A0A096MAA2_POEFO Loading...

Phosphodiesterase

Regulates mitochondrial cAMP levels and respiration. Involved in the regulation of mitochondria morphology/dynamics and apoptotic cell death via local modulation of cAMP/PKA signaling in the mitochondrion, including the monitoring of local cAMP levels at the outer mitochondrial membrane and of PKA-dependent phosphorylation of DNM1L. cGMP-activated cyclic nucleotide phosphodiesterase with a dual-specificity for the second messengers cAMP and cGMP, which are key regulators of many important physiological processes. Has a higher efficiency with cGMP compared to cAMP. Plays a role in cell growth and migration.

AlphaFold DB , UniProt , Accession A0A096MAA2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 951 aa.

						>A0A096MAA2_POEFO|A0A096MAA2
MTALERKKAKDLRGQQVFLRPEESSAPALGTRQSTTLSEQLQDALLRLAAVVDVRSLRVALRDSVQELLPSTECVCVFVLEGDSRLLCDDPPYEVPQEGKIRSAVEQQNRCECAGFPPSELPEKYRLFLAAPLPAHRRALVVPILDQDHTKVLAVLLVGCGPLSDQDELHLNVLGKHASVACVRIQAVQASYQRPPLSPSPLQSHNALLHLNVSEQDYCELDRNILQLCGELYDLDAASLQLKVINYLQQQTKSQCCCLLLVSEDNHQLFCQVVGDKVLEEEISFPLMFGRFGQVVEKKKSISLQDISAEERRQLSSMLGCEISSMLCVPVVSRATGHVVALACAFNKQGGQRHAEADEHVIQHCFCYTSTVLTSTLAFQKEQKLKVECQALLQVAKNLFTHLDDVSVLLQEIIVEARNLSDAEICSVFLLDRVSHELVAKVFDGGVVSDEENEFRIPADQGIAGHVATTGQILNIKDAYSHPLFYRGVDDSTGFRTRNILCFPIKDENNEVIGVAELVNKMNGPWFNRFDEDLATAFSIYCGISIAHSLLYKKVHEAQFRNTLANEMMMYHMKVSEEEVTKLLVTGIEPVKEIHPCFAEFTYTPRSLPDDTTPHGVLSMFEDMGFINTYKIDLHTLARFCLMVKKGYRDPPYHNWMHAFSVSHFCYLLYKNLGLSNYLEDIEILALFVSCMCHDLDHRGTNNSFQVASQSVLAALYSSEGSVMERHHFAQAIAILNTQGCNIFEKFSRKDYQRMLDLMREIILATDLAHHLRIFKDLQRMADDGYNTKSRNHHSLLLCLLMTSCDLSDQTKDWKTTRKIAELIYKEFFSQGDLEKAMGNRPSEMMDREKAYIPELQISFMEHIAMPIYKLLSELFPGATELYERVAANREQWTKVSHKFTIRGLPSNNSLDFLDQEYELLQSQGAFGSDDHCLNGCLDDTEGGLHPASND
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.3	Very low	29.5	Very low	241 Å²	241	177.7 Å²	177.7	100%	1.187	90%	0.896	S	S	*	*				0	120.7	0	-73.4	-167.7	-88.4	0	0	106
2	T	28.8	Very low	29.2	Very low	139 Å²	139	177.8 Å²	177.8	85%	0.853	90%	0.899	S	S	*	*			cis	-152.1	162.2	47.6	35.6	0	0	0	0	111.7	L4	T2-L4 PolarHBondContact O-N 2.88Å
3	A	31.3	Very low	28.7	Very low	101 Å²	101	183.2 Å²	183.2	84%	0.835	90%	0.902	S	S	*	*			trans	-90.1	82.2	-166.3	0	0	0	0	0	113.5
4	L	31.3	Very low	28.5	Very low	159 Å²	159	175.4 Å²	175.4	83%	0.832	89%	0.893	S	S	*	*			trans	-142	45.2	178.4	-144.1	93.1	0	0	0	115.1	T2	T2-L4 PolarHBondContact O-N 2.88Å
5	E	31.6	Very low	28.3	Very low	195 Å²	195	176.3 Å²	176.3	91%	0.911	89%	0.892	S	S	*	*	S	Bend	trans	-156.6	37.6	171.6	-116.5	165	-148.5	0	0	115
6	R	30	Very low	28.1	Very low	259 Å²	259	177.3 Å²	177.3	98%	0.977	89%	0.892	S	S	*	*			trans	-129.1	40.9	170.8	-87.2	-170.3	177.2	177	0.4	113.7
7	K	29.1	Very low	27.9	Very low	206 Å²	206	174.2 Å²	174.2	90%	0.896	88%	0.884	S	S	*	*			trans	-143.8	76.5	179.9	-142.5	-179.2	-170.7	-176.9	0	112.6
8	K	27.1	Very low	27.7	Very low	215 Å²	215	175.9 Å²	175.9	94%	0.935	89%	0.885	S	S	*	*	S	Bend	trans	-168.9	65.7	152.6	-108.5	173.7	-174.1	-175.9	0	112.1
9	A	27.7	Very low	27.5	Very low	93 Å²	93	174.7 Å²	174.7	77%	0.769	88%	0.88	S	S	*	*	S	Bend	trans	-158.5	74.9	158.6	0	0	0	0	0	108.5
10	K	26	Very low	27.5	Very low	196 Å²	196	178.2 Å²	178.2	85%	0.852	88%	0.883	S	S	*	*			trans	174.4	99.4	163.5	-102.4	166.4	-174.4	-177.9	0	108.3
11	D	25.5	Very low	27.3	Very low	151 Å²	151	175.3 Å²	175.3	81%	0.807	88%	0.877	S	S	*	*				173.5	127.2	125.5	-90.4	-18.3	0	0	0	109.6
12	L	25.3	Very low	26.7	Very low	179 Å²	179	172.6 Å²	172.6	94%	0.937	86%	0.861	S	S	*	*				-170.2	76.6	129.9	-94.5	160.4	0	0	0	107.7
13	R	23.8	Very low	26.7	Very low	247 Å²	247	175.7 Å²	175.7	93%	0.932	87%	0.866	S	S	*	*			trans	-81.5	115.1	154.5	-86.5	-175.5	177.3	-159.9	-1.3	107.2
14	G	25.6	Very low	26.4	Very low	75 Å²	75	176.2 Å²	176.2	77%	0.773	86%	0.864	S	S	*	*			trans	-104	122.9	163.9	0	0	0	0	0	109.5
15	Q	24.8	Very low	26	Very low	188 Å²	188	174 Å²	174	88%	0.879	86%	0.861	S	S	*	*			trans	-63.4	138.9	-178.9	-64.9	162.4	-37.7	0	0	112.6
16	Q	25	Very low	25.7	Very low	192 Å²	192	169 Å²	169	90%	0.897	85%	0.854	S	S	*	*			trans	-139.4	103.1	144.1	-90.3	-173	-4.9	0	0	110.8
17	V	25.6	Very low	25.4	Very low	125 Å²	125	162.8 Å²	162.8	76%	0.758	85%	0.847	S	S	*	*			trans	10.5	117.4	146.8	-173.2	0	0	0	0	117.7	L19	V17-L19 HydrophobicContact CG1-CG 4.47Å
18	F	23	Very low	25.2	Very low	206 Å²	206	157.3 Å²	157.3	90%	0.904	84%	0.84	S	S	*	*			trans	-69.1	120	159.5	-90.9	-95.9	0	0	0	110.5
19	L	23.9	Very low	25.4	Very low	152 Å²	152	155.8 Å²	155.8	80%	0.796	84%	0.841	S	S	*	*			trans	-111.6	122.7	154.9	-76.3	166.9	0	0	0	107.4	V17 P21	V17-L19 HydrophobicContact CG1-CG 4.47Å; L19-P21 WeakPolarHBondContact O-CD 3.28Å
20	R	27.6	Very low	25.2	Very low	244 Å²	244	154.5 Å²	154.5	92%	0.921	84%	0.837	S	S	*	*			trans	-68	139.9	167.9	-80.5	178.9	171.1	174.9	-3.9	109.4
21	P	24.9	Very low	25.2	Very low	119 Å²	119	151.8 Å²	151.8	77%	0.773	84%	0.837	S	S	*	*			trans	-119	117.3	143.1	9.2	12.3	0	0	0	110.2	L19	L19-P21 WeakPolarHBondContact O-CD 3.28Å
22	E	22.6	Very low	25.4	Very low	183 Å²	183	156.1 Å²	156.1	86%	0.855	84%	0.842	S	S	*	*			trans	26.5	130.6	134.9	-61.6	-178.4	161	0	0	120.4	S24	E22-S24 PolarHBondContact O-N 3.44Å
23	E	29.6	Very low	25.7	Very low	205 Å²	205	156.4 Å²	156.4	96%	0.958	84%	0.839	S	S	*	*			trans	-42.3	117.9	157.8	-65.8	172	153.9	0	0	110.9
24	S	24.1	Very low	26	Very low	112 Å²	112	150 Å²	150	78%	0.783	83%	0.831	S	S	*	*			trans	-126.8	127.3	159.6	62.9	0	0	0	0	109.6	E22	E22-S24 PolarHBondContact O-N 3.44Å
25	S	23.2	Very low	26.5	Very low	111 Å²	111	150.2 Å²	150.2	78%	0.776	82%	0.818	S	S	*	*			trans	-45.3	143.6	179	47.5	0	0	0	0	114.5
26	A	25.3	Very low	27.8	Very low	91 Å²	91	143.7 Å²	143.7	75%	0.752	79%	0.791	S	S	*	*			trans	-41.1	131	162	0	0	0	0	0	112	A28	A26-A28 PolarHBondContact O-N 3.37Å
27	P	24.4	Very low	28.8	Very low	128 Å²	128	138.3 Å²	138.3	83%	0.831	77%	0.768	S	S	*	*			trans	-75	124.2	161.7	28.4	-23.9	0	0	0	108
28	A	23.7	Very low	30.1	Very low	91 Å²	91	133.5 Å²	133.5	75%	0.752	74%	0.74	S	S	*	*			trans	-52.7	154.8	173.8	0	0	0	0	0	112.2	A26 G30	A26-A28 PolarHBondContact O-N 3.37Å; A28-G30 PolarHBondContact O-N 3.49Å
29	L	31.3	Very low	31.8	Very low	183 Å²	183	128.3 Å²	128.3	96%	0.958	72%	0.719	S	S	*	*			trans	-39.9	99.7	164.5	-92.4	79.2	0	0	0	110.6
30	G	23.3	Very low	33.9	Very low	66 Å²	66	122.6 Å²	122.6	68%	0.68	69%	0.688	S	S	*	*			trans	-86	120.2	164.1	0	0	0	0	0	108.4	A28 R32	A28-G30 PolarHBondContact O-N 3.49Å; G30-R32 PolarHBondContact O-N 3.47Å
31	T	27.4	Very low	35.8	Very low	140 Å²	140	111.8 Å²	111.8	86%	0.859	65%	0.648	S	S	*	*			trans	-37.8	115.2	169.8	31.2	0	0	0	0	112.4	Q33	T31-Q33 PolarHBondContact O-N 3.24Å
32	R	30	Very low	37.6	Very low	242 Å²	242	107.4 Å²	107.4	91%	0.913	62%	0.617	S	S	*	*			trans	-53.2	115.5	168.4	-80.8	179.7	171.5	178.3	-4.8	108.9	G30	G30-R32 PolarHBondContact O-N 3.47Å
33	Q	30	Very low	39.7	Very low	185 Å²	185	101.5 Å²	101.5	86%	0.864	59%	0.592	S	S	*	*			trans	-69.5	134.8	160	-76.7	179	-22	0	0	107.9	T31 T35	T31-Q33 PolarHBondContact O-N 3.24Å; Q33-T35 PolarHBondContact O-N 3.01Å; Q33-T35 VanDerWaalsContact O-N 3.12Å
34	S	31.9	Very low	41.9	Very low	111 Å²	111	91.8 Å²	91.8	78%	0.776	55%	0.546	S	S	*	.			trans	-59.2	103.8	-173.1	177.4	0	0	0	0	112.4
35	T	35.9	Very low	44.2	Very low	80 Å²	80	87 Å²	87	49%	0.491	51%	0.512	S	S	.	.			trans	-75	139.3	156.7	43.9	0	0	0	0	108.8	Q33 Q40	Q33-T35 PolarHBondContact O-N 3.01Å; Q33-T35 VanDerWaalsContact O-N 3.12Å; T35-Q40 PolarHBondContact OG1-NE2 2.92Å
36	T	50.4	Low	46.2	Very low	51 Å²	51	83.6 Å²	83.6	31%	0.313	49%	0.485	S	S	.	.			trans	-73.7	145.6	-174.8	63.4	0	0	0	0	111.1	S38 E39 Y218	T36-S38 PolarHBondContact O-N 2.88Å; T36-E39 PolarHBondContact O-N 3.04Å; T36-E39 VanDerWaalsContact O-N 3.08Å; T36-Y218 WeakPolarHBondContact CB-OH 3.49Å; T36-Y218 PolarHBondContact OG1-OH 3.27Å
37	L	46.2	Very low	48.6	Very low	79 Å²	79	83 Å²	83	41%	0.414	46%	0.463	S	S	.	.	H	α-helix	trans	-52.5	-23.7	-175.6	-100.9	119.6	0	0	0	114.9
38	S	53.3	Low	51	Low	24 Å²	24	77 Å²	77	17%	0.168	42%	0.424	C	S	.	.	H	α-helix	trans	-75.3	-36.5	-179.7	-175.6	0	0	0	0	113.4	T36 Q40 Q42 Y218 L226	T36-S38 PolarHBondContact O-N 2.88Å; S38-Q40 VanDerWaalsContact C-N 3.32Å; S38-Q42 WeakPolarHBondContact O-CG 3.49Å; S38-Q42 PolarHBondContact O-N 3.16Å; S38-Y218 WeakPolarHBondContact CB-OH 3.3Å; S38-L226 WeakPolarHBondContact OG-CD1 3.34Å
39	E	59.6	Low	52.9	Low	98 Å²	98	73.3 Å²	73.3	46%	0.458	39%	0.394	S	S	.	.	H	α-helix	trans	-71.1	-32.3	177.3	-67.2	175.6	149.7	0	0	111	T36 Q42 D43	T36-E39 PolarHBondContact O-N 3.04Å; T36-E39 VanDerWaalsContact O-N 3.08Å; E39-Q42 WeakPolarHBondContact O-CB 3.38Å; E39-Q42 PolarHBondContact O-N 3.36Å; E39-D43 PolarHBondContact O-N 2.95Å
40	Q	66.6	Low	54.6	Low	32 Å²	32	67.6 Å²	67.6	15%	0.15	37%	0.373	C	S	.	.	H	α-helix	trans	-63.7	-40.6	178.3	-71.9	174.2	-7.8	0	0	112.5	T35 S38 A44 E67	T35-Q40 PolarHBondContact OG1-NE2 2.92Å; S38-Q40 VanDerWaalsContact C-N 3.32Å; Q40-A44 VanDerWaalsContact O-CB 3.3Å; Q40-A44 WeakPolarHBondContact O-CB 3.44Å; Q40-A44 PolarHBondContact O-N 3.36Å; Q40-A44 VanDerWaalsContact O-N 3.09Å; Q40-E67 HydrophobicContact CB-CG 3.87Å; Q40-E67 HydrophobicContact CG-CG 3.82Å; Q40-E67 PolarHBondContact OE1-O 2.71Å
41	L	68.4	Low	56.9	Low	17 Å²	17	64.8 Å²	64.8	9%	0.089	34%	0.342	C	S	.	.	H	α-helix	trans	-66.7	-37.6	173.7	-177.4	62.5	0	0	0	111.9	A44 L45 L68 H170	L41-A44 WeakPolarHBondContact O-CB 3.39Å; L41-A44 PolarHBondContact O-N 3.02Å; L41-L45 HydrophobicContact CD1-CD1 4.47Å; L41-L45 HydrophobicContact CD1-CG 4.39Å; L41-L45 HydrophobicContact CG-CD1 4.27Å; L41-L45 VanDerWaalsContact O-CG 3.24Å; L41-L45 WeakPolarHBondContact O-CG 3.46Å; L41-L45 PolarHBondContact O-N 3.08Å; L41-L68 VanDerWaalsContact CA-CD2 3.47Å; L41-L68 HydrophobicContact CB-CD2 3.65Å; L41-L68 HydrophobicContact CD1-CD1 3.83Å; L41-L68 HydrophobicContact CD1-CD2 3.77Å; L41-L68 HydrophobicContact CD1-CG 4.43Å; L41-L68 HydrophobicContact CG-CD2 4.3Å; L41-H170 HydrophobicContact CD1-CB 4.45Å
42	Q	62	Low	58.5	Low	26 Å²	26	63.2 Å²	63.2	12%	0.121	33%	0.332	C	S	.	.	H	α-helix	trans	-65.6	-48.4	179.4	-67.3	170.4	-15.8	0	0	111.7	S38 E39 A44 L45 L46 L226	S38-Q42 WeakPolarHBondContact O-CG 3.49Å; S38-Q42 PolarHBondContact O-N 3.16Å; E39-Q42 WeakPolarHBondContact O-CB 3.38Å; E39-Q42 PolarHBondContact O-N 3.36Å; Q42-A44 VanDerWaalsContact C-N 3.27Å; Q42-A44 PolarHBondContact O-N 3Å; Q42-L45 PolarHBondContact O-N 3.12Å; Q42-L46 WeakPolarHBondContact O-CG 3.05Å; Q42-L46 PolarHBondContact O-N 3.2Å; Q42-L226 HydrophobicContact CG-CD2 3.43Å; Q42-L226 VanDerWaalsContact CG-CD2 3.43Å; Q42-L226 HydrophobicContact CG-CG 4.25Å
43	D	68.3	Low	60.4	Low	60 Å²	60	54.8 Å²	54.8	32%	0.321	31%	0.305	S	S	.	.	H	α-helix	trans	-59.2	-41.4	176.5	-99.5	22.7	0	0	0	111.5	E39 L45 L46 R47	E39-D43 PolarHBondContact O-N 2.95Å; D43-L45 PolarHBondContact O-N 3.25Å; D43-L46 PolarHBondContact O-N 2.99Å; D43-R47 WeakPolarHBondContact O-CB 3.45Å; D43-R47 WeakPolarHBondContact O-CG 3.48Å; D43-R47 PolarHBondContact O-N 3.09Å; D43-R47 IonicContact OD2-NH2 3.46Å; D43-R47 PolarHBondContact OD2-NH2 2.92Å; D43-R47 VanDerWaalsContact OD2-NH2 3.08Å
44	A	74.6	Confident	62.4	Low	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.2	-42.7	175.9	0	0	0	0	0	113	Q40 L41 Q42 L48 S64 L68 L174	Q40-A44 VanDerWaalsContact O-CB 3.3Å; Q40-A44 WeakPolarHBondContact O-CB 3.44Å; Q40-A44 PolarHBondContact O-N 3.36Å; Q40-A44 VanDerWaalsContact O-N 3.09Å; L41-A44 WeakPolarHBondContact O-CB 3.39Å; L41-A44 PolarHBondContact O-N 3.02Å; Q42-A44 VanDerWaalsContact C-N 3.27Å; Q42-A44 PolarHBondContact O-N 3Å; A44-L48 WeakPolarHBondContact O-CG 3.34Å; A44-L48 PolarHBondContact O-N 3.36Å; A44-S64 VanDerWaalsContact CA-OG 3.26Å; A44-S64 WeakPolarHBondContact CA-OG 3.48Å; A44-S64 WeakPolarHBondContact CB-OG 3.5Å; A44-S64 PolarHBondContact O-OG 3.49Å; A44-S64 VanDerWaalsContact O-OG 3.13Å; A44-L68 HydrophobicContact CB-CD1 3.96Å; A44-L68 HydrophobicContact CB-CG 4.22Å; A44-L174 HydrophobicContact CB-CD1 4.22Å
45	L	71.9	Confident	64.4	Low	12 Å²	12	50.8 Å²	50.8	6%	0.063	27%	0.267	C	S	.	.	H	α-helix	trans	-72.2	-39.9	179.5	-63.9	174.6	0	0	0	112.2	L41 Q42 D43 R47 L48 A49 V173 H177 C229	L41-L45 HydrophobicContact CD1-CD1 4.47Å; L41-L45 HydrophobicContact CD1-CG 4.39Å; L41-L45 HydrophobicContact CG-CD1 4.27Å; L41-L45 VanDerWaalsContact O-CG 3.24Å; L41-L45 WeakPolarHBondContact O-CG 3.46Å; L41-L45 PolarHBondContact O-N 3.08Å; Q42-L45 PolarHBondContact O-N 3.12Å; D43-L45 PolarHBondContact O-N 3.25Å; L45-R47 VanDerWaalsContact C-N 3.34Å; L45-L48 PolarHBondContact O-N 3.29Å; L45-A49 PolarHBondContact O-N 2.83Å; L45-V173 HydrophobicContact CD1-CG1 4.24Å; L45-V173 HydrophobicContact CD2-CG1 4.19Å; L45-H177 HydrophobicContact CD2-CB 3.8Å; L45-C229 HydrophobicContact CD1-CB 4.48Å
46	L	66.4	Low	66.4	Low	40 Å²	40	48.7 Å²	48.7	21%	0.209	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-40.7	175.4	-74.3	174.3	0	0	0	111.8	Q42 D43 L48 A49 A50 Y368	Q42-L46 WeakPolarHBondContact O-CG 3.05Å; Q42-L46 PolarHBondContact O-N 3.2Å; D43-L46 PolarHBondContact O-N 2.99Å; L46-L48 VanDerWaalsContact C-N 3.32Å; L46-L48 PolarHBondContact O-N 3.08Å; L46-A49 PolarHBondContact O-N 2.62Å; L46-A50 WeakPolarHBondContact O-CB 3.46Å; L46-A50 PolarHBondContact O-N 3.38Å; L46-Y368 HydrophobicContact CD1-CD1 4.29Å
47	R	74.4	Confident	67.9	Low	79 Å²	79	46.3 Å²	46.3	30%	0.298	24%	0.241	S	C	.	.	H	α-helix	trans	-60.2	-41.8	175.2	-74.9	171.5	-160.6	162.5	19.9	111.5	D43 L45 A50 V51 A60 E67	D43-R47 WeakPolarHBondContact O-CB 3.45Å; D43-R47 WeakPolarHBondContact O-CG 3.48Å; D43-R47 PolarHBondContact O-N 3.09Å; D43-R47 IonicContact OD2-NH2 3.46Å; D43-R47 PolarHBondContact OD2-NH2 2.92Å; D43-R47 VanDerWaalsContact OD2-NH2 3.08Å; L45-R47 VanDerWaalsContact C-N 3.34Å; R47-A50 PolarHBondContact O-N 3.3Å; R47-V51 WeakPolarHBondContact O-CG2 3.5Å; R47-A60 HydrophobicContact CB-CB 4.43Å; R47-E67 IonicContact CZ-OE1 2.66Å; R47-E67 IonicContact CZ-OE2 3.89Å; R47-E67 IonicContact NH1-OE1 3.16Å; R47-E67 IonicContact NH1-OE2 3.48Å; R47-E67 PolarHBondContact NH1-OE2 2.9Å; R47-E67 VanDerWaalsContact NH2-CD 3.34Å; R47-E67 IonicContact NH2-OE1 2.91Å; R47-E67 PolarHBondContact NH2-OE1 3.05Å; R47-E67 IonicContact NH2-OE2 2.65Å; R47-E67 PolarHBondContact NH2-OE2 3.1Å
48	L	74.6	Confident	69.4	Low	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-68	-37.8	175.7	-71.4	178.1	0	0	0	113.2	A44 L45 L46 A50 V51 L57 A60 L61 L174 H177 A178	A44-L48 WeakPolarHBondContact O-CG 3.34Å; A44-L48 PolarHBondContact O-N 3.36Å; L45-L48 PolarHBondContact O-N 3.29Å; L46-L48 VanDerWaalsContact C-N 3.32Å; L46-L48 PolarHBondContact O-N 3.08Å; L48-A50 VanDerWaalsContact C-N 3.29Å; L48-A50 PolarHBondContact O-N 3.01Å; L48-V51 WeakPolarHBondContact O-CG2 3.47Å; L48-V51 PolarHBondContact O-N 2.85Å; L48-L57 HydrophobicContact CD2-CD1 4.42Å; L48-A60 HydrophobicContact CD2-CB 4Å; L48-L61 HydrophobicContact CD1-CD2 4.35Å; L48-L61 HydrophobicContact CD2-CD2 3.61Å; L48-L61 HydrophobicContact CD2-CG 3.88Å; L48-L174 HydrophobicContact CD1-CD1 3.46Å; L48-L174 VanDerWaalsContact CD1-CD1 3.46Å; L48-L174 HydrophobicContact CD1-CG 4.2Å; L48-H177 HydrophobicContact CD1-CB 4.23Å; L48-A178 HydrophobicContact CD1-CB 4.28Å
49	A	65.2	Low	70.7	Confident	14 Å²	14	45.9 Å²	45.9	12%	0.116	24%	0.237	C	C	.	.	H	α-helix	trans	-66.5	-31.9	177.9	0	0	0	0	0	112.8	L45 L46 V51 R184 T371 V372	L45-A49 PolarHBondContact O-N 2.83Å; L46-A49 PolarHBondContact O-N 2.62Å; A49-V51 VanDerWaalsContact C-N 3.33Å; A49-R184 PolarHBondContact O-NH1 2.91Å; A49-R184 VanDerWaalsContact O-NH1 3.12Å; A49-R184 PolarHBondContact O-NH2 3.16Å; A49-T371 HydrophobicContact CB-CG2 4.12Å; A49-V372 HydrophobicContact CB-CB 4.21Å
50	A	66.8	Low	71.7	Confident	63 Å²	63	41.6 Å²	41.6	52%	0.521	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-2	-178	0	0	0	0	0	114.6	L46 R47 L48 T371	L46-A50 WeakPolarHBondContact O-CB 3.46Å; L46-A50 PolarHBondContact O-N 3.38Å; R47-A50 PolarHBondContact O-N 3.3Å; L48-A50 VanDerWaalsContact C-N 3.29Å; L48-A50 PolarHBondContact O-N 3.01Å; A50-T371 HydrophobicContact CB-CG2 4.46Å
51	V	71.3	Confident	72.5	Confident	7 Å²	7	40.1 Å²	40.1	4%	0.042	21%	0.212	C	C	.	.			trans	-71.3	136.8	-177.7	-172.2	0	0	0	0	111.3	R47 L48 A49 D53 S56 L57 A60 I185	R47-V51 WeakPolarHBondContact O-CG2 3.5Å; L48-V51 WeakPolarHBondContact O-CG2 3.47Å; L48-V51 PolarHBondContact O-N 2.85Å; A49-V51 VanDerWaalsContact C-N 3.33Å; V51-D53 VanDerWaalsContact CG1-O 3.31Å; V51-D53 WeakPolarHBondContact CG1-O 3.49Å; V51-S56 WeakPolarHBondContact CG1-OG 3.41Å; V51-L57 VanDerWaalsContact CG1-CA 3.43Å; V51-L57 HydrophobicContact CG1-CB 3.72Å; V51-L57 HydrophobicContact CG1-CD1 4.26Å; V51-L57 HydrophobicContact CG2-CD1 4.44Å; V51-A60 HydrophobicContact CG2-CB 3.67Å; V51-I185 HydrophobicContact CB-CD1 3.88Å; V51-I185 HydrophobicContact CG1-CD1 3.21Å; V51-I185 HydrophobicContact CG1-CG1 4.38Å
52	V	61.9	Low	73.2	Confident	106 Å²	106	41.6 Å²	41.6	64%	0.642	22%	0.216	S	C	*	.			trans	-122.2	-14.4	-178.7	-66.4	0	0	0	0	114
53	D	68	Low	74.1	Confident	66 Å²	66	43.3 Å²	43.3	35%	0.353	23%	0.226	S	C	.	.	S	Bend	trans	-148.1	165.9	-178.5	72.1	81.5	0	0	0	112.4	V51 R55 S56 L57	V51-D53 VanDerWaalsContact CG1-O 3.31Å; V51-D53 WeakPolarHBondContact CG1-O 3.49Å; D53-R55 VanDerWaalsContact C-N 3.32Å; D53-R55 PolarHBondContact O-N 3.47Å; D53-R55 VanDerWaalsContact OD1-CA 3.31Å; D53-R55 WeakPolarHBondContact OD1-CA 3.45Å; D53-R55 WeakPolarHBondContact OD1-CB 3.24Å; D53-R55 PolarHBondContact OD1-N 3.22Å; D53-S56 PolarHBondContact N-OG 3.27Å; D53-S56 VanDerWaalsContact N-OG 3.15Å; D53-S56 PolarHBondContact O-N 3.15Å; D53-S56 PolarHBondContact O-OG 2.98Å; D53-S56 PolarHBondContact OD1-N 2.94Å; D53-S56 PolarHBondContact OD1-OG 3.41Å; D53-S56 WeakPolarHBondContact OD2-CB 3.29Å; D53-S56 PolarHBondContact OD2-OG 2.92Å; D53-L57 WeakPolarHBondContact O-CB 3.49Å; D53-L57 PolarHBondContact O-N 3.47Å
54	V	73.1	Confident	74.8	Confident	13 Å²	13	40.4 Å²	40.4	8%	0.079	21%	0.211	C	C	.	.	H	α-helix	trans	-66.4	-29.8	-176.8	164.8	0	0	0	0	113.7	L57 R58 V79 I185 Q189	V54-L57 WeakPolarHBondContact O-CB 3.32Å; V54-L57 PolarHBondContact O-N 3.03Å; V54-R58 HydrophobicContact CG1-CG 4.47Å; V54-R58 WeakPolarHBondContact O-CG 3.29Å; V54-R58 PolarHBondContact O-N 3.05Å; V54-R58 VanDerWaalsContact O-N 3.07Å; V54-V79 HydrophobicContact CG1-CG1 4.5Å; V54-V79 HydrophobicContact CG1-CG2 4.38Å; V54-I185 HydrophobicContact CB-CG2 4.36Å; V54-I185 HydrophobicContact CG2-CG2 3.38Å; V54-Q189 HydrophobicContact CG2-CG 4.25Å
55	R	74.1	Confident	75.2	Confident	198 Å²	198	40.4 Å²	40.4	75%	0.747	21%	0.211	S	C	*	.	H	α-helix	trans	-71	-44.8	178.1	-171.8	-178.9	179.1	-178.8	0.3	109.9	D53 L57 R58 V59	D53-R55 VanDerWaalsContact C-N 3.32Å; D53-R55 PolarHBondContact O-N 3.47Å; D53-R55 VanDerWaalsContact OD1-CA 3.31Å; D53-R55 WeakPolarHBondContact OD1-CA 3.45Å; D53-R55 WeakPolarHBondContact OD1-CB 3.24Å; D53-R55 PolarHBondContact OD1-N 3.22Å; R55-L57 VanDerWaalsContact C-N 3.29Å; R55-L57 PolarHBondContact O-N 3.09Å; R55-R58 PolarHBondContact O-N 3.2Å; R55-V59 WeakPolarHBondContact O-CG2 3.25Å; R55-V59 PolarHBondContact O-N 3.37Å
56	S	77.2	Confident	75.7	Confident	36 Å²	36	43.8 Å²	43.8	25%	0.252	23%	0.226	S	C	.	.	H	α-helix	trans	-64.3	-33	173.2	51.4	0	0	0	0	112.1	V51 D53 V59 A60	V51-S56 WeakPolarHBondContact CG1-OG 3.41Å; D53-S56 PolarHBondContact N-OG 3.27Å; D53-S56 VanDerWaalsContact N-OG 3.15Å; D53-S56 PolarHBondContact O-N 3.15Å; D53-S56 PolarHBondContact O-OG 2.98Å; D53-S56 PolarHBondContact OD1-N 2.94Å; D53-S56 PolarHBondContact OD1-OG 3.41Å; D53-S56 WeakPolarHBondContact OD2-CB 3.29Å; D53-S56 PolarHBondContact OD2-OG 2.92Å; S56-V59 PolarHBondContact O-N 3.34Å; S56-A60 VanDerWaalsContact O-CB 3.27Å; S56-A60 WeakPolarHBondContact O-CB 3.43Å; S56-A60 PolarHBondContact O-N 3.44Å
57	L	81.3	Confident	76.3	Confident	2 Å²	2	44 Å²	44	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-48	174.5	-174.5	61.6	0	0	0	112.4	L48 V51 D53 V54 R55 V59 A60 L61 A181 I185	L48-L57 HydrophobicContact CD2-CD1 4.42Å; V51-L57 VanDerWaalsContact CG1-CA 3.43Å; V51-L57 HydrophobicContact CG1-CB 3.72Å; V51-L57 HydrophobicContact CG1-CD1 4.26Å; V51-L57 HydrophobicContact CG2-CD1 4.44Å; D53-L57 WeakPolarHBondContact O-CB 3.49Å; D53-L57 PolarHBondContact O-N 3.47Å; V54-L57 WeakPolarHBondContact O-CB 3.32Å; V54-L57 PolarHBondContact O-N 3.03Å; R55-L57 VanDerWaalsContact C-N 3.29Å; R55-L57 PolarHBondContact O-N 3.09Å; L57-V59 VanDerWaalsContact C-N 3.31Å; L57-V59 PolarHBondContact O-N 3.05Å; L57-A60 PolarHBondContact O-N 3.23Å; L57-L61 HydrophobicContact CD1-CD1 4.07Å; L57-L61 HydrophobicContact CD1-CG 4.28Å; L57-L61 HydrophobicContact CG-CD1 3.9Å; L57-L61 HydrophobicContact CG-CG 4.48Å; L57-L61 WeakPolarHBondContact O-CB 3.45Å; L57-L61 WeakPolarHBondContact O-CG 3.37Å; L57-L61 PolarHBondContact O-N 3.32Å; L57-A181 HydrophobicContact CD1-CB 3.82Å; L57-I185 HydrophobicContact CB-CD1 3.74Å; L57-I185 HydrophobicContact CD1-CD1 3.84Å; L57-I185 HydrophobicContact CD2-CD1 3.91Å; L57-I185 HydrophobicContact CG-CD1 4.01Å
58	R	79.6	Confident	76.4	Confident	25 Å²	25	40.3 Å²	40.3	9%	0.094	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-38.2	-179	-71.4	173	-176	-166.9	0.8	111.7	V54 R55 R62 V77 V79 L87 D89	V54-R58 HydrophobicContact CG1-CG 4.47Å; V54-R58 WeakPolarHBondContact O-CG 3.29Å; V54-R58 PolarHBondContact O-N 3.05Å; V54-R58 VanDerWaalsContact O-N 3.07Å; R55-R58 PolarHBondContact O-N 3.2Å; R58-R62 VanDerWaalsContact O-CB 3.31Å; R58-R62 WeakPolarHBondContact O-CB 3.35Å; R58-R62 PolarHBondContact O-N 2.96Å; R58-R62 VanDerWaalsContact O-N 3.12Å; R58-V77 HydrophobicContact CB-CG1 4.44Å; R58-V77 HydrophobicContact CG-CB 4.49Å; R58-V77 HydrophobicContact CG-CG1 4.09Å; R58-V79 HydrophobicContact CG-CG2 3.71Å; R58-L87 PolarHBondContact NH2-O 3.09Å; R58-D89 IonicContact CZ-OD1 2.7Å; R58-D89 IonicContact CZ-OD2 3.46Å; R58-D89 IonicContact NH1-OD1 2.79Å; R58-D89 PolarHBondContact NH1-OD1 2.87Å; R58-D89 IonicContact NH1-OD2 2.99Å; R58-D89 PolarHBondContact NH1-OD2 3.35Å; R58-D89 IonicContact NH2-OD1 3.08Å
59	V	79.7	Confident	76.6	Confident	68 Å²	68	40.3 Å²	40.3	41%	0.412	21%	0.212	S	C	.	.	H	α-helix	trans	-68.3	-49.4	175.5	175.1	0	0	0	0	110.3	R55 S56 L57 L61 R62 D63	R55-V59 WeakPolarHBondContact O-CG2 3.25Å; R55-V59 PolarHBondContact O-N 3.37Å; S56-V59 PolarHBondContact O-N 3.34Å; L57-V59 VanDerWaalsContact C-N 3.31Å; L57-V59 PolarHBondContact O-N 3.05Å; V59-L61 PolarHBondContact O-N 3.27Å; V59-R62 PolarHBondContact O-N 3.37Å; V59-D63 WeakPolarHBondContact CG1-OD2 3.47Å; V59-D63 WeakPolarHBondContact O-CB 3.47Å; V59-D63 VanDerWaalsContact O-CG 3.28Å; V59-D63 PolarHBondContact O-N 3.23Å
60	A	79.9	Confident	76.5	Confident	9 Å²	9	44.5 Å²	44.5	7%	0.074	24%	0.238	C	C	.	.	H	α-helix	trans	-58.3	-46.3	178.7	0	0	0	0	0	111.8	R47 L48 V51 S56 L57 R62 D63 S64	R47-A60 HydrophobicContact CB-CB 4.43Å; L48-A60 HydrophobicContact CD2-CB 4Å; V51-A60 HydrophobicContact CG2-CB 3.67Å; S56-A60 VanDerWaalsContact O-CB 3.27Å; S56-A60 WeakPolarHBondContact O-CB 3.43Å; S56-A60 PolarHBondContact O-N 3.44Å; L57-A60 PolarHBondContact O-N 3.23Å; A60-R62 PolarHBondContact O-N 2.87Å; A60-D63 PolarHBondContact O-N 3.42Å; A60-S64 WeakPolarHBondContact O-CB 3.48Å; A60-S64 PolarHBondContact O-N 2.93Å; A60-S64 PolarHBondContact O-OG 3.07Å
61	L	83.4	Confident	76.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-42.3	176.7	-73.3	169.4	0	0	0	112.7	L48 L57 V59 V65 V77 I144 L156 A178	L48-L61 HydrophobicContact CD1-CD2 4.35Å; L48-L61 HydrophobicContact CD2-CD2 3.61Å; L48-L61 HydrophobicContact CD2-CG 3.88Å; L57-L61 HydrophobicContact CD1-CD1 4.07Å; L57-L61 HydrophobicContact CD1-CG 4.28Å; L57-L61 HydrophobicContact CG-CD1 3.9Å; L57-L61 HydrophobicContact CG-CG 4.48Å; L57-L61 WeakPolarHBondContact O-CB 3.45Å; L57-L61 WeakPolarHBondContact O-CG 3.37Å; L57-L61 PolarHBondContact O-N 3.32Å; V59-L61 PolarHBondContact O-N 3.27Å; L61-V65 VanDerWaalsContact O-CG2 3.23Å; L61-V65 WeakPolarHBondContact O-CG2 3.31Å; L61-V65 PolarHBondContact O-N 3.3Å; L61-V65 VanDerWaalsContact O-N 3.16Å; L61-V77 HydrophobicContact CB-CG1 4.36Å; L61-V77 HydrophobicContact CB-CG2 4.15Å; L61-V77 HydrophobicContact CD1-CG1 3.95Å; L61-I144 HydrophobicContact CD1-CD1 4.13Å; L61-I144 HydrophobicContact CD2-CD1 4.12Å; L61-L156 HydrophobicContact CB-CD2 4.16Å; L61-L156 HydrophobicContact CD1-CD2 4.44Å; L61-A178 HydrophobicContact CD2-CB 3.46Å; L61-A178 VanDerWaalsContact CD2-CB 3.46Å
62	R	83.6	Confident	76.8	Confident	49 Å²	49	44.9 Å²	44.9	19%	0.185	24%	0.237	C	C	.	.	H	α-helix	trans	-62.1	-52.3	177.8	-179.5	-168.4	-63.4	-177.5	-2.9	111	R58 V59 A60 V65 Q66 V75 V77 D90	R58-R62 VanDerWaalsContact O-CB 3.31Å; R58-R62 WeakPolarHBondContact O-CB 3.35Å; R58-R62 PolarHBondContact O-N 2.96Å; R58-R62 VanDerWaalsContact O-N 3.12Å; V59-R62 PolarHBondContact O-N 3.37Å; A60-R62 PolarHBondContact O-N 2.87Å; R62-V65 PolarHBondContact O-N 3.15Å; R62-Q66 WeakPolarHBondContact O-CG 3.37Å; R62-Q66 PolarHBondContact O-N 3.18Å; R62-V75 HydrophobicContact CG-CB 4.18Å; R62-V77 HydrophobicContact CB-CG2 4.19Å; R62-D90 IonicContact CZ-OD2 3.87Å; R62-D90 IonicContact NH1-OD2 3.41Å; R62-D90 PolarHBondContact NH1-OD2 3.41Å; R62-D90 IonicContact NH2-OD2 2.8Å; R62-D90 PolarHBondContact NH2-OD2 3.45Å
63	D	81.7	Confident	77.3	Confident	61 Å²	61	43.3 Å²	43.3	33%	0.326	22%	0.222	S	C	.	.	H	α-helix	trans	-67.9	-40.6	-174.5	-65.3	-8.9	0	0	0	110.7	V59 A60 V65 Q66 E67	V59-D63 WeakPolarHBondContact CG1-OD2 3.47Å; V59-D63 WeakPolarHBondContact O-CB 3.47Å; V59-D63 VanDerWaalsContact O-CG 3.28Å; V59-D63 PolarHBondContact O-N 3.23Å; A60-D63 PolarHBondContact O-N 3.42Å; D63-V65 PolarHBondContact O-N 3.4Å; D63-Q66 PolarHBondContact O-N 2.66Å; D63-E67 VanDerWaalsContact O-CB 3.29Å; D63-E67 WeakPolarHBondContact O-CB 3.44Å; D63-E67 PolarHBondContact O-N 2.85Å
64	S	82.9	Confident	77.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.2	-41.4	175.9	-69.3	0	0	0	0	112.6	A44 A60 L68	A44-S64 VanDerWaalsContact CA-OG 3.26Å; A44-S64 WeakPolarHBondContact CA-OG 3.48Å; A44-S64 WeakPolarHBondContact CB-OG 3.5Å; A44-S64 PolarHBondContact O-OG 3.49Å; A44-S64 VanDerWaalsContact O-OG 3.13Å; A60-S64 WeakPolarHBondContact O-CB 3.48Å; A60-S64 PolarHBondContact O-N 2.93Å; A60-S64 PolarHBondContact O-OG 3.07Å; S64-L68 VanDerWaalsContact O-CB 3.3Å; S64-L68 WeakPolarHBondContact O-CB 3.4Å; S64-L68 WeakPolarHBondContact O-CD1 3.45Å; S64-L68 VanDerWaalsContact O-CG 3.27Å; S64-L68 WeakPolarHBondContact O-CG 3.41Å; S64-L68 PolarHBondContact O-N 3.09Å; S64-L68 VanDerWaalsContact O-N 3.07Å
65	V	83.1	Confident	78.4	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-70.1	-40.5	177	174.6	0	0	0	0	111.3	L61 R62 D63 E67 L68 L69 V75 L156 V158 L174	L61-V65 VanDerWaalsContact O-CG2 3.23Å; L61-V65 WeakPolarHBondContact O-CG2 3.31Å; L61-V65 PolarHBondContact O-N 3.3Å; L61-V65 VanDerWaalsContact O-N 3.16Å; R62-V65 PolarHBondContact O-N 3.15Å; D63-V65 PolarHBondContact O-N 3.4Å; V65-E67 VanDerWaalsContact C-N 3.3Å; V65-E67 PolarHBondContact O-N 3.31Å; V65-L68 PolarHBondContact O-N 3.33Å; V65-L69 HydrophobicContact CG1-CD1 4.01Å; V65-L69 WeakPolarHBondContact O-CB 3.21Å; V65-L69 PolarHBondContact O-N 3.49Å; V65-V75 HydrophobicContact CB-CG1 4.23Å; V65-V75 HydrophobicContact CB-CG2 3.97Å; V65-V75 HydrophobicContact CG1-CG1 4.27Å; V65-V75 HydrophobicContact CG1-CG2 3.57Å; V65-L156 HydrophobicContact CG2-CD1 4.15Å; V65-V158 HydrophobicContact CG1-CG1 4.18Å; V65-V158 HydrophobicContact CG1-CG2 3.93Å; V65-L174 HydrophobicContact CG2-CD2 3.53Å
66	Q	82.1	Confident	78.8	Confident	83 Å²	83	30.6 Å²	30.6	39%	0.388	17%	0.17	S	C	.	.	H	α-helix	trans	-66.8	-32.2	177.9	-74.6	-177.2	-18.3	0	0	113.1	R62 D63 T72 V75	R62-Q66 WeakPolarHBondContact O-CG 3.37Å; R62-Q66 PolarHBondContact O-N 3.18Å; D63-Q66 PolarHBondContact O-N 2.66Å; Q66-T72 HydrophobicContact CG-CG2 4.49Å; Q66-V75 HydrophobicContact CG-CG2 3.77Å
67	E	78.5	Confident	79	Confident	44 Å²	44	29 Å²	29	21%	0.206	16%	0.158	C	C	.	.	H	α-helix	trans	-76.4	-39.9	177.8	-171.9	169.5	-139.9	0	0	112.1	Q40 R47 D63 V65	Q40-E67 HydrophobicContact CB-CG 3.87Å; Q40-E67 HydrophobicContact CG-CG 3.82Å; Q40-E67 PolarHBondContact OE1-O 2.71Å; R47-E67 IonicContact CZ-OE1 2.66Å; R47-E67 IonicContact CZ-OE2 3.89Å; R47-E67 IonicContact NH1-OE1 3.16Å; R47-E67 IonicContact NH1-OE2 3.48Å; R47-E67 PolarHBondContact NH1-OE2 2.9Å; R47-E67 VanDerWaalsContact NH2-CD 3.34Å; R47-E67 IonicContact NH2-OE1 2.91Å; R47-E67 PolarHBondContact NH2-OE1 3.05Å; R47-E67 IonicContact NH2-OE2 2.65Å; R47-E67 PolarHBondContact NH2-OE2 3.1Å; D63-E67 VanDerWaalsContact O-CB 3.29Å; D63-E67 WeakPolarHBondContact O-CB 3.44Å; D63-E67 PolarHBondContact O-N 2.85Å; V65-E67 VanDerWaalsContact C-N 3.3Å; V65-E67 PolarHBondContact O-N 3.31Å
68	L	75.7	Confident	79.1	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-74.2	-29	179.4	-78.6	172.6	0	0	0	114.3	L41 A44 S64 V65 P70 H170 L174	L41-L68 VanDerWaalsContact CA-CD2 3.47Å; L41-L68 HydrophobicContact CB-CD2 3.65Å; L41-L68 HydrophobicContact CD1-CD1 3.83Å; L41-L68 HydrophobicContact CD1-CD2 3.77Å; L41-L68 HydrophobicContact CD1-CG 4.43Å; L41-L68 HydrophobicContact CG-CD2 4.3Å; A44-L68 HydrophobicContact CB-CD1 3.96Å; A44-L68 HydrophobicContact CB-CG 4.22Å; S64-L68 VanDerWaalsContact O-CB 3.3Å; S64-L68 WeakPolarHBondContact O-CB 3.4Å; S64-L68 WeakPolarHBondContact O-CD1 3.45Å; S64-L68 VanDerWaalsContact O-CG 3.27Å; S64-L68 WeakPolarHBondContact O-CG 3.41Å; S64-L68 PolarHBondContact O-N 3.09Å; S64-L68 VanDerWaalsContact O-N 3.07Å; V65-L68 PolarHBondContact O-N 3.33Å; L68-P70 WeakPolarHBondContact O-CD 3.49Å; L68-H170 HydrophobicContact CD2-CB 4.29Å; L68-L174 HydrophobicContact CD1-CB 4.33Å; L68-L174 HydrophobicContact CD1-CD1 4.06Å; L68-L174 HydrophobicContact CD1-CD2 4.09Å; L68-L174 HydrophobicContact CD1-CG 4.4Å
69	L	79.5	Confident	79.1	Confident	1 Å²	1	28 Å²	28	1%	0.005	16%	0.155	C	C	.	.			trans	-119.4	88.4	-176.5	-62.9	179.5	0	0	0	109.8	V65 S71 T72 V158 L163 D167 L171	V65-L69 HydrophobicContact CG1-CD1 4.01Å; V65-L69 WeakPolarHBondContact O-CB 3.21Å; V65-L69 PolarHBondContact O-N 3.49Å; L69-S71 PolarHBondContact O-N 3.5Å; L69-S71 VanDerWaalsContact O-N 3.1Å; L69-T72 WeakPolarHBondContact CB-OG1 3.31Å; L69-T72 WeakPolarHBondContact O-CB 3.26Å; L69-T72 PolarHBondContact O-N 3.36Å; L69-T72 PolarHBondContact O-OG1 3.19Å; L69-V158 HydrophobicContact CD1-CG1 4.3Å; L69-L163 HydrophobicContact CD1-CD2 4.37Å; L69-L163 HydrophobicContact CD2-CD2 4.1Å; L69-D167 HydrophobicContact CD2-CB 3.52Å; L69-L171 HydrophobicContact CD1-CD1 4.12Å; L69-L171 HydrophobicContact CD1-CD2 4.03Å; L69-L171 HydrophobicContact CD1-CG 4.27Å
70	P	63.6	Low	79.1	Confident	102 Å²	102	25.6 Å²	25.6	66%	0.662	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-18	-174.9	22.2	-32	0	0	0	114.1	L68 T72	L68-P70 WeakPolarHBondContact O-CD 3.49Å; P70-T72 VanDerWaalsContact C-N 3.29Å
71	S	66.6	Low	78.7	Confident	55 Å²	55	30.1 Å²	30.1	39%	0.385	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	12.3	173.1	56.6	0	0	0	0	114.2	L69 C160	L69-S71 PolarHBondContact O-N 3.5Å; L69-S71 VanDerWaalsContact O-N 3.1Å; S71-C160 WeakPolarHBondContact O-CA 3.22Å
72	T	76.4	Confident	77.8	Confident	24 Å²	24	32.8 Å²	32.8	15%	0.147	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	122.6	-179.2	-57.8	0	0	0	0	111.4	Q66 L69 P70 C74 V75 V158	Q66-T72 HydrophobicContact CG-CG2 4.49Å; L69-T72 WeakPolarHBondContact CB-OG1 3.31Å; L69-T72 WeakPolarHBondContact O-CB 3.26Å; L69-T72 PolarHBondContact O-N 3.36Å; L69-T72 PolarHBondContact O-OG1 3.19Å; P70-T72 VanDerWaalsContact C-N 3.29Å; T72-C74 WeakPolarHBondContact CG2-O 3.38Å; T72-V75 HydrophobicContact CG2-CG2 3.45Å; T72-V75 VanDerWaalsContact CG2-CG2 3.45Å; T72-V158 HydrophobicContact CG2-CG1 3.76Å
73	E	74.3	Confident	76.6	Confident	73 Å²	73	37 Å²	37	34%	0.341	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-33.3	177.7	-59.5	-173.5	166.4	0	0	111.6	F128 R137 G159	E73-F128 HydrophobicContact CB-CD1 4.27Å; E73-R137 VanDerWaalsContact CD-NE 3.27Å; E73-R137 IonicContact OE1-CZ 3.73Å; E73-R137 IonicContact OE1-NE 2.71Å; E73-R137 PolarHBondContact OE1-NE 3.33Å; E73-R137 IonicContact OE1-NH2 2.71Å; E73-R137 PolarHBondContact OE1-NH2 3.38Å; E73-R137 WeakPolarHBondContact OE2-CD 3.23Å; E73-R137 IonicContact OE2-CZ 3.79Å; E73-R137 IonicContact OE2-NE 3.41Å; E73-R137 PolarHBondContact OE2-NE 2.84Å; E73-R137 IonicContact OE2-NH1 2.9Å; E73-R137 PolarHBondContact OE2-NH1 3.26Å; E73-R137 IonicContact OE2-NH2 2.97Å; E73-R137 PolarHBondContact OE2-NH2 2.97Å; E73-R137 VanDerWaalsContact OE2-NH2 3.11Å; E73-G159 PolarHBondContact N-O 2.97Å
74	C	80.8	Confident	75.9	Confident	7 Å²	7	36.6 Å²	36.6	5%	0.047	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	149.4	176.4	68.3	0	0	0	0	112.8	T72 Y125 F128 L129 G159	T72-C74 WeakPolarHBondContact CG2-O 3.38Å; C74-Y125 HydrophobicContact CB-CD1 4.28Å; C74-F128 HydrophobicContact CB-CB 4.07Å; C74-F128 HydrophobicContact CB-CD2 4.4Å; C74-F128 HydrophobicContact CB-CG 4.23Å; C74-F128 WeakPolarHBondContact SG-CB 3.47Å; C74-L129 VanDerWaalsContact SG-CG 3.54Å; C74-G159 PolarHBondContact O-N 2.71Å
75	V	82.4	Confident	75.6	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	124.2	171.1	-176.8	0	0	0	0	108.7	R62 V65 Q66 T72 V77 L157 V158	R62-V75 HydrophobicContact CG-CB 4.18Å; V65-V75 HydrophobicContact CB-CG1 4.23Å; V65-V75 HydrophobicContact CB-CG2 3.97Å; V65-V75 HydrophobicContact CG1-CG1 4.27Å; V65-V75 HydrophobicContact CG1-CG2 3.57Å; Q66-V75 HydrophobicContact CG-CG2 3.77Å; T72-V75 HydrophobicContact CG2-CG2 3.45Å; T72-V75 VanDerWaalsContact CG2-CG2 3.45Å; V75-V77 HydrophobicContact CG1-CG2 4.22Å; V75-L157 CarbonylContact C-O 3.59Å; V75-L157 WeakPolarHBondContact CA-O 3.42Å; V75-V158 HydrophobicContact CG1-CG2 4.43Å; V75-V158 HydrophobicContact CG2-CG1 4.43Å
76	C	81.7	Confident	75.4	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.2	172.9	-170.7	0	0	0	0	109.3	F78 Y125 L156 L157	C76-F78 HydrophobicContact CB-CE2 4.2Å; C76-F78 WeakPolarHBondContact SG-CE2 3.44Å; C76-Y125 HydrophobicContact CB-CD1 4.34Å; C76-Y125 HydrophobicContact CB-CD2 4.16Å; C76-Y125 HydrophobicContact CB-CE1 4.32Å; C76-Y125 HydrophobicContact CB-CE2 4.14Å; C76-Y125 HydrophobicContact CB-CG 4.27Å; C76-Y125 VanDerWaalsContact SG-CE2 3.58Å; C76-L156 WeakPolarHBondContact O-CA 3.38Å; C76-L157 HydrophobicContact CB-CB 4.19Å; C76-L157 PolarHBondContact N-O 3.08Å; C76-L157 PolarHBondContact O-N 3.32Å
77	V	83	Confident	75.3	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122.5	-177	-174.3	0	0	0	0	109	R58 L61 R62 V75 V79 C88 L156	R58-V77 HydrophobicContact CB-CG1 4.44Å; R58-V77 HydrophobicContact CG-CB 4.49Å; R58-V77 HydrophobicContact CG-CG1 4.09Å; L61-V77 HydrophobicContact CB-CG1 4.36Å; L61-V77 HydrophobicContact CB-CG2 4.15Å; L61-V77 HydrophobicContact CD1-CG1 3.95Å; R62-V77 HydrophobicContact CB-CG2 4.19Å; V75-V77 HydrophobicContact CG1-CG2 4.22Å; V77-V79 HydrophobicContact CG1-CG2 4.39Å; V77-C88 PolarHBondContact O-SG 2.96Å; V77-L156 HydrophobicContact CB-CD2 4.09Å; V77-L156 HydrophobicContact CG1-CD2 3.79Å; V77-L156 HydrophobicContact CG2-CD2 3.63Å
78	F	82.4	Confident	75.3	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.5	171.2	-66.1	-87.1	0	0	0	109.2	C76 L86 L87 C88 Y93 V95 P122 A154 V155 L157	C76-F78 HydrophobicContact CB-CE2 4.2Å; C76-F78 WeakPolarHBondContact SG-CE2 3.44Å; F78-L86 HydrophobicContact CB-CB 4.33Å; F78-L86 HydrophobicContact CB-CD2 4.31Å; F78-L87 WeakPolarHBondContact CA-O 3.34Å; F78-C88 HydrophobicContact CD1-CB 3.65Å; F78-C88 HydrophobicContact CE1-CB 3.43Å; F78-C88 VanDerWaalsContact CE1-CB 3.43Å; F78-C88 HydrophobicContact CG-CB 4.44Å; F78-C88 HydrophobicContact CZ-CB 4.09Å; F78-Y93 AromaticContact CE1-CD1 3.96Å; F78-Y93 HydrophobicContact CE1-CD1 3.96Å; F78-Y93 HydrophobicContact CZ-CD1 4.24Å; F78-V95 HydrophobicContact CD1-CG2 3.5Å; F78-V95 HydrophobicContact CE1-CG2 3.45Å; F78-V95 VanDerWaalsContact CE1-CG2 3.45Å; F78-V95 HydrophobicContact CE2-CG2 4.48Å; F78-V95 HydrophobicContact CG-CG2 4.07Å; F78-V95 HydrophobicContact CZ-CG2 3.97Å; F78-P122 HydrophobicContact CZ-CG 4.18Å; F78-A154 CarbonylContact O-C 3.57Å; F78-A154 VanDerWaalsContact O-CA 3.26Å; F78-A154 WeakPolarHBondContact O-CA 3.32Å; F78-A154 WeakPolarHBondContact O-CB 3.4Å; F78-V155 HydrophobicContact CB-CB 4.3Å; F78-V155 PolarHBondContact N-O 3.47Å; F78-V155 PolarHBondContact O-N 3.49Å; F78-L157 HydrophobicContact CD2-CD1 4.32Å; F78-L157 HydrophobicContact CD2-CG 4.22Å; F78-L157 HydrophobicContact CE2-CD1 3.55Å; F78-L157 HydrophobicContact CE2-CG 3.9Å; F78-L157 HydrophobicContact CZ-CD1 4.41Å
79	V	80.3	Confident	74.8	Confident	7 Å²	7	41.2 Å²	41.2	4%	0.042	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	138.4	175.6	-178.7	0	0	0	0	108.3	V54 R58 V77 L87	V54-V79 HydrophobicContact CG1-CG1 4.5Å; V54-V79 HydrophobicContact CG1-CG2 4.38Å; R58-V79 HydrophobicContact CG-CG2 3.71Å; V77-V79 HydrophobicContact CG1-CG2 4.39Å; V79-L87 PolarHBondContact N-O 2.92Å; V79-L87 VanDerWaalsContact N-O 3.08Å; V79-L87 PolarHBondContact O-N 2.99Å; V79-L87 VanDerWaalsContact O-N 3.12Å
80	L	78.2	Confident	73.9	Confident	17 Å²	17	44.2 Å²	44.2	9%	0.089	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	125.4	176.8	-168.7	75.8	0	0	0	109.9	R85 L86 V152 L153 Q186	L80-R85 WeakPolarHBondContact CA-O 3.3Å; L80-L86 HydrophobicContact CB-CD2 4.09Å; L80-L86 HydrophobicContact CD1-CD2 3.81Å; L80-L86 HydrophobicContact CD1-CG 3.97Å; L80-V152 WeakPolarHBondContact CD2-O 3.43Å; L80-L153 WeakPolarHBondContact CB-O 3.44Å; L80-L153 PolarHBondContact N-O 3.09Å; L80-Q186 PolarHBondContact O-NE2 3.4Å
81	E	72.6	Confident	74	Confident	103 Å²	103	41.4 Å²	41.4	48%	0.481	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.6	172.6	-165.5	-179.8	-123	0	0	109.4	R85 L87	E81-R85 PolarHBondContact N-O 3.06Å; E81-R85 WeakPolarHBondContact O-CB 3.42Å; E81-R85 PolarHBondContact O-N 2.84Å; E81-R85 IonicContact OE2-NH1 3.32Å; E81-R85 PolarHBondContact OE2-NH1 3.15Å; E81-L87 HydrophobicContact CB-CD1 4.08Å; E81-L87 WeakPolarHBondContact OE2-CD1 3.38Å
82	G	64.6	Low	74.3	Confident	56 Å²	56	44.1 Å²	44.1	58%	0.577	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	-144	-169.2	0	0	0	0	0	112.4
83	D	59.3	Low	74.5	Confident	139 Å²	139	45.2 Å²	45.2	74%	0.743	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-8.6	-176.2	-68.8	-35.5	0	0	0	114.6	K151	D83-K151 IonicContact OD1-NZ 3.8Å; D83-K151 PolarHBondContact OD1-NZ 3.37Å
84	S	65.4	Low	74.8	Confident	51 Å²	51	45.4 Å²	45.4	36%	0.357	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.4	-6.1	-169	65.7	0	0	0	0	116.9	R102	S84-R102 PolarHBondContact O-NH1 2.9Å; S84-R102 PolarHBondContact O-NH2 3.47Å; S84-R102 VanDerWaalsContact O-NH2 3.1Å
85	R	78.1	Confident	74.8	Confident	100 Å²	100	45.3 Å²	45.3	38%	0.377	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.9	-172.2	-58.9	178.4	63.5	-136.5	-2.8	111	L80 E81 E94	L80-R85 WeakPolarHBondContact CA-O 3.3Å; E81-R85 PolarHBondContact N-O 3.06Å; E81-R85 WeakPolarHBondContact O-CB 3.42Å; E81-R85 PolarHBondContact O-N 2.84Å; E81-R85 IonicContact OE2-NH1 3.32Å; E81-R85 PolarHBondContact OE2-NH1 3.15Å; R85-E94 WeakPolarHBondContact CG-OE1 3.49Å; R85-E94 IonicContact CZ-OE2 3.99Å; R85-E94 IonicContact NE-OE1 3.91Å; R85-E94 PolarHBondContact NE-OE1 2.95Å; R85-E94 VanDerWaalsContact NE-OE1 3.15Å; R85-E94 IonicContact NE-OE2 3.73Å; R85-E94 PolarHBondContact NE-OE2 3.2Å; R85-E94 IonicContact NH2-OE2 3.32Å; R85-E94 PolarHBondContact NH2-OE2 3.04Å
86	L	78.8	Confident	74.6	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	112.4	177.1	-75.8	168.1	0	0	0	109.3	F78 L80 E94 V95 V105 V155	F78-L86 HydrophobicContact CB-CB 4.33Å; F78-L86 HydrophobicContact CB-CD2 4.31Å; L80-L86 HydrophobicContact CB-CD2 4.09Å; L80-L86 HydrophobicContact CD1-CD2 3.81Å; L80-L86 HydrophobicContact CD1-CG 3.97Å; L86-E94 WeakPolarHBondContact O-CA 3.13Å; L86-V95 HydrophobicContact CB-CB 4.1Å; L86-V95 HydrophobicContact CB-CG2 3.9Å; L86-V95 PolarHBondContact O-N 3.39Å; L86-V95 VanDerWaalsContact O-N 3.11Å; L86-V105 HydrophobicContact CD1-CG2 3.83Å; L86-V155 HydrophobicContact CD1-CG2 4.1Å; L86-V155 HydrophobicContact CD2-CG2 3.97Å
87	L	78.6	Confident	74.2	Confident	25 Å²	25	52.3 Å²	52.3	13%	0.131	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	138.2	-173	-62.5	174.5	0	0	0	111.6	R58 F78 V79 E81 E94	R58-L87 PolarHBondContact NH2-O 3.09Å; F78-L87 WeakPolarHBondContact CA-O 3.34Å; V79-L87 PolarHBondContact N-O 2.92Å; V79-L87 VanDerWaalsContact N-O 3.08Å; V79-L87 PolarHBondContact O-N 2.99Å; V79-L87 VanDerWaalsContact O-N 3.12Å; E81-L87 HydrophobicContact CB-CD1 4.08Å; E81-L87 WeakPolarHBondContact OE2-CD1 3.38Å; L87-E94 HydrophobicContact CD2-CB 3.67Å; L87-E94 HydrophobicContact CD2-CG 3.77Å
88	C	78.4	Confident	73.7	Confident	4 Å²	4	60.4 Å²	60.4	3%	0.027	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.3	165.1	-170.9	0	0	0	0	108.6	V77 F78 P92 Y93	V77-C88 PolarHBondContact O-SG 2.96Å; F78-C88 HydrophobicContact CD1-CB 3.65Å; F78-C88 HydrophobicContact CE1-CB 3.43Å; F78-C88 VanDerWaalsContact CE1-CB 3.43Å; F78-C88 HydrophobicContact CG-CB 4.44Å; F78-C88 HydrophobicContact CZ-CB 4.09Å; C88-P92 CarbonylContact O-C 3.56Å; C88-P92 WeakPolarHBondContact O-CA 3.45Å; C88-Y93 PolarHBondContact N-O 3.12Å; C88-Y93 PolarHBondContact O-N 3.02Å
89	D	66.8	Low	73.3	Confident	97 Å²	97	61.8 Å²	61.8	52%	0.519	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-2.9	-178.6	-64.4	-6.8	0	0	0	113.4	R58 P92	R58-D89 IonicContact CZ-OD1 2.7Å; R58-D89 IonicContact CZ-OD2 3.46Å; R58-D89 IonicContact NH1-OD1 2.79Å; R58-D89 PolarHBondContact NH1-OD1 2.87Å; R58-D89 IonicContact NH1-OD2 2.99Å; R58-D89 PolarHBondContact NH1-OD2 3.35Å; R58-D89 IonicContact NH2-OD1 3.08Å; D89-P92 WeakPolarHBondContact O-CD 3.33Å
90	D	60	Low	73	Confident	63 Å²	63	66.5 Å²	66.5	34%	0.337	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.2	78.9	-173.7	178.1	20.3	0	0	0	111.9	R62 K124 Y125	R62-D90 IonicContact CZ-OD2 3.87Å; R62-D90 IonicContact NH1-OD2 3.41Å; R62-D90 PolarHBondContact NH1-OD2 3.41Å; R62-D90 IonicContact NH2-OD2 2.8Å; R62-D90 PolarHBondContact NH2-OD2 3.45Å; D90-K124 IonicContact OD1-NZ 2.73Å; D90-K124 PolarHBondContact OD1-NZ 3.02Å; D90-K124 IonicContact OD2-NZ 3.11Å; D90-K124 PolarHBondContact OD2-NZ 2.78Å; D90-Y125 VanDerWaalsContact O-CE2 3.31Å; D90-Y125 WeakPolarHBondContact O-CE2 3.21Å; D90-Y125 PolarHBondContact O-OH 3.38Å
91	P	66.1	Low	73	Confident	43 Å²	43	65.7 Å²	65.7	28%	0.279	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	cis	-82	162	-4.6	33.2	-33.5	0	0	0	113	Y93 P122 K124	P91-Y93 PolarHBondContact O-N 3.38Å; P91-Y93 VanDerWaalsContact O-N 3.1Å; P91-P122 HydrophobicContact CG-CB 3.79Å; P91-K124 HydrophobicContact CG-CB 4.27Å
92	P	72.8	Confident	73.4	Confident	113 Å²	113	62.1 Å²	62.1	73%	0.734	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.3	114.1	176.6	-25.8	35	0	0	0	111.7	C88 D89	C88-P92 CarbonylContact O-C 3.56Å; C88-P92 WeakPolarHBondContact O-CA 3.45Å; D89-P92 WeakPolarHBondContact O-CD 3.33Å
93	Y	79.3	Confident	74	Confident	47 Å²	47	61.4 Å²	61.4	18%	0.184	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	130.5	-175.6	-175.5	-96.5	0	0	0	110.9	F78 C88 P91 S119 E120 L121 P122	F78-Y93 AromaticContact CE1-CD1 3.96Å; F78-Y93 HydrophobicContact CE1-CD1 3.96Å; F78-Y93 HydrophobicContact CZ-CD1 4.24Å; C88-Y93 PolarHBondContact N-O 3.12Å; C88-Y93 PolarHBondContact O-N 3.02Å; P91-Y93 PolarHBondContact O-N 3.38Å; P91-Y93 VanDerWaalsContact O-N 3.1Å; Y93-S119 PolarHBondContact OH-O 2.63Å; Y93-E120 WeakPolarHBondContact CE1-O 3.25Å; Y93-E120 VanDerWaalsContact OH-CA 3.27Å; Y93-E120 WeakPolarHBondContact OH-CA 3.47Å; Y93-E120 PolarHBondContact OH-O 3.36Å; Y93-L121 PolarHBondContact OH-N 2.94Å; Y93-P122 HydrophobicContact CD1-CB 4.37Å; Y93-P122 HydrophobicContact CD1-CG 3.62Å; Y93-P122 HydrophobicContact CD2-CB 4.34Å; Y93-P122 HydrophobicContact CD2-CG 4.45Å; Y93-P122 HydrophobicContact CE1-CG 4.31Å; Y93-P122 HydrophobicContact CG-CB 3.98Å; Y93-P122 HydrophobicContact CG-CG 3.7Å
94	E	81.5	Confident	74.6	Confident	76 Å²	76	54.9 Å²	54.9	36%	0.355	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128.7	174.9	-173	164.2	171.5	0	0	109.3	R85 L86 L87	R85-E94 WeakPolarHBondContact CG-OE1 3.49Å; R85-E94 IonicContact CZ-OE2 3.99Å; R85-E94 IonicContact NE-OE1 3.91Å; R85-E94 PolarHBondContact NE-OE1 2.95Å; R85-E94 VanDerWaalsContact NE-OE1 3.15Å; R85-E94 IonicContact NE-OE2 3.73Å; R85-E94 PolarHBondContact NE-OE2 3.2Å; R85-E94 IonicContact NH2-OE2 3.32Å; R85-E94 PolarHBondContact NH2-OE2 3.04Å; L86-E94 WeakPolarHBondContact O-CA 3.13Å; L87-E94 HydrophobicContact CD2-CB 3.67Å; L87-E94 HydrophobicContact CD2-CG 3.77Å
95	V	80.3	Confident	75.1	Confident	5 Å²	5	53.5 Å²	53.5	3%	0.03	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-68.1	131.6	179.3	-176.7	0	0	0	0	109.5	F78 L86 I101	F78-V95 HydrophobicContact CD1-CG2 3.5Å; F78-V95 HydrophobicContact CE1-CG2 3.45Å; F78-V95 VanDerWaalsContact CE1-CG2 3.45Å; F78-V95 HydrophobicContact CE2-CG2 4.48Å; F78-V95 HydrophobicContact CG-CG2 4.07Å; F78-V95 HydrophobicContact CZ-CG2 3.97Å; L86-V95 HydrophobicContact CB-CB 4.1Å; L86-V95 HydrophobicContact CB-CG2 3.9Å; L86-V95 PolarHBondContact O-N 3.39Å; L86-V95 VanDerWaalsContact O-N 3.11Å; V95-I101 HydrophobicContact CG1-CB 4.01Å; V95-I101 HydrophobicContact CG1-CD1 4.31Å; V95-I101 HydrophobicContact CG1-CG2 3.87Å; V95-I101 HydrophobicContact CG2-CG2 4.48Å
96	P	78.3	Confident	75.1	Confident	49 Å²	49	55.4 Å²	55.4	32%	0.318	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-55.2	152	174.8	-25.4	34.1	0	0	0	113.4	E98	P96-E98 PolarHBondContact O-N 2.86Å
97	Q	74.3	Confident	75	Confident	102 Å²	102	61.1 Å²	61.1	48%	0.477	32%	0.319	S	S	.	.	S	Bend	trans	-70.8	-9.5	-179.3	-66.2	-67.5	-23.8	0	0	113.8	R102	Q97-R102 VanDerWaalsContact OE1-NH2 3.09Å
98	E	70.9	Confident	74.9	Confident	172 Å²	172	63.1 Å²	63.1	80%	0.804	33%	0.328	S	S	*	.	S	Bend	trans	-129.8	144.1	175.2	-65.4	-178.6	-178.7	0	0	109	P96	P96-E98 PolarHBondContact O-N 2.86Å
99	G	75.5	Confident	74.7	Confident	28 Å²	28	68.2 Å²	68.2	29%	0.289	36%	0.355	S	S	.	.	S	Bend	trans	144.9	177.8	178.5	0	0	0	0	0	114.4	R102 S103 E120	G99-R102 PolarHBondContact O-N 3.47Å; G99-S103 WeakPolarHBondContact O-CB 3.39Å; G99-S103 PolarHBondContact O-N 3.23Å; G99-E120 VanDerWaalsContact CA-CD 3.47Å; G99-E120 WeakPolarHBondContact CA-OE1 3.45Å
100	K	74.3	Confident	75.3	Confident	106 Å²	106	67.4 Å²	67.4	46%	0.461	35%	0.345	S	S	.	.	H	α-helix	trans	-67.7	-36	-179.7	-71.1	-175.9	-177.8	178.7	0	112.2	R102 A104 F116 E120	K100-R102 VanDerWaalsContact C-N 3.34Å; K100-A104 PolarHBondContact O-N 2.86Å; K100-A104 VanDerWaalsContact O-N 3.16Å; K100-F116 HydrophobicContact CB-CD1 4.07Å; K100-F116 HydrophobicContact CB-CE1 4.38Å; K100-E120 PolarHBondContact N-OE1 2.92Å; K100-E120 VanDerWaalsContact N-OE1 3.15Å; K100-E120 PolarHBondContact N-OE2 2.95Å
101	I	77.6	Confident	76.1	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-64.6	-42.7	176.6	-59.2	169.9	0	0	0	110.1	V95 A104 V105 F116 E120 V155 L157	V95-I101 HydrophobicContact CG1-CB 4.01Å; V95-I101 HydrophobicContact CG1-CD1 4.31Å; V95-I101 HydrophobicContact CG1-CG2 3.87Å; V95-I101 HydrophobicContact CG2-CG2 4.48Å; I101-A104 PolarHBondContact O-N 2.87Å; I101-V105 WeakPolarHBondContact O-CG2 3.24Å; I101-V105 PolarHBondContact O-N 3.47Å; I101-F116 HydrophobicContact CG1-CD1 3.89Å; I101-F116 HydrophobicContact CG1-CE1 3.98Å; I101-F116 HydrophobicContact CG1-CG 4.49Å; I101-E120 HydrophobicContact CD1-CB 4Å; I101-E120 WeakPolarHBondContact CD1-O 3.45Å; I101-E120 PolarHBondContact N-OE2 2.79Å; I101-E120 VanDerWaalsContact N-OE2 3.15Å; I101-V155 HydrophobicContact CG2-CG1 4.44Å; I101-L157 HydrophobicContact CD1-CD1 3.71Å; I101-L157 HydrophobicContact CD1-CD2 4.39Å; I101-L157 HydrophobicContact CG1-CD1 4.37Å; I101-L157 HydrophobicContact CG1-CD2 4.17Å; I101-L157 HydrophobicContact CG2-CD2 4.43Å
102	R	80.4	Confident	76.7	Confident	28 Å²	28	68.7 Å²	68.7	11%	0.106	35%	0.348	C	S	.	.	H	α-helix	trans	-68.7	-41.4	178.9	-164.5	72.3	174.4	-170	-2.7	112.5	S84 Q97 G99 K100 A104 V105 E106	S84-R102 PolarHBondContact O-NH1 2.9Å; S84-R102 PolarHBondContact O-NH2 3.47Å; S84-R102 VanDerWaalsContact O-NH2 3.1Å; Q97-R102 VanDerWaalsContact OE1-NH2 3.09Å; G99-R102 PolarHBondContact O-N 3.47Å; K100-R102 VanDerWaalsContact C-N 3.34Å; R102-A104 VanDerWaalsContact C-N 3.26Å; R102-A104 PolarHBondContact O-N 2.97Å; R102-V105 WeakPolarHBondContact O-CB 3.36Å; R102-V105 PolarHBondContact O-N 3Å; R102-E106 PolarHBondContact O-N 3.36Å
103	S	76.9	Confident	76.9	Confident	42 Å²	42	64.3 Å²	64.3	29%	0.294	32%	0.32	S	S	.	.	H	α-helix	trans	-59.6	-37	176	-176.3	0	0	0	0	112.3	G99 V105 E106 Q107	G99-S103 WeakPolarHBondContact O-CB 3.39Å; G99-S103 PolarHBondContact O-N 3.23Å; S103-V105 VanDerWaalsContact C-N 3.34Å; S103-E106 PolarHBondContact O-N 3.34Å; S103-Q107 VanDerWaalsContact O-CB 3.32Å; S103-Q107 WeakPolarHBondContact O-CB 3.35Å; S103-Q107 VanDerWaalsContact O-CG 3.23Å; S103-Q107 WeakPolarHBondContact O-CG 3.45Å; S103-Q107 PolarHBondContact O-N 3.25Å; S103-Q107 PolarHBondContact OG-NE2 2.97Å
104	A	72.7	Confident	76.8	Confident	2 Å²	2	65.5 Å²	65.5	2%	0.017	34%	0.34	C	S	.	.	H	α-helix	trans	-67.9	-32.8	175	0	0	0	0	0	113.2	K100 I101 R102 Q108 C111 V141	K100-A104 PolarHBondContact O-N 2.86Å; K100-A104 VanDerWaalsContact O-N 3.16Å; I101-A104 PolarHBondContact O-N 2.87Å; R102-A104 VanDerWaalsContact C-N 3.26Å; R102-A104 PolarHBondContact O-N 2.97Å; A104-Q108 PolarHBondContact O-N 3.36Å; A104-C111 HydrophobicContact CB-CB 4.38Å; A104-V141 HydrophobicContact CB-CB 4.06Å; A104-V141 HydrophobicContact CB-CG1 3.73Å; A104-V141 HydrophobicContact CB-CG2 4.39Å
105	V	76.6	Confident	76.6	Confident	21 Å²	21	61.9 Å²	61.9	13%	0.127	32%	0.323	C	S	.	.	H	α-helix	trans	-68.5	-42.6	174.5	172.3	0	0	0	0	110.7	L86 I101 R102 S103 Q108 V152 V155	L86-V105 HydrophobicContact CD1-CG2 3.83Å; I101-V105 WeakPolarHBondContact O-CG2 3.24Å; I101-V105 PolarHBondContact O-N 3.47Å; R102-V105 WeakPolarHBondContact O-CB 3.36Å; R102-V105 PolarHBondContact O-N 3Å; S103-V105 VanDerWaalsContact C-N 3.34Å; V105-Q108 PolarHBondContact O-N 3.05Å; V105-V152 HydrophobicContact CG1-CB 4.15Å; V105-V152 HydrophobicContact CG1-CG1 4.36Å; V105-V152 HydrophobicContact CG1-CG2 3.96Å; V105-V155 HydrophobicContact CG2-CG2 3.54Å
106	E	77.6	Confident	76.7	Confident	140 Å²	140	61.7 Å²	61.7	65%	0.654	32%	0.322	S	S	*	.	H	α-helix	trans	-68.9	-36.8	177.3	-69.6	171.5	178	0	0	112.7	R102 S103 Q108	R102-E106 PolarHBondContact O-N 3.36Å; S103-E106 PolarHBondContact O-N 3.34Å; E106-Q108 VanDerWaalsContact C-N 3.32Å
107	Q	77.3	Confident	76.8	Confident	120 Å²	120	61.3 Å²	61.3	56%	0.561	32%	0.319	S	S	*	.	H	α-helix	trans	-82.1	-9.8	178.2	-69.2	175.9	7.7	0	0	113.6	S103 N109	S103-Q107 VanDerWaalsContact O-CB 3.32Å; S103-Q107 WeakPolarHBondContact O-CB 3.35Å; S103-Q107 VanDerWaalsContact O-CG 3.23Å; S103-Q107 WeakPolarHBondContact O-CG 3.45Å; S103-Q107 PolarHBondContact O-N 3.25Å; S103-Q107 PolarHBondContact OG-NE2 2.97Å; Q107-N109 PolarHBondContact O-N 2.84Å; Q107-N109 PolarHBondContact O-ND2 2.7Å
108	Q	76.3	Confident	76.9	Confident	68 Å²	68	59.6 Å²	59.6	32%	0.318	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	22.5	179.2	-61.2	178.2	-19.2	0	0	114.7	A104 V105 E106 L145 H149 T150 V152	A104-Q108 PolarHBondContact O-N 3.36Å; V105-Q108 PolarHBondContact O-N 3.05Å; E106-Q108 VanDerWaalsContact C-N 3.32Å; Q108-L145 HydrophobicContact CB-CD1 4.35Å; Q108-L145 HydrophobicContact CB-CD2 3.94Å; Q108-L145 HydrophobicContact CG-CD2 4.05Å; Q108-H149 PolarHBondContact OE1-O 3.14Å; Q108-T150 PolarHBondContact NE2-O 3.38Å; Q108-V152 HydrophobicContact CG-CG2 4.27Å
109	N	74.4	Confident	77.1	Confident	111 Å²	111	55.4 Å²	55.4	59%	0.594	31%	0.307	S	S	*	.	S	Bend	trans	-121.9	146.3	-175.4	-79.9	-36.5	0	0	0	110.9	Q107 C111	Q107-N109 PolarHBondContact O-N 2.84Å; Q107-N109 PolarHBondContact O-ND2 2.7Å; N109-C111 PolarHBondContact O-N 2.9Å
110	R	78.3	Confident	77.1	Confident	79 Å²	79	54.7 Å²	54.7	30%	0.298	30%	0.296	S	S	.	.			trans	-60.9	128.7	172.1	-172.1	-178.9	-58.2	170.8	7.4	108.7	V141 V142 N172	R110-V141 VanDerWaalsContact CA-O 3.32Å; R110-V141 WeakPolarHBondContact CA-O 3.45Å; R110-V141 WeakPolarHBondContact CG-O 3.13Å; R110-V142 HydrophobicContact CG-CG2 4.27Å; R110-N172 PolarHBondContact NH2-OD1 3.17Å
111	C	77.4	Confident	77.3	Confident	35 Å²	35	49.7 Å²	49.7	24%	0.236	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	144.6	177.5	83.1	0	0	0	0	111	A104 N109 L140 V141	A104-C111 HydrophobicContact CB-CB 4.38Å; N109-C111 PolarHBondContact O-N 2.9Å; C111-L140 WeakPolarHBondContact O-CA 3.25Å; C111-V141 PolarHBondContact N-O 3.39Å; C111-V141 VanDerWaalsContact N-O 3.16Å; C111-V141 PolarHBondContact O-N 3.42Å; C111-V141 WeakPolarHBondContact SG-CB 3.4Å; C111-V141 WeakPolarHBondContact SG-CG2 3.44Å
112	E	78.6	Confident	77.3	Confident	98 Å²	98	49.8 Å²	49.8	46%	0.458	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133	179.8	-173.1	178.7	-144.4	0	0	108.9	R138 L140	E112-R138 VanDerWaalsContact CD-CD 3.42Å; E112-R138 HydrophobicContact CG-CB 4.2Å; E112-R138 WeakPolarHBondContact OE1-CD 3.46Å; E112-R138 IonicContact OE1-CZ 3.35Å; E112-R138 IonicContact OE1-NE 3.46Å; E112-R138 IonicContact OE1-NH1 3.13Å; E112-R138 PolarHBondContact OE1-NH1 3.25Å; E112-R138 IonicContact OE2-CZ 3.83Å; E112-R138 IonicContact OE2-NH1 3.2Å; E112-R138 PolarHBondContact OE2-NH1 3.16Å; E112-L140 HydrophobicContact CB-CD2 3.91Å; E112-L140 HydrophobicContact CG-CD2 3.84Å
113	C	77.5	Confident	77.1	Confident	22 Å²	22	55.3 Å²	55.3	15%	0.149	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	158.9	-177.8	72.7	0	0	0	0	113.1	G115 F116 A139	C113-G115 PolarHBondContact O-N 2.9Å; C113-G115 VanDerWaalsContact O-N 3.08Å; C113-F116 WeakPolarHBondContact SG-CE1 3.42Å; C113-F116 VanDerWaalsContact SG-CZ 3.58Å; C113-A139 PolarHBondContact N-O 3.15Å; C113-A139 PolarHBondContact O-N 3.08Å
114	A	76.6	Confident	77.3	Confident	72 Å²	72	58 Å²	58	60%	0.595	31%	0.308	S	S	*	.	S	Bend	trans	-77.6	21.6	175.3	0	0	0	0	0	113.5	L133	A114-L133 WeakPolarHBondContact O-CB 3.46Å; A114-L133 PolarHBondContact O-N 3.34Å; A114-L133 VanDerWaalsContact O-N 3.1Å
115	G	77.2	Confident	77.6	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.31	C	S	.	.			trans	116.9	158.2	-178.6	0	0	0	0	0	114.1	C113 L129	C113-G115 PolarHBondContact O-N 2.9Å; C113-G115 VanDerWaalsContact O-N 3.08Å; G115-L129 CarbonylContact C-O 3.34Å; G115-L129 VanDerWaalsContact CA-O 3.26Å; G115-L129 WeakPolarHBondContact CA-O 3.38Å
116	F	82.3	Confident	77.8	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-99.3	155.5	177.7	-52.9	-78.8	0	0	0	111.1	K100 I101 C113 L121 L129 A130 A131 A139 V141 L157	K100-F116 HydrophobicContact CB-CD1 4.07Å; K100-F116 HydrophobicContact CB-CE1 4.38Å; I101-F116 HydrophobicContact CG1-CD1 3.89Å; I101-F116 HydrophobicContact CG1-CE1 3.98Å; I101-F116 HydrophobicContact CG1-CG 4.49Å; C113-F116 WeakPolarHBondContact SG-CE1 3.42Å; C113-F116 VanDerWaalsContact SG-CZ 3.58Å; F116-L121 HydrophobicContact CB-CD1 3.88Å; F116-L121 HydrophobicContact CB-CD2 4.32Å; F116-L121 HydrophobicContact CB-CG 3.97Å; F116-L121 HydrophobicContact CD2-CD1 4.32Å; F116-L121 HydrophobicContact CD2-CD2 3.99Å; F116-L121 HydrophobicContact CD2-CG 4.47Å; F116-L121 HydrophobicContact CG-CD2 4.43Å; F116-L129 HydrophobicContact CD2-CB 4.15Å; F116-L129 PolarHBondContact N-O 3.09Å; F116-A130 CarbonylContact O-C 3.51Å; F116-A130 VanDerWaalsContact O-CA 3.26Å; F116-A130 WeakPolarHBondContact O-CA 3.34Å; F116-A131 PolarHBondContact O-N 2.84Å; F116-A139 HydrophobicContact CD2-CB 4.18Å; F116-A139 HydrophobicContact CE2-CB 3.59Å; F116-A139 HydrophobicContact CZ-CB 4.14Å; F116-V141 HydrophobicContact CE1-CG2 3.5Å; F116-V141 VanDerWaalsContact CE1-CG2 3.5Å; F116-V141 HydrophobicContact CZ-CG2 3.35Å; F116-L157 HydrophobicContact CE2-CD1 4.46Å; F116-L157 HydrophobicContact CE2-CD2 4.25Å; F116-L157 HydrophobicContact CZ-CD2 4.03Å
117	P	79.5	Confident	77.8	Confident	41 Å²	41	62 Å²	62	27%	0.266	33%	0.325	S	S	.	.			trans	-63.7	143.6	171	25.8	-31.5	0	0	0	110.7	S119 E120	P117-S119 PolarHBondContact O-N 3.14Å; P117-E120 WeakPolarHBondContact CD-OE1 3.48Å; P117-E120 HydrophobicContact CG-CB 4.15Å; P117-E120 HydrophobicContact CG-CG 3.77Å; P117-E120 WeakPolarHBondContact CG-OE1 3.23Å; P117-E120 PolarHBondContact O-N 3.28Å
118	P	77.2	Confident	77.8	Confident	66 Å²	66	60 Å²	60	43%	0.429	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-57.6	-21.9	-178.7	-25.9	33.2	0	0	0	114.9	E120 R126 A130	P118-E120 VanDerWaalsContact C-N 3.3Å; P118-R126 PolarHBondContact O-NE 3.44Å; P118-R126 PolarHBondContact O-NH2 3.17Å; P118-A130 HydrophobicContact CG-CB 4.26Å
119	S	75.4	Confident	78	Confident	84 Å²	84	56.7 Å²	56.7	59%	0.587	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-71.5	-19.5	176.5	52.5	0	0	0	0	114	Y93 P117	Y93-S119 PolarHBondContact OH-O 2.63Å; P117-S119 PolarHBondContact O-N 3.14Å
120	E	75.8	Confident	78.3	Confident	14 Å²	14	52.3 Å²	52.3	7%	0.065	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-97	-2.2	178.6	-74.8	-179.3	-133.1	0	0	112.8	Y93 G99 K100 I101 P117 P118	Y93-E120 WeakPolarHBondContact CE1-O 3.25Å; Y93-E120 VanDerWaalsContact OH-CA 3.27Å; Y93-E120 WeakPolarHBondContact OH-CA 3.47Å; Y93-E120 PolarHBondContact OH-O 3.36Å; G99-E120 VanDerWaalsContact CA-CD 3.47Å; G99-E120 WeakPolarHBondContact CA-OE1 3.45Å; K100-E120 PolarHBondContact N-OE1 2.92Å; K100-E120 VanDerWaalsContact N-OE1 3.15Å; K100-E120 PolarHBondContact N-OE2 2.95Å; I101-E120 HydrophobicContact CD1-CB 4Å; I101-E120 WeakPolarHBondContact CD1-O 3.45Å; I101-E120 PolarHBondContact N-OE2 2.79Å; I101-E120 VanDerWaalsContact N-OE2 3.15Å; P117-E120 WeakPolarHBondContact CD-OE1 3.48Å; P117-E120 HydrophobicContact CG-CB 4.15Å; P117-E120 HydrophobicContact CG-CG 3.77Å; P117-E120 WeakPolarHBondContact CG-OE1 3.23Å; P117-E120 PolarHBondContact O-N 3.28Å; P118-E120 VanDerWaalsContact C-N 3.3Å
121	L	77.8	Confident	78.3	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.282	C	S	.	.	S	Bend	trans	-121.4	140.9	-173.5	-68.8	171.9	0	0	0	112.7	Y93 F116 R126 L129 A130 L157	Y93-L121 PolarHBondContact OH-N 2.94Å; F116-L121 HydrophobicContact CB-CD1 3.88Å; F116-L121 HydrophobicContact CB-CD2 4.32Å; F116-L121 HydrophobicContact CB-CG 3.97Å; F116-L121 HydrophobicContact CD2-CD1 4.32Å; F116-L121 HydrophobicContact CD2-CD2 3.99Å; F116-L121 HydrophobicContact CD2-CG 4.47Å; F116-L121 HydrophobicContact CG-CD2 4.43Å; L121-R126 HydrophobicContact CB-CG 4.07Å; L121-R126 PolarHBondContact O-NE 3.44Å; L121-L129 VanDerWaalsContact CD1-C 3.48Å; L121-L129 HydrophobicContact CD1-CB 3.6Å; L121-L129 HydrophobicContact CD2-CB 4.01Å; L121-L129 HydrophobicContact CD2-CD1 4.09Å; L121-L129 HydrophobicContact CG-CB 4.48Å; L121-A130 HydrophobicContact CD1-CB 4.08Å; L121-L157 HydrophobicContact CD2-CD1 3.8Å
122	P	78.1	Confident	78.1	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.013	31%	0.31	C	S	.	.			trans	-62.4	147	167.7	-10.4	21.6	0	0	0	111.1	F78 P91 Y93 K124 Y125 R126	F78-P122 HydrophobicContact CZ-CG 4.18Å; P91-P122 HydrophobicContact CG-CB 3.79Å; Y93-P122 HydrophobicContact CD1-CB 4.37Å; Y93-P122 HydrophobicContact CD1-CG 3.62Å; Y93-P122 HydrophobicContact CD2-CB 4.34Å; Y93-P122 HydrophobicContact CD2-CG 4.45Å; Y93-P122 HydrophobicContact CE1-CG 4.31Å; Y93-P122 HydrophobicContact CG-CB 3.98Å; Y93-P122 HydrophobicContact CG-CG 3.7Å; P122-K124 PolarHBondContact O-N 3.26Å; P122-K124 VanDerWaalsContact O-N 3.09Å; P122-Y125 HydrophobicContact CB-CD2 3.92Å; P122-Y125 HydrophobicContact CB-CE2 4.42Å; P122-Y125 HydrophobicContact CG-CD2 3.8Å; P122-Y125 HydrophobicContact CG-CE2 4.29Å; P122-Y125 PolarHBondContact O-N 3.3Å; P122-R126 PolarHBondContact O-N 2.87Å
123	E	76.3	Confident	78.1	Confident	144 Å²	144	51.7 Å²	51.7	67%	0.673	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-53.4	-39	-172.6	-53.2	-150.3	125.8	0	0	113.5	Y125 R126	E123-Y125 VanDerWaalsContact C-N 3.26Å; E123-Y125 PolarHBondContact O-N 2.9Å; E123-R126 PolarHBondContact O-N 3.02Å; E123-R126 IonicContact OE1-CZ 2.98Å; E123-R126 IonicContact OE1-NH1 3.88Å; E123-R126 PolarHBondContact OE1-NH1 2.92Å
124	K	79.8	Confident	78	Confident	98 Å²	98	53.3 Å²	53.3	43%	0.426	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-57.6	-32.8	178.5	-173.2	-178.3	-179.7	-172	0	113.5	D90 P91 P122	D90-K124 IonicContact OD1-NZ 2.73Å; D90-K124 PolarHBondContact OD1-NZ 3.02Å; D90-K124 IonicContact OD2-NZ 3.11Å; D90-K124 PolarHBondContact OD2-NZ 2.78Å; P91-K124 HydrophobicContact CG-CB 4.27Å; P122-K124 PolarHBondContact O-N 3.26Å; P122-K124 VanDerWaalsContact O-N 3.09Å
125	Y	79.3	Confident	77.5	Confident	13 Å²	13	55.2 Å²	55.2	5%	0.051	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-103.8	-5	-173.2	-55.1	-75.2	0	0	0	113.6	C74 C76 D90 P122 E123 L127 F128 L129	C74-Y125 HydrophobicContact CB-CD1 4.28Å; C76-Y125 HydrophobicContact CB-CD1 4.34Å; C76-Y125 HydrophobicContact CB-CD2 4.16Å; C76-Y125 HydrophobicContact CB-CE1 4.32Å; C76-Y125 HydrophobicContact CB-CE2 4.14Å; C76-Y125 HydrophobicContact CB-CG 4.27Å; C76-Y125 VanDerWaalsContact SG-CE2 3.58Å; D90-Y125 VanDerWaalsContact O-CE2 3.31Å; D90-Y125 WeakPolarHBondContact O-CE2 3.21Å; D90-Y125 PolarHBondContact O-OH 3.38Å; P122-Y125 HydrophobicContact CB-CD2 3.92Å; P122-Y125 HydrophobicContact CB-CE2 4.42Å; P122-Y125 HydrophobicContact CG-CD2 3.8Å; P122-Y125 HydrophobicContact CG-CE2 4.29Å; P122-Y125 PolarHBondContact O-N 3.3Å; E123-Y125 VanDerWaalsContact C-N 3.26Å; E123-Y125 PolarHBondContact O-N 2.9Å; Y125-L127 VanDerWaalsContact C-N 3.27Å; Y125-L127 PolarHBondContact O-N 3.27Å; Y125-F128 PolarHBondContact O-N 2.88Å; Y125-F128 VanDerWaalsContact O-N 3.09Å; Y125-L129 PolarHBondContact O-N 2.96Å
126	R	81.8	Confident	77.3	Confident	86 Å²	86	61 Å²	61	33%	0.325	35%	0.347	S	S	.	.	H	α-helix	trans	-58.4	-36.9	179.2	-71.1	179.9	-177.6	147.9	5.8	112.8	P118 L121 P122 E123 F128 A130	P118-R126 PolarHBondContact O-NE 3.44Å; P118-R126 PolarHBondContact O-NH2 3.17Å; L121-R126 HydrophobicContact CB-CG 4.07Å; L121-R126 PolarHBondContact O-NE 3.44Å; P122-R126 PolarHBondContact O-N 2.87Å; E123-R126 PolarHBondContact O-N 3.02Å; E123-R126 IonicContact OE1-CZ 2.98Å; E123-R126 IonicContact OE1-NH1 3.88Å; E123-R126 PolarHBondContact OE1-NH1 2.92Å; R126-F128 PolarHBondContact O-N 3.48Å; R126-A130 HydrophobicContact CB-CB 4.33Å; R126-A130 WeakPolarHBondContact O-CB 3.47Å; R126-A130 PolarHBondContact O-N 3.28Å
127	L	76.6	Confident	77.1	Confident	148 Å²	148	64.3 Å²	64.3	78%	0.775	36%	0.36	S	S	*	.	H	α-helix	trans	-63.5	-23.5	179.2	-74	167	0	0	0	113.8	Y125	Y125-L127 VanDerWaalsContact C-N 3.27Å; Y125-L127 PolarHBondContact O-N 3.27Å
128	F	77.6	Confident	77.2	Confident	78 Å²	78	67.6 Å²	67.6	34%	0.342	37%	0.367	S	S	.	.	H	α-helix	trans	-110.9	-24.9	-172.7	-56.5	-78.3	0	0	0	113.4	E73 C74 Y125 R126 L133	E73-F128 HydrophobicContact CB-CD1 4.27Å; C74-F128 HydrophobicContact CB-CB 4.07Å; C74-F128 HydrophobicContact CB-CD2 4.4Å; C74-F128 HydrophobicContact CB-CG 4.23Å; C74-F128 WeakPolarHBondContact SG-CB 3.47Å; Y125-F128 PolarHBondContact O-N 2.88Å; Y125-F128 VanDerWaalsContact O-N 3.09Å; R126-F128 PolarHBondContact O-N 3.48Å; F128-L133 WeakPolarHBondContact O-CD2 3.5Å
129	L	80.5	Confident	77.4	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-122.2	-10.8	-172.4	-64.9	177.3	0	0	0	114.1	C74 G115 F116 L121 Y125 A139 L157	C74-L129 VanDerWaalsContact SG-CG 3.54Å; G115-L129 CarbonylContact C-O 3.34Å; G115-L129 VanDerWaalsContact CA-O 3.26Å; G115-L129 WeakPolarHBondContact CA-O 3.38Å; F116-L129 HydrophobicContact CD2-CB 4.15Å; F116-L129 PolarHBondContact N-O 3.09Å; L121-L129 VanDerWaalsContact CD1-C 3.48Å; L121-L129 HydrophobicContact CD1-CB 3.6Å; L121-L129 HydrophobicContact CD2-CB 4.01Å; L121-L129 HydrophobicContact CD2-CD1 4.09Å; L121-L129 HydrophobicContact CG-CB 4.48Å; Y125-L129 PolarHBondContact O-N 2.96Å; L129-A139 HydrophobicContact CD2-CB 3.9Å; L129-L157 HydrophobicContact CD1-CB 3.96Å; L129-L157 HydrophobicContact CD1-CD1 4.43Å
130	A	80.4	Confident	77.8	Confident	18 Å²	18	60.7 Å²	60.7	15%	0.149	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-78.4	139.5	-178.1	0	0	0	0	0	112.2	F116 P118 L121 R126	F116-A130 CarbonylContact O-C 3.51Å; F116-A130 VanDerWaalsContact O-CA 3.26Å; F116-A130 WeakPolarHBondContact O-CA 3.34Å; P118-A130 HydrophobicContact CG-CB 4.26Å; L121-A130 HydrophobicContact CD1-CB 4.08Å; R126-A130 HydrophobicContact CB-CB 4.33Å; R126-A130 WeakPolarHBondContact O-CB 3.47Å; R126-A130 PolarHBondContact O-N 3.28Å
131	A	79	Confident	78.1	Confident	47 Å²	47	60 Å²	60	39%	0.388	32%	0.317	S	S	.	.	S	Bend	trans	-70.1	143.7	173.6	0	0	0	0	0	111.5	F116	F116-A131 PolarHBondContact O-N 2.84Å
132	P	71.9	Confident	78.4	Confident	126 Å²	126	60.5 Å²	60.5	82%	0.818	32%	0.32	S	S	*	.	S	Bend	cis	-87.6	131.1	-0	32.5	-30.8	0	0	0	113
133	L	78.6	Confident	78.6	Confident	26 Å²	26	61.3 Å²	61.3	14%	0.136	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-83.7	147.7	172.3	-69	172.7	0	0	0	112.2	A114 F128 R137 A139	A114-L133 WeakPolarHBondContact O-CB 3.46Å; A114-L133 PolarHBondContact O-N 3.34Å; A114-L133 VanDerWaalsContact O-N 3.1Å; F128-L133 WeakPolarHBondContact O-CD2 3.5Å; L133-R137 HydrophobicContact CB-CB 4.39Å; L133-A139 HydrophobicContact CD1-CB 3.84Å
134	P	75.5	Confident	79	Confident	56 Å²	56	54.6 Å²	54.6	36%	0.364	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-57.3	149.4	171.9	-23.1	32.4	0	0	0	112.8	H136 R137	P134-H136 WeakPolarHBondContact CB-CE1 3.11Å; P134-H136 PolarHBondContact O-N 2.97Å; P134-R137 PolarHBondContact O-N 2.96Å
135	A	67.8	Low	79.1	Confident	112 Å²	112	51.2 Å²	51.2	93%	0.926	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-16.1	-173.8	0	0	0	0	0	116.3
136	H	73.1	Confident	78.9	Confident	121 Å²	121	52.6 Å²	52.6	56%	0.56	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-1.1	176.9	61.8	-84.8	0	0	0	113.4	P134	P134-H136 WeakPolarHBondContact CB-CE1 3.11Å; P134-H136 PolarHBondContact O-N 2.97Å
137	R	78.2	Confident	78.2	Confident	70 Å²	70	52.3 Å²	52.3	26%	0.264	29%	0.291	S	S	.	.			trans	-117.3	141	-179.7	-66.6	-173.3	178.6	179.4	-9.8	110.5	E73 L133 P134	E73-R137 VanDerWaalsContact CD-NE 3.27Å; E73-R137 IonicContact OE1-CZ 3.73Å; E73-R137 IonicContact OE1-NE 2.71Å; E73-R137 PolarHBondContact OE1-NE 3.33Å; E73-R137 IonicContact OE1-NH2 2.71Å; E73-R137 PolarHBondContact OE1-NH2 3.38Å; E73-R137 WeakPolarHBondContact OE2-CD 3.23Å; E73-R137 IonicContact OE2-CZ 3.79Å; E73-R137 IonicContact OE2-NE 3.41Å; E73-R137 PolarHBondContact OE2-NE 2.84Å; E73-R137 IonicContact OE2-NH1 2.9Å; E73-R137 PolarHBondContact OE2-NH1 3.26Å; E73-R137 IonicContact OE2-NH2 2.97Å; E73-R137 PolarHBondContact OE2-NH2 2.97Å; E73-R137 VanDerWaalsContact OE2-NH2 3.11Å; L133-R137 HydrophobicContact CB-CB 4.39Å; P134-R137 PolarHBondContact O-N 2.96Å
138	R	79.7	Confident	77.8	Confident	110 Å²	110	51.5 Å²	51.5	42%	0.415	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	150	175.5	-59.8	-169.6	179.5	-171.8	-0.9	109.9	E112 C160	E112-R138 VanDerWaalsContact CD-CD 3.42Å; E112-R138 HydrophobicContact CG-CB 4.2Å; E112-R138 WeakPolarHBondContact OE1-CD 3.46Å; E112-R138 IonicContact OE1-CZ 3.35Å; E112-R138 IonicContact OE1-NE 3.46Å; E112-R138 IonicContact OE1-NH1 3.13Å; E112-R138 PolarHBondContact OE1-NH1 3.25Å; E112-R138 IonicContact OE2-CZ 3.83Å; E112-R138 IonicContact OE2-NH1 3.2Å; E112-R138 PolarHBondContact OE2-NH1 3.16Å; R138-C160 PolarHBondContact N-O 2.9Å; R138-C160 PolarHBondContact O-N 3.31Å; R138-C160 VanDerWaalsContact O-N 3.08Å; R138-C160 VanDerWaalsContact O-O 3.14Å
139	A	82.1	Confident	77.3	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122	175	0	0	0	0	0	109.1	C113 F116 L129 L133 V158	C113-A139 PolarHBondContact N-O 3.15Å; C113-A139 PolarHBondContact O-N 3.08Å; F116-A139 HydrophobicContact CD2-CB 4.18Å; F116-A139 HydrophobicContact CE2-CB 3.59Å; F116-A139 HydrophobicContact CZ-CB 4.14Å; L129-A139 HydrophobicContact CD2-CB 3.9Å; L133-A139 HydrophobicContact CD1-CB 3.84Å; A139-V158 WeakPolarHBondContact CA-O 3.33Å
140	L	83.4	Confident	76.6	Confident	6 Å²	6	58.2 Å²	58.2	3%	0.031	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	136.1	-179.7	-66	165.8	0	0	0	110.2	C111 E112 V142 L157 V158 C160 L163	C111-L140 WeakPolarHBondContact O-CA 3.25Å; E112-L140 HydrophobicContact CB-CD2 3.91Å; E112-L140 HydrophobicContact CG-CD2 3.84Å; L140-V142 HydrophobicContact CB-CG2 4.45Å; L140-L157 WeakPolarHBondContact O-CA 3.24Å; L140-V158 HydrophobicContact CB-CB 4.32Å; L140-V158 PolarHBondContact N-O 3.02Å; L140-V158 PolarHBondContact O-N 2.97Å; L140-C160 WeakPolarHBondContact CD1-SG 3.38Å; L140-L163 HydrophobicContact CD1-CD1 3.6Å; L140-L163 HydrophobicContact CD1-CD2 4.18Å; L140-L163 HydrophobicContact CD1-CG 4.02Å; L140-L163 HydrophobicContact CD2-CD1 4.47Å
141	V	82.9	Confident	76.4	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	117.4	163.7	-171.1	0	0	0	0	108	A104 R110 C111 F116 P143 V155 L157	A104-V141 HydrophobicContact CB-CB 4.06Å; A104-V141 HydrophobicContact CB-CG1 3.73Å; A104-V141 HydrophobicContact CB-CG2 4.39Å; R110-V141 VanDerWaalsContact CA-O 3.32Å; R110-V141 WeakPolarHBondContact CA-O 3.45Å; R110-V141 WeakPolarHBondContact CG-O 3.13Å; C111-V141 PolarHBondContact N-O 3.39Å; C111-V141 VanDerWaalsContact N-O 3.16Å; C111-V141 PolarHBondContact O-N 3.42Å; C111-V141 WeakPolarHBondContact SG-CB 3.4Å; C111-V141 WeakPolarHBondContact SG-CG2 3.44Å; F116-V141 HydrophobicContact CE1-CG2 3.5Å; F116-V141 VanDerWaalsContact CE1-CG2 3.5Å; F116-V141 HydrophobicContact CZ-CG2 3.35Å; V141-P143 WeakPolarHBondContact O-CD 3.32Å; V141-V155 HydrophobicContact CG1-CG1 3.51Å; V141-L157 HydrophobicContact CB-CD2 4.24Å; V141-L157 HydrophobicContact CG1-CD2 4.01Å; V141-L157 HydrophobicContact CG2-CD2 3.77Å
142	V	84.1	Confident	76.5	Confident	9 Å²	9	59.3 Å²	59.3	6%	0.055	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	100.8	177.4	-173	0	0	0	0	108.7	R110 L140 L156	R110-V142 HydrophobicContact CG-CG2 4.27Å; L140-V142 HydrophobicContact CB-CG2 4.45Å; V142-L156 HydrophobicContact CB-CB 4.19Å; V142-L156 PolarHBondContact N-O 3.05Å; V142-L156 PolarHBondContact O-N 3.47Å
143	P	82.4	Confident	76.9	Confident	19 Å²	19	53.5 Å²	53.5	12%	0.123	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	133	172.2	29.1	-31.5	0	0	0	110.3	V141 L145 V152	V141-P143 WeakPolarHBondContact O-CD 3.32Å; P143-L145 HydrophobicContact CB-CD2 4.46Å; P143-V152 HydrophobicContact CB-CG1 4.33Å; P143-V152 HydrophobicContact CB-CG2 4.45Å
144	I	84.1	Confident	77.2	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.015	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	116.1	168.7	-63.2	163.3	0	0	0	106.8	L61 L153 A154 L156 A178	L61-I144 HydrophobicContact CD1-CD1 4.13Å; L61-I144 HydrophobicContact CD2-CD1 4.12Å; I144-L153 PolarHBondContact O-N 3.31Å; I144-A154 HydrophobicContact CB-CB 4.24Å; I144-A154 HydrophobicContact CD1-CB 3.87Å; I144-A154 PolarHBondContact N-O 3.41Å; I144-A154 PolarHBondContact O-N 3.35Å; I144-L156 HydrophobicContact CD1-CD1 3.92Å; I144-L156 HydrophobicContact CD1-CD2 4.33Å; I144-L156 HydrophobicContact CD1-CG 3.96Å; I144-L156 HydrophobicContact CG1-CD1 4.35Å; I144-A178 HydrophobicContact CD1-CB 3.77Å; I144-A178 HydrophobicContact CG1-CB 4.23Å; I144-A178 HydrophobicContact CG2-CB 4.15Å
145	L	81.4	Confident	77.7	Confident	28 Å²	28	49.6 Å²	49.6	15%	0.147	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	155.4	-176	-59.1	172.2	0	0	0	111.2	Q108 P143 H149 K151 V152 S179	Q108-L145 HydrophobicContact CB-CD1 4.35Å; Q108-L145 HydrophobicContact CB-CD2 3.94Å; Q108-L145 HydrophobicContact CG-CD2 4.05Å; P143-L145 HydrophobicContact CB-CD2 4.46Å; L145-H149 HydrophobicContact CD1-CB 4.32Å; L145-H149 VanDerWaalsContact CD1-ND1 3.32Å; L145-H149 WeakPolarHBondContact CD1-ND1 3.32Å; L145-K151 CarbonylContact C-O 3.57Å; L145-K151 WeakPolarHBondContact CA-O 3.3Å; L145-V152 HydrophobicContact CD2-CB 4.41Å; L145-V152 HydrophobicContact CD2-CG2 3.58Å; L145-S179 WeakPolarHBondContact O-CB 3.43Å; L145-S179 PolarHBondContact O-OG 2.91Å
146	D	75.9	Confident	78.5	Confident	41 Å²	41	44.5 Å²	44.5	22%	0.219	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-65.9	164.8	166.7	-161.2	2	0	0	0	111.6	D148 H149 K151 L153	D146-D148 PolarHBondContact O-N 3.2Å; D146-H149 WeakPolarHBondContact O-CA 3.27Å; D146-H149 PolarHBondContact O-N 3.12Å; D146-K151 HydrophobicContact CB-CB 4.45Å; D146-K151 PolarHBondContact N-O 2.91Å; D146-L153 HydrophobicContact CB-CD1 4.24Å; D146-L153 HydrophobicContact CB-CD2 4.2Å; D146-L153 HydrophobicContact CB-CG 4.25Å
147	Q	67.3	Low	79	Confident	80 Å²	80	38.7 Å²	38.7	37%	0.374	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-33.7	-174.9	-68.1	-165.2	-20.5	0	0	113.3	H149 Y233	Q147-H149 PolarHBondContact O-N 2.7Å; Q147-Y233 PolarHBondContact NE2-O 3.28Å
148	D	68.4	Low	79.2	Confident	131 Å²	131	35.4 Å²	35.4	70%	0.701	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	1.3	176.1	-65.5	-32.7	0	0	0	113.3	D146 T150	D146-D148 PolarHBondContact O-N 3.2Å; D148-T150 HydrophobicContact CB-CG2 3.92Å; D148-T150 WeakPolarHBondContact O-CG2 3.47Å; D148-T150 PolarHBondContact O-N 3Å; D148-T150 VanDerWaalsContact O-N 3.11Å
149	H	67.2	Low	79.3	Confident	122 Å²	122	30.3 Å²	30.3	57%	0.565	16%	0.157	S	C	*	.	S	Bend	trans	56.5	19	-173.7	-66.6	-91.9	0	0	0	114.5	Q108 L145 D146 Q147	Q108-H149 PolarHBondContact OE1-O 3.14Å; L145-H149 HydrophobicContact CD1-CB 4.32Å; L145-H149 VanDerWaalsContact CD1-ND1 3.32Å; L145-H149 WeakPolarHBondContact CD1-ND1 3.32Å; D146-H149 WeakPolarHBondContact O-CA 3.27Å; D146-H149 PolarHBondContact O-N 3.12Å; Q147-H149 PolarHBondContact O-N 2.7Å
150	T	64.4	Low	79.2	Confident	97 Å²	97	30.4 Å²	30.4	60%	0.595	16%	0.158	S	C	*	.	S	Bend	trans	-90.8	-28.5	-174.8	54.2	0	0	0	0	113.8	Q108 D148	Q108-T150 PolarHBondContact NE2-O 3.38Å; D148-T150 HydrophobicContact CB-CG2 3.92Å; D148-T150 WeakPolarHBondContact O-CG2 3.47Å; D148-T150 PolarHBondContact O-N 3Å; D148-T150 VanDerWaalsContact O-N 3.11Å
151	K	77.1	Confident	78.9	Confident	80 Å²	80	30.8 Å²	30.8	35%	0.348	16%	0.163	S	C	.	.	S	Bend	trans	-129.6	141.9	-176.2	-169.6	171	-177.9	169.6	0	111.5	D83 L145 D146	D83-K151 IonicContact OD1-NZ 3.8Å; D83-K151 PolarHBondContact OD1-NZ 3.37Å; L145-K151 CarbonylContact C-O 3.57Å; L145-K151 WeakPolarHBondContact CA-O 3.3Å; D146-K151 HydrophobicContact CB-CB 4.45Å; D146-K151 PolarHBondContact N-O 2.91Å
152	V	80.9	Confident	78.4	Confident	9 Å²	9	35.3 Å²	35.3	6%	0.055	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	124.9	172.2	178.1	0	0	0	0	108.8	L80 V105 Q108 P143 L145 A154 V155	L80-V152 WeakPolarHBondContact CD2-O 3.43Å; V105-V152 HydrophobicContact CG1-CB 4.15Å; V105-V152 HydrophobicContact CG1-CG1 4.36Å; V105-V152 HydrophobicContact CG1-CG2 3.96Å; Q108-V152 HydrophobicContact CG-CG2 4.27Å; P143-V152 HydrophobicContact CB-CG1 4.33Å; P143-V152 HydrophobicContact CB-CG2 4.45Å; L145-V152 HydrophobicContact CD2-CB 4.41Å; L145-V152 HydrophobicContact CD2-CG2 3.58Å; V152-A154 WeakPolarHBondContact CG1-O 3.4Å; V152-V155 HydrophobicContact CG1-CG2 3.83Å
153	L	81	Confident	78	Confident	3 Å²	3	36.8 Å²	36.8	2%	0.016	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-38.3	-179.3	-56.1	177.7	0	0	0	111.9	L80 I144 D146 C182 V183	L80-L153 WeakPolarHBondContact CB-O 3.44Å; L80-L153 PolarHBondContact N-O 3.09Å; I144-L153 PolarHBondContact O-N 3.31Å; D146-L153 HydrophobicContact CB-CD1 4.24Å; D146-L153 HydrophobicContact CB-CD2 4.2Å; D146-L153 HydrophobicContact CB-CG 4.25Å; L153-C182 HydrophobicContact CB-CB 3.87Å; L153-C182 HydrophobicContact CD1-CB 3.84Å; L153-C182 HydrophobicContact CG-CB 4.48Å; L153-V183 HydrophobicContact CD1-CG2 3.61Å
154	A	83.7	Confident	77.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	161.7	179	0	0	0	0	0	110.9	F78 I144 V152	F78-A154 CarbonylContact O-C 3.57Å; F78-A154 VanDerWaalsContact O-CA 3.26Å; F78-A154 WeakPolarHBondContact O-CA 3.32Å; F78-A154 WeakPolarHBondContact O-CB 3.4Å; I144-A154 HydrophobicContact CB-CB 4.24Å; I144-A154 HydrophobicContact CD1-CB 3.87Å; I144-A154 PolarHBondContact N-O 3.41Å; I144-A154 PolarHBondContact O-N 3.35Å; V152-A154 WeakPolarHBondContact CG1-O 3.4Å
155	V	85.8	Confident	77.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	125.5	178.2	-176.9	0	0	0	0	109.3	F78 L86 I101 V105 V141 V152 L157	F78-V155 HydrophobicContact CB-CB 4.3Å; F78-V155 PolarHBondContact N-O 3.47Å; F78-V155 PolarHBondContact O-N 3.49Å; L86-V155 HydrophobicContact CD1-CG2 4.1Å; L86-V155 HydrophobicContact CD2-CG2 3.97Å; I101-V155 HydrophobicContact CG2-CG1 4.44Å; V105-V155 HydrophobicContact CG2-CG2 3.54Å; V141-V155 HydrophobicContact CG1-CG1 3.51Å; V152-V155 HydrophobicContact CG1-CG2 3.83Å; V155-L157 HydrophobicContact CG1-CD2 4.34Å
156	L	84.4	Confident	76.6	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.026	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.4	174.7	-52.4	168.1	0	0	0	109.2	L61 V65 C76 V77 V142 I144 V158	L61-L156 HydrophobicContact CB-CD2 4.16Å; L61-L156 HydrophobicContact CD1-CD2 4.44Å; V65-L156 HydrophobicContact CG2-CD1 4.15Å; C76-L156 WeakPolarHBondContact O-CA 3.38Å; V77-L156 HydrophobicContact CB-CD2 4.09Å; V77-L156 HydrophobicContact CG1-CD2 3.79Å; V77-L156 HydrophobicContact CG2-CD2 3.63Å; V142-L156 HydrophobicContact CB-CB 4.19Å; V142-L156 PolarHBondContact N-O 3.05Å; V142-L156 PolarHBondContact O-N 3.47Å; I144-L156 HydrophobicContact CD1-CD1 3.92Å; I144-L156 HydrophobicContact CD1-CD2 4.33Å; I144-L156 HydrophobicContact CD1-CG 3.96Å; I144-L156 HydrophobicContact CG1-CD1 4.35Å; L156-V158 HydrophobicContact CB-CG2 4.37Å
157	L	84.2	Confident	76.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.9	166.2	-54.1	-176.7	0	0	0	108.9	V75 C76 F78 I101 F116 L121 L129 L140 V141 V155	V75-L157 CarbonylContact C-O 3.59Å; V75-L157 WeakPolarHBondContact CA-O 3.42Å; C76-L157 HydrophobicContact CB-CB 4.19Å; C76-L157 PolarHBondContact N-O 3.08Å; C76-L157 PolarHBondContact O-N 3.32Å; F78-L157 HydrophobicContact CD2-CD1 4.32Å; F78-L157 HydrophobicContact CD2-CG 4.22Å; F78-L157 HydrophobicContact CE2-CD1 3.55Å; F78-L157 HydrophobicContact CE2-CG 3.9Å; F78-L157 HydrophobicContact CZ-CD1 4.41Å; I101-L157 HydrophobicContact CD1-CD1 3.71Å; I101-L157 HydrophobicContact CD1-CD2 4.39Å; I101-L157 HydrophobicContact CG1-CD1 4.37Å; I101-L157 HydrophobicContact CG1-CD2 4.17Å; I101-L157 HydrophobicContact CG2-CD2 4.43Å; F116-L157 HydrophobicContact CE2-CD1 4.46Å; F116-L157 HydrophobicContact CE2-CD2 4.25Å; F116-L157 HydrophobicContact CZ-CD2 4.03Å; L121-L157 HydrophobicContact CD2-CD1 3.8Å; L129-L157 HydrophobicContact CD1-CB 3.96Å; L129-L157 HydrophobicContact CD1-CD1 4.43Å; L140-L157 WeakPolarHBondContact O-CA 3.24Å; V141-L157 HydrophobicContact CB-CD2 4.24Å; V141-L157 HydrophobicContact CG1-CD2 4.01Å; V141-L157 HydrophobicContact CG2-CD2 3.77Å; V155-L157 HydrophobicContact CG1-CD2 4.34Å
158	V	82.8	Confident	76.9	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.6	-176.2	-173.7	0	0	0	0	109.4	V65 L69 T72 V75 A139 L140 L156 C160	V65-V158 HydrophobicContact CG1-CG1 4.18Å; V65-V158 HydrophobicContact CG1-CG2 3.93Å; L69-V158 HydrophobicContact CD1-CG1 4.3Å; T72-V158 HydrophobicContact CG2-CG1 3.76Å; V75-V158 HydrophobicContact CG1-CG2 4.43Å; V75-V158 HydrophobicContact CG2-CG1 4.43Å; A139-V158 WeakPolarHBondContact CA-O 3.33Å; L140-V158 HydrophobicContact CB-CB 4.32Å; L140-V158 PolarHBondContact N-O 3.02Å; L140-V158 PolarHBondContact O-N 2.97Å; L156-V158 HydrophobicContact CB-CG2 4.37Å; V158-C160 HydrophobicContact CG1-CB 4.3Å
159	G	81.1	Confident	77.1	Confident	2 Å²	2	48.2 Å²	48.2	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	111.9	171.5	0	0	0	0	0	109.3	E73 C74	E73-G159 PolarHBondContact N-O 2.97Å; C74-G159 PolarHBondContact O-N 2.71Å
160	C	81.3	Confident	77.6	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.014	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	171.6	-176.5	61.3	0	0	0	0	112.8	S71 R138 L140 V158	S71-C160 WeakPolarHBondContact O-CA 3.22Å; R138-C160 PolarHBondContact N-O 2.9Å; R138-C160 PolarHBondContact O-N 3.31Å; R138-C160 VanDerWaalsContact O-N 3.08Å; R138-C160 VanDerWaalsContact O-O 3.14Å; L140-C160 WeakPolarHBondContact CD1-SG 3.38Å; V158-C160 HydrophobicContact CG1-CB 4.3Å
161	G	76.1	Confident	78.2	Confident	14 Å²	14	39.4 Å²	39.4	14%	0.144	21%	0.212	C	C	.	.	S	Bend	trans	-72.3	-177.2	166.8	0	0	0	0	0	112.9	L163	G161-L163 PolarHBondContact O-N 2.98Å
162	P	73.6	Confident	78.2	Confident	96 Å²	96	39.4 Å²	39.4	62%	0.623	22%	0.216	S	C	*	.	P	Polyproline II helix	trans	-59.3	130.6	176.7	25.6	-33	0	0	0	111
163	L	75.6	Confident	77.9	Confident	40 Å²	40	40.6 Å²	40.6	21%	0.209	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-74.5	144.2	179.1	-63.4	177.7	0	0	0	111.3	L69 L140 G161 D167 E168 L171	L69-L163 HydrophobicContact CD1-CD2 4.37Å; L69-L163 HydrophobicContact CD2-CD2 4.1Å; L140-L163 HydrophobicContact CD1-CD1 3.6Å; L140-L163 HydrophobicContact CD1-CD2 4.18Å; L140-L163 HydrophobicContact CD1-CG 4.02Å; L140-L163 HydrophobicContact CD2-CD1 4.47Å; G161-L163 PolarHBondContact O-N 2.98Å; L163-D167 HydrophobicContact CB-CB 4.26Å; L163-D167 HydrophobicContact CD2-CB 4Å; L163-E168 HydrophobicContact CB-CG 4.49Å; L163-E168 HydrophobicContact CD1-CG 4.38Å; L163-L171 HydrophobicContact CD1-CD1 4.13Å
164	S	77.4	Confident	77.9	Confident	53 Å²	53	40.6 Å²	40.6	37%	0.371	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-88.1	163.4	166	71.1	0	0	0	0	111.8	Q166 D167 E168	S164-Q166 PolarHBondContact O-N 3.12Å; S164-Q166 VanDerWaalsContact O-N 3.16Å; S164-D167 WeakPolarHBondContact CB-OD2 3.41Å; S164-D167 PolarHBondContact N-OD2 3.25Å; S164-D167 WeakPolarHBondContact O-CB 3.45Å; S164-D167 PolarHBondContact O-N 2.71Å; S164-D167 PolarHBondContact OG-N 2.93Å; S164-D167 PolarHBondContact OG-OD2 2.86Å; S164-E168 PolarHBondContact O-N 3.01Å; S164-E168 VanDerWaalsContact O-N 3.16Å
165	D	71.1	Confident	77.6	Confident	144 Å²	144	41.6 Å²	41.6	77%	0.77	23%	0.233	S	C	*	.	H	α-helix	trans	-58.2	-28.6	175.9	-62.8	-23.3	0	0	0	112.7	L169	D165-L169 PolarHBondContact O-N 2.89Å
166	Q	69.3	Low	77.2	Confident	125 Å²	125	46.6 Å²	46.6	58%	0.584	26%	0.255	S	S	*	.	H	α-helix	trans	-73.4	-39.1	175.6	-71.2	-172.2	-18.4	0	0	112.2	S164 E168 L169 H170	S164-Q166 PolarHBondContact O-N 3.12Å; S164-Q166 VanDerWaalsContact O-N 3.16Å; Q166-E168 VanDerWaalsContact C-N 3.27Å; Q166-E168 PolarHBondContact O-N 3.5Å; Q166-L169 PolarHBondContact O-N 3.25Å; Q166-H170 VanDerWaalsContact O-CG 3.32Å; Q166-H170 PolarHBondContact O-N 3.07Å
167	D	75.3	Confident	76.8	Confident	18 Å²	18	47.4 Å²	47.4	10%	0.096	26%	0.258	C	S	.	.	H	α-helix	trans	-62.2	-38	176.2	-62.1	-40.9	0	0	0	111.3	L69 L163 S164 H170 L171	L69-D167 HydrophobicContact CD2-CB 3.52Å; L163-D167 HydrophobicContact CB-CB 4.26Å; L163-D167 HydrophobicContact CD2-CB 4Å; S164-D167 WeakPolarHBondContact CB-OD2 3.41Å; S164-D167 PolarHBondContact N-OD2 3.25Å; S164-D167 WeakPolarHBondContact O-CB 3.45Å; S164-D167 PolarHBondContact O-N 2.71Å; S164-D167 PolarHBondContact OG-N 2.93Å; S164-D167 PolarHBondContact OG-OD2 2.86Å; D167-H170 PolarHBondContact O-N 3.41Å; D167-L171 WeakPolarHBondContact O-CB 3.42Å; D167-L171 WeakPolarHBondContact O-CG 3.34Å; D167-L171 PolarHBondContact O-N 2.59Å
168	E	74.1	Confident	76.7	Confident	92 Å²	92	47.4 Å²	47.4	43%	0.43	26%	0.259	S	S	.	.	H	α-helix	trans	-64.8	-42.7	175.5	-70.2	-161.1	164.7	0	0	112.7	L163 S164 Q166 L171 N172	L163-E168 HydrophobicContact CB-CG 4.49Å; L163-E168 HydrophobicContact CD1-CG 4.38Å; S164-E168 PolarHBondContact O-N 3.01Å; S164-E168 VanDerWaalsContact O-N 3.16Å; Q166-E168 VanDerWaalsContact C-N 3.27Å; Q166-E168 PolarHBondContact O-N 3.5Å; E168-L171 PolarHBondContact O-N 3.31Å; E168-N172 PolarHBondContact O-N 2.99Å; E168-N172 PolarHBondContact O-ND2 2.97Å
169	L	74.1	Confident	76.6	Confident	109 Å²	109	47.7 Å²	47.7	57%	0.571	26%	0.261	S	S	*	.	H	α-helix	trans	-62.3	-44.6	176.7	-175	67.6	0	0	0	111.2	D165 Q166 N172 V173	D165-L169 PolarHBondContact O-N 2.89Å; Q166-L169 PolarHBondContact O-N 3.25Å; L169-N172 PolarHBondContact O-N 3.48Å; L169-V173 WeakPolarHBondContact O-CG2 3.4Å; L169-V173 PolarHBondContact O-N 2.99Å; L169-V173 VanDerWaalsContact O-N 3.07Å
170	H	76.6	Confident	76.4	Confident	28 Å²	28	48.1 Å²	48.1	13%	0.13	26%	0.263	C	S	.	.	H	α-helix	trans	-64	-43.3	178.8	-66.6	169.9	0	0	0	112.4	L41 L68 Q166 D167 N172 V173 L174	L41-H170 HydrophobicContact CD1-CB 4.45Å; L68-H170 HydrophobicContact CD2-CB 4.29Å; Q166-H170 VanDerWaalsContact O-CG 3.32Å; Q166-H170 PolarHBondContact O-N 3.07Å; D167-H170 PolarHBondContact O-N 3.41Å; H170-N172 VanDerWaalsContact C-N 3.28Å; H170-N172 PolarHBondContact O-N 3.48Å; H170-V173 PolarHBondContact O-N 3.46Å; H170-L174 WeakPolarHBondContact O-CB 3.29Å; H170-L174 PolarHBondContact O-N 3.37Å
171	L	77.5	Confident	76.3	Confident	6 Å²	6	48.1 Å²	48.1	3%	0.031	26%	0.263	C	S	.	.	H	α-helix	trans	-62.3	-35.3	175.4	-77.8	174.5	0	0	0	112.4	L69 L163 D167 E168 G175	L69-L171 HydrophobicContact CD1-CD1 4.12Å; L69-L171 HydrophobicContact CD1-CD2 4.03Å; L69-L171 HydrophobicContact CD1-CG 4.27Å; L163-L171 HydrophobicContact CD1-CD1 4.13Å; D167-L171 WeakPolarHBondContact O-CB 3.42Å; D167-L171 WeakPolarHBondContact O-CG 3.34Å; D167-L171 PolarHBondContact O-N 2.59Å; E168-L171 PolarHBondContact O-N 3.31Å; L171-G175 PolarHBondContact O-N 2.84Å
172	N	76.9	Confident	76.5	Confident	81 Å²	81	47.5 Å²	47.5	43%	0.433	26%	0.257	S	S	.	.	H	α-helix	trans	-69.3	-41.2	176.9	-70.6	-17.7	0	0	0	112.2	R110 E168 L169 H170 G175 K176	R110-N172 PolarHBondContact NH2-OD1 3.17Å; E168-N172 PolarHBondContact O-N 2.99Å; E168-N172 PolarHBondContact O-ND2 2.97Å; L169-N172 PolarHBondContact O-N 3.48Å; H170-N172 VanDerWaalsContact C-N 3.28Å; H170-N172 PolarHBondContact O-N 3.48Å; N172-G175 PolarHBondContact O-N 3.26Å; N172-K176 PolarHBondContact O-N 2.89Å
173	V	75.2	Confident	76.6	Confident	33 Å²	33	44.3 Å²	44.3	20%	0.2	24%	0.235	C	C	.	.	H	α-helix	trans	-66	-47.8	175	176.7	0	0	0	0	110.4	L45 L169 H170 G175 K176 H177	L45-V173 HydrophobicContact CD1-CG1 4.24Å; L45-V173 HydrophobicContact CD2-CG1 4.19Å; L169-V173 WeakPolarHBondContact O-CG2 3.4Å; L169-V173 PolarHBondContact O-N 2.99Å; L169-V173 VanDerWaalsContact O-N 3.07Å; H170-V173 PolarHBondContact O-N 3.46Å; V173-G175 VanDerWaalsContact C-N 3.27Å; V173-G175 PolarHBondContact O-N 3.14Å; V173-K176 PolarHBondContact O-N 3.11Å; V173-H177 PolarHBondContact O-N 3.3Å; V173-H177 PolarHBondContact O-ND1 2.93Å
174	L	80.9	Confident	76.5	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-57.2	-41.6	176.2	-171.7	75.9	0	0	0	111.6	A44 L48 V65 L68 H170 K176 H177 A178	A44-L174 HydrophobicContact CB-CD1 4.22Å; L48-L174 HydrophobicContact CD1-CD1 3.46Å; L48-L174 VanDerWaalsContact CD1-CD1 3.46Å; L48-L174 HydrophobicContact CD1-CG 4.2Å; V65-L174 HydrophobicContact CG2-CD2 3.53Å; L68-L174 HydrophobicContact CD1-CB 4.33Å; L68-L174 HydrophobicContact CD1-CD1 4.06Å; L68-L174 HydrophobicContact CD1-CD2 4.09Å; L68-L174 HydrophobicContact CD1-CG 4.4Å; H170-L174 WeakPolarHBondContact O-CB 3.29Å; H170-L174 PolarHBondContact O-N 3.37Å; L174-K176 VanDerWaalsContact C-N 3.33Å; L174-K176 PolarHBondContact O-N 2.9Å; L174-H177 PolarHBondContact O-N 3.41Å; L174-A178 WeakPolarHBondContact O-CB 3.48Å; L174-A178 PolarHBondContact O-N 3.42Å
175	G	77.6	Confident	76.4	Confident	21 Å²	21	41.3 Å²	41.3	22%	0.216	21%	0.213	C	C	.	.	H	α-helix	trans	-60	-38.7	178.7	0	0	0	0	0	113.6	L171 N172 V173 S179	L171-G175 PolarHBondContact O-N 2.84Å; N172-G175 PolarHBondContact O-N 3.26Å; V173-G175 VanDerWaalsContact C-N 3.27Å; V173-G175 PolarHBondContact O-N 3.14Å; G175-S179 PolarHBondContact O-N 3.36Å
176	K	77.1	Confident	76.5	Confident	106 Å²	106	36.9 Å²	36.9	46%	0.461	19%	0.188	S	C	.	.	H	α-helix	trans	-67.4	-45.9	176.9	-69.4	-179.3	179.2	-174.4	0	111.8	N172 V173 L174 S179 V180 Y233	N172-K176 PolarHBondContact O-N 2.89Å; V173-K176 PolarHBondContact O-N 3.11Å; L174-K176 VanDerWaalsContact C-N 3.33Å; L174-K176 PolarHBondContact O-N 2.9Å; K176-S179 VanDerWaalsContact O-CB 3.3Å; K176-S179 WeakPolarHBondContact O-CB 3.09Å; K176-S179 PolarHBondContact O-N 3.23Å; K176-V180 PolarHBondContact O-N 3Å; K176-Y233 HydrophobicContact CD-CD1 4.45Å; K176-Y233 HydrophobicContact CD-CE1 4.39Å
177	H	75.1	Confident	76.2	Confident	21 Å²	21	32.8 Å²	32.8	10%	0.097	18%	0.176	C	C	.	.	H	α-helix	trans	-71.2	-34	178.5	-70.6	56.1	0	0	0	112.4	L45 L48 V173 L174 S179 V180 A181 C229	L45-H177 HydrophobicContact CD2-CB 3.8Å; L48-H177 HydrophobicContact CD1-CB 4.23Å; V173-H177 PolarHBondContact O-N 3.3Å; V173-H177 PolarHBondContact O-ND1 2.93Å; L174-H177 PolarHBondContact O-N 3.41Å; H177-S179 VanDerWaalsContact C-N 3.31Å; H177-V180 PolarHBondContact O-N 3.05Å; H177-A181 WeakPolarHBondContact O-CB 3.31Å; H177-A181 PolarHBondContact O-N 3.37Å; H177-C229 PolarHBondContact CE1-O 2.79Å; H177-C229 PolarHBondContact NE2-O 3.31Å
178	A	81.7	Confident	75.6	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.008	19%	0.188	C	C	.	.	H	α-helix	trans	-61.5	-40.2	171.3	0	0	0	0	0	111.4	L48 L61 I144 L174 A181 C182	L48-A178 HydrophobicContact CD1-CB 4.28Å; L61-A178 HydrophobicContact CD2-CB 3.46Å; L61-A178 VanDerWaalsContact CD2-CB 3.46Å; I144-A178 HydrophobicContact CD1-CB 3.77Å; I144-A178 HydrophobicContact CG1-CB 4.23Å; I144-A178 HydrophobicContact CG2-CB 4.15Å; L174-A178 WeakPolarHBondContact O-CB 3.48Å; L174-A178 PolarHBondContact O-N 3.42Å; A178-A181 PolarHBondContact O-N 3.07Å; A178-C182 WeakPolarHBondContact O-CB 3.33Å; A178-C182 PolarHBondContact O-N 3.06Å; A178-C182 PolarHBondContact O-SG 3.24Å
179	S	81.3	Confident	75	Confident	7 Å²	7	34.9 Å²	34.9	5%	0.049	19%	0.188	C	C	.	.	H	α-helix	trans	-58.4	-52.1	174.6	-179.2	0	0	0	0	111.2	L145 G175 K176 H177 A181 C182 V183	L145-S179 WeakPolarHBondContact O-CB 3.43Å; L145-S179 PolarHBondContact O-OG 2.91Å; G175-S179 PolarHBondContact O-N 3.36Å; K176-S179 VanDerWaalsContact O-CB 3.3Å; K176-S179 WeakPolarHBondContact O-CB 3.09Å; K176-S179 PolarHBondContact O-N 3.23Å; H177-S179 VanDerWaalsContact C-N 3.31Å; S179-A181 VanDerWaalsContact C-N 3.35Å; S179-A181 PolarHBondContact O-N 2.82Å; S179-C182 WeakPolarHBondContact O-CB 3.4Å; S179-C182 PolarHBondContact O-N 3.03Å; S179-C182 VanDerWaalsContact O-N 3.12Å; S179-V183 WeakPolarHBondContact O-CG2 3.49Å; S179-V183 PolarHBondContact O-N 3.5Å
180	V	77.8	Confident	74.2	Confident	10 Å²	10	34 Å²	34	6%	0.061	20%	0.197	C	C	.	.	H	α-helix	trans	-58.7	-45	177.5	177.3	0	0	0	0	112	K176 H177 C182 V183 R184 Y233 L235	K176-V180 PolarHBondContact O-N 3Å; H177-V180 PolarHBondContact O-N 3.05Å; V180-C182 PolarHBondContact O-N 3.12Å; V180-V183 PolarHBondContact O-N 2.99Å; V180-R184 WeakPolarHBondContact O-CB 3.27Å; V180-R184 VanDerWaalsContact O-CG 3.29Å; V180-R184 WeakPolarHBondContact O-CG 3.4Å; V180-R184 PolarHBondContact O-N 3.4Å; V180-Y233 WeakPolarHBondContact CG2-O 3.38Å; V180-L235 HydrophobicContact CG1-CD2 4.22Å
181	A	78.9	Confident	72.8	Confident	3 Å²	3	34.8 Å²	34.8	3%	0.025	21%	0.206	C	C	.	.	H	α-helix	trans	-62.7	-41.4	176.8	0	0	0	0	0	111.7	L57 H177 A178 S179 I185	L57-A181 HydrophobicContact CD1-CB 3.82Å; H177-A181 WeakPolarHBondContact O-CB 3.31Å; H177-A181 PolarHBondContact O-N 3.37Å; A178-A181 PolarHBondContact O-N 3.07Å; S179-A181 VanDerWaalsContact C-N 3.35Å; S179-A181 PolarHBondContact O-N 2.82Å; A181-I185 WeakPolarHBondContact O-CB 3.45Å; A181-I185 VanDerWaalsContact O-CD1 3.31Å; A181-I185 WeakPolarHBondContact O-CD1 3.28Å; A181-I185 VanDerWaalsContact O-CG1 3.25Å; A181-I185 WeakPolarHBondContact O-CG1 3.46Å; A181-I185 PolarHBondContact O-N 3.23Å; A181-I185 VanDerWaalsContact O-N 3.1Å
182	C	79.3	Confident	71.3	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.007	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-47.9	175.8	-70.1	0	0	0	0	111.7	L153 A178 S179 V180 I185 Q186	L153-C182 HydrophobicContact CB-CB 3.87Å; L153-C182 HydrophobicContact CD1-CB 3.84Å; L153-C182 HydrophobicContact CG-CB 4.48Å; A178-C182 WeakPolarHBondContact O-CB 3.33Å; A178-C182 PolarHBondContact O-N 3.06Å; A178-C182 PolarHBondContact O-SG 3.24Å; S179-C182 WeakPolarHBondContact O-CB 3.4Å; S179-C182 PolarHBondContact O-N 3.03Å; S179-C182 VanDerWaalsContact O-N 3.12Å; V180-C182 PolarHBondContact O-N 3.12Å; C182-I185 PolarHBondContact O-N 3.18Å; C182-Q186 WeakPolarHBondContact O-CB 3.49Å; C182-Q186 WeakPolarHBondContact O-CG 3.34Å; C182-Q186 PolarHBondContact O-N 3Å
183	V	76.3	Confident	69.5	Low	29 Å²	29	48.4 Å²	48.4	18%	0.176	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-47.7	179.1	173.1	0	0	0	0	110.8	L153 S179 V180 I185 Q186 A187 L235	L153-V183 HydrophobicContact CD1-CG2 3.61Å; S179-V183 WeakPolarHBondContact O-CG2 3.49Å; S179-V183 PolarHBondContact O-N 3.5Å; V180-V183 PolarHBondContact O-N 2.99Å; V183-I185 VanDerWaalsContact C-N 3.27Å; V183-I185 PolarHBondContact O-N 3.2Å; V183-Q186 PolarHBondContact O-N 3.34Å; V183-A187 WeakPolarHBondContact O-CB 3.36Å; V183-A187 PolarHBondContact O-N 3.39Å; V183-L235 HydrophobicContact CB-CD2 4.22Å; V183-L235 HydrophobicContact CG1-CD1 4.27Å; V183-L235 HydrophobicContact CG1-CD2 3.88Å
184	R	73.9	Confident	67.3	Low	25 Å²	25	57.9 Å²	57.9	9%	0.094	29%	0.292	C	S	.	.	H	α-helix	trans	-54.4	-44.3	176.7	-75.9	171.9	58	-155.9	-13.5	111.5	A49 V180 V188 S375	A49-R184 PolarHBondContact O-NH1 2.91Å; A49-R184 VanDerWaalsContact O-NH1 3.12Å; A49-R184 PolarHBondContact O-NH2 3.16Å; V180-R184 WeakPolarHBondContact O-CB 3.27Å; V180-R184 VanDerWaalsContact O-CG 3.29Å; V180-R184 WeakPolarHBondContact O-CG 3.4Å; V180-R184 PolarHBondContact O-N 3.4Å; R184-V188 VanDerWaalsContact O-CG2 3.28Å; R184-V188 WeakPolarHBondContact O-CG2 3.2Å; R184-V188 PolarHBondContact O-N 3.02Å; R184-S375 VanDerWaalsContact CZ-OG 3.27Å; R184-S375 PolarHBondContact NH1-OG 2.85Å; R184-S375 VanDerWaalsContact NH2-CB 3.27Å; R184-S375 PolarHBondContact NH2-OG 2.95Å
185	I	75.6	Confident	64.9	Low	4 Å²	4	62.7 Å²	62.7	2%	0.021	32%	0.324	C	S	.	.	H	α-helix	trans	-78.8	-39.7	-175.5	-67.8	164	0	0	0	112.5	V51 V54 L57 A181 C182 V183 A187 V188 Q189	V51-I185 HydrophobicContact CB-CD1 3.88Å; V51-I185 HydrophobicContact CG1-CD1 3.21Å; V51-I185 HydrophobicContact CG1-CG1 4.38Å; V54-I185 HydrophobicContact CB-CG2 4.36Å; V54-I185 HydrophobicContact CG2-CG2 3.38Å; L57-I185 HydrophobicContact CB-CD1 3.74Å; L57-I185 HydrophobicContact CD1-CD1 3.84Å; L57-I185 HydrophobicContact CD2-CD1 3.91Å; L57-I185 HydrophobicContact CG-CD1 4.01Å; A181-I185 WeakPolarHBondContact O-CB 3.45Å; A181-I185 VanDerWaalsContact O-CD1 3.31Å; A181-I185 WeakPolarHBondContact O-CD1 3.28Å; A181-I185 VanDerWaalsContact O-CG1 3.25Å; A181-I185 WeakPolarHBondContact O-CG1 3.46Å; A181-I185 PolarHBondContact O-N 3.23Å; A181-I185 VanDerWaalsContact O-N 3.1Å; C182-I185 PolarHBondContact O-N 3.18Å; V183-I185 VanDerWaalsContact C-N 3.27Å; V183-I185 PolarHBondContact O-N 3.2Å; I185-A187 VanDerWaalsContact C-N 3.28Å; I185-A187 PolarHBondContact O-N 3.2Å; I185-V188 CarbonylContact O-C 3.57Å; I185-V188 PolarHBondContact O-N 3.39Å; I185-V188 VanDerWaalsContact O-N 3.15Å; I185-Q189 HydrophobicContact CG2-CG 4.33Å; I185-Q189 WeakPolarHBondContact O-CB 3.19Å; I185-Q189 WeakPolarHBondContact O-CG 3.32Å; I185-Q189 PolarHBondContact O-N 3.26Å
186	Q	71.8	Confident	62.7	Low	52 Å²	52	67.8 Å²	67.8	24%	0.243	35%	0.353	C	S	.	.	H	α-helix	trans	-61.8	-39.2	175.1	-76.7	-179.2	-14.9	0	0	111.1	L80 C182 V183 Q189 A190	L80-Q186 PolarHBondContact O-NE2 3.4Å; C182-Q186 WeakPolarHBondContact O-CB 3.49Å; C182-Q186 WeakPolarHBondContact O-CG 3.34Å; C182-Q186 PolarHBondContact O-N 3Å; V183-Q186 PolarHBondContact O-N 3.34Å; Q186-Q189 PolarHBondContact O-N 3.32Å; Q186-A190 WeakPolarHBondContact O-CB 3.47Å; Q186-A190 PolarHBondContact O-N 2.76Å
187	A	64.3	Low	60.4	Low	39 Å²	39	70.6 Å²	70.6	32%	0.322	37%	0.372	S	S	.	.	H	α-helix	trans	-62.2	-41.4	172.8	0	0	0	0	0	112.1	V183 I185 S191 F379	V183-A187 WeakPolarHBondContact O-CB 3.36Å; V183-A187 PolarHBondContact O-N 3.39Å; I185-A187 VanDerWaalsContact C-N 3.28Å; I185-A187 PolarHBondContact O-N 3.2Å; A187-S191 PolarHBondContact O-OG 3.15Å; A187-F379 HydrophobicContact CB-CE2 3.75Å; A187-F379 HydrophobicContact CB-CZ 3.88Å
188	V	61.2	Low	58	Low	59 Å²	59	74.7 Å²	74.7	36%	0.358	40%	0.404	S	S	.	.	H	α-helix	trans	-65.3	-42.6	173.8	172.3	0	0	0	0	111.3	R184 I185 S191 Y192 F379	R184-V188 VanDerWaalsContact O-CG2 3.28Å; R184-V188 WeakPolarHBondContact O-CG2 3.2Å; R184-V188 PolarHBondContact O-N 3.02Å; I185-V188 CarbonylContact O-C 3.57Å; I185-V188 PolarHBondContact O-N 3.39Å; I185-V188 VanDerWaalsContact O-N 3.15Å; V188-S191 WeakPolarHBondContact O-CB 3.34Å; V188-S191 PolarHBondContact O-N 3.11Å; V188-Y192 HydrophobicContact CG1-CD2 4.4Å; V188-Y192 HydrophobicContact CG1-CE2 4.42Å; V188-Y192 WeakPolarHBondContact O-CD2 3.25Å; V188-F379 HydrophobicContact CG2-CD2 4.49Å
189	Q	62.1	Low	55.5	Low	94 Å²	94	80.2 Å²	80.2	44%	0.439	44%	0.439	S	S	.	.	H	α-helix	trans	-72.7	-37.1	-177	-78.4	-166.1	-38.3	0	0	114.8	V54 I185 Q186 S191 Y192	V54-Q189 HydrophobicContact CG2-CG 4.25Å; I185-Q189 HydrophobicContact CG2-CG 4.33Å; I185-Q189 WeakPolarHBondContact O-CB 3.19Å; I185-Q189 WeakPolarHBondContact O-CG 3.32Å; I185-Q189 PolarHBondContact O-N 3.26Å; Q186-Q189 PolarHBondContact O-N 3.32Å; Q189-S191 PolarHBondContact O-N 3.01Å; Q189-Y192 PolarHBondContact O-N 3.29Å
190	A	56.8	Low	52.8	Low	91 Å²	91	84.7 Å²	84.7	75%	0.752	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-8.4	171.7	0	0	0	0	0	112.6	Q186	Q186-A190 WeakPolarHBondContact O-CB 3.47Å; Q186-A190 PolarHBondContact O-N 2.76Å
191	S	47.9	Very low	50.3	Low	44 Å²	44	89.7 Å²	89.7	31%	0.308	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-9.9	-176.3	-47.6	0	0	0	0	114.9	A187 V188 Q189 K386	A187-S191 PolarHBondContact O-OG 3.15Å; V188-S191 WeakPolarHBondContact O-CB 3.34Å; V188-S191 PolarHBondContact O-N 3.11Å; Q189-S191 PolarHBondContact O-N 3.01Å; S191-K386 PolarHBondContact OG-NZ 3.46Å
192	Y	45.5	Very low	47.7	Very low	175 Å²	175	97.7 Å²	97.7	69%	0.686	55%	0.545	S	S	*	.			trans	-125.6	105.5	-175	-80.8	-87.3	0	0	0	112.9	V188 Q189	V188-Y192 HydrophobicContact CG1-CD2 4.4Å; V188-Y192 HydrophobicContact CG1-CE2 4.42Å; V188-Y192 WeakPolarHBondContact O-CD2 3.25Å; Q189-Y192 PolarHBondContact O-N 3.29Å
193	Q	39.1	Very low	45.1	Very low	198 Å²	198	104.5 Å²	104.5	93%	0.925	58%	0.576	S	S	*	*			trans	-110.7	80.6	159	-76.5	-170.9	-6.2	0	0	110.2
194	R	29.7	Very low	42.8	Very low	232 Å²	232	108.3 Å²	108.3	88%	0.875	60%	0.604	S	S	*	*	S	Bend	trans	-170.8	161.9	156.7	-112.5	-169.1	-177.2	175.6	3.4	111.7
195	P	30.3	Very low	40.5	Very low	105 Å²	105	114.3 Å²	114.3	68%	0.682	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-72.2	157.3	-155.8	30.3	-35.6	0	0	0	113.9	L197	P195-L197 PolarHBondContact O-N 3.31Å
196	P	30.8	Very low	38.2	Very low	127 Å²	127	120.4 Å²	120.4	83%	0.825	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-67.8	122.1	-171.4	26.6	-33.1	0	0	0	111.6
197	L	28.3	Very low	36	Very low	165 Å²	165	122.4 Å²	122.4	86%	0.864	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-69.3	132.7	154.3	-80.2	156.6	0	0	0	107.7	P195 P199	P195-L197 PolarHBondContact O-N 3.31Å; L197-P199 WeakPolarHBondContact O-CD 3.11Å
198	S	25.2	Very low	34.2	Very low	108 Å²	108	127.3 Å²	127.3	76%	0.755	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-56.1	122.2	-177.8	44.6	0	0	0	0	111.6	S200	S198-S200 PolarHBondContact O-N 2.8Å
199	P	29.2	Very low	32.6	Very low	117 Å²	117	132.2 Å²	132.2	76%	0.76	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-69.1	131.8	168.7	27.1	-30	0	0	0	108.9	L197	L197-P199 WeakPolarHBondContact O-CD 3.11Å
200	S	24.2	Very low	30.8	Very low	100 Å²	100	135.2 Å²	135.2	70%	0.699	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-60.2	140.3	162.4	45.2	0	0	0	0	108.7	S198 L202	S198-S200 PolarHBondContact O-N 2.8Å; S200-L202 PolarHBondContact O-N 3.1Å
201	P	25.7	Very low	29.6	Very low	115 Å²	115	138 Å²	138	75%	0.747	75%	0.749	S	S	*	*			trans	-68.6	107.7	177.9	26.7	-30.1	0	0	0	108.5	Q203	P201-Q203 PolarHBondContact O-N 2.92Å
202	L	25.6	Very low	28.6	Very low	172 Å²	172	143.3 Å²	143.3	90%	0.901	78%	0.775	S	S	*	*			trans	-63.2	91.9	156.4	-85.3	156.5	0	0	0	106.5	S200 S204	S200-L202 PolarHBondContact O-N 3.1Å; L202-S204 PolarHBondContact O-N 3.41Å
203	Q	24.4	Very low	27.8	Very low	144 Å²	144	141 Å²	141	67%	0.673	78%	0.778	S	S	*	*			trans	-60.3	120.9	164.4	-76.6	179.2	-24.5	0	0	107.3	P201 H205	P201-Q203 PolarHBondContact O-N 2.92Å; Q203-H205 VanDerWaalsContact C-N 3.29Å; Q203-H205 PolarHBondContact O-N 3.21Å; Q203-H205 PolarHBondContact O-ND1 3.11Å; Q203-H205 PolarHBondContact OE1-CE1 3.47Å
204	S	26.4	Very low	27.2	Very low	108 Å²	108	136.4 Å²	136.4	76%	0.755	77%	0.768	S	S	*	*			trans	-55.4	91.1	167.4	53.9	0	0	0	0	109.8	L202 N206	L202-S204 PolarHBondContact O-N 3.41Å; S204-N206 VanDerWaalsContact C-N 3.28Å; S204-N206 PolarHBondContact O-N 3.22Å
205	H	25.4	Very low	27.3	Very low	151 Å²	151	134.3 Å²	134.3	70%	0.699	77%	0.768	S	S	*	*			trans	-90.4	71.9	167.2	-79.9	39	0	0	0	108.2	Q203 A207	Q203-H205 VanDerWaalsContact C-N 3.29Å; Q203-H205 PolarHBondContact O-N 3.21Å; Q203-H205 PolarHBondContact O-ND1 3.11Å; Q203-H205 PolarHBondContact OE1-CE1 3.47Å; H205-A207 PolarHBondContact O-N 2.8Å
206	N	27.3	Very low	27.3	Very low	133 Å²	133	137.3 Å²	137.3	71%	0.711	77%	0.773	S	S	*	*			trans	-74.4	87.5	158.3	-79.8	-10.3	0	0	0	107.2	S204 L208	S204-N206 VanDerWaalsContact C-N 3.28Å; S204-N206 PolarHBondContact O-N 3.22Å; N206-L208 PolarHBondContact O-N 3.45Å; N206-L208 VanDerWaalsContact O-N 3.16Å
207	A	26.6	Very low	27.4	Very low	94 Å²	94	138.7 Å²	138.7	78%	0.777	77%	0.773	S	S	*	*			trans	-73.1	98.9	160.5	0	0	0	0	0	107.4	H205 L209	H205-A207 PolarHBondContact O-N 2.8Å; A207-L209 PolarHBondContact O-N 3.44Å
208	L	26.3	Very low	28.1	Very low	141 Å²	141	137.6 Å²	137.6	74%	0.738	76%	0.759	S	S	*	*			trans	-53	106	164.7	-80.7	151.7	0	0	0	108.9	N206 H210	N206-L208 PolarHBondContact O-N 3.45Å; N206-L208 VanDerWaalsContact O-N 3.16Å; L208-H210 PolarHBondContact O-N 2.93Å
209	L	27.7	Very low	29.6	Very low	162 Å²	162	136.5 Å²	136.5	85%	0.848	75%	0.75	S	S	*	*			trans	-74.8	98.5	152.7	-83.9	165.6	0	0	0	106.2	A207 L211	A207-L209 PolarHBondContact O-N 3.44Å; L209-L211 PolarHBondContact O-N 3.17Å
210	H	25	Very low	31.1	Very low	158 Å²	158	138.8 Å²	138.8	73%	0.731	75%	0.751	S	S	*	*			trans	-58.8	98.9	166.5	-85	-76.1	0	0	0	109.3	L208	L208-H210 PolarHBondContact O-N 2.93Å
211	L	30.3	Very low	33	Very low	148 Å²	148	135.7 Å²	135.7	78%	0.775	73%	0.726	S	S	*	*			trans	-95.9	105.5	156.4	-82.8	157.1	0	0	0	106.6	L209 V213	L209-L211 PolarHBondContact O-N 3.17Å; L211-V213 HydrophobicContact CB-CG2 4.4Å; L211-V213 PolarHBondContact O-N 3.06Å
212	N	26.6	Very low	34.8	Very low	157 Å²	157	132.5 Å²	132.5	84%	0.84	70%	0.703	S	S	*	*			trans	-63.8	99.9	167.6	-82.8	-18	0	0	0	108.2
213	V	29.8	Very low	36.8	Very low	126 Å²	126	133.6 Å²	133.6	76%	0.764	70%	0.695	S	S	*	*			trans	-123	117.8	167.3	-173.2	0	0	0	0	108.2	L211	L211-V213 HydrophobicContact CB-CG2 4.4Å; L211-V213 PolarHBondContact O-N 3.06Å
214	S	26.6	Very low	39	Very low	101 Å²	101	129 Å²	129	71%	0.706	68%	0.675	S	S	*	*			trans	-70.5	148.6	175.9	47.8	0	0	0	0	112	Q216	S214-Q216 PolarHBondContact O-N 2.6Å
215	E	30.7	Very low	41.4	Very low	189 Å²	189	124 Å²	124	88%	0.883	64%	0.64	S	S	*	*	S	Bend	trans	-55.7	46.2	-179.5	-71.4	-180	137.3	0	0	117.9
216	Q	31.1	Very low	43.4	Very low	168 Å²	168	118.5 Å²	118.5	79%	0.785	62%	0.615	S	S	*	*	S	Bend	trans	-128.3	107.1	171.8	-72	-176	-18.1	0	0	110.7	S214	S214-Q216 PolarHBondContact O-N 2.6Å
217	D	32.6	Very low	45.5	Very low	155 Å²	155	117.7 Å²	117.7	83%	0.829	61%	0.607	S	S	*	*			trans	67.3	109.9	171	-56	-32.9	0	0	0	116.7	C219	D217-C219 PolarHBondContact O-N 3.47Å
218	Y	43.8	Very low	48	Very low	142 Å²	142	113.5 Å²	113.5	56%	0.557	57%	0.572	S	S	*	*			trans	-53.1	126.3	160.8	-78.2	-82.3	0	0	0	108.9	T36 S38	T36-Y218 WeakPolarHBondContact CB-OH 3.49Å; T36-Y218 PolarHBondContact OG1-OH 3.27Å; S38-Y218 WeakPolarHBondContact CB-OH 3.3Å
219	C	56.2	Low	50.3	Low	85 Å²	85	107.7 Å²	107.7	57%	0.574	54%	0.543	S	S	*	.			trans	-63.4	139.7	170	-81.2	0	0	0	0	108.9	D217 L221 D222	D217-C219 PolarHBondContact O-N 3.47Å; C219-L221 HydrophobicContact CB-CB 4.46Å; C219-L221 PolarHBondContact O-N 3.29Å; C219-D222 PolarHBondContact O-N 3.01Å
220	E	61.2	Low	52.2	Low	165 Å²	165	100.9 Å²	100.9	77%	0.771	51%	0.511	S	S	*	.	H	α-helix	trans	-49.6	-28.4	175.4	-69.8	-177.5	152.3	0	0	112.7	D222 R223 N224	E220-D222 PolarHBondContact O-N 3.03Å; E220-R223 PolarHBondContact O-N 3.43Å; E220-N224 WeakPolarHBondContact O-CB 3.31Å; E220-N224 PolarHBondContact O-N 3.36Å; E220-N224 PolarHBondContact O-ND2 2.96Å; E220-N224 VanDerWaalsContact O-ND2 3.16Å; E220-N224 PolarHBondContact O-OD1 3.1Å
221	L	62.7	Low	54.7	Low	36 Å²	36	97.2 Å²	97.2	19%	0.188	50%	0.495	C	S	.	.	H	α-helix	trans	-60.4	-39.5	177.2	-166	70.5	0	0	0	113.8	C219 N224 I225 V361	C219-L221 HydrophobicContact CB-CB 4.46Å; C219-L221 PolarHBondContact O-N 3.29Å; L221-N224 PolarHBondContact O-N 2.81Å; L221-I225 PolarHBondContact O-N 3.41Å; L221-V361 HydrophobicContact CD1-CG1 4.37Å; L221-V361 HydrophobicContact CD1-CG2 4.06Å; L221-V361 HydrophobicContact CD2-CG2 4.37Å
222	D	64.7	Low	57.1	Low	47 Å²	47	90.3 Å²	90.3	25%	0.251	46%	0.459	S	S	.	.	H	α-helix	trans	-75.1	-33.4	-177.8	-62.1	-39.4	0	0	0	111.6	C219 E220 I225 L226 H364	C219-D222 PolarHBondContact O-N 3.01Å; E220-D222 PolarHBondContact O-N 3.03Å; D222-I225 WeakPolarHBondContact O-CG2 3.47Å; D222-L226 PolarHBondContact O-N 3.46Å; D222-H364 IonicContact OD1-CE1 2.67Å; D222-H364 PolarHBondContact OD1-CE1 3.22Å; D222-H364 IonicContact OD1-NE2 4Å; D222-H364 PolarHBondContact OD1-NE2 2.85Å
223	R	66.5	Low	59.4	Low	195 Å²	195	86.5 Å²	86.5	74%	0.736	43%	0.433	S	S	*	.	H	α-helix	trans	-68.4	-41.3	173.2	-172	177.7	177.5	178.6	-0.3	111.4	E220 L226 Q227	E220-R223 PolarHBondContact O-N 3.43Å; R223-L226 PolarHBondContact O-N 2.92Å; R223-Q227 PolarHBondContact O-N 3.15Å; R223-Q227 VanDerWaalsContact O-N 3.12Å
224	N	70.5	Confident	61.8	Low	49 Å²	49	82.1 Å²	82.1	26%	0.262	41%	0.405	S	S	.	.	H	α-helix	trans	-67.8	-37.8	179.3	-68.3	-18.9	0	0	0	111.8	E220 L221 Q227 L228 Y247	E220-N224 WeakPolarHBondContact O-CB 3.31Å; E220-N224 PolarHBondContact O-N 3.36Å; E220-N224 PolarHBondContact O-ND2 2.96Å; E220-N224 VanDerWaalsContact O-ND2 3.16Å; E220-N224 PolarHBondContact O-OD1 3.1Å; L221-N224 PolarHBondContact O-N 2.81Å; N224-Q227 PolarHBondContact O-N 3.31Å; N224-L228 PolarHBondContact O-N 3.07Å; N224-Y247 HydrophobicContact CB-CE2 3.9Å
225	I	77.6	Confident	64	Low	1 Å²	1	79.9 Å²	79.9	1%	0.005	39%	0.385	C	S	.	.	H	α-helix	trans	-70.5	-35.9	177.5	-159.4	64.3	0	0	0	112.3	L221 D222 L228 C229 Y247 C365 Y368 T369	L221-I225 PolarHBondContact O-N 3.41Å; D222-I225 WeakPolarHBondContact O-CG2 3.47Å; I225-L228 HydrophobicContact CD1-CD2 3.92Å; I225-L228 PolarHBondContact O-N 3.18Å; I225-C229 PolarHBondContact O-N 3.31Å; I225-C229 PolarHBondContact O-SG 3.46Å; I225-C229 VanDerWaalsContact O-SG 3.38Å; I225-Y247 HydrophobicContact CD1-CE1 3.97Å; I225-C365 HydrophobicContact CD1-CB 4.11Å; I225-Y368 HydrophobicContact CG1-CD2 3.95Å; I225-Y368 HydrophobicContact CG2-CD2 4.42Å; I225-T369 HydrophobicContact CD1-CG2 4.29Å
226	L	67.6	Low	66.4	Low	36 Å²	36	73.6 Å²	73.6	19%	0.188	36%	0.358	C	S	.	.	H	α-helix	trans	-62.9	-42	173.8	-88	167	0	0	0	112.6	S38 Q42 D222 R223 L228 C229 G230	S38-L226 WeakPolarHBondContact OG-CD1 3.34Å; Q42-L226 HydrophobicContact CG-CD2 3.43Å; Q42-L226 VanDerWaalsContact CG-CD2 3.43Å; Q42-L226 HydrophobicContact CG-CG 4.25Å; D222-L226 PolarHBondContact O-N 3.46Å; R223-L226 PolarHBondContact O-N 2.92Å; L226-L228 VanDerWaalsContact C-N 3.34Å; L226-C229 PolarHBondContact O-N 2.9Å; L226-G230 PolarHBondContact O-N 3.37Å
227	Q	72.5	Confident	68.9	Low	116 Å²	116	65.6 Å²	65.6	54%	0.542	32%	0.32	S	S	.	.	H	α-helix	trans	-60.6	-46.6	174	-175.8	178.7	-17.4	0	0	110.7	R223 N224 C229 G230 E231	R223-Q227 PolarHBondContact O-N 3.15Å; R223-Q227 VanDerWaalsContact O-N 3.12Å; N224-Q227 PolarHBondContact O-N 3.31Å; Q227-C229 PolarHBondContact O-N 2.92Å; Q227-G230 PolarHBondContact O-N 2.99Å; Q227-G230 VanDerWaalsContact O-N 3.16Å; Q227-E231 PolarHBondContact NE2-OE1 3.43Å; Q227-E231 VanDerWaalsContact NE2-OE1 3.12Å; Q227-E231 WeakPolarHBondContact O-CG 3.35Å; Q227-E231 PolarHBondContact O-N 3.11Å; Q227-E231 VanDerWaalsContact O-N 3.08Å
228	L	78.5	Confident	71.4	Confident	6 Å²	6	58.5 Å²	58.5	3%	0.031	28%	0.283	C	S	.	.	H	α-helix	trans	-58.7	-49.5	176.2	179.7	65.6	0	0	0	111.5	N224 I225 L226 G230 E231 L232 K243 Y247 T369	N224-L228 PolarHBondContact O-N 3.07Å; I225-L228 HydrophobicContact CD1-CD2 3.92Å; I225-L228 PolarHBondContact O-N 3.18Å; L226-L228 VanDerWaalsContact C-N 3.34Å; L228-G230 PolarHBondContact O-N 2.73Å; L228-E231 CarbonylContact O-C 3.58Å; L228-E231 WeakPolarHBondContact O-CA 3.38Å; L228-E231 PolarHBondContact O-N 3.2Å; L228-L232 HydrophobicContact CD1-CD2 4.44Å; L228-L232 HydrophobicContact CD1-CG 4.34Å; L228-L232 HydrophobicContact CG-CD1 4.1Å; L228-L232 HydrophobicContact CG-CG 4.3Å; L228-L232 WeakPolarHBondContact O-CG 3.38Å; L228-L232 PolarHBondContact O-N 3Å; L228-K243 HydrophobicContact CD1-CB 4.3Å; L228-Y247 HydrophobicContact CB-CD2 4.18Å; L228-Y247 HydrophobicContact CB-CE2 4.4Å; L228-Y247 HydrophobicContact CD1-CG 4.49Å; L228-Y247 HydrophobicContact CD2-CD1 3.78Å; L228-Y247 HydrophobicContact CD2-CD2 3.98Å; L228-Y247 HydrophobicContact CD2-CE1 4.32Å; L228-Y247 HydrophobicContact CD2-CE2 4.46Å; L228-Y247 HydrophobicContact CD2-CG 3.61Å; L228-Y247 HydrophobicContact CG-CD2 4.47Å; L228-Y247 HydrophobicContact CG-CG 4.46Å; L228-T369 HydrophobicContact CD2-CG2 3.83Å; L228-T369 HydrophobicContact CG-CG2 4.42Å
229	C	74.4	Confident	73.4	Confident	20 Å²	20	54 Å²	54	14%	0.135	27%	0.273	C	S	.	.	H	α-helix	trans	-56.9	-38.9	176.9	-72.9	0	0	0	0	111.9	L45 H177 I225 L226 Q227 E231 L232	L45-C229 HydrophobicContact CD1-CB 4.48Å; H177-C229 PolarHBondContact CE1-O 2.79Å; H177-C229 PolarHBondContact NE2-O 3.31Å; I225-C229 PolarHBondContact O-N 3.31Å; I225-C229 PolarHBondContact O-SG 3.46Å; I225-C229 VanDerWaalsContact O-SG 3.38Å; L226-C229 PolarHBondContact O-N 2.9Å; Q227-C229 PolarHBondContact O-N 2.92Å; C229-E231 VanDerWaalsContact C-N 3.26Å; C229-E231 PolarHBondContact O-N 3.5Å; C229-L232 PolarHBondContact O-N 3.02Å
230	G	67.6	Low	74.9	Confident	18 Å²	18	50.1 Å²	50.1	19%	0.186	25%	0.246	C	C	.	.	H	α-helix	trans	-65.8	-23.2	174	0	0	0	0	0	114.6	L226 Q227 L228 Y233	L226-G230 PolarHBondContact O-N 3.37Å; Q227-G230 PolarHBondContact O-N 2.99Å; Q227-G230 VanDerWaalsContact O-N 3.16Å; L228-G230 PolarHBondContact O-N 2.73Å; G230-Y233 WeakPolarHBondContact O-CD1 3.26Å
231	E	76.7	Confident	76.2	Confident	81 Å²	81	42.2 Å²	42.2	38%	0.379	21%	0.209	S	C	.	.	H	α-helix	trans	-91.7	-16.2	177.1	-69.4	176.2	-166.3	0	0	113.5	Q227 L228 C229 Y233 K243	Q227-E231 PolarHBondContact NE2-OE1 3.43Å; Q227-E231 VanDerWaalsContact NE2-OE1 3.12Å; Q227-E231 WeakPolarHBondContact O-CG 3.35Å; Q227-E231 PolarHBondContact O-N 3.11Å; Q227-E231 VanDerWaalsContact O-N 3.08Å; L228-E231 CarbonylContact O-C 3.58Å; L228-E231 WeakPolarHBondContact O-CA 3.38Å; L228-E231 PolarHBondContact O-N 3.2Å; C229-E231 VanDerWaalsContact C-N 3.26Å; C229-E231 PolarHBondContact O-N 3.5Å; E231-Y233 VanDerWaalsContact C-N 3.3Å; E231-Y233 WeakPolarHBondContact O-CD1 3.41Å; E231-Y233 PolarHBondContact O-N 3.09Å; E231-K243 PolarHBondContact O-NZ 3.22Å
232	L	80.2	Confident	77.5	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.016	21%	0.212	C	C	.	.			trans	-83	65.2	-179.5	-68.9	174.7	0	0	0	112.6	L228 C229 L240 K243 V244 T369 V372	L228-L232 HydrophobicContact CD1-CD2 4.44Å; L228-L232 HydrophobicContact CD1-CG 4.34Å; L228-L232 HydrophobicContact CG-CD1 4.1Å; L228-L232 HydrophobicContact CG-CG 4.3Å; L228-L232 WeakPolarHBondContact O-CG 3.38Å; L228-L232 PolarHBondContact O-N 3Å; C229-L232 PolarHBondContact O-N 3.02Å; L232-L240 HydrophobicContact CB-CD2 3.93Å; L232-L240 HydrophobicContact CD2-CB 4.29Å; L232-L240 HydrophobicContact CD2-CD2 3.7Å; L232-L240 HydrophobicContact CG-CD2 4.42Å; L232-K243 HydrophobicContact CD2-CB 3.88Å; L232-K243 HydrophobicContact CD2-CD 4.35Å; L232-V244 HydrophobicContact CD1-CG2 4.01Å; L232-V244 HydrophobicContact CD2-CG2 3.84Å; L232-T369 HydrophobicContact CD1-CG2 3.5Å; L232-T369 VanDerWaalsContact CD1-CG2 3.5Å; L232-V372 HydrophobicContact CB-CG1 4.41Å; L232-V372 HydrophobicContact CD1-CG1 4.1Å
233	Y	76.8	Confident	78.6	Confident	78 Å²	78	42.9 Å²	42.9	31%	0.306	21%	0.21	S	C	.	.			trans	-121.2	14.2	176.9	62.4	-95.8	0	0	0	113.3	Q147 K176 V180 G230 E231	Q147-Y233 PolarHBondContact NE2-O 3.28Å; K176-Y233 HydrophobicContact CD-CD1 4.45Å; K176-Y233 HydrophobicContact CD-CE1 4.39Å; V180-Y233 WeakPolarHBondContact CG2-O 3.38Å; G230-Y233 WeakPolarHBondContact O-CD1 3.26Å; E231-Y233 VanDerWaalsContact C-N 3.3Å; E231-Y233 WeakPolarHBondContact O-CD1 3.41Å; E231-Y233 PolarHBondContact O-N 3.09Å
234	D	78.9	Confident	79.7	Confident	33 Å²	33	33.6 Å²	33.6	18%	0.176	18%	0.175	C	C	.	.			trans	-72.2	145.9	175.8	-44.2	-73.9	0	0	0	111.3	D236 L240 K243	D234-D236 VanDerWaalsContact C-N 3.32Å; D234-L240 HydrophobicContact CB-CD2 3.9Å; D234-L240 HydrophobicContact CB-CG 4.12Å; D234-L240 WeakPolarHBondContact OD2-CD2 3.36Å; D234-K243 IonicContact OD1-NZ 3.69Å; D234-K243 PolarHBondContact OD1-NZ 3.02Å; D234-K243 VanDerWaalsContact OD2-CD 3.31Å; D234-K243 WeakPolarHBondContact OD2-CD 3.39Å; D234-K243 WeakPolarHBondContact OD2-CE 3.28Å; D234-K243 IonicContact OD2-NZ 3.94Å; D234-K243 PolarHBondContact OD2-NZ 2.95Å
235	L	73.8	Confident	80.7	Confident	54 Å²	54	31.3 Å²	31.3	28%	0.283	16%	0.163	S	C	.	.	S	Bend	trans	-78.7	-20.6	175.8	-67.1	170.3	0	0	0	112.5	V180 V183 T376	V180-L235 HydrophobicContact CG1-CD2 4.22Å; V183-L235 HydrophobicContact CB-CD2 4.22Å; V183-L235 HydrophobicContact CG1-CD1 4.27Å; V183-L235 HydrophobicContact CG1-CD2 3.88Å; L235-T376 WeakPolarHBondContact O-CG2 3.49Å
236	D	80.8	Confident	81.2	Confident	58 Å²	58	33.8 Å²	33.8	31%	0.31	18%	0.176	S	C	.	.	S	Bend	trans	-94.9	129.1	-178.2	171.4	57.1	0	0	0	112.1	D234 A238 S239 L240 Q380	D234-D236 VanDerWaalsContact C-N 3.32Å; D236-A238 VanDerWaalsContact C-N 3.32Å; D236-A238 PolarHBondContact O-N 3.4Å; D236-A238 WeakPolarHBondContact OD2-CB 3.27Å; D236-A238 PolarHBondContact OD2-N 3.38Å; D236-S239 PolarHBondContact O-N 3.27Å; D236-S239 PolarHBondContact OD2-N 2.95Å; D236-S239 PolarHBondContact OD2-OG 3.48Å; D236-L240 PolarHBondContact O-N 3.13Å; D236-Q380 PolarHBondContact OD1-NE2 3.23Å
237	A	84.4	Confident	82.2	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-68.2	-30.5	-177.1	0	0	0	0	0	112.6	L240 Q241 T376 L377	A237-L240 PolarHBondContact O-N 3.25Å; A237-Q241 WeakPolarHBondContact O-CB 3.26Å; A237-Q241 VanDerWaalsContact O-CG 3.24Å; A237-Q241 WeakPolarHBondContact O-CG 3.29Å; A237-Q241 PolarHBondContact O-N 3.43Å; A237-Q241 PolarHBondContact O-NE2 2.72Å; A237-T376 HydrophobicContact CB-CG2 4.2Å; A237-L377 HydrophobicContact CB-CB 4.28Å; A237-L377 HydrophobicContact CB-CD1 4.21Å
238	A	85.1	Confident	83.1	Confident	6 Å²	6	27.7 Å²	27.7	5%	0.05	15%	0.146	C	C	.	.	H	α-helix	trans	-69	-39.4	177.6	0	0	0	0	0	111.3	D236 Q241 L242 V273 V278	D236-A238 VanDerWaalsContact C-N 3.32Å; D236-A238 PolarHBondContact O-N 3.4Å; D236-A238 WeakPolarHBondContact OD2-CB 3.27Å; D236-A238 PolarHBondContact OD2-N 3.38Å; A238-Q241 WeakPolarHBondContact O-CB 3.34Å; A238-Q241 PolarHBondContact O-N 3.42Å; A238-L242 WeakPolarHBondContact O-CB 3.31Å; A238-L242 PolarHBondContact O-N 3.08Å; A238-V273 HydrophobicContact CB-CG2 4.04Å; A238-V278 HydrophobicContact CB-CG1 3.86Å; A238-V278 HydrophobicContact CB-CG2 4.22Å
239	S	85.8	Confident	83.6	Confident	48 Å²	48	28.9 Å²	28.9	34%	0.336	15%	0.152	S	C	.	.	H	α-helix	trans	-62.4	-42.6	174.5	-58.5	0	0	0	0	112.3	D236 L242 K243	D236-S239 PolarHBondContact O-N 3.27Å; D236-S239 PolarHBondContact OD2-N 2.95Å; D236-S239 PolarHBondContact OD2-OG 3.48Å; S239-L242 PolarHBondContact O-N 3.09Å; S239-K243 PolarHBondContact O-N 3.35Å
240	L	86.5	Confident	84.2	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-64.2	-44.9	173.2	-67	178.1	0	0	0	111.9	L232 D234 D236 A237 L242 K243 V244 V372 T376	L232-L240 HydrophobicContact CB-CD2 3.93Å; L232-L240 HydrophobicContact CD2-CB 4.29Å; L232-L240 HydrophobicContact CD2-CD2 3.7Å; L232-L240 HydrophobicContact CG-CD2 4.42Å; D234-L240 HydrophobicContact CB-CD2 3.9Å; D234-L240 HydrophobicContact CB-CG 4.12Å; D234-L240 WeakPolarHBondContact OD2-CD2 3.36Å; D236-L240 PolarHBondContact O-N 3.13Å; A237-L240 PolarHBondContact O-N 3.25Å; L240-L242 VanDerWaalsContact C-N 3.28Å; L240-L242 PolarHBondContact O-N 2.84Å; L240-K243 PolarHBondContact O-N 3.38Å; L240-V244 WeakPolarHBondContact O-CG2 3.01Å; L240-V244 PolarHBondContact O-N 3.49Å; L240-V244 VanDerWaalsContact O-N 3.08Å; L240-V372 HydrophobicContact CD1-CG2 4.31Å; L240-T376 HydrophobicContact CD1-CG2 3.85Å; L240-T376 WeakPolarHBondContact CD1-OG1 3.36Å
241	Q	89	Confident	85.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57.2	-42.8	175.9	-77.9	174.4	63.5	0	0	111.1	A237 A238 K243 V244 I245 L259 V273 L373	A237-Q241 WeakPolarHBondContact O-CB 3.26Å; A237-Q241 VanDerWaalsContact O-CG 3.24Å; A237-Q241 WeakPolarHBondContact O-CG 3.29Å; A237-Q241 PolarHBondContact O-N 3.43Å; A237-Q241 PolarHBondContact O-NE2 2.72Å; A238-Q241 WeakPolarHBondContact O-CB 3.34Å; A238-Q241 PolarHBondContact O-N 3.42Å; Q241-K243 PolarHBondContact O-N 2.92Å; Q241-V244 PolarHBondContact O-N 3.46Å; Q241-I245 HydrophobicContact CB-CD1 4.39Å; Q241-I245 VanDerWaalsContact O-CB 3.28Å; Q241-I245 WeakPolarHBondContact O-CB 3.24Å; Q241-I245 WeakPolarHBondContact O-CD1 3.38Å; Q241-I245 WeakPolarHBondContact O-CG1 3.28Å; Q241-I245 PolarHBondContact O-N 2.95Å; Q241-L259 HydrophobicContact CB-CD1 4.37Å; Q241-L259 HydrophobicContact CG-CD1 4.01Å; Q241-V273 HydrophobicContact CB-CB 4.21Å; Q241-V273 HydrophobicContact CB-CG2 3.82Å; Q241-L373 HydrophobicContact CG-CD1 3.97Å; Q241-L373 HydrophobicContact CG-CD2 4.35Å; Q241-L373 HydrophobicContact CG-CG 4.28Å
242	L	88.9	Confident	85.6	Confident	47 Å²	47	32.8 Å²	32.8	25%	0.246	16%	0.163	C	C	.	.	H	α-helix	trans	-61	-45.1	178.9	-169.4	154.1	0	0	0	111.9	A238 S239 L240 I245 N246 V273 V278	A238-L242 WeakPolarHBondContact O-CB 3.31Å; A238-L242 PolarHBondContact O-N 3.08Å; S239-L242 PolarHBondContact O-N 3.09Å; L240-L242 VanDerWaalsContact C-N 3.28Å; L240-L242 PolarHBondContact O-N 2.84Å; L242-I245 PolarHBondContact O-N 2.89Å; L242-N246 WeakPolarHBondContact CD2-ND2 3.16Å; L242-N246 WeakPolarHBondContact O-CB 3.33Å; L242-N246 VanDerWaalsContact O-CG 3.27Å; L242-N246 PolarHBondContact O-N 3.3Å; L242-N246 PolarHBondContact O-ND2 3.01Å; L242-V273 HydrophobicContact CB-CG1 4.3Å; L242-V278 HydrophobicContact CD1-CG2 4.09Å
243	K	88.7	Confident	86	Confident	49 Å²	49	39 Å²	39	21%	0.213	19%	0.19	C	C	.	.	H	α-helix	trans	-62	-44.2	176	-71.6	177.7	177.1	170.9	0	112.2	L228 E231 L232 D234 S239 L240 Q241 Y247	L228-K243 HydrophobicContact CD1-CB 4.3Å; E231-K243 PolarHBondContact O-NZ 3.22Å; L232-K243 HydrophobicContact CD2-CB 3.88Å; L232-K243 HydrophobicContact CD2-CD 4.35Å; D234-K243 IonicContact OD1-NZ 3.69Å; D234-K243 PolarHBondContact OD1-NZ 3.02Å; D234-K243 VanDerWaalsContact OD2-CD 3.31Å; D234-K243 WeakPolarHBondContact OD2-CD 3.39Å; D234-K243 WeakPolarHBondContact OD2-CE 3.28Å; D234-K243 IonicContact OD2-NZ 3.94Å; D234-K243 PolarHBondContact OD2-NZ 2.95Å; S239-K243 PolarHBondContact O-N 3.35Å; L240-K243 PolarHBondContact O-N 3.38Å; Q241-K243 PolarHBondContact O-N 2.92Å; K243-Y247 WeakPolarHBondContact O-CB 3.41Å; K243-Y247 PolarHBondContact O-N 2.97Å; K243-Y247 VanDerWaalsContact O-N 3.1Å
244	V	90	Very high	86.5	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.006	18%	0.176	C	C	.	.	H	α-helix	trans	-65.7	-44.2	177.1	176.3	0	0	0	0	111.4	L232 L240 Q241 Y247 L248 F366 T369 L373	L232-V244 HydrophobicContact CD1-CG2 4.01Å; L232-V244 HydrophobicContact CD2-CG2 3.84Å; L240-V244 WeakPolarHBondContact O-CG2 3.01Å; L240-V244 PolarHBondContact O-N 3.49Å; L240-V244 VanDerWaalsContact O-N 3.08Å; Q241-V244 PolarHBondContact O-N 3.46Å; V244-Y247 WeakPolarHBondContact O-CB 3.43Å; V244-Y247 PolarHBondContact O-N 3.22Å; V244-L248 HydrophobicContact CG1-CD1 4.12Å; V244-L248 HydrophobicContact CG1-CG 4.46Å; V244-L248 VanDerWaalsContact O-CG 3.3Å; V244-L248 WeakPolarHBondContact O-CG 3.46Å; V244-L248 PolarHBondContact O-N 3.02Å; V244-F366 HydrophobicContact CG1-CE1 3.87Å; V244-F366 HydrophobicContact CG1-CZ 3.74Å; V244-T369 HydrophobicContact CG2-CG2 4.39Å; V244-L373 HydrophobicContact CG2-CD1 4.42Å
245	I	90.6	Very high	87	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-45.1	179.6	-74.1	166.5	0	0	0	110.8	Q241 L242 Y247 L248 Q249 C257 L259 V273 G275	Q241-I245 HydrophobicContact CB-CD1 4.39Å; Q241-I245 VanDerWaalsContact O-CB 3.28Å; Q241-I245 WeakPolarHBondContact O-CB 3.24Å; Q241-I245 WeakPolarHBondContact O-CD1 3.38Å; Q241-I245 WeakPolarHBondContact O-CG1 3.28Å; Q241-I245 PolarHBondContact O-N 2.95Å; L242-I245 PolarHBondContact O-N 2.89Å; I245-Y247 VanDerWaalsContact C-N 3.33Å; I245-Y247 PolarHBondContact O-N 2.91Å; I245-L248 PolarHBondContact O-N 3.36Å; I245-Q249 WeakPolarHBondContact O-CG 3.42Å; I245-Q249 PolarHBondContact O-N 3.36Å; I245-C257 HydrophobicContact CG2-CB 3.94Å; I245-C257 VanDerWaalsContact CG2-O 3.24Å; I245-C257 WeakPolarHBondContact CG2-O 3.37Å; I245-L259 HydrophobicContact CD1-CB 4.4Å; I245-L259 HydrophobicContact CD1-CD1 4.39Å; I245-L259 HydrophobicContact CD1-CG 4.34Å; I245-L259 HydrophobicContact CG1-CD1 4.22Å; I245-L259 HydrophobicContact CG1-CG 4.21Å; I245-V273 HydrophobicContact CD1-CB 3.74Å; I245-V273 HydrophobicContact CD1-CG1 3.64Å; I245-G275 VanDerWaalsContact CG2-O 3.23Å; I245-G275 WeakPolarHBondContact CG2-O 3.33Å
246	N	88.8	Confident	87.7	Confident	53 Å²	53	37.4 Å²	37.4	28%	0.283	19%	0.185	S	C	.	.	H	α-helix	trans	-60.4	-42.4	176.5	-78	-17.5	0	0	0	112	L242 Q249 Q250	L242-N246 WeakPolarHBondContact CD2-ND2 3.16Å; L242-N246 WeakPolarHBondContact O-CB 3.33Å; L242-N246 VanDerWaalsContact O-CG 3.27Å; L242-N246 PolarHBondContact O-N 3.3Å; L242-N246 PolarHBondContact O-ND2 3.01Å; N246-Q249 PolarHBondContact O-N 2.97Å; N246-Q249 PolarHBondContact OD1-OE1 3.34Å; N246-Q250 WeakPolarHBondContact O-CG 3.23Å; N246-Q250 PolarHBondContact O-N 2.98Å; N246-Q250 VanDerWaalsContact O-N 3.15Å
247	Y	89.4	Confident	88.2	Confident	18 Å²	18	34.9 Å²	34.9	7%	0.071	17%	0.171	C	C	.	.	H	α-helix	trans	-59.6	-47.6	174	175.8	-92.6	0	0	0	111.6	N224 I225 L228 K243 V244 I245 Q249 Q250 Q251 C365	N224-Y247 HydrophobicContact CB-CE2 3.9Å; I225-Y247 HydrophobicContact CD1-CE1 3.97Å; L228-Y247 HydrophobicContact CB-CD2 4.18Å; L228-Y247 HydrophobicContact CB-CE2 4.4Å; L228-Y247 HydrophobicContact CD1-CG 4.49Å; L228-Y247 HydrophobicContact CD2-CD1 3.78Å; L228-Y247 HydrophobicContact CD2-CD2 3.98Å; L228-Y247 HydrophobicContact CD2-CE1 4.32Å; L228-Y247 HydrophobicContact CD2-CE2 4.46Å; L228-Y247 HydrophobicContact CD2-CG 3.61Å; L228-Y247 HydrophobicContact CG-CD2 4.47Å; L228-Y247 HydrophobicContact CG-CG 4.46Å; K243-Y247 WeakPolarHBondContact O-CB 3.41Å; K243-Y247 PolarHBondContact O-N 2.97Å; K243-Y247 VanDerWaalsContact O-N 3.1Å; V244-Y247 WeakPolarHBondContact O-CB 3.43Å; V244-Y247 PolarHBondContact O-N 3.22Å; I245-Y247 VanDerWaalsContact C-N 3.33Å; I245-Y247 PolarHBondContact O-N 2.91Å; Y247-Q249 PolarHBondContact O-N 2.88Å; Y247-Q250 PolarHBondContact O-N 3.14Å; Y247-Q251 HydrophobicContact CD1-CG 4.11Å; Y247-Q251 HydrophobicContact CD2-CG 4.26Å; Y247-Q251 HydrophobicContact CE1-CG 3.73Å; Y247-Q251 HydrophobicContact CE2-CG 3.92Å; Y247-Q251 HydrophobicContact CG-CG 4.35Å; Y247-Q251 WeakPolarHBondContact O-CG 3.49Å; Y247-Q251 PolarHBondContact O-N 3.43Å; Y247-C365 HydrophobicContact CE1-CB 4.2Å
248	L	89.6	Confident	88.5	Confident	6 Å²	6	35 Å²	35	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-63.8	-38.9	179.2	-67.8	175.2	0	0	0	112.3	V244 I245 Q250 Q251 T252 I362 C365 F366	V244-L248 HydrophobicContact CG1-CD1 4.12Å; V244-L248 HydrophobicContact CG1-CG 4.46Å; V244-L248 VanDerWaalsContact O-CG 3.3Å; V244-L248 WeakPolarHBondContact O-CG 3.46Å; V244-L248 PolarHBondContact O-N 3.02Å; I245-L248 PolarHBondContact O-N 3.36Å; L248-Q250 VanDerWaalsContact C-N 3.32Å; L248-Q250 PolarHBondContact O-N 3Å; L248-Q251 PolarHBondContact O-N 2.88Å; L248-T252 WeakPolarHBondContact O-CB 3.29Å; L248-T252 WeakPolarHBondContact O-CG2 3.4Å; L248-T252 PolarHBondContact O-N 3.47Å; L248-T252 PolarHBondContact O-OG1 3.49Å; L248-I362 HydrophobicContact CD2-CB 4.5Å; L248-I362 HydrophobicContact CD2-CG1 4.06Å; L248-C365 HydrophobicContact CD2-CB 3.78Å; L248-F366 HydrophobicContact CD1-CE2 3.63Å; L248-F366 HydrophobicContact CD1-CZ 3.84Å
249	Q	89.8	Confident	88.7	Confident	32 Å²	32	34.7 Å²	34.7	15%	0.15	17%	0.17	C	C	.	.	H	α-helix	trans	-59	-44.5	175.1	-76.5	174.8	-65	0	0	111.4	I245 N246 Y247 K253 S254 Q255 C257	I245-Q249 WeakPolarHBondContact O-CG 3.42Å; I245-Q249 PolarHBondContact O-N 3.36Å; N246-Q249 PolarHBondContact O-N 2.97Å; N246-Q249 PolarHBondContact OD1-OE1 3.34Å; Y247-Q249 PolarHBondContact O-N 2.88Å; Q249-K253 WeakPolarHBondContact O-CA 3.35Å; Q249-K253 PolarHBondContact O-N 3.24Å; Q249-K253 VanDerWaalsContact O-N 3.15Å; Q249-S254 PolarHBondContact O-N 3.38Å; Q249-S254 VanDerWaalsContact O-N 3.11Å; Q249-Q255 PolarHBondContact NE2-O 2.94Å; Q249-Q255 VanDerWaalsContact NE2-O 3.11Å; Q249-C257 HydrophobicContact CG-CB 3.77Å
250	Q	88.3	Confident	88.9	Confident	143 Å²	143	32.4 Å²	32.4	67%	0.668	15%	0.154	S	C	*	.	H	α-helix	trans	-67.5	-49.2	179.4	-68.7	176.5	11.3	0	0	112	N246 Y247 L248 K253	N246-Q250 WeakPolarHBondContact O-CG 3.23Å; N246-Q250 PolarHBondContact O-N 2.98Å; N246-Q250 VanDerWaalsContact O-N 3.15Å; Y247-Q250 PolarHBondContact O-N 3.14Å; L248-Q250 VanDerWaalsContact C-N 3.32Å; L248-Q250 PolarHBondContact O-N 3Å; Q250-K253 PolarHBondContact O-N 3.3Å
251	Q	86.3	Confident	88.9	Confident	58 Å²	58	32.9 Å²	32.9	27%	0.271	16%	0.156	S	C	.	.	H	α-helix	trans	-72.2	-35.9	-174.3	-61.6	-57.4	-42.8	0	0	113	Y247 L248 K253 V361	Y247-Q251 HydrophobicContact CD1-CG 4.11Å; Y247-Q251 HydrophobicContact CD2-CG 4.26Å; Y247-Q251 HydrophobicContact CE1-CG 3.73Å; Y247-Q251 HydrophobicContact CE2-CG 3.92Å; Y247-Q251 HydrophobicContact CG-CG 4.35Å; Y247-Q251 WeakPolarHBondContact O-CG 3.49Å; Y247-Q251 PolarHBondContact O-N 3.43Å; L248-Q251 PolarHBondContact O-N 2.88Å; Q251-K253 VanDerWaalsContact C-N 3.34Å; Q251-V361 HydrophobicContact CB-CG1 3.66Å
252	T	86.3	Confident	88.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-86.7	-5	177.9	65.7	0	0	0	0	113.4	L248 S254 D358 V361 I362	L248-T252 WeakPolarHBondContact O-CB 3.29Å; L248-T252 WeakPolarHBondContact O-CG2 3.4Å; L248-T252 PolarHBondContact O-N 3.47Å; L248-T252 PolarHBondContact O-OG1 3.49Å; T252-S254 PolarHBondContact O-N 3.04Å; T252-S254 WeakPolarHBondContact OG1-CB 3.33Å; T252-S254 PolarHBondContact OG1-OG 3.16Å; T252-D358 HydrophobicContact CG2-CB 4.37Å; T252-V361 HydrophobicContact CG2-CG1 4.37Å; T252-I362 HydrophobicContact CG2-CD1 4.2Å; T252-I362 HydrophobicContact CG2-CG1 3.98Å
253	K	88.6	Confident	88.2	Confident	133 Å²	133	31.7 Å²	31.7	58%	0.578	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	44.1	-172.3	-57.2	179.8	-178.4	176.9	0	111.7	Q249 Q250 Q251 Q349	Q249-K253 WeakPolarHBondContact O-CA 3.35Å; Q249-K253 PolarHBondContact O-N 3.24Å; Q249-K253 VanDerWaalsContact O-N 3.15Å; Q250-K253 PolarHBondContact O-N 3.3Å; Q251-K253 VanDerWaalsContact C-N 3.34Å; K253-Q349 HydrophobicContact CB-CB 4.47Å; K253-Q349 WeakPolarHBondContact O-CB 3.44Å; K253-Q349 VanDerWaalsContact O-CG 3.32Å; K253-Q349 WeakPolarHBondContact O-CG 3.42Å; K253-Q349 PolarHBondContact O-N 2.88Å
254	S	88.2	Confident	87.3	Confident	2 Å²	2	36 Å²	36	1%	0.014	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	145.5	179.6	-62.4	0	0	0	0	110.3	Q249 T252 F346 H354	Q249-S254 PolarHBondContact O-N 3.38Å; Q249-S254 VanDerWaalsContact O-N 3.11Å; T252-S254 PolarHBondContact O-N 3.04Å; T252-S254 WeakPolarHBondContact OG1-CB 3.33Å; T252-S254 PolarHBondContact OG1-OG 3.16Å; S254-F346 WeakPolarHBondContact CB-O 3.37Å; S254-H354 PolarHBondContact OG-NE2 3.02Å
255	Q	87.8	Confident	86.3	Confident	115 Å²	115	41.6 Å²	41.6	54%	0.537	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	-40.6	176.6	-173.3	-176.1	4.9	0	0	111.2	Q249 F346 N347	Q249-Q255 PolarHBondContact NE2-O 2.94Å; Q249-Q255 VanDerWaalsContact NE2-O 3.11Å; Q255-F346 PolarHBondContact N-O 3.19Å; Q255-F346 VanDerWaalsContact N-O 3.16Å; Q255-N347 HydrophobicContact CB-CB 3.77Å; Q255-N347 VanDerWaalsContact CB-O 3.31Å; Q255-N347 WeakPolarHBondContact CB-O 3.43Å; Q255-N347 PolarHBondContact N-O 3.49Å; Q255-N347 VanDerWaalsContact OE1-CB 3.25Å; Q255-N347 PolarHBondContact OE1-ND2 3.29Å
256	C	88.6	Confident	85.3	Confident	15 Å²	15	45.1 Å²	45.1	10%	0.101	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	142	-178.4	-171.3	0	0	0	0	110.2	F346	C256-F346 HydrophobicContact CB-CB 4.49Å; C256-F346 PolarHBondContact N-O 2.9Å; C256-F346 PolarHBondContact O-N 2.96Å
257	C	90.9	Very high	84.6	Confident	4 Å²	4	48.2 Å²	48.2	3%	0.027	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	151.3	168	-67.6	0	0	0	0	109.1	I245 Q249 G275 C344	I245-C257 HydrophobicContact CG2-CB 3.94Å; I245-C257 VanDerWaalsContact CG2-O 3.24Å; I245-C257 WeakPolarHBondContact CG2-O 3.37Å; Q249-C257 HydrophobicContact CG-CB 3.77Å; C257-G275 WeakPolarHBondContact O-CA 3.35Å; C257-G275 PolarHBondContact O-N 3.37Å; C257-C344 CarbonylContact C-O 3.58Å; C257-C344 WeakPolarHBondContact CA-O 3.41Å
258	C	90.9	Very high	84.2	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.014	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	162.8	169.6	75.3	0	0	0	0	111	V273 V274 C344	C258-V273 WeakPolarHBondContact CB-O 3.31Å; C258-V274 HydrophobicContact CB-CG2 4.25Å; C258-C344 PolarHBondContact N-O 2.74Å; C258-C344 PolarHBondContact O-N 3.45Å
259	L	90.6	Very high	83.9	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.6	175.4	-82.3	171.8	0	0	0	109.5	Q241 I245 A341 A343 F366 L373	Q241-L259 HydrophobicContact CB-CD1 4.37Å; Q241-L259 HydrophobicContact CG-CD1 4.01Å; I245-L259 HydrophobicContact CD1-CB 4.4Å; I245-L259 HydrophobicContact CD1-CD1 4.39Å; I245-L259 HydrophobicContact CD1-CG 4.34Å; I245-L259 HydrophobicContact CG1-CD1 4.22Å; I245-L259 HydrophobicContact CG1-CG 4.21Å; L259-A341 HydrophobicContact CD2-CB 4.45Å; L259-A343 HydrophobicContact CD2-CB 3.97Å; L259-F366 HydrophobicContact CD1-CE1 4.22Å; L259-F366 HydrophobicContact CD1-CZ 4.09Å; L259-F366 HydrophobicContact CD2-CE1 3.88Å; L259-F366 HydrophobicContact CD2-CE2 4.17Å; L259-F366 HydrophobicContact CD2-CZ 3.35Å; L259-F366 HydrophobicContact CG-CZ 4.18Å; L259-L373 HydrophobicContact CD1-CD1 3.83Å
260	L	88.9	Confident	83.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	104.5	173.9	-50.8	175.4	0	0	0	108.5	F270 C271 F285 A341 L342	L260-F270 CarbonylContact C-O 3.39Å; L260-F270 WeakPolarHBondContact CA-O 3.44Å; L260-C271 HydrophobicContact CD2-CB 3.75Å; L260-F285 HydrophobicContact CB-CZ 4.48Å; L260-F285 HydrophobicContact CD1-CE2 4.26Å; L260-F285 HydrophobicContact CD1-CZ 3.76Å; L260-F285 HydrophobicContact CD2-CE1 4.1Å; L260-F285 HydrophobicContact CD2-CZ 3.65Å; L260-F285 HydrophobicContact CG-CZ 4.15Å; L260-A341 CarbonylContact O-C 3.6Å; L260-A341 WeakPolarHBondContact O-CA 3.5Å; L260-L342 HydrophobicContact CB-CB 4.13Å; L260-L342 HydrophobicContact CD1-CB 4.49Å; L260-L342 PolarHBondContact N-O 3.49Å; L260-L342 PolarHBondContact O-N 3.35Å
261	L	87.4	Confident	83.6	Confident	11 Å²	11	44.3 Å²	44.3	6%	0.058	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	134.5	-178.2	-58.6	169	0	0	0	110	L269 F270 A341 L373 L377	L261-L269 CarbonylContact O-C 3.49Å; L261-L269 VanDerWaalsContact O-CA 3.31Å; L261-L269 WeakPolarHBondContact O-CA 3.48Å; L261-F270 PolarHBondContact N-O 2.81Å; L261-F270 PolarHBondContact O-N 2.94Å; L261-A341 HydrophobicContact CD2-CB 4.02Å; L261-L373 HydrophobicContact CD2-CD2 4.24Å; L261-L377 HydrophobicContact CD1-CD1 4.12Å; L261-L377 HydrophobicContact CD1-CD2 3.72Å; L261-L377 HydrophobicContact CD2-CD2 4.06Å; L261-L377 HydrophobicContact CG-CD2 4.34Å
262	V	85.1	Confident	83.5	Confident	15 Å²	15	43.1 Å²	43.1	9%	0.091	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	132.9	177	-177.1	0	0	0	0	109.3	L269 L287 V296 V339 V340	V262-L269 HydrophobicContact CB-CD2 4.39Å; V262-L269 HydrophobicContact CG2-CD2 3.72Å; V262-L287 HydrophobicContact CG1-CD1 3.83Å; V262-V296 HydrophobicContact CG2-CG2 4.16Å; V262-V339 HydrophobicContact CG2-CG1 4.28Å; V262-V340 PolarHBondContact N-O 2.91Å
263	S	78.1	Confident	83.4	Confident	8 Å²	8	43.1 Å²	43.1	6%	0.056	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-60.7	152.2	173.1	76.5	0	0	0	0	111.2	D265 N266 H267 Q268 F270	S263-D265 PolarHBondContact O-N 3.33Å; S263-N266 WeakPolarHBondContact O-CA 3.33Å; S263-N266 PolarHBondContact O-N 2.94Å; S263-N266 PolarHBondContact OG-N 3.47Å; S263-N266 VanDerWaalsContact OG-N 3.15Å; S263-H267 PolarHBondContact OG-N 3.47Å; S263-Q268 WeakPolarHBondContact CB-O 3.4Å; S263-Q268 PolarHBondContact N-O 2.89Å; S263-Q268 PolarHBondContact OG-N 3.13Å; S263-Q268 PolarHBondContact OG-O 2.69Å; S263-F270 VanDerWaalsContact CB-CE2 3.41Å
264	E	70.2	Confident	83.2	Confident	140 Å²	140	37.6 Å²	37.6	65%	0.654	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-36.8	176	-69.6	-179.7	-166.7	0	0	112	N266	E264-N266 PolarHBondContact O-N 3.4Å; E264-N266 VanDerWaalsContact O-N 3.14Å; E264-N266 PolarHBondContact O-ND2 3.24Å
265	D	68.2	Low	83	Confident	118 Å²	118	37.6 Å²	37.6	63%	0.631	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-2.4	176.6	-44.2	-21.6	0	0	0	113.3	S263 H267	S263-D265 PolarHBondContact O-N 3.33Å; D265-H267 HydrophobicContact CB-CB 4.41Å; D265-H267 PolarHBondContact O-CD2 3.28Å; D265-H267 VanDerWaalsContact O-CD2 3.28Å; D265-H267 PolarHBondContact O-N 3.47Å; D265-H267 VanDerWaalsContact O-N 3.17Å
266	N	69.9	Low	82.7	Confident	74 Å²	74	37.5 Å²	37.5	40%	0.396	19%	0.19	S	C	.	.	S	Bend	trans	52.5	29.5	-173.3	-57.6	-69.4	0	0	0	114.7	S263 E264	S263-N266 WeakPolarHBondContact O-CA 3.33Å; S263-N266 PolarHBondContact O-N 2.94Å; S263-N266 PolarHBondContact OG-N 3.47Å; S263-N266 VanDerWaalsContact OG-N 3.15Å; E264-N266 PolarHBondContact O-N 3.4Å; E264-N266 VanDerWaalsContact O-N 3.14Å; E264-N266 PolarHBondContact O-ND2 3.24Å
267	H	73	Confident	82.4	Confident	118 Å²	118	43.5 Å²	43.5	55%	0.546	21%	0.214	S	C	.	.	S	Bend	trans	-113.8	-13.8	-176	-71	-33.7	0	0	0	114	S263 D265 L287	S263-H267 PolarHBondContact OG-N 3.47Å; D265-H267 HydrophobicContact CB-CB 4.41Å; D265-H267 PolarHBondContact O-CD2 3.28Å; D265-H267 VanDerWaalsContact O-CD2 3.28Å; D265-H267 PolarHBondContact O-N 3.47Å; D265-H267 VanDerWaalsContact O-N 3.17Å; H267-L287 VanDerWaalsContact C-CB 3.41Å; H267-L287 VanDerWaalsContact O-CB 3.3Å; H267-L287 WeakPolarHBondContact O-CB 3.4Å; H267-L287 PolarHBondContact O-N 2.81Å
268	Q	81.4	Confident	82.1	Confident	73 Å²	73	46.8 Å²	46.8	34%	0.341	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	153.3	179.4	-63.8	-172.7	-20	0	0	112.1	S263 F270 F285	S263-Q268 WeakPolarHBondContact CB-O 3.4Å; S263-Q268 PolarHBondContact N-O 2.89Å; S263-Q268 PolarHBondContact OG-N 3.13Å; S263-Q268 PolarHBondContact OG-O 2.69Å; Q268-F270 HydrophobicContact CB-CE1 4.27Å; Q268-F270 HydrophobicContact CB-CE2 4.04Å; Q268-F270 HydrophobicContact CB-CZ 3.73Å; Q268-F270 VanDerWaalsContact OE1-CZ 3.26Å; Q268-F285 CarbonylContact C-O 3.58Å; Q268-F285 WeakPolarHBondContact CA-O 3.44Å
269	L	83.4	Confident	81.6	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	134.5	170.3	-68.2	171.4	0	0	0	108.7	L261 V262 S284 F285 L287 F292 L342	L261-L269 CarbonylContact O-C 3.49Å; L261-L269 VanDerWaalsContact O-CA 3.31Å; L261-L269 WeakPolarHBondContact O-CA 3.48Å; V262-L269 HydrophobicContact CB-CD2 4.39Å; V262-L269 HydrophobicContact CG2-CD2 3.72Å; L269-S284 CarbonylContact O-C 3.6Å; L269-S284 VanDerWaalsContact O-CA 3.29Å; L269-S284 WeakPolarHBondContact O-CA 3.41Å; L269-F285 HydrophobicContact CB-CD2 3.75Å; L269-F285 HydrophobicContact CB-CE1 4.29Å; L269-F285 HydrophobicContact CB-CE2 3.41Å; L269-F285 VanDerWaalsContact CB-CE2 3.41Å; L269-F285 HydrophobicContact CB-CG 4.37Å; L269-F285 HydrophobicContact CB-CZ 3.7Å; L269-F285 HydrophobicContact CD1-CD2 3.99Å; L269-F285 HydrophobicContact CD1-CE2 3.39Å; L269-F285 HydrophobicContact CD1-CZ 4.23Å; L269-F285 HydrophobicContact CG-CD2 4.4Å; L269-F285 HydrophobicContact CG-CE2 4Å; L269-F285 PolarHBondContact N-O 3.24Å; L269-F285 PolarHBondContact O-N 2.95Å; L269-L287 HydrophobicContact CD1-CG 4.42Å; L269-L287 HydrophobicContact CD2-CD1 3.85Å; L269-L287 HydrophobicContact CD2-CG 4.41Å; L269-L287 HydrophobicContact CG-CD1 3.89Å; L269-L287 HydrophobicContact CG-CG 4.05Å; L269-F292 HydrophobicContact CD1-CB 4.03Å; L269-L342 HydrophobicContact CD1-CD1 3.91Å; L269-L342 HydrophobicContact CD2-CD1 4.07Å; L269-L342 HydrophobicContact CD2-CG 4.41Å
270	F	85.6	Confident	80.6	Confident	43 Å²	43	59 Å²	59	19%	0.189	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141	-179.5	-54.9	-80.6	0	0	0	110.9	L260 L261 S263 Q268 I283 S284	L260-F270 CarbonylContact C-O 3.39Å; L260-F270 WeakPolarHBondContact CA-O 3.44Å; L261-F270 PolarHBondContact N-O 2.81Å; L261-F270 PolarHBondContact O-N 2.94Å; S263-F270 VanDerWaalsContact CB-CE2 3.41Å; Q268-F270 HydrophobicContact CB-CE1 4.27Å; Q268-F270 HydrophobicContact CB-CE2 4.04Å; Q268-F270 HydrophobicContact CB-CZ 3.73Å; Q268-F270 VanDerWaalsContact OE1-CZ 3.26Å; F270-I283 CarbonylContact C-O 3.57Å; F270-I283 WeakPolarHBondContact CA-O 3.33Å; F270-S284 VanDerWaalsContact CD1-CB 3.46Å
271	C	85.5	Confident	79.7	Confident	0 Å²	0	67 Å²	67	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	119.6	175.7	-171.4	0	0	0	0	109.9	L260 V274 I283	L260-C271 HydrophobicContact CD2-CB 3.75Å; C271-V274 VanDerWaalsContact SG-CG2 3.57Å; C271-I283 PolarHBondContact N-O 3.1Å; C271-I283 PolarHBondContact O-N 2.9Å; C271-I283 VanDerWaalsContact O-N 3.07Å
272	Q	84.1	Confident	79.2	Confident	33 Å²	33	71.5 Å²	71.5	15%	0.154	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-31.8	174.9	-97.8	-178.9	-21.5	0	0	112.8	L279 E282	Q272-L279 WeakPolarHBondContact O-CB 3.35Å; Q272-L279 WeakPolarHBondContact O-CG 3.45Å; Q272-L279 PolarHBondContact O-N 3.12Å; Q272-E282 VanDerWaalsContact CD-OE1 3.31Å; Q272-E282 HydrophobicContact CG-CG 3.56Å; Q272-E282 WeakPolarHBondContact CG-OE1 3.49Å; Q272-E282 PolarHBondContact NE2-OE1 3.47Å
273	V	84.9	Confident	79	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	127.3	-171.2	-172.5	0	0	0	0	110.4	A238 Q241 L242 I245 C258 K277 V278	A238-V273 HydrophobicContact CB-CG2 4.04Å; Q241-V273 HydrophobicContact CB-CB 4.21Å; Q241-V273 HydrophobicContact CB-CG2 3.82Å; L242-V273 HydrophobicContact CB-CG1 4.3Å; I245-V273 HydrophobicContact CD1-CB 3.74Å; I245-V273 HydrophobicContact CD1-CG1 3.64Å; C258-V273 WeakPolarHBondContact CB-O 3.31Å; V273-K277 WeakPolarHBondContact CA-O 3.35Å; V273-V278 HydrophobicContact CG2-CG2 4.19Å
274	V	84.9	Confident	78.9	Confident	16 Å²	16	76.4 Å²	76.4	10%	0.097	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	113.1	178.5	177.8	0	0	0	0	108.9	C258 C271 D276 K277 L279 L319	C258-V274 HydrophobicContact CB-CG2 4.25Å; C271-V274 VanDerWaalsContact SG-CG2 3.57Å; V274-D276 PolarHBondContact O-N 3.05Å; V274-K277 PolarHBondContact N-O 2.81Å; V274-K277 PolarHBondContact O-N 2.89Å; V274-K277 VanDerWaalsContact O-N 3.1Å; V274-L279 HydrophobicContact CG2-CD1 4.02Å; V274-L279 HydrophobicContact CG2-CG 4.47Å; V274-L319 HydrophobicContact CG1-CD2 3.56Å
275	G	83.9	Confident	79.3	Confident	2 Å²	2	71.6 Å²	71.6	2%	0.021	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	-122.2	-173.5	0	0	0	0	0	111.5	I245 C257	I245-G275 VanDerWaalsContact CG2-O 3.23Å; I245-G275 WeakPolarHBondContact CG2-O 3.33Å; C257-G275 WeakPolarHBondContact O-CA 3.35Å; C257-G275 PolarHBondContact O-N 3.37Å
276	D	81.2	Confident	79.6	Confident	114 Å²	114	69.3 Å²	69.3	61%	0.61	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	3.4	179.5	62.1	-32.3	0	0	0	113.8	V274	V274-D276 PolarHBondContact O-N 3.05Å
277	K	82.6	Confident	79.6	Confident	140 Å²	140	66.5 Å²	66.5	61%	0.609	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.6	-174.9	-64.4	-178.1	-178	-179.9	0	112.3	V273 V274	V273-K277 WeakPolarHBondContact CA-O 3.35Å; V274-K277 PolarHBondContact N-O 2.81Å; V274-K277 PolarHBondContact O-N 2.89Å; V274-K277 VanDerWaalsContact O-N 3.1Å
278	V	84.1	Confident	78.8	Confident	74 Å²	74	68.9 Å²	68.9	45%	0.448	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	129.2	163.2	-174.5	0	0	0	0	107.9	A238 L242 V273	A238-V278 HydrophobicContact CB-CG1 3.86Å; A238-V278 HydrophobicContact CB-CG2 4.22Å; L242-V278 HydrophobicContact CD1-CG2 4.09Å; V273-V278 HydrophobicContact CG2-CG2 4.19Å
279	L	80.3	Confident	77.3	Confident	53 Å²	53	70 Å²	70	28%	0.277	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	142.8	-180	-58.8	175	0	0	0	110.4	Q272 V274 E281 I283	Q272-L279 WeakPolarHBondContact O-CB 3.35Å; Q272-L279 WeakPolarHBondContact O-CG 3.45Å; Q272-L279 PolarHBondContact O-N 3.12Å; V274-L279 HydrophobicContact CG2-CD1 4.02Å; V274-L279 HydrophobicContact CG2-CG 4.47Å; L279-E281 WeakPolarHBondContact CB-O 3.4Å; L279-I283 HydrophobicContact CD1-CD1 3.63Å; L279-I283 HydrophobicContact CD1-CG1 3.9Å
280	E	69.7	Low	76.4	Confident	206 Å²	206	71.8 Å²	71.8	96%	0.963	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	-34.9	175.3	-68.3	-178.4	174.7	0	0	112
281	E	70.2	Confident	75.9	Confident	167 Å²	167	75 Å²	75	78%	0.78	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.5	137.3	172.8	-69	-171.3	168	0	0	110.4	L279 I283	L279-E281 WeakPolarHBondContact CB-O 3.4Å; E281-I283 PolarHBondContact O-N 3.13Å
282	E	76.2	Confident	75.6	Confident	107 Å²	107	75.5 Å²	75.5	50%	0.5	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	131.4	176.5	-57.2	-169.7	-179	0	0	111	Q272	Q272-E282 VanDerWaalsContact CD-OE1 3.31Å; Q272-E282 HydrophobicContact CG-CG 3.56Å; Q272-E282 WeakPolarHBondContact CG-OE1 3.49Å; Q272-E282 PolarHBondContact NE2-OE1 3.47Å
283	I	80.9	Confident	75.2	Confident	61 Å²	61	74.4 Å²	74.4	31%	0.313	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	116.1	175.9	-60.1	173.5	0	0	0	108.3	F270 C271 L279 E281 F285 M318	F270-I283 CarbonylContact C-O 3.57Å; F270-I283 WeakPolarHBondContact CA-O 3.33Å; C271-I283 PolarHBondContact N-O 3.1Å; C271-I283 PolarHBondContact O-N 2.9Å; C271-I283 VanDerWaalsContact O-N 3.07Å; L279-I283 HydrophobicContact CD1-CD1 3.63Å; L279-I283 HydrophobicContact CD1-CG1 3.9Å; E281-I283 PolarHBondContact O-N 3.13Å; I283-F285 HydrophobicContact CG2-CD1 4.35Å; I283-M318 HydrophobicContact CD1-CG 3.71Å; I283-M318 HydrophobicContact CG2-CE 4.24Å
284	S	77.4	Confident	74.9	Confident	65 Å²	65	78.5 Å²	78.5	46%	0.455	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	139.2	176.7	71.9	0	0	0	0	112.2	L269 F270	L269-S284 CarbonylContact O-C 3.6Å; L269-S284 VanDerWaalsContact O-CA 3.29Å; L269-S284 WeakPolarHBondContact O-CA 3.41Å; F270-S284 VanDerWaalsContact CD1-CB 3.46Å
285	F	77.4	Confident	74.8	Confident	38 Å²	38	77.8 Å²	77.8	17%	0.167	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	144.8	171.7	42.8	-81.3	0	0	0	112	L260 Q268 L269 I283 M318	L260-F285 HydrophobicContact CB-CZ 4.48Å; L260-F285 HydrophobicContact CD1-CE2 4.26Å; L260-F285 HydrophobicContact CD1-CZ 3.76Å; L260-F285 HydrophobicContact CD2-CE1 4.1Å; L260-F285 HydrophobicContact CD2-CZ 3.65Å; L260-F285 HydrophobicContact CG-CZ 4.15Å; Q268-F285 CarbonylContact C-O 3.58Å; Q268-F285 WeakPolarHBondContact CA-O 3.44Å; L269-F285 HydrophobicContact CB-CD2 3.75Å; L269-F285 HydrophobicContact CB-CE1 4.29Å; L269-F285 HydrophobicContact CB-CE2 3.41Å; L269-F285 VanDerWaalsContact CB-CE2 3.41Å; L269-F285 HydrophobicContact CB-CG 4.37Å; L269-F285 HydrophobicContact CB-CZ 3.7Å; L269-F285 HydrophobicContact CD1-CD2 3.99Å; L269-F285 HydrophobicContact CD1-CE2 3.39Å; L269-F285 HydrophobicContact CD1-CZ 4.23Å; L269-F285 HydrophobicContact CG-CD2 4.4Å; L269-F285 HydrophobicContact CG-CE2 4Å; L269-F285 PolarHBondContact N-O 3.24Å; L269-F285 PolarHBondContact O-N 2.95Å; I283-F285 HydrophobicContact CG2-CD1 4.35Å; F285-M318 HydrophobicContact CD1-CE 4.04Å; F285-M318 HydrophobicContact CE1-CE 3.4Å; F285-M318 HydrophobicContact CZ-CE 3.97Å
286	P	74.4	Confident	74.8	Confident	70 Å²	70	78.6 Å²	78.6	46%	0.455	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	134.3	-176.5	26.1	-32	0	0	0	112.1	M288 F289	P286-M288 PolarHBondContact O-N 3.46Å; P286-F289 HydrophobicContact CG-CB 4.32Å; P286-F289 WeakPolarHBondContact O-CB 2.98Å; P286-F289 PolarHBondContact O-N 3.46Å; P286-F289 VanDerWaalsContact O-N 3.12Å
287	L	69.9	Low	74.9	Confident	16 Å²	16	80.7 Å²	80.7	8%	0.084	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-19.7	-176.3	-141.1	145.9	0	0	0	112.2	V262 H267 L269 F289 V296	V262-L287 HydrophobicContact CG1-CD1 3.83Å; H267-L287 VanDerWaalsContact C-CB 3.41Å; H267-L287 VanDerWaalsContact O-CB 3.3Å; H267-L287 WeakPolarHBondContact O-CB 3.4Å; H267-L287 PolarHBondContact O-N 2.81Å; L269-L287 HydrophobicContact CD1-CG 4.42Å; L269-L287 HydrophobicContact CD2-CD1 3.85Å; L269-L287 HydrophobicContact CD2-CG 4.41Å; L269-L287 HydrophobicContact CG-CD1 3.89Å; L269-L287 HydrophobicContact CG-CG 4.05Å; L287-F289 PolarHBondContact O-N 2.99Å; L287-V296 HydrophobicContact CD1-CG2 4.46Å; L287-V296 HydrophobicContact CD2-CB 4.1Å; L287-V296 HydrophobicContact CD2-CG1 4.34Å; L287-V296 HydrophobicContact CD2-CG2 4.03Å
288	M	57.2	Low	74.9	Confident	168 Å²	168	79.9 Å²	79.9	83%	0.828	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-8.1	171.1	-66.4	-63.3	-70.3	0	0	113.7	P286	P286-M288 PolarHBondContact O-N 3.46Å
289	F	50.3	Low	75.1	Confident	95 Å²	95	81.3 Å²	81.3	42%	0.417	40%	0.402	S	S	.	.	S	Bend	trans	-99.4	109.4	178.6	-145.3	-95.7	0	0	0	109.4	P286 L287 E310	P286-F289 HydrophobicContact CG-CB 4.32Å; P286-F289 WeakPolarHBondContact O-CB 2.98Å; P286-F289 PolarHBondContact O-N 3.46Å; P286-F289 VanDerWaalsContact O-N 3.12Å; L287-F289 PolarHBondContact O-N 2.99Å; F289-E310 HydrophobicContact CE1-CG 4.39Å
290	G	64	Low	75.4	Confident	39 Å²	39	85.9 Å²	85.9	40%	0.402	42%	0.42	S	S	.	.	S	Bend	trans	96.7	-168.5	162.5	0	0	0	0	0	118	F292 E311	G290-F292 VanDerWaalsContact C-N 3.32Å; G290-E311 WeakPolarHBondContact CA-OE1 3.47Å
291	R	74.4	Confident	76.3	Confident	112 Å²	112	77.8 Å²	77.8	42%	0.423	39%	0.386	S	S	.	.	S	Bend	trans	-78.7	-13.8	-178.1	-64.9	-130	-162.8	141.9	0.1	112.8	G293 Q294 V295 I302 D306 E311	R291-G293 VanDerWaalsContact C-N 3.34Å; R291-G293 PolarHBondContact O-N 3.1Å; R291-Q294 WeakPolarHBondContact O-CB 3.19Å; R291-Q294 PolarHBondContact O-N 3.21Å; R291-Q294 VanDerWaalsContact O-N 3.11Å; R291-V295 WeakPolarHBondContact O-CG2 3.33Å; R291-V295 PolarHBondContact O-N 3.29Å; R291-I302 HydrophobicContact CB-CD1 4.5Å; R291-D306 WeakPolarHBondContact CD-O 3.44Å; R291-D306 WeakPolarHBondContact CG-O 3.35Å; R291-D306 PolarHBondContact NE-O 3.1Å; R291-D306 VanDerWaalsContact NH1-CA 3.27Å; R291-D306 PolarHBondContact NH1-O 3.07Å; R291-D306 IonicContact NH1-OD1 2.77Å; R291-E311 PolarHBondContact N-OE1 2.9Å
292	F	78.8	Confident	77.2	Confident	10 Å²	10	70.9 Å²	70.9	4%	0.044	35%	0.354	C	S	.	.	H	α-helix	trans	-62.5	-35.5	174.3	-69	-71.1	0	0	0	113.3	L269 G290 Q294 V295 V296 I302 I307 L315 M326 C328 L342	L269-F292 HydrophobicContact CD1-CB 4.03Å; G290-F292 VanDerWaalsContact C-N 3.32Å; F292-Q294 VanDerWaalsContact C-N 3.27Å; F292-Q294 PolarHBondContact O-N 3.04Å; F292-V295 VanDerWaalsContact O-CB 3.26Å; F292-V295 WeakPolarHBondContact O-CB 3.28Å; F292-V295 PolarHBondContact O-N 2.95Å; F292-V296 PolarHBondContact O-N 3.44Å; F292-I302 HydrophobicContact CD1-CD1 4.12Å; F292-I302 HydrophobicContact CE1-CD1 4.05Å; F292-I307 HydrophobicContact CE2-CG2 4.22Å; F292-I307 HydrophobicContact CZ-CG2 4.09Å; F292-L315 HydrophobicContact CE2-CD1 3.92Å; F292-L315 HydrophobicContact CZ-CD1 3.68Å; F292-M326 HydrophobicContact CE1-CE 4.3Å; F292-M326 HydrophobicContact CZ-CE 4.14Å; F292-M326 HydrophobicContact CZ-SD 4.26Å; F292-C328 HydrophobicContact CE1-CB 4.24Å; F292-L342 HydrophobicContact CB-CD1 4.25Å; F292-L342 HydrophobicContact CD1-CD1 3.92Å
293	G	76.8	Confident	77.7	Confident	9 Å²	9	67.6 Å²	67.6	9%	0.093	34%	0.343	C	S	.	.	H	α-helix	trans	-62	-35.3	172.2	0	0	0	0	0	113	R291 V295 V296 E297	R291-G293 VanDerWaalsContact C-N 3.34Å; R291-G293 PolarHBondContact O-N 3.1Å; G293-V295 VanDerWaalsContact C-N 3.3Å; G293-V295 PolarHBondContact O-N 3.3Å; G293-V296 PolarHBondContact O-N 3.27Å; G293-E297 PolarHBondContact O-N 2.95Å
294	Q	77.4	Confident	77.9	Confident	87 Å²	87	66.2 Å²	66.2	41%	0.407	34%	0.336	S	S	.	.	H	α-helix	trans	-69.6	-27.5	173.7	-58.6	-171.6	17.5	0	0	112.7	R291 F292 V296 K298	R291-Q294 WeakPolarHBondContact O-CB 3.19Å; R291-Q294 PolarHBondContact O-N 3.21Å; R291-Q294 VanDerWaalsContact O-N 3.11Å; F292-Q294 VanDerWaalsContact C-N 3.27Å; F292-Q294 PolarHBondContact O-N 3.04Å; Q294-V296 VanDerWaalsContact C-N 3.35Å; Q294-K298 HydrophobicContact CB-CD 4.39Å; Q294-K298 WeakPolarHBondContact O-CB 3.32Å; Q294-K298 WeakPolarHBondContact O-CG 3.33Å; Q294-K298 PolarHBondContact O-N 2.99Å
295	V	83.2	Confident	78	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.006	34%	0.343	C	S	.	.	H	α-helix	trans	-64.4	-44	173	-177.3	0	0	0	0	109.9	R291 F292 G293 K299 K300 I302 P330 L342	R291-V295 WeakPolarHBondContact O-CG2 3.33Å; R291-V295 PolarHBondContact O-N 3.29Å; F292-V295 VanDerWaalsContact O-CB 3.26Å; F292-V295 WeakPolarHBondContact O-CB 3.28Å; F292-V295 PolarHBondContact O-N 2.95Å; G293-V295 VanDerWaalsContact C-N 3.3Å; G293-V295 PolarHBondContact O-N 3.3Å; V295-K299 VanDerWaalsContact O-CA 3.26Å; V295-K299 WeakPolarHBondContact O-CA 3.37Å; V295-K299 PolarHBondContact O-N 3.31Å; V295-K300 WeakPolarHBondContact CG1-O 3.13Å; V295-I302 HydrophobicContact CG2-CB 4.18Å; V295-I302 HydrophobicContact CG2-CD1 3.36Å; V295-I302 HydrophobicContact CG2-CG1 3.51Å; V295-I302 HydrophobicContact CG2-CG2 3.67Å; V295-P330 HydrophobicContact CG1-CB 3.95Å; V295-P330 HydrophobicContact CG1-CG 4.04Å; V295-L342 HydrophobicContact CB-CD2 4.26Å; V295-L342 HydrophobicContact CG1-CD2 3.58Å
296	V	84.6	Confident	78.2	Confident	19 Å²	19	69.9 Å²	69.9	12%	0.115	35%	0.348	C	S	.	.	H	α-helix	trans	-65.3	-44.7	177.8	175.5	0	0	0	0	111.2	V262 L287 F292 G293 Q294 V339 L342	V262-V296 HydrophobicContact CG2-CG2 4.16Å; L287-V296 HydrophobicContact CD1-CG2 4.46Å; L287-V296 HydrophobicContact CD2-CB 4.1Å; L287-V296 HydrophobicContact CD2-CG1 4.34Å; L287-V296 HydrophobicContact CD2-CG2 4.03Å; F292-V296 PolarHBondContact O-N 3.44Å; G293-V296 PolarHBondContact O-N 3.27Å; Q294-V296 VanDerWaalsContact C-N 3.35Å; V296-V339 HydrophobicContact CG1-CB 4.25Å; V296-V339 HydrophobicContact CG2-CG1 4.33Å; V296-V339 WeakPolarHBondContact O-CG2 3.32Å; V296-L342 HydrophobicContact CG2-CD1 4.32Å; V296-L342 HydrophobicContact CG2-CD2 4.08Å; V296-L342 HydrophobicContact CG2-CG 4.49Å
297	E	82.3	Confident	78.5	Confident	157 Å²	157	67.4 Å²	67.4	73%	0.734	33%	0.331	S	S	*	.	H	α-helix	trans	-71.1	-48.8	179.3	-71.9	-179.3	172.4	0	0	113.5	G293	G293-E297 PolarHBondContact O-N 2.95Å
298	K	83.8	Confident	79.1	Confident	124 Å²	124	69.2 Å²	69.2	54%	0.539	35%	0.345	S	S	.	.	H	α-helix	trans	-88	-12.8	-172.3	-61.8	176.7	179.7	166.2	0	113.3	Q294 K300	Q294-K298 HydrophobicContact CB-CD 4.39Å; Q294-K298 WeakPolarHBondContact O-CB 3.32Å; Q294-K298 WeakPolarHBondContact O-CG 3.33Å; Q294-K298 PolarHBondContact O-N 2.99Å; K298-K300 HydrophobicContact CB-CG 4.47Å; K298-K300 PolarHBondContact O-N 3.1Å
299	K	87.3	Confident	80.1	Confident	103 Å²	103	64.7 Å²	64.7	45%	0.448	34%	0.335	S	S	.	.			trans	53.9	36	-177.2	-55.4	176.1	178.8	173.8	0	113	V295 V332 G337 V339	V295-K299 VanDerWaalsContact O-CA 3.26Å; V295-K299 WeakPolarHBondContact O-CA 3.37Å; V295-K299 PolarHBondContact O-N 3.31Å; K299-V332 HydrophobicContact CB-CG2 4.47Å; K299-V332 HydrophobicContact CD-CG2 4.24Å; K299-V332 HydrophobicContact CG-CG2 4.39Å; K299-G337 VanDerWaalsContact CE-O 3.29Å; K299-G337 WeakPolarHBondContact CE-O 3.37Å; K299-G337 PolarHBondContact NZ-O 3.38Å; K299-V339 HydrophobicContact CG-CG2 3.81Å
300	K	87.4	Confident	81.5	Confident	150 Å²	150	65 Å²	65	65%	0.652	34%	0.337	S	S	*	.			trans	-114.4	137.5	178.6	-70.6	-170	177.8	-170.6	0	110.4	V295 K298	V295-K300 WeakPolarHBondContact CG1-O 3.13Å; K298-K300 HydrophobicContact CB-CG 4.47Å; K298-K300 PolarHBondContact O-N 3.1Å
301	S	88.3	Confident	82.1	Confident	36 Å²	36	63.4 Å²	63.4	25%	0.252	32%	0.32	S	S	.	.			trans	-61	150.4	172.4	59	0	0	0	0	111.1	C328 E359	S301-C328 CarbonylContact C-O 3.59Å; S301-C328 WeakPolarHBondContact CA-O 3.38Å; S301-C328 WeakPolarHBondContact CB-O 3.39Å; S301-E359 VanDerWaalsContact CB-CD 3.45Å; S301-E359 VanDerWaalsContact CB-OE1 3.24Å; S301-E359 WeakPolarHBondContact CB-OE1 3.45Å; S301-E359 WeakPolarHBondContact CB-OE2 3.48Å; S301-E359 PolarHBondContact OG-OE1 3.31Å; S301-E359 PolarHBondContact OG-OE2 2.97Å
302	I	89.4	Confident	82.4	Confident	22 Å²	22	63.3 Å²	63.3	11%	0.113	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	154.7	175.8	63.2	166.2	0	0	0	110.8	R291 F292 V295 D306 I307 M326 C328	R291-I302 HydrophobicContact CB-CD1 4.5Å; F292-I302 HydrophobicContact CD1-CD1 4.12Å; F292-I302 HydrophobicContact CE1-CD1 4.05Å; V295-I302 HydrophobicContact CG2-CB 4.18Å; V295-I302 HydrophobicContact CG2-CD1 3.36Å; V295-I302 HydrophobicContact CG2-CG1 3.51Å; V295-I302 HydrophobicContact CG2-CG2 3.67Å; I302-D306 HydrophobicContact CB-CB 3.91Å; I302-D306 HydrophobicContact CG2-CB 4.26Å; I302-I307 HydrophobicContact CD1-CG2 4Å; I302-M326 HydrophobicContact CD1-CE 4.24Å; I302-M326 HydrophobicContact CG1-CE 4.24Å; I302-C328 HydrophobicContact CD1-CB 4.5Å; I302-C328 HydrophobicContact CG1-CB 3.76Å; I302-C328 PolarHBondContact N-O 3.44Å; I302-C328 PolarHBondContact O-N 2.61Å
303	S	87.2	Confident	82.5	Confident	38 Å²	38	71.3 Å²	71.3	27%	0.266	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	176.2	-179.7	74.4	0	0	0	0	111.9	Q305 D306 M326	S303-Q305 PolarHBondContact O-N 3.25Å; S303-Q305 VanDerWaalsContact O-N 3.1Å; S303-Q305 PolarHBondContact OG-N 3.15Å; S303-D306 PolarHBondContact N-OD2 3.11Å; S303-D306 WeakPolarHBondContact O-CB 3.31Å; S303-D306 PolarHBondContact O-N 3.38Å; S303-D306 PolarHBondContact OG-OD2 3.35Å; S303-M326 WeakPolarHBondContact CA-O 3.46Å
304	L	84.8	Confident	82.5	Confident	32 Å²	32	75.6 Å²	75.6	17%	0.168	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-56.3	-27.1	176.3	-171.6	62.7	0	0	0	114	D306 I307 R312 I323 S324 M326	L304-D306 PolarHBondContact O-N 3.4Å; L304-I307 HydrophobicContact CD1-CD1 3.73Å; L304-I307 HydrophobicContact CD1-CG1 4.05Å; L304-I307 WeakPolarHBondContact O-CG1 3.28Å; L304-R312 HydrophobicContact CD1-CG 4.29Å; L304-I323 HydrophobicContact CD1-CG2 3.77Å; L304-I323 HydrophobicContact CD2-CG2 4.45Å; L304-S324 WeakPolarHBondContact CD2-O 3.4Å; L304-M326 HydrophobicContact CB-CB 3.97Å; L304-M326 HydrophobicContact CD1-CB 4.12Å; L304-M326 PolarHBondContact N-O 2.9Å
305	Q	80.3	Confident	82.6	Confident	125 Å²	125	71.8 Å²	71.8	58%	0.584	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-73.8	-17.1	178.7	-70.3	169.6	69	0	0	112.6	S303	S303-Q305 PolarHBondContact O-N 3.25Å; S303-Q305 VanDerWaalsContact O-N 3.1Å; S303-Q305 PolarHBondContact OG-N 3.15Å
306	D	80.8	Confident	82.6	Confident	54 Å²	54	73 Å²	73	29%	0.289	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-90.5	-11.3	-176.4	-58.8	-61.2	0	0	0	112.5	R291 I302 S303 L304	R291-D306 WeakPolarHBondContact CD-O 3.44Å; R291-D306 WeakPolarHBondContact CG-O 3.35Å; R291-D306 PolarHBondContact NE-O 3.1Å; R291-D306 VanDerWaalsContact NH1-CA 3.27Å; R291-D306 PolarHBondContact NH1-O 3.07Å; R291-D306 IonicContact NH1-OD1 2.77Å; I302-D306 HydrophobicContact CB-CB 3.91Å; I302-D306 HydrophobicContact CG2-CB 4.26Å; S303-D306 PolarHBondContact N-OD2 3.11Å; S303-D306 WeakPolarHBondContact O-CB 3.31Å; S303-D306 PolarHBondContact O-N 3.38Å; S303-D306 PolarHBondContact OG-OD2 3.35Å; L304-D306 PolarHBondContact O-N 3.4Å
307	I	81.5	Confident	82.4	Confident	19 Å²	19	76.8 Å²	76.8	10%	0.097	39%	0.385	C	S	.	.	S	Bend	trans	-99.2	150.7	179.5	66.1	167.8	0	0	0	112.2	F292 I302 L304 E311 R312 L315 M326	F292-I307 HydrophobicContact CE2-CG2 4.22Å; F292-I307 HydrophobicContact CZ-CG2 4.09Å; I302-I307 HydrophobicContact CD1-CG2 4Å; L304-I307 HydrophobicContact CD1-CD1 3.73Å; L304-I307 HydrophobicContact CD1-CG1 4.05Å; L304-I307 WeakPolarHBondContact O-CG1 3.28Å; I307-E311 HydrophobicContact CB-CB 4.26Å; I307-R312 HydrophobicContact CD1-CB 3.94Å; I307-R312 HydrophobicContact CD1-CG 4.45Å; I307-L315 HydrophobicContact CD1-CD1 4.07Å; I307-M326 HydrophobicContact CD1-CE 4.31Å; I307-M326 HydrophobicContact CD1-SD 4.01Å; I307-M326 HydrophobicContact CG2-CE 3.64Å
308	S	81.7	Confident	82.3	Confident	53 Å²	53	71 Å²	71	37%	0.371	36%	0.358	S	S	.	.			trans	-72.9	162.3	174.8	69.6	0	0	0	0	112.4	E310 E311 R312	S308-E310 PolarHBondContact O-N 2.9Å; S308-E311 WeakPolarHBondContact CA-OE2 3.46Å; S308-E311 VanDerWaalsContact CB-OE2 3.22Å; S308-E311 WeakPolarHBondContact CB-OE2 3.01Å; S308-E311 PolarHBondContact N-OE2 3.46Å; S308-E311 PolarHBondContact O-N 3.15Å; S308-E311 WeakPolarHBondContact OG-CG 3.33Å; S308-E311 PolarHBondContact OG-N 2.68Å; S308-E311 PolarHBondContact OG-OE2 3.07Å; S308-R312 PolarHBondContact O-N 3.48Å
309	A	78.6	Confident	82.1	Confident	74 Å²	74	66.2 Å²	66.2	61%	0.612	34%	0.338	S	S	*	.	H	α-helix	trans	-67.1	-17.9	177	0	0	0	0	0	113.9	R313	A309-R313 PolarHBondContact O-N 2.81Å; A309-R313 PolarHBondContact O-NE 3.39Å
310	E	78.8	Confident	81.6	Confident	101 Å²	101	64.7 Å²	64.7	47%	0.472	35%	0.352	S	S	.	.	H	α-helix	trans	-80.9	-47.5	174.9	-173.3	168.1	-172	0	0	111	F289 S308 R312 R313 Q314	F289-E310 HydrophobicContact CE1-CG 4.39Å; S308-E310 PolarHBondContact O-N 2.9Å; E310-R312 VanDerWaalsContact C-N 3.3Å; E310-R312 PolarHBondContact O-N 3.27Å; E310-R313 WeakPolarHBondContact O-CB 3.45Å; E310-R313 PolarHBondContact O-N 3.09Å; E310-Q314 PolarHBondContact O-N 2.92Å
311	E	75.9	Confident	81.3	Confident	6 Å²	6	59.4 Å²	59.4	3%	0.028	33%	0.334	C	S	.	.	H	α-helix	trans	-58.6	-42.2	173.4	-70.8	163.3	118.4	0	0	111.4	G290 R291 I307 S308 R313 Q314 L315	G290-E311 WeakPolarHBondContact CA-OE1 3.47Å; R291-E311 PolarHBondContact N-OE1 2.9Å; I307-E311 HydrophobicContact CB-CB 4.26Å; S308-E311 WeakPolarHBondContact CA-OE2 3.46Å; S308-E311 VanDerWaalsContact CB-OE2 3.22Å; S308-E311 WeakPolarHBondContact CB-OE2 3.01Å; S308-E311 PolarHBondContact N-OE2 3.46Å; S308-E311 PolarHBondContact O-N 3.15Å; S308-E311 WeakPolarHBondContact OG-CG 3.33Å; S308-E311 PolarHBondContact OG-N 2.68Å; S308-E311 PolarHBondContact OG-OE2 3.07Å; E311-R313 VanDerWaalsContact C-N 3.28Å; E311-R313 PolarHBondContact O-N 3.38Å; E311-Q314 PolarHBondContact O-N 2.86Å; E311-L315 WeakPolarHBondContact O-CB 3.22Å; E311-L315 WeakPolarHBondContact O-CG 3.26Å; E311-L315 PolarHBondContact O-N 3.08Å
312	R	81.9	Confident	81	Confident	109 Å²	109	65.8 Å²	65.8	41%	0.411	36%	0.359	S	S	.	.	H	α-helix	trans	-61.1	-37.4	176.3	-172.1	175.8	177.7	-164.8	-4.5	112.1	L304 I307 S308 E310 S316 I323	L304-R312 HydrophobicContact CD1-CG 4.29Å; I307-R312 HydrophobicContact CD1-CB 3.94Å; I307-R312 HydrophobicContact CD1-CG 4.45Å; S308-R312 PolarHBondContact O-N 3.48Å; E310-R312 VanDerWaalsContact C-N 3.3Å; E310-R312 PolarHBondContact O-N 3.27Å; R312-S316 VanDerWaalsContact O-CB 3.3Å; R312-S316 WeakPolarHBondContact O-CB 3.27Å; R312-S316 PolarHBondContact O-N 2.88Å; R312-S316 PolarHBondContact O-OG 2.68Å; R312-I323 VanDerWaalsContact CZ-O 3.25Å; R312-I323 PolarHBondContact NE-O 2.79Å; R312-I323 PolarHBondContact NH2-O 2.79Å
313	R	80.1	Confident	80.8	Confident	179 Å²	179	64.8 Å²	64.8	68%	0.675	35%	0.354	S	S	*	.	H	α-helix	trans	-69.4	-43.1	176.5	-88.4	-175.1	-77.1	167.6	-3.1	112	A309 E310 E311 S316 S317	A309-R313 PolarHBondContact O-N 2.81Å; A309-R313 PolarHBondContact O-NE 3.39Å; E310-R313 WeakPolarHBondContact O-CB 3.45Å; E310-R313 PolarHBondContact O-N 3.09Å; E311-R313 VanDerWaalsContact C-N 3.28Å; E311-R313 PolarHBondContact O-N 3.38Å; R313-S316 PolarHBondContact O-N 2.87Å; R313-S317 WeakPolarHBondContact O-CB 3.41Å; R313-S317 PolarHBondContact O-N 2.8Å
314	Q	77.3	Confident	80.6	Confident	99 Å²	99	66.8 Å²	66.8	46%	0.463	37%	0.368	S	S	.	.	H	α-helix	trans	-62.6	-47	176.3	-75.1	179.1	-24.5	0	0	111.9	E310 E311 S316 S317 M318	E310-Q314 PolarHBondContact O-N 2.92Å; E311-Q314 PolarHBondContact O-N 2.86Å; Q314-S316 VanDerWaalsContact C-N 3.34Å; Q314-S316 PolarHBondContact O-N 2.97Å; Q314-S317 WeakPolarHBondContact O-CB 3.42Å; Q314-S317 PolarHBondContact O-N 3.1Å; Q314-M318 PolarHBondContact O-N 2.99Å
315	L	79.3	Confident	80.8	Confident	6 Å²	6	65.7 Å²	65.7	3%	0.031	36%	0.363	C	S	.	.	H	α-helix	trans	-64.2	-38.6	176.4	-68.2	167.6	0	0	0	111.9	F292 I307 E311 S317 M318 L319 I323 M326	F292-L315 HydrophobicContact CE2-CD1 3.92Å; F292-L315 HydrophobicContact CZ-CD1 3.68Å; I307-L315 HydrophobicContact CD1-CD1 4.07Å; E311-L315 WeakPolarHBondContact O-CB 3.22Å; E311-L315 WeakPolarHBondContact O-CG 3.26Å; E311-L315 PolarHBondContact O-N 3.08Å; L315-S317 VanDerWaalsContact C-N 3.29Å; L315-S317 PolarHBondContact O-N 3.06Å; L315-M318 HydrophobicContact CD2-CE 4.04Å; L315-M318 PolarHBondContact O-N 3Å; L315-L319 WeakPolarHBondContact O-CB 3.49Å; L315-L319 VanDerWaalsContact O-CG 3.24Å; L315-L319 WeakPolarHBondContact O-CG 3.33Å; L315-L319 PolarHBondContact O-N 3.3Å; L315-I323 HydrophobicContact CB-CD1 3.33Å; L315-I323 HydrophobicContact CD1-CD1 4.43Å; L315-M326 HydrophobicContact CD1-SD 4.06Å
316	S	82.9	Confident	81.2	Confident	26 Å²	26	60 Å²	60	18%	0.182	34%	0.337	C	S	.	.	H	α-helix	trans	-65.4	-34.7	175.5	-56.5	0	0	0	0	111.7	R312 R313 Q314 G320 C321	R312-S316 VanDerWaalsContact O-CB 3.3Å; R312-S316 WeakPolarHBondContact O-CB 3.27Å; R312-S316 PolarHBondContact O-N 2.88Å; R312-S316 PolarHBondContact O-OG 2.68Å; R313-S316 PolarHBondContact O-N 2.87Å; Q314-S316 VanDerWaalsContact C-N 3.34Å; Q314-S316 PolarHBondContact O-N 2.97Å; S316-G320 WeakPolarHBondContact O-CA 3.31Å; S316-G320 PolarHBondContact O-N 2.85Å; S316-C321 VanDerWaalsContact CA-O 3.31Å; S316-C321 WeakPolarHBondContact CA-O 3.38Å; S316-C321 WeakPolarHBondContact CB-O 3.13Å; S316-C321 PolarHBondContact O-N 3.1Å
317	S	81.9	Confident	81.7	Confident	100 Å²	100	58.1 Å²	58.1	70%	0.699	33%	0.327	S	S	*	.	H	α-helix	trans	-68	-41.2	172.9	-170	0	0	0	0	112.2	R313 Q314 L315	R313-S317 WeakPolarHBondContact O-CB 3.41Å; R313-S317 PolarHBondContact O-N 2.8Å; Q314-S317 WeakPolarHBondContact O-CB 3.42Å; Q314-S317 PolarHBondContact O-N 3.1Å; L315-S317 VanDerWaalsContact C-N 3.29Å; L315-S317 PolarHBondContact O-N 3.06Å
318	M	78.6	Confident	82.1	Confident	35 Å²	35	57.2 Å²	57.2	17%	0.172	32%	0.322	C	S	.	.	H	α-helix	trans	-65.7	-44.5	177.7	-176	-157.6	-64	0	0	111.7	I283 F285 Q314 L315 G320	I283-M318 HydrophobicContact CD1-CG 3.71Å; I283-M318 HydrophobicContact CG2-CE 4.24Å; F285-M318 HydrophobicContact CD1-CE 4.04Å; F285-M318 HydrophobicContact CE1-CE 3.4Å; F285-M318 HydrophobicContact CZ-CE 3.97Å; Q314-M318 PolarHBondContact O-N 2.99Å; L315-M318 HydrophobicContact CD2-CE 4.04Å; L315-M318 PolarHBondContact O-N 3Å; M318-G320 VanDerWaalsContact C-N 3.34Å
319	L	79.5	Confident	82.6	Confident	23 Å²	23	54.8 Å²	54.8	12%	0.12	31%	0.305	C	S	.	.	H	α-helix	trans	-80.2	-14.3	-178.6	-64.7	168.6	0	0	0	113.2	V274 L315 C321 I323 F346	V274-L319 HydrophobicContact CG1-CD2 3.56Å; L315-L319 WeakPolarHBondContact O-CB 3.49Å; L315-L319 VanDerWaalsContact O-CG 3.24Å; L315-L319 WeakPolarHBondContact O-CG 3.33Å; L315-L319 PolarHBondContact O-N 3.3Å; L319-C321 PolarHBondContact O-N 3.42Å; L319-I323 HydrophobicContact CD1-CD1 3.85Å; L319-I323 HydrophobicContact CD1-CG1 3.9Å; L319-F346 HydrophobicContact CD1-CB 4.27Å; L319-F346 HydrophobicContact CD1-CD1 3.68Å; L319-F346 HydrophobicContact CD1-CD2 3.66Å; L319-F346 HydrophobicContact CD1-CE1 3.8Å; L319-F346 HydrophobicContact CD1-CE2 3.79Å; L319-F346 HydrophobicContact CD1-CG 3.6Å; L319-F346 HydrophobicContact CD1-CZ 3.85Å; L319-F346 HydrophobicContact CD2-CD2 3.96Å; L319-F346 HydrophobicContact CD2-CE2 3.92Å; L319-F346 HydrophobicContact CG-CD2 4.48Å; L319-F346 HydrophobicContact CG-CE2 4.42Å
320	G	78.3	Confident	83.2	Confident	72 Å²	72	51.9 Å²	51.9	74%	0.742	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	18.9	-174.3	0	0	0	0	0	114.4	S316 M318	S316-G320 WeakPolarHBondContact O-CA 3.31Å; S316-G320 PolarHBondContact O-N 2.85Å; M318-G320 VanDerWaalsContact C-N 3.34Å
321	C	80.3	Confident	83.6	Confident	38 Å²	38	47.4 Å²	47.4	26%	0.257	26%	0.259	S	S	.	.	S	Bend	trans	-147.1	156.1	179.9	63.2	0	0	0	0	112.4	S316 L319	S316-C321 VanDerWaalsContact CA-O 3.31Å; S316-C321 WeakPolarHBondContact CA-O 3.38Å; S316-C321 WeakPolarHBondContact CB-O 3.13Å; S316-C321 PolarHBondContact O-N 3.1Å; L319-C321 PolarHBondContact O-N 3.42Å
322	E	83.1	Confident	84	Confident	170 Å²	170	49.8 Å²	49.8	79%	0.794	27%	0.274	S	S	*	.			trans	-72.4	130.8	175.4	-73.9	-161.3	160.8	0	0	111.7	N347	E322-N347 PolarHBondContact O-ND2 3.4Å; E322-N347 PolarHBondContact O-OD1 2.99Å
323	I	83.7	Confident	83.9	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	26%	0.261	C	S	.	.			trans	-87.9	113.4	179.7	-55.8	167.5	0	0	0	109.8	L304 R312 L315 L319 M326 F346 N347	L304-I323 HydrophobicContact CD1-CG2 3.77Å; L304-I323 HydrophobicContact CD2-CG2 4.45Å; R312-I323 VanDerWaalsContact CZ-O 3.25Å; R312-I323 PolarHBondContact NE-O 2.79Å; R312-I323 PolarHBondContact NH2-O 2.79Å; L315-I323 HydrophobicContact CB-CD1 3.33Å; L315-I323 HydrophobicContact CD1-CD1 4.43Å; L319-I323 HydrophobicContact CD1-CD1 3.85Å; L319-I323 HydrophobicContact CD1-CG1 3.9Å; I323-M326 HydrophobicContact CG2-CB 4.2Å; I323-F346 HydrophobicContact CD1-CD1 4.2Å; I323-F346 HydrophobicContact CD1-CE1 4.2Å; I323-F346 HydrophobicContact CG1-CD1 4.31Å; I323-F346 HydrophobicContact CG2-CD1 4.03Å; I323-N347 WeakPolarHBondContact CA-OD1 3.15Å
324	S	83.9	Confident	83.4	Confident	80 Å²	80	44.5 Å²	44.5	56%	0.559	26%	0.257	S	S	*	.	S	Bend	trans	-97.9	-28.4	176.6	62.8	0	0	0	0	113.6	L304 N347	L304-S324 WeakPolarHBondContact CD2-O 3.4Å; S324-N347 PolarHBondContact N-OD1 2.64Å; S324-N347 PolarHBondContact OG-OD1 3.04Å
325	S	87.8	Confident	83	Confident	9 Å²	9	44.4 Å²	44.4	6%	0.063	27%	0.273	C	S	.	.			trans	-147.5	147	173.6	66.3	0	0	0	0	110.1	F346 N347 K348	S325-F346 WeakPolarHBondContact O-CA 3.5Å; S325-N347 PolarHBondContact O-N 2.91Å; S325-N347 VanDerWaalsContact OG-CA 3.27Å; S325-N347 WeakPolarHBondContact OG-CA 3.24Å; S325-N347 PolarHBondContact OG-N 3.19Å; S325-K348 PolarHBondContact OG-N 2.89Å
326	M	89.4	Confident	82.7	Confident	6 Å²	6	48.1 Å²	48.1	3%	0.03	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	139	178.3	-175.8	-171.6	91.2	0	0	110.1	F292 I302 S303 L304 I307 L315 I323 C328 A345 F346	F292-M326 HydrophobicContact CE1-CE 4.3Å; F292-M326 HydrophobicContact CZ-CE 4.14Å; F292-M326 HydrophobicContact CZ-SD 4.26Å; I302-M326 HydrophobicContact CD1-CE 4.24Å; I302-M326 HydrophobicContact CG1-CE 4.24Å; S303-M326 WeakPolarHBondContact CA-O 3.46Å; L304-M326 HydrophobicContact CB-CB 3.97Å; L304-M326 HydrophobicContact CD1-CB 4.12Å; L304-M326 PolarHBondContact N-O 2.9Å; I307-M326 HydrophobicContact CD1-CE 4.31Å; I307-M326 HydrophobicContact CD1-SD 4.01Å; I307-M326 HydrophobicContact CG2-CE 3.64Å; L315-M326 HydrophobicContact CD1-SD 4.06Å; I323-M326 HydrophobicContact CG2-CB 4.2Å; M326-C328 HydrophobicContact CE-CB 4.04Å; M326-A345 CarbonylContact C-O 3.6Å; M326-A345 WeakPolarHBondContact CA-O 3.42Å; M326-F346 HydrophobicContact CB-CD1 4.15Å; M326-F346 HydrophobicContact CB-CE1 4.39Å; M326-F346 HydrophobicContact CG-CD1 3.77Å; M326-F346 HydrophobicContact CG-CE1 3.58Å; M326-F346 HydrophobicContact SD-CD1 4.45Å; M326-F346 HydrophobicContact SD-CE1 3.76Å
327	L	91	Very high	82.3	Confident	14 Å²	14	48.3 Å²	48.3	7%	0.073	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	124.1	164.6	177.1	65	0	0	0	108.7	V329 C344 A345 H354 D358 E359 I362	L327-V329 HydrophobicContact CD1-CG2 4.24Å; L327-V329 HydrophobicContact CD2-CG2 4.14Å; L327-V329 HydrophobicContact CG-CG2 3.9Å; L327-C344 CarbonylContact O-C 3.54Å; L327-C344 WeakPolarHBondContact O-CA 3.24Å; L327-A345 PolarHBondContact N-O 3.36Å; L327-A345 PolarHBondContact O-N 2.83Å; L327-H354 HydrophobicContact CB-CB 3.81Å; L327-H354 HydrophobicContact CD2-CB 3.93Å; L327-H354 HydrophobicContact CG-CB 4.36Å; L327-D358 HydrophobicContact CD2-CB 4.01Å; L327-E359 HydrophobicContact CD2-CB 4.19Å; L327-I362 HydrophobicContact CD2-CD1 3.75Å; L327-I362 HydrophobicContact CG-CD1 4.36Å
328	C	90.7	Very high	82.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121	175.2	173.7	0	0	0	0	108.9	F292 S301 I302 M326 A343 C344	F292-C328 HydrophobicContact CE1-CB 4.24Å; S301-C328 CarbonylContact C-O 3.59Å; S301-C328 WeakPolarHBondContact CA-O 3.38Å; S301-C328 WeakPolarHBondContact CB-O 3.39Å; I302-C328 HydrophobicContact CD1-CB 4.5Å; I302-C328 HydrophobicContact CG1-CB 3.76Å; I302-C328 PolarHBondContact N-O 3.44Å; I302-C328 PolarHBondContact O-N 2.61Å; M326-C328 HydrophobicContact CE-CB 4.04Å; C328-A343 WeakPolarHBondContact CA-O 3.43Å; C328-C344 VanDerWaalsContact SG-SG 3.66Å
329	V	91.8	Very high	82.6	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.012	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.7	-176.6	-175.8	0	0	0	0	109.4	L327 V331 A343 E359 I362 Q363	L327-V329 HydrophobicContact CD1-CG2 4.24Å; L327-V329 HydrophobicContact CD2-CG2 4.14Å; L327-V329 HydrophobicContact CG-CG2 3.9Å; V329-V331 PolarHBondContact O-N 3.2Å; V329-A343 PolarHBondContact N-O 3.1Å; V329-A343 PolarHBondContact O-N 2.98Å; V329-E359 HydrophobicContact CG1-CG 4.41Å; V329-E359 HydrophobicContact CG2-CB 4.48Å; V329-E359 HydrophobicContact CG2-CG 4.03Å; V329-I362 HydrophobicContact CB-CB 4.37Å; V329-I362 HydrophobicContact CB-CG2 3.72Å; V329-I362 HydrophobicContact CG1-CG2 4Å; V329-I362 HydrophobicContact CG2-CB 4.09Å; V329-I362 HydrophobicContact CG2-CD1 3.79Å; V329-I362 HydrophobicContact CG2-CG2 3.94Å; V329-Q363 HydrophobicContact CG1-CG 3.71Å
330	P	90.6	Very high	82.9	Confident	14 Å²	14	48.3 Å²	48.3	9%	0.091	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	127.3	175.3	23.9	-28.1	0	0	0	111.3	V295 V332 V339 L342	V295-P330 HydrophobicContact CG1-CB 3.95Å; V295-P330 HydrophobicContact CG1-CG 4.04Å; P330-V332 PolarHBondContact O-N 2.99Å; P330-V339 HydrophobicContact CB-CG1 3.92Å; P330-V339 HydrophobicContact CB-CG2 4Å; P330-L342 HydrophobicContact CB-CD2 4.17Å
331	V	88.8	Confident	83.3	Confident	6 Å²	6	45.1 Å²	45.1	4%	0.036	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	103.7	171.7	-178.5	0	0	0	0	108.4	V329 V339 V340 A341 A343 F366	V329-V331 PolarHBondContact O-N 3.2Å; V331-V339 CarbonylContact O-C 3.51Å; V331-V339 WeakPolarHBondContact O-CA 3.44Å; V331-V340 HydrophobicContact CB-CG2 4.44Å; V331-V340 HydrophobicContact CG1-CG2 3.94Å; V331-V340 WeakPolarHBondContact O-CG2 3.44Å; V331-V340 PolarHBondContact O-N 3.01Å; V331-A341 WeakPolarHBondContact CA-O 3.45Å; V331-A341 HydrophobicContact CB-CB 4.04Å; V331-A341 VanDerWaalsContact CB-O 3.31Å; V331-A341 WeakPolarHBondContact CB-O 3.38Å; V331-A341 HydrophobicContact CG2-CB 4.18Å; V331-A341 PolarHBondContact N-O 3.39Å; V331-A343 HydrophobicContact CG2-CB 4.03Å; V331-F366 HydrophobicContact CB-CG 4.35Å; V331-F366 HydrophobicContact CG1-CB 3.78Å; V331-F366 HydrophobicContact CG1-CD1 3.86Å; V331-F366 HydrophobicContact CG1-CG 3.84Å; V331-F366 HydrophobicContact CG2-CB 4.15Å; V331-F366 HydrophobicContact CG2-CD1 3.88Å; V331-F366 HydrophobicContact CG2-CD2 3.56Å; V331-F366 HydrophobicContact CG2-CE1 4.2Å; V331-F366 HydrophobicContact CG2-CE2 3.92Å; V331-F366 HydrophobicContact CG2-CG 3.56Å; V331-F366 HydrophobicContact CG2-CZ 4.23Å
332	V	83.9	Confident	83.8	Confident	57 Å²	57	43.3 Å²	43.3	35%	0.345	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	123.7	178.2	-174.8	0	0	0	0	109.3	K299 P330 R334 H338 V339	K299-V332 HydrophobicContact CB-CG2 4.47Å; K299-V332 HydrophobicContact CD-CG2 4.24Å; K299-V332 HydrophobicContact CG-CG2 4.39Å; P330-V332 PolarHBondContact O-N 2.99Å; V332-R334 PolarHBondContact O-N 3.34Å; V332-H338 WeakPolarHBondContact CA-O 3.47Å; V332-V339 HydrophobicContact CG2-CG2 4.17Å
333	S	78.5	Confident	84.2	Confident	17 Å²	17	35.3 Å²	35.3	12%	0.119	21%	0.21	C	C	.	.			trans	-64.8	128.1	172.4	170.6	0	0	0	0	110.1	A335 T336 G337 H338	S333-A335 PolarHBondContact O-N 3.47Å; S333-A335 PolarHBondContact OG-N 2.97Å; S333-T336 VanDerWaalsContact CB-OG1 3.32Å; S333-T336 WeakPolarHBondContact CB-OG1 3.44Å; S333-T336 PolarHBondContact OG-N 3.02Å; S333-T336 PolarHBondContact OG-OG1 3.27Å; S333-G337 WeakPolarHBondContact O-CA 3.43Å; S333-G337 PolarHBondContact O-N 2.79Å; S333-H338 PolarHBondContact N-O 2.85Å
334	R	71.3	Confident	84.6	Confident	160 Å²	160	35.3 Å²	35.3	60%	0.604	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-27.4	175.1	-68.5	-174.1	173.7	-156.6	-0.8	112.7	V332 C367	V332-R334 PolarHBondContact O-N 3.34Å; R334-C367 PolarHBondContact NE-O 3.09Å; R334-C367 PolarHBondContact NH2-SG 2.84Å
335	A	67.4	Low	85	Confident	96 Å²	96	31.6 Å²	31.6	79%	0.793	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-44.7	-177.7	0	0	0	0	0	112.2	S333	S333-A335 PolarHBondContact O-N 3.47Å; S333-A335 PolarHBondContact OG-N 2.97Å
336	T	72.8	Confident	85.1	Confident	85 Å²	85	31.1 Å²	31.1	52%	0.521	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-18.1	-174.3	67.5	0	0	0	0	112.8	S333 H338	S333-T336 VanDerWaalsContact CB-OG1 3.32Å; S333-T336 WeakPolarHBondContact CB-OG1 3.44Å; S333-T336 PolarHBondContact OG-N 3.02Å; S333-T336 PolarHBondContact OG-OG1 3.27Å; T336-H338 PolarHBondContact O-CD2 3.04Å; T336-H338 PolarHBondContact O-N 3.46Å; T336-H338 PolarHBondContact OG1-N 3.06Å
337	G	74.9	Confident	85.1	Confident	30 Å²	30	31.3 Å²	31.3	31%	0.309	18%	0.182	S	C	.	.			trans	69.9	5.3	-173.2	0	0	0	0	0	113.9	K299 S333	K299-G337 VanDerWaalsContact CE-O 3.29Å; K299-G337 WeakPolarHBondContact CE-O 3.37Å; K299-G337 PolarHBondContact NZ-O 3.38Å; S333-G337 WeakPolarHBondContact O-CA 3.43Å; S333-G337 PolarHBondContact O-N 2.79Å
338	H	82.1	Confident	84.9	Confident	118 Å²	118	32 Å²	32	55%	0.546	18%	0.184	S	C	.	.	S	Bend	trans	-95.9	157	177.9	-68.4	-83.5	0	0	0	111.8	V332 S333 T336 V340	V332-H338 WeakPolarHBondContact CA-O 3.47Å; S333-H338 PolarHBondContact N-O 2.85Å; T336-H338 PolarHBondContact O-CD2 3.04Å; T336-H338 PolarHBondContact O-N 3.46Å; T336-H338 PolarHBondContact OG1-N 3.06Å; H338-V340 PolarHBondContact O-N 3.26Å
339	V	85.6	Confident	84.5	Confident	6 Å²	6	38.1 Å²	38.1	4%	0.036	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	117	173.9	-178.8	0	0	0	0	108.3	V262 V296 K299 P330 V331 V332 A341 L342	V262-V339 HydrophobicContact CG2-CG1 4.28Å; V296-V339 HydrophobicContact CG1-CB 4.25Å; V296-V339 HydrophobicContact CG2-CG1 4.33Å; V296-V339 WeakPolarHBondContact O-CG2 3.32Å; K299-V339 HydrophobicContact CG-CG2 3.81Å; P330-V339 HydrophobicContact CB-CG1 3.92Å; P330-V339 HydrophobicContact CB-CG2 4Å; V331-V339 CarbonylContact O-C 3.51Å; V331-V339 WeakPolarHBondContact O-CA 3.44Å; V332-V339 HydrophobicContact CG2-CG2 4.17Å; V339-A341 WeakPolarHBondContact CG1-O 3.22Å; V339-L342 HydrophobicContact CG1-CD2 3.75Å
340	V	84.3	Confident	83.8	Confident	33 Å²	33	41.7 Å²	41.7	20%	0.2	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-23.5	-178.1	-71.1	0	0	0	0	112.7	V262 V331 H338 T374	V262-V340 PolarHBondContact N-O 2.91Å; V331-V340 HydrophobicContact CB-CG2 4.44Å; V331-V340 HydrophobicContact CG1-CG2 3.94Å; V331-V340 WeakPolarHBondContact O-CG2 3.44Å; V331-V340 PolarHBondContact O-N 3.01Å; H338-V340 PolarHBondContact O-N 3.26Å; V340-T374 HydrophobicContact CG1-CG2 4.45Å
341	A	88.5	Confident	82.6	Confident	6 Å²	6	44.4 Å²	44.4	5%	0.05	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	163.2	175.6	0	0	0	0	0	111	L259 L260 L261 V331 V339	L259-A341 HydrophobicContact CD2-CB 4.45Å; L260-A341 CarbonylContact O-C 3.6Å; L260-A341 WeakPolarHBondContact O-CA 3.5Å; L261-A341 HydrophobicContact CD2-CB 4.02Å; V331-A341 WeakPolarHBondContact CA-O 3.45Å; V331-A341 HydrophobicContact CB-CB 4.04Å; V331-A341 VanDerWaalsContact CB-O 3.31Å; V331-A341 WeakPolarHBondContact CB-O 3.38Å; V331-A341 HydrophobicContact CG2-CB 4.18Å; V331-A341 PolarHBondContact N-O 3.39Å; V339-A341 WeakPolarHBondContact CG1-O 3.22Å
342	L	90.1	Very high	81.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	118.9	167.7	-51.5	178.1	0	0	0	108.2	L260 L269 F292 V295 V296 P330 V339	L260-L342 HydrophobicContact CB-CB 4.13Å; L260-L342 HydrophobicContact CD1-CB 4.49Å; L260-L342 PolarHBondContact N-O 3.49Å; L260-L342 PolarHBondContact O-N 3.35Å; L269-L342 HydrophobicContact CD1-CD1 3.91Å; L269-L342 HydrophobicContact CD2-CD1 4.07Å; L269-L342 HydrophobicContact CD2-CG 4.41Å; F292-L342 HydrophobicContact CB-CD1 4.25Å; F292-L342 HydrophobicContact CD1-CD1 3.92Å; V295-L342 HydrophobicContact CB-CD2 4.26Å; V295-L342 HydrophobicContact CG1-CD2 3.58Å; V296-L342 HydrophobicContact CG2-CD1 4.32Å; V296-L342 HydrophobicContact CG2-CD2 4.08Å; V296-L342 HydrophobicContact CG2-CG 4.49Å; P330-L342 HydrophobicContact CB-CD2 4.17Å; V339-L342 HydrophobicContact CG1-CD2 3.75Å
343	A	92.3	Very high	81.7	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.008	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	113.9	177.4	0	0	0	0	0	109.7	L259 C328 V329 V331 I362 F366	L259-A343 HydrophobicContact CD2-CB 3.97Å; C328-A343 WeakPolarHBondContact CA-O 3.43Å; V329-A343 PolarHBondContact N-O 3.1Å; V329-A343 PolarHBondContact O-N 2.98Å; V331-A343 HydrophobicContact CG2-CB 4.03Å; A343-I362 HydrophobicContact CB-CG2 3.62Å; A343-F366 HydrophobicContact CB-CD2 4.07Å; A343-F366 HydrophobicContact CB-CE2 3.35Å; A343-F366 HydrophobicContact CB-CZ 4.01Å
344	C	91.2	Very high	82	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.014	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.5	-174.6	-64.6	0	0	0	0	110.7	C257 C258 L327 C328 F346	C257-C344 CarbonylContact C-O 3.58Å; C257-C344 WeakPolarHBondContact CA-O 3.41Å; C258-C344 PolarHBondContact N-O 2.74Å; C258-C344 PolarHBondContact O-N 3.45Å; L327-C344 CarbonylContact O-C 3.54Å; L327-C344 WeakPolarHBondContact O-CA 3.24Å; C328-C344 VanDerWaalsContact SG-SG 3.66Å; C344-F346 HydrophobicContact CB-CD2 4.44Å; C344-F346 HydrophobicContact CB-CE1 4.4Å; C344-F346 HydrophobicContact CB-CE2 3.47Å; C344-F346 VanDerWaalsContact CB-CE2 3.47Å; C344-F346 HydrophobicContact CB-CZ 3.46Å; C344-F346 VanDerWaalsContact CB-CZ 3.46Å
345	A	91.8	Very high	82.6	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.008	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.8	174.1	0	0	0	0	0	110.2	M326 L327 H354 I362	M326-A345 CarbonylContact C-O 3.6Å; M326-A345 WeakPolarHBondContact CA-O 3.42Å; L327-A345 PolarHBondContact N-O 3.36Å; L327-A345 PolarHBondContact O-N 2.83Å; A345-H354 PolarHBondContact O-CE1 3.25Å; A345-I362 HydrophobicContact CB-CD1 4.32Å
346	F	90.5	Very high	83.2	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	147.2	-172.1	-55.8	-81.6	0	0	0	111.9	S254 Q255 C256 L319 I323 S325 M326 C344	S254-F346 WeakPolarHBondContact CB-O 3.37Å; Q255-F346 PolarHBondContact N-O 3.19Å; Q255-F346 VanDerWaalsContact N-O 3.16Å; C256-F346 HydrophobicContact CB-CB 4.49Å; C256-F346 PolarHBondContact N-O 2.9Å; C256-F346 PolarHBondContact O-N 2.96Å; L319-F346 HydrophobicContact CD1-CB 4.27Å; L319-F346 HydrophobicContact CD1-CD1 3.68Å; L319-F346 HydrophobicContact CD1-CD2 3.66Å; L319-F346 HydrophobicContact CD1-CE1 3.8Å; L319-F346 HydrophobicContact CD1-CE2 3.79Å; L319-F346 HydrophobicContact CD1-CG 3.6Å; L319-F346 HydrophobicContact CD1-CZ 3.85Å; L319-F346 HydrophobicContact CD2-CD2 3.96Å; L319-F346 HydrophobicContact CD2-CE2 3.92Å; L319-F346 HydrophobicContact CG-CD2 4.48Å; L319-F346 HydrophobicContact CG-CE2 4.42Å; I323-F346 HydrophobicContact CD1-CD1 4.2Å; I323-F346 HydrophobicContact CD1-CE1 4.2Å; I323-F346 HydrophobicContact CG1-CD1 4.31Å; I323-F346 HydrophobicContact CG2-CD1 4.03Å; S325-F346 WeakPolarHBondContact O-CA 3.5Å; M326-F346 HydrophobicContact CB-CD1 4.15Å; M326-F346 HydrophobicContact CB-CE1 4.39Å; M326-F346 HydrophobicContact CG-CD1 3.77Å; M326-F346 HydrophobicContact CG-CE1 3.58Å; M326-F346 HydrophobicContact SD-CD1 4.45Å; M326-F346 HydrophobicContact SD-CE1 3.76Å; C344-F346 HydrophobicContact CB-CD2 4.44Å; C344-F346 HydrophobicContact CB-CE1 4.4Å; C344-F346 HydrophobicContact CB-CE2 3.47Å; C344-F346 VanDerWaalsContact CB-CE2 3.47Å; C344-F346 HydrophobicContact CB-CZ 3.46Å; C344-F346 VanDerWaalsContact CB-CZ 3.46Å
347	N	88.9	Confident	83.6	Confident	10 Å²	10	54.6 Å²	54.6	5%	0.053	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	50.1	78.5	172.3	-67.6	-12.1	0	0	0	113.4	Q255 E322 I323 S324 S325 Q349	Q255-N347 HydrophobicContact CB-CB 3.77Å; Q255-N347 VanDerWaalsContact CB-O 3.31Å; Q255-N347 WeakPolarHBondContact CB-O 3.43Å; Q255-N347 PolarHBondContact N-O 3.49Å; Q255-N347 VanDerWaalsContact OE1-CB 3.25Å; Q255-N347 PolarHBondContact OE1-ND2 3.29Å; E322-N347 PolarHBondContact O-ND2 3.4Å; E322-N347 PolarHBondContact O-OD1 2.99Å; I323-N347 WeakPolarHBondContact CA-OD1 3.15Å; S324-N347 PolarHBondContact N-OD1 2.64Å; S324-N347 PolarHBondContact OG-OD1 3.04Å; S325-N347 PolarHBondContact O-N 2.91Å; S325-N347 VanDerWaalsContact OG-CA 3.27Å; S325-N347 WeakPolarHBondContact OG-CA 3.24Å; S325-N347 PolarHBondContact OG-N 3.19Å; N347-Q349 PolarHBondContact O-N 3.48Å
348	K	87.5	Confident	84.1	Confident	28 Å²	28	54 Å²	54	12%	0.122	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	133.3	177.5	-168.9	169.2	-176.9	171.5	0	110.3	S325 G350 G351 Q352 D358	S325-K348 PolarHBondContact OG-N 2.89Å; K348-G350 PolarHBondContact O-N 3.04Å; K348-G351 PolarHBondContact O-N 3.26Å; K348-G351 VanDerWaalsContact O-N 3.15Å; K348-Q352 WeakPolarHBondContact CB-O 3.34Å; K348-D358 IonicContact NZ-OD1 3.55Å; K348-D358 PolarHBondContact NZ-OD1 2.97Å; K348-D358 IonicContact NZ-OD2 3.11Å; K348-D358 PolarHBondContact NZ-OD2 3.05Å
349	Q	83.1	Confident	84.2	Confident	129 Å²	129	50.4 Å²	50.4	60%	0.603	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	133.4	179.8	-68	178.2	8.3	0	0	110.3	K253 N347	K253-Q349 HydrophobicContact CB-CB 4.47Å; K253-Q349 WeakPolarHBondContact O-CB 3.44Å; K253-Q349 VanDerWaalsContact O-CG 3.32Å; K253-Q349 WeakPolarHBondContact O-CG 3.42Å; K253-Q349 PolarHBondContact O-N 2.88Å; N347-Q349 PolarHBondContact O-N 3.48Å
350	G	75	Confident	84.1	Confident	77 Å²	77	55.2 Å²	55.2	79%	0.794	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	6.3	-175.2	0	0	0	0	0	115.4	K348 Q352	K348-G350 PolarHBondContact O-N 3.04Å; G350-Q352 VanDerWaalsContact C-N 3.3Å; G350-Q352 PolarHBondContact O-N 3.29Å
351	G	66	Low	84.2	Confident	71 Å²	71	54.7 Å²	54.7	73%	0.732	31%	0.311	S	S	*	.	S	Bend	trans	73.7	16.2	171.9	0	0	0	0	0	115	K348	K348-G351 PolarHBondContact O-N 3.26Å; K348-G351 VanDerWaalsContact O-N 3.15Å
352	Q	73.9	Confident	84.1	Confident	130 Å²	130	54.5 Å²	54.5	61%	0.607	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-87	164.2	179.6	-64.3	-176.3	-9.1	0	0	111.7	K348 G350	K348-Q352 WeakPolarHBondContact CB-O 3.34Å; G350-Q352 VanDerWaalsContact C-N 3.3Å; G350-Q352 PolarHBondContact O-N 3.29Å
353	R	80.6	Confident	83.8	Confident	181 Å²	181	58.6 Å²	58.6	68%	0.683	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-79.9	150.7	169.2	-66.9	-177.6	176.9	177.2	-4.1	110.3
354	H	84.1	Confident	83.3	Confident	30 Å²	30	59.9 Å²	59.9	14%	0.139	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-63.1	135.5	168.6	-62.1	89.2	0	0	0	110.2	S254 L327 A345 D358	S254-H354 PolarHBondContact OG-NE2 3.02Å; L327-H354 HydrophobicContact CB-CB 3.81Å; L327-H354 HydrophobicContact CD2-CB 3.93Å; L327-H354 HydrophobicContact CG-CB 4.36Å; A345-H354 PolarHBondContact O-CE1 3.25Å; H354-D358 WeakPolarHBondContact CA-OD2 3.29Å; H354-D358 HydrophobicContact CB-CB 4.34Å; H354-D358 IonicContact CD2-OD2 2.85Å
355	A	83.4	Confident	83.1	Confident	52 Å²	52	59.9 Å²	59.9	43%	0.43	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-95.9	166.3	-179.6	0	0	0	0	0	110.6	A357 D358 E359	A355-A357 PolarHBondContact O-N 3.38Å; A355-A357 VanDerWaalsContact O-N 3.15Å; A355-D358 PolarHBondContact N-OD2 3.27Å; A355-D358 WeakPolarHBondContact O-CB 3.3Å; A355-D358 PolarHBondContact O-N 2.92Å; A355-E359 PolarHBondContact O-N 3.26Å
356	E	80.1	Confident	82.8	Confident	174 Å²	174	60.4 Å²	60.4	81%	0.813	34%	0.336	S	S	*	.	H	α-helix	trans	-57.4	-29.1	174.9	-67.1	-178.7	173.8	0	0	112.5	D358 E359 H360	E356-D358 VanDerWaalsContact C-N 3.32Å; E356-D358 PolarHBondContact O-N 3.06Å; E356-E359 PolarHBondContact O-N 3.22Å; E356-H360 PolarHBondContact O-N 2.85Å
357	A	80.8	Confident	82.2	Confident	68 Å²	68	62.2 Å²	62.2	56%	0.562	35%	0.348	S	S	*	.	H	α-helix	trans	-63.1	-34.5	172.9	0	0	0	0	0	113	A355 H360 V361	A355-A357 PolarHBondContact O-N 3.38Å; A355-A357 VanDerWaalsContact O-N 3.15Å; A357-H360 PolarHBondContact O-N 3.41Å; A357-V361 WeakPolarHBondContact O-CG2 3.19Å; A357-V361 PolarHBondContact O-N 2.73Å
358	D	85.5	Confident	81.6	Confident	16 Å²	16	64.2 Å²	64.2	9%	0.086	36%	0.355	C	S	.	.	H	α-helix	trans	-70.7	-36.8	177.5	-57.4	-48.2	0	0	0	110.8	T252 L327 K348 H354 A355 E356 V361 I362	T252-D358 HydrophobicContact CG2-CB 4.37Å; L327-D358 HydrophobicContact CD2-CB 4.01Å; K348-D358 IonicContact NZ-OD1 3.55Å; K348-D358 PolarHBondContact NZ-OD1 2.97Å; K348-D358 IonicContact NZ-OD2 3.11Å; K348-D358 PolarHBondContact NZ-OD2 3.05Å; H354-D358 WeakPolarHBondContact CA-OD2 3.29Å; H354-D358 HydrophobicContact CB-CB 4.34Å; H354-D358 IonicContact CD2-OD2 2.85Å; A355-D358 PolarHBondContact N-OD2 3.27Å; A355-D358 WeakPolarHBondContact O-CB 3.3Å; A355-D358 PolarHBondContact O-N 2.92Å; E356-D358 VanDerWaalsContact C-N 3.32Å; E356-D358 PolarHBondContact O-N 3.06Å; D358-V361 PolarHBondContact O-N 2.7Å; D358-I362 WeakPolarHBondContact O-CG1 3.38Å; D358-I362 PolarHBondContact O-N 3.14Å; D358-I362 VanDerWaalsContact O-N 3.12Å
359	E	86.1	Confident	81.3	Confident	43 Å²	43	62.9 Å²	62.9	20%	0.201	35%	0.35	C	S	.	.	H	α-helix	trans	-62.5	-45	172.6	177.6	172.3	174.8	0	0	111	S301 L327 V329 A355 E356 V361 I362 Q363	S301-E359 VanDerWaalsContact CB-CD 3.45Å; S301-E359 VanDerWaalsContact CB-OE1 3.24Å; S301-E359 WeakPolarHBondContact CB-OE1 3.45Å; S301-E359 WeakPolarHBondContact CB-OE2 3.48Å; S301-E359 PolarHBondContact OG-OE1 3.31Å; S301-E359 PolarHBondContact OG-OE2 2.97Å; L327-E359 HydrophobicContact CD2-CB 4.19Å; V329-E359 HydrophobicContact CG1-CG 4.41Å; V329-E359 HydrophobicContact CG2-CB 4.48Å; V329-E359 HydrophobicContact CG2-CG 4.03Å; A355-E359 PolarHBondContact O-N 3.26Å; E356-E359 PolarHBondContact O-N 3.22Å; E359-V361 VanDerWaalsContact C-N 3.32Å; E359-V361 PolarHBondContact O-N 2.7Å; E359-I362 PolarHBondContact O-N 3.12Å; E359-Q363 HydrophobicContact CG-CG 4.37Å; E359-Q363 WeakPolarHBondContact O-CG 3.37Å; E359-Q363 PolarHBondContact O-N 2.79Å; E359-Q363 PolarHBondContact OE1-NE2 3.29Å
360	H	83.3	Confident	81.2	Confident	108 Å²	108	56.9 Å²	56.9	50%	0.5	32%	0.322	S	S	.	.	H	α-helix	trans	-59.9	-41.4	176.1	-176.4	-86.9	0	0	0	112	E356 A357 I362 Q363 H364	E356-H360 PolarHBondContact O-N 2.85Å; A357-H360 PolarHBondContact O-N 3.41Å; H360-I362 PolarHBondContact O-N 3.45Å; H360-Q363 PolarHBondContact O-N 3.44Å; H360-H364 WeakPolarHBondContact O-CB 3.37Å; H360-H364 PolarHBondContact O-N 3.23Å
361	V	84.8	Confident	81.3	Confident	21 Å²	21	55.1 Å²	55.1	13%	0.127	30%	0.296	C	S	.	.	H	α-helix	trans	-60.5	-43.8	176.1	167.1	0	0	0	0	111.6	L221 Q251 T252 A357 D358 E359 H364 C365	L221-V361 HydrophobicContact CD1-CG1 4.37Å; L221-V361 HydrophobicContact CD1-CG2 4.06Å; L221-V361 HydrophobicContact CD2-CG2 4.37Å; Q251-V361 HydrophobicContact CB-CG1 3.66Å; T252-V361 HydrophobicContact CG2-CG1 4.37Å; A357-V361 WeakPolarHBondContact O-CG2 3.19Å; A357-V361 PolarHBondContact O-N 2.73Å; D358-V361 PolarHBondContact O-N 2.7Å; E359-V361 VanDerWaalsContact C-N 3.32Å; E359-V361 PolarHBondContact O-N 2.7Å; V361-H364 PolarHBondContact O-N 3.5Å; V361-C365 WeakPolarHBondContact O-CB 3.47Å; V361-C365 PolarHBondContact O-N 3.24Å
362	I	87.5	Confident	81.9	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.015	27%	0.267	C	S	.	.	H	α-helix	trans	-66	-47	178.2	-65.6	166.7	0	0	0	110.5	L248 T252 L327 V329 A343 A345 D358 E359 H360 H364 C365 F366	L248-I362 HydrophobicContact CD2-CB 4.5Å; L248-I362 HydrophobicContact CD2-CG1 4.06Å; T252-I362 HydrophobicContact CG2-CD1 4.2Å; T252-I362 HydrophobicContact CG2-CG1 3.98Å; L327-I362 HydrophobicContact CD2-CD1 3.75Å; L327-I362 HydrophobicContact CG-CD1 4.36Å; V329-I362 HydrophobicContact CB-CB 4.37Å; V329-I362 HydrophobicContact CB-CG2 3.72Å; V329-I362 HydrophobicContact CG1-CG2 4Å; V329-I362 HydrophobicContact CG2-CB 4.09Å; V329-I362 HydrophobicContact CG2-CD1 3.79Å; V329-I362 HydrophobicContact CG2-CG2 3.94Å; A343-I362 HydrophobicContact CB-CG2 3.62Å; A345-I362 HydrophobicContact CB-CD1 4.32Å; D358-I362 WeakPolarHBondContact O-CG1 3.38Å; D358-I362 PolarHBondContact O-N 3.14Å; D358-I362 VanDerWaalsContact O-N 3.12Å; E359-I362 PolarHBondContact O-N 3.12Å; H360-I362 PolarHBondContact O-N 3.45Å; I362-H364 VanDerWaalsContact C-N 3.33Å; I362-H364 PolarHBondContact O-N 3.35Å; I362-C365 WeakPolarHBondContact O-CB 3.42Å; I362-C365 PolarHBondContact O-N 3.29Å; I362-F366 HydrophobicContact CG2-CD2 3.86Å; I362-F366 HydrophobicContact CG2-CE2 3.93Å; I362-F366 VanDerWaalsContact O-CD2 3.29Å; I362-F366 WeakPolarHBondContact O-CD2 3.35Å; I362-F366 PolarHBondContact O-N 3.15Å; I362-F366 VanDerWaalsContact O-N 3.1Å
363	Q	84	Confident	82.2	Confident	86 Å²	86	46.9 Å²	46.9	40%	0.402	24%	0.24	S	C	.	.	H	α-helix	trans	-60	-44.3	176.9	-71.1	176.3	-6.2	0	0	111.4	V329 E359 H360 C365 F366 C367	V329-Q363 HydrophobicContact CG1-CG 3.71Å; E359-Q363 HydrophobicContact CG-CG 4.37Å; E359-Q363 WeakPolarHBondContact O-CG 3.37Å; E359-Q363 PolarHBondContact O-N 2.79Å; E359-Q363 PolarHBondContact OE1-NE2 3.29Å; H360-Q363 PolarHBondContact O-N 3.44Å; Q363-C365 VanDerWaalsContact C-N 3.35Å; Q363-C365 PolarHBondContact O-N 2.94Å; Q363-F366 PolarHBondContact O-N 3.33Å; Q363-C367 PolarHBondContact O-N 2.64Å; Q363-C367 PolarHBondContact O-SG 3.19Å
364	H	82	Confident	82.1	Confident	28 Å²	28	40.5 Å²	40.5	13%	0.13	22%	0.221	C	C	.	.	H	α-helix	trans	-63.2	-39.7	177.6	-171.6	-107.7	0	0	0	112	D222 H360 V361 I362 C367 Y368	D222-H364 IonicContact OD1-CE1 2.67Å; D222-H364 PolarHBondContact OD1-CE1 3.22Å; D222-H364 IonicContact OD1-NE2 4Å; D222-H364 PolarHBondContact OD1-NE2 2.85Å; H360-H364 WeakPolarHBondContact O-CB 3.37Å; H360-H364 PolarHBondContact O-N 3.23Å; V361-H364 PolarHBondContact O-N 3.5Å; I362-H364 VanDerWaalsContact C-N 3.33Å; I362-H364 PolarHBondContact O-N 3.35Å; H364-C367 WeakPolarHBondContact O-CB 3.45Å; H364-C367 PolarHBondContact O-N 2.9Å; H364-Y368 AromaticContact CD2-CE2 3.96Å; H364-Y368 AromaticContact CE1-CE2 3.84Å; H364-Y368 AromaticContact NE2-CE2 3.53Å; H364-Y368 VanDerWaalsContact O-CD2 3.26Å; H364-Y368 WeakPolarHBondContact O-CD2 3.41Å
365	C	85.9	Confident	81.8	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.007	22%	0.222	C	C	.	.	H	α-helix	trans	-59.9	-54.1	175.2	176.8	0	0	0	0	111.4	I225 Y247 L248 V361 I362 Q363 C367 Y368 T369	I225-C365 HydrophobicContact CD1-CB 4.11Å; Y247-C365 HydrophobicContact CE1-CB 4.2Å; L248-C365 HydrophobicContact CD2-CB 3.78Å; V361-C365 WeakPolarHBondContact O-CB 3.47Å; V361-C365 PolarHBondContact O-N 3.24Å; I362-C365 WeakPolarHBondContact O-CB 3.42Å; I362-C365 PolarHBondContact O-N 3.29Å; Q363-C365 VanDerWaalsContact C-N 3.35Å; Q363-C365 PolarHBondContact O-N 2.94Å; C365-C367 PolarHBondContact O-N 3.04Å; C365-Y368 PolarHBondContact O-N 3.2Å; C365-T369 WeakPolarHBondContact O-CG2 3.17Å; C365-T369 PolarHBondContact O-N 3.32Å; C365-T369 PolarHBondContact O-OG1 3.16Å
366	F	85.9	Confident	81.6	Confident	13 Å²	13	37.8 Å²	37.8	6%	0.057	20%	0.202	C	C	.	.	H	α-helix	trans	-73.3	-14.6	-177.9	-73	-70.1	0	0	0	114.2	V244 L248 L259 V331 A343 I362 Q363 Y368 S370	V244-F366 HydrophobicContact CG1-CE1 3.87Å; V244-F366 HydrophobicContact CG1-CZ 3.74Å; L248-F366 HydrophobicContact CD1-CE2 3.63Å; L248-F366 HydrophobicContact CD1-CZ 3.84Å; L259-F366 HydrophobicContact CD1-CE1 4.22Å; L259-F366 HydrophobicContact CD1-CZ 4.09Å; L259-F366 HydrophobicContact CD2-CE1 3.88Å; L259-F366 HydrophobicContact CD2-CE2 4.17Å; L259-F366 HydrophobicContact CD2-CZ 3.35Å; L259-F366 HydrophobicContact CG-CZ 4.18Å; V331-F366 HydrophobicContact CB-CG 4.35Å; V331-F366 HydrophobicContact CG1-CB 3.78Å; V331-F366 HydrophobicContact CG1-CD1 3.86Å; V331-F366 HydrophobicContact CG1-CG 3.84Å; V331-F366 HydrophobicContact CG2-CB 4.15Å; V331-F366 HydrophobicContact CG2-CD1 3.88Å; V331-F366 HydrophobicContact CG2-CD2 3.56Å; V331-F366 HydrophobicContact CG2-CE1 4.2Å; V331-F366 HydrophobicContact CG2-CE2 3.92Å; V331-F366 HydrophobicContact CG2-CG 3.56Å; V331-F366 HydrophobicContact CG2-CZ 4.23Å; A343-F366 HydrophobicContact CB-CD2 4.07Å; A343-F366 HydrophobicContact CB-CE2 3.35Å; A343-F366 HydrophobicContact CB-CZ 4.01Å; I362-F366 HydrophobicContact CG2-CD2 3.86Å; I362-F366 HydrophobicContact CG2-CE2 3.93Å; I362-F366 VanDerWaalsContact O-CD2 3.29Å; I362-F366 WeakPolarHBondContact O-CD2 3.35Å; I362-F366 PolarHBondContact O-N 3.15Å; I362-F366 VanDerWaalsContact O-N 3.1Å; Q363-F366 PolarHBondContact O-N 3.33Å; F366-Y368 PolarHBondContact O-N 3.13Å; F366-S370 WeakPolarHBondContact O-CB 3.44Å; F366-S370 PolarHBondContact O-N 3.32Å; F366-S370 PolarHBondContact O-OG 2.82Å
367	C	78.4	Confident	81.6	Confident	37 Å²	37	30.5 Å²	30.5	25%	0.25	17%	0.169	C	C	.	.	H	α-helix	trans	-55.2	-31.2	168.3	-82.8	0	0	0	0	112.5	R334 Q363 H364 C365	R334-C367 PolarHBondContact NE-O 3.09Å; R334-C367 PolarHBondContact NH2-SG 2.84Å; Q363-C367 PolarHBondContact O-N 2.64Å; Q363-C367 PolarHBondContact O-SG 3.19Å; H364-C367 WeakPolarHBondContact O-CB 3.45Å; H364-C367 PolarHBondContact O-N 2.9Å; C365-C367 PolarHBondContact O-N 3.04Å
368	Y	76	Confident	81.3	Confident	52 Å²	52	29.4 Å²	29.4	20%	0.204	16%	0.159	C	C	.	.	H	α-helix	trans	-111.9	-37.8	-178.3	-55	-74.1	0	0	0	112.9	L46 I225 H364 C365 F366	L46-Y368 HydrophobicContact CD1-CD1 4.29Å; I225-Y368 HydrophobicContact CG1-CD2 3.95Å; I225-Y368 HydrophobicContact CG2-CD2 4.42Å; H364-Y368 AromaticContact CD2-CE2 3.96Å; H364-Y368 AromaticContact CE1-CE2 3.84Å; H364-Y368 AromaticContact NE2-CE2 3.53Å; H364-Y368 VanDerWaalsContact O-CD2 3.26Å; H364-Y368 WeakPolarHBondContact O-CD2 3.41Å; C365-Y368 PolarHBondContact O-N 3.2Å; F366-Y368 PolarHBondContact O-N 3.13Å
369	T	81.6	Confident	80.9	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-85.6	-17.4	-173.6	62.4	0	0	0	0	114	I225 L228 L232 V244 C365 T371 V372 L373	I225-T369 HydrophobicContact CD1-CG2 4.29Å; L228-T369 HydrophobicContact CD2-CG2 3.83Å; L228-T369 HydrophobicContact CG-CG2 4.42Å; L232-T369 HydrophobicContact CD1-CG2 3.5Å; L232-T369 VanDerWaalsContact CD1-CG2 3.5Å; V244-T369 HydrophobicContact CG2-CG2 4.39Å; C365-T369 WeakPolarHBondContact O-CG2 3.17Å; C365-T369 PolarHBondContact O-N 3.32Å; C365-T369 PolarHBondContact O-OG1 3.16Å; T369-T371 PolarHBondContact O-N 3.38Å; T369-V372 VanDerWaalsContact O-CG1 3.24Å; T369-V372 WeakPolarHBondContact O-CG1 3.4Å; T369-L373 WeakPolarHBondContact O-CB 3.41Å; T369-L373 PolarHBondContact O-N 3.42Å
370	S	80.4	Confident	80.5	Confident	3 Å²	3	30.8 Å²	30.8	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-62.4	-44.7	-177.7	59.4	0	0	0	0	112.5	F366 V372 L373 T374	F366-S370 WeakPolarHBondContact O-CB 3.44Å; F366-S370 PolarHBondContact O-N 3.32Å; F366-S370 PolarHBondContact O-OG 2.82Å; S370-V372 PolarHBondContact O-N 2.64Å; S370-L373 PolarHBondContact O-N 3.18Å; S370-T374 WeakPolarHBondContact O-CB 3.03Å; S370-T374 PolarHBondContact O-N 3.35Å; S370-T374 PolarHBondContact O-OG1 3.1Å
371	T	76.5	Confident	80.1	Confident	41 Å²	41	28.9 Å²	28.9	25%	0.252	16%	0.155	S	C	.	.	H	α-helix	trans	-59	-49.4	-176.6	-58	0	0	0	0	112	A49 A50 T369 S375	A49-T371 HydrophobicContact CB-CG2 4.12Å; A50-T371 HydrophobicContact CB-CG2 4.46Å; T369-T371 PolarHBondContact O-N 3.38Å; T371-S375 WeakPolarHBondContact O-CB 3.24Å; T371-S375 PolarHBondContact O-N 3.46Å; T371-S375 PolarHBondContact O-OG 3.46Å; T371-S375 VanDerWaalsContact O-OG 3.12Å
372	V	78.6	Confident	79.7	Confident	19 Å²	19	33.4 Å²	33.4	12%	0.115	18%	0.175	C	C	.	.	H	α-helix	trans	-63.5	-46.2	179.3	60.9	0	0	0	0	110.9	A49 L232 L240 T369 S370 S375 T376	A49-V372 HydrophobicContact CB-CB 4.21Å; L232-V372 HydrophobicContact CB-CG1 4.41Å; L232-V372 HydrophobicContact CD1-CG1 4.1Å; L240-V372 HydrophobicContact CD1-CG2 4.31Å; T369-V372 VanDerWaalsContact O-CG1 3.24Å; T369-V372 WeakPolarHBondContact O-CG1 3.4Å; S370-V372 PolarHBondContact O-N 2.64Å; V372-S375 PolarHBondContact O-N 3.24Å; V372-S375 PolarHBondContact O-OG 3.46Å; V372-T376 PolarHBondContact O-N 3.08Å; V372-T376 PolarHBondContact O-OG1 2.89Å; V372-T376 VanDerWaalsContact O-OG1 3.06Å
373	L	80.9	Confident	79	Confident	8 Å²	8	38.2 Å²	38.2	4%	0.042	20%	0.197	C	C	.	.	H	α-helix	trans	-62.5	-49	-178.6	-167.1	159.3	0	0	0	112	Q241 V244 L259 L261 T369 S370 S375 T376 L377	Q241-L373 HydrophobicContact CG-CD1 3.97Å; Q241-L373 HydrophobicContact CG-CD2 4.35Å; Q241-L373 HydrophobicContact CG-CG 4.28Å; V244-L373 HydrophobicContact CG2-CD1 4.42Å; L259-L373 HydrophobicContact CD1-CD1 3.83Å; L261-L373 HydrophobicContact CD2-CD2 4.24Å; T369-L373 WeakPolarHBondContact O-CB 3.41Å; T369-L373 PolarHBondContact O-N 3.42Å; S370-L373 PolarHBondContact O-N 3.18Å; L373-S375 VanDerWaalsContact C-N 3.31Å; L373-S375 PolarHBondContact O-N 3.49Å; L373-T376 PolarHBondContact O-N 3.35Å; L373-L377 WeakPolarHBondContact O-CB 3.39Å; L373-L377 PolarHBondContact O-N 3.27Å
374	T	78.1	Confident	78.6	Confident	48 Å²	48	40.6 Å²	40.6	29%	0.294	21%	0.206	S	C	.	.	H	α-helix	trans	-64.3	-38.3	178.9	-48.4	0	0	0	0	111.3	V340 S370 A378	V340-T374 HydrophobicContact CG1-CG2 4.45Å; S370-T374 WeakPolarHBondContact O-CB 3.03Å; S370-T374 PolarHBondContact O-N 3.35Å; S370-T374 PolarHBondContact O-OG1 3.1Å; T374-A378 WeakPolarHBondContact O-CB 3.5Å; T374-A378 PolarHBondContact O-N 2.95Å
375	S	77.4	Confident	78.2	Confident	22 Å²	22	43.5 Å²	43.5	15%	0.154	22%	0.222	C	C	.	.	H	α-helix	trans	-69.6	-38.2	-179.8	76.8	0	0	0	0	113.3	R184 T371 V372 L373 F379	R184-S375 VanDerWaalsContact CZ-OG 3.27Å; R184-S375 PolarHBondContact NH1-OG 2.85Å; R184-S375 VanDerWaalsContact NH2-CB 3.27Å; R184-S375 PolarHBondContact NH2-OG 2.95Å; T371-S375 WeakPolarHBondContact O-CB 3.24Å; T371-S375 PolarHBondContact O-N 3.46Å; T371-S375 PolarHBondContact O-OG 3.46Å; T371-S375 VanDerWaalsContact O-OG 3.12Å; V372-S375 PolarHBondContact O-N 3.24Å; V372-S375 PolarHBondContact O-OG 3.46Å; L373-S375 VanDerWaalsContact C-N 3.31Å; L373-S375 PolarHBondContact O-N 3.49Å; S375-F379 WeakPolarHBondContact O-CB 3.48Å; S375-F379 PolarHBondContact O-N 2.99Å
376	T	79.8	Confident	77.7	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.012	24%	0.237	C	C	.	.	H	α-helix	trans	-70.1	-40.1	175.1	-56.2	0	0	0	0	111.2	L235 A237 L240 V372 L373 F379 Q380	L235-T376 WeakPolarHBondContact O-CG2 3.49Å; A237-T376 HydrophobicContact CB-CG2 4.2Å; L240-T376 HydrophobicContact CD1-CG2 3.85Å; L240-T376 WeakPolarHBondContact CD1-OG1 3.36Å; V372-T376 PolarHBondContact O-N 3.08Å; V372-T376 PolarHBondContact O-OG1 2.89Å; V372-T376 VanDerWaalsContact O-OG1 3.06Å; L373-T376 PolarHBondContact O-N 3.35Å; T376-F379 WeakPolarHBondContact O-CB 3.09Å; T376-F379 PolarHBondContact O-N 2.85Å; T376-Q380 PolarHBondContact O-N 2.83Å
377	L	79.3	Confident	77.2	Confident	22 Å²	22	50.3 Å²	50.3	12%	0.115	26%	0.259	C	S	.	.	H	α-helix	trans	-63.1	-45.2	175.2	-177.7	69.8	0	0	0	112.1	A237 L261 L373 F379 Q380 K381	A237-L377 HydrophobicContact CB-CB 4.28Å; A237-L377 HydrophobicContact CB-CD1 4.21Å; L261-L377 HydrophobicContact CD1-CD1 4.12Å; L261-L377 HydrophobicContact CD1-CD2 3.72Å; L261-L377 HydrophobicContact CD2-CD2 4.06Å; L261-L377 HydrophobicContact CG-CD2 4.34Å; L373-L377 WeakPolarHBondContact O-CB 3.39Å; L373-L377 PolarHBondContact O-N 3.27Å; L377-F379 VanDerWaalsContact C-N 3.31Å; L377-F379 PolarHBondContact O-N 3.24Å; L377-Q380 PolarHBondContact O-N 2.92Å; L377-K381 WeakPolarHBondContact O-CG 3.37Å; L377-K381 PolarHBondContact O-N 2.77Å; L377-K381 VanDerWaalsContact O-N 3.12Å
378	A	76.1	Confident	77	Confident	44 Å²	44	50.7 Å²	50.7	36%	0.364	26%	0.257	S	S	.	.	H	α-helix	trans	-60.5	-42.5	175.7	0	0	0	0	0	111.2	T374 K381 E382	T374-A378 WeakPolarHBondContact O-CB 3.5Å; T374-A378 PolarHBondContact O-N 2.95Å; A378-K381 PolarHBondContact O-N 2.78Å; A378-E382 WeakPolarHBondContact O-CB 3.48Å; A378-E382 WeakPolarHBondContact O-CG 3.33Å; A378-E382 PolarHBondContact O-N 3.28Å
379	F	76.9	Confident	77	Confident	37 Å²	37	51.8 Å²	51.8	16%	0.162	27%	0.272	C	S	.	.	H	α-helix	trans	-58.8	-47.9	176.1	168.9	-102.2	0	0	0	112.8	A187 V188 S375 T376 L377 K381 E382 Q383	A187-F379 HydrophobicContact CB-CE2 3.75Å; A187-F379 HydrophobicContact CB-CZ 3.88Å; V188-F379 HydrophobicContact CG2-CD2 4.49Å; S375-F379 WeakPolarHBondContact O-CB 3.48Å; S375-F379 PolarHBondContact O-N 2.99Å; T376-F379 WeakPolarHBondContact O-CB 3.09Å; T376-F379 PolarHBondContact O-N 2.85Å; L377-F379 VanDerWaalsContact C-N 3.31Å; L377-F379 PolarHBondContact O-N 3.24Å; F379-K381 VanDerWaalsContact C-N 3.35Å; F379-K381 PolarHBondContact O-N 3.15Å; F379-E382 PolarHBondContact O-N 3.22Å; F379-Q383 WeakPolarHBondContact O-CB 3.45Å; F379-Q383 PolarHBondContact O-N 3.22Å
380	Q	77.8	Confident	77	Confident	51 Å²	51	56.7 Å²	56.7	24%	0.238	29%	0.294	C	S	.	.	H	α-helix	trans	-63.7	-39.4	179.2	-74.2	-174.3	-40.9	0	0	112.6	D236 T376 L377 Q383 K384	D236-Q380 PolarHBondContact OD1-NE2 3.23Å; T376-Q380 PolarHBondContact O-N 2.83Å; L377-Q380 PolarHBondContact O-N 2.92Å; Q380-Q383 PolarHBondContact O-N 2.98Å; Q380-K384 WeakPolarHBondContact O-CB 3.31Å; Q380-K384 PolarHBondContact O-N 2.99Å
381	K	74.6	Confident	76.9	Confident	69 Å²	69	58.6 Å²	58.6	30%	0.3	31%	0.311	S	S	.	.	H	α-helix	trans	-64.3	-48.1	176.4	-73.5	-179.4	177	-175.1	0	112.2	L377 A378 F379 Q383 K384 L385	L377-K381 WeakPolarHBondContact O-CG 3.37Å; L377-K381 PolarHBondContact O-N 2.77Å; L377-K381 VanDerWaalsContact O-N 3.12Å; A378-K381 PolarHBondContact O-N 2.78Å; F379-K381 VanDerWaalsContact C-N 3.35Å; F379-K381 PolarHBondContact O-N 3.15Å; K381-Q383 VanDerWaalsContact C-N 3.3Å; K381-Q383 PolarHBondContact O-N 2.89Å; K381-K384 WeakPolarHBondContact O-CB 3.47Å; K381-K384 PolarHBondContact O-N 2.92Å; K381-L385 WeakPolarHBondContact O-CG 3.27Å; K381-L385 PolarHBondContact O-N 2.81Å
382	E	75.1	Confident	77.1	Confident	116 Å²	116	58 Å²	58	54%	0.542	31%	0.305	S	S	.	.	H	α-helix	trans	-60.5	-40.7	176	-76.7	-66.2	148.7	0	0	111.8	A378 F379 K384 L385 K386	A378-E382 WeakPolarHBondContact O-CB 3.48Å; A378-E382 WeakPolarHBondContact O-CG 3.33Å; A378-E382 PolarHBondContact O-N 3.28Å; F379-E382 PolarHBondContact O-N 3.22Å; E382-K384 VanDerWaalsContact C-N 3.34Å; E382-K384 PolarHBondContact O-N 2.97Å; E382-L385 PolarHBondContact O-N 3.43Å; E382-K386 WeakPolarHBondContact O-CB 3.31Å; E382-K386 PolarHBondContact O-N 2.75Å
383	Q	74.4	Confident	77.3	Confident	104 Å²	104	62.4 Å²	62.4	49%	0.486	33%	0.328	S	S	.	.	H	α-helix	trans	-61.7	-42.7	175.3	-174.8	176.7	8	0	0	111.7	F379 Q380 K381 K386 V387	F379-Q383 WeakPolarHBondContact O-CB 3.45Å; F379-Q383 PolarHBondContact O-N 3.22Å; Q380-Q383 PolarHBondContact O-N 2.98Å; K381-Q383 VanDerWaalsContact C-N 3.3Å; K381-Q383 PolarHBondContact O-N 2.89Å; Q383-K386 PolarHBondContact O-N 3.15Å; Q383-V387 WeakPolarHBondContact O-CG2 3.34Å; Q383-V387 PolarHBondContact O-N 2.83Å; Q383-V387 VanDerWaalsContact O-N 3.15Å
384	K	74.3	Confident	77.4	Confident	136 Å²	136	66.4 Å²	66.4	59%	0.591	35%	0.346	S	S	*	.	H	α-helix	trans	-63	-51.7	176.5	-175.2	-178.8	175.4	-177.1	0	111.6	Q380 K381 E382 K386 V387 E388	Q380-K384 WeakPolarHBondContact O-CB 3.31Å; Q380-K384 PolarHBondContact O-N 2.99Å; K381-K384 WeakPolarHBondContact O-CB 3.47Å; K381-K384 PolarHBondContact O-N 2.92Å; E382-K384 VanDerWaalsContact C-N 3.34Å; E382-K384 PolarHBondContact O-N 2.97Å; K384-K386 VanDerWaalsContact C-N 3.26Å; K384-K386 PolarHBondContact O-N 3.08Å; K384-V387 PolarHBondContact O-N 2.94Å; K384-V387 VanDerWaalsContact O-N 3.13Å; K384-E388 WeakPolarHBondContact CE-OE1 3.47Å; K384-E388 WeakPolarHBondContact CG-OE1 3.31Å; K384-E388 WeakPolarHBondContact O-CG 3.05Å; K384-E388 PolarHBondContact O-N 3.36Å; K384-E388 VanDerWaalsContact O-N 3.08Å
385	L	73.9	Confident	77.7	Confident	88 Å²	88	64.4 Å²	64.4	46%	0.461	33%	0.334	S	S	.	.	H	α-helix	trans	-57	-39.5	177.1	-73.2	171.5	0	0	0	112.1	K381 E382 E388 C389	K381-L385 WeakPolarHBondContact O-CG 3.27Å; K381-L385 PolarHBondContact O-N 2.81Å; E382-L385 PolarHBondContact O-N 3.43Å; L385-E388 PolarHBondContact O-N 3.37Å; L385-C389 PolarHBondContact O-N 2.91Å; L385-C389 PolarHBondContact O-SG 3.1Å
386	K	74.9	Confident	78.1	Confident	71 Å²	71	63.6 Å²	63.6	31%	0.309	33%	0.329	S	S	.	.	H	α-helix	trans	-61.8	-47.5	176.6	-178.1	-169.8	172.9	-162.9	0	112	S191 E382 Q383 K384 E388 C389 Q390	S191-K386 PolarHBondContact OG-NZ 3.46Å; E382-K386 WeakPolarHBondContact O-CB 3.31Å; E382-K386 PolarHBondContact O-N 2.75Å; Q383-K386 PolarHBondContact O-N 3.15Å; K384-K386 VanDerWaalsContact C-N 3.26Å; K384-K386 PolarHBondContact O-N 3.08Å; K386-E388 VanDerWaalsContact C-N 3.25Å; K386-E388 PolarHBondContact O-N 2.83Å; K386-C389 PolarHBondContact O-N 3.15Å; K386-Q390 HydrophobicContact CG-CG 4.46Å; K386-Q390 WeakPolarHBondContact O-CB 3.47Å; K386-Q390 WeakPolarHBondContact O-CG 3.49Å; K386-Q390 PolarHBondContact O-N 3.22Å
387	V	76.9	Confident	78.3	Confident	87 Å²	87	69.7 Å²	69.7	53%	0.527	36%	0.355	S	S	.	.	H	α-helix	trans	-60.4	-41.2	179	171.6	0	0	0	0	110	Q383 K384 Q390 A391	Q383-V387 WeakPolarHBondContact O-CG2 3.34Å; Q383-V387 PolarHBondContact O-N 2.83Å; Q383-V387 VanDerWaalsContact O-N 3.15Å; K384-V387 PolarHBondContact O-N 2.94Å; K384-V387 VanDerWaalsContact O-N 3.13Å; V387-Q390 PolarHBondContact O-N 2.92Å; V387-A391 PolarHBondContact O-N 3.11Å
388	E	73.4	Confident	78.6	Confident	45 Å²	45	70.7 Å²	70.7	21%	0.21	36%	0.361	C	S	.	.	H	α-helix	trans	-63.8	-45.2	176.2	-67.3	168	179.8	0	0	112.2	K384 L385 K386 Q390 A391 L392 F530	K384-E388 WeakPolarHBondContact CE-OE1 3.47Å; K384-E388 WeakPolarHBondContact CG-OE1 3.31Å; K384-E388 WeakPolarHBondContact O-CG 3.05Å; K384-E388 PolarHBondContact O-N 3.36Å; K384-E388 VanDerWaalsContact O-N 3.08Å; L385-E388 PolarHBondContact O-N 3.37Å; K386-E388 VanDerWaalsContact C-N 3.25Å; K386-E388 PolarHBondContact O-N 2.83Å; E388-Q390 VanDerWaalsContact C-N 3.34Å; E388-Q390 PolarHBondContact O-N 2.77Å; E388-A391 WeakPolarHBondContact O-CB 3.4Å; E388-A391 PolarHBondContact O-N 3.08Å; E388-L392 PolarHBondContact O-N 2.97Å; E388-L392 VanDerWaalsContact O-N 3.1Å; E388-F530 HydrophobicContact CB-CZ 4.49Å; E388-F530 HydrophobicContact CG-CZ 3.99Å; E388-F530 WeakPolarHBondContact OE2-CE2 2.74Å; E388-F530 WeakPolarHBondContact OE2-CZ 3.11Å
389	C	75.6	Confident	79.1	Confident	75 Å²	75	68.6 Å²	68.6	51%	0.507	34%	0.343	S	S	.	.	H	α-helix	trans	-63.3	-37.7	173.8	-75.7	0	0	0	0	112.9	L385 K386 A391 L392 L393	L385-C389 PolarHBondContact O-N 2.91Å; L385-C389 PolarHBondContact O-SG 3.1Å; K386-C389 PolarHBondContact O-N 3.15Å; C389-A391 VanDerWaalsContact C-N 3.34Å; C389-L392 PolarHBondContact O-N 2.88Å; C389-L393 WeakPolarHBondContact O-CG 3.38Å; C389-L393 PolarHBondContact O-N 3.41Å
390	Q	81	Confident	79.4	Confident	102 Å²	102	70.8 Å²	70.8	48%	0.477	35%	0.353	S	S	.	.	H	α-helix	trans	-66	-38.5	176.7	-76.5	-178.8	-32.5	0	0	111.7	K386 V387 E388 L393 Q394	K386-Q390 HydrophobicContact CG-CG 4.46Å; K386-Q390 WeakPolarHBondContact O-CB 3.47Å; K386-Q390 WeakPolarHBondContact O-CG 3.49Å; K386-Q390 PolarHBondContact O-N 3.22Å; V387-Q390 PolarHBondContact O-N 2.92Å; E388-Q390 VanDerWaalsContact C-N 3.34Å; E388-Q390 PolarHBondContact O-N 2.77Å; Q390-L393 PolarHBondContact O-N 2.85Å; Q390-Q394 WeakPolarHBondContact O-CB 3.48Å; Q390-Q394 PolarHBondContact O-N 2.96Å
391	A	78.5	Confident	79.8	Confident	44 Å²	44	72.6 Å²	72.6	36%	0.364	37%	0.368	S	S	.	.	H	α-helix	trans	-59.7	-49.7	172.7	0	0	0	0	0	110.7	V387 E388 C389 L393 Q394 V395 L420	V387-A391 PolarHBondContact O-N 3.11Å; E388-A391 WeakPolarHBondContact O-CB 3.4Å; E388-A391 PolarHBondContact O-N 3.08Å; C389-A391 VanDerWaalsContact C-N 3.34Å; A391-L393 VanDerWaalsContact C-N 3.35Å; A391-L393 PolarHBondContact O-N 3.15Å; A391-Q394 PolarHBondContact O-N 3.2Å; A391-Q394 VanDerWaalsContact O-N 3.16Å; A391-V395 WeakPolarHBondContact O-CG2 3.43Å; A391-V395 PolarHBondContact O-N 3.46Å; A391-L420 HydrophobicContact CB-CD2 4.39Å
392	L	81.1	Confident	80.1	Confident	27 Å²	27	72.3 Å²	72.3	14%	0.141	37%	0.367	C	S	.	.	H	α-helix	trans	-58	-42.2	176.1	-81	174.7	0	0	0	113.4	E388 C389 V395 A396 L420 L534 A537 F538	E388-L392 PolarHBondContact O-N 2.97Å; E388-L392 VanDerWaalsContact O-N 3.1Å; C389-L392 PolarHBondContact O-N 2.88Å; L392-V395 PolarHBondContact O-N 2.96Å; L392-A396 WeakPolarHBondContact O-CB 3.18Å; L392-A396 PolarHBondContact O-N 3.17Å; L392-L420 HydrophobicContact CD2-CD1 4.24Å; L392-L420 HydrophobicContact CD2-CD2 4.45Å; L392-L534 HydrophobicContact CD1-CD1 3.86Å; L392-L534 HydrophobicContact CD2-CD1 3.67Å; L392-L534 HydrophobicContact CG-CD1 3.77Å; L392-A537 HydrophobicContact CD1-CB 4.24Å; L392-F538 HydrophobicContact CD2-CB 4.49Å
393	L	82.1	Confident	80.5	Confident	112 Å²	112	69.2 Å²	69.2	59%	0.586	35%	0.354	S	S	*	.	H	α-helix	trans	-66.5	-37	177.5	-76.1	173.2	0	0	0	112.6	C389 Q390 A391 A396 K397	C389-L393 WeakPolarHBondContact O-CG 3.38Å; C389-L393 PolarHBondContact O-N 3.41Å; Q390-L393 PolarHBondContact O-N 2.85Å; A391-L393 VanDerWaalsContact C-N 3.35Å; A391-L393 PolarHBondContact O-N 3.15Å; L393-A396 PolarHBondContact O-N 2.92Å; L393-K397 WeakPolarHBondContact O-CB 3.5Å; L393-K397 PolarHBondContact O-N 3.14Å
394	Q	83.8	Confident	80.6	Confident	92 Å²	92	69.5 Å²	69.5	43%	0.43	36%	0.359	S	S	.	.	H	α-helix	trans	-65.9	-43	176.8	-176	55.5	57.8	0	0	110.7	Q390 A391 K397 N398	Q390-Q394 WeakPolarHBondContact O-CB 3.48Å; Q390-Q394 PolarHBondContact O-N 2.96Å; A391-Q394 PolarHBondContact O-N 3.2Å; A391-Q394 VanDerWaalsContact O-N 3.16Å; Q394-K397 WeakPolarHBondContact O-CB 2.98Å; Q394-K397 PolarHBondContact O-N 2.79Å; Q394-N398 PolarHBondContact NE2-OD1 3.5Å; Q394-N398 VanDerWaalsContact O-CG 3.3Å; Q394-N398 PolarHBondContact O-N 2.81Å; Q394-N398 PolarHBondContact O-OD1 3.18Å
395	V	84.6	Confident	80.9	Confident	7 Å²	7	66.4 Å²	66.4	4%	0.042	35%	0.349	C	S	.	.	H	α-helix	trans	-61.4	-49.1	173.4	172.1	0	0	0	0	111.2	A391 L392 K397 N398 L399 E416 L420 F538	A391-V395 WeakPolarHBondContact O-CG2 3.43Å; A391-V395 PolarHBondContact O-N 3.46Å; L392-V395 PolarHBondContact O-N 2.96Å; V395-K397 PolarHBondContact O-N 3.02Å; V395-N398 PolarHBondContact O-N 3.07Å; V395-L399 HydrophobicContact CG1-CD1 4.4Å; V395-L399 HydrophobicContact CG1-CG 4.36Å; V395-L399 WeakPolarHBondContact O-CG 3.48Å; V395-L399 PolarHBondContact O-N 3.43Å; V395-E416 HydrophobicContact CB-CB 4.49Å; V395-E416 HydrophobicContact CG1-CB 3.63Å; V395-E416 HydrophobicContact CG1-CG 3.94Å; V395-E416 HydrophobicContact CG2-CB 4.14Å; V395-E416 HydrophobicContact CG2-CG 4.26Å; V395-E416 VanDerWaalsContact CG2-OE2 3.26Å; V395-E416 WeakPolarHBondContact CG2-OE2 3.27Å; V395-L420 HydrophobicContact CB-CD1 4.27Å; V395-L420 HydrophobicContact CG1-CD1 4.05Å; V395-L420 HydrophobicContact CG2-CD1 3.82Å; V395-L420 HydrophobicContact CG2-CD2 4.25Å; V395-L420 HydrophobicContact CG2-CG 4.07Å; V395-F538 HydrophobicContact CG1-CD2 3.72Å; V395-F538 HydrophobicContact CG1-CE2 3.3Å; V395-F538 HydrophobicContact CG1-CZ 4.43Å
396	A	85.3	Confident	81.4	Confident	5 Å²	5	62.6 Å²	62.6	4%	0.041	33%	0.329	C	S	.	.	H	α-helix	trans	-56.9	-39.5	177.7	0	0	0	0	0	112.1	L392 L393 L399 F400 Y541	L392-A396 WeakPolarHBondContact O-CB 3.18Å; L392-A396 PolarHBondContact O-N 3.17Å; L393-A396 PolarHBondContact O-N 2.92Å; A396-L399 PolarHBondContact O-N 3.27Å; A396-F400 HydrophobicContact CB-CE2 4.29Å; A396-F400 WeakPolarHBondContact O-CD2 3.38Å; A396-F400 VanDerWaalsContact O-CG 3.31Å; A396-F400 WeakPolarHBondContact O-CG 3.37Å; A396-F400 PolarHBondContact O-N 3.42Å; A396-Y541 HydrophobicContact CB-CD1 3.75Å; A396-Y541 HydrophobicContact CB-CD2 4.36Å; A396-Y541 HydrophobicContact CB-CE1 3.88Å; A396-Y541 HydrophobicContact CB-CE2 4.47Å; A396-Y541 HydrophobicContact CB-CG 4.01Å
397	K	85.4	Confident	81.7	Confident	130 Å²	130	60.9 Å²	60.9	57%	0.565	33%	0.326	S	S	*	.	H	α-helix	trans	-61.8	-46.1	174.5	179.5	-176.7	173.2	-172.2	0	111.9	L393 Q394 V395 L399 F400 T401	L393-K397 WeakPolarHBondContact O-CB 3.5Å; L393-K397 PolarHBondContact O-N 3.14Å; Q394-K397 WeakPolarHBondContact O-CB 2.98Å; Q394-K397 PolarHBondContact O-N 2.79Å; V395-K397 PolarHBondContact O-N 3.02Å; K397-L399 VanDerWaalsContact C-N 3.34Å; K397-F400 PolarHBondContact O-N 3.24Å; K397-T401 PolarHBondContact O-N 2.87Å; K397-T401 PolarHBondContact O-OG1 2.88Å
398	N	85.2	Confident	82	Confident	43 Å²	43	59 Å²	59	23%	0.23	31%	0.314	C	S	.	.	H	α-helix	trans	-63	-40.9	179.2	-66	-8.6	0	0	0	111.2	Q394 V395 T401 H402 E416	Q394-N398 PolarHBondContact NE2-OD1 3.5Å; Q394-N398 VanDerWaalsContact O-CG 3.3Å; Q394-N398 PolarHBondContact O-N 2.81Å; Q394-N398 PolarHBondContact O-OD1 3.18Å; V395-N398 PolarHBondContact O-N 3.07Å; N398-T401 PolarHBondContact O-N 3.33Å; N398-T401 PolarHBondContact O-OG1 3.24Å; N398-H402 PolarHBondContact O-CD2 3.35Å; N398-H402 VanDerWaalsContact O-CD2 3.29Å; N398-E416 PolarHBondContact ND2-OE1 3.42Å
399	L	86.5	Confident	82.8	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.1	-42.8	176.5	-63.4	-171.7	0	0	0	112.5	V395 A396 K397 T401 H402 L409 E412 I413 F538	V395-L399 HydrophobicContact CG1-CD1 4.4Å; V395-L399 HydrophobicContact CG1-CG 4.36Å; V395-L399 WeakPolarHBondContact O-CG 3.48Å; V395-L399 PolarHBondContact O-N 3.43Å; A396-L399 PolarHBondContact O-N 3.27Å; K397-L399 VanDerWaalsContact C-N 3.34Å; L399-T401 VanDerWaalsContact C-N 3.26Å; L399-T401 PolarHBondContact O-N 2.99Å; L399-H402 PolarHBondContact O-N 3.26Å; L399-L409 HydrophobicContact CB-CD1 4.17Å; L399-L409 HydrophobicContact CD2-CD1 4.12Å; L399-L409 WeakPolarHBondContact O-CD1 3.45Å; L399-E412 HydrophobicContact CD2-CB 4.08Å; L399-I413 HydrophobicContact CD1-CG1 4.09Å; L399-I413 HydrophobicContact CD2-CB 4.42Å; L399-I413 HydrophobicContact CD2-CG1 3.48Å; L399-I413 VanDerWaalsContact CD2-CG1 3.48Å; L399-I413 HydrophobicContact CG-CG1 4.42Å; L399-F538 HydrophobicContact CD1-CE2 3.82Å; L399-F538 HydrophobicContact CD1-CZ 4.32Å
400	F	83.6	Confident	83.3	Confident	83 Å²	83	53.3 Å²	53.3	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-73.4	-12.4	-177.5	-66.9	-39.1	0	0	0	114.7	A396 K397 L403 Y541 I544 S545	A396-F400 HydrophobicContact CB-CE2 4.29Å; A396-F400 WeakPolarHBondContact O-CD2 3.38Å; A396-F400 VanDerWaalsContact O-CG 3.31Å; A396-F400 WeakPolarHBondContact O-CG 3.37Å; A396-F400 PolarHBondContact O-N 3.42Å; K397-F400 PolarHBondContact O-N 3.24Å; F400-L403 HydrophobicContact CD1-CD2 4.49Å; F400-L403 WeakPolarHBondContact O-CD1 3.45Å; F400-L403 WeakPolarHBondContact O-CG 3.43Å; F400-Y541 HydrophobicContact CE2-CD1 4.21Å; F400-Y541 AromaticContact CZ-CD1 3.98Å; F400-Y541 HydrophobicContact CZ-CD1 3.98Å; F400-I544 HydrophobicContact CE1-CB 4.5Å; F400-I544 HydrophobicContact CE1-CG2 4.03Å; F400-I544 HydrophobicContact CZ-CG2 4.45Å; F400-S545 WeakPolarHBondContact CD1-OG 3.41Å; F400-S545 WeakPolarHBondContact CE1-OG 3.31Å
401	T	85.8	Confident	83.6	Confident	89 Å²	89	51.3 Å²	51.3	55%	0.546	27%	0.271	S	S	.	.	H	α-helix	trans	-82.3	-15.4	175.5	46.7	0	0	0	0	114	K397 N398 L399	K397-T401 PolarHBondContact O-N 2.87Å; K397-T401 PolarHBondContact O-OG1 2.88Å; N398-T401 PolarHBondContact O-N 3.33Å; N398-T401 PolarHBondContact O-OG1 3.24Å; L399-T401 VanDerWaalsContact C-N 3.26Å; L399-T401 PolarHBondContact O-N 2.99Å
402	H	81	Confident	84.1	Confident	63 Å²	63	52 Å²	52	29%	0.292	27%	0.267	S	S	.	.			trans	-113.8	33.6	-174.3	-64.8	-64.1	0	0	0	113.3	N398 L399 D404 V408	N398-H402 PolarHBondContact O-CD2 3.35Å; N398-H402 VanDerWaalsContact O-CD2 3.29Å; L399-H402 PolarHBondContact O-N 3.26Å; H402-D404 PolarHBondContact O-N 3.45Å; H402-V408 HydrophobicContact CB-CG1 4.23Å
403	L	82.4	Confident	84.5	Confident	50 Å²	50	50.7 Å²	50.7	26%	0.262	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-14.8	-177.2	-65.2	171.7	0	0	0	113.7	F400 S545 H548 S549	F400-L403 HydrophobicContact CD1-CD2 4.49Å; F400-L403 WeakPolarHBondContact O-CD1 3.45Å; F400-L403 WeakPolarHBondContact O-CG 3.43Å; L403-S545 WeakPolarHBondContact CD2-O 3.4Å; L403-H548 HydrophobicContact CD2-CB 4.36Å; L403-S549 VanDerWaalsContact O-CA 3.27Å; L403-S549 WeakPolarHBondContact O-CA 3.1Å; L403-S549 WeakPolarHBondContact O-CB 3.49Å; L403-S549 PolarHBondContact O-OG 3.44Å
404	D	77.3	Confident	84.8	Confident	111 Å²	111	45.6 Å²	45.6	59%	0.594	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-33	-176.9	55.9	-33.8	0	0	0	113.7	H402	H402-D404 PolarHBondContact O-N 3.45Å
405	D	81.1	Confident	85	Confident	70 Å²	70	43.5 Å²	43.5	37%	0.374	23%	0.227	S	C	.	.			trans	-127.2	111.8	177.2	-167	-24.6	0	0	0	112.1	S407 V408 L409	D405-S407 PolarHBondContact O-N 3.29Å; D405-S407 VanDerWaalsContact OD1-CB 3.3Å; D405-S407 WeakPolarHBondContact OD1-CB 3.28Å; D405-S407 PolarHBondContact OD1-N 3.48Å; D405-S407 PolarHBondContact OD1-OG 3.04Å; D405-V408 HydrophobicContact CB-CB 4.32Å; D405-V408 HydrophobicContact CB-CG2 4.07Å; D405-V408 PolarHBondContact O-N 3.14Å; D405-L409 PolarHBondContact O-N 3.41Å
406	V	83.3	Confident	85.3	Confident	8 Å²	8	44.4 Å²	44.4	5%	0.048	23%	0.231	C	C	.	.	H	α-helix	trans	-55.2	-34.7	177.9	-178.7	0	0	0	0	111.7	L410 L430 S549 L550	V406-L410 HydrophobicContact CG1-CD1 4.06Å; V406-L410 HydrophobicContact CG1-CG 4.26Å; V406-L410 WeakPolarHBondContact O-CB 3.41Å; V406-L410 VanDerWaalsContact O-CG 3.22Å; V406-L410 WeakPolarHBondContact O-CG 3.43Å; V406-L410 PolarHBondContact O-N 3.16Å; V406-L430 HydrophobicContact CG1-CD1 4.29Å; V406-S549 WeakPolarHBondContact CG2-OG 3.23Å; V406-S549 PolarHBondContact N-OG 3.38Å; V406-L550 HydrophobicContact CG1-CD2 4.22Å; V406-L550 HydrophobicContact CG2-CD2 3.94Å; V406-L550 HydrophobicContact CG2-CG 4.31Å
407	S	81.8	Confident	85.5	Confident	35 Å²	35	44.3 Å²	44.3	25%	0.245	23%	0.23	C	C	.	.	H	α-helix	trans	-69.2	-43.3	-177	-49.7	0	0	0	0	111.5	D405 L410 Q411	D405-S407 PolarHBondContact O-N 3.29Å; D405-S407 VanDerWaalsContact OD1-CB 3.3Å; D405-S407 WeakPolarHBondContact OD1-CB 3.28Å; D405-S407 PolarHBondContact OD1-N 3.48Å; D405-S407 PolarHBondContact OD1-OG 3.04Å; S407-L410 PolarHBondContact O-N 3.38Å; S407-Q411 PolarHBondContact O-N 3.42Å
408	V	84.3	Confident	85.7	Confident	47 Å²	47	41.2 Å²	41.2	29%	0.285	22%	0.215	S	C	.	.	H	α-helix	trans	-68	-42.6	176.4	179.6	0	0	0	0	110	H402 D405 L410 Q411 E412	H402-V408 HydrophobicContact CB-CG1 4.23Å; D405-V408 HydrophobicContact CB-CB 4.32Å; D405-V408 HydrophobicContact CB-CG2 4.07Å; D405-V408 PolarHBondContact O-N 3.14Å; V408-L410 VanDerWaalsContact C-N 3.35Å; V408-L410 PolarHBondContact O-N 3.31Å; V408-Q411 WeakPolarHBondContact O-CB 3.4Å; V408-Q411 PolarHBondContact O-N 3.01Å; V408-E412 PolarHBondContact O-N 3.33Å
409	L	88.6	Confident	85.8	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-57.6	-45.7	175.5	177.4	62.5	0	0	0	112.3	L399 D405 Q411 E412 I413 S545 I546	L399-L409 HydrophobicContact CB-CD1 4.17Å; L399-L409 HydrophobicContact CD2-CD1 4.12Å; L399-L409 WeakPolarHBondContact O-CD1 3.45Å; D405-L409 PolarHBondContact O-N 3.41Å; L409-Q411 VanDerWaalsContact C-N 3.31Å; L409-Q411 PolarHBondContact O-N 3.05Å; L409-E412 PolarHBondContact O-N 3.38Å; L409-I413 HydrophobicContact CD1-CD1 4.28Å; L409-I413 HydrophobicContact CD1-CG1 4.43Å; L409-I413 HydrophobicContact CG-CD1 4.08Å; L409-I413 VanDerWaalsContact O-CG1 3.32Å; L409-I413 WeakPolarHBondContact O-CG1 3.32Å; L409-I413 PolarHBondContact O-N 3.43Å; L409-S545 WeakPolarHBondContact CD2-O 3.46Å; L409-I546 HydrophobicContact CD2-CG1 4.14Å
410	L	87.7	Confident	85.8	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-63.7	-36.1	178.9	-74.1	174.3	0	0	0	112.3	V406 S407 V408 I413 I414 V428 L430 K441 V442 I546	V406-L410 HydrophobicContact CG1-CD1 4.06Å; V406-L410 HydrophobicContact CG1-CG 4.26Å; V406-L410 WeakPolarHBondContact O-CB 3.41Å; V406-L410 VanDerWaalsContact O-CG 3.22Å; V406-L410 WeakPolarHBondContact O-CG 3.43Å; V406-L410 PolarHBondContact O-N 3.16Å; S407-L410 PolarHBondContact O-N 3.38Å; V408-L410 VanDerWaalsContact C-N 3.35Å; V408-L410 PolarHBondContact O-N 3.31Å; L410-I413 PolarHBondContact O-N 3.35Å; L410-I414 VanDerWaalsContact O-CG1 3.32Å; L410-I414 WeakPolarHBondContact O-CG1 3.3Å; L410-I414 PolarHBondContact O-N 2.91Å; L410-V428 HydrophobicContact CD2-CB 4.45Å; L410-V428 HydrophobicContact CD2-CG1 3.72Å; L410-L430 HydrophobicContact CD1-CD1 3.94Å; L410-L430 HydrophobicContact CD1-CG 4.38Å; L410-L430 HydrophobicContact CD2-CD1 4.46Å; L410-L430 HydrophobicContact CD2-CD2 4.25Å; L410-L430 HydrophobicContact CD2-CG 4.37Å; L410-K441 HydrophobicContact CD1-CB 4.04Å; L410-V442 HydrophobicContact CB-CG2 3.94Å; L410-V442 HydrophobicContact CD1-CG2 4.41Å; L410-I546 HydrophobicContact CD2-CD1 4.03Å; L410-I546 HydrophobicContact CD2-CG1 4.37Å
411	Q	85.9	Confident	86	Confident	60 Å²	60	41.2 Å²	41.2	28%	0.28	22%	0.219	S	C	.	.	H	α-helix	trans	-63.1	-46.8	173.9	-77.7	-179.8	-22.4	0	0	112	S407 V408 L409 I413 I414 V415 V442	S407-Q411 PolarHBondContact O-N 3.42Å; V408-Q411 WeakPolarHBondContact O-CB 3.4Å; V408-Q411 PolarHBondContact O-N 3.01Å; L409-Q411 VanDerWaalsContact C-N 3.31Å; L409-Q411 PolarHBondContact O-N 3.05Å; Q411-I413 VanDerWaalsContact C-N 3.31Å; Q411-I413 PolarHBondContact O-N 3.38Å; Q411-I414 WeakPolarHBondContact O-CB 3.33Å; Q411-I414 PolarHBondContact O-N 2.99Å; Q411-V415 WeakPolarHBondContact O-CG2 3.24Å; Q411-V415 PolarHBondContact O-N 2.98Å; Q411-V442 HydrophobicContact CG-CB 4.43Å; Q411-V442 HydrophobicContact CG-CG1 3.37Å; Q411-V442 HydrophobicContact CG-CG2 4.22Å
412	E	88.4	Confident	86.2	Confident	57 Å²	57	40.4 Å²	40.4	27%	0.266	21%	0.211	S	C	.	.	H	α-helix	trans	-62.3	-40.2	176.6	-72.9	-62	160.2	0	0	111.5	L399 V408 L409 I414 V415 E416	L399-E412 HydrophobicContact CD2-CB 4.08Å; V408-E412 PolarHBondContact O-N 3.33Å; L409-E412 PolarHBondContact O-N 3.38Å; E412-I414 VanDerWaalsContact C-N 3.32Å; E412-I414 PolarHBondContact O-N 2.65Å; E412-V415 PolarHBondContact O-N 2.79Å; E412-E416 VanDerWaalsContact O-CB 3.32Å; E412-E416 WeakPolarHBondContact O-CB 3.32Å; E412-E416 VanDerWaalsContact O-CG 3.24Å; E412-E416 WeakPolarHBondContact O-CG 3.45Å; E412-E416 PolarHBondContact O-N 2.69Å
413	I	90.1	Very high	86.6	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-58.5	-44.9	174.3	-69.8	172	0	0	0	111.2	L399 L409 L410 Q411 A417 V428 F538 C542 I546	L399-I413 HydrophobicContact CD1-CG1 4.09Å; L399-I413 HydrophobicContact CD2-CB 4.42Å; L399-I413 HydrophobicContact CD2-CG1 3.48Å; L399-I413 VanDerWaalsContact CD2-CG1 3.48Å; L399-I413 HydrophobicContact CG-CG1 4.42Å; L409-I413 HydrophobicContact CD1-CD1 4.28Å; L409-I413 HydrophobicContact CD1-CG1 4.43Å; L409-I413 HydrophobicContact CG-CD1 4.08Å; L409-I413 VanDerWaalsContact O-CG1 3.32Å; L409-I413 WeakPolarHBondContact O-CG1 3.32Å; L409-I413 PolarHBondContact O-N 3.43Å; L410-I413 PolarHBondContact O-N 3.35Å; Q411-I413 VanDerWaalsContact C-N 3.31Å; Q411-I413 PolarHBondContact O-N 3.38Å; I413-A417 WeakPolarHBondContact O-CB 3.22Å; I413-A417 PolarHBondContact O-N 2.95Å; I413-V428 HydrophobicContact CG2-CG2 3.89Å; I413-F538 HydrophobicContact CB-CZ 4.46Å; I413-F538 HydrophobicContact CG2-CE1 3.97Å; I413-F538 HydrophobicContact CG2-CZ 3.94Å; I413-C542 HydrophobicContact CD1-CB 4.03Å; I413-I546 HydrophobicContact CD1-CD1 3.59Å; I413-I546 HydrophobicContact CD1-CG1 3.73Å
414	I	89.1	Confident	86.9	Confident	4 Å²	4	39 Å²	39	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-48.5	178.8	-72.8	165.5	0	0	0	110.9	L410 Q411 E412 R418 C426 V428 V442	L410-I414 VanDerWaalsContact O-CG1 3.32Å; L410-I414 WeakPolarHBondContact O-CG1 3.3Å; L410-I414 PolarHBondContact O-N 2.91Å; Q411-I414 WeakPolarHBondContact O-CB 3.33Å; Q411-I414 PolarHBondContact O-N 2.99Å; E412-I414 VanDerWaalsContact C-N 3.32Å; E412-I414 PolarHBondContact O-N 2.65Å; I414-R418 WeakPolarHBondContact O-CB 3.49Å; I414-R418 PolarHBondContact O-N 3.19Å; I414-R418 VanDerWaalsContact O-N 3.1Å; I414-C426 HydrophobicContact CG2-CB 4.05Å; I414-C426 WeakPolarHBondContact CG2-O 3.42Å; I414-V428 HydrophobicContact CD1-CG2 4.46Å; I414-V428 HydrophobicContact CG1-CB 4.27Å; I414-V428 HydrophobicContact CG1-CG2 3.66Å; I414-V442 HydrophobicContact CD1-CB 3.98Å; I414-V442 HydrophobicContact CD1-CG1 3.74Å
415	V	88.5	Confident	87.5	Confident	49 Å²	49	36.3 Å²	36.3	30%	0.297	19%	0.189	S	C	.	.	H	α-helix	trans	-63.7	-47.3	-178.4	172.1	0	0	0	0	110.9	Q411 E412 R418 N419	Q411-V415 WeakPolarHBondContact O-CG2 3.24Å; Q411-V415 PolarHBondContact O-N 2.98Å; E412-V415 PolarHBondContact O-N 2.79Å; V415-R418 PolarHBondContact O-N 3.34Å; V415-N419 PolarHBondContact O-N 3.04Å; V415-N419 VanDerWaalsContact O-N 3.08Å; V415-N419 PolarHBondContact O-ND2 2.88Å; V415-N419 PolarHBondContact O-OD1 3.2Å
416	E	89.4	Confident	87.9	Confident	26 Å²	26	33 Å²	33	12%	0.121	17%	0.172	C	C	.	.	H	α-helix	trans	-70.9	-39.4	-177.2	-65.7	-68.7	-170.7	0	0	112.1	V395 N398 E412 R418 N419 L420 F538	V395-E416 HydrophobicContact CB-CB 4.49Å; V395-E416 HydrophobicContact CG1-CB 3.63Å; V395-E416 HydrophobicContact CG1-CG 3.94Å; V395-E416 HydrophobicContact CG2-CB 4.14Å; V395-E416 HydrophobicContact CG2-CG 4.26Å; V395-E416 VanDerWaalsContact CG2-OE2 3.26Å; V395-E416 WeakPolarHBondContact CG2-OE2 3.27Å; N398-E416 PolarHBondContact ND2-OE1 3.42Å; E412-E416 VanDerWaalsContact O-CB 3.32Å; E412-E416 WeakPolarHBondContact O-CB 3.32Å; E412-E416 VanDerWaalsContact O-CG 3.24Å; E412-E416 WeakPolarHBondContact O-CG 3.45Å; E412-E416 PolarHBondContact O-N 2.69Å; E416-R418 VanDerWaalsContact C-N 3.33Å; E416-R418 PolarHBondContact O-N 3.14Å; E416-N419 PolarHBondContact O-N 2.82Å; E416-L420 VanDerWaalsContact O-CB 3.3Å; E416-L420 WeakPolarHBondContact O-CB 3.45Å; E416-L420 WeakPolarHBondContact O-CG 3.21Å; E416-L420 PolarHBondContact O-N 3.41Å; E416-F538 HydrophobicContact CB-CE2 4.25Å; E416-F538 HydrophobicContact CB-CZ 4.31Å
417	A	89.7	Confident	88	Confident	3 Å²	3	33.3 Å²	33.3	3%	0.025	18%	0.175	C	C	.	.	H	α-helix	trans	-59.7	-45.1	174.6	0	0	0	0	0	111.4	I413 N419 L420 S421 L518 F538	I413-A417 WeakPolarHBondContact O-CB 3.22Å; I413-A417 PolarHBondContact O-N 2.95Å; A417-N419 PolarHBondContact O-N 2.68Å; A417-L420 PolarHBondContact O-N 3.09Å; A417-S421 PolarHBondContact O-N 3.08Å; A417-S421 VanDerWaalsContact O-N 3.08Å; A417-S421 PolarHBondContact O-OG 3.45Å; A417-S421 VanDerWaalsContact O-OG 3.06Å; A417-L518 HydrophobicContact CB-CD2 4.08Å; A417-F538 HydrophobicContact CB-CD1 4.25Å; A417-F538 HydrophobicContact CB-CE1 3.53Å; A417-F538 HydrophobicContact CB-CZ 4.05Å
418	R	89.8	Confident	88.4	Confident	64 Å²	64	31.9 Å²	31.9	24%	0.242	16%	0.164	C	C	.	.	H	α-helix	trans	-61	-45.4	178.7	-172.4	-178.1	62	-162.5	-4.7	111.6	I414 V415 E416 D422 A423 E424 C426 D444	I414-R418 WeakPolarHBondContact O-CB 3.49Å; I414-R418 PolarHBondContact O-N 3.19Å; I414-R418 VanDerWaalsContact O-N 3.1Å; V415-R418 PolarHBondContact O-N 3.34Å; E416-R418 VanDerWaalsContact C-N 3.33Å; E416-R418 PolarHBondContact O-N 3.14Å; R418-D422 WeakPolarHBondContact O-CA 3.34Å; R418-D422 PolarHBondContact O-N 3.42Å; R418-D422 VanDerWaalsContact O-N 3.07Å; R418-A423 HydrophobicContact CG-CB 4.44Å; R418-A423 WeakPolarHBondContact CG-O 3.33Å; R418-A423 PolarHBondContact O-N 3.43Å; R418-A423 VanDerWaalsContact O-N 3.07Å; R418-E424 WeakPolarHBondContact CD-O 3.06Å; R418-C426 HydrophobicContact CB-CB 4.24Å; R418-D444 IonicContact CZ-OD2 3.04Å; R418-D444 IonicContact NH1-OD1 3.51Å; R418-D444 PolarHBondContact NH1-OD1 3.22Å; R418-D444 VanDerWaalsContact NH1-OD1 3.11Å; R418-D444 IonicContact NH1-OD2 2.97Å; R418-D444 PolarHBondContact NH1-OD2 3.36Å
419	N	88.3	Confident	88.6	Confident	89 Å²	89	30.1 Å²	30.1	48%	0.476	15%	0.153	S	C	.	.	H	α-helix	trans	-69.1	-40.4	-179.9	-65.6	-18.3	0	0	0	112.2	V415 E416 A417	V415-N419 PolarHBondContact O-N 3.04Å; V415-N419 VanDerWaalsContact O-N 3.08Å; V415-N419 PolarHBondContact O-ND2 2.88Å; V415-N419 PolarHBondContact O-OD1 3.2Å; E416-N419 PolarHBondContact O-N 2.82Å; A417-N419 PolarHBondContact O-N 2.68Å
420	L	86.6	Confident	88.7	Confident	32 Å²	32	31 Å²	31	17%	0.168	16%	0.157	C	C	.	.	H	α-helix	trans	-65.4	-38.2	178.8	-81.5	169.4	0	0	0	112.3	A391 L392 V395 E416 A417 L534 F538	A391-L420 HydrophobicContact CB-CD2 4.39Å; L392-L420 HydrophobicContact CD2-CD1 4.24Å; L392-L420 HydrophobicContact CD2-CD2 4.45Å; V395-L420 HydrophobicContact CB-CD1 4.27Å; V395-L420 HydrophobicContact CG1-CD1 4.05Å; V395-L420 HydrophobicContact CG2-CD1 3.82Å; V395-L420 HydrophobicContact CG2-CD2 4.25Å; V395-L420 HydrophobicContact CG2-CG 4.07Å; E416-L420 VanDerWaalsContact O-CB 3.3Å; E416-L420 WeakPolarHBondContact O-CB 3.45Å; E416-L420 WeakPolarHBondContact O-CG 3.21Å; E416-L420 PolarHBondContact O-N 3.41Å; A417-L420 PolarHBondContact O-N 3.09Å; L420-L534 HydrophobicContact CB-CD2 3.99Å; L420-L534 HydrophobicContact CD2-CD1 4.44Å; L420-L534 HydrophobicContact CD2-CD2 4.3Å; L420-L534 WeakPolarHBondContact O-CD2 3.25Å; L420-F538 HydrophobicContact CD1-CB 4.43Å; L420-F538 HydrophobicContact CD1-CD2 3.65Å; L420-F538 HydrophobicContact CD1-CE2 4.12Å; L420-F538 HydrophobicContact CD1-CG 4.07Å
421	S	86.9	Confident	88.8	Confident	5 Å²	5	32.9 Å²	32.9	4%	0.035	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	3.3	-176.3	74.2	0	0	0	0	114.5	A417 A423 L518 K521	A417-S421 PolarHBondContact O-N 3.08Å; A417-S421 VanDerWaalsContact O-N 3.08Å; A417-S421 PolarHBondContact O-OG 3.45Å; A417-S421 VanDerWaalsContact O-OG 3.06Å; S421-A423 PolarHBondContact O-N 3.07Å; S421-A423 WeakPolarHBondContact OG-CB 3.38Å; S421-L518 WeakPolarHBondContact OG-CD1 3.38Å; S421-L518 WeakPolarHBondContact OG-CD2 3.49Å; S421-K521 VanDerWaalsContact O-CD 3.28Å; S421-K521 WeakPolarHBondContact O-CD 3.37Å; S421-K521 WeakPolarHBondContact O-CE 3.34Å; S421-K521 PolarHBondContact O-NZ 3.01Å
422	D	89.3	Confident	88.8	Confident	72 Å²	72	32.5 Å²	32.5	39%	0.385	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	45.4	-169.9	-62.4	-48.7	0	0	0	113.2	R418 K521 M522	R418-D422 WeakPolarHBondContact O-CA 3.34Å; R418-D422 PolarHBondContact O-N 3.42Å; R418-D422 VanDerWaalsContact O-N 3.07Å; D422-K521 HydrophobicContact CB-CD 4.39Å; D422-K521 IonicContact OD2-NZ 2.91Å; D422-M522 PolarHBondContact O-N 3.42Å
423	A	89.9	Confident	88.5	Confident	7 Å²	7	35.6 Å²	35.6	6%	0.058	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	158.1	177	0	0	0	0	0	111.1	R418 S421 L518 N520 F527	R418-A423 HydrophobicContact CG-CB 4.44Å; R418-A423 WeakPolarHBondContact CG-O 3.33Å; R418-A423 PolarHBondContact O-N 3.43Å; R418-A423 VanDerWaalsContact O-N 3.07Å; S421-A423 PolarHBondContact O-N 3.07Å; S421-A423 WeakPolarHBondContact OG-CB 3.38Å; A423-L518 HydrophobicContact CB-CB 4.07Å; A423-L518 HydrophobicContact CB-CD2 3.83Å; A423-N520 CarbonylContact C-O 3.57Å; A423-N520 WeakPolarHBondContact CA-O 3.04Å; A423-F527 HydrophobicContact CB-CE1 4.21Å; A423-F527 HydrophobicContact CB-CZ 4.04Å
424	E	89.7	Confident	88	Confident	77 Å²	77	42 Å²	42	36%	0.36	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-41.6	175.3	-163.8	172.9	179.5	0	0	110.9	R418 V519 N520 M522	R418-E424 WeakPolarHBondContact CD-O 3.06Å; E424-V519 PolarHBondContact N-O 3.2Å; E424-N520 HydrophobicContact CB-CB 3.72Å; E424-N520 PolarHBondContact N-O 2.84Å; E424-N520 WeakPolarHBondContact OE2-CB 3.49Å; E424-N520 PolarHBondContact OE2-ND2 2.67Å; E424-M522 HydrophobicContact CB-SD 3.85Å; E424-M522 HydrophobicContact CG-SD 3.93Å
425	I	88.4	Confident	87.7	Confident	54 Å²	54	44 Å²	44	28%	0.277	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	143.1	-178.1	-57	179.8	0	0	0	109.6	F495 V519	I425-F495 HydrophobicContact CD1-CD2 4.18Å; I425-F495 HydrophobicContact CD1-CE1 3.97Å; I425-F495 HydrophobicContact CD1-CE2 3.56Å; I425-F495 HydrophobicContact CD1-CZ 3.43Å; I425-F495 VanDerWaalsContact CD1-CZ 3.43Å; I425-F495 HydrophobicContact CG1-CE2 4.42Å; I425-F495 HydrophobicContact CG1-CZ 4.16Å; I425-V519 HydrophobicContact CB-CB 4.35Å; I425-V519 PolarHBondContact N-O 3.17Å; I425-V519 PolarHBondContact O-N 3.13Å
426	C	89.4	Confident	87.5	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.007	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	138.9	166.8	-175.5	0	0	0	0	110.7	I414 R418 E517 L518	I414-C426 HydrophobicContact CG2-CB 4.05Å; I414-C426 WeakPolarHBondContact CG2-O 3.42Å; R418-C426 HydrophobicContact CB-CB 4.24Å; C426-E517 CarbonylContact C-O 3.57Å; C426-E517 VanDerWaalsContact CA-O 3.29Å; C426-E517 WeakPolarHBondContact CA-O 3.47Å; C426-L518 HydrophobicContact CB-CD2 3.67Å
427	S	87	Confident	87.5	Confident	15 Å²	15	50 Å²	50	11%	0.105	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	142.1	171.8	55.9	0	0	0	0	110.4	F429 A516 E517	S427-F429 WeakPolarHBondContact OG-CE2 3.43Å; S427-A516 CarbonylContact O-C 3.37Å; S427-A516 WeakPolarHBondContact O-CA 3.32Å; S427-E517 PolarHBondContact N-O 2.6Å; S427-E517 PolarHBondContact O-N 3.39Å
428	V	89.4	Confident	87.3	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.03	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129	178.7	-179.5	0	0	0	0	109.4	L410 I413 I414 I505 A516	L410-V428 HydrophobicContact CD2-CB 4.45Å; L410-V428 HydrophobicContact CD2-CG1 3.72Å; I413-V428 HydrophobicContact CG2-CG2 3.89Å; I414-V428 HydrophobicContact CD1-CG2 4.46Å; I414-V428 HydrophobicContact CG1-CB 4.27Å; I414-V428 HydrophobicContact CG1-CG2 3.66Å; V428-I505 HydrophobicContact CG1-CD1 3.98Å; V428-A516 HydrophobicContact CG2-CB 4.14Å
429	F	89.3	Confident	87	Confident	10 Å²	10	47.2 Å²	47.2	4%	0.044	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132.2	179.7	-56.9	-91.8	0	0	0	109.6	S427 L438 A440 F455 I457 A464 G514 V515	S427-F429 WeakPolarHBondContact OG-CE2 3.43Å; F429-L438 HydrophobicContact CB-CB 4.07Å; F429-L438 HydrophobicContact CB-CD2 4.14Å; F429-A440 HydrophobicContact CD1-CB 3.69Å; F429-A440 HydrophobicContact CE1-CB 3.69Å; F429-F455 HydrophobicContact CE1-CD1 4.21Å; F429-F455 HydrophobicContact CE1-CE1 4.39Å; F429-I457 HydrophobicContact CD1-CD1 4.34Å; F429-I457 HydrophobicContact CE1-CD1 4.19Å; F429-A464 HydrophobicContact CD2-CB 4.39Å; F429-A464 HydrophobicContact CE2-CB 4.49Å; F429-G514 CarbonylContact O-C 3.56Å; F429-G514 WeakPolarHBondContact O-CA 3.35Å; F429-V515 PolarHBondContact N-O 3.3Å; F429-V515 PolarHBondContact O-N 2.98Å
430	L	90.5	Very high	86.4	Confident	17 Å²	17	43.1 Å²	43.1	9%	0.089	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	138.4	172.6	-66	-176.3	0	0	0	110.2	V406 L410 D432 L438 V439 I546	V406-L430 HydrophobicContact CG1-CD1 4.29Å; L410-L430 HydrophobicContact CD1-CD1 3.94Å; L410-L430 HydrophobicContact CD1-CG 4.38Å; L410-L430 HydrophobicContact CD2-CD1 4.46Å; L410-L430 HydrophobicContact CD2-CD2 4.25Å; L410-L430 HydrophobicContact CD2-CG 4.37Å; L430-D432 PolarHBondContact O-N 3.21Å; L430-L438 WeakPolarHBondContact O-CA 3.49Å; L430-V439 PolarHBondContact N-O 3.11Å; L430-V439 PolarHBondContact O-N 2.86Å; L430-I546 HydrophobicContact CD2-CD1 4.18Å; L430-I546 HydrophobicContact CD2-CG2 3.79Å
431	L	89.3	Confident	85.3	Confident	42 Å²	42	45 Å²	45	22%	0.22	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	115.4	178.4	-176.9	66.6	0	0	0	110.2	L438 A459 V512 I513	L431-L438 HydrophobicContact CB-CD2 4.18Å; L431-L438 HydrophobicContact CD1-CD2 4.02Å; L431-L438 HydrophobicContact CD1-CG 4.44Å; L431-A459 HydrophobicContact CD1-CB 3.56Å; L431-V512 WeakPolarHBondContact CD2-O 3.4Å; L431-I513 PolarHBondContact N-O 3.38Å
432	D	86.1	Confident	84.2	Confident	53 Å²	53	45 Å²	45	28%	0.283	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	109.8	166.8	-179.9	6.2	0	0	0	109.7	L430 V434 S435 H436 E437 V439	L430-D432 PolarHBondContact O-N 3.21Å; D432-V434 VanDerWaalsContact C-N 3.26Å; D432-V434 PolarHBondContact O-N 3.34Å; D432-V434 PolarHBondContact OD1-N 3.33Å; D432-S435 WeakPolarHBondContact CB-OG 3.27Å; D432-S435 PolarHBondContact OD2-OG 3.18Å; D432-H436 WeakPolarHBondContact O-CA 3.27Å; D432-H436 PolarHBondContact O-N 3.06Å; D432-E437 PolarHBondContact N-O 3.12Å; D432-E437 PolarHBondContact O-N 3.18Å; D432-V439 HydrophobicContact CB-CG2 4.12Å
433	R	81.3	Confident	82.6	Confident	121 Å²	121	46.5 Å²	46.5	46%	0.457	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-19.5	-177.2	-62.5	-176.3	179.5	-131.9	10.1	113.6	E511	R433-E511 IonicContact CZ-OE2 2.61Å; R433-E511 IonicContact NH1-OE2 2.76Å; R433-E511 PolarHBondContact NH1-OE2 2.68Å; R433-E511 IonicContact NH2-OE2 3.63Å; R433-E511 PolarHBondContact NH2-OE2 3.48Å
434	V	80.1	Confident	80.7	Confident	135 Å²	135	49.7 Å²	49.7	82%	0.818	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-46.2	-178.1	-178	0	0	0	0	110.3	D432	D432-V434 VanDerWaalsContact C-N 3.26Å; D432-V434 PolarHBondContact O-N 3.34Å; D432-V434 PolarHBondContact OD1-N 3.33Å
435	S	83.2	Confident	78.6	Confident	48 Å²	48	50 Å²	50	34%	0.336	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-14.8	179.4	56	0	0	0	0	113.4	D432 E437	D432-S435 WeakPolarHBondContact CB-OG 3.27Å; D432-S435 PolarHBondContact OD2-OG 3.18Å; S435-E437 VanDerWaalsContact C-N 3.29Å
436	H	84.6	Confident	76.8	Confident	139 Å²	139	49.2 Å²	49.2	64%	0.644	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	39.1	-170.7	-73.6	-75.1	0	0	0	113	D432 A459	D432-H436 WeakPolarHBondContact O-CA 3.27Å; D432-H436 PolarHBondContact O-N 3.06Å; H436-A459 VanDerWaalsContact O-CB 3.25Å; H436-A459 WeakPolarHBondContact O-CB 3.35Å; H436-A459 PolarHBondContact O-N 3.25Å; H436-A459 VanDerWaalsContact O-N 3.11Å
437	E	88.5	Confident	75	Confident	61 Å²	61	52.9 Å²	52.9	29%	0.285	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	149.7	-179.7	-62.6	178.9	151	0	0	111.3	D432 S435 R456 I457	D432-E437 PolarHBondContact N-O 3.12Å; D432-E437 PolarHBondContact O-N 3.18Å; S435-E437 VanDerWaalsContact C-N 3.29Å; E437-R456 WeakPolarHBondContact OE2-CD 3.41Å; E437-R456 IonicContact OE2-CZ 3.58Å; E437-R456 IonicContact OE2-NH1 2.76Å; E437-R456 PolarHBondContact OE2-NH1 3.14Å; E437-I457 CarbonylContact C-O 3.4Å; E437-I457 WeakPolarHBondContact CA-O 3.23Å
438	L	85.2	Confident	73.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	121.5	167.1	-73.2	170.1	0	0	0	108.7	F429 L430 L431 R456 I457 A459 A464 A468 V515	F429-L438 HydrophobicContact CB-CB 4.07Å; F429-L438 HydrophobicContact CB-CD2 4.14Å; L430-L438 WeakPolarHBondContact O-CA 3.49Å; L431-L438 HydrophobicContact CB-CD2 4.18Å; L431-L438 HydrophobicContact CD1-CD2 4.02Å; L431-L438 HydrophobicContact CD1-CG 4.44Å; L438-R456 WeakPolarHBondContact O-CA 3.44Å; L438-I457 HydrophobicContact CB-CD1 4.24Å; L438-I457 HydrophobicContact CB-CG1 3.63Å; L438-I457 HydrophobicContact CD1-CD1 4.17Å; L438-I457 HydrophobicContact CD1-CG1 4.21Å; L438-I457 PolarHBondContact N-O 3.42Å; L438-I457 PolarHBondContact O-N 3.24Å; L438-A459 HydrophobicContact CG-CB 4.33Å; L438-A464 HydrophobicContact CD1-CB 4Å; L438-A468 HydrophobicContact CD1-CB 4.14Å; L438-A468 HydrophobicContact CD2-CB 4.25Å; L438-V515 HydrophobicContact CD2-CG2 4.44Å
439	V	84.2	Confident	71.1	Confident	8 Å²	8	59.2 Å²	59.2	5%	0.048	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.6	-175.7	-170.1	0	0	0	0	109.5	L430 D432 K441 E454 R456	L430-V439 PolarHBondContact N-O 3.11Å; L430-V439 PolarHBondContact O-N 2.86Å; D432-V439 HydrophobicContact CB-CG2 4.12Å; V439-K441 HydrophobicContact CG1-CG 4.27Å; V439-E454 HydrophobicContact CG1-CB 4.11Å; V439-E454 HydrophobicContact CG1-CG 4.31Å; V439-R456 HydrophobicContact CG1-CG 4.35Å; V439-R456 HydrophobicContact CG2-CG 4.24Å
440	A	76.1	Confident	69.2	Low	3 Å²	3	63.4 Å²	63.4	3%	0.025	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	111.2	168.3	0	0	0	0	0	109.4	F429 F443 F455	F429-A440 HydrophobicContact CD1-CB 3.69Å; F429-A440 HydrophobicContact CE1-CB 3.69Å; A440-F443 HydrophobicContact CB-CD2 4.35Å; A440-F443 HydrophobicContact CB-CE2 3.82Å; A440-F455 HydrophobicContact CB-CB 4.27Å; A440-F455 HydrophobicContact CB-CD1 4.42Å; A440-F455 PolarHBondContact N-O 2.89Å
441	K	63.9	Low	67.3	Low	72 Å²	72	71.2 Å²	71.2	31%	0.313	40%	0.401	S	S	.	.			trans	-88.9	-18.5	176.4	-70.6	-161.3	167.9	-158.3	0	113.8	L410 V439 E454	L410-K441 HydrophobicContact CD1-CB 4.04Å; V439-K441 HydrophobicContact CG1-CG 4.27Å; K441-E454 WeakPolarHBondContact CE-OE1 3.43Å; K441-E454 IonicContact NZ-OE1 3.94Å
442	V	63.1	Low	65.1	Low	5 Å²	5	78.1 Å²	78.1	3%	0.03	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	129.9	-173.7	-177.9	0	0	0	0	108.8	L410 Q411 I414	L410-V442 HydrophobicContact CB-CG2 3.94Å; L410-V442 HydrophobicContact CD1-CG2 4.41Å; Q411-V442 HydrophobicContact CG-CB 4.43Å; Q411-V442 HydrophobicContact CG-CG1 3.37Å; Q411-V442 HydrophobicContact CG-CG2 4.22Å; I414-V442 HydrophobicContact CD1-CB 3.98Å; I414-V442 HydrophobicContact CD1-CG1 3.74Å
443	F	56.3	Low	63.5	Low	104 Å²	104	81 Å²	81	46%	0.456	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	153.5	168.4	-96.5	-90.4	0	0	0	109.6	A440 G445 G446 F455	A440-F443 HydrophobicContact CB-CD2 4.35Å; A440-F443 HydrophobicContact CB-CE2 3.82Å; F443-G445 PolarHBondContact O-N 2.96Å; F443-G446 PolarHBondContact O-N 3.12Å; F443-F455 HydrophobicContact CE2-CB 4.02Å; F443-F455 HydrophobicContact CE2-CD1 4.4Å; F443-F455 HydrophobicContact CE2-CG 4.32Å; F443-F455 HydrophobicContact CZ-CD1 4.42Å
444	D	48.5	Very low	62.7	Low	74 Å²	74	77.8 Å²	77.8	40%	0.396	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	69.2	178.7	-158.6	6.2	0	0	0	110.9	R418	R418-D444 IonicContact CZ-OD2 3.04Å; R418-D444 IonicContact NH1-OD1 3.51Å; R418-D444 PolarHBondContact NH1-OD1 3.22Å; R418-D444 VanDerWaalsContact NH1-OD1 3.11Å; R418-D444 IonicContact NH1-OD2 2.97Å; R418-D444 PolarHBondContact NH1-OD2 3.36Å
445	G	46.6	Very low	62.4	Low	84 Å²	84	76.3 Å²	76.3	87%	0.866	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	173.9	-9.1	-170	0	0	0	0	0	115.6	F443	F443-G445 PolarHBondContact O-N 2.96Å
446	G	51.4	Low	62.2	Low	36 Å²	36	79 Å²	79	37%	0.371	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	151.9	170.1	172.3	0	0	0	0	0	114.8	F443	F443-G446 PolarHBondContact O-N 3.12Å
447	V	50.3	Low	62.2	Low	79 Å²	79	74 Å²	74	48%	0.479	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	126.4	168.8	-173.3	0	0	0	0	107.9	S449	V447-S449 PolarHBondContact O-N 2.93Å; V447-S449 VanDerWaalsContact O-N 3.13Å
448	V	50.8	Low	62	Low	47 Å²	47	73.6 Å²	73.6	29%	0.285	40%	0.403	S	S	.	.			trans	-74.9	101.9	169.8	-172.8	0	0	0	0	107.2	N453	V448-N453 HydrophobicContact CG1-CB 3.28Å
449	S	43.7	Very low	62	Low	106 Å²	106	74.2 Å²	74.2	74%	0.741	41%	0.409	S	S	*	.			trans	-80.5	-13.1	-172.6	53.8	0	0	0	0	114.8	V447	V447-S449 PolarHBondContact O-N 2.93Å; V447-S449 VanDerWaalsContact O-N 3.13Å
450	D	48.8	Very low	62.1	Low	97 Å²	97	79.8 Å²	79.8	52%	0.519	44%	0.438	S	S	.	.	S	Bend	trans	-110.7	129.8	-178.6	-67.4	-30.8	0	0	0	110.8	E452 N453	D450-E452 PolarHBondContact O-N 3.16Å; D450-N453 PolarHBondContact O-N 3.32Å; D450-N453 VanDerWaalsContact O-N 3.08Å
451	E	51	Low	62.5	Low	182 Å²	182	85.4 Å²	85.4	85%	0.85	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-55.4	-19.9	174.1	-65.9	-174.1	163.5	0	0	112.6	N453	E451-N453 VanDerWaalsContact C-N 3.34Å; E451-N453 PolarHBondContact O-N 2.82Å
452	E	43.7	Very low	63.6	Low	187 Å²	187	83.2 Å²	83.2	87%	0.874	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-78.5	-9.7	179.5	-63.6	-172.8	165.5	0	0	114.5	D450	D450-E452 PolarHBondContact O-N 3.16Å
453	N	52.2	Low	64.9	Low	113 Å²	113	83.4 Å²	83.4	60%	0.604	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-112.7	12.6	-178.3	-80.8	-30.5	0	0	0	114	V448 D450 E451 F455	V448-N453 HydrophobicContact CG1-CB 3.28Å; D450-N453 PolarHBondContact O-N 3.32Å; D450-N453 VanDerWaalsContact O-N 3.08Å; E451-N453 VanDerWaalsContact C-N 3.34Å; E451-N453 PolarHBondContact O-N 2.82Å; N453-F455 PolarHBondContact O-N 3.01Å
454	E	64.7	Low	66.4	Low	53 Å²	53	78.7 Å²	78.7	25%	0.248	44%	0.443	C	S	.	.			trans	-64.5	117.3	173.3	-71.7	-168.7	154.2	0	0	110.8	V439 K441 R456	V439-E454 HydrophobicContact CG1-CB 4.11Å; V439-E454 HydrophobicContact CG1-CG 4.31Å; K441-E454 WeakPolarHBondContact CE-OE1 3.43Å; K441-E454 IonicContact NZ-OE1 3.94Å; E454-R456 PolarHBondContact O-N 3.32Å; E454-R456 IonicContact OE2-CZ 2.71Å; E454-R456 IonicContact OE2-NE 2.8Å; E454-R456 IonicContact OE2-NH2 3.89Å; E454-R456 PolarHBondContact OE2-NH2 3.34Å
455	F	73.3	Confident	68.4	Low	104 Å²	104	75.2 Å²	75.2	46%	0.456	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	119.9	175.5	-178.6	-96.5	0	0	0	109.9	F429 A440 F443 N453 I457	F429-F455 HydrophobicContact CE1-CD1 4.21Å; F429-F455 HydrophobicContact CE1-CE1 4.39Å; A440-F455 HydrophobicContact CB-CB 4.27Å; A440-F455 HydrophobicContact CB-CD1 4.42Å; A440-F455 PolarHBondContact N-O 2.89Å; F443-F455 HydrophobicContact CE2-CB 4.02Å; F443-F455 HydrophobicContact CE2-CD1 4.4Å; F443-F455 HydrophobicContact CE2-CG 4.32Å; F443-F455 HydrophobicContact CZ-CD1 4.42Å; N453-F455 PolarHBondContact O-N 3.01Å; F455-I457 HydrophobicContact CD1-CG2 4.18Å; F455-I457 HydrophobicContact CE1-CG2 3.37Å; F455-I457 HydrophobicContact CZ-CG2 3.69Å
456	R	80	Confident	70.5	Confident	105 Å²	105	74.9 Å²	74.9	40%	0.396	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.8	-174.3	-67.3	171.1	170.4	-101.7	-4.4	110.5	E437 L438 V439 E454	E437-R456 WeakPolarHBondContact OE2-CD 3.41Å; E437-R456 IonicContact OE2-CZ 3.58Å; E437-R456 IonicContact OE2-NH1 2.76Å; E437-R456 PolarHBondContact OE2-NH1 3.14Å; L438-R456 WeakPolarHBondContact O-CA 3.44Å; V439-R456 HydrophobicContact CG1-CG 4.35Å; V439-R456 HydrophobicContact CG2-CG 4.24Å; E454-R456 PolarHBondContact O-N 3.32Å; E454-R456 IonicContact OE2-CZ 2.71Å; E454-R456 IonicContact OE2-NE 2.8Å; E454-R456 IonicContact OE2-NH2 3.89Å; E454-R456 PolarHBondContact OE2-NH2 3.34Å
457	I	83.3	Confident	72.6	Confident	34 Å²	34	73.2 Å²	73.2	17%	0.174	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	144.2	173	61.5	-176	0	0	0	109.8	F429 E437 L438 F455 A459 A464	F429-I457 HydrophobicContact CD1-CD1 4.34Å; F429-I457 HydrophobicContact CE1-CD1 4.19Å; E437-I457 CarbonylContact C-O 3.4Å; E437-I457 WeakPolarHBondContact CA-O 3.23Å; L438-I457 HydrophobicContact CB-CD1 4.24Å; L438-I457 HydrophobicContact CB-CG1 3.63Å; L438-I457 HydrophobicContact CD1-CD1 4.17Å; L438-I457 HydrophobicContact CD1-CG1 4.21Å; L438-I457 PolarHBondContact N-O 3.42Å; L438-I457 PolarHBondContact O-N 3.24Å; F455-I457 HydrophobicContact CD1-CG2 4.18Å; F455-I457 HydrophobicContact CE1-CG2 3.37Å; F455-I457 HydrophobicContact CZ-CG2 3.69Å; I457-A459 PolarHBondContact O-N 2.89Å; I457-A464 HydrophobicContact CD1-CB 4.19Å
458	P	85	Confident	74.5	Confident	52 Å²	52	70 Å²	70	34%	0.338	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	137.9	173.1	-25.5	35.2	0	0	0	111.4	D460 Q461	P458-D460 WeakPolarHBondContact CB-OD1 3.46Å; P458-D460 PolarHBondContact O-N 3.34Å; P458-Q461 HydrophobicContact CB-CB 4.08Å; P458-Q461 HydrophobicContact CG-CB 4.43Å; P458-Q461 PolarHBondContact O-N 3.34Å; P458-Q461 VanDerWaalsContact O-N 3.1Å
459	A	86.3	Confident	76.4	Confident	14 Å²	14	72.4 Å²	72.4	12%	0.116	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-8	-173.2	0	0	0	0	0	114.9	L431 H436 L438 I457 G465 T469	L431-A459 HydrophobicContact CD1-CB 3.56Å; H436-A459 VanDerWaalsContact O-CB 3.25Å; H436-A459 WeakPolarHBondContact O-CB 3.35Å; H436-A459 PolarHBondContact O-N 3.25Å; H436-A459 VanDerWaalsContact O-N 3.11Å; L438-A459 HydrophobicContact CG-CB 4.33Å; I457-A459 PolarHBondContact O-N 2.89Å; A459-G465 CarbonylContact O-C 3.57Å; A459-G465 WeakPolarHBondContact O-CA 3.44Å; A459-T469 PolarHBondContact O-OG1 3.49Å
460	D	84.6	Confident	78.7	Confident	125 Å²	125	70.2 Å²	70.2	67%	0.668	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-1.3	178.1	64	-24.5	0	0	0	113.3	P458	P458-D460 WeakPolarHBondContact CB-OD1 3.46Å; P458-D460 PolarHBondContact O-N 3.34Å
461	Q	84.6	Confident	80.7	Confident	121 Å²	121	66.1 Å²	66.1	57%	0.565	34%	0.341	S	S	*	.	S	Bend	trans	-100.3	138.1	-173.2	-169.9	174.2	-1.5	0	0	113.1	P458 G465	P458-Q461 HydrophobicContact CB-CB 4.08Å; P458-Q461 HydrophobicContact CG-CB 4.43Å; P458-Q461 PolarHBondContact O-N 3.34Å; P458-Q461 VanDerWaalsContact O-N 3.1Å; Q461-G465 WeakPolarHBondContact O-CA 3.47Å; Q461-G465 PolarHBondContact O-N 2.92Å; Q461-G465 VanDerWaalsContact O-N 3.14Å
462	G	87.1	Confident	82.7	Confident	25 Å²	25	64.1 Å²	64.1	26%	0.258	33%	0.332	S	S	.	.	H	α-helix	trans	72.5	-163.3	173.7	0	0	0	0	0	114	H466	G462-H466 WeakPolarHBondContact O-CB 3.5Å; G462-H466 PolarHBondContact O-N 2.91Å; G462-H466 VanDerWaalsContact O-N 3.08Å
463	I	90.6	Very high	85.1	Confident	10 Å²	10	57.8 Å²	57.8	5%	0.051	30%	0.304	C	S	.	.	H	α-helix	trans	-67.4	-51.4	-178.5	-64.6	167.9	0	0	0	110.2	G465 H466 V467 L474 I476 L484 F485 I500 C502	I463-G465 VanDerWaalsContact C-N 3.34Å; I463-G465 PolarHBondContact O-N 3.05Å; I463-H466 PolarHBondContact O-N 3.28Å; I463-V467 PolarHBondContact O-N 2.8Å; I463-V467 VanDerWaalsContact O-N 3.07Å; I463-L474 HydrophobicContact CG2-CD2 4.27Å; I463-I476 HydrophobicContact CD1-CD1 3.65Å; I463-I476 HydrophobicContact CG1-CD1 3.97Å; I463-I476 HydrophobicContact CG2-CD1 4.2Å; I463-L484 HydrophobicContact CG1-CB 4.06Å; I463-F485 HydrophobicContact CD1-CB 4.22Å; I463-F485 HydrophobicContact CD1-CD2 3.96Å; I463-I500 HydrophobicContact CD1-CD1 3.41Å; I463-I500 VanDerWaalsContact CD1-CD1 3.41Å; I463-I500 HydrophobicContact CG2-CG2 4.37Å; I463-C502 HydrophobicContact CG2-CB 3.73Å
464	A	89.3	Confident	87.1	Confident	5 Å²	5	54 Å²	54	4%	0.041	28%	0.284	C	S	.	.	H	α-helix	trans	-60.1	-41.5	179	0	0	0	0	0	112.1	F429 L438 I457 V467 A468 V515	F429-A464 HydrophobicContact CD2-CB 4.39Å; F429-A464 HydrophobicContact CE2-CB 4.49Å; L438-A464 HydrophobicContact CD1-CB 4Å; I457-A464 HydrophobicContact CD1-CB 4.19Å; A464-V467 PolarHBondContact O-N 3.32Å; A464-A468 WeakPolarHBondContact O-CB 3.42Å; A464-A468 PolarHBondContact O-N 3.41Å; A464-V515 HydrophobicContact CB-CG1 4.27Å
465	G	89.1	Confident	88.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-67.8	-37.1	177.2	0	0	0	0	0	113.7	A459 Q461 I463 V467 A468 T469	A459-G465 CarbonylContact O-C 3.57Å; A459-G465 WeakPolarHBondContact O-CA 3.44Å; Q461-G465 WeakPolarHBondContact O-CA 3.47Å; Q461-G465 PolarHBondContact O-N 2.92Å; Q461-G465 VanDerWaalsContact O-N 3.14Å; I463-G465 VanDerWaalsContact C-N 3.34Å; I463-G465 PolarHBondContact O-N 3.05Å; G465-V467 PolarHBondContact O-N 2.87Å; G465-A468 PolarHBondContact O-N 3.16Å; G465-T469 WeakPolarHBondContact O-CB 3.32Å; G465-T469 PolarHBondContact O-N 2.61Å; G465-T469 PolarHBondContact O-OG1 3.2Å
466	H	91.9	Very high	89.4	Confident	78 Å²	78	48.7 Å²	48.7	36%	0.361	26%	0.261	S	S	.	.	H	α-helix	trans	-61.9	-44	173.5	-176.8	79	0	0	0	111.9	G462 I463 T469 T470 L484	G462-H466 WeakPolarHBondContact O-CB 3.5Å; G462-H466 PolarHBondContact O-N 2.91Å; G462-H466 VanDerWaalsContact O-N 3.08Å; I463-H466 PolarHBondContact O-N 3.28Å; H466-T469 PolarHBondContact O-N 2.71Å; H466-T470 WeakPolarHBondContact O-CB 3.35Å; H466-T470 VanDerWaalsContact O-CG2 3.3Å; H466-T470 WeakPolarHBondContact O-CG2 3.36Å; H466-T470 PolarHBondContact O-N 2.76Å; H466-T470 PolarHBondContact O-OG1 2.99Å; H466-L484 HydrophobicContact CB-CD1 3.64Å
467	V	93.9	Very high	89.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67.7	-39.1	176.4	171.2	0	0	0	0	111.3	I463 A464 G465 T469 G471 Q472 L474 C502 P504 V515	I463-V467 PolarHBondContact O-N 2.8Å; I463-V467 VanDerWaalsContact O-N 3.07Å; A464-V467 PolarHBondContact O-N 3.32Å; G465-V467 PolarHBondContact O-N 2.87Å; V467-T469 VanDerWaalsContact C-N 3.32Å; V467-T469 PolarHBondContact O-N 3.32Å; V467-G471 WeakPolarHBondContact O-CA 3.39Å; V467-G471 PolarHBondContact O-N 3.05Å; V467-Q472 WeakPolarHBondContact CG1-O 3.4Å; V467-L474 HydrophobicContact CG2-CB 3.71Å; V467-C502 HydrophobicContact CG2-CB 3.96Å; V467-P504 HydrophobicContact CG1-CB 3.95Å; V467-P504 HydrophobicContact CG1-CG 4.3Å; V467-V515 HydrophobicContact CB-CG1 4.12Å; V467-V515 HydrophobicContact CG1-CG1 3.83Å; V467-V515 HydrophobicContact CG1-CG2 4.26Å
468	A	91.6	Very high	90.2	Very high	11 Å²	11	51.6 Å²	51.6	9%	0.091	28%	0.28	C	S	.	.	H	α-helix	trans	-60.5	-41.8	175.2	0	0	0	0	0	112.1	L438 A464 G465 V515	L438-A468 HydrophobicContact CD1-CB 4.14Å; L438-A468 HydrophobicContact CD2-CB 4.25Å; A464-A468 WeakPolarHBondContact O-CB 3.42Å; A464-A468 PolarHBondContact O-N 3.41Å; G465-A468 PolarHBondContact O-N 3.16Å; A468-V515 HydrophobicContact CB-CG2 3.66Å
469	T	89.9	Confident	90.4	Very high	98 Å²	98	49.1 Å²	49.1	60%	0.601	26%	0.263	S	S	*	.	H	α-helix	trans	-77.2	-40.2	-177	-55.5	0	0	0	0	112.4	A459 G465 H466 V467	A459-T469 PolarHBondContact O-OG1 3.49Å; G465-T469 WeakPolarHBondContact O-CB 3.32Å; G465-T469 PolarHBondContact O-N 2.61Å; G465-T469 PolarHBondContact O-OG1 3.2Å; H466-T469 PolarHBondContact O-N 2.71Å; V467-T469 VanDerWaalsContact C-N 3.32Å; V467-T469 PolarHBondContact O-N 3.32Å
470	T	92.3	Very high	90.4	Very high	61 Å²	61	51.1 Å²	51.1	37%	0.374	27%	0.268	S	S	.	.	H	α-helix	trans	-84.6	-27	-177.7	58.4	0	0	0	0	113.1	H466 Q472	H466-T470 WeakPolarHBondContact O-CB 3.35Å; H466-T470 VanDerWaalsContact O-CG2 3.3Å; H466-T470 WeakPolarHBondContact O-CG2 3.36Å; H466-T470 PolarHBondContact O-N 2.76Å; H466-T470 PolarHBondContact O-OG1 2.99Å; T470-Q472 PolarHBondContact O-N 3.29Å; T470-Q472 PolarHBondContact OG1-N 3.1Å
471	G	91.4	Very high	90.6	Very high	10 Å²	10	49.3 Å²	49.3	10%	0.103	27%	0.266	C	S	.	.			trans	63.9	25.4	-173.3	0	0	0	0	0	113.3	V467 K506	V467-G471 WeakPolarHBondContact O-CA 3.39Å; V467-G471 PolarHBondContact O-N 3.05Å; G471-K506 WeakPolarHBondContact O-CE 3.38Å; G471-K506 PolarHBondContact O-NZ 3.44Å
472	Q	92.3	Very high	90.9	Very high	141 Å²	141	46 Å²	46	66%	0.659	25%	0.25	S	C	*	.	S	Bend	trans	-120.8	148.1	178.8	-64.6	-177	8.3	0	0	110.9	V467 T470	V467-Q472 WeakPolarHBondContact CG1-O 3.4Å; T470-Q472 PolarHBondContact O-N 3.29Å; T470-Q472 PolarHBondContact OG1-N 3.1Å
473	I	93.8	Very high	90.9	Very high	54 Å²	54	50.6 Å²	50.6	28%	0.277	28%	0.275	S	S	.	.			trans	-67.2	144.3	176.3	-164.1	162.3	0	0	0	110.7	L501 C502 F503 E532 A535	I473-L501 HydrophobicContact CD1-CD1 3.86Å; I473-L501 HydrophobicContact CG1-CD1 3.9Å; I473-C502 WeakPolarHBondContact CA-O 3.23Å; I473-C502 WeakPolarHBondContact CG1-O 3.34Å; I473-F503 HydrophobicContact CB-CB 4.49Å; I473-F503 HydrophobicContact CD1-CB 3.86Å; I473-F503 HydrophobicContact CG1-CB 3.84Å; I473-E532 HydrophobicContact CD1-CB 4.07Å; I473-E532 HydrophobicContact CD1-CG 4.25Å; I473-A535 HydrophobicContact CD1-CB 4.28Å
474	L	94.5	Very high	90.7	Very high	34 Å²	34	53 Å²	53	18%	0.178	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	114.6	177.7	-174.7	64.1	0	0	0	110.1	I463 V467 I476 C502	I463-L474 HydrophobicContact CG2-CD2 4.27Å; V467-L474 HydrophobicContact CG2-CB 3.71Å; L474-I476 HydrophobicContact CD2-CD1 4.06Å; L474-I476 HydrophobicContact CD2-CG1 4.36Å; L474-I476 HydrophobicContact CG-CD1 4.29Å; L474-I476 HydrophobicContact CG-CG1 4.07Å; L474-C502 PolarHBondContact N-O 2.88Å; L474-C502 PolarHBondContact O-N 3.08Å
475	N	93.4	Very high	90.6	Very high	37 Å²	37	54.1 Å²	54.1	20%	0.198	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.8	176.7	-174.4	-3.3	0	0	0	110.5	L501 F527 E532	N475-L501 HydrophobicContact CB-CD1 3.77Å; N475-F527 PolarHBondContact ND2-O 3.25Å; N475-E532 HydrophobicContact CB-CG 4.34Å; N475-E532 WeakPolarHBondContact CB-OE1 3.43Å; N475-E532 PolarHBondContact ND2-OE1 2.82Å
476	I	93.1	Very high	90.1	Very high	7 Å²	7	62.2 Å²	62.2	4%	0.036	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	114.7	-176	-57.6	170.1	0	0	0	109.1	I463 L474 D478 H482 N499 I500	I463-I476 HydrophobicContact CD1-CD1 3.65Å; I463-I476 HydrophobicContact CG1-CD1 3.97Å; I463-I476 HydrophobicContact CG2-CD1 4.2Å; L474-I476 HydrophobicContact CD2-CD1 4.06Å; L474-I476 HydrophobicContact CD2-CG1 4.36Å; L474-I476 HydrophobicContact CG-CD1 4.29Å; L474-I476 HydrophobicContact CG-CG1 4.07Å; I476-D478 WeakPolarHBondContact CG2-O 3.43Å; I476-H482 HydrophobicContact CD1-CB 4.31Å; I476-H482 HydrophobicContact CG2-CB 3.83Å; I476-N499 VanDerWaalsContact O-CA 3.29Å; I476-N499 WeakPolarHBondContact O-CA 3.26Å; I476-N499 VanDerWaalsContact O-CB 3.32Å; I476-N499 WeakPolarHBondContact O-CB 3.47Å; I476-I500 HydrophobicContact CB-CB 4.33Å; I476-I500 HydrophobicContact CD1-CB 4.49Å; I476-I500 PolarHBondContact N-O 2.62Å; I476-I500 PolarHBondContact O-N 2.83Å
477	K	89.6	Confident	89.5	Confident	121 Å²	121	64.5 Å²	64.5	53%	0.526	33%	0.329	S	S	.	.	S	Bend	trans	-75.3	-33	-179.2	-63.7	-177	178.2	-176.8	0	114.2	W526	K477-W526 HydrophobicContact CB-CB 4.33Å; K477-W526 HydrophobicContact CB-CD2 4.16Å; K477-W526 HydrophobicContact CB-CE3 3.84Å; K477-W526 HydrophobicContact CB-CG 4.38Å; K477-W526 HydrophobicContact CD-CD2 3.79Å; K477-W526 HydrophobicContact CD-CE3 3.92Å; K477-W526 HydrophobicContact CD-CG 4.26Å; K477-W526 HydrophobicContact CD-CH2 4.41Å; K477-W526 HydrophobicContact CD-CZ2 4.3Å; K477-W526 HydrophobicContact CD-CZ3 4.23Å; K477-W526 HydrophobicContact CG-CB 4.14Å; K477-W526 HydrophobicContact CG-CD2 3.86Å; K477-W526 HydrophobicContact CG-CE3 4.03Å; K477-W526 HydrophobicContact CG-CG 3.91Å
478	D	89.3	Confident	88.3	Confident	80 Å²	80	65.6 Å²	65.6	43%	0.428	34%	0.34	S	S	.	.			trans	-137.1	105.1	174.6	176.3	9.8	0	0	0	109.2	I476 Y480 S481 R498	I476-D478 WeakPolarHBondContact CG2-O 3.43Å; D478-Y480 VanDerWaalsContact C-N 3.31Å; D478-Y480 PolarHBondContact O-N 2.75Å; D478-Y480 PolarHBondContact OD1-N 3.04Å; D478-Y480 VanDerWaalsContact OD1-N 3.16Å; D478-S481 PolarHBondContact O-N 3.38Å; D478-S481 PolarHBondContact O-OG 3.49Å; D478-R498 VanDerWaalsContact CA-O 3.32Å; D478-R498 WeakPolarHBondContact CA-O 3.47Å
479	A	89.4	Confident	87.3	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-59.9	-39.3	-176.3	0	0	0	0	0	112.6	S481 H482 F485 T497 R498 I500	A479-S481 PolarHBondContact O-N 3.46Å; A479-H482 PolarHBondContact O-N 2.84Å; A479-H482 VanDerWaalsContact O-N 3.09Å; A479-F485 HydrophobicContact CB-CD1 4.16Å; A479-F485 HydrophobicContact CB-CD2 4Å; A479-F485 HydrophobicContact CB-CE1 4.27Å; A479-F485 HydrophobicContact CB-CE2 4.12Å; A479-F485 HydrophobicContact CB-CG 4.04Å; A479-F485 HydrophobicContact CB-CZ 4.27Å; A479-F485 WeakPolarHBondContact O-CB 3.29Å; A479-F485 WeakPolarHBondContact O-CD1 3.27Å; A479-F485 WeakPolarHBondContact O-CG 3.49Å; A479-T497 HydrophobicContact CB-CG2 3.72Å; A479-R498 PolarHBondContact N-O 2.93Å; A479-I500 HydrophobicContact CB-CD1 3.81Å; A479-I500 HydrophobicContact CB-CG1 4.19Å
480	Y	87.1	Confident	86.8	Confident	56 Å²	56	64.6 Å²	64.6	22%	0.22	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-69.5	-21.1	-176.9	-80.7	-106.8	0	0	0	112.9	D478 F485 R487 D490 R496 T497	D478-Y480 VanDerWaalsContact C-N 3.31Å; D478-Y480 PolarHBondContact O-N 2.75Å; D478-Y480 PolarHBondContact OD1-N 3.04Å; D478-Y480 VanDerWaalsContact OD1-N 3.16Å; Y480-F485 HydrophobicContact CD2-CE1 4Å; Y480-F485 AromaticContact CE2-CE1 3.96Å; Y480-F485 HydrophobicContact CE2-CE1 3.96Å; Y480-F485 HydrophobicContact CE2-CZ 4.49Å; Y480-F485 HydrophobicContact CG-CE1 4.36Å; Y480-R487 HydrophobicContact CD1-CG 4.21Å; Y480-R487 HydrophobicContact CE1-CG 4.12Å; Y480-R487 PolarHBondContact O-NH2 3.23Å; Y480-D490 PolarHBondContact OH-OD2 3.46Å; Y480-R496 HydrophobicContact CE2-CG 4.17Å; Y480-T497 WeakPolarHBondContact CD2-O 3.45Å; Y480-T497 VanDerWaalsContact CE2-O 3.22Å; Y480-T497 WeakPolarHBondContact CE2-O 3.21Å
481	S	89.4	Confident	86	Confident	87 Å²	87	67.6 Å²	67.6	61%	0.608	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-82.1	-16	175.9	76.7	0	0	0	0	113.4	D478 A479	D478-S481 PolarHBondContact O-N 3.38Å; D478-S481 PolarHBondContact O-OG 3.49Å; A479-S481 PolarHBondContact O-N 3.46Å
482	H	89.7	Confident	85	Confident	50 Å²	50	71.7 Å²	71.7	23%	0.231	37%	0.373	C	S	.	.			trans	-89	132.7	-170.4	-160.9	-93.6	0	0	0	112	I476 A479 L484 F485	I476-H482 HydrophobicContact CD1-CB 4.31Å; I476-H482 HydrophobicContact CG2-CB 3.83Å; A479-H482 PolarHBondContact O-N 2.84Å; A479-H482 VanDerWaalsContact O-N 3.09Å; H482-L484 PolarHBondContact ND1-N 2.84Å; H482-L484 PolarHBondContact O-N 2.8Å; H482-F485 HydrophobicContact CB-CB 4.5Å; H482-F485 PolarHBondContact O-N 3.12Å
483	P	86.8	Confident	84.1	Confident	122 Å²	122	69.3 Å²	69.3	79%	0.792	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-21.4	-172.8	26.5	-35.7	0	0	0	114.3
484	L	86.6	Confident	83.2	Confident	60 Å²	60	70.1 Å²	70.1	31%	0.314	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-5.2	-179.6	-63.6	175.5	0	0	0	113.7	I463 H466 H482	I463-L484 HydrophobicContact CG1-CB 4.06Å; H466-L484 HydrophobicContact CB-CD1 3.64Å; H482-L484 PolarHBondContact ND1-N 2.84Å; H482-L484 PolarHBondContact O-N 2.8Å
485	F	86.8	Confident	82.7	Confident	30 Å²	30	71.1 Å²	71.1	13%	0.132	39%	0.393	C	S	.	.			trans	-82.4	127.5	-178	-178.8	-113.3	0	0	0	111.7	I463 A479 Y480 H482 R487 T497 I500	I463-F485 HydrophobicContact CD1-CB 4.22Å; I463-F485 HydrophobicContact CD1-CD2 3.96Å; A479-F485 HydrophobicContact CB-CD1 4.16Å; A479-F485 HydrophobicContact CB-CD2 4Å; A479-F485 HydrophobicContact CB-CE1 4.27Å; A479-F485 HydrophobicContact CB-CE2 4.12Å; A479-F485 HydrophobicContact CB-CG 4.04Å; A479-F485 HydrophobicContact CB-CZ 4.27Å; A479-F485 WeakPolarHBondContact O-CB 3.29Å; A479-F485 WeakPolarHBondContact O-CD1 3.27Å; A479-F485 WeakPolarHBondContact O-CG 3.49Å; Y480-F485 HydrophobicContact CD2-CE1 4Å; Y480-F485 AromaticContact CE2-CE1 3.96Å; Y480-F485 HydrophobicContact CE2-CE1 3.96Å; Y480-F485 HydrophobicContact CE2-CZ 4.49Å; Y480-F485 HydrophobicContact CG-CE1 4.36Å; H482-F485 HydrophobicContact CB-CB 4.5Å; H482-F485 PolarHBondContact O-N 3.12Å; F485-R487 HydrophobicContact CD1-CG 3.98Å; F485-R487 HydrophobicContact CE1-CG 3.93Å; F485-T497 HydrophobicContact CE2-CG2 3.8Å; F485-T497 HydrophobicContact CZ-CG2 4.04Å; F485-I500 HydrophobicContact CD2-CD1 3.76Å; F485-I500 HydrophobicContact CE2-CD1 3.95Å
486	Y	80.1	Confident	82.3	Confident	170 Å²	170	77.9 Å²	77.9	67%	0.667	42%	0.416	S	S	*	.			trans	-99	112.7	179.3	178.7	-104.8	0	0	0	111.5	G488 V489	Y486-G488 VanDerWaalsContact CE1-CA 3.45Å; Y486-G488 PolarHBondContact O-N 3.29Å; Y486-V489 HydrophobicContact CD1-CG2 3.87Å; Y486-V489 HydrophobicContact CE1-CG2 4.02Å
487	R	78.6	Confident	82.1	Confident	125 Å²	125	77.9 Å²	77.9	47%	0.472	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-17.4	-174.5	-61.4	-178.9	-176.5	179.2	-0.4	115	Y480 F485 V489 D490 D491	Y480-R487 HydrophobicContact CD1-CG 4.21Å; Y480-R487 HydrophobicContact CE1-CG 4.12Å; Y480-R487 PolarHBondContact O-NH2 3.23Å; F485-R487 HydrophobicContact CD1-CG 3.98Å; F485-R487 HydrophobicContact CE1-CG 3.93Å; R487-V489 PolarHBondContact O-N 3.07Å; R487-D490 PolarHBondContact O-N 3.32Å; R487-D490 VanDerWaalsContact O-N 3.17Å; R487-D491 VanDerWaalsContact O-CG 3.31Å; R487-D491 PolarHBondContact O-N 3.38Å
488	G	69.6	Low	82.2	Confident	23 Å²	23	76.9 Å²	76.9	24%	0.237	41%	0.409	C	S	.	.	H	α-helix	trans	-65.7	-23.6	-173.2	0	0	0	0	0	114.4	Y486 S492	Y486-G488 VanDerWaalsContact CE1-CA 3.45Å; Y486-G488 PolarHBondContact O-N 3.29Å; G488-S492 WeakPolarHBondContact O-CB 3.3Å; G488-S492 PolarHBondContact O-N 3.16Å; G488-S492 PolarHBondContact O-OG 3.36Å
489	V	70.3	Confident	82.4	Confident	77 Å²	77	73.1 Å²	73.1	47%	0.467	39%	0.389	S	S	.	.	H	α-helix	trans	-73.3	-45.4	173.7	176.8	0	0	0	0	110.5	Y486 R487 S492 T493	Y486-V489 HydrophobicContact CD1-CG2 3.87Å; Y486-V489 HydrophobicContact CE1-CG2 4.02Å; R487-V489 PolarHBondContact O-N 3.07Å; V489-S492 PolarHBondContact O-N 2.9Å; V489-S492 PolarHBondContact O-OG 2.92Å; V489-T493 HydrophobicContact CG1-CG2 4.36Å; V489-T493 WeakPolarHBondContact O-CB 3.4Å; V489-T493 VanDerWaalsContact O-CG2 3.32Å; V489-T493 WeakPolarHBondContact O-CG2 3.32Å; V489-T493 PolarHBondContact O-N 3.47Å; V489-T493 PolarHBondContact O-OG1 3.19Å
490	D	78.5	Confident	82.6	Confident	11 Å²	11	73.1 Å²	73.1	6%	0.059	39%	0.389	C	S	.	.	H	α-helix	trans	-61.8	-44.1	174.5	-80.7	27	0	0	0	111.4	Y480 R487 S492 T493 G494 F495 T497	Y480-D490 PolarHBondContact OH-OD2 3.46Å; R487-D490 PolarHBondContact O-N 3.32Å; R487-D490 VanDerWaalsContact O-N 3.17Å; D490-S492 PolarHBondContact O-N 3.06Å; D490-T493 PolarHBondContact O-N 2.9Å; D490-G494 WeakPolarHBondContact O-CA 3.38Å; D490-G494 PolarHBondContact O-N 3.12Å; D490-F495 WeakPolarHBondContact CA-O 3.27Å; D490-F495 WeakPolarHBondContact CB-O 3.31Å; D490-T497 PolarHBondContact OD1-OG1 3.12Å; D490-T497 VanDerWaalsContact OD2-CB 3.27Å; D490-T497 WeakPolarHBondContact OD2-CB 3.46Å; D490-T497 PolarHBondContact OD2-N 2.87Å; D490-T497 PolarHBondContact OD2-OG1 2.95Å; D490-T497 VanDerWaalsContact OD2-OG1 3.1Å
491	D	76.4	Confident	83	Confident	125 Å²	125	70.5 Å²	70.5	67%	0.668	38%	0.378	S	S	*	.	H	α-helix	trans	-64.8	-26.3	-178.7	-68.1	-27.3	0	0	0	113.1	R487	R487-D491 VanDerWaalsContact O-CG 3.31Å; R487-D491 PolarHBondContact O-N 3.38Å
492	S	69.2	Low	83.2	Confident	95 Å²	95	66.3 Å²	66.3	66%	0.664	35%	0.349	S	S	*	.	H	α-helix	trans	-93.2	-30.7	179.6	55.3	0	0	0	0	113.7	G488 V489 D490	G488-S492 WeakPolarHBondContact O-CB 3.3Å; G488-S492 PolarHBondContact O-N 3.16Å; G488-S492 PolarHBondContact O-OG 3.36Å; V489-S492 PolarHBondContact O-N 2.9Å; V489-S492 PolarHBondContact O-OG 2.92Å; D490-S492 PolarHBondContact O-N 3.06Å
493	T	73.3	Confident	83.5	Confident	92 Å²	92	64 Å²	64	56%	0.564	34%	0.339	S	S	*	.	H	α-helix	trans	-92.5	-19.7	-179	58.6	0	0	0	0	113.2	V489 D490 F495	V489-T493 HydrophobicContact CG1-CG2 4.36Å; V489-T493 WeakPolarHBondContact O-CB 3.4Å; V489-T493 VanDerWaalsContact O-CG2 3.32Å; V489-T493 WeakPolarHBondContact O-CG2 3.32Å; V489-T493 PolarHBondContact O-N 3.47Å; V489-T493 PolarHBondContact O-OG1 3.19Å; D490-T493 PolarHBondContact O-N 2.9Å; T493-F495 PolarHBondContact O-N 3.47Å; T493-F495 WeakPolarHBondContact OG1-CB 3.45Å; T493-F495 PolarHBondContact OG1-N 3.39Å
494	G	76.4	Confident	83.9	Confident	70 Å²	70	58.8 Å²	58.8	72%	0.722	31%	0.305	S	S	*	.			trans	73.7	2.4	-172	0	0	0	0	0	113.7	D490	D490-G494 WeakPolarHBondContact O-CA 3.38Å; D490-G494 PolarHBondContact O-N 3.12Å
495	F	82.2	Confident	84.3	Confident	55 Å²	55	56 Å²	56	24%	0.241	29%	0.29	C	S	.	.			trans	-75.3	141.6	172.7	-173	-101.3	0	0	0	109.7	I425 D490 T493 V519 N520	I425-F495 HydrophobicContact CD1-CD2 4.18Å; I425-F495 HydrophobicContact CD1-CE1 3.97Å; I425-F495 HydrophobicContact CD1-CE2 3.56Å; I425-F495 HydrophobicContact CD1-CZ 3.43Å; I425-F495 VanDerWaalsContact CD1-CZ 3.43Å; I425-F495 HydrophobicContact CG1-CE2 4.42Å; I425-F495 HydrophobicContact CG1-CZ 4.16Å; D490-F495 WeakPolarHBondContact CA-O 3.27Å; D490-F495 WeakPolarHBondContact CB-O 3.31Å; T493-F495 PolarHBondContact O-N 3.47Å; T493-F495 WeakPolarHBondContact OG1-CB 3.45Å; T493-F495 PolarHBondContact OG1-N 3.39Å; F495-V519 HydrophobicContact CE1-CG1 3.89Å; F495-V519 HydrophobicContact CZ-CG1 4.33Å; F495-N520 WeakPolarHBondContact CZ-ND2 3.22Å
496	R	86.3	Confident	84.5	Confident	180 Å²	180	57.2 Å²	57.2	68%	0.679	30%	0.295	S	S	*	.			trans	-116	112.3	178.7	-175.2	176	179.8	169.6	-0.4	110.8	Y480 N520	Y480-R496 HydrophobicContact CE2-CG 4.17Å; R496-N520 PolarHBondContact O-ND2 3.46Å; R496-N520 VanDerWaalsContact O-ND2 3.11Å
497	T	89.3	Confident	84.9	Confident	7 Å²	7	50.8 Å²	50.8	4%	0.043	27%	0.272	C	S	.	.			trans	-83.2	115.5	178.1	-56.5	0	0	0	0	110.6	A479 Y480 F485 D490 I500 V519	A479-T497 HydrophobicContact CB-CG2 3.72Å; Y480-T497 WeakPolarHBondContact CD2-O 3.45Å; Y480-T497 VanDerWaalsContact CE2-O 3.22Å; Y480-T497 WeakPolarHBondContact CE2-O 3.21Å; F485-T497 HydrophobicContact CE2-CG2 3.8Å; F485-T497 HydrophobicContact CZ-CG2 4.04Å; D490-T497 PolarHBondContact OD1-OG1 3.12Å; D490-T497 VanDerWaalsContact OD2-CB 3.27Å; D490-T497 WeakPolarHBondContact OD2-CB 3.46Å; D490-T497 PolarHBondContact OD2-N 2.87Å; D490-T497 PolarHBondContact OD2-OG1 2.95Å; D490-T497 VanDerWaalsContact OD2-OG1 3.1Å; T497-I500 HydrophobicContact CG2-CD1 3.61Å; T497-I500 HydrophobicContact CG2-CG1 3.56Å; T497-V519 HydrophobicContact CG2-CG1 3.6Å
498	R	90.9	Very high	85.2	Confident	100 Å²	100	52.4 Å²	52.4	38%	0.377	29%	0.285	S	S	.	.			trans	-92.3	-55.9	-178.8	-61.1	-177.8	-73.4	125.7	-3.3	111.3	D478 A479 N520 K521	D478-R498 VanDerWaalsContact CA-O 3.32Å; D478-R498 WeakPolarHBondContact CA-O 3.47Å; A479-R498 PolarHBondContact N-O 2.93Å; R498-N520 WeakPolarHBondContact CA-OD1 3.3Å; R498-N520 WeakPolarHBondContact CB-OD1 3.33Å; R498-N520 PolarHBondContact N-OD1 2.87Å; R498-K521 PolarHBondContact NH1-O 3.02Å; R498-K521 PolarHBondContact NH2-O 2.93Å
499	N	92.5	Very high	85.9	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.005	31%	0.306	C	S	.	.			trans	-142.1	152	-176.3	51.5	59.8	0	0	0	110.1	I476 N520 K521 P525 W526 F527	I476-N499 VanDerWaalsContact O-CA 3.29Å; I476-N499 WeakPolarHBondContact O-CA 3.26Å; I476-N499 VanDerWaalsContact O-CB 3.32Å; I476-N499 WeakPolarHBondContact O-CB 3.47Å; N499-N520 PolarHBondContact O-N 3.49Å; N499-N520 VanDerWaalsContact OD1-CA 3.23Å; N499-N520 WeakPolarHBondContact OD1-CA 3.41Å; N499-K521 PolarHBondContact OD1-N 3.47Å; N499-P525 PolarHBondContact ND2-O 3.44Å; N499-W526 HydrophobicContact CB-CB 4.27Å; N499-F527 WeakPolarHBondContact OD1-CE2 3.49Å
500	I	93.9	Very high	86.6	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	132.6	-172.8	-59	169.8	0	0	0	109.3	I463 I476 A479 F485 T497 C502 E517 L518	I463-I500 HydrophobicContact CD1-CD1 3.41Å; I463-I500 VanDerWaalsContact CD1-CD1 3.41Å; I463-I500 HydrophobicContact CG2-CG2 4.37Å; I476-I500 HydrophobicContact CB-CB 4.33Å; I476-I500 HydrophobicContact CD1-CB 4.49Å; I476-I500 PolarHBondContact N-O 2.62Å; I476-I500 PolarHBondContact O-N 2.83Å; A479-I500 HydrophobicContact CB-CD1 3.81Å; A479-I500 HydrophobicContact CB-CG1 4.19Å; F485-I500 HydrophobicContact CD2-CD1 3.76Å; F485-I500 HydrophobicContact CE2-CD1 3.95Å; T497-I500 HydrophobicContact CG2-CD1 3.61Å; T497-I500 HydrophobicContact CG2-CG1 3.56Å; I500-C502 HydrophobicContact CG2-CB 4.41Å; I500-E517 HydrophobicContact CG2-CG 3.61Å; I500-E517 WeakPolarHBondContact CG2-OE1 3.19Å; I500-L518 CarbonylContact C-O 3.54Å; I500-L518 WeakPolarHBondContact CA-O 3.47Å
501	L	95.2	Very high	87.2	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	113	167.2	177.8	65.7	0	0	0	108.9	I473 N475 L518 F527 D531 E532 A535	I473-L501 HydrophobicContact CD1-CD1 3.86Å; I473-L501 HydrophobicContact CG1-CD1 3.9Å; N475-L501 HydrophobicContact CB-CD1 3.77Å; L501-L518 HydrophobicContact CB-CB 4.28Å; L501-L518 HydrophobicContact CD2-CD1 4.17Å; L501-L518 PolarHBondContact N-O 3.33Å; L501-L518 PolarHBondContact O-N 2.9Å; L501-F527 HydrophobicContact CB-CB 4.16Å; L501-F527 HydrophobicContact CB-CD1 4.16Å; L501-F527 HydrophobicContact CB-CD2 3.52Å; L501-F527 HydrophobicContact CB-CE1 4.47Å; L501-F527 HydrophobicContact CB-CE2 3.88Å; L501-F527 HydrophobicContact CB-CG 3.68Å; L501-F527 HydrophobicContact CB-CZ 4.34Å; L501-F527 HydrophobicContact CD2-CB 4.14Å; L501-F527 HydrophobicContact CD2-CD1 4.04Å; L501-F527 HydrophobicContact CD2-CG 4.07Å; L501-F527 HydrophobicContact CG-CG 4.45Å; L501-D531 HydrophobicContact CD2-CB 4.2Å; L501-E532 HydrophobicContact CD1-CG 3.9Å; L501-A535 HydrophobicContact CD2-CB 4.09Å
502	C	94.8	Very high	87.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.7	-177.8	-172.4	0	0	0	0	110.4	I463 V467 I473 L474 I500 V515 A516 E517	I463-C502 HydrophobicContact CG2-CB 3.73Å; V467-C502 HydrophobicContact CG2-CB 3.96Å; I473-C502 WeakPolarHBondContact CA-O 3.23Å; I473-C502 WeakPolarHBondContact CG1-O 3.34Å; L474-C502 PolarHBondContact N-O 2.88Å; L474-C502 PolarHBondContact O-N 3.08Å; I500-C502 HydrophobicContact CG2-CB 4.41Å; C502-V515 WeakPolarHBondContact SG-CG1 3.32Å; C502-A516 CarbonylContact C-O 3.53Å; C502-A516 WeakPolarHBondContact CA-O 3.37Å; C502-A516 PolarHBondContact SG-O 3.29Å; C502-E517 HydrophobicContact CB-CG 4.47Å
503	F	95.3	Very high	89	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.009	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	143.8	-175.1	62.6	-89.6	0	0	0	112.4	I473 A516 L518 A535 F538	I473-F503 HydrophobicContact CB-CB 4.49Å; I473-F503 HydrophobicContact CD1-CB 3.86Å; I473-F503 HydrophobicContact CG1-CB 3.84Å; F503-A516 HydrophobicContact CD1-CB 4.25Å; F503-A516 HydrophobicContact CD2-CB 4.15Å; F503-A516 HydrophobicContact CE1-CB 3.71Å; F503-A516 HydrophobicContact CE2-CB 3.62Å; F503-A516 HydrophobicContact CG-CB 4.46Å; F503-A516 HydrophobicContact CZ-CB 3.38Å; F503-A516 PolarHBondContact N-O 3.1Å; F503-A516 PolarHBondContact O-N 3.25Å; F503-L518 HydrophobicContact CD1-CD1 4.46Å; F503-L518 HydrophobicContact CE1-CD1 3.81Å; F503-L518 HydrophobicContact CE1-CG 4.19Å; F503-A535 HydrophobicContact CD1-CB 3.77Å; F503-A535 HydrophobicContact CE1-CB 3.98Å; F503-A535 HydrophobicContact CG-CB 4.13Å; F503-A535 HydrophobicContact CZ-CB 4.49Å; F503-F538 HydrophobicContact CE2-CD1 4.35Å; F503-F538 HydrophobicContact CZ-CD1 4.04Å; F503-F538 HydrophobicContact CZ-CE1 4.42Å
504	P	95.6	Very high	89.9	Confident	12 Å²	12	50 Å²	50	8%	0.078	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	144.4	-179.9	33.2	-35	0	0	0	110.5	V467 K506 V512 S539	V467-P504 HydrophobicContact CG1-CB 3.95Å; V467-P504 HydrophobicContact CG1-CG 4.3Å; P504-K506 HydrophobicContact CB-CG 4.43Å; P504-V512 HydrophobicContact CB-CG1 4.42Å; P504-V512 HydrophobicContact CB-CG2 4.27Å; P504-S539 PolarHBondContact O-OG 2.88Å
505	I	94.3	Very high	90.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123.4	169	-58.4	172.8	0	0	0	107.6	V428 V512 I513 G514 A516 S539 C542 I546	V428-I505 HydrophobicContact CG1-CD1 3.98Å; I505-V512 WeakPolarHBondContact O-CA 3.42Å; I505-I513 HydrophobicContact CB-CG1 4.46Å; I505-I513 HydrophobicContact CG2-CD1 4.13Å; I505-I513 HydrophobicContact CG2-CG1 3.88Å; I505-I513 WeakPolarHBondContact O-CG1 3.49Å; I505-I513 PolarHBondContact O-N 2.86Å; I505-G514 PolarHBondContact N-O 3.36Å; I505-G514 PolarHBondContact O-N 2.9Å; I505-A516 HydrophobicContact CD1-CB 4.25Å; I505-S539 WeakPolarHBondContact CA-OG 3.43Å; I505-C542 HydrophobicContact CD1-CB 4.24Å; I505-C542 HydrophobicContact CG1-CB 4.39Å; I505-C542 HydrophobicContact CG2-CB 4.09Å; I505-I546 HydrophobicContact CD1-CD1 4.08Å; I505-I546 HydrophobicContact CG2-CD1 4.2Å
506	K	92.3	Very high	91.2	Very high	57 Å²	57	44.1 Å²	44.1	25%	0.248	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	151.6	-173	-56.3	-175.5	-174.2	178.9	0	112.3	G471 P504 N510 E511 V512 G543	G471-K506 WeakPolarHBondContact O-CE 3.38Å; G471-K506 PolarHBondContact O-NZ 3.44Å; P504-K506 HydrophobicContact CB-CG 4.43Å; K506-N510 WeakPolarHBondContact CD-OD1 3.4Å; K506-N510 PolarHBondContact NZ-OD1 3.42Å; K506-E511 CarbonylContact C-O 3.55Å; K506-E511 WeakPolarHBondContact CA-O 3.18Å; K506-V512 HydrophobicContact CG-CG2 4.29Å; K506-G543 WeakPolarHBondContact O-CA 3.25Å
507	D	88	Confident	91.4	Very high	34 Å²	34	37 Å²	37	18%	0.182	18%	0.18	C	C	.	.			trans	-82.9	-177.8	171.1	72.2	4.3	0	0	0	112.5	N509 N510 E511 I513	D507-N509 PolarHBondContact O-N 3.4Å; D507-N509 WeakPolarHBondContact OD1-CA 3.48Å; D507-N509 WeakPolarHBondContact OD1-CB 3.25Å; D507-N509 PolarHBondContact OD1-N 3.07Å; D507-N510 PolarHBondContact O-N 3.47Å; D507-N510 PolarHBondContact OD1-N 2.91Å; D507-N510 VanDerWaalsContact OD1-N 3.13Å; D507-E511 PolarHBondContact N-O 3.43Å; D507-E511 WeakPolarHBondContact OD1-CB 3.16Å; D507-E511 PolarHBondContact OD1-N 3.35Å; D507-I513 HydrophobicContact CB-CG2 3.87Å
508	E	84.1	Confident	91.6	Very high	160 Å²	160	36.8 Å²	36.8	75%	0.748	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.5	177.2	-61.2	-171.2	161.1	0	0	113.5	N510	E508-N510 VanDerWaalsContact C-N 3.25Å; E508-N510 PolarHBondContact O-N 3.22Å
509	N	85.6	Confident	91.7	Very high	125 Å²	125	32.6 Å²	32.6	67%	0.668	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	5.8	177.2	-59.4	-45.7	0	0	0	112.4	D507 E511	D507-N509 PolarHBondContact O-N 3.4Å; D507-N509 WeakPolarHBondContact OD1-CA 3.48Å; D507-N509 WeakPolarHBondContact OD1-CB 3.25Å; D507-N509 PolarHBondContact OD1-N 3.07Å; N509-E511 HydrophobicContact CB-CG 4.16Å; N509-E511 PolarHBondContact O-N 2.8Å
510	N	85.6	Confident	91.6	Very high	113 Å²	113	32.6 Å²	32.6	60%	0.604	16%	0.164	S	C	*	.	S	Bend	trans	64	22.1	-176.1	-160.3	32	0	0	0	112.9	K506 D507 E508	K506-N510 WeakPolarHBondContact CD-OD1 3.4Å; K506-N510 PolarHBondContact NZ-OD1 3.42Å; D507-N510 PolarHBondContact O-N 3.47Å; D507-N510 PolarHBondContact OD1-N 2.91Å; D507-N510 VanDerWaalsContact OD1-N 3.13Å; E508-N510 VanDerWaalsContact C-N 3.25Å; E508-N510 PolarHBondContact O-N 3.22Å
511	E	89.9	Confident	91.5	Very high	91 Å²	91	33.3 Å²	33.3	43%	0.425	17%	0.167	S	C	.	.			trans	-87.9	140	173.1	-59.8	-169.6	158.5	0	0	110.3	R433 K506 D507 N509 I513	R433-E511 IonicContact CZ-OE2 2.61Å; R433-E511 IonicContact NH1-OE2 2.76Å; R433-E511 PolarHBondContact NH1-OE2 2.68Å; R433-E511 IonicContact NH2-OE2 3.63Å; R433-E511 PolarHBondContact NH2-OE2 3.48Å; K506-E511 CarbonylContact C-O 3.55Å; K506-E511 WeakPolarHBondContact CA-O 3.18Å; D507-E511 PolarHBondContact N-O 3.43Å; D507-E511 WeakPolarHBondContact OD1-CB 3.16Å; D507-E511 PolarHBondContact OD1-N 3.35Å; N509-E511 HydrophobicContact CB-CG 4.16Å; N509-E511 PolarHBondContact O-N 2.8Å; E511-I513 PolarHBondContact O-N 2.89Å
512	V	92	Very high	91.2	Very high	22 Å²	22	38.4 Å²	38.4	13%	0.133	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	121.7	179.1	-176.3	0	0	0	0	109.6	L431 P504 I505 K506 G514 V515	L431-V512 WeakPolarHBondContact CD2-O 3.4Å; P504-V512 HydrophobicContact CB-CG1 4.42Å; P504-V512 HydrophobicContact CB-CG2 4.27Å; I505-V512 WeakPolarHBondContact O-CA 3.42Å; K506-V512 HydrophobicContact CG-CG2 4.29Å; V512-G514 VanDerWaalsContact CG1-O 3.27Å; V512-G514 WeakPolarHBondContact CG1-O 3.3Å; V512-V515 HydrophobicContact CG1-CG2 4.36Å
513	I	92	Very high	90.5	Very high	21 Å²	21	44.8 Å²	44.8	11%	0.108	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-14.8	175.5	61.6	170.5	0	0	0	112.5	L431 I505 D507 E511 I546 A547	L431-I513 PolarHBondContact N-O 3.38Å; I505-I513 HydrophobicContact CB-CG1 4.46Å; I505-I513 HydrophobicContact CG2-CD1 4.13Å; I505-I513 HydrophobicContact CG2-CG1 3.88Å; I505-I513 WeakPolarHBondContact O-CG1 3.49Å; I505-I513 PolarHBondContact O-N 2.86Å; D507-I513 HydrophobicContact CB-CG2 3.87Å; E511-I513 PolarHBondContact O-N 2.89Å; I513-I546 HydrophobicContact CD1-CB 4.23Å; I513-I546 HydrophobicContact CD1-CG2 4.02Å; I513-A547 HydrophobicContact CD1-CB 4.35Å
514	G	91.5	Very high	89.6	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.6	178.8	177.7	0	0	0	0	0	111.9	F429 I505 V512	F429-G514 CarbonylContact O-C 3.56Å; F429-G514 WeakPolarHBondContact O-CA 3.35Å; I505-G514 PolarHBondContact N-O 3.36Å; I505-G514 PolarHBondContact O-N 2.9Å; V512-G514 VanDerWaalsContact CG1-O 3.27Å; V512-G514 WeakPolarHBondContact CG1-O 3.3Å
515	V	93	Very high	88.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	140.6	178.5	178.8	0	0	0	0	108.6	F429 L438 A464 V467 A468 C502 V512	F429-V515 PolarHBondContact N-O 3.3Å; F429-V515 PolarHBondContact O-N 2.98Å; L438-V515 HydrophobicContact CD2-CG2 4.44Å; A464-V515 HydrophobicContact CB-CG1 4.27Å; V467-V515 HydrophobicContact CB-CG1 4.12Å; V467-V515 HydrophobicContact CG1-CG1 3.83Å; V467-V515 HydrophobicContact CG1-CG2 4.26Å; A468-V515 HydrophobicContact CB-CG2 3.66Å; C502-V515 WeakPolarHBondContact SG-CG1 3.32Å; V512-V515 HydrophobicContact CG1-CG2 4.36Å
516	A	92.6	Very high	88.3	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.008	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	142.4	171.6	0	0	0	0	0	110.2	S427 V428 C502 F503 I505	S427-A516 CarbonylContact O-C 3.37Å; S427-A516 WeakPolarHBondContact O-CA 3.32Å; V428-A516 HydrophobicContact CG2-CB 4.14Å; C502-A516 CarbonylContact C-O 3.53Å; C502-A516 WeakPolarHBondContact CA-O 3.37Å; C502-A516 PolarHBondContact SG-O 3.29Å; F503-A516 HydrophobicContact CD1-CB 4.25Å; F503-A516 HydrophobicContact CD2-CB 4.15Å; F503-A516 HydrophobicContact CE1-CB 3.71Å; F503-A516 HydrophobicContact CE2-CB 3.62Å; F503-A516 HydrophobicContact CG-CB 4.46Å; F503-A516 HydrophobicContact CZ-CB 3.38Å; F503-A516 PolarHBondContact N-O 3.1Å; F503-A516 PolarHBondContact O-N 3.25Å; I505-A516 HydrophobicContact CD1-CB 4.25Å
517	E	91.9	Very high	88.2	Confident	30 Å²	30	52.6 Å²	52.6	14%	0.14	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.7	179.8	-180	-179.6	-170.4	0	0	109.3	C426 S427 I500 C502 V519	C426-E517 CarbonylContact C-O 3.57Å; C426-E517 VanDerWaalsContact CA-O 3.29Å; C426-E517 WeakPolarHBondContact CA-O 3.47Å; S427-E517 PolarHBondContact N-O 2.6Å; S427-E517 PolarHBondContact O-N 3.39Å; I500-E517 HydrophobicContact CG2-CG 3.61Å; I500-E517 WeakPolarHBondContact CG2-OE1 3.19Å; C502-E517 HydrophobicContact CB-CG 4.47Å; E517-V519 HydrophobicContact CG-CG2 4.01Å
518	L	93.1	Very high	87.9	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.016	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	128	176.1	-67.8	164.4	0	0	0	108.5	A417 S421 A423 C426 I500 L501 F503 F527	A417-L518 HydrophobicContact CB-CD2 4.08Å; S421-L518 WeakPolarHBondContact OG-CD1 3.38Å; S421-L518 WeakPolarHBondContact OG-CD2 3.49Å; A423-L518 HydrophobicContact CB-CB 4.07Å; A423-L518 HydrophobicContact CB-CD2 3.83Å; C426-L518 HydrophobicContact CB-CD2 3.67Å; I500-L518 CarbonylContact C-O 3.54Å; I500-L518 WeakPolarHBondContact CA-O 3.47Å; L501-L518 HydrophobicContact CB-CB 4.28Å; L501-L518 HydrophobicContact CD2-CD1 4.17Å; L501-L518 PolarHBondContact N-O 3.33Å; L501-L518 PolarHBondContact O-N 2.9Å; F503-L518 HydrophobicContact CD1-CD1 4.46Å; F503-L518 HydrophobicContact CE1-CD1 3.81Å; F503-L518 HydrophobicContact CE1-CG 4.19Å; L518-F527 HydrophobicContact CB-CE1 4.29Å; L518-F527 HydrophobicContact CB-CZ 3.93Å
519	V	91.7	Very high	87.8	Confident	12 Å²	12	56.3 Å²	56.3	7%	0.073	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.6	-173.4	-175.1	0	0	0	0	109.8	E424 I425 F495 T497 E517	E424-V519 PolarHBondContact N-O 3.2Å; I425-V519 HydrophobicContact CB-CB 4.35Å; I425-V519 PolarHBondContact N-O 3.17Å; I425-V519 PolarHBondContact O-N 3.13Å; F495-V519 HydrophobicContact CE1-CG1 3.89Å; F495-V519 HydrophobicContact CZ-CG1 4.33Å; T497-V519 HydrophobicContact CG2-CG1 3.6Å; E517-V519 HydrophobicContact CG-CG2 4.01Å
520	N	91.7	Very high	87.6	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.011	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	58.6	99.3	175.8	-70.4	-8.1	0	0	0	115.1	A423 E424 F495 R496 R498 N499 M522	A423-N520 CarbonylContact C-O 3.57Å; A423-N520 WeakPolarHBondContact CA-O 3.04Å; E424-N520 HydrophobicContact CB-CB 3.72Å; E424-N520 PolarHBondContact N-O 2.84Å; E424-N520 WeakPolarHBondContact OE2-CB 3.49Å; E424-N520 PolarHBondContact OE2-ND2 2.67Å; F495-N520 WeakPolarHBondContact CZ-ND2 3.22Å; R496-N520 PolarHBondContact O-ND2 3.46Å; R496-N520 VanDerWaalsContact O-ND2 3.11Å; R498-N520 WeakPolarHBondContact CA-OD1 3.3Å; R498-N520 WeakPolarHBondContact CB-OD1 3.33Å; R498-N520 PolarHBondContact N-OD1 2.87Å; N499-N520 PolarHBondContact O-N 3.49Å; N499-N520 VanDerWaalsContact OD1-CA 3.23Å; N499-N520 WeakPolarHBondContact OD1-CA 3.41Å; N520-M522 PolarHBondContact O-N 2.91Å
521	K	92.2	Very high	87.7	Confident	14 Å²	14	49.4 Å²	49.4	6%	0.061	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	129.3	166.4	-169.3	74.6	178.3	-174	0	110.6	S421 D422 R498 N499 F527 D531	S421-K521 VanDerWaalsContact O-CD 3.28Å; S421-K521 WeakPolarHBondContact O-CD 3.37Å; S421-K521 WeakPolarHBondContact O-CE 3.34Å; S421-K521 PolarHBondContact O-NZ 3.01Å; D422-K521 HydrophobicContact CB-CD 4.39Å; D422-K521 IonicContact OD2-NZ 2.91Å; R498-K521 PolarHBondContact NH1-O 3.02Å; R498-K521 PolarHBondContact NH2-O 2.93Å; N499-K521 PolarHBondContact OD1-N 3.47Å; K521-F527 HydrophobicContact CB-CD1 4.49Å; K521-F527 HydrophobicContact CB-CE1 4.3Å; K521-F527 HydrophobicContact CB-CZ 4.32Å; K521-F527 HydrophobicContact CD-CD1 3.83Å; K521-F527 HydrophobicContact CD-CE1 3.85Å; K521-D531 IonicContact NZ-OD1 3.71Å; K521-D531 PolarHBondContact NZ-OD1 3.1Å; K521-D531 IonicContact NZ-OD2 3.28Å; K521-D531 PolarHBondContact NZ-OD2 3.34Å
522	M	87.6	Confident	87.5	Confident	108 Å²	108	47.5 Å²	47.5	53%	0.532	23%	0.234	S	C	.	.	S	Bend	trans	-79.6	-47.9	-178.8	-67.6	-63.7	-72.8	0	0	112.3	D422 E424 N520	D422-M522 PolarHBondContact O-N 3.42Å; E424-M522 HydrophobicContact CB-SD 3.85Å; E424-M522 HydrophobicContact CG-SD 3.93Å; N520-M522 PolarHBondContact O-N 2.91Å
523	N	81.6	Confident	87.2	Confident	134 Å²	134	51.8 Å²	51.8	72%	0.717	26%	0.256	S	S	*	.	S	Bend	trans	-102.2	35.3	-174.9	-64.4	-27.1	0	0	0	113.1
524	G	75.3	Confident	86.9	Confident	26 Å²	26	51.7 Å²	51.7	27%	0.268	26%	0.255	S	S	.	.	S	Bend	trans	-176.9	166.8	-179.3	0	0	0	0	0	114.5
525	P	78	Confident	86.9	Confident	93 Å²	93	52 Å²	52	60%	0.604	26%	0.258	S	S	*	.	S	Bend	trans	-71.2	-30.9	-179.3	28	-34	0	0	0	113	N499	N499-P525 PolarHBondContact ND2-O 3.44Å
526	W	85.8	Confident	86.7	Confident	114 Å²	114	55.4 Å²	55.4	43%	0.432	28%	0.279	S	S	.	.	S	Bend	trans	-163.7	170.6	178.6	49.7	61.9	0	0	0	110.3	K477 N499	K477-W526 HydrophobicContact CB-CB 4.33Å; K477-W526 HydrophobicContact CB-CD2 4.16Å; K477-W526 HydrophobicContact CB-CE3 3.84Å; K477-W526 HydrophobicContact CB-CG 4.38Å; K477-W526 HydrophobicContact CD-CD2 3.79Å; K477-W526 HydrophobicContact CD-CE3 3.92Å; K477-W526 HydrophobicContact CD-CG 4.26Å; K477-W526 HydrophobicContact CD-CH2 4.41Å; K477-W526 HydrophobicContact CD-CZ2 4.3Å; K477-W526 HydrophobicContact CD-CZ3 4.23Å; K477-W526 HydrophobicContact CG-CB 4.14Å; K477-W526 HydrophobicContact CG-CD2 3.86Å; K477-W526 HydrophobicContact CG-CE3 4.03Å; K477-W526 HydrophobicContact CG-CG 3.91Å; N499-W526 HydrophobicContact CB-CB 4.27Å
527	F	88.3	Confident	86.5	Confident	1 Å²	1	56.7 Å²	56.7	0%	0.004	29%	0.289	C	S	.	.			trans	-67.7	132.7	172.8	-60.9	-81.9	0	0	0	111	A423 N475 N499 L501 L518 K521 D531	A423-F527 HydrophobicContact CB-CE1 4.21Å; A423-F527 HydrophobicContact CB-CZ 4.04Å; N475-F527 PolarHBondContact ND2-O 3.25Å; N499-F527 WeakPolarHBondContact OD1-CE2 3.49Å; L501-F527 HydrophobicContact CB-CB 4.16Å; L501-F527 HydrophobicContact CB-CD1 4.16Å; L501-F527 HydrophobicContact CB-CD2 3.52Å; L501-F527 HydrophobicContact CB-CE1 4.47Å; L501-F527 HydrophobicContact CB-CE2 3.88Å; L501-F527 HydrophobicContact CB-CG 3.68Å; L501-F527 HydrophobicContact CB-CZ 4.34Å; L501-F527 HydrophobicContact CD2-CB 4.14Å; L501-F527 HydrophobicContact CD2-CD1 4.04Å; L501-F527 HydrophobicContact CD2-CG 4.07Å; L501-F527 HydrophobicContact CG-CG 4.45Å; L518-F527 HydrophobicContact CB-CE1 4.29Å; L518-F527 HydrophobicContact CB-CZ 3.93Å; K521-F527 HydrophobicContact CB-CD1 4.49Å; K521-F527 HydrophobicContact CB-CE1 4.3Å; K521-F527 HydrophobicContact CB-CZ 4.32Å; K521-F527 HydrophobicContact CD-CD1 3.83Å; K521-F527 HydrophobicContact CD-CE1 3.85Å; F527-D531 VanDerWaalsContact CA-OD2 3.3Å; F527-D531 WeakPolarHBondContact CA-OD2 3.4Å; F527-D531 HydrophobicContact CB-CB 4.04Å; F527-D531 HydrophobicContact CD1-CB 4.07Å
528	N	83.4	Confident	86.4	Confident	77 Å²	77	55.4 Å²	55.4	41%	0.412	28%	0.284	S	S	.	.			trans	-93.4	178.9	179.7	66.1	34.6	0	0	0	111.2	F530 D531 E532	N528-F530 PolarHBondContact O-N 2.79Å; N528-F530 WeakPolarHBondContact OD1-CA 3.26Å; N528-F530 VanDerWaalsContact OD1-CB 3.25Å; N528-F530 WeakPolarHBondContact OD1-CB 3.44Å; N528-F530 PolarHBondContact OD1-N 3.16Å; N528-D531 PolarHBondContact N-OD2 2.99Å; N528-D531 WeakPolarHBondContact O-CB 3.46Å; N528-D531 PolarHBondContact O-N 3.26Å; N528-D531 PolarHBondContact OD1-N 3.4Å; N528-D531 PolarHBondContact OD1-OD2 3.45Å; N528-E532 PolarHBondContact O-N 3.46Å
529	R	81.3	Confident	86.4	Confident	195 Å²	195	55.8 Å²	55.8	74%	0.736	29%	0.287	S	S	*	.	H	α-helix	trans	-63.5	-31.4	178.4	-77.6	-169.2	178.1	168.8	-0.9	113.4	D531 E532 D533	R529-D531 VanDerWaalsContact C-N 3.32Å; R529-E532 WeakPolarHBondContact O-CB 3.45Å; R529-E532 PolarHBondContact O-N 3.35Å; R529-D533 PolarHBondContact O-N 3.34Å
530	F	81.6	Confident	86.3	Confident	88 Å²	88	60 Å²	60	39%	0.386	31%	0.308	S	S	.	.	H	α-helix	trans	-65.6	-39.3	176.1	173.9	-91.6	0	0	0	111	E388 N528 E532 D533 L534	E388-F530 HydrophobicContact CB-CZ 4.49Å; E388-F530 HydrophobicContact CG-CZ 3.99Å; E388-F530 WeakPolarHBondContact OE2-CE2 2.74Å; E388-F530 WeakPolarHBondContact OE2-CZ 3.11Å; N528-F530 PolarHBondContact O-N 2.79Å; N528-F530 WeakPolarHBondContact OD1-CA 3.26Å; N528-F530 VanDerWaalsContact OD1-CB 3.25Å; N528-F530 WeakPolarHBondContact OD1-CB 3.44Å; N528-F530 PolarHBondContact OD1-N 3.16Å; F530-E532 VanDerWaalsContact C-N 3.3Å; F530-E532 PolarHBondContact O-N 2.88Å; F530-D533 PolarHBondContact O-N 3Å; F530-L534 HydrophobicContact CE1-CD2 4.34Å; F530-L534 VanDerWaalsContact O-CB 3.27Å; F530-L534 WeakPolarHBondContact O-CB 3.37Å; F530-L534 PolarHBondContact O-N 3.48Å
531	D	86.4	Confident	86.2	Confident	5 Å²	5	63.2 Å²	63.2	3%	0.027	32%	0.32	C	S	.	.	H	α-helix	trans	-62.4	-37	173	-60.5	-51.3	0	0	0	111.6	L501 K521 F527 N528 R529 A535	L501-D531 HydrophobicContact CD2-CB 4.2Å; K521-D531 IonicContact NZ-OD1 3.71Å; K521-D531 PolarHBondContact NZ-OD1 3.1Å; K521-D531 IonicContact NZ-OD2 3.28Å; K521-D531 PolarHBondContact NZ-OD2 3.34Å; F527-D531 VanDerWaalsContact CA-OD2 3.3Å; F527-D531 WeakPolarHBondContact CA-OD2 3.4Å; F527-D531 HydrophobicContact CB-CB 4.04Å; F527-D531 HydrophobicContact CD1-CB 4.07Å; N528-D531 PolarHBondContact N-OD2 2.99Å; N528-D531 WeakPolarHBondContact O-CB 3.46Å; N528-D531 PolarHBondContact O-N 3.26Å; N528-D531 PolarHBondContact OD1-N 3.4Å; N528-D531 PolarHBondContact OD1-OD2 3.45Å; R529-D531 VanDerWaalsContact C-N 3.32Å; D531-A535 VanDerWaalsContact O-CB 3.23Å; D531-A535 WeakPolarHBondContact O-CB 3.25Å; D531-A535 PolarHBondContact O-N 3.41Å
532	E	87.3	Confident	86.2	Confident	51 Å²	51	62.6 Å²	62.6	24%	0.238	32%	0.317	C	S	.	.	H	α-helix	trans	-64.8	-46.3	174.6	-69.2	172	-165.3	0	0	112.2	I473 N475 L501 N528 R529 F530 A535 T536	I473-E532 HydrophobicContact CD1-CB 4.07Å; I473-E532 HydrophobicContact CD1-CG 4.25Å; N475-E532 HydrophobicContact CB-CG 4.34Å; N475-E532 WeakPolarHBondContact CB-OE1 3.43Å; N475-E532 PolarHBondContact ND2-OE1 2.82Å; L501-E532 HydrophobicContact CD1-CG 3.9Å; N528-E532 PolarHBondContact O-N 3.46Å; R529-E532 WeakPolarHBondContact O-CB 3.45Å; R529-E532 PolarHBondContact O-N 3.35Å; F530-E532 VanDerWaalsContact C-N 3.3Å; F530-E532 PolarHBondContact O-N 2.88Å; E532-A535 PolarHBondContact O-N 2.99Å; E532-T536 WeakPolarHBondContact O-CB 3.45Å; E532-T536 PolarHBondContact O-N 3.18Å; E532-T536 PolarHBondContact O-OG1 2.96Å
533	D	85.6	Confident	86.3	Confident	112 Å²	112	57.5 Å²	57.5	60%	0.599	29%	0.292	S	S	*	.	H	α-helix	trans	-64.7	-41.5	178.3	-69.5	-31.4	0	0	0	111	R529 F530 T536 A537	R529-D533 PolarHBondContact O-N 3.34Å; F530-D533 PolarHBondContact O-N 3Å; D533-T536 PolarHBondContact O-N 3.4Å; D533-A537 PolarHBondContact O-N 3.38Å
534	L	86.1	Confident	86.6	Confident	19 Å²	19	53.6 Å²	53.6	10%	0.099	27%	0.271	C	S	.	.	H	α-helix	trans	-64.6	-46.2	176.7	-172.7	68.6	0	0	0	111.7	L392 L420 F530 T536 A537 F538	L392-L534 HydrophobicContact CD1-CD1 3.86Å; L392-L534 HydrophobicContact CD2-CD1 3.67Å; L392-L534 HydrophobicContact CG-CD1 3.77Å; L420-L534 HydrophobicContact CB-CD2 3.99Å; L420-L534 HydrophobicContact CD2-CD1 4.44Å; L420-L534 HydrophobicContact CD2-CD2 4.3Å; L420-L534 WeakPolarHBondContact O-CD2 3.25Å; F530-L534 HydrophobicContact CE1-CD2 4.34Å; F530-L534 VanDerWaalsContact O-CB 3.27Å; F530-L534 WeakPolarHBondContact O-CB 3.37Å; F530-L534 PolarHBondContact O-N 3.48Å; L534-T536 VanDerWaalsContact C-N 3.27Å; L534-T536 PolarHBondContact O-N 2.97Å; L534-A537 PolarHBondContact O-N 3.18Å; L534-F538 VanDerWaalsContact O-CB 3.3Å; L534-F538 WeakPolarHBondContact O-CB 3.47Å; L534-F538 PolarHBondContact O-N 2.9Å
535	A	90	Very high	87.3	Confident	7 Å²	7	52.4 Å²	52.4	6%	0.058	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-37.9	175.7	0	0	0	0	0	111.6	I473 L501 F503 D531 E532 F538 S539	I473-A535 HydrophobicContact CD1-CB 4.28Å; L501-A535 HydrophobicContact CD2-CB 4.09Å; F503-A535 HydrophobicContact CD1-CB 3.77Å; F503-A535 HydrophobicContact CE1-CB 3.98Å; F503-A535 HydrophobicContact CG-CB 4.13Å; F503-A535 HydrophobicContact CZ-CB 4.49Å; D531-A535 VanDerWaalsContact O-CB 3.23Å; D531-A535 WeakPolarHBondContact O-CB 3.25Å; D531-A535 PolarHBondContact O-N 3.41Å; E532-A535 PolarHBondContact O-N 2.99Å; A535-F538 PolarHBondContact O-N 3.04Å; A535-S539 VanDerWaalsContact O-CB 3.27Å; A535-S539 WeakPolarHBondContact O-CB 3.4Å; A535-S539 PolarHBondContact O-N 2.88Å
536	T	89.7	Confident	87.9	Confident	71 Å²	71	48 Å²	48	44%	0.436	23%	0.23	S	C	.	.	H	α-helix	trans	-65.5	-45.8	175.8	-57.5	0	0	0	0	111.4	E532 D533 L534 S539 I540	E532-T536 WeakPolarHBondContact O-CB 3.45Å; E532-T536 PolarHBondContact O-N 3.18Å; E532-T536 PolarHBondContact O-OG1 2.96Å; D533-T536 PolarHBondContact O-N 3.4Å; L534-T536 VanDerWaalsContact C-N 3.27Å; L534-T536 PolarHBondContact O-N 2.97Å; T536-S539 WeakPolarHBondContact O-CB 3.49Å; T536-S539 PolarHBondContact O-N 3.38Å; T536-I540 PolarHBondContact O-N 3.37Å
537	A	88.9	Confident	87.9	Confident	28 Å²	28	44 Å²	44	23%	0.231	22%	0.222	C	C	.	.	H	α-helix	trans	-63.3	-43.5	176.8	0	0	0	0	0	111.8	L392 D533 L534 I540 Y541	L392-A537 HydrophobicContact CD1-CB 4.24Å; D533-A537 PolarHBondContact O-N 3.38Å; L534-A537 PolarHBondContact O-N 3.18Å; A537-I540 PolarHBondContact O-N 3.43Å; A537-Y541 WeakPolarHBondContact O-CD2 3.22Å
538	F	90.1	Very high	87.7	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.018	24%	0.242	C	C	.	.	H	α-helix	trans	-63.8	-40.3	177.1	177.8	-109.4	0	0	0	112.3	L392 V395 L399 I413 E416 A417 L420 F503 L534 A535 I540 Y541 C542	L392-F538 HydrophobicContact CD2-CB 4.49Å; V395-F538 HydrophobicContact CG1-CD2 3.72Å; V395-F538 HydrophobicContact CG1-CE2 3.3Å; V395-F538 HydrophobicContact CG1-CZ 4.43Å; L399-F538 HydrophobicContact CD1-CE2 3.82Å; L399-F538 HydrophobicContact CD1-CZ 4.32Å; I413-F538 HydrophobicContact CB-CZ 4.46Å; I413-F538 HydrophobicContact CG2-CE1 3.97Å; I413-F538 HydrophobicContact CG2-CZ 3.94Å; E416-F538 HydrophobicContact CB-CE2 4.25Å; E416-F538 HydrophobicContact CB-CZ 4.31Å; A417-F538 HydrophobicContact CB-CD1 4.25Å; A417-F538 HydrophobicContact CB-CE1 3.53Å; A417-F538 HydrophobicContact CB-CZ 4.05Å; L420-F538 HydrophobicContact CD1-CB 4.43Å; L420-F538 HydrophobicContact CD1-CD2 3.65Å; L420-F538 HydrophobicContact CD1-CE2 4.12Å; L420-F538 HydrophobicContact CD1-CG 4.07Å; F503-F538 HydrophobicContact CE2-CD1 4.35Å; F503-F538 HydrophobicContact CZ-CD1 4.04Å; F503-F538 HydrophobicContact CZ-CE1 4.42Å; L534-F538 VanDerWaalsContact O-CB 3.3Å; L534-F538 WeakPolarHBondContact O-CB 3.47Å; L534-F538 PolarHBondContact O-N 2.9Å; A535-F538 PolarHBondContact O-N 3.04Å; F538-I540 PolarHBondContact O-N 3.41Å; F538-Y541 PolarHBondContact O-N 2.98Å; F538-C542 WeakPolarHBondContact CE1-SG 3.41Å; F538-C542 WeakPolarHBondContact CZ-SG 3.4Å; F538-C542 PolarHBondContact O-N 3.1Å; F538-C542 VanDerWaalsContact O-N 3.08Å; F538-C542 PolarHBondContact O-SG 2.94Å; F538-C542 VanDerWaalsContact O-SG 3.41Å
539	S	92.1	Very high	87.9	Confident	11 Å²	11	44.7 Å²	44.7	8%	0.077	22%	0.222	C	C	.	.	H	α-helix	trans	-55.6	-35.4	177.5	179.4	0	0	0	0	113.5	P504 I505 A535 T536 Y541 C542 G543	P504-S539 PolarHBondContact O-OG 2.88Å; I505-S539 WeakPolarHBondContact CA-OG 3.43Å; A535-S539 VanDerWaalsContact O-CB 3.27Å; A535-S539 WeakPolarHBondContact O-CB 3.4Å; A535-S539 PolarHBondContact O-N 2.88Å; T536-S539 WeakPolarHBondContact O-CB 3.49Å; T536-S539 PolarHBondContact O-N 3.38Å; S539-Y541 VanDerWaalsContact C-N 3.34Å; S539-Y541 PolarHBondContact O-N 3.36Å; S539-C542 PolarHBondContact O-N 3.11Å; S539-G543 PolarHBondContact O-N 2.96Å
540	I	89.8	Confident	88	Confident	101 Å²	101	38.6 Å²	38.6	52%	0.518	20%	0.204	S	C	.	.	H	α-helix	trans	-61	-45.4	176.8	-62.3	168	0	0	0	110.4	T536 A537 F538 G543 I544	T536-I540 PolarHBondContact O-N 3.37Å; A537-I540 PolarHBondContact O-N 3.43Å; F538-I540 PolarHBondContact O-N 3.41Å; I540-G543 PolarHBondContact O-N 2.93Å; I540-I544 HydrophobicContact CG2-CD1 4.11Å; I540-I544 WeakPolarHBondContact O-CG1 3.3Å; I540-I544 PolarHBondContact O-N 3.43Å; I540-I544 VanDerWaalsContact O-N 3.14Å
541	Y	90.1	Very high	88	Confident	69 Å²	69	40 Å²	40	27%	0.271	21%	0.214	S	C	.	.	H	α-helix	trans	-68.4	-38.9	179	-63.6	-68.2	0	0	0	112.1	A396 F400 A537 F538 S539 G543 S545	A396-Y541 HydrophobicContact CB-CD1 3.75Å; A396-Y541 HydrophobicContact CB-CD2 4.36Å; A396-Y541 HydrophobicContact CB-CE1 3.88Å; A396-Y541 HydrophobicContact CB-CE2 4.47Å; A396-Y541 HydrophobicContact CB-CG 4.01Å; F400-Y541 HydrophobicContact CE2-CD1 4.21Å; F400-Y541 AromaticContact CZ-CD1 3.98Å; F400-Y541 HydrophobicContact CZ-CD1 3.98Å; A537-Y541 WeakPolarHBondContact O-CD2 3.22Å; F538-Y541 PolarHBondContact O-N 2.98Å; S539-Y541 VanDerWaalsContact C-N 3.34Å; S539-Y541 PolarHBondContact O-N 3.36Å; Y541-G543 VanDerWaalsContact C-N 3.34Å; Y541-S545 WeakPolarHBondContact O-CB 3.39Å; Y541-S545 PolarHBondContact O-N 3.29Å; Y541-S545 PolarHBondContact O-OG 3.34Å
542	C	91	Very high	87.8	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.7	-45.8	172.5	-62.1	0	0	0	0	111.5	I413 I505 F538 S539 I544 S545 I546	I413-C542 HydrophobicContact CD1-CB 4.03Å; I505-C542 HydrophobicContact CD1-CB 4.24Å; I505-C542 HydrophobicContact CG1-CB 4.39Å; I505-C542 HydrophobicContact CG2-CB 4.09Å; F538-C542 WeakPolarHBondContact CE1-SG 3.41Å; F538-C542 WeakPolarHBondContact CZ-SG 3.4Å; F538-C542 PolarHBondContact O-N 3.1Å; F538-C542 VanDerWaalsContact O-N 3.08Å; F538-C542 PolarHBondContact O-SG 2.94Å; F538-C542 VanDerWaalsContact O-SG 3.41Å; S539-C542 PolarHBondContact O-N 3.11Å; C542-I544 PolarHBondContact O-N 3.24Å; C542-S545 PolarHBondContact O-N 3.06Å; C542-I546 HydrophobicContact CB-CD1 4.36Å; C542-I546 VanDerWaalsContact O-CB 3.3Å; C542-I546 WeakPolarHBondContact O-CB 3.39Å; C542-I546 VanDerWaalsContact O-CG1 3.26Å; C542-I546 WeakPolarHBondContact O-CG1 3.49Å; C542-I546 PolarHBondContact O-N 2.97Å
543	G	90.6	Very high	87.6	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-57.1	-51.5	-179.5	0	0	0	0	0	112.7	K506 S539 I540 Y541 A547	K506-G543 WeakPolarHBondContact O-CA 3.25Å; S539-G543 PolarHBondContact O-N 2.96Å; I540-G543 PolarHBondContact O-N 2.93Å; Y541-G543 VanDerWaalsContact C-N 3.34Å; G543-A547 WeakPolarHBondContact O-CB 3.4Å; G543-A547 PolarHBondContact O-N 2.76Å
544	I	88.1	Confident	87.1	Confident	53 Å²	53	49.7 Å²	49.7	27%	0.272	25%	0.248	S	C	.	.	H	α-helix	trans	-61.6	-47.9	177.8	-64.1	166.8	0	0	0	110.6	F400 I540 C542 A547 H548	F400-I544 HydrophobicContact CE1-CB 4.5Å; F400-I544 HydrophobicContact CE1-CG2 4.03Å; F400-I544 HydrophobicContact CZ-CG2 4.45Å; I540-I544 HydrophobicContact CG2-CD1 4.11Å; I540-I544 WeakPolarHBondContact O-CG1 3.3Å; I540-I544 PolarHBondContact O-N 3.43Å; I540-I544 VanDerWaalsContact O-N 3.14Å; C542-I544 PolarHBondContact O-N 3.24Å; I544-A547 PolarHBondContact O-N 3.41Å; I544-H548 WeakPolarHBondContact O-CB 3.44Å; I544-H548 PolarHBondContact O-N 2.99Å
545	S	90	Very high	86.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66.1	-45.8	-174.8	-53.6	0	0	0	0	111.9	F400 L403 L409 Y541 C542 H548 S549	F400-S545 WeakPolarHBondContact CD1-OG 3.41Å; F400-S545 WeakPolarHBondContact CE1-OG 3.31Å; L403-S545 WeakPolarHBondContact CD2-O 3.4Å; L409-S545 WeakPolarHBondContact CD2-O 3.46Å; Y541-S545 WeakPolarHBondContact O-CB 3.39Å; Y541-S545 PolarHBondContact O-N 3.29Å; Y541-S545 PolarHBondContact O-OG 3.34Å; C542-S545 PolarHBondContact O-N 3.06Å; S545-H548 PolarHBondContact O-N 3.07Å; S545-S549 VanDerWaalsContact O-CB 3.31Å; S545-S549 WeakPolarHBondContact O-CB 3.39Å; S545-S549 PolarHBondContact O-N 3.29Å
546	I	89.1	Confident	85.9	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.3	-45.4	179.1	-69.7	165.8	0	0	0	110.3	L409 L410 I413 L430 I505 I513 C542 H548 S549 L550	L409-I546 HydrophobicContact CD2-CG1 4.14Å; L410-I546 HydrophobicContact CD2-CD1 4.03Å; L410-I546 HydrophobicContact CD2-CG1 4.37Å; I413-I546 HydrophobicContact CD1-CD1 3.59Å; I413-I546 HydrophobicContact CD1-CG1 3.73Å; L430-I546 HydrophobicContact CD2-CD1 4.18Å; L430-I546 HydrophobicContact CD2-CG2 3.79Å; I505-I546 HydrophobicContact CD1-CD1 4.08Å; I505-I546 HydrophobicContact CG2-CD1 4.2Å; I513-I546 HydrophobicContact CD1-CB 4.23Å; I513-I546 HydrophobicContact CD1-CG2 4.02Å; C542-I546 HydrophobicContact CB-CD1 4.36Å; C542-I546 VanDerWaalsContact O-CB 3.3Å; C542-I546 WeakPolarHBondContact O-CB 3.39Å; C542-I546 VanDerWaalsContact O-CG1 3.26Å; C542-I546 WeakPolarHBondContact O-CG1 3.49Å; C542-I546 PolarHBondContact O-N 2.97Å; I546-H548 PolarHBondContact O-N 3.24Å; I546-S549 PolarHBondContact O-N 2.72Å; I546-L550 HydrophobicContact CG2-CD1 3.73Å; I546-L550 HydrophobicContact CG2-CG 4.26Å; I546-L550 WeakPolarHBondContact O-CB 3.43Å; I546-L550 VanDerWaalsContact O-CG 3.32Å; I546-L550 WeakPolarHBondContact O-CG 3.36Å; I546-L550 PolarHBondContact O-N 3.18Å
547	A	86.4	Confident	85.1	Confident	32 Å²	32	57.1 Å²	57.1	26%	0.264	28%	0.28	S	S	.	.	H	α-helix	trans	-59.7	-46.2	179.3	0	0	0	0	0	111.7	I513 G543 I544 L551	I513-A547 HydrophobicContact CD1-CB 4.35Å; G543-A547 WeakPolarHBondContact O-CB 3.4Å; G543-A547 PolarHBondContact O-N 2.76Å; I544-A547 PolarHBondContact O-N 3.41Å; A547-L551 WeakPolarHBondContact O-CB 3.37Å; A547-L551 PolarHBondContact O-N 3.35Å
548	H	85.3	Confident	83.9	Confident	91 Å²	91	58 Å²	58	42%	0.421	29%	0.287	S	S	.	.	H	α-helix	trans	-64.8	-43.7	176.8	-78	-177.3	0	0	0	112.8	L403 I544 S545 I546 L551 Y552	L403-H548 HydrophobicContact CD2-CB 4.36Å; I544-H548 WeakPolarHBondContact O-CB 3.44Å; I544-H548 PolarHBondContact O-N 2.99Å; S545-H548 PolarHBondContact O-N 3.07Å; I546-H548 PolarHBondContact O-N 3.24Å; H548-L551 PolarHBondContact O-N 3.29Å; H548-Y552 WeakPolarHBondContact O-CB 3.47Å; H548-Y552 PolarHBondContact O-N 2.87Å
549	S	87.2	Confident	82.8	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.3	-42.7	179.9	-172.1	0	0	0	0	112.1	L403 V406 S545 I546 L551 Y552 K553	L403-S549 VanDerWaalsContact O-CA 3.27Å; L403-S549 WeakPolarHBondContact O-CA 3.1Å; L403-S549 WeakPolarHBondContact O-CB 3.49Å; L403-S549 PolarHBondContact O-OG 3.44Å; V406-S549 WeakPolarHBondContact CG2-OG 3.23Å; V406-S549 PolarHBondContact N-OG 3.38Å; S545-S549 VanDerWaalsContact O-CB 3.31Å; S545-S549 WeakPolarHBondContact O-CB 3.39Å; S545-S549 PolarHBondContact O-N 3.29Å; I546-S549 PolarHBondContact O-N 2.72Å; S549-L551 PolarHBondContact O-N 3.23Å; S549-Y552 PolarHBondContact O-N 3.41Å; S549-K553 WeakPolarHBondContact O-CB 3.41Å; S549-K553 PolarHBondContact O-N 3.47Å
550	L	83.5	Confident	81.7	Confident	67 Å²	67	69.1 Å²	69.1	35%	0.351	34%	0.336	S	S	.	.	H	α-helix	trans	-63.1	-39.7	174.6	-72.2	171.8	0	0	0	112.4	V406 I546 K554	V406-L550 HydrophobicContact CG1-CD2 4.22Å; V406-L550 HydrophobicContact CG2-CD2 3.94Å; V406-L550 HydrophobicContact CG2-CG 4.31Å; I546-L550 HydrophobicContact CG2-CD1 3.73Å; I546-L550 HydrophobicContact CG2-CG 4.26Å; I546-L550 WeakPolarHBondContact O-CB 3.43Å; I546-L550 VanDerWaalsContact O-CG 3.32Å; I546-L550 WeakPolarHBondContact O-CG 3.36Å; I546-L550 PolarHBondContact O-N 3.18Å; L550-K554 WeakPolarHBondContact O-CG 3.32Å; L550-K554 PolarHBondContact O-N 3.09Å; L550-K554 VanDerWaalsContact O-N 3.15Å
551	L	81.8	Confident	80.6	Confident	117 Å²	117	71.5 Å²	71.5	61%	0.613	34%	0.338	S	S	*	.	H	α-helix	trans	-66.8	-44	177.1	-173.1	132.1	0	0	0	111.5	A547 H548 S549 K553 K554 V555	A547-L551 WeakPolarHBondContact O-CB 3.37Å; A547-L551 PolarHBondContact O-N 3.35Å; H548-L551 PolarHBondContact O-N 3.29Å; S549-L551 PolarHBondContact O-N 3.23Å; L551-K553 PolarHBondContact O-N 3.44Å; L551-K554 PolarHBondContact O-N 2.6Å; L551-V555 WeakPolarHBondContact O-CG2 3.32Å; L551-V555 PolarHBondContact O-N 3.16Å; L551-V555 VanDerWaalsContact O-N 3.1Å
552	Y	82.1	Confident	78.9	Confident	131 Å²	131	72.2 Å²	72.2	51%	0.514	35%	0.347	S	S	.	.	H	α-helix	trans	-59.8	-46.4	176.3	-173.7	-98.3	0	0	0	111.7	H548 S549 K554 V555 H556	H548-Y552 WeakPolarHBondContact O-CB 3.47Å; H548-Y552 PolarHBondContact O-N 2.87Å; S549-Y552 PolarHBondContact O-N 3.41Å; Y552-K554 PolarHBondContact O-N 2.86Å; Y552-V555 PolarHBondContact O-N 2.69Å; Y552-H556 PolarHBondContact O-N 3.32Å
553	K	81.4	Confident	77.6	Confident	91 Å²	91	75.9 Å²	75.9	40%	0.396	37%	0.369	S	S	.	.	H	α-helix	trans	-56.8	-46.2	175.6	-176.8	174.3	177.7	171.7	0	112.3	S549 L551 V555 H556 E557	S549-K553 WeakPolarHBondContact O-CB 3.41Å; S549-K553 PolarHBondContact O-N 3.47Å; L551-K553 PolarHBondContact O-N 3.44Å; K553-V555 VanDerWaalsContact C-N 3.34Å; K553-V555 PolarHBondContact O-N 3.44Å; K553-H556 PolarHBondContact O-N 2.88Å; K553-E557 WeakPolarHBondContact CE-OE1 3.46Å; K553-E557 WeakPolarHBondContact O-CG 3.36Å; K553-E557 PolarHBondContact O-N 3.37Å
554	K	76.5	Confident	76.5	Confident	151 Å²	151	79.5 Å²	79.5	66%	0.657	39%	0.388	S	S	*	.	H	α-helix	trans	-60.4	-41	177.6	-77.8	-177.1	178.3	179.6	0	112.7	L550 L551 Y552 A558	L550-K554 WeakPolarHBondContact O-CG 3.32Å; L550-K554 PolarHBondContact O-N 3.09Å; L550-K554 VanDerWaalsContact O-N 3.15Å; L551-K554 PolarHBondContact O-N 2.6Å; Y552-K554 PolarHBondContact O-N 2.86Å; K554-A558 WeakPolarHBondContact O-CB 3.48Å; K554-A558 PolarHBondContact O-N 3.21Å; K554-A558 VanDerWaalsContact O-N 3.1Å
555	V	74.2	Confident	75.1	Confident	69 Å²	69	79.1 Å²	79.1	42%	0.418	39%	0.393	S	S	.	.	H	α-helix	trans	-65	-45.5	176.9	172.6	0	0	0	0	110.6	L551 Y552 K553 A558 Q559	L551-V555 WeakPolarHBondContact O-CG2 3.32Å; L551-V555 PolarHBondContact O-N 3.16Å; L551-V555 VanDerWaalsContact O-N 3.1Å; Y552-V555 PolarHBondContact O-N 2.69Å; K553-V555 VanDerWaalsContact C-N 3.34Å; K553-V555 PolarHBondContact O-N 3.44Å; V555-A558 PolarHBondContact O-N 3.46Å; V555-Q559 HydrophobicContact CG1-CG 4.44Å; V555-Q559 WeakPolarHBondContact O-CG 3.38Å; V555-Q559 PolarHBondContact O-N 3.11Å
556	H	75.9	Confident	73.7	Confident	104 Å²	104	83 Å²	83	48%	0.481	41%	0.414	S	S	.	.	H	α-helix	trans	-63.9	-44	-179.9	-169.1	-87.9	0	0	0	112.3	Y552 K553 A558 Q559 F560	Y552-H556 PolarHBondContact O-N 3.32Å; K553-H556 PolarHBondContact O-N 2.88Å; H556-A558 VanDerWaalsContact C-N 3.33Å; H556-A558 PolarHBondContact O-N 2.98Å; H556-Q559 PolarHBondContact O-N 3.24Å; H556-F560 WeakPolarHBondContact O-CB 3.39Å; H556-F560 PolarHBondContact O-N 2.94Å
557	E	73.4	Confident	72.5	Confident	80 Å²	80	88.2 Å²	88.2	37%	0.374	44%	0.438	S	S	.	.	H	α-helix	trans	-60.7	-40.7	174.2	-74.2	175.6	-173.2	0	0	112.3	K553 F560 R561	K553-E557 WeakPolarHBondContact CE-OE1 3.46Å; K553-E557 WeakPolarHBondContact O-CG 3.36Å; K553-E557 PolarHBondContact O-N 3.37Å; E557-F560 PolarHBondContact O-N 3.33Å; E557-R561 WeakPolarHBondContact O-CG 3.37Å; E557-R561 PolarHBondContact O-N 2.88Å
558	A	63.8	Low	71.3	Confident	45 Å²	45	92.3 Å²	92.3	37%	0.372	45%	0.453	S	S	.	.	H	α-helix	trans	-65.5	-42.1	176.2	0	0	0	0	0	112.1	K554 V555 H556 R561 N562	K554-A558 WeakPolarHBondContact O-CB 3.48Å; K554-A558 PolarHBondContact O-N 3.21Å; K554-A558 VanDerWaalsContact O-N 3.1Å; V555-A558 PolarHBondContact O-N 3.46Å; H556-A558 VanDerWaalsContact C-N 3.33Å; H556-A558 PolarHBondContact O-N 2.98Å; A558-R561 PolarHBondContact O-N 3.35Å; A558-N562 WeakPolarHBondContact O-CB 3.14Å; A558-N562 PolarHBondContact O-N 3.24Å
559	Q	66.9	Low	70.1	Confident	113 Å²	113	91.8 Å²	91.8	53%	0.528	45%	0.452	S	S	.	.	H	α-helix	trans	-63	-42.6	174.9	-75.8	177.3	-16.7	0	0	112.1	V555 H556 N562 T563	V555-Q559 HydrophobicContact CG1-CG 4.44Å; V555-Q559 WeakPolarHBondContact O-CG 3.38Å; V555-Q559 PolarHBondContact O-N 3.11Å; H556-Q559 PolarHBondContact O-N 3.24Å; Q559-N562 PolarHBondContact O-N 3.49Å; Q559-T563 PolarHBondContact O-N 3.35Å; Q559-T563 PolarHBondContact O-OG1 3.16Å
560	F	68.1	Low	69	Low	136 Å²	136	93.1 Å²	93.1	60%	0.596	46%	0.459	S	S	*	.	H	α-helix	trans	-61.4	-47.1	176.5	-177.6	-99.9	0	0	0	111.5	H556 E557 N562 T563 L564	H556-F560 WeakPolarHBondContact O-CB 3.39Å; H556-F560 PolarHBondContact O-N 2.94Å; E557-F560 PolarHBondContact O-N 3.33Å; F560-N562 VanDerWaalsContact C-N 3.31Å; F560-N562 PolarHBondContact O-N 2.89Å; F560-T563 PolarHBondContact O-N 2.95Å; F560-L564 PolarHBondContact O-N 3.33Å
561	R	66.4	Low	67.9	Low	151 Å²	151	97.2 Å²	97.2	57%	0.57	47%	0.471	S	S	*	.	H	α-helix	trans	-58.6	-41.5	174.8	-73.5	-171.3	-64.1	-108.2	-0.5	112.6	E557 A558 L564 A565	E557-R561 WeakPolarHBondContact O-CG 3.37Å; E557-R561 PolarHBondContact O-N 2.88Å; A558-R561 PolarHBondContact O-N 3.35Å; R561-L564 PolarHBondContact O-N 3.34Å; R561-A565 WeakPolarHBondContact O-CB 3.13Å; R561-A565 PolarHBondContact O-N 3.42Å
562	N	55.5	Low	67.3	Low	85 Å²	85	100.2 Å²	100.2	46%	0.455	48%	0.481	S	S	.	.	H	α-helix	trans	-66.4	-42.3	178.3	-168.5	8.1	0	0	0	111.8	A558 Q559 F560 L564 A565 N566	A558-N562 WeakPolarHBondContact O-CB 3.14Å; A558-N562 PolarHBondContact O-N 3.24Å; Q559-N562 PolarHBondContact O-N 3.49Å; F560-N562 VanDerWaalsContact C-N 3.31Å; F560-N562 PolarHBondContact O-N 2.89Å; N562-L564 VanDerWaalsContact C-N 3.35Å; N562-L564 PolarHBondContact O-N 2.95Å; N562-A565 PolarHBondContact O-N 3.36Å; N562-N566 PolarHBondContact O-N 3.05Å
563	T	63.9	Low	66.8	Low	76 Å²	76	95.3 Å²	95.3	47%	0.466	46%	0.463	S	S	.	.	H	α-helix	trans	-60.2	-46.3	176.2	-53.5	0	0	0	0	110.8	Q559 F560 A565 N566 E567	Q559-T563 PolarHBondContact O-N 3.35Å; Q559-T563 PolarHBondContact O-OG1 3.16Å; F560-T563 PolarHBondContact O-N 2.95Å; T563-A565 VanDerWaalsContact C-N 3.34Å; T563-A565 PolarHBondContact O-N 2.94Å; T563-N566 PolarHBondContact O-N 2.66Å; T563-E567 PolarHBondContact O-N 3.41Å
564	L	66.9	Low	66.4	Low	77 Å²	77	96.3 Å²	96.3	40%	0.403	47%	0.467	S	S	.	.	H	α-helix	trans	-62.1	-40.3	176.8	-173.2	67.3	0	0	0	112.4	F560 R561 N562 E567 M568	F560-L564 PolarHBondContact O-N 3.33Å; R561-L564 PolarHBondContact O-N 3.34Å; N562-L564 VanDerWaalsContact C-N 3.35Å; N562-L564 PolarHBondContact O-N 2.95Å; L564-E567 PolarHBondContact O-N 3.16Å; L564-M568 WeakPolarHBondContact O-CG 3.3Å; L564-M568 PolarHBondContact O-N 3.05Å
565	A	59.4	Low	66.8	Low	46 Å²	46	89.9 Å²	89.9	38%	0.38	44%	0.441	S	S	.	.	H	α-helix	trans	-64.2	-41.1	175.9	0	0	0	0	0	112.1	R561 N562 T563 M568 M569	R561-A565 WeakPolarHBondContact O-CB 3.13Å; R561-A565 PolarHBondContact O-N 3.42Å; N562-A565 PolarHBondContact O-N 3.36Å; T563-A565 VanDerWaalsContact C-N 3.34Å; T563-A565 PolarHBondContact O-N 2.94Å; A565-M568 PolarHBondContact O-N 3.16Å; A565-M569 PolarHBondContact O-N 3.01Å
566	N	59.4	Low	67.5	Low	81 Å²	81	89 Å²	89	43%	0.433	44%	0.438	S	S	.	.	H	α-helix	trans	-63.4	-42.6	174.3	-79.1	-24.5	0	0	0	111.8	N562 T563 M569 M570	N562-N566 PolarHBondContact O-N 3.05Å; T563-N566 PolarHBondContact O-N 2.66Å; N566-M569 PolarHBondContact O-N 3.46Å; N566-M570 VanDerWaalsContact O-CG 3.32Å; N566-M570 WeakPolarHBondContact O-CG 3.42Å; N566-M570 PolarHBondContact O-N 3.33Å; N566-M570 VanDerWaalsContact O-N 3.1Å
567	E	64.5	Low	68	Low	109 Å²	109	88.8 Å²	88.8	51%	0.509	44%	0.437	S	S	.	.	H	α-helix	trans	-58.9	-49	173	-73.5	-176	173.3	0	0	110.8	T563 L564 M569 M570 Y571	T563-E567 PolarHBondContact O-N 3.41Å; L564-E567 PolarHBondContact O-N 3.16Å; E567-M569 VanDerWaalsContact C-N 3.34Å; E567-M569 PolarHBondContact O-N 2.79Å; E567-M570 WeakPolarHBondContact O-CB 3.49Å; E567-M570 PolarHBondContact O-N 3.41Å; E567-M570 VanDerWaalsContact O-N 3.09Å; E567-Y571 VanDerWaalsContact O-CD2 3.31Å; E567-Y571 WeakPolarHBondContact O-CD2 3.47Å; E567-Y571 PolarHBondContact O-N 2.87Å
568	M	62.2	Low	68.8	Low	118 Å²	118	92.7 Å²	92.7	58%	0.581	46%	0.455	S	S	*	.	H	α-helix	trans	-58.8	-40	177.7	-76.9	-176.1	161.2	0	0	113.3	L564 A565 M570 Y571	L564-M568 WeakPolarHBondContact O-CG 3.3Å; L564-M568 PolarHBondContact O-N 3.05Å; A565-M568 PolarHBondContact O-N 3.16Å; M568-M570 VanDerWaalsContact C-N 3.34Å; M568-M570 PolarHBondContact O-N 2.91Å; M568-Y571 WeakPolarHBondContact O-CB 3.32Å; M568-Y571 PolarHBondContact O-N 3.47Å
569	M	59.8	Low	70	Confident	81 Å²	81	94.1 Å²	94.1	40%	0.399	45%	0.454	S	S	.	.	H	α-helix	trans	-61.7	-42.5	174.1	-81	-175.2	31.8	0	0	111.9	A565 N566 E567 Y571 H572	A565-M569 PolarHBondContact O-N 3.01Å; N566-M569 PolarHBondContact O-N 3.46Å; E567-M569 VanDerWaalsContact C-N 3.34Å; E567-M569 PolarHBondContact O-N 2.79Å; M569-Y571 VanDerWaalsContact C-N 3.25Å; M569-Y571 PolarHBondContact O-N 3.06Å; M569-H572 PolarHBondContact O-N 3.08Å
570	M	63.1	Low	71.2	Confident	28 Å²	28	88.7 Å²	88.7	14%	0.138	43%	0.429	C	S	.	.	H	α-helix	trans	-66.3	-26.1	177.9	-66.9	-71	152.6	0	0	112.5	N566 E567 M568 H572 M573 K574 M643 A734	N566-M570 VanDerWaalsContact O-CG 3.32Å; N566-M570 WeakPolarHBondContact O-CG 3.42Å; N566-M570 PolarHBondContact O-N 3.33Å; N566-M570 VanDerWaalsContact O-N 3.1Å; E567-M570 WeakPolarHBondContact O-CB 3.49Å; E567-M570 PolarHBondContact O-N 3.41Å; E567-M570 VanDerWaalsContact O-N 3.09Å; M568-M570 VanDerWaalsContact C-N 3.34Å; M568-M570 PolarHBondContact O-N 2.91Å; M570-H572 VanDerWaalsContact C-N 3.3Å; M570-H572 PolarHBondContact O-N 3.09Å; M570-M573 HydrophobicContact CE-SD 4.22Å; M570-M573 PolarHBondContact O-N 3.46Å; M570-M573 VanDerWaalsContact O-N 3.16Å; M570-M573 HydrophobicContact SD-SD 4.05Å; M570-K574 PolarHBondContact O-N 3.05Å; M570-M643 HydrophobicContact SD-CE 4.18Å; M570-A734 HydrophobicContact CE-CB 3.5Å; M570-A734 VanDerWaalsContact CE-CB 3.5Å; M570-A734 HydrophobicContact SD-CB 4.38Å
571	Y	60.8	Low	72.3	Confident	153 Å²	153	85.8 Å²	85.8	60%	0.6	42%	0.422	S	S	*	.	H	α-helix	trans	-60.6	-36.1	172.8	-92.8	-100.1	0	0	0	113	E567 M568 M569 M573 K574	E567-Y571 VanDerWaalsContact O-CD2 3.31Å; E567-Y571 WeakPolarHBondContact O-CD2 3.47Å; E567-Y571 PolarHBondContact O-N 2.87Å; M568-Y571 WeakPolarHBondContact O-CB 3.32Å; M568-Y571 PolarHBondContact O-N 3.47Å; M569-Y571 VanDerWaalsContact C-N 3.25Å; M569-Y571 PolarHBondContact O-N 3.06Å; Y571-M573 VanDerWaalsContact C-N 3.3Å; Y571-K574 HydrophobicContact CD1-CD 3.95Å; Y571-K574 VanDerWaalsContact CD1-CE 3.42Å; Y571-K574 HydrophobicContact CG-CD 4.32Å; Y571-K574 VanDerWaalsContact CZ-NZ 3.31Å; Y571-K574 WeakPolarHBondContact O-CB 3.26Å; Y571-K574 WeakPolarHBondContact O-CG 3.19Å; Y571-K574 PolarHBondContact O-N 2.98Å
572	H	68.2	Low	73.4	Confident	180 Å²	180	86.8 Å²	86.8	83%	0.833	43%	0.431	S	S	*	.	H	α-helix	trans	-76.1	-17.3	177.3	-71.3	-69.8	0	0	0	113.4	M569 M570	M569-H572 PolarHBondContact O-N 3.08Å; M570-H572 VanDerWaalsContact C-N 3.3Å; M570-H572 PolarHBondContact O-N 3.09Å
573	M	71.6	Confident	75	Confident	28 Å²	28	83.2 Å²	83.2	14%	0.138	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-3.9	175.5	-67.2	175.7	60.2	0	0	113.2	M570 Y571 V575 M643 G647 I735	M570-M573 HydrophobicContact CE-SD 4.22Å; M570-M573 PolarHBondContact O-N 3.46Å; M570-M573 VanDerWaalsContact O-N 3.16Å; M570-M573 HydrophobicContact SD-SD 4.05Å; Y571-M573 VanDerWaalsContact C-N 3.3Å; M573-V575 PolarHBondContact O-N 3.21Å; M573-M643 HydrophobicContact CB-CE 3.44Å; M573-M643 VanDerWaalsContact CB-CE 3.44Å; M573-M643 HydrophobicContact CB-SD 4.01Å; M573-M643 HydrophobicContact CE-CE 4.21Å; M573-G647 VanDerWaalsContact CE-CA 3.46Å; M573-I735 HydrophobicContact CE-CD1 4.16Å; M573-I735 HydrophobicContact CE-CG1 4.26Å
574	K	74.6	Confident	76.3	Confident	111 Å²	111	81.4 Å²	81.4	48%	0.483	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-54.3	126.8	-172.7	-76.2	-179.2	173.6	-167.4	0	112.7	M570 Y571 K646	M570-K574 PolarHBondContact O-N 3.05Å; Y571-K574 HydrophobicContact CD1-CD 3.95Å; Y571-K574 VanDerWaalsContact CD1-CE 3.42Å; Y571-K574 HydrophobicContact CG-CD 4.32Å; Y571-K574 VanDerWaalsContact CZ-NZ 3.31Å; Y571-K574 WeakPolarHBondContact O-CB 3.26Å; Y571-K574 WeakPolarHBondContact O-CG 3.19Å; Y571-K574 PolarHBondContact O-N 2.98Å; K574-K646 PolarHBondContact O-NZ 3.3Å
575	V	85.1	Confident	77.2	Confident	16 Å²	16	83.2 Å²	83.2	10%	0.097	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-88.1	127	169.4	-178.4	0	0	0	0	107.9	M573 E579 V580 R639 L642 M643 K646	M573-V575 PolarHBondContact O-N 3.21Å; V575-E579 WeakPolarHBondContact CA-OE2 3.39Å; V575-E579 HydrophobicContact CG1-CB 4.07Å; V575-V580 HydrophobicContact CG1-CG2 3.7Å; V575-R639 HydrophobicContact CB-CG 4.23Å; V575-R639 HydrophobicContact CG1-CG 4.43Å; V575-L642 HydrophobicContact CB-CB 4.46Å; V575-L642 HydrophobicContact CG1-CB 3.78Å; V575-L642 HydrophobicContact CG1-CD1 3.69Å; V575-L642 HydrophobicContact CG1-CG 4.4Å; V575-L642 HydrophobicContact CG2-CB 3.79Å; V575-M643 HydrophobicContact CG2-CB 4.07Å; V575-M643 HydrophobicContact CG2-SD 4.02Å; V575-K646 HydrophobicContact CG2-CD 4.19Å
576	S	87.2	Confident	77.8	Confident	51 Å²	51	85.2 Å²	85.2	36%	0.357	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-78.7	154.1	178.1	75.8	0	0	0	0	111	E578 E579 V580	S576-E578 PolarHBondContact O-N 3.46Å; S576-E579 PolarHBondContact N-OE2 3.13Å; S576-E579 PolarHBondContact O-N 3.39Å; S576-E579 VanDerWaalsContact O-N 3.16Å; S576-E579 WeakPolarHBondContact OG-CG 3.48Å; S576-E579 PolarHBondContact OG-N 2.96Å; S576-V580 PolarHBondContact O-N 3.41Å
577	E	88.1	Confident	78.9	Confident	100 Å²	100	82.8 Å²	82.8	47%	0.467	42%	0.415	S	S	.	.	H	α-helix	trans	-60.4	-29.2	175	-64	-57.3	118.7	0	0	112.3	V580 T581 H635 R639	E577-V580 PolarHBondContact O-N 3.45Å; E577-T581 WeakPolarHBondContact O-CB 3.35Å; E577-T581 PolarHBondContact O-N 3.36Å; E577-T581 PolarHBondContact O-OG1 3.48Å; E577-H635 IonicContact OE2-CE1 3.39Å; E577-H635 PolarHBondContact OE2-CE1 3.12Å; E577-H635 IonicContact OE2-NE2 3.59Å; E577-R639 IonicContact OE1-CZ 3.59Å; E577-R639 IonicContact OE1-NE 3.15Å; E577-R639 PolarHBondContact OE1-NE 3.29Å; E577-R639 IonicContact OE1-NH2 2.88Å; E577-R639 PolarHBondContact OE1-NH2 3.3Å; E577-R639 IonicContact OE2-NH2 3.41Å; E577-R639 PolarHBondContact OE2-NH2 2.81Å
578	E	89.6	Confident	79.9	Confident	161 Å²	161	80 Å²	80	75%	0.752	40%	0.403	S	S	*	.	H	α-helix	trans	-66.2	-40.8	176.4	-65	178.9	-178.9	0	0	111.8	S576 T581 K582	S576-E578 PolarHBondContact O-N 3.46Å; E578-T581 PolarHBondContact O-N 2.96Å; E578-K582 VanDerWaalsContact O-CB 3.28Å; E578-K582 WeakPolarHBondContact O-CB 3.39Å; E578-K582 PolarHBondContact O-N 3.15Å
579	E	89.6	Confident	81.1	Confident	75 Å²	75	79 Å²	79	35%	0.35	40%	0.397	S	S	.	.	H	α-helix	trans	-64.5	-42.8	176	-71.4	172.5	140.7	0	0	111.3	V575 S576 K582 L583 L642 K646	V575-E579 WeakPolarHBondContact CA-OE2 3.39Å; V575-E579 HydrophobicContact CG1-CB 4.07Å; S576-E579 PolarHBondContact N-OE2 3.13Å; S576-E579 PolarHBondContact O-N 3.39Å; S576-E579 VanDerWaalsContact O-N 3.16Å; S576-E579 WeakPolarHBondContact OG-CG 3.48Å; S576-E579 PolarHBondContact OG-N 2.96Å; E579-K582 PolarHBondContact O-N 3.11Å; E579-L583 PolarHBondContact O-N 2.93Å; E579-L583 VanDerWaalsContact O-N 3.1Å; E579-L642 HydrophobicContact CB-CD1 4.23Å; E579-K646 WeakPolarHBondContact OE1-CE 3.17Å; E579-K646 IonicContact OE1-NZ 2.92Å; E579-K646 PolarHBondContact OE1-NZ 3.41Å; E579-K646 IonicContact OE2-NZ 3.78Å; E579-K646 PolarHBondContact OE2-NZ 3.23Å
580	V	91.3	Very high	82.4	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-64.3	-45.7	176.7	-175.9	0	0	0	0	110.7	V575 S576 E577 K582 L583 L584 H635 A638 R639 L642	V575-V580 HydrophobicContact CG1-CG2 3.7Å; S576-V580 PolarHBondContact O-N 3.41Å; E577-V580 PolarHBondContact O-N 3.45Å; V580-K582 VanDerWaalsContact C-N 3.34Å; V580-K582 PolarHBondContact O-N 3.29Å; V580-L583 PolarHBondContact O-N 3.45Å; V580-L584 HydrophobicContact CG1-CD1 3.99Å; V580-L584 HydrophobicContact CG1-CG 4.49Å; V580-L584 WeakPolarHBondContact O-CG 3.49Å; V580-L584 PolarHBondContact O-N 3.02Å; V580-L584 VanDerWaalsContact O-N 3.1Å; V580-H635 WeakPolarHBondContact CG1-CE1 3.19Å; V580-A638 HydrophobicContact CG1-CB 3.8Å; V580-R639 HydrophobicContact CG2-CB 3.93Å; V580-R639 HydrophobicContact CG2-CG 4.08Å; V580-L642 HydrophobicContact CG2-CD1 4.2Å
581	T	90.9	Very high	83.7	Confident	74 Å²	74	78.4 Å²	78.4	45%	0.454	40%	0.401	S	S	.	.	H	α-helix	trans	-61.7	-44.4	178.4	-54.7	0	0	0	0	110.5	E577 E578 L583 L584 V585	E577-T581 WeakPolarHBondContact O-CB 3.35Å; E577-T581 PolarHBondContact O-N 3.36Å; E577-T581 PolarHBondContact O-OG1 3.48Å; E578-T581 PolarHBondContact O-N 2.96Å; T581-L583 VanDerWaalsContact C-N 3.29Å; T581-L583 PolarHBondContact O-N 2.91Å; T581-L584 CarbonylContact O-C 3.45Å; T581-L584 PolarHBondContact O-N 3.45Å; T581-V585 HydrophobicContact CG2-CG2 4.16Å; T581-V585 WeakPolarHBondContact O-CG2 3.31Å; T581-V585 PolarHBondContact O-N 3.2Å
582	K	89.9	Confident	85	Confident	172 Å²	172	79.2 Å²	79.2	75%	0.748	41%	0.408	S	S	*	.	H	α-helix	trans	-58.3	-40.1	177.9	-173.9	-177.3	177.7	-171	0	112.3	E578 E579 V580 L584	E578-K582 VanDerWaalsContact O-CB 3.28Å; E578-K582 WeakPolarHBondContact O-CB 3.39Å; E578-K582 PolarHBondContact O-N 3.15Å; E579-K582 PolarHBondContact O-N 3.11Å; V580-K582 VanDerWaalsContact C-N 3.34Å; V580-K582 PolarHBondContact O-N 3.29Å; K582-L584 VanDerWaalsContact C-N 3.31Å
583	L	88.9	Confident	85.9	Confident	10 Å²	10	77.7 Å²	77.7	5%	0.052	40%	0.401	C	S	.	.	H	α-helix	trans	-67.6	-29.8	175.6	178.3	58.9	0	0	0	112.6	E579 V580 T581 P614 H615 L618 A638 L642	E579-L583 PolarHBondContact O-N 2.93Å; E579-L583 VanDerWaalsContact O-N 3.1Å; V580-L583 PolarHBondContact O-N 3.45Å; T581-L583 VanDerWaalsContact C-N 3.29Å; T581-L583 PolarHBondContact O-N 2.91Å; L583-P614 HydrophobicContact CD1-CB 3.98Å; L583-P614 HydrophobicContact CD2-CB 3.98Å; L583-H615 WeakPolarHBondContact CD1-CE1 3.31Å; L583-H615 VanDerWaalsContact CD1-ND1 3.33Å; L583-H615 WeakPolarHBondContact CD1-ND1 3.24Å; L583-H615 PolarHBondContact O-NE2 3.18Å; L583-L618 HydrophobicContact CD1-CD1 4.21Å; L583-L618 HydrophobicContact CD2-CD1 4.09Å; L583-L618 HydrophobicContact CG-CD1 3.94Å; L583-A638 HydrophobicContact CD2-CB 3.92Å; L583-A638 HydrophobicContact CG-CB 4.49Å; L583-L642 HydrophobicContact CB-CD1 4.44Å; L583-L642 HydrophobicContact CD2-CD1 3.85Å; L583-L642 HydrophobicContact CD2-CD2 4.06Å; L583-L642 HydrophobicContact CD2-CG 3.77Å
584	L	90.3	Very high	86.7	Confident	39 Å²	39	78.5 Å²	78.5	20%	0.204	41%	0.405	C	S	.	.	H	α-helix	trans	-94.3	-14.8	-177	-65.8	-178.7	0	0	0	114.5	V580 T581 K582 T586 G587 L618 L634 H635 A638	V580-L584 HydrophobicContact CG1-CD1 3.99Å; V580-L584 HydrophobicContact CG1-CG 4.49Å; V580-L584 WeakPolarHBondContact O-CG 3.49Å; V580-L584 PolarHBondContact O-N 3.02Å; V580-L584 VanDerWaalsContact O-N 3.1Å; T581-L584 CarbonylContact O-C 3.45Å; T581-L584 PolarHBondContact O-N 3.45Å; K582-L584 VanDerWaalsContact C-N 3.31Å; L584-T586 VanDerWaalsContact C-N 3.28Å; L584-T586 PolarHBondContact O-N 3.1Å; L584-G587 PolarHBondContact O-N 2.66Å; L584-L618 HydrophobicContact CD2-CD1 4.18Å; L584-L634 HydrophobicContact CD1-CG 4.34Å; L584-L634 HydrophobicContact CD2-CD1 3.95Å; L584-L634 HydrophobicContact CD2-CD2 3.89Å; L584-L634 HydrophobicContact CD2-CG 3.6Å; L584-H635 HydrophobicContact CD1-CB 4.45Å; L584-A638 HydrophobicContact CD1-CB 4.12Å; L584-A638 HydrophobicContact CD2-CB 3.83Å; L584-A638 HydrophobicContact CG-CB 3.98Å
585	V	86.2	Confident	87.4	Confident	115 Å²	115	76.6 Å²	76.6	70%	0.697	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-37.3	-177.4	158.9	0	0	0	0	112.7	T581 G587	T581-V585 HydrophobicContact CG2-CG2 4.16Å; T581-V585 WeakPolarHBondContact O-CG2 3.31Å; T581-V585 PolarHBondContact O-N 3.2Å; V585-G587 VanDerWaalsContact C-N 3.27Å; V585-G587 PolarHBondContact O-N 3.08Å
586	T	73.1	Confident	87.6	Confident	87 Å²	87	81 Å²	81	53%	0.534	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-13.1	179	41	0	0	0	0	113	L584 H615	L584-T586 VanDerWaalsContact C-N 3.28Å; L584-T586 PolarHBondContact O-N 3.1Å; T586-H615 PolarHBondContact OG1-NE2 3.24Å; T586-H615 VanDerWaalsContact OG1-NE2 3.14Å
587	G	81.3	Confident	87.8	Confident	31 Å²	31	80.5 Å²	80.5	32%	0.32	42%	0.423	S	S	.	.			trans	71.6	173.7	-169.5	0	0	0	0	0	112.5	L584 V585 E589	L584-G587 PolarHBondContact O-N 2.66Å; V585-G587 VanDerWaalsContact C-N 3.27Å; V585-G587 PolarHBondContact O-N 3.08Å; G587-E589 PolarHBondContact O-N 2.96Å
588	I	86.4	Confident	88.1	Confident	51 Å²	51	75.8 Å²	75.8	26%	0.262	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-81.3	116.4	173.5	-59.9	168.6	0	0	0	108.3	L618 E622 I627 L634	I588-L618 HydrophobicContact CG1-CB 4.23Å; I588-E622 HydrophobicContact CD1-CB 4.44Å; I588-E622 HydrophobicContact CG2-CB 3.92Å; I588-E622 HydrophobicContact CG2-CG 4.32Å; I588-I627 HydrophobicContact CD1-CD1 3.72Å; I588-L634 HydrophobicContact CD1-CD1 3.44Å; I588-L634 VanDerWaalsContact CD1-CD1 3.44Å; I588-L634 HydrophobicContact CD1-CD2 4.21Å; I588-L634 HydrophobicContact CD1-CG 4.49Å; I588-L634 HydrophobicContact CG1-CD1 4.1Å
589	E	86.4	Confident	88.3	Confident	96 Å²	96	69.6 Å²	69.6	45%	0.449	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-79.5	142.1	175.6	-64.9	-176.9	146	0	0	110.6	G587 S619	G587-E589 PolarHBondContact O-N 2.96Å; E589-S619 WeakPolarHBondContact O-CB 3.48Å; E589-S619 PolarHBondContact O-OG 3.37Å
590	P	88.6	Confident	88.6	Confident	87 Å²	87	70.4 Å²	70.4	57%	0.565	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-60.7	141.4	171.1	-21	32.3	0	0	0	110.8	K592 E593	P590-K592 PolarHBondContact O-N 3.01Å; P590-E593 HydrophobicContact CB-CG 4.33Å; P590-E593 HydrophobicContact CG-CG 4.32Å; P590-E593 WeakPolarHBondContact O-CB 3.49Å; P590-E593 PolarHBondContact O-N 3.41Å
591	V	90.2	Very high	88.7	Confident	10 Å²	10	71 Å²	71	6%	0.061	38%	0.383	C	S	.	.	H	α-helix	trans	-51.9	-31.9	-178	172.6	0	0	0	0	113.8	E593 I594 F598 D623 Y667	V591-E593 VanDerWaalsContact C-N 3.3Å; V591-E593 PolarHBondContact O-N 2.87Å; V591-I594 WeakPolarHBondContact O-CB 3.42Å; V591-I594 PolarHBondContact O-N 2.75Å; V591-F598 HydrophobicContact CB-CD1 4.48Å; V591-F598 HydrophobicContact CG1-CB 3.82Å; V591-F598 HydrophobicContact CG1-CD1 3.13Å; V591-F598 HydrophobicContact CG1-CE1 3.81Å; V591-F598 HydrophobicContact CG1-CG 3.7Å; V591-D623 HydrophobicContact CG2-CB 3.78Å; V591-Y667 HydrophobicContact CG1-CE1 4.39Å
592	K	86.9	Confident	88.8	Confident	170 Å²	170	70.3 Å²	70.3	74%	0.739	38%	0.38	S	S	*	.	H	α-helix	trans	-67.9	-27.5	178.5	-65.6	-177.3	179.4	-179.8	0	114	P590 H595	P590-K592 PolarHBondContact O-N 3.01Å; K592-H595 CarbonylContact O-C 3.21Å
593	E	88.4	Confident	88.9	Confident	147 Å²	147	63.1 Å²	63.1	69%	0.687	35%	0.348	S	S	*	.	H	α-helix	trans	-78	-24.8	178	-59.9	-61.9	149.2	0	0	111.3	P590 V591	P590-E593 HydrophobicContact CB-CG 4.33Å; P590-E593 HydrophobicContact CG-CG 4.32Å; P590-E593 WeakPolarHBondContact O-CB 3.49Å; P590-E593 PolarHBondContact O-N 3.41Å; V591-E593 VanDerWaalsContact C-N 3.3Å; V591-E593 PolarHBondContact O-N 2.87Å
594	I	87.6	Confident	89.1	Confident	45 Å²	45	63.6 Å²	63.6	23%	0.231	35%	0.351	C	S	.	.	H	α-helix	trans	-65.3	-55.4	172.7	-57.2	178.1	0	0	0	109.8	V591 F598 L608	V591-I594 WeakPolarHBondContact O-CB 3.42Å; V591-I594 PolarHBondContact O-N 2.75Å; I594-F598 HydrophobicContact CB-CD2 4.28Å; I594-F598 HydrophobicContact CD1-CE2 4.41Å; I594-F598 HydrophobicContact CG2-CD2 3.77Å; I594-F598 HydrophobicContact CG2-CE2 3.92Å; I594-L608 HydrophobicContact CG2-CD2 3.92Å
595	H	89.9	Confident	89.2	Confident	72 Å²	72	61.9 Å²	61.9	33%	0.333	34%	0.342	S	S	.	.			trans	-159.7	139.6	173.9	-170.1	-92.3	0	0	0	110.4	K592 C597 F598 Y603	K592-H595 CarbonylContact O-C 3.21Å; H595-C597 VanDerWaalsContact C-N 3.26Å; H595-C597 PolarHBondContact ND1-N 3.43Å; H595-C597 VanDerWaalsContact ND1-N 3.12Å; H595-C597 PolarHBondContact O-N 2.9Å; H595-F598 HydrophobicContact CB-CB 4.19Å; H595-F598 VanDerWaalsContact O-CB 3.29Å; H595-F598 WeakPolarHBondContact O-CB 3.41Å; H595-F598 PolarHBondContact O-N 3.45Å; H595-Y603 HydrophobicContact CB-CE2 3.78Å; H595-Y603 AromaticContact CE1-CE2 3.89Å; H595-Y603 AromaticContact CG-CE2 3.45Å; H595-Y603 VanDerWaalsContact CG-CE2 3.45Å; H595-Y603 AromaticContact ND1-CD2 3.7Å; H595-Y603 AromaticContact ND1-CE2 3.34Å; H595-Y603 VanDerWaalsContact ND1-CE2 3.34Å; H595-Y603 WeakPolarHBondContact ND1-CE2 3.38Å
596	P	89.1	Confident	89.4	Confident	109 Å²	109	57.3 Å²	57.3	71%	0.708	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-38.8	-178.7	-27.3	34.7	0	0	0	114
597	C	91.4	Very high	90.1	Very high	39 Å²	39	55.7 Å²	55.7	26%	0.264	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	14.3	-179.4	-56.5	0	0	0	0	113.6	H595 A599 E600 Y603	H595-C597 VanDerWaalsContact C-N 3.26Å; H595-C597 PolarHBondContact ND1-N 3.43Å; H595-C597 VanDerWaalsContact ND1-N 3.12Å; H595-C597 PolarHBondContact O-N 2.9Å; C597-A599 PolarHBondContact O-N 3.04Å; C597-E600 HydrophobicContact CB-CB 4.33Å; C597-E600 HydrophobicContact CB-CG 4.15Å; C597-E600 WeakPolarHBondContact O-CB 3.44Å; C597-E600 PolarHBondContact O-N 3.06Å; C597-E600 PolarHBondContact SG-OE1 3.26Å; C597-E600 VanDerWaalsContact SG-OE1 3.36Å; C597-Y603 WeakPolarHBondContact O-CB 3.4Å
598	F	94	Very high	90.5	Very high	1 Å²	1	54.6 Å²	54.6	0%	0.004	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-29.4	-174.1	-172.9	-86.3	0	0	0	113.6	V591 I594 H595 Y603 L608 M620 H664 Y667 L668	V591-F598 HydrophobicContact CB-CD1 4.48Å; V591-F598 HydrophobicContact CG1-CB 3.82Å; V591-F598 HydrophobicContact CG1-CD1 3.13Å; V591-F598 HydrophobicContact CG1-CE1 3.81Å; V591-F598 HydrophobicContact CG1-CG 3.7Å; I594-F598 HydrophobicContact CB-CD2 4.28Å; I594-F598 HydrophobicContact CD1-CE2 4.41Å; I594-F598 HydrophobicContact CG2-CD2 3.77Å; I594-F598 HydrophobicContact CG2-CE2 3.92Å; H595-F598 HydrophobicContact CB-CB 4.19Å; H595-F598 VanDerWaalsContact O-CB 3.29Å; H595-F598 WeakPolarHBondContact O-CB 3.41Å; H595-F598 PolarHBondContact O-N 3.45Å; F598-Y603 HydrophobicContact CD2-CD1 4.2Å; F598-Y603 AromaticContact CD2-CE1 3.55Å; F598-Y603 HydrophobicContact CD2-CE1 3.55Å; F598-Y603 AromaticContact CD2-CZ 3.94Å; F598-Y603 HydrophobicContact CE2-CE1 4Å; F598-Y603 HydrophobicContact CG-CE1 4.32Å; F598-L608 HydrophobicContact CE2-CD1 4.17Å; F598-L608 HydrophobicContact CE2-CD2 4.21Å; F598-M620 HydrophobicContact CE1-CG 3.88Å; F598-M620 HydrophobicContact CE1-SD 4.05Å; F598-M620 HydrophobicContact CZ-CG 4.31Å; F598-M620 HydrophobicContact CZ-SD 4.24Å; F598-H664 AromaticContact CD1-NE2 3.64Å; F598-H664 AromaticContact CE1-CD2 3.41Å; F598-H664 VanDerWaalsContact CE1-CD2 3.41Å; F598-H664 WeakPolarHBondContact CE1-CD2 3.34Å; F598-H664 AromaticContact CE1-NE2 3.54Å; F598-H664 AromaticContact CE2-CD2 3.99Å; F598-H664 AromaticContact CZ-CD2 3.4Å; F598-H664 WeakPolarHBondContact CZ-CD2 3.45Å; F598-H664 AromaticContact CZ-NE2 3.77Å; F598-H664 PolarHBondContact O-CE1 2.86Å; F598-H664 PolarHBondContact O-NE2 3.21Å; F598-Y667 HydrophobicContact CD1-CD1 4.49Å; F598-Y667 AromaticContact CD1-CE1 3.98Å; F598-Y667 HydrophobicContact CD1-CE1 3.98Å; F598-Y667 HydrophobicContact CE1-CD1 4.21Å; F598-Y667 HydrophobicContact CE1-CE1 4.04Å; F598-L668 WeakPolarHBondContact O-CD2 3.4Å
599	A	94.5	Very high	90.7	Very high	32 Å²	32	55.1 Å²	55.1	26%	0.264	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	6.1	179.7	0	0	0	0	0	114.2	C597 Y667 L668 N672	C597-A599 PolarHBondContact O-N 3.04Å; A599-Y667 HydrophobicContact CB-CE1 4.08Å; A599-L668 WeakPolarHBondContact O-CD2 3.28Å; A599-N672 PolarHBondContact O-ND2 3.12Å
600	E	94.6	Very high	90.8	Very high	91 Å²	91	53.8 Å²	53.8	43%	0.425	29%	0.294	S	S	.	.	S	Bend	trans	-92.4	146.9	178.1	-62.7	178.8	-159.4	0	0	111.5	C597 T602 Y603	C597-E600 HydrophobicContact CB-CB 4.33Å; C597-E600 HydrophobicContact CB-CG 4.15Å; C597-E600 WeakPolarHBondContact O-CB 3.44Å; C597-E600 PolarHBondContact O-N 3.06Å; C597-E600 PolarHBondContact SG-OE1 3.26Å; C597-E600 VanDerWaalsContact SG-OE1 3.36Å; E600-T602 PolarHBondContact O-N 3.25Å; E600-T602 VanDerWaalsContact O-N 3.15Å; E600-Y603 WeakPolarHBondContact O-CB 3.29Å; E600-Y603 PolarHBondContact O-N 2.95Å; E600-Y603 VanDerWaalsContact O-N 3.08Å
601	F	94.7	Very high	90.7	Very high	12 Å²	12	56.1 Å²	56.1	5%	0.053	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.8	178.9	-74.8	-51.4	0	0	0	114.1	Y603 F665 L668 L669 N672 L673 K812 L882	F601-Y603 PolarHBondContact O-N 2.96Å; F601-F665 HydrophobicContact CD1-CE2 4.24Å; F601-L668 HydrophobicContact CD1-CB 3.89Å; F601-L668 HydrophobicContact CD1-CD1 4.13Å; F601-L668 HydrophobicContact CE1-CB 3.83Å; F601-L669 HydrophobicContact CE1-CD2 4.03Å; F601-L669 HydrophobicContact CZ-CD2 4.27Å; F601-N672 HydrophobicContact CD2-CB 4.39Å; F601-N672 HydrophobicContact CE1-CB 4.28Å; F601-N672 HydrophobicContact CE2-CB 3.55Å; F601-N672 HydrophobicContact CZ-CB 3.49Å; F601-N672 VanDerWaalsContact CZ-CB 3.49Å; F601-L673 HydrophobicContact CE2-CD2 4.47Å; F601-L673 HydrophobicContact CZ-CD2 4.13Å; F601-L673 HydrophobicContact CZ-CG 4.39Å; F601-K812 PolarHBondContact O-NZ 2.72Å; F601-L882 HydrophobicContact CB-CD2 3.94Å; F601-L882 HydrophobicContact CD1-CD1 4.41Å; F601-L882 HydrophobicContact CD1-CD2 3.71Å; F601-L882 HydrophobicContact CD1-CG 4.43Å; F601-L882 HydrophobicContact CD2-CD2 4.21Å; F601-L882 HydrophobicContact CD2-CG 4.48Å; F601-L882 HydrophobicContact CE1-CD1 4.05Å; F601-L882 HydrophobicContact CE1-CD2 4.21Å; F601-L882 HydrophobicContact CG-CD2 3.71Å; F601-L882 HydrophobicContact CG-CG 4.43Å; F601-L882 HydrophobicContact CZ-CD1 4.12Å
602	T	91.6	Very high	90.8	Very high	61 Å²	61	58.3 Å²	58.3	37%	0.374	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-15.8	179.2	59.4	0	0	0	0	113.6	E600	E600-T602 PolarHBondContact O-N 3.25Å; E600-T602 VanDerWaalsContact O-N 3.15Å
603	Y	93.8	Very high	91.1	Very high	20 Å²	20	50.2 Å²	50.2	8%	0.078	28%	0.28	C	S	.	.			trans	-68	140.7	-177.5	-167.1	-108.2	0	0	0	112.1	H595 C597 F598 E600 F601 P605 L608 H664 K812	H595-Y603 HydrophobicContact CB-CE2 3.78Å; H595-Y603 AromaticContact CE1-CE2 3.89Å; H595-Y603 AromaticContact CG-CE2 3.45Å; H595-Y603 VanDerWaalsContact CG-CE2 3.45Å; H595-Y603 AromaticContact ND1-CD2 3.7Å; H595-Y603 AromaticContact ND1-CE2 3.34Å; H595-Y603 VanDerWaalsContact ND1-CE2 3.34Å; H595-Y603 WeakPolarHBondContact ND1-CE2 3.38Å; C597-Y603 WeakPolarHBondContact O-CB 3.4Å; F598-Y603 HydrophobicContact CD2-CD1 4.2Å; F598-Y603 AromaticContact CD2-CE1 3.55Å; F598-Y603 HydrophobicContact CD2-CE1 3.55Å; F598-Y603 AromaticContact CD2-CZ 3.94Å; F598-Y603 HydrophobicContact CE2-CE1 4Å; F598-Y603 HydrophobicContact CG-CE1 4.32Å; E600-Y603 WeakPolarHBondContact O-CB 3.29Å; E600-Y603 PolarHBondContact O-N 2.95Å; E600-Y603 VanDerWaalsContact O-N 3.08Å; F601-Y603 PolarHBondContact O-N 2.96Å; Y603-P605 VanDerWaalsContact O-CD 3.27Å; Y603-P605 WeakPolarHBondContact O-CD 3.32Å; Y603-L608 HydrophobicContact CE1-CD1 3.5Å; Y603-L608 VanDerWaalsContact CE1-CD1 3.5Å; Y603-L608 WeakPolarHBondContact OH-CD1 3.46Å; Y603-H664 AromaticContact CD1-CE1 3.56Å; Y603-H664 AromaticContact CD1-NE2 3.74Å; Y603-K812 WeakPolarHBondContact O-CE 3.43Å; Y603-K812 PolarHBondContact O-NZ 3.4Å
604	T	92.6	Very high	91.4	Very high	21 Å²	21	43.4 Å²	43.4	13%	0.129	25%	0.249	C	C	.	.			trans	-105.3	97.1	179.7	-58.6	0	0	0	0	109.4	R606 S607 T816	T604-R606 HydrophobicContact CG2-CB 4.34Å; T604-R606 PolarHBondContact O-N 3.16Å; T604-R606 VanDerWaalsContact O-N 3.1Å; T604-S607 WeakPolarHBondContact O-CB 3.33Å; T604-S607 PolarHBondContact O-N 3.27Å; T604-S607 PolarHBondContact O-OG 2.8Å; T604-T816 HydrophobicContact CG2-CG2 3.69Å
605	P	91.1	Very high	91.6	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.013	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-58.7	-28.3	-176.4	19.9	-31.7	0	0	0	113.6	Y603 S607 L608 F660 H664	Y603-P605 VanDerWaalsContact O-CD 3.27Å; Y603-P605 WeakPolarHBondContact O-CD 3.32Å; P605-S607 PolarHBondContact O-N 3.35Å; P605-S607 VanDerWaalsContact O-N 3.15Å; P605-L608 WeakPolarHBondContact O-CD1 3.16Å; P605-L608 PolarHBondContact O-N 2.89Å; P605-L608 VanDerWaalsContact O-N 3.16Å; P605-F660 HydrophobicContact CB-CD1 4.14Å; P605-F660 HydrophobicContact CB-CE1 3.83Å; P605-H664 HydrophobicContact CB-CB 3.93Å; P605-H664 HydrophobicContact CG-CB 4.31Å
606	R	90.3	Very high	91.9	Very high	20 Å²	20	40 Å²	40	8%	0.075	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-66.4	-8.2	175.3	-61.2	-175.6	-173.9	-100.2	3.6	114.4	T604 L608 Y653 M657 S661 D809 L934	T604-R606 HydrophobicContact CG2-CB 4.34Å; T604-R606 PolarHBondContact O-N 3.16Å; T604-R606 VanDerWaalsContact O-N 3.1Å; R606-L608 VanDerWaalsContact C-N 3.32Å; R606-Y653 VanDerWaalsContact NH2-CE2 3.28Å; R606-M657 HydrophobicContact CB-CE 4.49Å; R606-S661 WeakPolarHBondContact CG-OG 3.44Å; R606-D809 IonicContact CZ-OD2 3.87Å; R606-D809 IonicContact NE-OD1 3.55Å; R606-D809 IonicContact NE-OD2 2.72Å; R606-D809 PolarHBondContact NE-OD2 3.37Å; R606-D809 IonicContact NH2-OD2 3.54Å; R606-D809 PolarHBondContact NH2-OD2 2.6Å; R606-L934 HydrophobicContact CB-CD2 4.4Å
607	S	88.8	Confident	92.2	Very high	52 Å²	52	34.8 Å²	34.8	36%	0.364	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-78	-17.2	172.7	72.4	0	0	0	0	113	T604 P605	T604-S607 WeakPolarHBondContact O-CB 3.33Å; T604-S607 PolarHBondContact O-N 3.27Å; T604-S607 PolarHBondContact O-OG 2.8Å; P605-S607 PolarHBondContact O-N 3.35Å; P605-S607 VanDerWaalsContact O-N 3.15Å
608	L	90.6	Very high	92.4	Very high	8 Å²	8	33 Å²	33	4%	0.042	19%	0.186	C	C	.	.	S	Bend	trans	-71.1	140.1	175.3	-81.9	88.2	0	0	0	110.8	I594 F598 Y603 P605 R606 T613 F660	I594-L608 HydrophobicContact CG2-CD2 3.92Å; F598-L608 HydrophobicContact CE2-CD1 4.17Å; F598-L608 HydrophobicContact CE2-CD2 4.21Å; Y603-L608 HydrophobicContact CE1-CD1 3.5Å; Y603-L608 VanDerWaalsContact CE1-CD1 3.5Å; Y603-L608 WeakPolarHBondContact OH-CD1 3.46Å; P605-L608 WeakPolarHBondContact O-CD1 3.16Å; P605-L608 PolarHBondContact O-N 2.89Å; P605-L608 VanDerWaalsContact O-N 3.16Å; R606-L608 VanDerWaalsContact C-N 3.32Å; L608-T613 HydrophobicContact CB-CG2 4.27Å; L608-F660 HydrophobicContact CD1-CE1 4.41Å; L608-F660 HydrophobicContact CD2-CZ 4.2Å
609	P	90.7	Very high	92.5	Very high	63 Å²	63	33.1 Å²	33.1	41%	0.409	19%	0.187	S	C	.	.			trans	-59.1	139.8	167.7	-21.7	32	0	0	0	112.4	D611 T612 T613	P609-D611 PolarHBondContact O-N 3.23Å; P609-D611 VanDerWaalsContact O-N 3.17Å; P609-T612 HydrophobicContact CB-CG2 4.25Å; P609-T612 WeakPolarHBondContact CD-OG1 3.3Å; P609-T612 HydrophobicContact CG-CG2 4.45Å; P609-T612 PolarHBondContact O-N 3.44Å; P609-T612 PolarHBondContact O-OG1 2.7Å; P609-T613 PolarHBondContact O-N 2.68Å
610	D	87.8	Confident	92.7	Very high	67 Å²	67	31.6 Å²	31.6	36%	0.358	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-35.5	-174.7	-171.5	44.5	0	0	0	113.5	T612 T613 K645 W656 M657	D610-T612 VanDerWaalsContact C-N 3.28Å; D610-T612 PolarHBondContact O-N 3.32Å; D610-T613 PolarHBondContact O-N 3.34Å; D610-T613 PolarHBondContact O-OG1 3.15Å; D610-K645 PolarHBondContact O-NZ 3.4Å; D610-K645 VanDerWaalsContact O-NZ 3.13Å; D610-K645 IonicContact OD1-NZ 2.68Å; D610-K645 PolarHBondContact OD1-NZ 3.03Å; D610-K645 IonicContact OD2-NZ 2.75Å; D610-K645 PolarHBondContact OD2-NZ 2.73Å; D610-W656 VanDerWaalsContact OD1-CD1 3.22Å; D610-M657 HydrophobicContact CB-SD 4.39Å; D610-M657 VanDerWaalsContact OD1-SD 3.4Å
611	D	87.1	Confident	92.8	Very high	137 Å²	137	27.3 Å²	27.3	73%	0.733	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-24.5	176.6	-70.9	-22.1	0	0	0	113.8	P609 P614	P609-D611 PolarHBondContact O-N 3.23Å; P609-D611 VanDerWaalsContact O-N 3.17Å; D611-P614 WeakPolarHBondContact O-CD 3.48Å
612	T	90.6	Very high	92.8	Very high	55 Å²	55	30.1 Å²	30.1	34%	0.337	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-16.3	-178.4	65.2	0	0	0	0	112.8	P609 D610 P614 H615 G616	P609-T612 HydrophobicContact CB-CG2 4.25Å; P609-T612 WeakPolarHBondContact CD-OG1 3.3Å; P609-T612 HydrophobicContact CG-CG2 4.45Å; P609-T612 PolarHBondContact O-N 3.44Å; P609-T612 PolarHBondContact O-OG1 2.7Å; D610-T612 VanDerWaalsContact C-N 3.28Å; D610-T612 PolarHBondContact O-N 3.32Å; T612-P614 VanDerWaalsContact C-CD 3.46Å; T612-H615 WeakPolarHBondContact O-CA 3.35Å; T612-H615 WeakPolarHBondContact O-CB 3.13Å; T612-H615 PolarHBondContact O-N 3.41Å; T612-G616 PolarHBondContact O-N 2.97Å
613	T	94.5	Very high	93	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.4	-36.3	-179.2	59.3	0	0	0	0	114.3	L608 P609 D610 H615 G616 V617 W656 M657 F660	L608-T613 HydrophobicContact CB-CG2 4.27Å; P609-T613 PolarHBondContact O-N 2.68Å; D610-T613 PolarHBondContact O-N 3.34Å; D610-T613 PolarHBondContact O-OG1 3.15Å; T613-H615 VanDerWaalsContact C-N 3.31Å; T613-H615 PolarHBondContact O-N 3.34Å; T613-G616 WeakPolarHBondContact O-CA 3.11Å; T613-G616 PolarHBondContact O-N 2.97Å; T613-G616 VanDerWaalsContact O-N 3.14Å; T613-V617 PolarHBondContact O-N 3.24Å; T613-W656 PolarHBondContact OG1-NE1 3.02Å; T613-M657 HydrophobicContact CG2-CE 4.08Å; T613-M657 HydrophobicContact CG2-SD 3.75Å; T613-F660 HydrophobicContact CG2-CD1 3.75Å; T613-F660 HydrophobicContact CG2-CD2 4.25Å; T613-F660 HydrophobicContact CG2-CE1 3.82Å; T613-F660 HydrophobicContact CG2-CE2 4.31Å; T613-F660 HydrophobicContact CG2-CG 3.98Å; T613-F660 HydrophobicContact CG2-CZ 4.11Å; T613-F660 WeakPolarHBondContact O-CE2 3.44Å
614	P	94.2	Very high	93.2	Very high	4 Å²	4	30 Å²	30	3%	0.026	17%	0.166	C	C	.	.	H	α-helix	trans	-63.5	-36	173.4	-22	36.4	0	0	0	112.6	L583 D611 T612 G616 V617 L618 L642 K645	L583-P614 HydrophobicContact CD1-CB 3.98Å; L583-P614 HydrophobicContact CD2-CB 3.98Å; D611-P614 WeakPolarHBondContact O-CD 3.48Å; T612-P614 VanDerWaalsContact C-CD 3.46Å; P614-G616 VanDerWaalsContact C-N 3.33Å; P614-V617 PolarHBondContact O-N 3.32Å; P614-L618 WeakPolarHBondContact O-CG 3.36Å; P614-L618 PolarHBondContact O-N 3.29Å; P614-L642 HydrophobicContact CB-CD2 4.39Å; P614-L642 HydrophobicContact CG-CD2 4.24Å; P614-K645 HydrophobicContact CG-CD 3.82Å
615	H	92.5	Very high	93.3	Very high	44 Å²	44	30.1 Å²	30.1	20%	0.204	17%	0.171	C	C	.	.	H	α-helix	trans	-64.5	-40.4	173.3	-65.4	88.1	0	0	0	111.1	L583 T586 T612 T613 V617 L618 S619	L583-H615 WeakPolarHBondContact CD1-CE1 3.31Å; L583-H615 VanDerWaalsContact CD1-ND1 3.33Å; L583-H615 WeakPolarHBondContact CD1-ND1 3.24Å; L583-H615 PolarHBondContact O-NE2 3.18Å; T586-H615 PolarHBondContact OG1-NE2 3.24Å; T586-H615 VanDerWaalsContact OG1-NE2 3.14Å; T612-H615 WeakPolarHBondContact O-CA 3.35Å; T612-H615 WeakPolarHBondContact O-CB 3.13Å; T612-H615 PolarHBondContact O-N 3.41Å; T613-H615 VanDerWaalsContact C-N 3.31Å; T613-H615 PolarHBondContact O-N 3.34Å; H615-V617 VanDerWaalsContact C-N 3.28Å; H615-V617 PolarHBondContact O-N 3.03Å; H615-L618 PolarHBondContact O-N 3.06Å; H615-S619 WeakPolarHBondContact O-CB 3.43Å; H615-S619 PolarHBondContact O-N 3.39Å; H615-S619 PolarHBondContact O-OG 3.25Å
616	G	94.4	Very high	93.5	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-56.7	-42.3	173.1	0	0	0	0	0	112.3	T612 T613 P614 S619 M620	T612-G616 PolarHBondContact O-N 2.97Å; T613-G616 WeakPolarHBondContact O-CA 3.11Å; T613-G616 PolarHBondContact O-N 2.97Å; T613-G616 VanDerWaalsContact O-N 3.14Å; P614-G616 VanDerWaalsContact C-N 3.33Å; G616-S619 PolarHBondContact O-N 2.93Å; G616-M620 WeakPolarHBondContact O-CG 3.41Å; G616-M620 PolarHBondContact O-N 3.47Å
617	V	96.6	Very high	93.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.3	-49.6	175.1	176.1	0	0	0	0	111.8	T613 P614 H615 S619 M620 F621 W656 F660 F688 M692	T613-V617 PolarHBondContact O-N 3.24Å; P614-V617 PolarHBondContact O-N 3.32Å; H615-V617 VanDerWaalsContact C-N 3.28Å; H615-V617 PolarHBondContact O-N 3.03Å; V617-S619 PolarHBondContact O-N 2.8Å; V617-M620 HydrophobicContact CG2-CE 4.13Å; V617-M620 PolarHBondContact O-N 2.88Å; V617-M620 VanDerWaalsContact O-N 3.14Å; V617-F621 HydrophobicContact CG1-CD2 3.76Å; V617-F621 HydrophobicContact CG1-CE2 3.77Å; V617-F621 WeakPolarHBondContact O-CD2 3.41Å; V617-F621 PolarHBondContact O-N 2.89Å; V617-W656 HydrophobicContact CG2-CH2 4.34Å; V617-W656 HydrophobicContact CG2-CZ2 4.45Å; V617-F660 HydrophobicContact CG2-CD2 3.84Å; V617-F660 HydrophobicContact CG2-CE2 4.04Å; V617-F688 HydrophobicContact CG1-CE1 4.31Å; V617-M692 HydrophobicContact CG1-CE 3.66Å; V617-M692 HydrophobicContact CG1-SD 3.79Å
618	L	96.2	Very high	94	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-57.2	-40.3	177.6	-65	180	0	0	0	112	L583 L584 I588 P614 H615 F621 E622 L634 L637 A638	L583-L618 HydrophobicContact CD1-CD1 4.21Å; L583-L618 HydrophobicContact CD2-CD1 4.09Å; L583-L618 HydrophobicContact CG-CD1 3.94Å; L584-L618 HydrophobicContact CD2-CD1 4.18Å; I588-L618 HydrophobicContact CG1-CB 4.23Å; P614-L618 WeakPolarHBondContact O-CG 3.36Å; P614-L618 PolarHBondContact O-N 3.29Å; H615-L618 PolarHBondContact O-N 3.06Å; L618-F621 WeakPolarHBondContact O-CB 3.42Å; L618-F621 PolarHBondContact O-N 3.31Å; L618-E622 PolarHBondContact O-N 3.07Å; L618-L634 HydrophobicContact CD2-CD1 4.44Å; L618-L637 HydrophobicContact CD2-CB 4.39Å; L618-L637 HydrophobicContact CD2-CD2 3.66Å; L618-L637 HydrophobicContact CD2-CG 3.58Å; L618-A638 HydrophobicContact CD1-CB 4.48Å
619	S	95.8	Very high	94.2	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-67.3	-37.6	178.6	-51.2	0	0	0	0	112.2	E589 H615 G616 V617 E622 D623	E589-S619 WeakPolarHBondContact O-CB 3.48Å; E589-S619 PolarHBondContact O-OG 3.37Å; H615-S619 WeakPolarHBondContact O-CB 3.43Å; H615-S619 PolarHBondContact O-N 3.39Å; H615-S619 PolarHBondContact O-OG 3.25Å; G616-S619 PolarHBondContact O-N 2.93Å; V617-S619 PolarHBondContact O-N 2.8Å; S619-E622 PolarHBondContact O-N 3.18Å; S619-D623 WeakPolarHBondContact O-CB 3.38Å; S619-D623 PolarHBondContact O-N 3.31Å
620	M	97.4	Very high	94.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66	-40.6	172.6	-71.9	-174.3	-74.2	0	0	112	F598 G616 V617 E622 M624 F660 H664 Y667 F688	F598-M620 HydrophobicContact CE1-CG 3.88Å; F598-M620 HydrophobicContact CE1-SD 4.05Å; F598-M620 HydrophobicContact CZ-CG 4.31Å; F598-M620 HydrophobicContact CZ-SD 4.24Å; G616-M620 WeakPolarHBondContact O-CG 3.41Å; G616-M620 PolarHBondContact O-N 3.47Å; V617-M620 HydrophobicContact CG2-CE 4.13Å; V617-M620 PolarHBondContact O-N 2.88Å; V617-M620 VanDerWaalsContact O-N 3.14Å; M620-E622 VanDerWaalsContact C-N 3.35Å; M620-E622 PolarHBondContact O-N 3.32Å; M620-M624 HydrophobicContact CB-CE 4.27Å; M620-M624 WeakPolarHBondContact O-CB 3.25Å; M620-M624 WeakPolarHBondContact O-CE 3.39Å; M620-M624 VanDerWaalsContact O-CG 3.28Å; M620-M624 WeakPolarHBondContact O-CG 3.47Å; M620-M624 PolarHBondContact O-N 2.9Å; M620-F660 HydrophobicContact CE-CD2 4.5Å; M620-F660 HydrophobicContact CE-CE2 3.9Å; M620-H664 HydrophobicContact SD-CB 4.35Å; M620-Y667 HydrophobicContact CB-CD2 3.98Å; M620-Y667 HydrophobicContact CB-CE2 4.45Å; M620-Y667 HydrophobicContact CB-CG 4.28Å; M620-Y667 HydrophobicContact CG-CD1 4.04Å; M620-Y667 HydrophobicContact CG-CD2 3.85Å; M620-Y667 HydrophobicContact CG-CE1 4.44Å; M620-Y667 HydrophobicContact CG-CE2 4.25Å; M620-Y667 HydrophobicContact CG-CG 3.74Å; M620-Y667 WeakPolarHBondContact SD-CB 3.4Å; M620-Y667 HydrophobicContact SD-CD1 3.93Å; M620-Y667 HydrophobicContact SD-CD2 4.33Å; M620-Y667 HydrophobicContact SD-CG 3.66Å; M620-F688 HydrophobicContact CB-CE2 4.32Å; M620-F688 HydrophobicContact CB-CZ 3.83Å; M620-F688 HydrophobicContact CE-CE2 4.42Å; M620-F688 HydrophobicContact CE-CZ 3.97Å; M620-F688 HydrophobicContact SD-CE2 4.13Å; M620-F688 HydrophobicContact SD-CZ 4.13Å
621	F	97.2	Very high	94.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.3	-41.4	174.8	-95.5	-88.5	0	0	0	112.6	V617 L618 G625 F626 I627 I632 L637 L685 F688 V689 M692 I743	V617-F621 HydrophobicContact CG1-CD2 3.76Å; V617-F621 HydrophobicContact CG1-CE2 3.77Å; V617-F621 WeakPolarHBondContact O-CD2 3.41Å; V617-F621 PolarHBondContact O-N 2.89Å; L618-F621 WeakPolarHBondContact O-CB 3.42Å; L618-F621 PolarHBondContact O-N 3.31Å; F621-G625 PolarHBondContact O-N 3.29Å; F621-F626 HydrophobicContact CD1-CB 4Å; F621-F626 HydrophobicContact CD1-CD2 4.26Å; F621-F626 PolarHBondContact O-N 2.99Å; F621-F626 VanDerWaalsContact O-N 3.08Å; F621-I627 HydrophobicContact CB-CD1 4.03Å; F621-I627 HydrophobicContact CB-CG1 4.02Å; F621-I632 HydrophobicContact CD1-CD1 4.41Å; F621-I632 HydrophobicContact CE1-CD1 4.29Å; F621-L637 HydrophobicContact CB-CD2 4.03Å; F621-L637 HydrophobicContact CD1-CD1 4.22Å; F621-L637 HydrophobicContact CD1-CD2 4.18Å; F621-L637 HydrophobicContact CD2-CD1 4.16Å; F621-L637 HydrophobicContact CD2-CD2 4.36Å; F621-L637 HydrophobicContact CE1-CD1 4.02Å; F621-L637 HydrophobicContact CE2-CD1 3.93Å; F621-L637 HydrophobicContact CG-CD1 4.3Å; F621-L637 HydrophobicContact CG-CD2 3.96Å; F621-L637 HydrophobicContact CZ-CD1 3.88Å; F621-L685 HydrophobicContact CD1-CD1 4.46Å; F621-L685 HydrophobicContact CE1-CD1 3.7Å; F621-L685 HydrophobicContact CZ-CD1 4.47Å; F621-F688 HydrophobicContact CD2-CD1 4.29Å; F621-F688 AromaticContact CD2-CE1 3.67Å; F621-F688 HydrophobicContact CD2-CE1 3.67Å; F621-F688 AromaticContact CE2-CD1 3.75Å; F621-F688 HydrophobicContact CE2-CD1 3.75Å; F621-F688 AromaticContact CE2-CE1 3.4Å; F621-F688 HydrophobicContact CE2-CE1 3.4Å; F621-F688 AromaticContact CZ-CD1 3.94Å; F621-F688 HydrophobicContact CZ-CD1 3.94Å; F621-F688 HydrophobicContact CZ-CE1 4.08Å; F621-V689 HydrophobicContact CZ-CG2 4.01Å; F621-M692 HydrophobicContact CE2-SD 3.84Å; F621-M692 HydrophobicContact CZ-SD 4.38Å; F621-I743 HydrophobicContact CZ-CD1 4.48Å
622	E	95.6	Very high	95.3	Very high	72 Å²	72	34.1 Å²	34.1	34%	0.336	18%	0.178	S	C	.	.	H	α-helix	trans	-69.5	-46.7	177.5	-173.9	60.9	-157.2	0	0	111.6	I588 L618 S619 M620 M624 G625 I627 N628	I588-E622 HydrophobicContact CD1-CB 4.44Å; I588-E622 HydrophobicContact CG2-CB 3.92Å; I588-E622 HydrophobicContact CG2-CG 4.32Å; L618-E622 PolarHBondContact O-N 3.07Å; S619-E622 PolarHBondContact O-N 3.18Å; M620-E622 VanDerWaalsContact C-N 3.35Å; M620-E622 PolarHBondContact O-N 3.32Å; E622-M624 VanDerWaalsContact C-N 3.31Å; E622-M624 PolarHBondContact O-N 3.41Å; E622-G625 WeakPolarHBondContact O-CA 3.42Å; E622-G625 PolarHBondContact O-N 3.29Å; E622-I627 HydrophobicContact CB-CD1 4.12Å; E622-I627 WeakPolarHBondContact OE2-CD1 3.28Å; E622-N628 PolarHBondContact OE1-ND2 2.79Å
623	D	96.1	Very high	95.5	Very high	67 Å²	67	35.7 Å²	35.7	36%	0.358	19%	0.185	S	C	.	.	H	α-helix	trans	-68.3	-27.8	-178.6	-176.9	67.8	0	0	0	113.3	V591 S619 G625 Y667 K671	V591-D623 HydrophobicContact CG2-CB 3.78Å; S619-D623 WeakPolarHBondContact O-CB 3.38Å; S619-D623 PolarHBondContact O-N 3.31Å; D623-G625 VanDerWaalsContact C-N 3.26Å; D623-Y667 HydrophobicContact CB-CE2 4.3Å; D623-Y667 VanDerWaalsContact OD2-CE2 3.27Å; D623-Y667 WeakPolarHBondContact OD2-CE2 3.48Å; D623-Y667 PolarHBondContact OD2-OH 3.47Å; D623-K671 IonicContact OD1-NZ 3.26Å; D623-K671 PolarHBondContact OD1-NZ 3.2Å; D623-K671 WeakPolarHBondContact OD2-CE 3.32Å; D623-K671 IonicContact OD2-NZ 2.97Å; D623-K671 PolarHBondContact OD2-NZ 3.18Å
624	M	96.1	Very high	95.5	Very high	12 Å²	12	38.6 Å²	38.6	6%	0.059	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-9.4	168.9	-65.7	-170.6	-75.2	0	0	113.1	M620 E622 F626 Y667 Y670 F688	M620-M624 HydrophobicContact CB-CE 4.27Å; M620-M624 WeakPolarHBondContact O-CB 3.25Å; M620-M624 WeakPolarHBondContact O-CE 3.39Å; M620-M624 VanDerWaalsContact O-CG 3.28Å; M620-M624 WeakPolarHBondContact O-CG 3.47Å; M620-M624 PolarHBondContact O-N 2.9Å; E622-M624 VanDerWaalsContact C-N 3.31Å; E622-M624 PolarHBondContact O-N 3.41Å; M624-F626 VanDerWaalsContact C-N 3.33Å; M624-F626 HydrophobicContact CB-CD2 3.79Å; M624-F626 HydrophobicContact CB-CE2 3.75Å; M624-F626 HydrophobicContact CB-CG 4.29Å; M624-F626 HydrophobicContact CB-CZ 4.22Å; M624-F626 HydrophobicContact CE-CD2 3.91Å; M624-F626 HydrophobicContact CE-CE2 3.62Å; M624-F626 HydrophobicContact CG-CE2 4.33Å; M624-F626 HydrophobicContact SD-CD2 4.38Å; M624-F626 HydrophobicContact SD-CE2 3.66Å; M624-F626 HydrophobicContact SD-CZ 4.32Å; M624-Y667 HydrophobicContact CE-CD2 4.31Å; M624-Y667 HydrophobicContact CG-CD2 3.83Å; M624-Y667 HydrophobicContact CG-CE2 4.12Å; M624-Y667 HydrophobicContact SD-CD2 3.98Å; M624-Y670 HydrophobicContact CB-CE1 4.04Å; M624-Y670 HydrophobicContact CG-CD1 3.59Å; M624-Y670 HydrophobicContact CG-CE1 3.56Å; M624-Y670 HydrophobicContact CG-CG 4.37Å; M624-Y670 HydrophobicContact SD-CD1 3.86Å; M624-Y670 HydrophobicContact SD-CE1 4.32Å; M624-Y670 HydrophobicContact SD-CG 4.08Å; M624-F688 HydrophobicContact CE-CD1 4Å; M624-F688 HydrophobicContact CE-CD2 3.57Å; M624-F688 HydrophobicContact CE-CE1 4.04Å; M624-F688 HydrophobicContact CE-CE2 3.61Å; M624-F688 HydrophobicContact CE-CG 3.76Å; M624-F688 HydrophobicContact CE-CZ 3.84Å; M624-F688 HydrophobicContact SD-CD2 4.43Å
625	G	95.5	Very high	95.5	Very high	22 Å²	22	41 Å²	41	23%	0.227	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	13.2	177.6	0	0	0	0	0	114.7	F621 E622 D623 T629	F621-G625 PolarHBondContact O-N 3.29Å; E622-G625 WeakPolarHBondContact O-CA 3.42Å; E622-G625 PolarHBondContact O-N 3.29Å; D623-G625 VanDerWaalsContact C-N 3.26Å; G625-T629 VanDerWaalsContact O-CB 3.28Å; G625-T629 WeakPolarHBondContact O-CB 3.35Å; G625-T629 PolarHBondContact O-N 3.03Å; G625-T629 VanDerWaalsContact O-N 3.13Å; G625-T629 PolarHBondContact O-OG1 2.95Å
626	F	96.5	Very high	95.6	Very high	3 Å²	3	39.5 Å²	39.5	1%	0.013	21%	0.205	C	C	.	.	H	α-helix	trans	-70.8	-35.3	-175	-69.2	-37.7	0	0	0	113.2	F621 M624 N628 T629 Y630 I684 L685	F621-F626 HydrophobicContact CD1-CB 4Å; F621-F626 HydrophobicContact CD1-CD2 4.26Å; F621-F626 PolarHBondContact O-N 2.99Å; F621-F626 VanDerWaalsContact O-N 3.08Å; M624-F626 VanDerWaalsContact C-N 3.33Å; M624-F626 HydrophobicContact CB-CD2 3.79Å; M624-F626 HydrophobicContact CB-CE2 3.75Å; M624-F626 HydrophobicContact CB-CG 4.29Å; M624-F626 HydrophobicContact CB-CZ 4.22Å; M624-F626 HydrophobicContact CE-CD2 3.91Å; M624-F626 HydrophobicContact CE-CE2 3.62Å; M624-F626 HydrophobicContact CG-CE2 4.33Å; M624-F626 HydrophobicContact SD-CD2 4.38Å; M624-F626 HydrophobicContact SD-CE2 3.66Å; M624-F626 HydrophobicContact SD-CZ 4.32Å; F626-N628 PolarHBondContact O-N 2.63Å; F626-T629 PolarHBondContact O-N 3.23Å; F626-Y630 HydrophobicContact CB-CD2 4.4Å; F626-Y630 HydrophobicContact CD1-CD2 4.13Å; F626-Y630 AromaticContact CD1-CE2 3.87Å; F626-Y630 HydrophobicContact CD1-CE2 3.87Å; F626-Y630 HydrophobicContact CE1-CE2 4.39Å; F626-Y630 WeakPolarHBondContact O-CB 3.4Å; F626-Y630 PolarHBondContact O-N 3.36Å; F626-I684 HydrophobicContact CZ-CB 4.07Å; F626-I684 HydrophobicContact CZ-CG2 3.79Å; F626-L685 HydrophobicContact CB-CD1 4.14Å; F626-L685 HydrophobicContact CD1-CB 4.37Å; F626-L685 HydrophobicContact CD1-CD1 4.37Å; F626-L685 HydrophobicContact CD2-CD1 3.68Å; F626-L685 HydrophobicContact CE1-CB 4.11Å; F626-L685 HydrophobicContact CE2-CB 4.32Å; F626-L685 HydrophobicContact CE2-CD1 4.12Å; F626-L685 HydrophobicContact CG-CD1 3.83Å; F626-L685 HydrophobicContact CZ-CB 4.08Å
627	I	95.3	Very high	95.7	Very high	15 Å²	15	39.4 Å²	39.4	8%	0.077	20%	0.204	C	C	.	.	H	α-helix	trans	-58.3	-51.6	-179.5	-62.5	179.2	0	0	0	110.2	I588 F621 E622 K631 I632 L637	I588-I627 HydrophobicContact CD1-CD1 3.72Å; F621-I627 HydrophobicContact CB-CD1 4.03Å; F621-I627 HydrophobicContact CB-CG1 4.02Å; E622-I627 HydrophobicContact CB-CD1 4.12Å; E622-I627 WeakPolarHBondContact OE2-CD1 3.28Å; I627-K631 CarbonylContact O-C 3.57Å; I627-K631 VanDerWaalsContact O-CA 3.24Å; I627-K631 WeakPolarHBondContact O-CA 3.17Å; I627-K631 PolarHBondContact O-N 2.94Å; I627-I632 PolarHBondContact O-N 3.26Å; I627-L637 HydrophobicContact CD1-CD2 3.77Å; I627-L637 HydrophobicContact CG1-CD2 3.91Å
628	N	94.3	Very high	95.7	Very high	112 Å²	112	39.4 Å²	39.4	60%	0.599	20%	0.204	S	C	*	.	H	α-helix	trans	-72.5	-41.6	-178.7	-66.7	-50.6	0	0	0	112.6	E622 F626	E622-N628 PolarHBondContact OE1-ND2 2.79Å; F626-N628 PolarHBondContact O-N 2.63Å
629	T	94.8	Very high	95.6	Very high	86 Å²	86	41 Å²	41	53%	0.528	21%	0.21	S	C	.	.	H	α-helix	trans	-64.3	-45.5	-177.1	-59.1	0	0	0	0	112	G625 F626	G625-T629 VanDerWaalsContact O-CB 3.28Å; G625-T629 WeakPolarHBondContact O-CB 3.35Å; G625-T629 PolarHBondContact O-N 3.03Å; G625-T629 VanDerWaalsContact O-N 3.13Å; G625-T629 PolarHBondContact O-OG1 2.95Å; F626-T629 PolarHBondContact O-N 3.23Å
630	Y	95.6	Very high	95.6	Very high	45 Å²	45	40.9 Å²	40.9	18%	0.176	21%	0.209	C	C	.	.	H	α-helix	trans	-97.9	1	-177	-70	-70	0	0	0	114	F626 I632 D681 I682 L685 F747	F626-Y630 HydrophobicContact CB-CD2 4.4Å; F626-Y630 HydrophobicContact CD1-CD2 4.13Å; F626-Y630 AromaticContact CD1-CE2 3.87Å; F626-Y630 HydrophobicContact CD1-CE2 3.87Å; F626-Y630 HydrophobicContact CE1-CE2 4.39Å; F626-Y630 WeakPolarHBondContact O-CB 3.4Å; F626-Y630 PolarHBondContact O-N 3.36Å; Y630-I632 VanDerWaalsContact C-N 3.27Å; Y630-I632 PolarHBondContact O-N 2.81Å; Y630-D681 HydrophobicContact CE2-CB 4.49Å; Y630-D681 WeakPolarHBondContact OH-CB 3.34Å; Y630-I682 VanDerWaalsContact OH-CA 3.24Å; Y630-I682 WeakPolarHBondContact OH-CA 3.47Å; Y630-I682 PolarHBondContact OH-N 3.4Å; Y630-L685 HydrophobicContact CD2-CD2 3.77Å; Y630-L685 HydrophobicContact CE2-CB 4.43Å; Y630-L685 HydrophobicContact CE2-CD2 3.81Å; Y630-L685 HydrophobicContact CG-CD2 4.23Å; Y630-F747 HydrophobicContact CD1-CD1 4.38Å; Y630-F747 AromaticContact CD1-CE1 3.43Å; Y630-F747 HydrophobicContact CD1-CE1 3.43Å; Y630-F747 VanDerWaalsContact CD1-CE1 3.43Å; Y630-F747 AromaticContact CD1-CZ 3.49Å; Y630-F747 HydrophobicContact CD1-CZ 3.49Å; Y630-F747 VanDerWaalsContact CD1-CZ 3.49Å; Y630-F747 HydrophobicContact CE1-CE1 4.23Å; Y630-F747 AromaticContact CE1-CZ 3.86Å; Y630-F747 HydrophobicContact CE1-CZ 3.86Å; Y630-F747 AromaticContact CG-CE1 3.85Å; Y630-F747 HydrophobicContact CG-CE1 3.85Å; Y630-F747 AromaticContact CG-CZ 3.99Å; Y630-F747 HydrophobicContact CG-CZ 3.99Å
631	K	94.9	Very high	95.6	Very high	163 Å²	163	40.9 Å²	40.9	71%	0.709	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	44.8	-178.1	-54.9	178.4	-177.8	177.3	0	111.9	I627 D633	I627-K631 CarbonylContact O-C 3.57Å; I627-K631 VanDerWaalsContact O-CA 3.24Å; I627-K631 WeakPolarHBondContact O-CA 3.17Å; I627-K631 PolarHBondContact O-N 2.94Å; K631-D633 PolarHBondContact O-N 3.37Å
632	I	96.3	Very high	95.5	Very high	10 Å²	10	42 Å²	42	5%	0.051	22%	0.215	C	C	.	.			trans	-71.2	125.3	179.2	-54.4	178.6	0	0	0	107.8	F621 I627 Y630 L634 L637 I743	F621-I632 HydrophobicContact CD1-CD1 4.41Å; F621-I632 HydrophobicContact CE1-CD1 4.29Å; I627-I632 PolarHBondContact O-N 3.26Å; Y630-I632 VanDerWaalsContact C-N 3.27Å; Y630-I632 PolarHBondContact O-N 2.81Å; I632-L634 PolarHBondContact O-N 2.84Å; I632-L637 HydrophobicContact CG2-CB 3.92Å; I632-I743 HydrophobicContact CG2-CB 3.99Å; I632-I743 HydrophobicContact CG2-CG2 4.09Å
633	D	95.6	Very high	95.4	Very high	88 Å²	88	38.8 Å²	38.8	47%	0.471	20%	0.2	S	C	.	.			trans	-67.6	128.2	174.7	178.8	78.7	0	0	0	110.1	K631 H635 T636 L637	K631-D633 PolarHBondContact O-N 3.37Å; D633-H635 VanDerWaalsContact C-N 3.28Å; D633-H635 PolarHBondContact O-N 3.38Å; D633-H635 WeakPolarHBondContact OD2-CA 3.32Å; D633-H635 WeakPolarHBondContact OD2-CB 3.47Å; D633-H635 PolarHBondContact OD2-N 3.26Å; D633-T636 PolarHBondContact O-N 2.9Å; D633-T636 PolarHBondContact OD2-N 3.49Å; D633-L637 PolarHBondContact O-N 3.4Å
634	L	94.1	Very high	95.4	Very high	60 Å²	60	35.6 Å²	35.6	31%	0.314	18%	0.183	S	C	.	.	H	α-helix	trans	-65.1	-33.6	-174.2	-177.9	59.2	0	0	0	112.1	L584 I588 L618 I632 L637 A638	L584-L634 HydrophobicContact CD1-CG 4.34Å; L584-L634 HydrophobicContact CD2-CD1 3.95Å; L584-L634 HydrophobicContact CD2-CD2 3.89Å; L584-L634 HydrophobicContact CD2-CG 3.6Å; I588-L634 HydrophobicContact CD1-CD1 3.44Å; I588-L634 VanDerWaalsContact CD1-CD1 3.44Å; I588-L634 HydrophobicContact CD1-CD2 4.21Å; I588-L634 HydrophobicContact CD1-CG 4.49Å; I588-L634 HydrophobicContact CG1-CD1 4.1Å; L618-L634 HydrophobicContact CD2-CD1 4.44Å; I632-L634 PolarHBondContact O-N 2.84Å; L634-L637 PolarHBondContact O-N 2.97Å; L634-A638 VanDerWaalsContact O-CB 3.32Å; L634-A638 WeakPolarHBondContact O-CB 3.48Å; L634-A638 PolarHBondContact O-N 3.44Å
635	H	94.4	Very high	95.3	Very high	54 Å²	54	36.7 Å²	36.7	25%	0.25	19%	0.187	C	C	.	.	H	α-helix	trans	-70.6	-40.7	177.6	-157.4	-67.7	0	0	0	111.3	E577 V580 L584 D633 R639	E577-H635 IonicContact OE2-CE1 3.39Å; E577-H635 PolarHBondContact OE2-CE1 3.12Å; E577-H635 IonicContact OE2-NE2 3.59Å; V580-H635 WeakPolarHBondContact CG1-CE1 3.19Å; L584-H635 HydrophobicContact CD1-CB 4.45Å; D633-H635 VanDerWaalsContact C-N 3.28Å; D633-H635 PolarHBondContact O-N 3.38Å; D633-H635 WeakPolarHBondContact OD2-CA 3.32Å; D633-H635 WeakPolarHBondContact OD2-CB 3.47Å; D633-H635 PolarHBondContact OD2-N 3.26Å; H635-R639 PolarHBondContact CE1-NH2 3.15Å; H635-R639 PolarHBondContact ND1-NH2 2.85Å; H635-R639 VanDerWaalsContact ND1-NH2 3.11Å; H635-R639 WeakPolarHBondContact O-CB 3.46Å; H635-R639 PolarHBondContact O-N 3.43Å
636	T	95.2	Very high	95.2	Very high	13 Å²	13	39.7 Å²	39.7	8%	0.08	19%	0.194	C	C	.	.	H	α-helix	trans	-65.2	-41	172.8	-68.1	0	0	0	0	111.7	D633 R639 F640 G740 N742 I743	D633-T636 PolarHBondContact O-N 2.9Å; D633-T636 PolarHBondContact OD2-N 3.49Å; T636-R639 PolarHBondContact O-N 2.78Å; T636-F640 VanDerWaalsContact O-CB 3.3Å; T636-F640 WeakPolarHBondContact O-CB 3.38Å; T636-F640 PolarHBondContact O-N 3.48Å; T636-G740 WeakPolarHBondContact CA-O 3.18Å; T636-N742 WeakPolarHBondContact CG2-O 3.47Å; T636-I743 HydrophobicContact CG2-CG2 4.04Å
637	L	96.5	Very high	95	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.7	-47.7	176.8	-178.8	61	0	0	0	112.1	L618 F621 I627 I632 D633 L634 R639 F640 C641 I743	L618-L637 HydrophobicContact CD2-CB 4.39Å; L618-L637 HydrophobicContact CD2-CD2 3.66Å; L618-L637 HydrophobicContact CD2-CG 3.58Å; F621-L637 HydrophobicContact CB-CD2 4.03Å; F621-L637 HydrophobicContact CD1-CD1 4.22Å; F621-L637 HydrophobicContact CD1-CD2 4.18Å; F621-L637 HydrophobicContact CD2-CD1 4.16Å; F621-L637 HydrophobicContact CD2-CD2 4.36Å; F621-L637 HydrophobicContact CE1-CD1 4.02Å; F621-L637 HydrophobicContact CE2-CD1 3.93Å; F621-L637 HydrophobicContact CG-CD1 4.3Å; F621-L637 HydrophobicContact CG-CD2 3.96Å; F621-L637 HydrophobicContact CZ-CD1 3.88Å; I627-L637 HydrophobicContact CD1-CD2 3.77Å; I627-L637 HydrophobicContact CG1-CD2 3.91Å; I632-L637 HydrophobicContact CG2-CB 3.92Å; D633-L637 PolarHBondContact O-N 3.4Å; L634-L637 PolarHBondContact O-N 2.97Å; L637-R639 VanDerWaalsContact C-N 3.34Å; L637-R639 PolarHBondContact O-N 3.19Å; L637-F640 WeakPolarHBondContact O-CB 3.32Å; L637-F640 PolarHBondContact O-N 3.07Å; L637-C641 PolarHBondContact O-N 2.96Å; L637-C641 PolarHBondContact O-SG 3.26Å; L637-I743 HydrophobicContact CB-CG2 4.23Å; L637-I743 HydrophobicContact CD1-CG2 3.9Å
638	A	95.6	Very high	95	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.2	-43.7	176.5	0	0	0	0	0	111.9	V580 L583 L584 L618 L634 C641 L642	V580-A638 HydrophobicContact CG1-CB 3.8Å; L583-A638 HydrophobicContact CD2-CB 3.92Å; L583-A638 HydrophobicContact CG-CB 4.49Å; L584-A638 HydrophobicContact CD1-CB 4.12Å; L584-A638 HydrophobicContact CD2-CB 3.83Å; L584-A638 HydrophobicContact CG-CB 3.98Å; L618-A638 HydrophobicContact CD1-CB 4.48Å; L634-A638 VanDerWaalsContact O-CB 3.32Å; L634-A638 WeakPolarHBondContact O-CB 3.48Å; L634-A638 PolarHBondContact O-N 3.44Å; A638-C641 PolarHBondContact O-N 3.01Å; A638-L642 WeakPolarHBondContact O-CG 3.29Å; A638-L642 PolarHBondContact O-N 2.93Å
639	R	95.3	Very high	95	Very high	35 Å²	35	40.4 Å²	40.4	13%	0.132	19%	0.19	C	C	.	.	H	α-helix	trans	-62.6	-43.8	175.3	-165.2	-177.9	-68.2	108.6	-6.5	111.6	V575 E577 V580 H635 T636 L637 L642 M643 G740	V575-R639 HydrophobicContact CB-CG 4.23Å; V575-R639 HydrophobicContact CG1-CG 4.43Å; E577-R639 IonicContact OE1-CZ 3.59Å; E577-R639 IonicContact OE1-NE 3.15Å; E577-R639 PolarHBondContact OE1-NE 3.29Å; E577-R639 IonicContact OE1-NH2 2.88Å; E577-R639 PolarHBondContact OE1-NH2 3.3Å; E577-R639 IonicContact OE2-NH2 3.41Å; E577-R639 PolarHBondContact OE2-NH2 2.81Å; V580-R639 HydrophobicContact CG2-CB 3.93Å; V580-R639 HydrophobicContact CG2-CG 4.08Å; H635-R639 PolarHBondContact CE1-NH2 3.15Å; H635-R639 PolarHBondContact ND1-NH2 2.85Å; H635-R639 VanDerWaalsContact ND1-NH2 3.11Å; H635-R639 WeakPolarHBondContact O-CB 3.46Å; H635-R639 PolarHBondContact O-N 3.43Å; T636-R639 PolarHBondContact O-N 2.78Å; L637-R639 VanDerWaalsContact C-N 3.34Å; L637-R639 PolarHBondContact O-N 3.19Å; R639-L642 PolarHBondContact O-N 3.1Å; R639-M643 VanDerWaalsContact O-CB 3.3Å; R639-M643 WeakPolarHBondContact O-CB 3.45Å; R639-M643 PolarHBondContact O-N 3.42Å; R639-G740 WeakPolarHBondContact CD-O 3.31Å; R639-G740 PolarHBondContact NH1-O 3.45Å
640	F	96.1	Very high	94.8	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-58.2	-51.1	175	173.7	-98.6	0	0	0	111.8	T636 L637 L642 M643 V644 V689 M692 I735 L736 C741 I743	T636-F640 VanDerWaalsContact O-CB 3.3Å; T636-F640 WeakPolarHBondContact O-CB 3.38Å; T636-F640 PolarHBondContact O-N 3.48Å; L637-F640 WeakPolarHBondContact O-CB 3.32Å; L637-F640 PolarHBondContact O-N 3.07Å; F640-L642 VanDerWaalsContact C-N 3.34Å; F640-L642 PolarHBondContact O-N 3.18Å; F640-M643 PolarHBondContact O-N 3.18Å; F640-V644 HydrophobicContact CD1-CG2 4.33Å; F640-V644 HydrophobicContact CD2-CG2 4.19Å; F640-V644 HydrophobicContact CE1-CG2 3.93Å; F640-V644 HydrophobicContact CE2-CG2 3.77Å; F640-V644 HydrophobicContact CG-CG2 4.45Å; F640-V644 HydrophobicContact CZ-CG2 3.62Å; F640-V644 WeakPolarHBondContact O-CG2 3.4Å; F640-V644 PolarHBondContact O-N 3.43Å; F640-V689 HydrophobicContact CE1-CG1 4.28Å; F640-V689 HydrophobicContact CZ-CG1 3.87Å; F640-M692 HydrophobicContact CD1-CE 4.49Å; F640-M692 HydrophobicContact CE1-CE 4.02Å; F640-I735 HydrophobicContact CD2-CG2 3.83Å; F640-I735 HydrophobicContact CE2-CG2 3.97Å; F640-L736 HydrophobicContact CD2-CD2 4.07Å; F640-L736 HydrophobicContact CE2-CD2 3.73Å; F640-L736 HydrophobicContact CE2-CG 4.18Å; F640-C741 WeakPolarHBondContact CD2-O 3.36Å; F640-I743 HydrophobicContact CB-CG2 3.68Å; F640-I743 HydrophobicContact CD1-CD1 3.94Å; F640-I743 HydrophobicContact CD1-CG1 4.45Å; F640-I743 HydrophobicContact CD1-CG2 4.18Å; F640-I743 HydrophobicContact CE1-CD1 3.83Å; F640-I743 HydrophobicContact CG-CD1 4.38Å; F640-I743 HydrophobicContact CG-CG1 4.41Å; F640-I743 HydrophobicContact CG-CG2 3.9Å; F640-I743 HydrophobicContact CZ-CD1 4.2Å
641	C	96.3	Very high	94.8	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-57.8	-45	179	-68.4	0	0	0	0	112.2	L637 A638 K645	L637-C641 PolarHBondContact O-N 2.96Å; L637-C641 PolarHBondContact O-SG 3.26Å; A638-C641 PolarHBondContact O-N 3.01Å; C641-K645 WeakPolarHBondContact O-CB 3.49Å; C641-K645 PolarHBondContact O-N 3.38Å
642	L	95	Very high	94.7	Very high	24 Å²	24	36 Å²	36	13%	0.126	18%	0.177	C	C	.	.	H	α-helix	trans	-66.6	-38.7	177.7	-70.6	171.6	0	0	0	112.2	V575 E579 V580 L583 P614 A638 R639 F640 K645 K646	V575-L642 HydrophobicContact CB-CB 4.46Å; V575-L642 HydrophobicContact CG1-CB 3.78Å; V575-L642 HydrophobicContact CG1-CD1 3.69Å; V575-L642 HydrophobicContact CG1-CG 4.4Å; V575-L642 HydrophobicContact CG2-CB 3.79Å; E579-L642 HydrophobicContact CB-CD1 4.23Å; V580-L642 HydrophobicContact CG2-CD1 4.2Å; L583-L642 HydrophobicContact CB-CD1 4.44Å; L583-L642 HydrophobicContact CD2-CD1 3.85Å; L583-L642 HydrophobicContact CD2-CD2 4.06Å; L583-L642 HydrophobicContact CD2-CG 3.77Å; P614-L642 HydrophobicContact CB-CD2 4.39Å; P614-L642 HydrophobicContact CG-CD2 4.24Å; A638-L642 WeakPolarHBondContact O-CG 3.29Å; A638-L642 PolarHBondContact O-N 2.93Å; R639-L642 PolarHBondContact O-N 3.1Å; F640-L642 VanDerWaalsContact C-N 3.34Å; F640-L642 PolarHBondContact O-N 3.18Å; L642-K645 PolarHBondContact O-N 3.29Å; L642-K646 WeakPolarHBondContact O-CG 3.02Å; L642-K646 PolarHBondContact O-N 3.37Å
643	M	93.7	Very high	94.7	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.02	18%	0.177	C	C	.	.	H	α-helix	trans	-66.9	-42.8	178.2	-166.9	76.6	173.3	0	0	111.2	M570 M573 V575 R639 F640 K646 G647 I735 T738	M570-M643 HydrophobicContact SD-CE 4.18Å; M573-M643 HydrophobicContact CB-CE 3.44Å; M573-M643 VanDerWaalsContact CB-CE 3.44Å; M573-M643 HydrophobicContact CB-SD 4.01Å; M573-M643 HydrophobicContact CE-CE 4.21Å; V575-M643 HydrophobicContact CG2-CB 4.07Å; V575-M643 HydrophobicContact CG2-SD 4.02Å; R639-M643 VanDerWaalsContact O-CB 3.3Å; R639-M643 WeakPolarHBondContact O-CB 3.45Å; R639-M643 PolarHBondContact O-N 3.42Å; F640-M643 PolarHBondContact O-N 3.18Å; M643-K646 PolarHBondContact O-N 3.23Å; M643-G647 PolarHBondContact O-N 2.74Å; M643-I735 HydrophobicContact CB-CG2 4.04Å; M643-I735 HydrophobicContact CG-CB 4.41Å; M643-I735 HydrophobicContact CG-CD1 4.34Å; M643-I735 HydrophobicContact CG-CG1 3.99Å; M643-I735 HydrophobicContact CG-CG2 3.76Å; M643-T738 HydrophobicContact CE-CG2 4.39Å
644	V	95.6	Very high	94.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.8	-49.8	174	172.8	0	0	0	0	109.8	F640 K646 G647 Y648 W656 M692 L696 I735	F640-V644 HydrophobicContact CD1-CG2 4.33Å; F640-V644 HydrophobicContact CD2-CG2 4.19Å; F640-V644 HydrophobicContact CE1-CG2 3.93Å; F640-V644 HydrophobicContact CE2-CG2 3.77Å; F640-V644 HydrophobicContact CG-CG2 4.45Å; F640-V644 HydrophobicContact CZ-CG2 3.62Å; F640-V644 WeakPolarHBondContact O-CG2 3.4Å; F640-V644 PolarHBondContact O-N 3.43Å; V644-K646 PolarHBondContact O-N 3.31Å; V644-G647 WeakPolarHBondContact O-CA 3.33Å; V644-G647 PolarHBondContact O-N 3Å; V644-Y648 HydrophobicContact CG1-CD2 4.42Å; V644-Y648 HydrophobicContact CG1-CE2 3.83Å; V644-Y648 VanDerWaalsContact O-CD2 3.25Å; V644-Y648 WeakPolarHBondContact O-CD2 3.26Å; V644-Y648 PolarHBondContact O-N 3.06Å; V644-W656 HydrophobicContact CG1-CZ3 3.87Å; V644-M692 HydrophobicContact CG1-CB 4.48Å; V644-M692 VanDerWaalsContact CG1-O 3.32Å; V644-M692 WeakPolarHBondContact CG1-O 3.43Å; V644-L696 HydrophobicContact CG1-CD2 4.09Å; V644-L696 WeakPolarHBondContact O-CD2 3.24Å; V644-I735 HydrophobicContact CG2-CD1 4.09Å; V644-I735 HydrophobicContact CG2-CG2 4.27Å
645	K	95.5	Very high	94.8	Very high	36 Å²	36	31.9 Å²	31.9	16%	0.157	15%	0.153	C	C	.	.	H	α-helix	trans	-53.8	-48.7	175.7	175.1	179	174.1	79.7	0	112.4	D610 P614 C641 L642 G647 Y648 W656	D610-K645 PolarHBondContact O-NZ 3.4Å; D610-K645 VanDerWaalsContact O-NZ 3.13Å; D610-K645 IonicContact OD1-NZ 2.68Å; D610-K645 PolarHBondContact OD1-NZ 3.03Å; D610-K645 IonicContact OD2-NZ 2.75Å; D610-K645 PolarHBondContact OD2-NZ 2.73Å; P614-K645 HydrophobicContact CG-CD 3.82Å; C641-K645 WeakPolarHBondContact O-CB 3.49Å; C641-K645 PolarHBondContact O-N 3.38Å; L642-K645 PolarHBondContact O-N 3.29Å; K645-G647 PolarHBondContact O-N 3.13Å; K645-Y648 PolarHBondContact O-N 3.24Å; K645-W656 HydrophobicContact CB-CD2 3.74Å; K645-W656 HydrophobicContact CB-CE3 3.9Å; K645-W656 HydrophobicContact CB-CG 4.29Å; K645-W656 HydrophobicContact CB-CH2 4.21Å; K645-W656 HydrophobicContact CB-CZ2 4.09Å; K645-W656 HydrophobicContact CB-CZ3 4.14Å; K645-W656 HydrophobicContact CD-CD2 4.47Å; K645-W656 HydrophobicContact CG-CB 4.48Å; K645-W656 HydrophobicContact CG-CD2 3.73Å; K645-W656 HydrophobicContact CG-CE3 4.38Å; K645-W656 HydrophobicContact CG-CG 3.76Å; K645-W656 HydrophobicContact CG-CZ2 4.44Å
646	K	93.5	Very high	94.9	Very high	85 Å²	85	29.9 Å²	29.9	37%	0.37	14%	0.144	S	C	.	.	H	α-helix	trans	-66.5	-22.1	176.8	-74.1	-171.2	-177.9	-175.3	0	113.6	K574 V575 E579 L642 M643 V644 Y648	K574-K646 PolarHBondContact O-NZ 3.3Å; V575-K646 HydrophobicContact CG2-CD 4.19Å; E579-K646 WeakPolarHBondContact OE1-CE 3.17Å; E579-K646 IonicContact OE1-NZ 2.92Å; E579-K646 PolarHBondContact OE1-NZ 3.41Å; E579-K646 IonicContact OE2-NZ 3.78Å; E579-K646 PolarHBondContact OE2-NZ 3.23Å; L642-K646 WeakPolarHBondContact O-CG 3.02Å; L642-K646 PolarHBondContact O-N 3.37Å; M643-K646 PolarHBondContact O-N 3.23Å; V644-K646 PolarHBondContact O-N 3.31Å; K646-Y648 VanDerWaalsContact C-N 3.34Å
647	G	92.4	Very high	95	Very high	9 Å²	9	30.5 Å²	30.5	9%	0.093	15%	0.146	C	C	.	.	H	α-helix	trans	-78.4	-14.5	177.2	0	0	0	0	0	114.4	M573 M643 V644 K645 D697	M573-G647 VanDerWaalsContact CE-CA 3.46Å; M643-G647 PolarHBondContact O-N 2.74Å; V644-G647 WeakPolarHBondContact O-CA 3.33Å; V644-G647 PolarHBondContact O-N 3Å; K645-G647 PolarHBondContact O-N 3.13Å; G647-D697 PolarHBondContact O-N 2.88Å
648	Y	95.1	Very high	95	Very high	18 Å²	18	30.5 Å²	30.5	7%	0.071	15%	0.146	C	C	.	.	S	Bend	trans	-77.2	142.5	169.6	-79.4	-89.6	0	0	0	111	V644 K645 K646 W656 A659 M692 D695 L696	V644-Y648 HydrophobicContact CG1-CD2 4.42Å; V644-Y648 HydrophobicContact CG1-CE2 3.83Å; V644-Y648 VanDerWaalsContact O-CD2 3.25Å; V644-Y648 WeakPolarHBondContact O-CD2 3.26Å; V644-Y648 PolarHBondContact O-N 3.06Å; K645-Y648 PolarHBondContact O-N 3.24Å; K646-Y648 VanDerWaalsContact C-N 3.34Å; Y648-W656 HydrophobicContact CD2-CB 4.35Å; Y648-W656 AromaticContact CD2-CE3 3.71Å; Y648-W656 HydrophobicContact CD2-CE3 3.71Å; Y648-W656 AromaticContact CE2-CE3 3.91Å; Y648-W656 HydrophobicContact CE2-CE3 3.91Å; Y648-W656 HydrophobicContact CE2-CZ3 4.37Å; Y648-W656 HydrophobicContact CG-CB 4.15Å; Y648-A659 HydrophobicContact CD1-CB 4.46Å; Y648-A659 HydrophobicContact CE1-CB 3.64Å; Y648-A659 HydrophobicContact CE2-CB 3.78Å; Y648-A659 WeakPolarHBondContact OH-CB 3.48Å; Y648-M692 VanDerWaalsContact CE2-O 3.24Å; Y648-M692 WeakPolarHBondContact CE2-O 3.45Å; Y648-M692 PolarHBondContact OH-O 3.37Å; Y648-D695 HydrophobicContact CE1-CB 3.69Å; Y648-D695 VanDerWaalsContact CE1-O 3.25Å; Y648-D695 WeakPolarHBondContact CE1-O 3.29Å; Y648-D695 PolarHBondContact OH-N 3.4Å; Y648-L696 HydrophobicContact CD2-CD2 3.73Å; Y648-L696 HydrophobicContact CE2-CD2 3.56Å; Y648-L696 HydrophobicContact CE2-CG 3.93Å; Y648-L696 HydrophobicContact CG-CD2 4.48Å
649	R	93.1	Very high	95.1	Very high	117 Å²	117	30.5 Å²	30.5	44%	0.442	15%	0.146	S	C	.	.			trans	-87.6	-177.5	170.9	-64.3	-176	177.3	-89.3	-11.2	110	P651 N655 D697 H698	R649-P651 WeakPolarHBondContact O-CD 3.41Å; R649-N655 WeakPolarHBondContact O-CB 3.07Å; R649-D697 IonicContact CZ-OD1 3.97Å; R649-D697 IonicContact NE-OD1 3.33Å; R649-D697 PolarHBondContact NE-OD1 3.38Å; R649-D697 IonicContact NH2-OD1 3.98Å; R649-D697 PolarHBondContact NH2-OD1 3.28Å; R649-D697 IonicContact NH2-OD2 3.58Å; R649-H698 WeakPolarHBondContact CB-O 3.42Å; R649-H698 WeakPolarHBondContact CD-O 3.47Å
650	D	92.1	Very high	95.3	Very high	153 Å²	153	28.8 Å²	28.8	82%	0.818	14%	0.139	S	C	*	.			trans	-112	51.5	-179	-164.8	35	0	0	0	113.5
651	P	93.9	Very high	95.3	Very high	13 Å²	13	28.8 Å²	28.8	8%	0.084	14%	0.139	C	C	.	.			trans	-73.9	161.7	164.9	37.2	-36.2	0	0	0	110	R649 Y653 H654 N655 E827	R649-P651 WeakPolarHBondContact O-CD 3.41Å; P651-Y653 VanDerWaalsContact C-N 3.31Å; P651-Y653 PolarHBondContact O-N 2.84Å; P651-H654 WeakPolarHBondContact CD-O 3.45Å; P651-H654 VanDerWaalsContact CG-C 3.48Å; P651-H654 HydrophobicContact CG-CB 4.12Å; P651-H654 WeakPolarHBondContact CG-O 3.32Å; P651-N655 PolarHBondContact O-ND2 3.25Å; P651-E827 WeakPolarHBondContact CB-OE2 3.34Å
652	P	93.8	Very high	95.4	Very high	36 Å²	36	28.8 Å²	28.8	23%	0.234	14%	0.139	C	C	.	.	S	Bend	trans	-56.1	-38.2	-174.7	-26.8	34.4	0	0	0	115.1	N655 K826 E827	P652-N655 PolarHBondContact O-ND2 2.9Å; P652-K826 HydrophobicContact CB-CB 4.27Å; P652-K826 HydrophobicContact CB-CD 4.27Å; P652-K826 HydrophobicContact CB-CG 4.28Å; P652-K826 HydrophobicContact CG-CB 4.46Å; P652-K826 HydrophobicContact CG-CD 4.3Å; P652-K826 HydrophobicContact CG-CG 4.08Å; P652-E827 HydrophobicContact CB-CB 4.12Å; P652-E827 HydrophobicContact CG-CB 4.04Å
653	Y	95.4	Very high	95.6	Very high	12 Å²	12	27.7 Å²	27.7	5%	0.047	13%	0.134	C	C	.	.	S	Bend	trans	-113.7	-54.6	-177.9	179.6	-104.9	0	0	0	113.2	R606 P651 N655 H658 D809 I820 L823 I824 E827	R606-Y653 VanDerWaalsContact NH2-CE2 3.28Å; P651-Y653 VanDerWaalsContact C-N 3.31Å; P651-Y653 PolarHBondContact O-N 2.84Å; Y653-N655 PolarHBondContact O-N 3.23Å; Y653-H658 AromaticContact CE1-CE1 3.84Å; Y653-H658 AromaticContact CE1-ND1 3.8Å; Y653-H658 AromaticContact CZ-CE1 3.78Å; Y653-H658 AromaticContact CZ-ND1 3.5Å; Y653-H658 VanDerWaalsContact O-CB 3.24Å; Y653-H658 WeakPolarHBondContact O-CB 3.34Å; Y653-H658 PolarHBondContact OH-CE1 3.36Å; Y653-H658 PolarHBondContact OH-ND1 3.09Å; Y653-D809 PolarHBondContact OH-OD2 3.25Å; Y653-I820 HydrophobicContact CD2-CG2 4.06Å; Y653-I820 HydrophobicContact CE2-CG2 3.48Å; Y653-I820 VanDerWaalsContact CE2-CG2 3.48Å; Y653-L823 HydrophobicContact CD2-CB 4.44Å; Y653-I824 HydrophobicContact CD1-CG1 3.87Å; Y653-I824 HydrophobicContact CD2-CD1 4.22Å; Y653-I824 HydrophobicContact CD2-CG1 3.5Å; Y653-I824 HydrophobicContact CE1-CD1 4.4Å; Y653-I824 HydrophobicContact CE1-CG1 4.1Å; Y653-I824 HydrophobicContact CE2-CD1 3.94Å; Y653-I824 HydrophobicContact CE2-CG1 3.75Å; Y653-I824 HydrophobicContact CG-CG1 3.55Å; Y653-E827 WeakPolarHBondContact CA-OE2 3.46Å; Y653-E827 PolarHBondContact N-OE2 3.1Å
654	H	96.8	Very high	95.8	Very high	36 Å²	36	27.5 Å²	27.5	17%	0.167	13%	0.133	C	C	.	.	S	Bend	trans	-78.9	59.9	-173.7	-59.9	95.5	0	0	0	112.9	P651 D695 H698 E827	P651-H654 WeakPolarHBondContact CD-O 3.45Å; P651-H654 VanDerWaalsContact CG-C 3.48Å; P651-H654 HydrophobicContact CG-CB 4.12Å; P651-H654 WeakPolarHBondContact CG-O 3.32Å; H654-D695 IonicContact CD2-OD2 2.72Å; H654-D695 PolarHBondContact CD2-OD2 3.28Å; H654-H698 HydrophobicContact CB-CB 4.06Å; H654-H698 VanDerWaalsContact CB-ND1 3.33Å; H654-H698 WeakPolarHBondContact CB-ND1 3.32Å; H654-H698 AromaticContact CG-CE1 3.7Å; H654-H698 AromaticContact CG-ND1 3.69Å; H654-H698 AromaticContact ND1-CE1 3.56Å; H654-H698 AromaticContact ND1-ND1 3.89Å; H654-E827 IonicContact CE1-OE1 3.91Å; H654-E827 PolarHBondContact CE1-OE1 2.93Å; H654-E827 IonicContact CG-OE1 3.17Å; H654-E827 PolarHBondContact N-OE2 2.9Å; H654-E827 VanDerWaalsContact N-OE2 3.11Å; H654-E827 IonicContact ND1-OE1 3.24Å; H654-E827 PolarHBondContact ND1-OE1 2.93Å; H654-E827 IonicContact ND1-OE2 3.13Å; H654-E827 PolarHBondContact ND1-OE2 3.43Å
655	N	95.9	Very high	95.9	Very high	23 Å²	23	27.5 Å²	27.5	12%	0.123	13%	0.133	C	C	.	.	S	Bend	trans	-113.5	-177.6	179.2	57.9	44.7	0	0	0	111.4	R649 P651 P652 Y653 M657 H658 A659	R649-N655 WeakPolarHBondContact O-CB 3.07Å; P651-N655 PolarHBondContact O-ND2 3.25Å; P652-N655 PolarHBondContact O-ND2 2.9Å; Y653-N655 PolarHBondContact O-N 3.23Å; N655-M657 PolarHBondContact O-N 3.47Å; N655-M657 WeakPolarHBondContact OD1-CB 3.42Å; N655-M657 PolarHBondContact OD1-N 3.37Å; N655-M657 VanDerWaalsContact OD1-N 3.07Å; N655-H658 WeakPolarHBondContact O-CB 3.42Å; N655-H658 PolarHBondContact O-N 3.36Å; N655-H658 VanDerWaalsContact O-N 3.1Å; N655-H658 PolarHBondContact OD1-N 2.92Å; N655-A659 PolarHBondContact O-N 3.1Å
656	W	97	Very high	96.1	Very high	13 Å²	13	25.9 Å²	25.9	5%	0.049	13%	0.126	C	C	.	.	H	α-helix	trans	-55.6	-35.9	179.9	167	-104.6	0	0	0	113.5	D610 T613 V617 V644 K645 Y648 H658 A659 F660	D610-W656 VanDerWaalsContact OD1-CD1 3.22Å; T613-W656 PolarHBondContact OG1-NE1 3.02Å; V617-W656 HydrophobicContact CG2-CH2 4.34Å; V617-W656 HydrophobicContact CG2-CZ2 4.45Å; V644-W656 HydrophobicContact CG1-CZ3 3.87Å; K645-W656 HydrophobicContact CB-CD2 3.74Å; K645-W656 HydrophobicContact CB-CE3 3.9Å; K645-W656 HydrophobicContact CB-CG 4.29Å; K645-W656 HydrophobicContact CB-CH2 4.21Å; K645-W656 HydrophobicContact CB-CZ2 4.09Å; K645-W656 HydrophobicContact CB-CZ3 4.14Å; K645-W656 HydrophobicContact CD-CD2 4.47Å; K645-W656 HydrophobicContact CG-CB 4.48Å; K645-W656 HydrophobicContact CG-CD2 3.73Å; K645-W656 HydrophobicContact CG-CE3 4.38Å; K645-W656 HydrophobicContact CG-CG 3.76Å; K645-W656 HydrophobicContact CG-CZ2 4.44Å; Y648-W656 HydrophobicContact CD2-CB 4.35Å; Y648-W656 AromaticContact CD2-CE3 3.71Å; Y648-W656 HydrophobicContact CD2-CE3 3.71Å; Y648-W656 AromaticContact CE2-CE3 3.91Å; Y648-W656 HydrophobicContact CE2-CE3 3.91Å; Y648-W656 HydrophobicContact CE2-CZ3 4.37Å; Y648-W656 HydrophobicContact CG-CB 4.15Å; W656-H658 VanDerWaalsContact C-N 3.31Å; W656-H658 PolarHBondContact O-N 3.25Å; W656-A659 HydrophobicContact CE3-CB 4.48Å; W656-A659 PolarHBondContact O-N 3.4Å; W656-F660 HydrophobicContact CZ2-CB 4.45Å; W656-F660 WeakPolarHBondContact O-CB 3.44Å; W656-F660 PolarHBondContact O-N 3.19Å
657	M	96.3	Very high	96.3	Very high	25 Å²	25	22 Å²	22	12%	0.123	11%	0.109	C	C	.	.	H	α-helix	trans	-67.6	-32.1	-179.5	-71.8	-58.1	-60.7	0	0	112.4	R606 D610 T613 N655 F660 S661	R606-M657 HydrophobicContact CB-CE 4.49Å; D610-M657 HydrophobicContact CB-SD 4.39Å; D610-M657 VanDerWaalsContact OD1-SD 3.4Å; T613-M657 HydrophobicContact CG2-CE 4.08Å; T613-M657 HydrophobicContact CG2-SD 3.75Å; N655-M657 PolarHBondContact O-N 3.47Å; N655-M657 WeakPolarHBondContact OD1-CB 3.42Å; N655-M657 PolarHBondContact OD1-N 3.37Å; N655-M657 VanDerWaalsContact OD1-N 3.07Å; M657-F660 HydrophobicContact CE-CD1 4.39Å; M657-S661 WeakPolarHBondContact O-CB 3.07Å; M657-S661 PolarHBondContact O-N 3.25Å; M657-S661 PolarHBondContact O-OG 3.42Å
658	H	97.3	Very high	96.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62	-55.6	168.7	171.1	59.4	0	0	0	110.4	Y653 N655 W656 F660 S661 V662 H694 D695 D806	Y653-H658 AromaticContact CE1-CE1 3.84Å; Y653-H658 AromaticContact CE1-ND1 3.8Å; Y653-H658 AromaticContact CZ-CE1 3.78Å; Y653-H658 AromaticContact CZ-ND1 3.5Å; Y653-H658 VanDerWaalsContact O-CB 3.24Å; Y653-H658 WeakPolarHBondContact O-CB 3.34Å; Y653-H658 PolarHBondContact OH-CE1 3.36Å; Y653-H658 PolarHBondContact OH-ND1 3.09Å; N655-H658 WeakPolarHBondContact O-CB 3.42Å; N655-H658 PolarHBondContact O-N 3.36Å; N655-H658 VanDerWaalsContact O-N 3.1Å; N655-H658 PolarHBondContact OD1-N 2.92Å; W656-H658 VanDerWaalsContact C-N 3.31Å; W656-H658 PolarHBondContact O-N 3.25Å; H658-F660 VanDerWaalsContact C-N 3.29Å; H658-F660 PolarHBondContact O-N 3.34Å; H658-S661 WeakPolarHBondContact O-CA 3.41Å; H658-S661 WeakPolarHBondContact O-CB 3.31Å; H658-S661 PolarHBondContact O-N 3.07Å; H658-V662 WeakPolarHBondContact CE1-CG2 3.2Å; H658-V662 WeakPolarHBondContact O-CG2 3.45Å; H658-V662 PolarHBondContact O-N 3.16Å; H658-H694 AromaticContact CD2-CE1 3.92Å; H658-H694 AromaticContact CD2-NE2 3.92Å; H658-H694 AromaticContact NE2-CE1 3.59Å; H658-H694 AromaticContact NE2-NE2 3.29Å; H658-H694 PolarHBondContact NE2-NE2 3.1Å; H658-D695 IonicContact CD2-OD2 3.01Å; H658-D695 PolarHBondContact CD2-OD2 2.91Å; H658-D695 IonicContact NE2-OD2 3.37Å; H658-D695 PolarHBondContact NE2-OD2 3.43Å; H658-D806 IonicContact CE1-OD1 2.76Å; H658-D806 PolarHBondContact CE1-OD1 2.91Å; H658-D806 VanDerWaalsContact CE1-OD1 3.24Å; H658-D806 IonicContact NE2-OD1 3.08Å; H658-D806 PolarHBondContact NE2-OD1 3Å; H658-D806 VanDerWaalsContact NE2-OD1 3.13Å
659	A	97.8	Very high	96.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-57.3	-39.4	179.9	0	0	0	0	0	113.7	Y648 N655 W656 S663	Y648-A659 HydrophobicContact CD1-CB 4.46Å; Y648-A659 HydrophobicContact CE1-CB 3.64Å; Y648-A659 HydrophobicContact CE2-CB 3.78Å; Y648-A659 WeakPolarHBondContact OH-CB 3.48Å; N655-A659 PolarHBondContact O-N 3.1Å; W656-A659 HydrophobicContact CE3-CB 4.48Å; W656-A659 PolarHBondContact O-N 3.4Å; A659-S663 WeakPolarHBondContact O-CB 3.32Å; A659-S663 PolarHBondContact O-N 3.49Å; A659-S663 PolarHBondContact O-OG 3.23Å
660	F	98.1	Very high	96.9	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.8	-43.5	173.1	174.1	-103.8	0	0	0	111.9	P605 L608 T613 V617 M620 W656 M657 H658 S663 H664	P605-F660 HydrophobicContact CB-CD1 4.14Å; P605-F660 HydrophobicContact CB-CE1 3.83Å; L608-F660 HydrophobicContact CD1-CE1 4.41Å; L608-F660 HydrophobicContact CD2-CZ 4.2Å; T613-F660 HydrophobicContact CG2-CD1 3.75Å; T613-F660 HydrophobicContact CG2-CD2 4.25Å; T613-F660 HydrophobicContact CG2-CE1 3.82Å; T613-F660 HydrophobicContact CG2-CE2 4.31Å; T613-F660 HydrophobicContact CG2-CG 3.98Å; T613-F660 HydrophobicContact CG2-CZ 4.11Å; T613-F660 WeakPolarHBondContact O-CE2 3.44Å; V617-F660 HydrophobicContact CG2-CD2 3.84Å; V617-F660 HydrophobicContact CG2-CE2 4.04Å; M620-F660 HydrophobicContact CE-CD2 4.5Å; M620-F660 HydrophobicContact CE-CE2 3.9Å; W656-F660 HydrophobicContact CZ2-CB 4.45Å; W656-F660 WeakPolarHBondContact O-CB 3.44Å; W656-F660 PolarHBondContact O-N 3.19Å; M657-F660 HydrophobicContact CE-CD1 4.39Å; H658-F660 VanDerWaalsContact C-N 3.29Å; H658-F660 PolarHBondContact O-N 3.34Å; F660-S663 PolarHBondContact O-N 3.44Å; F660-H664 WeakPolarHBondContact O-CB 3.2Å; F660-H664 PolarHBondContact O-N 3.35Å
661	S	97.5	Very high	97	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-65.1	-42	178.9	-58	0	0	0	0	112	R606 M657 H658 H664 F665	R606-S661 WeakPolarHBondContact CG-OG 3.44Å; M657-S661 WeakPolarHBondContact O-CB 3.07Å; M657-S661 PolarHBondContact O-N 3.25Å; M657-S661 PolarHBondContact O-OG 3.42Å; H658-S661 WeakPolarHBondContact O-CA 3.41Å; H658-S661 WeakPolarHBondContact O-CB 3.31Å; H658-S661 PolarHBondContact O-N 3.07Å; S661-H664 PolarHBondContact O-N 3.11Å; S661-F665 PolarHBondContact O-N 3.4Å
662	V	98.4	Very high	97.1	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.006	8%	0.08	C	C	.	.	H	α-helix	trans	-61.9	-45	173.9	175	0	0	0	0	110.9	H658 F665 C666 C691 M802 C805	H658-V662 WeakPolarHBondContact CE1-CG2 3.2Å; H658-V662 WeakPolarHBondContact O-CG2 3.45Å; H658-V662 PolarHBondContact O-N 3.16Å; V662-F665 PolarHBondContact O-N 3.22Å; V662-C666 PolarHBondContact O-N 2.94Å; V662-C691 HydrophobicContact CG1-CB 3.89Å; V662-M802 HydrophobicContact CG1-CE 3.64Å; V662-C805 HydrophobicContact CG1-CB 3.66Å
663	S	98.4	Very high	97.2	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.007	7%	0.073	C	C	.	.	H	α-helix	trans	-64.9	-41.8	177.1	-55.2	0	0	0	0	111.9	A659 F660 F665 C666 Y667 F688 C691 M692	A659-S663 WeakPolarHBondContact O-CB 3.32Å; A659-S663 PolarHBondContact O-N 3.49Å; A659-S663 PolarHBondContact O-OG 3.23Å; F660-S663 PolarHBondContact O-N 3.44Å; S663-F665 VanDerWaalsContact C-N 3.34Å; S663-F665 PolarHBondContact O-N 3.4Å; S663-C666 WeakPolarHBondContact O-CB 3.38Å; S663-C666 PolarHBondContact O-N 3.27Å; S663-Y667 PolarHBondContact O-N 3.39Å; S663-F688 VanDerWaalsContact O-CE2 3.23Å; S663-F688 WeakPolarHBondContact O-CE2 3.39Å; S663-C691 VanDerWaalsContact OG-C 3.31Å; S663-M692 VanDerWaalsContact OG-CA 3.29Å; S663-M692 WeakPolarHBondContact OG-CA 3.41Å; S663-M692 WeakPolarHBondContact OG-CG 3.15Å; S663-M692 PolarHBondContact OG-N 3.45Å; S663-M692 VanDerWaalsContact OG-N 3.12Å
664	H	98.2	Very high	97.1	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60.4	-43.9	173.8	176.9	-98.4	0	0	0	111.2	F598 Y603 P605 M620 F660 S661 C666 Y667 L668	F598-H664 AromaticContact CD1-NE2 3.64Å; F598-H664 AromaticContact CE1-CD2 3.41Å; F598-H664 VanDerWaalsContact CE1-CD2 3.41Å; F598-H664 WeakPolarHBondContact CE1-CD2 3.34Å; F598-H664 AromaticContact CE1-NE2 3.54Å; F598-H664 AromaticContact CE2-CD2 3.99Å; F598-H664 AromaticContact CZ-CD2 3.4Å; F598-H664 WeakPolarHBondContact CZ-CD2 3.45Å; F598-H664 AromaticContact CZ-NE2 3.77Å; F598-H664 PolarHBondContact O-CE1 2.86Å; F598-H664 PolarHBondContact O-NE2 3.21Å; Y603-H664 AromaticContact CD1-CE1 3.56Å; Y603-H664 AromaticContact CD1-NE2 3.74Å; P605-H664 HydrophobicContact CB-CB 3.93Å; P605-H664 HydrophobicContact CG-CB 4.31Å; M620-H664 HydrophobicContact SD-CB 4.35Å; F660-H664 WeakPolarHBondContact O-CB 3.2Å; F660-H664 PolarHBondContact O-N 3.35Å; S661-H664 PolarHBondContact O-N 3.11Å; H664-C666 VanDerWaalsContact C-N 3.32Å; H664-C666 PolarHBondContact O-N 3.16Å; H664-Y667 CarbonylContact O-C 3.58Å; H664-Y667 WeakPolarHBondContact O-CA 3.44Å; H664-Y667 VanDerWaalsContact O-CB 3.29Å; H664-Y667 WeakPolarHBondContact O-CB 3.44Å; H664-Y667 PolarHBondContact O-N 3.35Å; H664-L668 WeakPolarHBondContact O-CG 3.47Å; H664-L668 PolarHBondContact O-N 3.23Å
665	F	98.4	Very high	97	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63.7	-37.1	176.2	-162.3	-100.5	0	0	0	112.6	F601 S661 V662 S663 Y667 L668 L669 C805 S808 T811 Y869 L882	F601-F665 HydrophobicContact CD1-CE2 4.24Å; S661-F665 PolarHBondContact O-N 3.4Å; V662-F665 PolarHBondContact O-N 3.22Å; S663-F665 VanDerWaalsContact C-N 3.34Å; S663-F665 PolarHBondContact O-N 3.4Å; F665-Y667 VanDerWaalsContact C-N 3.29Å; F665-Y667 PolarHBondContact O-N 2.74Å; F665-L668 HydrophobicContact CD2-CD1 4.03Å; F665-L668 WeakPolarHBondContact O-CB 3.31Å; F665-L668 PolarHBondContact O-N 2.99Å; F665-L668 VanDerWaalsContact O-N 3.11Å; F665-L669 HydrophobicContact CD1-CD1 3.84Å; F665-L669 HydrophobicContact CD1-CD2 4.4Å; F665-L669 HydrophobicContact CD1-CG 3.93Å; F665-L669 HydrophobicContact CE1-CD1 3.87Å; F665-L669 HydrophobicContact CE1-CD2 3.87Å; F665-L669 HydrophobicContact CE1-CG 3.9Å; F665-L669 HydrophobicContact CZ-CD2 4.34Å; F665-L669 WeakPolarHBondContact O-CG 3.42Å; F665-L669 PolarHBondContact O-N 3.43Å; F665-C805 HydrophobicContact CD1-CB 4.33Å; F665-S808 VanDerWaalsContact CD2-CB 3.41Å; F665-T811 WeakPolarHBondContact CE2-OG1 3.29Å; F665-T811 HydrophobicContact CZ-CG2 4.23Å; F665-Y869 HydrophobicContact CE1-CE1 4.44Å; F665-Y869 HydrophobicContact CZ-CE1 4.28Å; F665-L882 HydrophobicContact CE2-CD2 4Å; F665-L882 HydrophobicContact CZ-CD1 3.77Å; F665-L882 HydrophobicContact CZ-CD2 3.9Å; F665-L882 HydrophobicContact CZ-CG 4.46Å
666	C	98.5	Very high	96.9	Very high	1 Å²	1	16 Å²	16	1%	0.007	9%	0.087	C	C	.	.	H	α-helix	trans	-57.7	-43.4	170.8	-178	0	0	0	0	111.7	V662 S663 H664 L669 Y670 F688 C691 C805	V662-C666 PolarHBondContact O-N 2.94Å; S663-C666 WeakPolarHBondContact O-CB 3.38Å; S663-C666 PolarHBondContact O-N 3.27Å; H664-C666 VanDerWaalsContact C-N 3.32Å; H664-C666 PolarHBondContact O-N 3.16Å; C666-L669 PolarHBondContact O-N 3.2Å; C666-Y670 PolarHBondContact O-N 3.38Å; C666-F688 HydrophobicContact CB-CD2 4.21Å; C666-C691 HydrophobicContact CB-CB 4.49Å; C666-C805 VanDerWaalsContact CA-SG 3.55Å
667	Y	98.2	Very high	96.8	Very high	3 Å²	3	21.2 Å²	21.2	1%	0.012	12%	0.115	C	C	.	.	H	α-helix	trans	-61.8	-41.6	173.5	166.8	-97.4	0	0	0	112.1	V591 F598 A599 M620 D623 M624 S663 H664 F665 L669 Y670 K671	V591-Y667 HydrophobicContact CG1-CE1 4.39Å; F598-Y667 HydrophobicContact CD1-CD1 4.49Å; F598-Y667 AromaticContact CD1-CE1 3.98Å; F598-Y667 HydrophobicContact CD1-CE1 3.98Å; F598-Y667 HydrophobicContact CE1-CD1 4.21Å; F598-Y667 HydrophobicContact CE1-CE1 4.04Å; A599-Y667 HydrophobicContact CB-CE1 4.08Å; M620-Y667 HydrophobicContact CB-CD2 3.98Å; M620-Y667 HydrophobicContact CB-CE2 4.45Å; M620-Y667 HydrophobicContact CB-CG 4.28Å; M620-Y667 HydrophobicContact CG-CD1 4.04Å; M620-Y667 HydrophobicContact CG-CD2 3.85Å; M620-Y667 HydrophobicContact CG-CE1 4.44Å; M620-Y667 HydrophobicContact CG-CE2 4.25Å; M620-Y667 HydrophobicContact CG-CG 3.74Å; M620-Y667 WeakPolarHBondContact SD-CB 3.4Å; M620-Y667 HydrophobicContact SD-CD1 3.93Å; M620-Y667 HydrophobicContact SD-CD2 4.33Å; M620-Y667 HydrophobicContact SD-CG 3.66Å; D623-Y667 HydrophobicContact CB-CE2 4.3Å; D623-Y667 VanDerWaalsContact OD2-CE2 3.27Å; D623-Y667 WeakPolarHBondContact OD2-CE2 3.48Å; D623-Y667 PolarHBondContact OD2-OH 3.47Å; M624-Y667 HydrophobicContact CE-CD2 4.31Å; M624-Y667 HydrophobicContact CG-CD2 3.83Å; M624-Y667 HydrophobicContact CG-CE2 4.12Å; M624-Y667 HydrophobicContact SD-CD2 3.98Å; S663-Y667 PolarHBondContact O-N 3.39Å; H664-Y667 CarbonylContact O-C 3.58Å; H664-Y667 WeakPolarHBondContact O-CA 3.44Å; H664-Y667 VanDerWaalsContact O-CB 3.29Å; H664-Y667 WeakPolarHBondContact O-CB 3.44Å; H664-Y667 PolarHBondContact O-N 3.35Å; F665-Y667 VanDerWaalsContact C-N 3.29Å; F665-Y667 PolarHBondContact O-N 2.74Å; Y667-L669 PolarHBondContact O-N 3.19Å; Y667-Y670 WeakPolarHBondContact O-CB 3.39Å; Y667-Y670 PolarHBondContact O-N 2.99Å; Y667-K671 HydrophobicContact CD1-CG 4.49Å; Y667-K671 HydrophobicContact CD2-CG 4.16Å; Y667-K671 HydrophobicContact CE1-CG 4.03Å; Y667-K671 HydrophobicContact CE2-CD 3.84Å; Y667-K671 HydrophobicContact CE2-CG 3.68Å; Y667-K671 WeakPolarHBondContact O-CG 3.45Å; Y667-K671 PolarHBondContact O-N 3.47Å
668	L	97.7	Very high	96.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.2	-44.2	175.3	-61.7	-179.4	0	0	0	112	F598 A599 F601 H664 F665 Y670 K671 N672	F598-L668 WeakPolarHBondContact O-CD2 3.4Å; A599-L668 WeakPolarHBondContact O-CD2 3.28Å; F601-L668 HydrophobicContact CD1-CB 3.89Å; F601-L668 HydrophobicContact CD1-CD1 4.13Å; F601-L668 HydrophobicContact CE1-CB 3.83Å; H664-L668 WeakPolarHBondContact O-CG 3.47Å; H664-L668 PolarHBondContact O-N 3.23Å; F665-L668 HydrophobicContact CD2-CD1 4.03Å; F665-L668 WeakPolarHBondContact O-CB 3.31Å; F665-L668 PolarHBondContact O-N 2.99Å; F665-L668 VanDerWaalsContact O-N 3.11Å; L668-Y670 VanDerWaalsContact C-N 3.32Å; L668-Y670 PolarHBondContact O-N 3.12Å; L668-K671 PolarHBondContact O-N 3.17Å; L668-N672 VanDerWaalsContact O-CB 3.31Å; L668-N672 WeakPolarHBondContact O-CB 3.38Å; L668-N672 PolarHBondContact O-N 3.43Å; L668-N672 PolarHBondContact O-ND2 3.25Å
669	L	97.8	Very high	96.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.3	-43.6	176.5	-65.3	176.2	0	0	0	110.7	F601 F665 C666 Y667 K671 L673 L675 L801 L872 L882	F601-L669 HydrophobicContact CE1-CD2 4.03Å; F601-L669 HydrophobicContact CZ-CD2 4.27Å; F665-L669 HydrophobicContact CD1-CD1 3.84Å; F665-L669 HydrophobicContact CD1-CD2 4.4Å; F665-L669 HydrophobicContact CD1-CG 3.93Å; F665-L669 HydrophobicContact CE1-CD1 3.87Å; F665-L669 HydrophobicContact CE1-CD2 3.87Å; F665-L669 HydrophobicContact CE1-CG 3.9Å; F665-L669 HydrophobicContact CZ-CD2 4.34Å; F665-L669 WeakPolarHBondContact O-CG 3.42Å; F665-L669 PolarHBondContact O-N 3.43Å; C666-L669 PolarHBondContact O-N 3.2Å; Y667-L669 PolarHBondContact O-N 3.19Å; L669-K671 PolarHBondContact O-N 3.02Å; L669-L673 HydrophobicContact CB-CD1 4.33Å; L669-L673 HydrophobicContact CD2-CD1 3.57Å; L669-L673 HydrophobicContact CD2-CG 4.28Å; L669-L673 WeakPolarHBondContact O-CB 3.41Å; L669-L673 WeakPolarHBondContact O-CG 3.39Å; L669-L673 PolarHBondContact O-N 3.01Å; L669-L675 HydrophobicContact CB-CD1 4.02Å; L669-L801 HydrophobicContact CD1-CD2 3.84Å; L669-L872 HydrophobicContact CD2-CD2 4.08Å; L669-L882 HydrophobicContact CD2-CD1 4.17Å
670	Y	97.3	Very high	96.6	Very high	39 Å²	39	27.9 Å²	27.9	15%	0.153	14%	0.144	C	C	.	.	H	α-helix	trans	-55.9	-51.3	175.3	171	-101.2	0	0	0	112.3	M624 C666 Y667 L668 G674 L675 I684	M624-Y670 HydrophobicContact CB-CE1 4.04Å; M624-Y670 HydrophobicContact CG-CD1 3.59Å; M624-Y670 HydrophobicContact CG-CE1 3.56Å; M624-Y670 HydrophobicContact CG-CG 4.37Å; M624-Y670 HydrophobicContact SD-CD1 3.86Å; M624-Y670 HydrophobicContact SD-CE1 4.32Å; M624-Y670 HydrophobicContact SD-CG 4.08Å; C666-Y670 PolarHBondContact O-N 3.38Å; Y667-Y670 WeakPolarHBondContact O-CB 3.39Å; Y667-Y670 PolarHBondContact O-N 2.99Å; L668-Y670 VanDerWaalsContact C-N 3.32Å; L668-Y670 PolarHBondContact O-N 3.12Å; Y670-G674 PolarHBondContact O-N 2.96Å; Y670-L675 HydrophobicContact CD2-CB 4.29Å; Y670-L675 PolarHBondContact O-N 3.29Å; Y670-I684 HydrophobicContact CD2-CD1 4.09Å; Y670-I684 HydrophobicContact CD2-CG2 3.78Å; Y670-I684 HydrophobicContact CE2-CD1 4.07Å; Y670-I684 HydrophobicContact CE2-CG2 4.32Å; Y670-I684 HydrophobicContact CG-CG2 4.49Å
671	K	94.9	Very high	96.5	Very high	86 Å²	86	31.4 Å²	31.4	37%	0.374	16%	0.163	S	C	.	.	H	α-helix	trans	-70.7	-45.8	-176.3	-63.2	-64.2	-70.3	-157.1	0	113	D623 Y667 L668 L669	D623-K671 IonicContact OD1-NZ 3.26Å; D623-K671 PolarHBondContact OD1-NZ 3.2Å; D623-K671 WeakPolarHBondContact OD2-CE 3.32Å; D623-K671 IonicContact OD2-NZ 2.97Å; D623-K671 PolarHBondContact OD2-NZ 3.18Å; Y667-K671 HydrophobicContact CD1-CG 4.49Å; Y667-K671 HydrophobicContact CD2-CG 4.16Å; Y667-K671 HydrophobicContact CE1-CG 4.03Å; Y667-K671 HydrophobicContact CE2-CD 3.84Å; Y667-K671 HydrophobicContact CE2-CG 3.68Å; Y667-K671 WeakPolarHBondContact O-CG 3.45Å; Y667-K671 PolarHBondContact O-N 3.47Å; L668-K671 PolarHBondContact O-N 3.17Å; L669-K671 PolarHBondContact O-N 3.02Å
672	N	95.8	Very high	96.5	Very high	72 Å²	72	31.9 Å²	31.9	39%	0.385	17%	0.165	S	C	.	.	H	α-helix	trans	-86.5	-28.7	-170.2	-67.1	-77.5	0	0	0	113.1	A599 F601 L668	A599-N672 PolarHBondContact O-ND2 3.12Å; F601-N672 HydrophobicContact CD2-CB 4.39Å; F601-N672 HydrophobicContact CE1-CB 4.28Å; F601-N672 HydrophobicContact CE2-CB 3.55Å; F601-N672 HydrophobicContact CZ-CB 3.49Å; F601-N672 VanDerWaalsContact CZ-CB 3.49Å; L668-N672 VanDerWaalsContact O-CB 3.31Å; L668-N672 WeakPolarHBondContact O-CB 3.38Å; L668-N672 PolarHBondContact O-N 3.43Å; L668-N672 PolarHBondContact O-ND2 3.25Å
673	L	95.8	Very high	96.4	Very high	16 Å²	16	32.3 Å²	32.3	8%	0.084	17%	0.167	C	C	.	.	H	α-helix	trans	-99.2	-8.7	179.9	-49.4	-174.1	0	0	0	113.3	F601 L669 L675 F876 A879	F601-L673 HydrophobicContact CE2-CD2 4.47Å; F601-L673 HydrophobicContact CZ-CD2 4.13Å; F601-L673 HydrophobicContact CZ-CG 4.39Å; L669-L673 HydrophobicContact CB-CD1 4.33Å; L669-L673 HydrophobicContact CD2-CD1 3.57Å; L669-L673 HydrophobicContact CD2-CG 4.28Å; L669-L673 WeakPolarHBondContact O-CB 3.41Å; L669-L673 WeakPolarHBondContact O-CG 3.39Å; L669-L673 PolarHBondContact O-N 3.01Å; L673-L675 HydrophobicContact CB-CD2 4.17Å; L673-F876 HydrophobicContact CB-CD1 4.24Å; L673-F876 HydrophobicContact CB-CG 4.4Å; L673-F876 HydrophobicContact CD1-CB 4Å; L673-F876 HydrophobicContact CD1-CD2 4.05Å; L673-F876 HydrophobicContact CD1-CG 3.95Å; L673-F876 HydrophobicContact CD2-CB 4.07Å; L673-F876 HydrophobicContact CG-CB 4.43Å; L673-A879 HydrophobicContact CD1-CB 4.33Å; L673-A879 HydrophobicContact CD2-CB 4.1Å
674	G	94	Very high	96.4	Very high	20 Å²	20	32.3 Å²	32.3	21%	0.206	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	51	180	0	0	0	0	0	112.3	Y670 S676 N677	Y670-G674 PolarHBondContact O-N 2.96Å; G674-S676 PolarHBondContact O-N 3.45Å; G674-S676 VanDerWaalsContact O-N 3.12Å; G674-N677 WeakPolarHBondContact O-CB 3.46Å; G674-N677 PolarHBondContact O-N 2.83Å; G674-N677 VanDerWaalsContact O-N 3.08Å; G674-N677 PolarHBondContact O-ND2 3.05Å
675	L	94.7	Very high	96.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-60.1	-22.7	-172.6	-66.4	-178.4	0	0	0	114.2	L669 Y670 L673 N677 Y678 L679 I684 L801 F876	L669-L675 HydrophobicContact CB-CD1 4.02Å; Y670-L675 HydrophobicContact CD2-CB 4.29Å; Y670-L675 PolarHBondContact O-N 3.29Å; L673-L675 HydrophobicContact CB-CD2 4.17Å; L675-N677 PolarHBondContact O-N 3.43Å; L675-N677 VanDerWaalsContact O-N 3.12Å; L675-Y678 PolarHBondContact O-N 3.32Å; L675-L679 PolarHBondContact O-N 3.17Å; L675-I684 HydrophobicContact CB-CD1 4.27Å; L675-L801 HydrophobicContact CD1-CD1 4.13Å; L675-L801 HydrophobicContact CD1-CD2 4.37Å; L675-L801 HydrophobicContact CD2-CD1 4.23Å; L675-L801 HydrophobicContact CD2-CD2 4.19Å; L675-F876 HydrophobicContact CD2-CE1 4.32Å; L675-F876 HydrophobicContact CD2-CZ 4.22Å
676	S	93.8	Very high	96.4	Very high	60 Å²	60	32.3 Å²	32.3	42%	0.42	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-60.8	-16.3	174.3	52.2	0	0	0	0	114.1	G674 Y678	G674-S676 PolarHBondContact O-N 3.45Å; G674-S676 VanDerWaalsContact O-N 3.12Å; S676-Y678 VanDerWaalsContact C-N 3.33Å
677	N	93.5	Very high	96.4	Very high	121 Å²	121	32.2 Å²	32.2	65%	0.647	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-80.9	-14.9	173	-60.4	-57.9	0	0	0	113.3	G674 L675	G674-N677 WeakPolarHBondContact O-CB 3.46Å; G674-N677 PolarHBondContact O-N 2.83Å; G674-N677 VanDerWaalsContact O-N 3.08Å; G674-N677 PolarHBondContact O-ND2 3.05Å; L675-N677 PolarHBondContact O-N 3.43Å; L675-N677 VanDerWaalsContact O-N 3.12Å
678	Y	94.9	Very high	96.5	Very high	74 Å²	74	32.1 Å²	32.1	29%	0.29	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-37.9	-170.2	-58.9	-88.3	0	0	0	112.6	L675 S676 Y786 F876	L675-Y678 PolarHBondContact O-N 3.32Å; S676-Y678 VanDerWaalsContact C-N 3.33Å; Y678-Y786 AromaticContact CD1-CD1 3.76Å; Y678-Y786 HydrophobicContact CD1-CD1 3.76Å; Y678-Y786 AromaticContact CD1-CE1 3.94Å; Y678-Y786 HydrophobicContact CD1-CE1 3.94Å; Y678-Y786 HydrophobicContact CG-CE1 4.46Å; Y678-Y786 PolarHBondContact O-OH 3.46Å; Y678-Y786 VanDerWaalsContact O-OH 3.09Å; Y678-F876 HydrophobicContact CD1-CE1 4.09Å; Y678-F876 AromaticContact CD2-CE1 3.73Å; Y678-F876 HydrophobicContact CD2-CE1 3.73Å; Y678-F876 AromaticContact CE1-CE1 3.98Å; Y678-F876 HydrophobicContact CE1-CE1 3.98Å; Y678-F876 HydrophobicContact CE2-CD1 4.07Å; Y678-F876 AromaticContact CE2-CE1 3.6Å; Y678-F876 HydrophobicContact CE2-CE1 3.6Å; Y678-F876 AromaticContact CG-CE1 3.97Å; Y678-F876 HydrophobicContact CG-CE1 3.97Å; Y678-F876 AromaticContact CZ-CE1 3.73Å
679	L	96.7	Very high	96.5	Very high	8 Å²	8	32.1 Å²	32.1	4%	0.042	17%	0.166	C	C	.	.	S	Bend	trans	-118.1	156.6	-176	-63.8	172.9	0	0	0	110.8	L675 E683 I684 H794 L797 L798 L801	L675-L679 PolarHBondContact O-N 3.17Å; L679-E683 HydrophobicContact CB-CB 4.35Å; L679-I684 HydrophobicContact CB-CD1 4.29Å; L679-I684 HydrophobicContact CB-CG1 3.86Å; L679-I684 HydrophobicContact CD1-CG1 4.42Å; L679-H794 HydrophobicContact CD2-CB 4.18Å; L679-L797 HydrophobicContact CD1-CD2 4.3Å; L679-L797 HydrophobicContact CD2-CD2 3.96Å; L679-L797 HydrophobicContact CD2-CG 4.48Å; L679-L797 HydrophobicContact CG-CD2 4.03Å; L679-L798 HydrophobicContact CD1-CD2 3.84Å; L679-L798 HydrophobicContact CD1-CG 4.39Å; L679-L798 HydrophobicContact CD2-CG 4.28Å; L679-L801 HydrophobicContact CD1-CD1 3.69Å
680	E	95.9	Very high	96.5	Very high	83 Å²	83	32.1 Å²	32.1	39%	0.388	17%	0.166	S	C	.	.			trans	-75	149.9	171.9	-62.4	178	-140.4	0	0	111	I682 E683 I684 R754	E680-I682 HydrophobicContact CB-CG2 4.19Å; E680-I682 PolarHBondContact O-N 3.12Å; E680-E683 HydrophobicContact CB-CG 4.15Å; E680-E683 PolarHBondContact N-OE2 2.99Å; E680-E683 WeakPolarHBondContact O-CA 3.46Å; E680-E683 WeakPolarHBondContact O-CB 3.36Å; E680-E683 PolarHBondContact O-N 2.92Å; E680-I684 PolarHBondContact O-N 3.36Å; E680-I684 VanDerWaalsContact O-N 3.12Å; E680-R754 IonicContact OE1-CZ 3.03Å; E680-R754 IonicContact OE1-NH1 2.93Å; E680-R754 IonicContact OE1-NH2 2.62Å; E680-R754 PolarHBondContact OE1-NH2 2.65Å; E680-R754 IonicContact OE2-CZ 3.82Å; E680-R754 VanDerWaalsContact OE2-CZ 3.26Å; E680-R754 IonicContact OE2-NH1 2.95Å; E680-R754 PolarHBondContact OE2-NH1 2.88Å; E680-R754 IonicContact OE2-NH2 3.81Å; E680-R754 PolarHBondContact OE2-NH2 2.85Å
681	D	96	Very high	96.6	Very high	75 Å²	75	30.2 Å²	30.2	40%	0.401	16%	0.159	S	C	.	.	H	α-helix	trans	-55.6	-32.4	-179	-68.2	-18.5	0	0	0	113.2	Y630 E683 L685	Y630-D681 HydrophobicContact CE2-CB 4.49Å; Y630-D681 WeakPolarHBondContact OH-CB 3.34Å; D681-E683 VanDerWaalsContact C-N 3.32Å; D681-L685 WeakPolarHBondContact O-CB 3.43Å; D681-L685 PolarHBondContact O-N 2.92Å
682	I	96.8	Very high	96.8	Very high	10 Å²	10	26.1 Å²	26.1	5%	0.051	14%	0.141	C	C	.	.	H	α-helix	trans	-69.9	-32.1	177.6	-167.9	171.3	0	0	0	111.5	Y630 E680 A686 F747 D751 M755	Y630-I682 VanDerWaalsContact OH-CA 3.24Å; Y630-I682 WeakPolarHBondContact OH-CA 3.47Å; Y630-I682 PolarHBondContact OH-N 3.4Å; E680-I682 HydrophobicContact CB-CG2 4.19Å; E680-I682 PolarHBondContact O-N 3.12Å; I682-A686 VanDerWaalsContact O-CB 3.31Å; I682-A686 WeakPolarHBondContact O-CB 3.33Å; I682-A686 PolarHBondContact O-N 2.94Å; I682-F747 HydrophobicContact CD1-CE2 4.05Å; I682-F747 HydrophobicContact CG1-CE2 4.3Å; I682-D751 HydrophobicContact CD1-CB 4.03Å; I682-M755 HydrophobicContact CG1-SD 4.18Å
683	E	98.1	Very high	96.9	Very high	10 Å²	10	22.7 Å²	22.7	5%	0.047	12%	0.123	C	C	.	.	H	α-helix	trans	-73.2	-39	177.8	-63.7	171.9	157.5	0	0	110.5	L679 E680 D681 A686 L687 R754 L758 H794 L798	L679-E683 HydrophobicContact CB-CB 4.35Å; E680-E683 HydrophobicContact CB-CG 4.15Å; E680-E683 PolarHBondContact N-OE2 2.99Å; E680-E683 WeakPolarHBondContact O-CA 3.46Å; E680-E683 WeakPolarHBondContact O-CB 3.36Å; E680-E683 PolarHBondContact O-N 2.92Å; D681-E683 VanDerWaalsContact C-N 3.32Å; E683-A686 PolarHBondContact O-N 3.5Å; E683-L687 WeakPolarHBondContact O-CB 3.42Å; E683-L687 PolarHBondContact O-N 3.46Å; E683-R754 IonicContact OE1-NH2 2.7Å; E683-R754 PolarHBondContact OE1-NH2 3.37Å; E683-L758 HydrophobicContact CG-CD1 3.96Å; E683-L758 HydrophobicContact CG-CD2 4.27Å; E683-H794 IonicContact OE1-ND1 3.65Å; E683-H794 PolarHBondContact OE1-ND1 3.2Å; E683-H794 IonicContact OE2-CE1 2.85Å; E683-H794 IonicContact OE2-CG 2.84Å; E683-H794 IonicContact OE2-ND1 3.4Å; E683-H794 PolarHBondContact OE2-ND1 3.41Å; E683-L798 HydrophobicContact CB-CD1 4.23Å; E683-L798 HydrophobicContact CB-CD2 4.33Å; E683-L798 HydrophobicContact CG-CD1 4.47Å
684	I	98.3	Very high	97	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-68.3	-41.9	175.3	-55.2	170.7	0	0	0	110.4	F626 Y670 L675 L679 E680 A686 L687 F688	F626-I684 HydrophobicContact CZ-CB 4.07Å; F626-I684 HydrophobicContact CZ-CG2 3.79Å; Y670-I684 HydrophobicContact CD2-CD1 4.09Å; Y670-I684 HydrophobicContact CD2-CG2 3.78Å; Y670-I684 HydrophobicContact CE2-CD1 4.07Å; Y670-I684 HydrophobicContact CE2-CG2 4.32Å; Y670-I684 HydrophobicContact CG-CG2 4.49Å; L675-I684 HydrophobicContact CB-CD1 4.27Å; L679-I684 HydrophobicContact CB-CD1 4.29Å; L679-I684 HydrophobicContact CB-CG1 3.86Å; L679-I684 HydrophobicContact CD1-CG1 4.42Å; E680-I684 PolarHBondContact O-N 3.36Å; E680-I684 VanDerWaalsContact O-N 3.12Å; I684-A686 VanDerWaalsContact C-N 3.34Å; I684-L687 PolarHBondContact O-N 3.37Å; I684-F688 WeakPolarHBondContact O-CB 3.49Å; I684-F688 PolarHBondContact O-N 3.45Å
685	L	98.3	Very high	97.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.9	-44	172.8	179.7	66.9	0	0	0	111.2	F621 F626 Y630 D681 F688 V689 F744 F747 M755	F621-L685 HydrophobicContact CD1-CD1 4.46Å; F621-L685 HydrophobicContact CE1-CD1 3.7Å; F621-L685 HydrophobicContact CZ-CD1 4.47Å; F626-L685 HydrophobicContact CB-CD1 4.14Å; F626-L685 HydrophobicContact CD1-CB 4.37Å; F626-L685 HydrophobicContact CD1-CD1 4.37Å; F626-L685 HydrophobicContact CD2-CD1 3.68Å; F626-L685 HydrophobicContact CE1-CB 4.11Å; F626-L685 HydrophobicContact CE2-CB 4.32Å; F626-L685 HydrophobicContact CE2-CD1 4.12Å; F626-L685 HydrophobicContact CG-CD1 3.83Å; F626-L685 HydrophobicContact CZ-CB 4.08Å; Y630-L685 HydrophobicContact CD2-CD2 3.77Å; Y630-L685 HydrophobicContact CE2-CB 4.43Å; Y630-L685 HydrophobicContact CE2-CD2 3.81Å; Y630-L685 HydrophobicContact CG-CD2 4.23Å; D681-L685 WeakPolarHBondContact O-CB 3.43Å; D681-L685 PolarHBondContact O-N 2.92Å; L685-F688 PolarHBondContact O-N 3.3Å; L685-V689 HydrophobicContact CD1-CG2 4.2Å; L685-V689 WeakPolarHBondContact O-CG2 3.2Å; L685-V689 PolarHBondContact O-N 3.47Å; L685-F744 HydrophobicContact CD2-CE1 4.18Å; L685-F747 HydrophobicContact CD2-CZ 3.78Å; L685-M755 HydrophobicContact CB-CE 4.33Å; L685-M755 HydrophobicContact CD2-CE 3.91Å; L685-M755 HydrophobicContact CG-CE 3.67Å
686	A	98.3	Very high	97.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.6	-43.7	177.1	0	0	0	0	0	111.8	I682 E683 I684 S690 M755 L758 I762	I682-A686 VanDerWaalsContact O-CB 3.31Å; I682-A686 WeakPolarHBondContact O-CB 3.33Å; I682-A686 PolarHBondContact O-N 2.94Å; E683-A686 PolarHBondContact O-N 3.5Å; I684-A686 VanDerWaalsContact C-N 3.34Å; A686-S690 WeakPolarHBondContact O-CB 3.49Å; A686-S690 PolarHBondContact O-N 2.96Å; A686-S690 PolarHBondContact O-OG 3.24Å; A686-M755 HydrophobicContact CB-CE 4.04Å; A686-M755 HydrophobicContact CB-SD 3.61Å; A686-L758 HydrophobicContact CB-CB 3.6Å; A686-L758 HydrophobicContact CB-CD1 4Å; A686-L758 HydrophobicContact CB-CG 4.42Å; A686-I762 HydrophobicContact CB-CD1 4.03Å
687	L	98.6	Very high	97.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59.6	-50.1	175.7	-179.2	64	0	0	0	111.2	E683 I684 V689 S690 C691 I762 L798 L801 M802	E683-L687 WeakPolarHBondContact O-CB 3.42Å; E683-L687 PolarHBondContact O-N 3.46Å; I684-L687 PolarHBondContact O-N 3.37Å; L687-V689 PolarHBondContact O-N 3.43Å; L687-S690 WeakPolarHBondContact O-CB 3.37Å; L687-S690 PolarHBondContact O-N 3.31Å; L687-C691 PolarHBondContact O-N 3.06Å; L687-C691 PolarHBondContact O-SG 3.03Å; L687-I762 HydrophobicContact CB-CD1 4.25Å; L687-I762 HydrophobicContact CD1-CG2 3.81Å; L687-L798 HydrophobicContact CB-CD2 4.01Å; L687-L798 HydrophobicContact CD1-CD2 4.49Å; L687-L798 HydrophobicContact CD2-CD2 4.28Å; L687-L798 HydrophobicContact CG-CD2 4.49Å; L687-L801 HydrophobicContact CD1-CB 4.46Å; L687-L801 HydrophobicContact CD2-CB 3.85Å; L687-L801 HydrophobicContact CD2-CD1 3.92Å; L687-M802 HydrophobicContact CD1-CB 3.96Å; L687-M802 HydrophobicContact CD1-SD 4.22Å
688	F	98.6	Very high	97.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.3	-46.4	-178.3	-170.8	-97.3	0	0	0	112.4	V617 M620 F621 M624 S663 C666 I684 L685 S690 C691 M692	V617-F688 HydrophobicContact CG1-CE1 4.31Å; M620-F688 HydrophobicContact CB-CE2 4.32Å; M620-F688 HydrophobicContact CB-CZ 3.83Å; M620-F688 HydrophobicContact CE-CE2 4.42Å; M620-F688 HydrophobicContact CE-CZ 3.97Å; M620-F688 HydrophobicContact SD-CE2 4.13Å; M620-F688 HydrophobicContact SD-CZ 4.13Å; F621-F688 HydrophobicContact CD2-CD1 4.29Å; F621-F688 AromaticContact CD2-CE1 3.67Å; F621-F688 HydrophobicContact CD2-CE1 3.67Å; F621-F688 AromaticContact CE2-CD1 3.75Å; F621-F688 HydrophobicContact CE2-CD1 3.75Å; F621-F688 AromaticContact CE2-CE1 3.4Å; F621-F688 HydrophobicContact CE2-CE1 3.4Å; F621-F688 AromaticContact CZ-CD1 3.94Å; F621-F688 HydrophobicContact CZ-CD1 3.94Å; F621-F688 HydrophobicContact CZ-CE1 4.08Å; M624-F688 HydrophobicContact CE-CD1 4Å; M624-F688 HydrophobicContact CE-CD2 3.57Å; M624-F688 HydrophobicContact CE-CE1 4.04Å; M624-F688 HydrophobicContact CE-CE2 3.61Å; M624-F688 HydrophobicContact CE-CG 3.76Å; M624-F688 HydrophobicContact CE-CZ 3.84Å; M624-F688 HydrophobicContact SD-CD2 4.43Å; S663-F688 VanDerWaalsContact O-CE2 3.23Å; S663-F688 WeakPolarHBondContact O-CE2 3.39Å; C666-F688 HydrophobicContact CB-CD2 4.21Å; I684-F688 WeakPolarHBondContact O-CB 3.49Å; I684-F688 PolarHBondContact O-N 3.45Å; L685-F688 PolarHBondContact O-N 3.3Å; F688-S690 VanDerWaalsContact C-N 3.3Å; F688-S690 PolarHBondContact O-N 3.37Å; F688-C691 WeakPolarHBondContact O-CB 3.5Å; F688-C691 PolarHBondContact O-N 2.62Å; F688-M692 HydrophobicContact CD1-SD 4.1Å; F688-M692 HydrophobicContact CE1-CG 4.47Å; F688-M692 HydrophobicContact CE1-SD 3.82Å; F688-M692 WeakPolarHBondContact O-CG 3.35Å; F688-M692 PolarHBondContact O-N 3.49Å
689	V	98.4	Very high	96.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-65.8	-35.7	176.6	177.4	0	0	0	0	111.1	F621 F640 L685 L687 M692 C693 I743 F744 M755 M759	F621-V689 HydrophobicContact CZ-CG2 4.01Å; F640-V689 HydrophobicContact CE1-CG1 4.28Å; F640-V689 HydrophobicContact CZ-CG1 3.87Å; L685-V689 HydrophobicContact CD1-CG2 4.2Å; L685-V689 WeakPolarHBondContact O-CG2 3.2Å; L685-V689 PolarHBondContact O-N 3.47Å; L687-V689 PolarHBondContact O-N 3.43Å; V689-M692 WeakPolarHBondContact O-CB 3.37Å; V689-M692 PolarHBondContact O-N 3.49Å; V689-C693 PolarHBondContact O-N 3.39Å; V689-C693 PolarHBondContact O-SG 2.84Å; V689-I743 HydrophobicContact CG2-CD1 3.96Å; V689-F744 HydrophobicContact CB-CZ 4.46Å; V689-F744 HydrophobicContact CG1-CZ 4.14Å; V689-F744 HydrophobicContact CG2-CE1 4.46Å; V689-F744 HydrophobicContact CG2-CZ 4.11Å; V689-M755 HydrophobicContact CG2-CE 4.42Å; V689-M759 HydrophobicContact CG1-CE 3.78Å; V689-M759 HydrophobicContact CG1-SD 4.17Å
690	S	98.6	Very high	96.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64.8	-42.8	175.2	-59.4	0	0	0	0	111.6	A686 L687 F688 M692 C693 H694 M759 I762	A686-S690 WeakPolarHBondContact O-CB 3.49Å; A686-S690 PolarHBondContact O-N 2.96Å; A686-S690 PolarHBondContact O-OG 3.24Å; L687-S690 WeakPolarHBondContact O-CB 3.37Å; L687-S690 PolarHBondContact O-N 3.31Å; F688-S690 VanDerWaalsContact C-N 3.3Å; F688-S690 PolarHBondContact O-N 3.37Å; S690-M692 PolarHBondContact O-N 2.88Å; S690-C693 CarbonylContact O-C 3.52Å; S690-C693 PolarHBondContact O-N 3.34Å; S690-H694 WeakPolarHBondContact O-CB 3.37Å; S690-H694 PolarHBondContact O-N 2.83Å; S690-M759 WeakPolarHBondContact OG-CA 3.26Å; S690-I762 VanDerWaalsContact CB-CG2 3.4Å
691	C	98.6	Very high	96.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-54.9	-40.4	173.6	-67.6	0	0	0	0	112	V662 S663 C666 L687 F688 C693 H694 M802	V662-C691 HydrophobicContact CG1-CB 3.89Å; S663-C691 VanDerWaalsContact OG-C 3.31Å; C666-C691 HydrophobicContact CB-CB 4.49Å; L687-C691 PolarHBondContact O-N 3.06Å; L687-C691 PolarHBondContact O-SG 3.03Å; F688-C691 WeakPolarHBondContact O-CB 3.5Å; F688-C691 PolarHBondContact O-N 2.62Å; C691-C693 VanDerWaalsContact C-N 3.27Å; C691-C693 PolarHBondContact O-N 3.28Å; C691-H694 PolarHBondContact O-ND1 3.2Å; C691-M802 HydrophobicContact CB-CE 4.43Å; C691-M802 HydrophobicContact CB-SD 4.48Å; C691-M802 PolarHBondContact SG-SD 3.48Å
692	M	98.4	Very high	95.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-67.6	-26.4	177.5	-65.4	175.5	58.6	0	0	113.2	V617 F621 F640 V644 Y648 S663 F688 V689 S690	V617-M692 HydrophobicContact CG1-CE 3.66Å; V617-M692 HydrophobicContact CG1-SD 3.79Å; F621-M692 HydrophobicContact CE2-SD 3.84Å; F621-M692 HydrophobicContact CZ-SD 4.38Å; F640-M692 HydrophobicContact CD1-CE 4.49Å; F640-M692 HydrophobicContact CE1-CE 4.02Å; V644-M692 HydrophobicContact CG1-CB 4.48Å; V644-M692 VanDerWaalsContact CG1-O 3.32Å; V644-M692 WeakPolarHBondContact CG1-O 3.43Å; Y648-M692 VanDerWaalsContact CE2-O 3.24Å; Y648-M692 WeakPolarHBondContact CE2-O 3.45Å; Y648-M692 PolarHBondContact OH-O 3.37Å; S663-M692 VanDerWaalsContact OG-CA 3.29Å; S663-M692 WeakPolarHBondContact OG-CA 3.41Å; S663-M692 WeakPolarHBondContact OG-CG 3.15Å; S663-M692 PolarHBondContact OG-N 3.45Å; S663-M692 VanDerWaalsContact OG-N 3.12Å; F688-M692 HydrophobicContact CD1-SD 4.1Å; F688-M692 HydrophobicContact CE1-CG 4.47Å; F688-M692 HydrophobicContact CE1-SD 3.82Å; F688-M692 WeakPolarHBondContact O-CG 3.35Å; F688-M692 PolarHBondContact O-N 3.49Å; V689-M692 WeakPolarHBondContact O-CB 3.37Å; V689-M692 PolarHBondContact O-N 3.49Å; S690-M692 PolarHBondContact O-N 2.88Å
693	C	98.1	Very high	95.3	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-113.1	-8.3	-168.6	-66.8	0	0	0	0	114.8	V689 S690 C691 D695 L696 A732 I763	V689-C693 PolarHBondContact O-N 3.39Å; V689-C693 PolarHBondContact O-SG 2.84Å; S690-C693 CarbonylContact O-C 3.52Å; S690-C693 PolarHBondContact O-N 3.34Å; C691-C693 VanDerWaalsContact C-N 3.27Å; C691-C693 PolarHBondContact O-N 3.28Å; C693-D695 PolarHBondContact O-N 2.96Å; C693-D695 VanDerWaalsContact O-N 3.08Å; C693-L696 HydrophobicContact CB-CD1 3.71Å; C693-L696 HydrophobicContact CB-CG 4.37Å; C693-L696 WeakPolarHBondContact O-CG 3.47Å; C693-L696 PolarHBondContact O-N 3.26Å; C693-A732 HydrophobicContact CB-CB 3.83Å; C693-I763 HydrophobicContact CB-CD1 4.24Å
694	H	97.5	Very high	94.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-21.6	-165.1	77.1	-72.4	0	0	0	115.4	H658 S690 C691 H728 I763 T766 M802 D806	H658-H694 AromaticContact CD2-CE1 3.92Å; H658-H694 AromaticContact CD2-NE2 3.92Å; H658-H694 AromaticContact NE2-CE1 3.59Å; H658-H694 AromaticContact NE2-NE2 3.29Å; H658-H694 PolarHBondContact NE2-NE2 3.1Å; S690-H694 WeakPolarHBondContact O-CB 3.37Å; S690-H694 PolarHBondContact O-N 2.83Å; C691-H694 PolarHBondContact O-ND1 3.2Å; H694-H728 WeakPolarHBondContact O-CB 3.21Å; H694-H728 PolarHBondContact O-CD2 3.31Å; H694-I763 HydrophobicContact CB-CG1 4.36Å; H694-T766 HydrophobicContact CB-CG2 3.91Å; H694-M802 HydrophobicContact CB-CE 4.28Å; H694-D806 IonicContact NE2-OD1 3.2Å; H694-D806 PolarHBondContact NE2-OD1 3.41Å
695	D	97.7	Very high	94.2	Very high	12 Å²	12	18 Å²	18	6%	0.064	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	23	-178.3	-83.6	-22.3	0	0	0	112.7	Y648 H654 H658 C693 D697 H698 H728	Y648-D695 HydrophobicContact CE1-CB 3.69Å; Y648-D695 VanDerWaalsContact CE1-O 3.25Å; Y648-D695 WeakPolarHBondContact CE1-O 3.29Å; Y648-D695 PolarHBondContact OH-N 3.4Å; H654-D695 IonicContact CD2-OD2 2.72Å; H654-D695 PolarHBondContact CD2-OD2 3.28Å; H658-D695 IonicContact CD2-OD2 3.01Å; H658-D695 PolarHBondContact CD2-OD2 2.91Å; H658-D695 IonicContact NE2-OD2 3.37Å; H658-D695 PolarHBondContact NE2-OD2 3.43Å; C693-D695 PolarHBondContact O-N 2.96Å; C693-D695 VanDerWaalsContact O-N 3.08Å; D695-D697 PolarHBondContact O-N 3.3Å; D695-H698 HydrophobicContact CB-CB 4.33Å; D695-H698 WeakPolarHBondContact O-CB 3.45Å; D695-H698 PolarHBondContact O-N 3.5Å; D695-H698 VanDerWaalsContact O-N 3.09Å; D695-H728 IonicContact OD1-CD2 3.04Å; D695-H728 IonicContact OD1-NE2 2.96Å
696	L	95.1	Very high	93.7	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	134.5	179.7	-86.3	170.5	0	0	0	112.7	V644 Y648 C693 H698 H728 Q731 A732 I735	V644-L696 HydrophobicContact CG1-CD2 4.09Å; V644-L696 WeakPolarHBondContact O-CD2 3.24Å; Y648-L696 HydrophobicContact CD2-CD2 3.73Å; Y648-L696 HydrophobicContact CE2-CD2 3.56Å; Y648-L696 HydrophobicContact CE2-CG 3.93Å; Y648-L696 HydrophobicContact CG-CD2 4.48Å; C693-L696 HydrophobicContact CB-CD1 3.71Å; C693-L696 HydrophobicContact CB-CG 4.37Å; C693-L696 WeakPolarHBondContact O-CG 3.47Å; C693-L696 PolarHBondContact O-N 3.26Å; L696-H698 PolarHBondContact O-N 3.1Å; L696-H728 PolarHBondContact O-CE1 2.94Å; L696-H728 PolarHBondContact O-ND1 2.96Å; L696-Q731 HydrophobicContact CB-CB 3.95Å; L696-Q731 HydrophobicContact CD1-CB 4.37Å; L696-A732 HydrophobicContact CD1-CB 4.07Å; L696-I735 HydrophobicContact CD1-CD1 3.87Å; L696-I735 HydrophobicContact CD2-CD1 4.18Å
697	D	93.1	Very high	93	Very high	12 Å²	12	22.8 Å²	22.8	6%	0.064	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	21.5	-175.8	-163.6	55.7	0	0	0	114.6	G647 R649 D695 R699 H727 Q731	G647-D697 PolarHBondContact O-N 2.88Å; R649-D697 IonicContact CZ-OD1 3.97Å; R649-D697 IonicContact NE-OD1 3.33Å; R649-D697 PolarHBondContact NE-OD1 3.38Å; R649-D697 IonicContact NH2-OD1 3.98Å; R649-D697 PolarHBondContact NH2-OD1 3.28Å; R649-D697 IonicContact NH2-OD2 3.58Å; D695-D697 PolarHBondContact O-N 3.3Å; D697-R699 WeakPolarHBondContact O-CG 3.48Å; D697-R699 PolarHBondContact O-N 3.26Å; D697-R699 IonicContact OD2-CZ 2.79Å; D697-R699 IonicContact OD2-NE 3.92Å; D697-R699 IonicContact OD2-NH2 2.81Å; D697-R699 PolarHBondContact OD2-NH2 3.02Å; D697-H727 IonicContact OD2-CD2 2.78Å; D697-H727 IonicContact OD2-CE1 2.77Å; D697-H727 IonicContact OD2-NE2 2.64Å; D697-H727 PolarHBondContact OD2-NE2 3.47Å; D697-Q731 HydrophobicContact CB-CG 3.99Å
698	H	93.1	Very high	92.3	Very high	13 Å²	13	26.1 Å²	26.1	6%	0.06	15%	0.151	C	C	.	.			trans	-60.8	133.9	176.8	-166.4	-86	0	0	0	112	R649 H654 D695 L696 G700 H728 E827	R649-H698 WeakPolarHBondContact CB-O 3.42Å; R649-H698 WeakPolarHBondContact CD-O 3.47Å; H654-H698 HydrophobicContact CB-CB 4.06Å; H654-H698 VanDerWaalsContact CB-ND1 3.33Å; H654-H698 WeakPolarHBondContact CB-ND1 3.32Å; H654-H698 AromaticContact CG-CE1 3.7Å; H654-H698 AromaticContact CG-ND1 3.69Å; H654-H698 AromaticContact ND1-CE1 3.56Å; H654-H698 AromaticContact ND1-ND1 3.89Å; D695-H698 HydrophobicContact CB-CB 4.33Å; D695-H698 WeakPolarHBondContact O-CB 3.45Å; D695-H698 PolarHBondContact O-N 3.5Å; D695-H698 VanDerWaalsContact O-N 3.09Å; L696-H698 PolarHBondContact O-N 3.1Å; H698-G700 PolarHBondContact ND1-N 3.01Å; H698-G700 VanDerWaalsContact ND1-N 3.12Å; H698-H728 AromaticContact CD2-CE1 3.85Å; H698-H728 AromaticContact CD2-NE2 3.68Å; H698-E827 IonicContact CE1-OE1 3.03Å; H698-E827 IonicContact ND1-OE1 3.47Å
699	R	89.1	Confident	91.5	Very high	121 Å²	121	27.8 Å²	27.8	46%	0.457	16%	0.163	S	C	.	.			trans	-103.3	6.5	-168.4	-59.7	-173.7	178.3	-136.8	-4.9	114.4	D697 T701	D697-R699 WeakPolarHBondContact O-CG 3.48Å; D697-R699 PolarHBondContact O-N 3.26Å; D697-R699 IonicContact OD2-CZ 2.79Å; D697-R699 IonicContact OD2-NE 3.92Å; D697-R699 IonicContact OD2-NH2 2.81Å; D697-R699 PolarHBondContact OD2-NH2 3.02Å; R699-T701 VanDerWaalsContact C-N 3.33Å
700	G	89.8	Confident	90.7	Very high	9 Å²	9	36.1 Å²	36.1	9%	0.093	20%	0.201	C	C	.	.	S	Bend	trans	73.4	24.6	-173.8	0	0	0	0	0	113.8	H698 E827	H698-G700 PolarHBondContact ND1-N 3.01Å; H698-G700 VanDerWaalsContact ND1-N 3.12Å; G700-E827 VanDerWaalsContact CA-OE1 3.27Å; G700-E827 WeakPolarHBondContact CA-OE1 3.44Å
701	T	89.5	Confident	89.8	Confident	8 Å²	8	37.1 Å²	37.1	5%	0.049	21%	0.208	C	C	.	.			trans	-139.3	140.5	-179.2	51.8	0	0	0	0	111.1	R699 F705 Q706 Q831	R699-T701 VanDerWaalsContact C-N 3.33Å; T701-F705 HydrophobicContact CG2-CD1 3.75Å; T701-F705 HydrophobicContact CG2-CE1 3.9Å; T701-F705 HydrophobicContact CG2-CG 4.21Å; T701-F705 HydrophobicContact CG2-CZ 4.47Å; T701-Q706 PolarHBondContact OG1-NE2 3.07Å; T701-Q831 VanDerWaalsContact CA-OE1 3.26Å; T701-Q831 HydrophobicContact CG2-CB 4.46Å; T701-Q831 HydrophobicContact CG2-CG 4.15Å
702	N	88.7	Confident	88.9	Confident	54 Å²	54	43 Å²	43	29%	0.289	24%	0.244	S	C	.	.			trans	-84	169.8	-175.8	68.7	32	0	0	0	114.3	S704 F705 Q706 Q831	N702-S704 VanDerWaalsContact C-N 3.28Å; N702-S704 PolarHBondContact O-N 3.44Å; N702-S704 WeakPolarHBondContact OD1-CB 3.42Å; N702-S704 PolarHBondContact OD1-N 3.2Å; N702-S704 VanDerWaalsContact OD1-N 3.16Å; N702-F705 WeakPolarHBondContact O-CB 3.36Å; N702-F705 PolarHBondContact O-N 2.99Å; N702-F705 VanDerWaalsContact O-N 3.12Å; N702-F705 PolarHBondContact OD1-N 3.46Å; N702-Q706 PolarHBondContact O-N 3.46Å; N702-Q831 PolarHBondContact ND2-NE2 3Å; N702-Q831 VanDerWaalsContact ND2-NE2 3.18Å; N702-Q831 PolarHBondContact OD1-NE2 3.48Å
703	N	86.2	Confident	87.9	Confident	33 Å²	33	43.9 Å²	43.9	18%	0.176	25%	0.249	C	C	.	.	H	α-helix	trans	-54.1	-39	178.3	-79.3	-38	0	0	0	113.6	F705 Q706 V707 V723 M724 E725	N703-F705 VanDerWaalsContact C-N 3.35Å; N703-F705 PolarHBondContact O-N 2.92Å; N703-Q706 PolarHBondContact O-N 3.32Å; N703-V707 WeakPolarHBondContact O-CG2 3.46Å; N703-V707 PolarHBondContact O-N 2.9Å; N703-V723 PolarHBondContact OD1-N 3.21Å; N703-M724 WeakPolarHBondContact OD1-CB 3.19Å; N703-M724 WeakPolarHBondContact OD1-CG 3.45Å; N703-M724 PolarHBondContact OD1-N 3.29Å; N703-E725 PolarHBondContact ND2-OE1 3.44Å; N703-E725 PolarHBondContact ND2-OE2 2.93Å
704	S	86.4	Confident	87	Confident	90 Å²	90	44.7 Å²	44.7	63%	0.629	26%	0.255	S	S	*	.	H	α-helix	trans	-64.6	-40.1	179.3	-173.2	0	0	0	0	111.7	N702 A708	N702-S704 VanDerWaalsContact C-N 3.28Å; N702-S704 PolarHBondContact O-N 3.44Å; N702-S704 WeakPolarHBondContact OD1-CB 3.42Å; N702-S704 PolarHBondContact OD1-N 3.2Å; N702-S704 VanDerWaalsContact OD1-N 3.16Å; S704-A708 VanDerWaalsContact O-CB 3.27Å; S704-A708 WeakPolarHBondContact O-CB 3.36Å; S704-A708 PolarHBondContact O-N 3.49Å
705	F	86.8	Confident	85.8	Confident	26 Å²	26	48.2 Å²	48.2	11%	0.114	28%	0.284	C	S	.	.	H	α-helix	trans	-64.1	-44	175.8	-179.7	-89.3	0	0	0	111.6	T701 N702 N703 V707 A708 S709 Q831 L834 E835 M838	T701-F705 HydrophobicContact CG2-CD1 3.75Å; T701-F705 HydrophobicContact CG2-CE1 3.9Å; T701-F705 HydrophobicContact CG2-CG 4.21Å; T701-F705 HydrophobicContact CG2-CZ 4.47Å; N702-F705 WeakPolarHBondContact O-CB 3.36Å; N702-F705 PolarHBondContact O-N 2.99Å; N702-F705 VanDerWaalsContact O-N 3.12Å; N702-F705 PolarHBondContact OD1-N 3.46Å; N703-F705 VanDerWaalsContact C-N 3.35Å; N703-F705 PolarHBondContact O-N 2.92Å; F705-V707 VanDerWaalsContact C-N 3.32Å; F705-V707 PolarHBondContact O-N 3.44Å; F705-A708 PolarHBondContact O-N 3.08Å; F705-S709 VanDerWaalsContact O-CB 3.25Å; F705-S709 WeakPolarHBondContact O-CB 3.35Å; F705-S709 PolarHBondContact O-N 3.06Å; F705-S709 PolarHBondContact O-OG 3.03Å; F705-Q831 HydrophobicContact CD2-CG 4.12Å; F705-Q831 HydrophobicContact CG-CG 4.44Å; F705-L834 HydrophobicContact CE2-CB 4.44Å; F705-E835 HydrophobicContact CD2-CG 3.56Å; F705-E835 HydrophobicContact CE2-CG 3.72Å; F705-M838 HydrophobicContact CE2-SD 3.88Å; F705-M838 HydrophobicContact CZ-SD 3.79Å
706	Q	86.9	Confident	84.6	Confident	11 Å²	11	52.3 Å²	52.3	5%	0.051	31%	0.306	C	S	.	.	H	α-helix	trans	-58.9	-43.6	179.4	-64.5	-63	-24.4	0	0	111.9	T701 N702 N703 S709 Q710 S711 A714 M724	T701-Q706 PolarHBondContact OG1-NE2 3.07Å; N702-Q706 PolarHBondContact O-N 3.46Å; N703-Q706 PolarHBondContact O-N 3.32Å; Q706-S709 PolarHBondContact O-OG 3.05Å; Q706-Q710 PolarHBondContact O-N 3.47Å; Q706-S711 PolarHBondContact O-N 3.12Å; Q706-S711 VanDerWaalsContact O-N 3.09Å; Q706-S711 PolarHBondContact O-OG 3.27Å; Q706-S711 PolarHBondContact OE1-OG 2.98Å; Q706-A714 WeakPolarHBondContact O-CB 3.39Å; Q706-M724 HydrophobicContact CG-CG 4.16Å; Q706-M724 HydrophobicContact CG-SD 3.92Å
707	V	84.1	Confident	83.6	Confident	89 Å²	89	54.5 Å²	54.5	54%	0.539	31%	0.314	S	S	.	.	H	α-helix	trans	-69.7	-46.2	177.6	176.5	0	0	0	0	111.4	N703 F705 S709 Q710 A714 V723	N703-V707 WeakPolarHBondContact O-CG2 3.46Å; N703-V707 PolarHBondContact O-N 2.9Å; F705-V707 VanDerWaalsContact C-N 3.32Å; F705-V707 PolarHBondContact O-N 3.44Å; V707-S709 VanDerWaalsContact C-N 3.32Å; V707-S709 PolarHBondContact O-N 3.48Å; V707-Q710 PolarHBondContact O-N 2.93Å; V707-Q710 VanDerWaalsContact O-N 3.16Å; V707-A714 HydrophobicContact CG2-CB 4.44Å; V707-V723 HydrophobicContact CG2-CG2 4.42Å
708	A	83.5	Confident	81.7	Confident	69 Å²	69	58.8 Å²	58.8	57%	0.57	35%	0.345	S	S	*	.	H	α-helix	trans	-65.4	-34.1	-178.8	0	0	0	0	0	113	S704 F705 Q710	S704-A708 VanDerWaalsContact O-CB 3.27Å; S704-A708 WeakPolarHBondContact O-CB 3.36Å; S704-A708 PolarHBondContact O-N 3.49Å; F705-A708 PolarHBondContact O-N 3.08Å; A708-Q710 VanDerWaalsContact C-N 3.29Å
709	S	81.4	Confident	80	Confident	36 Å²	36	60.8 Å²	60.8	25%	0.252	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-2.7	177	60.9	0	0	0	0	114	F705 Q706 V707 S711	F705-S709 VanDerWaalsContact O-CB 3.25Å; F705-S709 WeakPolarHBondContact O-CB 3.35Å; F705-S709 PolarHBondContact O-N 3.06Å; F705-S709 PolarHBondContact O-OG 3.03Å; Q706-S709 PolarHBondContact O-OG 3.05Å; V707-S709 VanDerWaalsContact C-N 3.32Å; V707-S709 PolarHBondContact O-N 3.48Å; S709-S711 PolarHBondContact O-N 2.8Å
710	Q	81.4	Confident	78.4	Confident	175 Å²	175	64.7 Å²	64.7	82%	0.818	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	43.8	-174.5	-60.3	-176.2	-22.5	0	0	112.4	Q706 V707 A708	Q706-Q710 PolarHBondContact O-N 3.47Å; V707-Q710 PolarHBondContact O-N 2.93Å; V707-Q710 VanDerWaalsContact O-N 3.16Å; A708-Q710 VanDerWaalsContact C-N 3.29Å
711	S	79.9	Confident	77	Confident	21 Å²	21	66 Å²	66	15%	0.147	40%	0.398	C	S	.	.			trans	-64.7	159.6	-177.1	81.8	0	0	0	0	112.3	Q706 S709 L713 A714 A715	Q706-S711 PolarHBondContact O-N 3.12Å; Q706-S711 VanDerWaalsContact O-N 3.09Å; Q706-S711 PolarHBondContact O-OG 3.27Å; Q706-S711 PolarHBondContact OE1-OG 2.98Å; S709-S711 PolarHBondContact O-N 2.8Å; S711-L713 PolarHBondContact O-N 2.92Å; S711-L713 PolarHBondContact OG-N 2.96Å; S711-A714 WeakPolarHBondContact O-CB 3.31Å; S711-A714 PolarHBondContact O-N 3.16Å; S711-A714 PolarHBondContact OG-N 2.86Å; S711-A715 PolarHBondContact O-N 3.06Å
712	V	79.3	Confident	76.6	Confident	124 Å²	124	66.1 Å²	66.1	75%	0.752	40%	0.399	S	S	*	.	H	α-helix	trans	-57.6	-34.4	175.7	-179.4	0	0	0	0	111.4	A715 L716	V712-A715 PolarHBondContact O-N 3.3Å; V712-L716 VanDerWaalsContact O-CB 3.29Å; V712-L716 WeakPolarHBondContact O-CB 3.46Å; V712-L716 PolarHBondContact O-N 2.96Å
713	L	78.6	Confident	76.5	Confident	18 Å²	18	63.8 Å²	63.8	9%	0.094	39%	0.386	C	S	.	.	H	α-helix	trans	-66.4	-42.2	176.5	-64.3	177	0	0	0	111.5	S711 A715 L716 Y717 V723 M724 H727	S711-L713 PolarHBondContact O-N 2.92Å; S711-L713 PolarHBondContact OG-N 2.96Å; L713-A715 VanDerWaalsContact C-N 3.33Å; L713-A715 PolarHBondContact O-N 3.47Å; L713-L716 PolarHBondContact O-N 3.02Å; L713-Y717 HydrophobicContact CD2-CE2 4.2Å; L713-Y717 WeakPolarHBondContact O-CD2 3.33Å; L713-Y717 PolarHBondContact O-N 2.92Å; L713-V723 HydrophobicContact CB-CG1 4.04Å; L713-M724 HydrophobicContact CD1-SD 3.96Å; L713-H727 HydrophobicContact CD2-CB 4.46Å; L713-H727 WeakPolarHBondContact CD2-ND1 3.2Å
714	A	78.1	Confident	76.7	Confident	16 Å²	16	62.3 Å²	62.3	13%	0.132	38%	0.379	C	S	.	.	H	α-helix	trans	-64.2	-38.2	176.2	0	0	0	0	0	112	Q706 V707 S711 S718	Q706-A714 WeakPolarHBondContact O-CB 3.39Å; V707-A714 HydrophobicContact CG2-CB 4.44Å; S711-A714 WeakPolarHBondContact O-CB 3.31Å; S711-A714 PolarHBondContact O-N 3.16Å; S711-A714 PolarHBondContact OG-N 2.86Å; A714-S718 WeakPolarHBondContact O-CA 3.34Å; A714-S718 PolarHBondContact O-N 3.48Å
715	A	73.1	Confident	77	Confident	74 Å²	74	59.1 Å²	59.1	61%	0.612	35%	0.354	S	S	*	.	H	α-helix	trans	-68.1	-40.4	174.2	0	0	0	0	0	112.4	S711 V712 L713	S711-A715 PolarHBondContact O-N 3.06Å; V712-A715 PolarHBondContact O-N 3.3Å; L713-A715 VanDerWaalsContact C-N 3.33Å; L713-A715 PolarHBondContact O-N 3.47Å
716	L	72.8	Confident	77.1	Confident	98 Å²	98	62.1 Å²	62.1	51%	0.513	36%	0.364	S	S	.	.	H	α-helix	trans	-67.1	-44.6	-178.4	-176	64.8	0	0	0	112.1	V712 L713	V712-L716 VanDerWaalsContact O-CB 3.29Å; V712-L716 WeakPolarHBondContact O-CB 3.46Å; V712-L716 PolarHBondContact O-N 2.96Å; L713-L716 PolarHBondContact O-N 3.02Å
717	Y	73.9	Confident	77.3	Confident	47 Å²	47	62 Å²	62	18%	0.184	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	12.5	-175.9	-61.9	-65.5	0	0	0	114.4	L713 S719 V723 R726 H727 A730	L713-Y717 HydrophobicContact CD2-CE2 4.2Å; L713-Y717 WeakPolarHBondContact O-CD2 3.33Å; L713-Y717 PolarHBondContact O-N 2.92Å; Y717-S719 PolarHBondContact O-N 3.26Å; Y717-S719 PolarHBondContact O-OG 3.4Å; Y717-V723 HydrophobicContact CD2-CG1 4.24Å; Y717-R726 HydrophobicContact CD1-CB 3.81Å; Y717-R726 HydrophobicContact CD2-CB 4.5Å; Y717-R726 HydrophobicContact CE1-CB 4.06Å; Y717-R726 HydrophobicContact CG-CB 4.05Å; Y717-H727 HydrophobicContact CD2-CB 4.48Å; Y717-H727 HydrophobicContact CE2-CB 3.72Å; Y717-A730 VanDerWaalsContact OH-CB 3.26Å; Y717-A730 WeakPolarHBondContact OH-CB 3.3Å
718	S	54	Low	77.8	Confident	103 Å²	103	57.8 Å²	57.8	72%	0.72	34%	0.338	S	S	*	.			trans	1.9	-19.8	172.8	56.6	0	0	0	0	122.7	A714	A714-S718 WeakPolarHBondContact O-CA 3.34Å; A714-S718 PolarHBondContact O-N 3.48Å
719	S	56.9	Low	78.3	Confident	55 Å²	55	56.1 Å²	56.1	39%	0.385	32%	0.318	S	S	.	.	S	Bend	trans	-67.9	144	166.1	59.7	0	0	0	0	112.8	Y717 G721 R726	Y717-S719 PolarHBondContact O-N 3.26Å; Y717-S719 PolarHBondContact O-OG 3.4Å; S719-G721 PolarHBondContact O-N 3.24Å; S719-R726 PolarHBondContact OG-NH2 3.43Å
720	E	54.7	Low	78.6	Confident	202 Å²	202	56 Å²	56	94%	0.944	32%	0.319	S	S	*	.	S	Bend	trans	-61.6	123	171.9	-69.8	-178.6	163.9	0	0	111
721	G	61.8	Low	79.1	Confident	37 Å²	37	48.7 Å²	48.7	38%	0.381	29%	0.285	S	S	.	.	S	Bend	trans	95.8	141.5	171.6	0	0	0	0	0	115.8	S719	S719-G721 PolarHBondContact O-N 3.24Å
722	S	80.7	Confident	79.7	Confident	11 Å²	11	47.7 Å²	47.7	8%	0.077	28%	0.278	C	S	.	.			trans	59.7	44	171.8	-32.3	0	0	0	0	116.1	E725 R726 D767	S722-E725 WeakPolarHBondContact CA-OE2 3.46Å; S722-E725 WeakPolarHBondContact CB-OE2 3.17Å; S722-R726 VanDerWaalsContact O-CG 3.27Å; S722-R726 WeakPolarHBondContact O-CG 3.26Å; S722-R726 PolarHBondContact O-N 3.43Å; S722-R726 VanDerWaalsContact O-N 3.14Å; S722-D767 PolarHBondContact OG-OD2 2.92Å
723	V	86	Confident	80.3	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.024	25%	0.251	C	S	.	.	H	α-helix	trans	-62	-47.2	-177.6	172.7	0	0	0	0	111.2	N703 V707 L713 Y717 H727	N703-V723 PolarHBondContact OD1-N 3.21Å; V707-V723 HydrophobicContact CG2-CG2 4.42Å; L713-V723 HydrophobicContact CB-CG1 4.04Å; Y717-V723 HydrophobicContact CD2-CG1 4.24Å; V723-H727 PolarHBondContact O-N 3.46Å
724	M	89.9	Confident	80.7	Confident	3 Å²	3	44 Å²	44	2%	0.015	26%	0.258	C	S	.	.	H	α-helix	trans	-68.9	-42.2	-179.2	-72.2	-61.9	-65.5	0	0	111.3	N703 Q706 L713 R726 H727 H728	N703-M724 WeakPolarHBondContact OD1-CB 3.19Å; N703-M724 WeakPolarHBondContact OD1-CG 3.45Å; N703-M724 PolarHBondContact OD1-N 3.29Å; Q706-M724 HydrophobicContact CG-CG 4.16Å; Q706-M724 HydrophobicContact CG-SD 3.92Å; L713-M724 HydrophobicContact CD1-SD 3.96Å; M724-R726 VanDerWaalsContact C-N 3.31Å; M724-R726 PolarHBondContact O-N 2.99Å; M724-H727 CarbonylContact O-C 3.53Å; M724-H727 WeakPolarHBondContact O-CA 3.31Å; M724-H727 VanDerWaalsContact O-CB 3.22Å; M724-H727 WeakPolarHBondContact O-CB 3.27Å; M724-H727 PolarHBondContact O-N 3.15Å; M724-H728 VanDerWaalsContact C-CD2 3.41Å; M724-H728 PolarHBondContact O-CD2 3.01Å; M724-H728 PolarHBondContact O-N 3.47Å; M724-H728 PolarHBondContact O-NE2 3.03Å
725	E	92.9	Very high	81.3	Confident	22 Å²	22	43.3 Å²	43.3	10%	0.103	25%	0.252	C	S	.	.	H	α-helix	trans	-64.9	-36.2	-179.4	-61.5	76.1	-173.9	0	0	111.7	N703 S722 H727 H728 F729 I763 L764 T766 D767	N703-E725 PolarHBondContact ND2-OE1 3.44Å; N703-E725 PolarHBondContact ND2-OE2 2.93Å; S722-E725 WeakPolarHBondContact CA-OE2 3.46Å; S722-E725 WeakPolarHBondContact CB-OE2 3.17Å; E725-H727 VanDerWaalsContact C-N 3.33Å; E725-H728 PolarHBondContact O-N 3.37Å; E725-F729 PolarHBondContact O-N 2.87Å; E725-I763 WeakPolarHBondContact O-CG2 3.21Å; E725-L764 HydrophobicContact CB-CD2 3.87Å; E725-T766 WeakPolarHBondContact CG-OG1 3.31Å; E725-D767 HydrophobicContact CG-CB 4.1Å
726	R	89.1	Confident	82.2	Confident	89 Å²	89	39.9 Å²	39.9	34%	0.336	22%	0.224	S	C	.	.	H	α-helix	trans	-63.7	-40	170	-70.8	171.5	-166.7	-81.2	2	111.9	Y717 S719 S722 M724 A730 L764	Y717-R726 HydrophobicContact CD1-CB 3.81Å; Y717-R726 HydrophobicContact CD2-CB 4.5Å; Y717-R726 HydrophobicContact CE1-CB 4.06Å; Y717-R726 HydrophobicContact CG-CB 4.05Å; S719-R726 PolarHBondContact OG-NH2 3.43Å; S722-R726 VanDerWaalsContact O-CG 3.27Å; S722-R726 WeakPolarHBondContact O-CG 3.26Å; S722-R726 PolarHBondContact O-N 3.43Å; S722-R726 VanDerWaalsContact O-N 3.14Å; M724-R726 VanDerWaalsContact C-N 3.31Å; M724-R726 PolarHBondContact O-N 2.99Å; R726-A730 WeakPolarHBondContact O-CB 3.32Å; R726-A730 PolarHBondContact O-N 3.38Å; R726-L764 HydrophobicContact CB-CD2 4.41Å; R726-L764 HydrophobicContact CG-CD2 3.57Å
727	H	90.9	Very high	82.8	Confident	9 Å²	9	40.6 Å²	40.6	4%	0.042	23%	0.228	C	C	.	.	H	α-helix	trans	-63.4	-45.8	175.6	179.9	65.8	0	0	0	111.6	D697 L713 Y717 V723 M724 E725 F729 A730 Q731	D697-H727 IonicContact OD2-CD2 2.78Å; D697-H727 IonicContact OD2-CE1 2.77Å; D697-H727 IonicContact OD2-NE2 2.64Å; D697-H727 PolarHBondContact OD2-NE2 3.47Å; L713-H727 HydrophobicContact CD2-CB 4.46Å; L713-H727 WeakPolarHBondContact CD2-ND1 3.2Å; Y717-H727 HydrophobicContact CD2-CB 4.48Å; Y717-H727 HydrophobicContact CE2-CB 3.72Å; V723-H727 PolarHBondContact O-N 3.46Å; M724-H727 CarbonylContact O-C 3.53Å; M724-H727 WeakPolarHBondContact O-CA 3.31Å; M724-H727 VanDerWaalsContact O-CB 3.22Å; M724-H727 WeakPolarHBondContact O-CB 3.27Å; M724-H727 PolarHBondContact O-N 3.15Å; E725-H727 VanDerWaalsContact C-N 3.33Å; H727-F729 VanDerWaalsContact C-N 3.34Å; H727-F729 PolarHBondContact O-N 3.3Å; H727-A730 WeakPolarHBondContact O-CB 3.41Å; H727-A730 PolarHBondContact O-N 2.96Å; H727-A730 VanDerWaalsContact O-N 3.11Å; H727-Q731 PolarHBondContact CE1-NE2 3.13Å; H727-Q731 WeakPolarHBondContact O-CG 3.44Å; H727-Q731 PolarHBondContact O-N 2.97Å
728	H	94.2	Very high	83.4	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-58.1	-45.5	176.8	-56.3	-39.3	0	0	0	111.7	H694 D695 L696 H698 M724 E725 Q731 A732 I763	H694-H728 WeakPolarHBondContact O-CB 3.21Å; H694-H728 PolarHBondContact O-CD2 3.31Å; D695-H728 IonicContact OD1-CD2 3.04Å; D695-H728 IonicContact OD1-NE2 2.96Å; L696-H728 PolarHBondContact O-CE1 2.94Å; L696-H728 PolarHBondContact O-ND1 2.96Å; H698-H728 AromaticContact CD2-CE1 3.85Å; H698-H728 AromaticContact CD2-NE2 3.68Å; M724-H728 VanDerWaalsContact C-CD2 3.41Å; M724-H728 PolarHBondContact O-CD2 3.01Å; M724-H728 PolarHBondContact O-N 3.47Å; M724-H728 PolarHBondContact O-NE2 3.03Å; E725-H728 PolarHBondContact O-N 3.37Å; H728-Q731 PolarHBondContact O-N 3.18Å; H728-A732 PolarHBondContact O-N 3.46Å; H728-I763 HydrophobicContact CB-CG2 4.08Å
729	F	94.1	Very high	84.7	Confident	34 Å²	34	44.2 Å²	44.2	15%	0.149	24%	0.238	C	C	.	.	H	α-helix	trans	-60.9	-45.8	173.1	175.2	-106.6	0	0	0	112.1	E725 H727 Q731 A732 I733 M759 R760 I763	E725-F729 PolarHBondContact O-N 2.87Å; H727-F729 VanDerWaalsContact C-N 3.34Å; H727-F729 PolarHBondContact O-N 3.3Å; F729-Q731 VanDerWaalsContact C-N 3.31Å; F729-Q731 PolarHBondContact O-N 3.42Å; F729-A732 WeakPolarHBondContact O-CB 3.26Å; F729-A732 PolarHBondContact O-N 3.3Å; F729-A732 VanDerWaalsContact O-N 3.16Å; F729-I733 HydrophobicContact CD1-CG1 4.28Å; F729-I733 HydrophobicContact CD2-CG1 4.33Å; F729-I733 HydrophobicContact CE1-CD1 4.38Å; F729-I733 HydrophobicContact CE1-CG1 3.81Å; F729-I733 HydrophobicContact CE2-CD1 3.76Å; F729-I733 HydrophobicContact CE2-CG1 3.86Å; F729-I733 HydrophobicContact CZ-CD1 3.65Å; F729-I733 HydrophobicContact CZ-CG1 3.58Å; F729-I733 WeakPolarHBondContact O-CG1 3.5Å; F729-I733 PolarHBondContact O-N 3.32Å; F729-M759 HydrophobicContact CD2-CB 4.47Å; F729-M759 HydrophobicContact CE2-CB 4.12Å; F729-R760 HydrophobicContact CD1-CB 4.38Å; F729-R760 HydrophobicContact CD1-CG 4.1Å; F729-R760 HydrophobicContact CD2-CB 3.99Å; F729-R760 HydrophobicContact CD2-CG 4.48Å; F729-R760 HydrophobicContact CE1-CB 4.04Å; F729-R760 HydrophobicContact CE1-CG 3.99Å; F729-R760 HydrophobicContact CE2-CB 3.63Å; F729-R760 HydrophobicContact CE2-CG 4.38Å; F729-R760 HydrophobicContact CG-CB 4.35Å; F729-R760 HydrophobicContact CG-CG 4.35Å; F729-R760 HydrophobicContact CZ-CB 3.65Å; F729-R760 HydrophobicContact CZ-CG 4.13Å; F729-I763 HydrophobicContact CB-CD1 4.4Å; F729-I763 HydrophobicContact CB-CG2 4.24Å; F729-I763 HydrophobicContact CD2-CD1 4.29Å
730	A	89.4	Confident	86.2	Confident	33 Å²	33	42.8 Å²	42.8	27%	0.273	23%	0.232	S	C	.	.	H	α-helix	trans	-61	-38.7	178.3	0	0	0	0	0	112.5	Y717 R726 H727 I733 A734	Y717-A730 VanDerWaalsContact OH-CB 3.26Å; Y717-A730 WeakPolarHBondContact OH-CB 3.3Å; R726-A730 WeakPolarHBondContact O-CB 3.32Å; R726-A730 PolarHBondContact O-N 3.38Å; H727-A730 WeakPolarHBondContact O-CB 3.41Å; H727-A730 PolarHBondContact O-N 2.96Å; H727-A730 VanDerWaalsContact O-N 3.11Å; A730-I733 PolarHBondContact O-N 3.05Å; A730-A734 PolarHBondContact O-N 2.85Å
731	Q	90.6	Very high	87.9	Confident	21 Å²	21	33.2 Å²	33.2	10%	0.098	19%	0.188	C	C	.	.	H	α-helix	trans	-63.9	-43.3	173.4	-67.9	-54.6	-49.5	0	0	111.8	L696 D697 H727 H728 F729 I733 A734 I735	L696-Q731 HydrophobicContact CB-CB 3.95Å; L696-Q731 HydrophobicContact CD1-CB 4.37Å; D697-Q731 HydrophobicContact CB-CG 3.99Å; H727-Q731 PolarHBondContact CE1-NE2 3.13Å; H727-Q731 WeakPolarHBondContact O-CG 3.44Å; H727-Q731 PolarHBondContact O-N 2.97Å; H728-Q731 PolarHBondContact O-N 3.18Å; F729-Q731 VanDerWaalsContact C-N 3.31Å; F729-Q731 PolarHBondContact O-N 3.42Å; Q731-I733 VanDerWaalsContact C-N 3.31Å; Q731-I733 PolarHBondContact O-N 3.37Å; Q731-A734 PolarHBondContact O-N 3.48Å; Q731-I735 WeakPolarHBondContact O-CG1 3.49Å; Q731-I735 PolarHBondContact O-N 2.8Å
732	A	93.6	Very high	89.4	Confident	1 Å²	1	33 Å²	33	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-59.1	-42.9	175.5	0	0	0	0	0	111.9	C693 L696 H728 F729 I735 L736 M759	C693-A732 HydrophobicContact CB-CB 3.83Å; L696-A732 HydrophobicContact CD1-CB 4.07Å; H728-A732 PolarHBondContact O-N 3.46Å; F729-A732 WeakPolarHBondContact O-CB 3.26Å; F729-A732 PolarHBondContact O-N 3.3Å; F729-A732 VanDerWaalsContact O-N 3.16Å; A732-I735 PolarHBondContact O-N 3.39Å; A732-L736 WeakPolarHBondContact O-CG 3.04Å; A732-L736 PolarHBondContact O-N 3.1Å; A732-M759 HydrophobicContact CB-CE 4.34Å
733	I	90.4	Very high	90.2	Very high	33 Å²	33	32.9 Å²	32.9	17%	0.169	18%	0.176	C	C	.	.	H	α-helix	trans	-64.6	-40.5	175.5	-63.7	-56.7	0	0	0	111.7	F729 A730 Q731 I735 L736 N737 L756	F729-I733 HydrophobicContact CD1-CG1 4.28Å; F729-I733 HydrophobicContact CD2-CG1 4.33Å; F729-I733 HydrophobicContact CE1-CD1 4.38Å; F729-I733 HydrophobicContact CE1-CG1 3.81Å; F729-I733 HydrophobicContact CE2-CD1 3.76Å; F729-I733 HydrophobicContact CE2-CG1 3.86Å; F729-I733 HydrophobicContact CZ-CD1 3.65Å; F729-I733 HydrophobicContact CZ-CG1 3.58Å; F729-I733 WeakPolarHBondContact O-CG1 3.5Å; F729-I733 PolarHBondContact O-N 3.32Å; A730-I733 PolarHBondContact O-N 3.05Å; Q731-I733 VanDerWaalsContact C-N 3.31Å; Q731-I733 PolarHBondContact O-N 3.37Å; I733-I735 VanDerWaalsContact C-N 3.32Å; I733-I735 PolarHBondContact O-N 3.41Å; I733-L736 HydrophobicContact CD1-CD1 4.31Å; I733-L736 PolarHBondContact O-N 3.45Å; I733-N737 WeakPolarHBondContact CG2-ND2 3.45Å; I733-N737 WeakPolarHBondContact O-CB 3.5Å; I733-N737 VanDerWaalsContact O-CG 3.32Å; I733-N737 PolarHBondContact O-N 3.12Å; I733-N737 PolarHBondContact O-ND2 2.78Å; I733-L756 HydrophobicContact CD1-CD1 4.26Å; I733-L756 HydrophobicContact CD1-CD2 3.6Å; I733-L756 HydrophobicContact CD1-CG 4.39Å
734	A	88.1	Confident	90.6	Very high	31 Å²	31	32.7 Å²	32.7	26%	0.256	18%	0.175	S	C	.	.	H	α-helix	trans	-62.7	-39.7	176.9	0	0	0	0	0	112	M570 A730 Q731 N737 T738	M570-A734 HydrophobicContact CE-CB 3.5Å; M570-A734 VanDerWaalsContact CE-CB 3.5Å; M570-A734 HydrophobicContact SD-CB 4.38Å; A730-A734 PolarHBondContact O-N 2.85Å; Q731-A734 PolarHBondContact O-N 3.48Å; A734-N737 PolarHBondContact O-N 2.93Å; A734-T738 PolarHBondContact O-N 2.88Å; A734-T738 PolarHBondContact O-OG1 3.46Å
735	I	90.8	Very high	90.7	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-63.2	-47.2	172.9	-68	173.1	0	0	0	110.8	M573 F640 M643 V644 L696 Q731 A732 I733 N737 T738 C741	M573-I735 HydrophobicContact CE-CD1 4.16Å; M573-I735 HydrophobicContact CE-CG1 4.26Å; F640-I735 HydrophobicContact CD2-CG2 3.83Å; F640-I735 HydrophobicContact CE2-CG2 3.97Å; M643-I735 HydrophobicContact CB-CG2 4.04Å; M643-I735 HydrophobicContact CG-CB 4.41Å; M643-I735 HydrophobicContact CG-CD1 4.34Å; M643-I735 HydrophobicContact CG-CG1 3.99Å; M643-I735 HydrophobicContact CG-CG2 3.76Å; V644-I735 HydrophobicContact CG2-CD1 4.09Å; V644-I735 HydrophobicContact CG2-CG2 4.27Å; L696-I735 HydrophobicContact CD1-CD1 3.87Å; L696-I735 HydrophobicContact CD2-CD1 4.18Å; Q731-I735 WeakPolarHBondContact O-CG1 3.49Å; Q731-I735 PolarHBondContact O-N 2.8Å; A732-I735 PolarHBondContact O-N 3.39Å; I733-I735 VanDerWaalsContact C-N 3.32Å; I733-I735 PolarHBondContact O-N 3.41Å; I735-N737 VanDerWaalsContact C-N 3.27Å; I735-N737 PolarHBondContact O-N 3.28Å; I735-T738 VanDerWaalsContact O-CB 3.22Å; I735-T738 WeakPolarHBondContact O-CB 3.03Å; I735-T738 PolarHBondContact O-N 3.35Å; I735-C741 HydrophobicContact CG2-CB 4.34Å; I735-C741 WeakPolarHBondContact O-CB 3.48Å
736	L	90.9	Very high	90.7	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-62.9	-32.4	178.4	-72.6	168.7	0	0	0	113	F640 A732 I733 T738 N742 I743 F744 L756 M759	F640-L736 HydrophobicContact CD2-CD2 4.07Å; F640-L736 HydrophobicContact CE2-CD2 3.73Å; F640-L736 HydrophobicContact CE2-CG 4.18Å; A732-L736 WeakPolarHBondContact O-CG 3.04Å; A732-L736 PolarHBondContact O-N 3.1Å; I733-L736 HydrophobicContact CD1-CD1 4.31Å; I733-L736 PolarHBondContact O-N 3.45Å; L736-T738 VanDerWaalsContact C-N 3.26Å; L736-T738 PolarHBondContact O-N 2.91Å; L736-N742 VanDerWaalsContact O-CB 3.25Å; L736-N742 WeakPolarHBondContact O-CB 3.17Å; L736-I743 HydrophobicContact CD2-CG1 4.08Å; L736-F744 HydrophobicContact CD1-CD2 4.19Å; L736-F744 HydrophobicContact CD1-CE2 3.81Å; L736-F744 HydrophobicContact CD2-CD2 4Å; L736-F744 HydrophobicContact CD2-CE2 3.81Å; L736-F744 HydrophobicContact CG-CE2 4.49Å; L736-L756 HydrophobicContact CD1-CD2 4.25Å; L736-M759 HydrophobicContact CD1-CE 4.09Å; L736-M759 HydrophobicContact CD1-SD 4.33Å
737	N	86.9	Confident	90.9	Very high	113 Å²	113	40.6 Å²	40.6	60%	0.604	21%	0.213	S	C	*	.	H	α-helix	trans	-78.6	-9.7	175.6	-71.8	-25.7	0	0	0	113.1	I733 A734 I735	I733-N737 WeakPolarHBondContact CG2-ND2 3.45Å; I733-N737 WeakPolarHBondContact O-CB 3.5Å; I733-N737 VanDerWaalsContact O-CG 3.32Å; I733-N737 PolarHBondContact O-N 3.12Å; I733-N737 PolarHBondContact O-ND2 2.78Å; A734-N737 PolarHBondContact O-N 2.93Å; I735-N737 VanDerWaalsContact C-N 3.27Å; I735-N737 PolarHBondContact O-N 3.28Å
738	T	85.6	Confident	91.2	Very high	41 Å²	41	42.9 Å²	42.9	25%	0.252	23%	0.23	S	C	.	.	S	Bend	trans	-72	138.3	174.6	-60	0	0	0	0	110.1	M643 A734 I735 L736 G740 C741	M643-T738 HydrophobicContact CE-CG2 4.39Å; A734-T738 PolarHBondContact O-N 2.88Å; A734-T738 PolarHBondContact O-OG1 3.46Å; I735-T738 VanDerWaalsContact O-CB 3.22Å; I735-T738 WeakPolarHBondContact O-CB 3.03Å; I735-T738 PolarHBondContact O-N 3.35Å; L736-T738 VanDerWaalsContact C-N 3.26Å; L736-T738 PolarHBondContact O-N 2.91Å; T738-G740 PolarHBondContact O-N 3.08Å; T738-C741 PolarHBondContact O-N 3.1Å; T738-C741 VanDerWaalsContact O-N 3.1Å
739	Q	82.4	Confident	90.9	Very high	185 Å²	185	54 Å²	54	86%	0.864	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	125.7	-178	-172.7	179.7	2.6	0	0	111.4	C741	Q739-C741 VanDerWaalsContact C-N 3.3Å; Q739-C741 PolarHBondContact O-N 3.36Å
740	G	87.1	Confident	90.9	Very high	25 Å²	25	60.7 Å²	60.7	26%	0.258	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	12.7	177.9	0	0	0	0	0	115.2	T636 R639 T738	T636-G740 WeakPolarHBondContact CA-O 3.18Å; R639-G740 WeakPolarHBondContact CD-O 3.31Å; R639-G740 PolarHBondContact NH1-O 3.45Å; T738-G740 PolarHBondContact O-N 3.08Å
741	C	91.4	Very high	91.2	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.014	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-8.7	173.6	-65.9	0	0	0	0	113.2	F640 I735 T738 Q739 I743	F640-C741 WeakPolarHBondContact CD2-O 3.36Å; I735-C741 HydrophobicContact CG2-CB 4.34Å; I735-C741 WeakPolarHBondContact O-CB 3.48Å; T738-C741 PolarHBondContact O-N 3.1Å; T738-C741 VanDerWaalsContact O-N 3.1Å; Q739-C741 VanDerWaalsContact C-N 3.3Å; Q739-C741 PolarHBondContact O-N 3.36Å; C741-I743 PolarHBondContact O-N 2.98Å
742	N	93.1	Very high	91.4	Very high	33 Å²	33	63.8 Å²	63.8	18%	0.176	31%	0.31	C	S	.	.			trans	-75.8	91.4	-177.2	-163.3	-22.2	0	0	0	112.2	T636 L736 F744 E745 Y752	T636-N742 WeakPolarHBondContact CG2-O 3.47Å; L736-N742 VanDerWaalsContact O-CB 3.25Å; L736-N742 WeakPolarHBondContact O-CB 3.17Å; N742-F744 PolarHBondContact O-N 3.38Å; N742-F744 VanDerWaalsContact O-N 3.14Å; N742-F744 PolarHBondContact OD1-N 2.99Å; N742-E745 WeakPolarHBondContact O-CB 3.49Å; N742-E745 PolarHBondContact O-N 3.16Å; N742-E745 PolarHBondContact OD1-N 2.88Å; N742-Y752 PolarHBondContact ND2-OH 2.73Å; N742-Y752 VanDerWaalsContact ND2-OH 3.1Å
743	I	96.6	Very high	91.3	Very high	7 Å²	7	68.4 Å²	68.4	4%	0.036	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-8.2	177.4	55.4	164.4	0	0	0	113.9	F621 I632 T636 L637 F640 V689 L736 C741	F621-I743 HydrophobicContact CZ-CD1 4.48Å; I632-I743 HydrophobicContact CG2-CB 3.99Å; I632-I743 HydrophobicContact CG2-CG2 4.09Å; T636-I743 HydrophobicContact CG2-CG2 4.04Å; L637-I743 HydrophobicContact CB-CG2 4.23Å; L637-I743 HydrophobicContact CD1-CG2 3.9Å; F640-I743 HydrophobicContact CB-CG2 3.68Å; F640-I743 HydrophobicContact CD1-CD1 3.94Å; F640-I743 HydrophobicContact CD1-CG1 4.45Å; F640-I743 HydrophobicContact CD1-CG2 4.18Å; F640-I743 HydrophobicContact CE1-CD1 3.83Å; F640-I743 HydrophobicContact CG-CD1 4.38Å; F640-I743 HydrophobicContact CG-CG1 4.41Å; F640-I743 HydrophobicContact CG-CG2 3.9Å; F640-I743 HydrophobicContact CZ-CD1 4.2Å; V689-I743 HydrophobicContact CG2-CD1 3.96Å; L736-I743 HydrophobicContact CD2-CG1 4.08Å; C741-I743 PolarHBondContact O-N 2.98Å
744	F	95.9	Very high	91.6	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	12.9	178.3	-45.2	-47.9	0	0	0	113.3	L685 V689 L736 N742 K746 F747 Y752 M755 M759	L685-F744 HydrophobicContact CD2-CE1 4.18Å; V689-F744 HydrophobicContact CB-CZ 4.46Å; V689-F744 HydrophobicContact CG1-CZ 4.14Å; V689-F744 HydrophobicContact CG2-CE1 4.46Å; V689-F744 HydrophobicContact CG2-CZ 4.11Å; L736-F744 HydrophobicContact CD1-CD2 4.19Å; L736-F744 HydrophobicContact CD1-CE2 3.81Å; L736-F744 HydrophobicContact CD2-CD2 4Å; L736-F744 HydrophobicContact CD2-CE2 3.81Å; L736-F744 HydrophobicContact CG-CE2 4.49Å; N742-F744 PolarHBondContact O-N 3.38Å; N742-F744 VanDerWaalsContact O-N 3.14Å; N742-F744 PolarHBondContact OD1-N 2.99Å; F744-K746 PolarHBondContact O-N 2.95Å; F744-F747 HydrophobicContact CB-CD1 4.19Å; F744-F747 HydrophobicContact CB-CD2 4.2Å; F744-F747 HydrophobicContact CB-CE1 4.44Å; F744-F747 HydrophobicContact CB-CE2 4.49Å; F744-F747 HydrophobicContact CB-CG 4.07Å; F744-F747 HydrophobicContact CD1-CE1 4.17Å; F744-F747 HydrophobicContact CD1-CE2 4.16Å; F744-F747 AromaticContact CD1-CZ 3.9Å; F744-F747 HydrophobicContact CD1-CZ 3.9Å; F744-F747 VanDerWaalsContact O-CB 3.28Å; F744-F747 WeakPolarHBondContact O-CB 3.43Å; F744-F747 PolarHBondContact O-N 3.04Å; F744-Y752 HydrophobicContact CB-CD2 3.72Å; F744-Y752 HydrophobicContact CB-CE2 3.77Å; F744-M755 HydrophobicContact CD1-CE 4.1Å; F744-M755 HydrophobicContact CD1-CG 4.26Å; F744-M755 HydrophobicContact CD2-CG 3.96Å; F744-M755 HydrophobicContact CE1-CE 3.25Å; F744-M755 HydrophobicContact CE1-CG 4.19Å; F744-M755 HydrophobicContact CE1-SD 4.48Å; F744-M755 HydrophobicContact CE2-CE 3.95Å; F744-M755 HydrophobicContact CE2-CG 3.84Å; F744-M755 HydrophobicContact CG-CG 4.17Å; F744-M755 HydrophobicContact CZ-CE 3.15Å; F744-M755 HydrophobicContact CZ-CG 3.97Å; F744-M755 HydrophobicContact CZ-SD 4.44Å; F744-M759 HydrophobicContact CE2-SD 3.72Å; F744-M759 HydrophobicContact CZ-SD 4.09Å
745	E	90.9	Very high	92	Very high	118 Å²	118	68.8 Å²	68.8	55%	0.551	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-32.5	-175.9	-167.2	-159	120.7	0	0	113.2	N742 F747	N742-E745 WeakPolarHBondContact O-CB 3.49Å; N742-E745 PolarHBondContact O-N 3.16Å; N742-E745 PolarHBondContact OD1-N 2.88Å; E745-F747 VanDerWaalsContact C-N 3.32Å; E745-F747 PolarHBondContact O-N 3.41Å
746	K	93.3	Very high	92.2	Very high	133 Å²	133	70 Å²	70	58%	0.578	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	0.7	-178.7	-55.6	-51.2	-179.2	-153.3	0	114	F744	F744-K746 PolarHBondContact O-N 2.95Å
747	F	93.4	Very high	92.4	Very high	30 Å²	30	72 Å²	72	13%	0.132	34%	0.341	C	S	.	.	S	Bend	trans	-72.4	152.3	-179.7	-79.2	30.7	0	0	0	111.2	Y630 I682 L685 F744 E745 D751 Y752 M755	Y630-F747 HydrophobicContact CD1-CD1 4.38Å; Y630-F747 AromaticContact CD1-CE1 3.43Å; Y630-F747 HydrophobicContact CD1-CE1 3.43Å; Y630-F747 VanDerWaalsContact CD1-CE1 3.43Å; Y630-F747 AromaticContact CD1-CZ 3.49Å; Y630-F747 HydrophobicContact CD1-CZ 3.49Å; Y630-F747 VanDerWaalsContact CD1-CZ 3.49Å; Y630-F747 HydrophobicContact CE1-CE1 4.23Å; Y630-F747 AromaticContact CE1-CZ 3.86Å; Y630-F747 HydrophobicContact CE1-CZ 3.86Å; Y630-F747 AromaticContact CG-CE1 3.85Å; Y630-F747 HydrophobicContact CG-CE1 3.85Å; Y630-F747 AromaticContact CG-CZ 3.99Å; Y630-F747 HydrophobicContact CG-CZ 3.99Å; I682-F747 HydrophobicContact CD1-CE2 4.05Å; I682-F747 HydrophobicContact CG1-CE2 4.3Å; L685-F747 HydrophobicContact CD2-CZ 3.78Å; F744-F747 HydrophobicContact CB-CD1 4.19Å; F744-F747 HydrophobicContact CB-CD2 4.2Å; F744-F747 HydrophobicContact CB-CE1 4.44Å; F744-F747 HydrophobicContact CB-CE2 4.49Å; F744-F747 HydrophobicContact CB-CG 4.07Å; F744-F747 HydrophobicContact CD1-CE1 4.17Å; F744-F747 HydrophobicContact CD1-CE2 4.16Å; F744-F747 AromaticContact CD1-CZ 3.9Å; F744-F747 HydrophobicContact CD1-CZ 3.9Å; F744-F747 VanDerWaalsContact O-CB 3.28Å; F744-F747 WeakPolarHBondContact O-CB 3.43Å; F744-F747 PolarHBondContact O-N 3.04Å; E745-F747 VanDerWaalsContact C-N 3.32Å; E745-F747 PolarHBondContact O-N 3.41Å; F747-D751 HydrophobicContact CB-CB 4.21Å; F747-D751 HydrophobicContact CD2-CB 3.8Å; F747-D751 HydrophobicContact CG-CB 4.29Å; F747-Y752 HydrophobicContact CB-CD2 4.48Å; F747-M755 HydrophobicContact CD2-CB 4.37Å; F747-M755 HydrophobicContact CE2-CB 4.19Å; F747-M755 HydrophobicContact CE2-CG 4.21Å; F747-M755 HydrophobicContact CE2-SD 4.47Å
748	S	95.6	Very high	92.9	Very high	57 Å²	57	67.3 Å²	67.3	40%	0.399	32%	0.316	S	S	.	.			trans	-66.2	157	166	83.5	0	0	0	0	109.6	K750 D751 Y752	S748-K750 PolarHBondContact O-N 3.3Å; S748-K750 VanDerWaalsContact O-N 3.1Å; S748-K750 PolarHBondContact OG-N 3.38Å; S748-D751 WeakPolarHBondContact CB-OD2 3.3Å; S748-D751 PolarHBondContact O-N 2.85Å; S748-D751 VanDerWaalsContact O-N 3.09Å; S748-D751 PolarHBondContact OG-N 3.29Å; S748-D751 PolarHBondContact OG-OD2 3Å; S748-Y752 WeakPolarHBondContact O-CB 3.24Å; S748-Y752 PolarHBondContact O-N 3.38Å
749	R	89.3	Confident	93.5	Very high	234 Å²	234	65.4 Å²	65.4	88%	0.883	30%	0.304	S	S	*	.	H	α-helix	trans	-54.7	-33	176.4	-70.8	-173	176.7	-172.8	-1.5	113	Q753	R749-Q753 WeakPolarHBondContact O-CB 3.48Å; R749-Q753 PolarHBondContact O-N 2.75Å
750	K	94.6	Very high	94.1	Very high	175 Å²	175	61.1 Å²	61.1	76%	0.761	28%	0.281	S	S	*	.	H	α-helix	trans	-71.3	-45.2	178.3	-70.2	-175	178.3	-179.2	0	111.5	S748 Q753 R754	S748-K750 PolarHBondContact O-N 3.3Å; S748-K750 VanDerWaalsContact O-N 3.1Å; S748-K750 PolarHBondContact OG-N 3.38Å; K750-Q753 PolarHBondContact O-N 2.99Å; K750-R754 WeakPolarHBondContact O-CB 3.39Å; K750-R754 PolarHBondContact O-N 3.46Å
751	D	95.6	Very high	94.4	Very high	65 Å²	65	64.1 Å²	64.1	35%	0.348	29%	0.288	S	S	.	.	H	α-helix	trans	-70.9	-37.2	-179.4	-56	-42.1	0	0	0	111	I682 F747 S748 R754 M755	I682-D751 HydrophobicContact CD1-CB 4.03Å; F747-D751 HydrophobicContact CB-CB 4.21Å; F747-D751 HydrophobicContact CD2-CB 3.8Å; F747-D751 HydrophobicContact CG-CB 4.29Å; S748-D751 WeakPolarHBondContact CB-OD2 3.3Å; S748-D751 PolarHBondContact O-N 2.85Å; S748-D751 VanDerWaalsContact O-N 3.09Å; S748-D751 PolarHBondContact OG-N 3.29Å; S748-D751 PolarHBondContact OG-OD2 3Å; D751-R754 PolarHBondContact O-N 3.43Å; D751-M755 VanDerWaalsContact O-CB 3.24Å; D751-M755 WeakPolarHBondContact O-CB 3.32Å; D751-M755 PolarHBondContact O-N 2.77Å
752	Y	93.1	Very high	94.8	Very high	53 Å²	53	64.1 Å²	64.1	21%	0.208	29%	0.288	C	S	.	.	H	α-helix	trans	-60.2	-48.4	174.3	-168.1	-92.2	0	0	0	111	N742 F744 F747 S748 R754 M755 L756	N742-Y752 PolarHBondContact ND2-OH 2.73Å; N742-Y752 VanDerWaalsContact ND2-OH 3.1Å; F744-Y752 HydrophobicContact CB-CD2 3.72Å; F744-Y752 HydrophobicContact CB-CE2 3.77Å; F747-Y752 HydrophobicContact CB-CD2 4.48Å; S748-Y752 WeakPolarHBondContact O-CB 3.24Å; S748-Y752 PolarHBondContact O-N 3.38Å; Y752-R754 PolarHBondContact O-N 3.15Å; Y752-M755 WeakPolarHBondContact O-CB 3.28Å; Y752-M755 PolarHBondContact O-N 3.38Å; Y752-L756 HydrophobicContact CD1-CD1 4.08Å; Y752-L756 HydrophobicContact CD1-CG 4.29Å; Y752-L756 HydrophobicContact CE1-CD1 3.61Å; Y752-L756 HydrophobicContact CE1-CD2 4.48Å; Y752-L756 HydrophobicContact CE1-CG 4.09Å; Y752-L756 WeakPolarHBondContact O-CG 3.21Å; Y752-L756 PolarHBondContact O-N 3.02Å
753	Q	92.3	Very high	95	Very high	99 Å²	99	62.6 Å²	62.6	46%	0.463	28%	0.279	S	S	.	.	H	α-helix	trans	-61.4	-46.3	176.2	-175.7	59.1	50.5	0	0	111.7	R749 K750 M755 L756 D757	R749-Q753 WeakPolarHBondContact O-CB 3.48Å; R749-Q753 PolarHBondContact O-N 2.75Å; K750-Q753 PolarHBondContact O-N 2.99Å; Q753-M755 VanDerWaalsContact C-N 3.29Å; Q753-M755 PolarHBondContact O-N 3.47Å; Q753-L756 PolarHBondContact O-N 3.14Å; Q753-D757 PolarHBondContact NE2-OD1 2.9Å; Q753-D757 PolarHBondContact NE2-OD2 3.49Å; Q753-D757 PolarHBondContact O-N 3.38Å
754	R	96.8	Very high	94.8	Very high	71 Å²	71	63.8 Å²	63.8	27%	0.268	29%	0.286	S	S	.	.	H	α-helix	trans	-58.3	-42	176.3	-177	-179.4	178.9	-175.7	3.8	111.6	E680 E683 K750 D751 Y752 D757 L758	E680-R754 IonicContact OE1-CZ 3.03Å; E680-R754 IonicContact OE1-NH1 2.93Å; E680-R754 IonicContact OE1-NH2 2.62Å; E680-R754 PolarHBondContact OE1-NH2 2.65Å; E680-R754 IonicContact OE2-CZ 3.82Å; E680-R754 VanDerWaalsContact OE2-CZ 3.26Å; E680-R754 IonicContact OE2-NH1 2.95Å; E680-R754 PolarHBondContact OE2-NH1 2.88Å; E680-R754 IonicContact OE2-NH2 3.81Å; E680-R754 PolarHBondContact OE2-NH2 2.85Å; E683-R754 IonicContact OE1-NH2 2.7Å; E683-R754 PolarHBondContact OE1-NH2 3.37Å; K750-R754 WeakPolarHBondContact O-CB 3.39Å; K750-R754 PolarHBondContact O-N 3.46Å; D751-R754 PolarHBondContact O-N 3.43Å; Y752-R754 PolarHBondContact O-N 3.15Å; R754-D757 PolarHBondContact O-N 3.14Å; R754-L758 HydrophobicContact CG-CD1 3.98Å; R754-L758 HydrophobicContact CG-CG 4.38Å; R754-L758 WeakPolarHBondContact O-CB 3.19Å; R754-L758 VanDerWaalsContact O-CG 3.29Å; R754-L758 WeakPolarHBondContact O-CG 3.3Å; R754-L758 PolarHBondContact O-N 3.26Å
755	M	97.2	Very high	94.6	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.3	-46.6	178.8	-173.1	60.6	172	0	0	111.4	I682 L685 A686 V689 F744 F747 D751 Y752 Q753 L758 M759	I682-M755 HydrophobicContact CG1-SD 4.18Å; L685-M755 HydrophobicContact CB-CE 4.33Å; L685-M755 HydrophobicContact CD2-CE 3.91Å; L685-M755 HydrophobicContact CG-CE 3.67Å; A686-M755 HydrophobicContact CB-CE 4.04Å; A686-M755 HydrophobicContact CB-SD 3.61Å; V689-M755 HydrophobicContact CG2-CE 4.42Å; F744-M755 HydrophobicContact CD1-CE 4.1Å; F744-M755 HydrophobicContact CD1-CG 4.26Å; F744-M755 HydrophobicContact CD2-CG 3.96Å; F744-M755 HydrophobicContact CE1-CE 3.25Å; F744-M755 HydrophobicContact CE1-CG 4.19Å; F744-M755 HydrophobicContact CE1-SD 4.48Å; F744-M755 HydrophobicContact CE2-CE 3.95Å; F744-M755 HydrophobicContact CE2-CG 3.84Å; F744-M755 HydrophobicContact CG-CG 4.17Å; F744-M755 HydrophobicContact CZ-CE 3.15Å; F744-M755 HydrophobicContact CZ-CG 3.97Å; F744-M755 HydrophobicContact CZ-SD 4.44Å; F747-M755 HydrophobicContact CD2-CB 4.37Å; F747-M755 HydrophobicContact CE2-CB 4.19Å; F747-M755 HydrophobicContact CE2-CG 4.21Å; F747-M755 HydrophobicContact CE2-SD 4.47Å; D751-M755 VanDerWaalsContact O-CB 3.24Å; D751-M755 WeakPolarHBondContact O-CB 3.32Å; D751-M755 PolarHBondContact O-N 2.77Å; Y752-M755 WeakPolarHBondContact O-CB 3.28Å; Y752-M755 PolarHBondContact O-N 3.38Å; Q753-M755 VanDerWaalsContact C-N 3.29Å; Q753-M755 PolarHBondContact O-N 3.47Å; M755-L758 PolarHBondContact O-N 2.86Å; M755-M759 HydrophobicContact CE-SD 4.36Å; M755-M759 HydrophobicContact CG-SD 4.36Å; M755-M759 WeakPolarHBondContact O-CB 3.42Å; M755-M759 WeakPolarHBondContact O-CG 3.37Å; M755-M759 PolarHBondContact O-N 3.03Å
756	L	93.9	Very high	94.8	Very high	28 Å²	28	58.7 Å²	58.7	15%	0.147	26%	0.263	C	S	.	.	H	α-helix	trans	-65.9	-38.4	177.7	-61.9	-167.9	0	0	0	112.5	I733 L736 Y752 Q753 R760	I733-L756 HydrophobicContact CD1-CD1 4.26Å; I733-L756 HydrophobicContact CD1-CD2 3.6Å; I733-L756 HydrophobicContact CD1-CG 4.39Å; L736-L756 HydrophobicContact CD1-CD2 4.25Å; Y752-L756 HydrophobicContact CD1-CD1 4.08Å; Y752-L756 HydrophobicContact CD1-CG 4.29Å; Y752-L756 HydrophobicContact CE1-CD1 3.61Å; Y752-L756 HydrophobicContact CE1-CD2 4.48Å; Y752-L756 HydrophobicContact CE1-CG 4.09Å; Y752-L756 WeakPolarHBondContact O-CG 3.21Å; Y752-L756 PolarHBondContact O-N 3.02Å; Q753-L756 PolarHBondContact O-N 3.14Å; L756-R760 WeakPolarHBondContact O-CB 3.38Å; L756-R760 PolarHBondContact O-N 3.5Å
757	D	94.5	Very high	94.8	Very high	43 Å²	43	53.3 Å²	53.3	23%	0.23	24%	0.24	C	C	.	.	H	α-helix	trans	-65.9	-42.8	176.6	-71	-40.6	0	0	0	111.5	Q753 R754 R760 E761	Q753-D757 PolarHBondContact NE2-OD1 2.9Å; Q753-D757 PolarHBondContact NE2-OD2 3.49Å; Q753-D757 PolarHBondContact O-N 3.38Å; R754-D757 PolarHBondContact O-N 3.14Å; D757-R760 PolarHBondContact O-N 3.02Å; D757-R760 IonicContact OD1-CZ 2.84Å; D757-R760 IonicContact OD1-NH1 2.66Å; D757-R760 PolarHBondContact OD1-NH1 3.19Å; D757-R760 IonicContact OD1-NH2 3.01Å; D757-R760 PolarHBondContact OD1-NH2 2.93Å; D757-E761 WeakPolarHBondContact O-CG 3.36Å; D757-E761 PolarHBondContact O-N 3.35Å
758	L	98	Very high	94.6	Very high	15 Å²	15	54.6 Å²	54.6	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-61.4	-49.1	173.9	-73.8	168.3	0	0	0	111.4	E683 A686 R754 M755 R760 E761 I762 L798	E683-L758 HydrophobicContact CG-CD1 3.96Å; E683-L758 HydrophobicContact CG-CD2 4.27Å; A686-L758 HydrophobicContact CB-CB 3.6Å; A686-L758 HydrophobicContact CB-CD1 4Å; A686-L758 HydrophobicContact CB-CG 4.42Å; R754-L758 HydrophobicContact CG-CD1 3.98Å; R754-L758 HydrophobicContact CG-CG 4.38Å; R754-L758 WeakPolarHBondContact O-CB 3.19Å; R754-L758 VanDerWaalsContact O-CG 3.29Å; R754-L758 WeakPolarHBondContact O-CG 3.3Å; R754-L758 PolarHBondContact O-N 3.26Å; M755-L758 PolarHBondContact O-N 2.86Å; L758-R760 VanDerWaalsContact C-N 3.28Å; L758-R760 PolarHBondContact O-N 3.34Å; L758-E761 PolarHBondContact O-N 3.08Å; L758-I762 HydrophobicContact CB-CD1 4.44Å; L758-I762 WeakPolarHBondContact O-CB 3.1Å; L758-I762 WeakPolarHBondContact O-CD1 3.33Å; L758-I762 WeakPolarHBondContact O-CG1 3.46Å; L758-I762 PolarHBondContact O-N 3.32Å; L758-L798 HydrophobicContact CD2-CD1 3.97Å
759	M	97.9	Very high	94.4	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-58.6	-41.1	177.6	-73.5	177.7	63	0	0	112	V689 S690 F729 A732 L736 F744 M755 I763	V689-M759 HydrophobicContact CG1-CE 3.78Å; V689-M759 HydrophobicContact CG1-SD 4.17Å; S690-M759 WeakPolarHBondContact OG-CA 3.26Å; F729-M759 HydrophobicContact CD2-CB 4.47Å; F729-M759 HydrophobicContact CE2-CB 4.12Å; A732-M759 HydrophobicContact CB-CE 4.34Å; L736-M759 HydrophobicContact CD1-CE 4.09Å; L736-M759 HydrophobicContact CD1-SD 4.33Å; F744-M759 HydrophobicContact CE2-SD 3.72Å; F744-M759 HydrophobicContact CZ-SD 4.09Å; M755-M759 HydrophobicContact CE-SD 4.36Å; M755-M759 HydrophobicContact CG-SD 4.36Å; M755-M759 WeakPolarHBondContact O-CB 3.42Å; M755-M759 WeakPolarHBondContact O-CG 3.37Å; M755-M759 PolarHBondContact O-N 3.03Å; M759-I763 WeakPolarHBondContact O-CB 3.24Å; M759-I763 VanDerWaalsContact O-CG1 3.3Å; M759-I763 WeakPolarHBondContact O-CG1 3.32Å; M759-I763 PolarHBondContact O-N 3.06Å
760	R	95.2	Very high	94.4	Very high	96 Å²	96	45.5 Å²	45.5	36%	0.362	22%	0.217	S	C	.	.	H	α-helix	trans	-61.6	-48.9	176.5	-173.7	-178.7	63.7	-130.2	-9.9	111.3	F729 L756 D757 L758 L764	F729-R760 HydrophobicContact CD1-CB 4.38Å; F729-R760 HydrophobicContact CD1-CG 4.1Å; F729-R760 HydrophobicContact CD2-CB 3.99Å; F729-R760 HydrophobicContact CD2-CG 4.48Å; F729-R760 HydrophobicContact CE1-CB 4.04Å; F729-R760 HydrophobicContact CE1-CG 3.99Å; F729-R760 HydrophobicContact CE2-CB 3.63Å; F729-R760 HydrophobicContact CE2-CG 4.38Å; F729-R760 HydrophobicContact CG-CB 4.35Å; F729-R760 HydrophobicContact CG-CG 4.35Å; F729-R760 HydrophobicContact CZ-CB 3.65Å; F729-R760 HydrophobicContact CZ-CG 4.13Å; L756-R760 WeakPolarHBondContact O-CB 3.38Å; L756-R760 PolarHBondContact O-N 3.5Å; D757-R760 PolarHBondContact O-N 3.02Å; D757-R760 IonicContact OD1-CZ 2.84Å; D757-R760 IonicContact OD1-NH1 2.66Å; D757-R760 PolarHBondContact OD1-NH1 3.19Å; D757-R760 IonicContact OD1-NH2 3.01Å; D757-R760 PolarHBondContact OD1-NH2 2.93Å; L758-R760 VanDerWaalsContact C-N 3.28Å; L758-R760 PolarHBondContact O-N 3.34Å; R760-L764 HydrophobicContact CG-CD1 3.91Å; R760-L764 WeakPolarHBondContact O-CB 3.45Å; R760-L764 WeakPolarHBondContact O-CG 3.42Å; R760-L764 PolarHBondContact O-N 2.87Å
761	E	94.8	Very high	94.3	Very high	88 Å²	88	37.2 Å²	37.2	41%	0.411	18%	0.181	S	C	.	.	H	α-helix	trans	-63.4	-43.7	-179.5	-73.9	178.2	-166.2	0	0	111.8	D757 L758 L764 A765	D757-E761 WeakPolarHBondContact O-CG 3.36Å; D757-E761 PolarHBondContact O-N 3.35Å; L758-E761 PolarHBondContact O-N 3.08Å; E761-L764 PolarHBondContact O-N 3.33Å; E761-A765 WeakPolarHBondContact O-CB 3.24Å; E761-A765 PolarHBondContact O-N 2.93Å
762	I	97.9	Very high	94.1	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-68	-46.1	-177.6	-64.7	166.3	0	0	0	111.3	A686 L687 S690 L758 A765 L798 M802	A686-I762 HydrophobicContact CB-CD1 4.03Å; L687-I762 HydrophobicContact CB-CD1 4.25Å; L687-I762 HydrophobicContact CD1-CG2 3.81Å; S690-I762 VanDerWaalsContact CB-CG2 3.4Å; L758-I762 HydrophobicContact CB-CD1 4.44Å; L758-I762 WeakPolarHBondContact O-CB 3.1Å; L758-I762 WeakPolarHBondContact O-CD1 3.33Å; L758-I762 WeakPolarHBondContact O-CG1 3.46Å; L758-I762 PolarHBondContact O-N 3.32Å; I762-A765 WeakPolarHBondContact O-CB 3.34Å; I762-A765 PolarHBondContact O-N 3.46Å; I762-A765 VanDerWaalsContact O-N 3.16Å; I762-L798 HydrophobicContact CD1-CD1 4.35Å; I762-L798 HydrophobicContact CD1-CD2 4.15Å; I762-L798 HydrophobicContact CG1-CB 4.26Å; I762-M802 HydrophobicContact CG2-CB 3.88Å; I762-M802 HydrophobicContact CG2-CG 3.69Å; I762-M802 HydrophobicContact CG2-SD 3.73Å
763	I	97.1	Very high	94.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.6	-40	177.6	-67	175	0	0	0	110.6	C693 H694 E725 H728 F729 M759 A765 T766	C693-I763 HydrophobicContact CB-CD1 4.24Å; H694-I763 HydrophobicContact CB-CG1 4.36Å; E725-I763 WeakPolarHBondContact O-CG2 3.21Å; H728-I763 HydrophobicContact CB-CG2 4.08Å; F729-I763 HydrophobicContact CB-CD1 4.4Å; F729-I763 HydrophobicContact CB-CG2 4.24Å; F729-I763 HydrophobicContact CD2-CD1 4.29Å; M759-I763 WeakPolarHBondContact O-CB 3.24Å; M759-I763 VanDerWaalsContact O-CG1 3.3Å; M759-I763 WeakPolarHBondContact O-CG1 3.32Å; M759-I763 PolarHBondContact O-N 3.06Å; I763-A765 PolarHBondContact O-N 2.97Å; I763-T766 PolarHBondContact O-N 2.92Å; I763-T766 PolarHBondContact O-OG1 3.15Å
764	L	92.9	Very high	94.2	Very high	32 Å²	32	39.7 Å²	39.7	17%	0.168	19%	0.189	C	C	.	.	H	α-helix	trans	-67.4	-22.4	175.9	-68.1	176.1	0	0	0	113.2	E725 R726 R760 E761 T766	E725-L764 HydrophobicContact CB-CD2 3.87Å; R726-L764 HydrophobicContact CB-CD2 4.41Å; R726-L764 HydrophobicContact CG-CD2 3.57Å; R760-L764 HydrophobicContact CG-CD1 3.91Å; R760-L764 WeakPolarHBondContact O-CB 3.45Å; R760-L764 WeakPolarHBondContact O-CG 3.42Å; R760-L764 PolarHBondContact O-N 2.87Å; E761-L764 PolarHBondContact O-N 3.33Å; L764-T766 VanDerWaalsContact C-N 3.27Å; L764-T766 PolarHBondContact O-N 2.83Å
765	A	92.9	Very high	94.1	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.008	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-8.5	177.5	0	0	0	0	0	113.8	E761 I762 I763 D767 C799	E761-A765 WeakPolarHBondContact O-CB 3.24Å; E761-A765 PolarHBondContact O-N 2.93Å; I762-A765 WeakPolarHBondContact O-CB 3.34Å; I762-A765 PolarHBondContact O-N 3.46Å; I762-A765 VanDerWaalsContact O-N 3.16Å; I763-A765 PolarHBondContact O-N 2.97Å; A765-D767 PolarHBondContact O-N 3.24Å; A765-C799 HydrophobicContact CB-CB 3.91Å; A765-C799 VanDerWaalsContact CB-SG 3.57Å
766	T	94.5	Very high	94	Very high	11 Å²	11	45.5 Å²	45.5	7%	0.067	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-19.9	172.5	62	0	0	0	0	112.5	H694 E725 I763 L764 L768 M802	H694-T766 HydrophobicContact CB-CG2 3.91Å; E725-T766 WeakPolarHBondContact CG-OG1 3.31Å; I763-T766 PolarHBondContact O-N 2.92Å; I763-T766 PolarHBondContact O-OG1 3.15Å; L764-T766 VanDerWaalsContact C-N 3.27Å; L764-T766 PolarHBondContact O-N 2.83Å; T766-L768 PolarHBondContact O-N 3.41Å; T766-M802 HydrophobicContact CG2-CE 3.67Å; T766-M802 HydrophobicContact CG2-CG 3.55Å; T766-M802 HydrophobicContact CG2-SD 4.16Å
767	D	93.1	Very high	94.1	Very high	19 Å²	19	46.8 Å²	46.8	10%	0.102	22%	0.224	C	C	.	.	S	Bend	trans	-61.5	112.8	171.3	-179.1	-4.5	0	0	0	109.8	S722 E725 A765 A769 H770 H771	S722-D767 PolarHBondContact OG-OD2 2.92Å; E725-D767 HydrophobicContact CG-CB 4.1Å; A765-D767 PolarHBondContact O-N 3.24Å; D767-A769 PolarHBondContact O-N 3.28Å; D767-A769 VanDerWaalsContact O-N 3.12Å; D767-A769 VanDerWaalsContact OD1-CB 3.28Å; D767-A769 WeakPolarHBondContact OD1-CB 3.27Å; D767-A769 PolarHBondContact OD1-N 3.17Å; D767-H770 HydrophobicContact CB-CB 4.16Å; D767-H770 WeakPolarHBondContact O-CA 3.38Å; D767-H770 WeakPolarHBondContact O-CB 3.24Å; D767-H770 PolarHBondContact O-N 2.88Å; D767-H771 PolarHBondContact O-N 3.13Å; D767-H771 VanDerWaalsContact O-N 3.11Å
768	L	90.2	Very high	94.2	Very high	57 Å²	57	44.8 Å²	44.8	30%	0.298	21%	0.213	S	C	.	.	H	α-helix	trans	-60	-27.8	-178.9	-166.9	64.8	0	0	0	112.6	T766 H770 H771 L772 T803 I864	T766-L768 PolarHBondContact O-N 3.41Å; L768-H770 VanDerWaalsContact C-N 3.28Å; L768-H770 PolarHBondContact O-N 3.32Å; L768-H771 HydrophobicContact CD1-CB 4.22Å; L768-H771 WeakPolarHBondContact O-CB 3.32Å; L768-H771 PolarHBondContact O-N 2.99Å; L768-L772 WeakPolarHBondContact O-CG 3.3Å; L768-L772 PolarHBondContact O-N 2.74Å; L768-T803 HydrophobicContact CD1-CG2 4.42Å; L768-I864 HydrophobicContact CD1-CG2 3.68Å; L768-I864 HydrophobicContact CD2-CD1 4.19Å; L768-I864 HydrophobicContact CD2-CG1 4.3Å; L768-I864 HydrophobicContact CD2-CG2 4.01Å; L768-I864 HydrophobicContact CG-CG2 4.42Å
769	A	89.6	Confident	94	Very high	46 Å²	46	47.9 Å²	47.9	38%	0.38	23%	0.227	S	C	.	.	H	α-helix	trans	-66.9	-31.8	172.7	0	0	0	0	0	111.9	D767 R773	D767-A769 PolarHBondContact O-N 3.28Å; D767-A769 VanDerWaalsContact O-N 3.12Å; D767-A769 VanDerWaalsContact OD1-CB 3.28Å; D767-A769 WeakPolarHBondContact OD1-CB 3.27Å; D767-A769 PolarHBondContact OD1-N 3.17Å; A769-R773 WeakPolarHBondContact O-CG 3.45Å; A769-R773 PolarHBondContact O-N 2.69Å; A769-R773 PolarHBondContact O-NH1 2.66Å
770	H	89.6	Confident	93.9	Very high	54 Å²	54	55.1 Å²	55.1	25%	0.25	25%	0.254	C	S	.	.	H	α-helix	trans	-66.3	-48.9	170	-176.1	93.8	0	0	0	111.1	D767 L768 L772 R773 I774	D767-H770 HydrophobicContact CB-CB 4.16Å; D767-H770 WeakPolarHBondContact O-CA 3.38Å; D767-H770 WeakPolarHBondContact O-CB 3.24Å; D767-H770 PolarHBondContact O-N 2.88Å; L768-H770 VanDerWaalsContact C-N 3.28Å; L768-H770 PolarHBondContact O-N 3.32Å; H770-L772 VanDerWaalsContact C-N 3.31Å; H770-L772 PolarHBondContact O-N 3.35Å; H770-R773 WeakPolarHBondContact O-CB 3.3Å; H770-R773 PolarHBondContact O-N 3.12Å; H770-I774 PolarHBondContact O-N 2.91Å
771	H	92.7	Very high	93.9	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.009	24%	0.238	C	C	.	.	H	α-helix	trans	-53	-48.4	177.8	-178.9	83	0	0	0	112.2	D767 L768 R773 I774 F775 T803 I868	D767-H771 PolarHBondContact O-N 3.13Å; D767-H771 VanDerWaalsContact O-N 3.11Å; L768-H771 HydrophobicContact CD1-CB 4.22Å; L768-H771 WeakPolarHBondContact O-CB 3.32Å; L768-H771 PolarHBondContact O-N 2.99Å; H771-R773 VanDerWaalsContact C-N 3.26Å; H771-R773 PolarHBondContact O-N 3.49Å; H771-I774 VanDerWaalsContact O-CG1 3.31Å; H771-I774 WeakPolarHBondContact O-CG1 3.4Å; H771-I774 PolarHBondContact O-N 3.3Å; H771-I774 VanDerWaalsContact O-N 3.15Å; H771-F775 AromaticContact NE2-CD2 3.51Å; H771-F775 PolarHBondContact O-N 3.1Å; H771-T803 HydrophobicContact CB-CG2 4.37Å; H771-T803 PolarHBondContact ND1-OG1 3.17Å; H771-I868 WeakPolarHBondContact NE2-CG1 3.22Å
772	L	92.6	Very high	93.8	Very high	98 Å²	98	47.5 Å²	47.5	51%	0.513	23%	0.227	S	C	.	.	H	α-helix	trans	-62.3	-30.1	179.2	-68.6	174.4	0	0	0	113.4	L768 H770 I864	L768-L772 WeakPolarHBondContact O-CG 3.3Å; L768-L772 PolarHBondContact O-N 2.74Å; H770-L772 VanDerWaalsContact C-N 3.31Å; H770-L772 PolarHBondContact O-N 3.35Å; L772-I864 HydrophobicContact CD1-CD1 4.44Å; L772-I864 HydrophobicContact CD2-CD1 3.86Å
773	R	93.3	Very high	93.5	Very high	148 Å²	148	53.4 Å²	53.4	56%	0.558	26%	0.258	S	S	*	.	H	α-helix	trans	-69.3	-41.9	175.1	-73.4	-177.2	-65.7	-103.5	5.4	111.8	A769 H770 H771	A769-R773 WeakPolarHBondContact O-CG 3.45Å; A769-R773 PolarHBondContact O-N 2.69Å; A769-R773 PolarHBondContact O-NH1 2.66Å; H770-R773 WeakPolarHBondContact O-CB 3.3Å; H770-R773 PolarHBondContact O-N 3.12Å; H771-R773 VanDerWaalsContact C-N 3.26Å; H771-R773 PolarHBondContact O-N 3.49Å
774	I	94.4	Very high	93.2	Very high	22 Å²	22	60 Å²	60	11%	0.113	29%	0.293	C	S	.	.	H	α-helix	trans	-88.7	-8.6	-176.6	66.7	168.1	0	0	0	113.5	H770 H771 K776 D777 L778 L796 C799	H770-I774 PolarHBondContact O-N 2.91Å; H771-I774 VanDerWaalsContact O-CG1 3.31Å; H771-I774 WeakPolarHBondContact O-CG1 3.4Å; H771-I774 PolarHBondContact O-N 3.3Å; H771-I774 VanDerWaalsContact O-N 3.15Å; I774-K776 VanDerWaalsContact C-N 3.26Å; I774-K776 PolarHBondContact O-N 3.08Å; I774-K776 VanDerWaalsContact O-N 3.14Å; I774-D777 WeakPolarHBondContact O-CA 3.18Å; I774-D777 VanDerWaalsContact O-CB 3.32Å; I774-D777 WeakPolarHBondContact O-CB 3.45Å; I774-D777 PolarHBondContact O-N 3.29Å; I774-L778 HydrophobicContact CD1-CD1 4.29Å; I774-L778 HydrophobicContact CG1-CD1 4.25Å; I774-L778 HydrophobicContact CG1-CG 4.48Å; I774-L778 PolarHBondContact O-N 3.49Å; I774-L796 HydrophobicContact CB-CD2 4.33Å; I774-L796 HydrophobicContact CD1-CD2 4.42Å; I774-C799 HydrophobicContact CD1-CB 3.6Å
775	F	94.8	Very high	93.1	Very high	41 Å²	41	60.1 Å²	60.1	18%	0.18	30%	0.303	C	S	.	.	H	α-helix	trans	-54.1	-38.6	-174.1	-173.3	-100.6	0	0	0	114	H771 D777 L778 Q779 P867 L871	H771-F775 AromaticContact NE2-CD2 3.51Å; H771-F775 PolarHBondContact O-N 3.1Å; F775-D777 VanDerWaalsContact C-N 3.27Å; F775-D777 PolarHBondContact O-N 3.21Å; F775-L778 WeakPolarHBondContact O-CB 3.26Å; F775-L778 PolarHBondContact O-N 3.39Å; F775-Q779 HydrophobicContact CD1-CG 4.24Å; F775-Q779 VanDerWaalsContact CE1-CD 3.42Å; F775-Q779 HydrophobicContact CE1-CG 3.88Å; F775-Q779 VanDerWaalsContact CE1-NE2 3.3Å; F775-Q779 HydrophobicContact CZ-CG 4.25Å; F775-Q779 WeakPolarHBondContact O-CG 3.32Å; F775-Q779 PolarHBondContact O-N 3.38Å; F775-P867 HydrophobicContact CE2-CB 3.9Å; F775-P867 HydrophobicContact CZ-CB 3.62Å; F775-L871 HydrophobicContact CD2-CD1 4.01Å; F775-L871 HydrophobicContact CE2-CD1 3.37Å; F775-L871 HydrophobicContact CE2-CG 4.44Å; F775-L871 HydrophobicContact CZ-CD1 3.74Å
776	K	94.9	Very high	93.1	Very high	153 Å²	153	62.2 Å²	62.2	67%	0.665	31%	0.311	S	S	*	.	H	α-helix	trans	-65.7	-30.7	175.7	-68.6	-177.2	-179.7	177.1	0	112.9	I774 R780	I774-K776 VanDerWaalsContact C-N 3.26Å; I774-K776 PolarHBondContact O-N 3.08Å; I774-K776 VanDerWaalsContact O-N 3.14Å; K776-R780 WeakPolarHBondContact O-CG 3.43Å; K776-R780 PolarHBondContact O-N 3.19Å; K776-R780 VanDerWaalsContact O-N 3.15Å
777	D	95.9	Very high	93	Very high	55 Å²	55	65.3 Å²	65.3	29%	0.294	33%	0.327	S	S	.	.	H	α-helix	trans	-75.3	-36	176.4	-58.7	-30.2	0	0	0	110.7	I774 F775 R780 M781 L796	I774-D777 WeakPolarHBondContact O-CA 3.18Å; I774-D777 VanDerWaalsContact O-CB 3.32Å; I774-D777 WeakPolarHBondContact O-CB 3.45Å; I774-D777 PolarHBondContact O-N 3.29Å; F775-D777 VanDerWaalsContact C-N 3.27Å; F775-D777 PolarHBondContact O-N 3.21Å; D777-R780 PolarHBondContact O-N 3.49Å; D777-R780 IonicContact OD1-CZ 3.48Å; D777-R780 IonicContact OD1-NE 3.6Å; D777-R780 IonicContact OD1-NH2 2.62Å; D777-R780 PolarHBondContact OD1-NH2 2.87Å; D777-M781 WeakPolarHBondContact O-CB 3.48Å; D777-M781 PolarHBondContact O-N 3.41Å; D777-L796 HydrophobicContact CB-CD1 4.1Å; D777-L796 HydrophobicContact CB-CD2 3.99Å
778	L	95.8	Very high	92.9	Very high	1 Å²	1	68 Å²	68	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-61.7	-43.9	171.4	-62.4	175.9	0	0	0	111.8	I774 F775 M781 A782 L796 L800 L871	I774-L778 HydrophobicContact CD1-CD1 4.29Å; I774-L778 HydrophobicContact CG1-CD1 4.25Å; I774-L778 HydrophobicContact CG1-CG 4.48Å; I774-L778 PolarHBondContact O-N 3.49Å; F775-L778 WeakPolarHBondContact O-CB 3.26Å; F775-L778 PolarHBondContact O-N 3.39Å; L778-M781 HydrophobicContact CD2-CE 4.09Å; L778-M781 WeakPolarHBondContact O-CB 3.27Å; L778-M781 PolarHBondContact O-N 2.82Å; L778-A782 PolarHBondContact O-N 3.49Å; L778-L796 HydrophobicContact CD2-CB 3.82Å; L778-L796 HydrophobicContact CD2-CD2 4.01Å; L778-L796 HydrophobicContact CD2-CG 4.45Å; L778-L796 VanDerWaalsContact CD2-O 3.26Å; L778-L796 WeakPolarHBondContact CD2-O 3.19Å; L778-L800 HydrophobicContact CD1-CB 4.24Å; L778-L800 HydrophobicContact CD1-CD1 4.23Å; L778-L800 HydrophobicContact CD2-CB 4.01Å; L778-L871 HydrophobicContact CB-CD1 4.02Å
779	Q	94.8	Very high	93	Very high	80 Å²	80	74.4 Å²	74.4	37%	0.374	37%	0.369	S	S	.	.	H	α-helix	trans	-59.9	-48.2	174.6	-72.5	-178.2	-46.2	0	0	111.7	F775 M781 A782 D783 L871	F775-Q779 HydrophobicContact CD1-CG 4.24Å; F775-Q779 VanDerWaalsContact CE1-CD 3.42Å; F775-Q779 HydrophobicContact CE1-CG 3.88Å; F775-Q779 VanDerWaalsContact CE1-NE2 3.3Å; F775-Q779 HydrophobicContact CZ-CG 4.25Å; F775-Q779 WeakPolarHBondContact O-CG 3.32Å; F775-Q779 PolarHBondContact O-N 3.38Å; Q779-M781 VanDerWaalsContact C-N 3.3Å; Q779-M781 PolarHBondContact O-N 3.28Å; Q779-A782 WeakPolarHBondContact O-CB 3.18Å; Q779-A782 PolarHBondContact O-N 2.99Å; Q779-A782 VanDerWaalsContact O-N 3.08Å; Q779-D783 PolarHBondContact O-N 2.8Å; Q779-L871 HydrophobicContact CG-CD1 4.19Å; Q779-L871 HydrophobicContact CG-CD2 4.01Å
780	R	94.4	Very high	93.2	Very high	151 Å²	151	73.6 Å²	73.6	57%	0.57	36%	0.361	S	S	*	.	H	α-helix	trans	-59.6	-40.7	176.4	-74	-170	-75.2	-177.2	-3.4	112.5	K776 D777 A782 D783 D784	K776-R780 WeakPolarHBondContact O-CG 3.43Å; K776-R780 PolarHBondContact O-N 3.19Å; K776-R780 VanDerWaalsContact O-N 3.15Å; D777-R780 PolarHBondContact O-N 3.49Å; D777-R780 IonicContact OD1-CZ 3.48Å; D777-R780 IonicContact OD1-NE 3.6Å; D777-R780 IonicContact OD1-NH2 2.62Å; D777-R780 PolarHBondContact OD1-NH2 2.87Å; R780-A782 VanDerWaalsContact C-N 3.3Å; R780-A782 PolarHBondContact O-N 2.84Å; R780-D783 PolarHBondContact O-N 3.36Å; R780-D784 VanDerWaalsContact O-CB 3.28Å; R780-D784 WeakPolarHBondContact O-CB 3.43Å; R780-D784 PolarHBondContact O-N 2.94Å
781	M	95.3	Very high	93.3	Very high	4 Å²	4	81.1 Å²	81.1	2%	0.02	39%	0.387	C	S	.	.	H	α-helix	trans	-62.1	-37.4	175.5	-179.1	-177.5	70.8	0	0	112.2	D777 L778 Q779 G785 Y786 H793 L796 L797 L875	D777-M781 WeakPolarHBondContact O-CB 3.48Å; D777-M781 PolarHBondContact O-N 3.41Å; L778-M781 HydrophobicContact CD2-CE 4.09Å; L778-M781 WeakPolarHBondContact O-CB 3.27Å; L778-M781 PolarHBondContact O-N 2.82Å; Q779-M781 VanDerWaalsContact C-N 3.3Å; Q779-M781 PolarHBondContact O-N 3.28Å; M781-G785 CarbonylContact O-C 3.51Å; M781-G785 PolarHBondContact O-N 3.38Å; M781-Y786 HydrophobicContact CG-CD2 4.28Å; M781-Y786 HydrophobicContact SD-CD2 3.85Å; M781-Y786 HydrophobicContact SD-CE2 4.19Å; M781-H793 HydrophobicContact CG-CB 4.39Å; M781-H793 HydrophobicContact SD-CB 3.89Å; M781-L796 HydrophobicContact CE-CB 4.22Å; M781-L796 HydrophobicContact SD-CB 3.77Å; M781-L796 HydrophobicContact SD-CD1 4.36Å; M781-L797 HydrophobicContact CE-CB 4.34Å; M781-L875 HydrophobicContact CE-CD1 3.92Å
782	A	92.5	Very high	93.4	Very high	21 Å²	21	85.8 Å²	85.8	17%	0.174	41%	0.412	C	S	.	.	H	α-helix	trans	-70.7	-44.3	175.4	0	0	0	0	0	112	L778 Q779 R780 G785 L871 L875	L778-A782 PolarHBondContact O-N 3.49Å; Q779-A782 WeakPolarHBondContact O-CB 3.18Å; Q779-A782 PolarHBondContact O-N 2.99Å; Q779-A782 VanDerWaalsContact O-N 3.08Å; R780-A782 VanDerWaalsContact C-N 3.3Å; R780-A782 PolarHBondContact O-N 2.84Å; A782-G785 PolarHBondContact O-N 2.9Å; A782-L871 HydrophobicContact CB-CD2 3.87Å; A782-L875 HydrophobicContact CB-CD2 4.02Å; A782-L875 HydrophobicContact CB-CG 4.13Å
783	D	92.6	Very high	93.6	Very high	126 Å²	126	82.9 Å²	82.9	67%	0.674	40%	0.396	S	S	*	.	H	α-helix	trans	-67	-45.1	-179.3	-69.4	-29	0	0	0	112.8	Q779 R780 G785	Q779-D783 PolarHBondContact O-N 2.8Å; R780-D783 PolarHBondContact O-N 3.36Å; D783-G785 VanDerWaalsContact C-N 3.28Å; D783-G785 PolarHBondContact O-N 3.44Å
784	D	90.6	Very high	93.7	Very high	137 Å²	137	76.4 Å²	76.4	73%	0.733	37%	0.372	S	S	*	.	H	α-helix	trans	-79.8	-12.9	-178.7	-67.5	-24.6	0	0	0	112.6	R780	R780-D784 VanDerWaalsContact O-CB 3.28Å; R780-D784 WeakPolarHBondContact O-CB 3.43Å; R780-D784 PolarHBondContact O-N 2.94Å
785	G	89.8	Confident	93.8	Very high	36 Å²	36	77.1 Å²	77.1	37%	0.371	38%	0.379	S	S	.	.			trans	87.3	145.8	-174.2	0	0	0	0	0	113.8	M781 A782 D783	M781-G785 CarbonylContact O-C 3.51Å; M781-G785 PolarHBondContact O-N 3.38Å; A782-G785 PolarHBondContact O-N 2.9Å; D783-G785 VanDerWaalsContact C-N 3.28Å; D783-G785 PolarHBondContact O-N 3.44Å
786	Y	93.5	Very high	93.9	Very high	45 Å²	45	75.8 Å²	75.8	18%	0.176	37%	0.373	C	S	.	.			trans	-71.5	138.1	179.1	-176.8	-97.1	0	0	0	112.4	Y678 M781 T788 H793 H794 L797	Y678-Y786 AromaticContact CD1-CD1 3.76Å; Y678-Y786 HydrophobicContact CD1-CD1 3.76Å; Y678-Y786 AromaticContact CD1-CE1 3.94Å; Y678-Y786 HydrophobicContact CD1-CE1 3.94Å; Y678-Y786 HydrophobicContact CG-CE1 4.46Å; Y678-Y786 PolarHBondContact O-OH 3.46Å; Y678-Y786 VanDerWaalsContact O-OH 3.09Å; M781-Y786 HydrophobicContact CG-CD2 4.28Å; M781-Y786 HydrophobicContact SD-CD2 3.85Å; M781-Y786 HydrophobicContact SD-CE2 4.19Å; Y786-T788 HydrophobicContact CD1-CG2 4.08Å; Y786-T788 HydrophobicContact CE1-CG2 3.75Å; Y786-H793 HydrophobicContact CD2-CB 3.94Å; Y786-H793 HydrophobicContact CE2-CB 3.68Å; Y786-H793 WeakPolarHBondContact CE2-O 3.5Å; Y786-H794 AromaticContact CZ-CD2 3.98Å; Y786-H794 PolarHBondContact OH-CD2 3.3Å; Y786-H794 PolarHBondContact OH-NE2 3.22Å; Y786-L797 HydrophobicContact CD2-CD2 4.25Å; Y786-L797 HydrophobicContact CE1-CD2 4.37Å; Y786-L797 HydrophobicContact CE2-CB 3.76Å; Y786-L797 HydrophobicContact CE2-CD2 3.53Å; Y786-L797 HydrophobicContact CE2-CG 4.23Å
787	N	93.2	Very high	94	Very high	76 Å²	76	68.5 Å²	68.5	41%	0.406	34%	0.342	S	S	.	.			trans	-122.5	108.9	-178.8	-179.8	-3.8	0	0	0	110.4	K789 S790 H793	N787-K789 PolarHBondContact O-N 3.15Å; N787-K789 VanDerWaalsContact O-N 3.09Å; N787-K789 PolarHBondContact OD1-N 3.4Å; N787-S790 WeakPolarHBondContact O-CB 3.39Å; N787-S790 PolarHBondContact O-N 3.02Å; N787-H793 PolarHBondContact N-ND1 2.94Å
788	T	91.4	Very high	94.1	Very high	75 Å²	75	66 Å²	66	46%	0.46	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-5.7	-179.4	55.6	0	0	0	0	115	Y786 H794	Y786-T788 HydrophobicContact CD1-CG2 4.08Å; Y786-T788 HydrophobicContact CE1-CG2 3.75Å; T788-H794 VanDerWaalsContact C-NE2 3.33Å; T788-H794 PolarHBondContact O-NE2 2.71Å
789	K	91.2	Very high	94.2	Very high	191 Å²	191	66.4 Å²	66.4	83%	0.83	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-10.1	174.3	-61.8	-177.2	-179	178	0	112.5	N787	N787-K789 PolarHBondContact O-N 3.15Å; N787-K789 VanDerWaalsContact O-N 3.09Å; N787-K789 PolarHBondContact OD1-N 3.4Å
790	S	94.3	Very high	94.4	Very high	29 Å²	29	62.6 Å²	62.6	20%	0.203	31%	0.313	C	S	.	.			trans	-91.7	110.4	-176.2	-179.7	0	0	0	0	110.2	N787 N792 H793 H794	N787-S790 WeakPolarHBondContact O-CB 3.39Å; N787-S790 PolarHBondContact O-N 3.02Å; S790-N792 PolarHBondContact O-N 3.01Å; S790-H793 PolarHBondContact O-N 3.31Å; S790-H793 PolarHBondContact OG-CD2 3.42Å; S790-H793 VanDerWaalsContact OG-CD2 3.3Å; S790-H793 PolarHBondContact OG-N 3.12Å; S790-H794 PolarHBondContact O-CD2 3Å; S790-H794 PolarHBondContact O-N 3.41Å
791	R	92.2	Very high	94.5	Very high	213 Å²	213	55.4 Å²	55.4	80%	0.804	29%	0.286	S	S	*	.	H	α-helix	trans	-57	-32.9	173.9	-71	-171.4	175	-174.2	-2.6	112.9	H794 S795	R791-H794 PolarHBondContact O-N 3.31Å; R791-S795 PolarHBondContact O-N 3.37Å
792	N	94.2	Very high	94.7	Very high	100 Å²	100	55.2 Å²	55.2	54%	0.535	29%	0.285	S	S	.	.	H	α-helix	trans	-66.1	-41.3	176.1	-170.1	52.7	0	0	0	111.5	S790 H794 S795 L796	S790-N792 PolarHBondContact O-N 3.01Å; N792-H794 VanDerWaalsContact C-N 3.33Å; N792-S795 PolarHBondContact O-N 3.22Å; N792-L796 WeakPolarHBondContact O-CB 3.49Å; N792-L796 VanDerWaalsContact O-CG 3.31Å; N792-L796 WeakPolarHBondContact O-CG 3.44Å; N792-L796 PolarHBondContact O-N 3.42Å
793	H	96.1	Very high	94.9	Very high	36 Å²	36	54.3 Å²	54.3	17%	0.167	28%	0.277	C	S	.	.	H	α-helix	trans	-67.9	-36.5	177.1	-69.2	-152.3	0	0	0	110.6	M781 Y786 N787 S790 L797	M781-H793 HydrophobicContact CG-CB 4.39Å; M781-H793 HydrophobicContact SD-CB 3.89Å; Y786-H793 HydrophobicContact CD2-CB 3.94Å; Y786-H793 HydrophobicContact CE2-CB 3.68Å; Y786-H793 WeakPolarHBondContact CE2-O 3.5Å; N787-H793 PolarHBondContact N-ND1 2.94Å; S790-H793 PolarHBondContact O-N 3.31Å; S790-H793 PolarHBondContact OG-CD2 3.42Å; S790-H793 VanDerWaalsContact OG-CD2 3.3Å; S790-H793 PolarHBondContact OG-N 3.12Å; H793-L797 WeakPolarHBondContact O-CB 3.17Å; H793-L797 PolarHBondContact O-N 3.45Å
794	H	96.7	Very high	95.1	Very high	13 Å²	13	48.3 Å²	48.3	6%	0.06	25%	0.245	C	C	.	.	H	α-helix	trans	-59.5	-50.4	173	-73.5	-138.5	0	0	0	111.4	L679 E683 Y786 T788 S790 R791 N792 L796 L797 L798	L679-H794 HydrophobicContact CD2-CB 4.18Å; E683-H794 IonicContact OE1-ND1 3.65Å; E683-H794 PolarHBondContact OE1-ND1 3.2Å; E683-H794 IonicContact OE2-CE1 2.85Å; E683-H794 IonicContact OE2-CG 2.84Å; E683-H794 IonicContact OE2-ND1 3.4Å; E683-H794 PolarHBondContact OE2-ND1 3.41Å; Y786-H794 AromaticContact CZ-CD2 3.98Å; Y786-H794 PolarHBondContact OH-CD2 3.3Å; Y786-H794 PolarHBondContact OH-NE2 3.22Å; T788-H794 VanDerWaalsContact C-NE2 3.33Å; T788-H794 PolarHBondContact O-NE2 2.71Å; S790-H794 PolarHBondContact O-CD2 3Å; S790-H794 PolarHBondContact O-N 3.41Å; R791-H794 PolarHBondContact O-N 3.31Å; N792-H794 VanDerWaalsContact C-N 3.33Å; H794-L796 PolarHBondContact O-N 3.39Å; H794-L797 PolarHBondContact O-N 2.88Å; H794-L798 WeakPolarHBondContact O-CB 3.44Å; H794-L798 VanDerWaalsContact O-CG 3.3Å; H794-L798 WeakPolarHBondContact O-CG 3.38Å; H794-L798 PolarHBondContact O-N 3.05Å
795	S	96.3	Very high	95.5	Very high	36 Å²	36	41.8 Å²	41.8	25%	0.252	21%	0.21	S	C	.	.	H	α-helix	trans	-60.3	-46.7	178.4	-178.7	0	0	0	0	112.1	R791 N792 L797 L798 C799	R791-S795 PolarHBondContact O-N 3.37Å; N792-S795 PolarHBondContact O-N 3.22Å; S795-L797 PolarHBondContact O-N 2.73Å; S795-L798 PolarHBondContact O-N 2.9Å; S795-C799 PolarHBondContact O-N 2.76Å; S795-C799 PolarHBondContact O-SG 2.88Å
796	L	96.9	Very high	95.9	Very high	13 Å²	13	41.1 Å²	41.1	7%	0.068	20%	0.199	C	C	.	.	H	α-helix	trans	-60.2	-44.7	175.8	-76.7	176.1	0	0	0	112.4	I774 D777 L778 M781 N792 H794 C799 L800	I774-L796 HydrophobicContact CB-CD2 4.33Å; I774-L796 HydrophobicContact CD1-CD2 4.42Å; D777-L796 HydrophobicContact CB-CD1 4.1Å; D777-L796 HydrophobicContact CB-CD2 3.99Å; L778-L796 HydrophobicContact CD2-CB 3.82Å; L778-L796 HydrophobicContact CD2-CD2 4.01Å; L778-L796 HydrophobicContact CD2-CG 4.45Å; L778-L796 VanDerWaalsContact CD2-O 3.26Å; L778-L796 WeakPolarHBondContact CD2-O 3.19Å; M781-L796 HydrophobicContact CE-CB 4.22Å; M781-L796 HydrophobicContact SD-CB 3.77Å; M781-L796 HydrophobicContact SD-CD1 4.36Å; N792-L796 WeakPolarHBondContact O-CB 3.49Å; N792-L796 VanDerWaalsContact O-CG 3.31Å; N792-L796 WeakPolarHBondContact O-CG 3.44Å; N792-L796 PolarHBondContact O-N 3.42Å; H794-L796 PolarHBondContact O-N 3.39Å; L796-C799 PolarHBondContact O-N 2.86Å; L796-L800 PolarHBondContact O-N 2.86Å
797	L	97.3	Very high	96	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-42.7	177.1	176.9	60.5	0	0	0	111.6	L679 M781 Y786 H793 H794 S795 C799 L800 L801 F876	L679-L797 HydrophobicContact CD1-CD2 4.3Å; L679-L797 HydrophobicContact CD2-CD2 3.96Å; L679-L797 HydrophobicContact CD2-CG 4.48Å; L679-L797 HydrophobicContact CG-CD2 4.03Å; M781-L797 HydrophobicContact CE-CB 4.34Å; Y786-L797 HydrophobicContact CD2-CD2 4.25Å; Y786-L797 HydrophobicContact CE1-CD2 4.37Å; Y786-L797 HydrophobicContact CE2-CB 3.76Å; Y786-L797 HydrophobicContact CE2-CD2 3.53Å; Y786-L797 HydrophobicContact CE2-CG 4.23Å; H793-L797 WeakPolarHBondContact O-CB 3.17Å; H793-L797 PolarHBondContact O-N 3.45Å; H794-L797 PolarHBondContact O-N 2.88Å; S795-L797 PolarHBondContact O-N 2.73Å; L797-C799 VanDerWaalsContact C-N 3.33Å; L797-C799 PolarHBondContact O-N 3.43Å; L797-L800 PolarHBondContact O-N 2.86Å; L797-L801 HydrophobicContact CD1-CD1 4.08Å; L797-L801 HydrophobicContact CD1-CD2 4.48Å; L797-L801 HydrophobicContact CD1-CG 3.98Å; L797-L801 HydrophobicContact CG-CD1 3.87Å; L797-L801 HydrophobicContact CG-CG 4.26Å; L797-L801 WeakPolarHBondContact O-CB 3.48Å; L797-L801 VanDerWaalsContact O-CG 3.24Å; L797-L801 WeakPolarHBondContact O-CG 3.35Å; L797-L801 PolarHBondContact O-N 2.87Å; L797-F876 HydrophobicContact CD1-CE2 3.73Å; L797-F876 HydrophobicContact CD1-CZ 3.8Å; L797-F876 HydrophobicContact CD2-CZ 4.16Å
798	L	98.1	Very high	96.2	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-59.7	-43.2	175.3	-74.8	167.4	0	0	0	111.8	L679 E683 L687 L758 I762 H794 S795 L801 M802	L679-L798 HydrophobicContact CD1-CD2 3.84Å; L679-L798 HydrophobicContact CD1-CG 4.39Å; L679-L798 HydrophobicContact CD2-CG 4.28Å; E683-L798 HydrophobicContact CB-CD1 4.23Å; E683-L798 HydrophobicContact CB-CD2 4.33Å; E683-L798 HydrophobicContact CG-CD1 4.47Å; L687-L798 HydrophobicContact CB-CD2 4.01Å; L687-L798 HydrophobicContact CD1-CD2 4.49Å; L687-L798 HydrophobicContact CD2-CD2 4.28Å; L687-L798 HydrophobicContact CG-CD2 4.49Å; L758-L798 HydrophobicContact CD2-CD1 3.97Å; I762-L798 HydrophobicContact CD1-CD1 4.35Å; I762-L798 HydrophobicContact CD1-CD2 4.15Å; I762-L798 HydrophobicContact CG1-CB 4.26Å; H794-L798 WeakPolarHBondContact O-CB 3.44Å; H794-L798 VanDerWaalsContact O-CG 3.3Å; H794-L798 WeakPolarHBondContact O-CG 3.38Å; H794-L798 PolarHBondContact O-N 3.05Å; S795-L798 PolarHBondContact O-N 2.9Å; L798-L801 PolarHBondContact O-N 3.27Å; L798-M802 WeakPolarHBondContact O-CB 3.33Å; L798-M802 PolarHBondContact O-N 3.4Å
799	C	97.3	Very high	96.4	Very high	8 Å²	8	33.1 Å²	33.1	5%	0.054	16%	0.156	C	C	.	.	H	α-helix	trans	-61.4	-46.6	175.3	-63.9	0	0	0	0	111.3	A765 I774 S795 L796 L797 M802 T803	A765-C799 HydrophobicContact CB-CB 3.91Å; A765-C799 VanDerWaalsContact CB-SG 3.57Å; I774-C799 HydrophobicContact CD1-CB 3.6Å; S795-C799 PolarHBondContact O-N 2.76Å; S795-C799 PolarHBondContact O-SG 2.88Å; L796-C799 PolarHBondContact O-N 2.86Å; L797-C799 VanDerWaalsContact C-N 3.33Å; L797-C799 PolarHBondContact O-N 3.43Å; C799-M802 PolarHBondContact O-N 3.41Å; C799-T803 PolarHBondContact O-N 2.94Å; C799-T803 PolarHBondContact O-OG1 2.85Å
800	L	97.6	Very high	96.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.5	-43.6	178	176.1	63.4	0	0	0	112.1	L778 L796 L797 T803 S804 I868 L871 L872 L875	L778-L800 HydrophobicContact CD1-CB 4.24Å; L778-L800 HydrophobicContact CD1-CD1 4.23Å; L778-L800 HydrophobicContact CD2-CB 4.01Å; L796-L800 PolarHBondContact O-N 2.86Å; L797-L800 PolarHBondContact O-N 2.86Å; L800-T803 PolarHBondContact O-N 3.26Å; L800-S804 WeakPolarHBondContact O-CB 3.44Å; L800-S804 PolarHBondContact O-N 3.33Å; L800-S804 PolarHBondContact O-OG 3.32Å; L800-I868 HydrophobicContact CD1-CG2 3.94Å; L800-L871 HydrophobicContact CD2-CB 4.44Å; L800-L872 HydrophobicContact CD2-CD1 4.37Å; L800-L872 HydrophobicContact CG-CD1 4.46Å; L800-L875 HydrophobicContact CD2-CD1 3.59Å
801	L	98.3	Very high	96.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.6	-45.2	177.9	-71.6	168.9	0	0	0	110.5	L669 L675 L679 L687 L797 L798 S804 C805 L872	L669-L801 HydrophobicContact CD1-CD2 3.84Å; L675-L801 HydrophobicContact CD1-CD1 4.13Å; L675-L801 HydrophobicContact CD1-CD2 4.37Å; L675-L801 HydrophobicContact CD2-CD1 4.23Å; L675-L801 HydrophobicContact CD2-CD2 4.19Å; L679-L801 HydrophobicContact CD1-CD1 3.69Å; L687-L801 HydrophobicContact CD1-CB 4.46Å; L687-L801 HydrophobicContact CD2-CB 3.85Å; L687-L801 HydrophobicContact CD2-CD1 3.92Å; L797-L801 HydrophobicContact CD1-CD1 4.08Å; L797-L801 HydrophobicContact CD1-CD2 4.48Å; L797-L801 HydrophobicContact CD1-CG 3.98Å; L797-L801 HydrophobicContact CG-CD1 3.87Å; L797-L801 HydrophobicContact CG-CG 4.26Å; L797-L801 WeakPolarHBondContact O-CB 3.48Å; L797-L801 VanDerWaalsContact O-CG 3.24Å; L797-L801 WeakPolarHBondContact O-CG 3.35Å; L797-L801 PolarHBondContact O-N 2.87Å; L798-L801 PolarHBondContact O-N 3.27Å; L801-S804 WeakPolarHBondContact O-CB 3.41Å; L801-S804 PolarHBondContact O-N 3.43Å; L801-C805 PolarHBondContact O-N 2.97Å; L801-C805 PolarHBondContact O-SG 3.5Å; L801-L872 HydrophobicContact CD2-CD1 4.11Å
802	M	98.1	Very high	96.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61	-48.9	177.6	-173.6	64.2	-125.2	0	0	112.1	V662 L687 C691 H694 I762 T766 L798 C799 S804 C805 D806	V662-M802 HydrophobicContact CG1-CE 3.64Å; L687-M802 HydrophobicContact CD1-CB 3.96Å; L687-M802 HydrophobicContact CD1-SD 4.22Å; C691-M802 HydrophobicContact CB-CE 4.43Å; C691-M802 HydrophobicContact CB-SD 4.48Å; C691-M802 PolarHBondContact SG-SD 3.48Å; H694-M802 HydrophobicContact CB-CE 4.28Å; I762-M802 HydrophobicContact CG2-CB 3.88Å; I762-M802 HydrophobicContact CG2-CG 3.69Å; I762-M802 HydrophobicContact CG2-SD 3.73Å; T766-M802 HydrophobicContact CG2-CE 3.67Å; T766-M802 HydrophobicContact CG2-CG 3.55Å; T766-M802 HydrophobicContact CG2-SD 4.16Å; L798-M802 WeakPolarHBondContact O-CB 3.33Å; L798-M802 PolarHBondContact O-N 3.4Å; C799-M802 PolarHBondContact O-N 3.41Å; M802-S804 VanDerWaalsContact C-N 3.25Å; M802-S804 PolarHBondContact O-N 3.04Å; M802-C805 PolarHBondContact O-N 2.78Å; M802-C805 VanDerWaalsContact O-N 3.16Å; M802-D806 HydrophobicContact CE-CB 4.34Å; M802-D806 WeakPolarHBondContact O-CB 3.35Å; M802-D806 PolarHBondContact O-N 3.39Å
803	T	97.3	Very high	96.6	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.012	6%	0.061	C	C	.	.	H	α-helix	trans	-62.1	-35.6	176.1	-44	0	0	0	0	111.3	L768 H771 C799 L800 D806 L807 I868	L768-T803 HydrophobicContact CD1-CG2 4.42Å; H771-T803 HydrophobicContact CB-CG2 4.37Å; H771-T803 PolarHBondContact ND1-OG1 3.17Å; C799-T803 PolarHBondContact O-N 2.94Å; C799-T803 PolarHBondContact O-OG1 2.85Å; L800-T803 PolarHBondContact O-N 3.26Å; T803-D806 PolarHBondContact O-N 2.86Å; T803-L807 HydrophobicContact CG2-CD1 4.26Å; T803-L807 PolarHBondContact O-N 2.83Å; T803-L807 VanDerWaalsContact O-N 3.1Å; T803-I868 HydrophobicContact CG2-CD1 3.69Å
804	S	97.6	Very high	96.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66.6	-38.8	175.8	-57	0	0	0	0	112.1	L800 L801 M802 S808 I868 Y869	L800-S804 WeakPolarHBondContact O-CB 3.44Å; L800-S804 PolarHBondContact O-N 3.33Å; L800-S804 PolarHBondContact O-OG 3.32Å; L801-S804 WeakPolarHBondContact O-CB 3.41Å; L801-S804 PolarHBondContact O-N 3.43Å; M802-S804 VanDerWaalsContact C-N 3.25Å; M802-S804 PolarHBondContact O-N 3.04Å; S804-S808 PolarHBondContact O-N 2.93Å; S804-I868 VanDerWaalsContact OG-CG2 3.3Å; S804-I868 WeakPolarHBondContact OG-CG2 3.4Å; S804-Y869 PolarHBondContact O-OH 2.93Å
805	C	98.3	Very high	96.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.5	-45.7	174.4	-64.3	0	0	0	0	111.7	V662 F665 C666 L801 M802 L807 S808	V662-C805 HydrophobicContact CG1-CB 3.66Å; F665-C805 HydrophobicContact CD1-CB 4.33Å; C666-C805 VanDerWaalsContact CA-SG 3.55Å; L801-C805 PolarHBondContact O-N 2.97Å; L801-C805 PolarHBondContact O-SG 3.5Å; M802-C805 PolarHBondContact O-N 2.78Å; M802-C805 VanDerWaalsContact O-N 3.16Å; C805-L807 VanDerWaalsContact C-N 3.3Å; C805-L807 PolarHBondContact O-N 2.95Å; C805-S808 WeakPolarHBondContact O-CB 3.43Å; C805-S808 PolarHBondContact O-N 3.46Å; C805-S808 VanDerWaalsContact O-N 3.13Å; C805-S808 PolarHBondContact O-OG 3.06Å
806	D	97.9	Very high	95.8	Very high	23 Å²	23	12.8 Å²	12.8	12%	0.123	6%	0.063	C	C	.	.	H	α-helix	trans	-61.6	-39.2	-178.1	-172.7	25.1	0	0	0	111.9	H658 H694 M802 T803 S808	H658-D806 IonicContact CE1-OD1 2.76Å; H658-D806 PolarHBondContact CE1-OD1 2.91Å; H658-D806 VanDerWaalsContact CE1-OD1 3.24Å; H658-D806 IonicContact NE2-OD1 3.08Å; H658-D806 PolarHBondContact NE2-OD1 3Å; H658-D806 VanDerWaalsContact NE2-OD1 3.13Å; H694-D806 IonicContact NE2-OD1 3.2Å; H694-D806 PolarHBondContact NE2-OD1 3.41Å; M802-D806 HydrophobicContact CE-CB 4.34Å; M802-D806 WeakPolarHBondContact O-CB 3.35Å; M802-D806 PolarHBondContact O-N 3.39Å; T803-D806 PolarHBondContact O-N 2.86Å; D806-S808 VanDerWaalsContact C-N 3.34Å; D806-S808 PolarHBondContact O-N 3.26Å
807	L	96.9	Very high	95.5	Very high	24 Å²	24	12.2 Å²	12.2	13%	0.126	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	17.3	177.5	-55.5	-176	0	0	0	113.8	T803 C805 D809 Q810 F860 I864 I868 Y869	T803-L807 HydrophobicContact CG2-CD1 4.26Å; T803-L807 PolarHBondContact O-N 2.83Å; T803-L807 VanDerWaalsContact O-N 3.1Å; C805-L807 VanDerWaalsContact C-N 3.3Å; C805-L807 PolarHBondContact O-N 2.95Å; L807-D809 PolarHBondContact O-N 3.43Å; L807-Q810 WeakPolarHBondContact O-CB 3.24Å; L807-Q810 WeakPolarHBondContact O-CG 3.23Å; L807-Q810 PolarHBondContact O-N 3.2Å; L807-F860 HydrophobicContact CD1-CZ 4.08Å; L807-F860 HydrophobicContact CD2-CZ 3.94Å; L807-I864 HydrophobicContact CD1-CG2 3.91Å; L807-I868 HydrophobicContact CD1-CD1 3.75Å; L807-Y869 PolarHBondContact O-OH 2.87Å
808	S	96.9	Very high	95.2	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.007	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-63.7	-24.6	-172.1	61.8	0	0	0	0	114.6	F665 S804 C805 D806 Q810 T811 Y869	F665-S808 VanDerWaalsContact CD2-CB 3.41Å; S804-S808 PolarHBondContact O-N 2.93Å; C805-S808 WeakPolarHBondContact O-CB 3.43Å; C805-S808 PolarHBondContact O-N 3.46Å; C805-S808 VanDerWaalsContact O-N 3.13Å; C805-S808 PolarHBondContact O-OG 3.06Å; D806-S808 VanDerWaalsContact C-N 3.34Å; D806-S808 PolarHBondContact O-N 3.26Å; S808-Q810 PolarHBondContact O-N 3.22Å; S808-Q810 VanDerWaalsContact O-N 3.11Å; S808-T811 WeakPolarHBondContact O-CB 3.47Å; S808-T811 PolarHBondContact O-N 2.79Å; S808-T811 PolarHBondContact O-OG1 2.79Å; S808-Y869 WeakPolarHBondContact CA-OH 3.05Å; S808-Y869 PolarHBondContact N-OH 2.91Å
809	D	94.9	Very high	94.8	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.016	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-62.3	-19.5	178.1	-76.4	-28.9	0	0	0	113.3	R606 Y653 L807 T811 K812 T817 I820	R606-D809 IonicContact CZ-OD2 3.87Å; R606-D809 IonicContact NE-OD1 3.55Å; R606-D809 IonicContact NE-OD2 2.72Å; R606-D809 PolarHBondContact NE-OD2 3.37Å; R606-D809 IonicContact NH2-OD2 3.54Å; R606-D809 PolarHBondContact NH2-OD2 2.6Å; Y653-D809 PolarHBondContact OH-OD2 3.25Å; L807-D809 PolarHBondContact O-N 3.43Å; D809-T811 PolarHBondContact O-N 2.89Å; D809-K812 PolarHBondContact O-N 3.5Å; D809-T817 PolarHBondContact O-OG1 3.11Å; D809-I820 HydrophobicContact CB-CB 4.47Å; D809-I820 HydrophobicContact CB-CD1 3.63Å; D809-I820 HydrophobicContact CB-CG2 3.83Å; D809-I820 WeakPolarHBondContact OD1-CD1 3.47Å
810	Q	95.1	Very high	94.5	Very high	7 Å²	7	15.3 Å²	15.3	3%	0.033	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-70.9	-20.2	173	-57.9	-56	-45.3	0	0	113.2	L807 S808 F860 A865 V886 N889	L807-Q810 WeakPolarHBondContact O-CB 3.24Å; L807-Q810 WeakPolarHBondContact O-CG 3.23Å; L807-Q810 PolarHBondContact O-N 3.2Å; S808-Q810 PolarHBondContact O-N 3.22Å; S808-Q810 VanDerWaalsContact O-N 3.11Å; Q810-F860 HydrophobicContact CG-CE1 4.26Å; Q810-A865 HydrophobicContact CB-CB 4.49Å; Q810-A865 HydrophobicContact CG-CB 4.24Å; Q810-V886 HydrophobicContact CB-CG2 4.19Å; Q810-V886 WeakPolarHBondContact O-CG2 3.49Å; Q810-N889 PolarHBondContact O-ND2 2.86Å
811	T	96	Very high	94.3	Very high	5 Å²	5	15.3 Å²	15.3	3%	0.031	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-90.3	-2.4	-179.8	71.9	0	0	0	0	113.2	F665 S808 D809 Y869 L882 R885 V886	F665-T811 WeakPolarHBondContact CE2-OG1 3.29Å; F665-T811 HydrophobicContact CZ-CG2 4.23Å; S808-T811 WeakPolarHBondContact O-CB 3.47Å; S808-T811 PolarHBondContact O-N 2.79Å; S808-T811 PolarHBondContact O-OG1 2.79Å; D809-T811 PolarHBondContact O-N 2.89Å; T811-Y869 HydrophobicContact CG2-CD1 4Å; T811-Y869 HydrophobicContact CG2-CD2 4.37Å; T811-Y869 HydrophobicContact CG2-CE1 3.41Å; T811-Y869 VanDerWaalsContact CG2-CE1 3.41Å; T811-Y869 HydrophobicContact CG2-CE2 3.83Å; T811-Y869 HydrophobicContact CG2-CG 4.44Å; T811-Y869 WeakPolarHBondContact CG2-OH 3.43Å; T811-L882 HydrophobicContact CG2-CB 4.1Å; T811-L882 HydrophobicContact CG2-CD2 4.08Å; T811-R885 VanDerWaalsContact O-CG 3.24Å; T811-R885 WeakPolarHBondContact O-CG 3.35Å; T811-V886 HydrophobicContact CG2-CG2 3.83Å
812	K	94.6	Very high	93.9	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.017	8%	0.078	C	C	.	.	S	Bend	trans	-83.4	174.1	-179.7	-55.9	-49.5	178.5	-157.4	0	111.2	F601 Y603 D809 T816 T817 N889	F601-K812 PolarHBondContact O-NZ 2.72Å; Y603-K812 WeakPolarHBondContact O-CE 3.43Å; Y603-K812 PolarHBondContact O-NZ 3.4Å; D809-K812 PolarHBondContact O-N 3.5Å; K812-T816 HydrophobicContact CB-CG2 3.66Å; K812-T816 HydrophobicContact CG-CG2 4.11Å; K812-T817 PolarHBondContact O-OG1 2.97Å; K812-N889 PolarHBondContact O-ND2 3.32Å
813	D	91.6	Very high	93.7	Very high	55 Å²	55	18.7 Å²	18.7	29%	0.294	9%	0.088	S	C	.	.			trans	-65.6	159.4	177.1	71.8	-67	0	0	0	111.4	K815 T816 T817	D813-K815 VanDerWaalsContact C-N 3.27Å; D813-K815 PolarHBondContact O-N 3.24Å; D813-K815 WeakPolarHBondContact OD2-CB 3.4Å; D813-K815 PolarHBondContact OD2-N 3.45Å; D813-T816 WeakPolarHBondContact O-CB 3.21Å; D813-T816 PolarHBondContact O-N 3.15Å; D813-T816 WeakPolarHBondContact OD1-CB 3.21Å; D813-T816 PolarHBondContact OD1-OG1 3.22Å; D813-T817 PolarHBondContact O-N 3.46Å; D813-T817 PolarHBondContact O-OG1 2.92Å
814	W	91.3	Very high	93.5	Very high	38 Å²	38	19.6 Å²	19.6	14%	0.144	9%	0.093	C	C	.	.	H	α-helix	trans	-53.7	-39.8	-174.9	172	-111.1	0	0	0	113.9	T816 R818 Q892 W893 V896	W814-T816 VanDerWaalsContact C-N 3.32Å; W814-T816 PolarHBondContact O-N 3.45Å; W814-R818 HydrophobicContact CZ2-CB 4.48Å; W814-R818 HydrophobicContact CZ2-CG 4.45Å; W814-R818 VanDerWaalsContact O-CB 3.25Å; W814-R818 WeakPolarHBondContact O-CB 3.45Å; W814-R818 PolarHBondContact O-N 3.41Å; W814-Q892 HydrophobicContact CD2-CB 3.63Å; W814-Q892 HydrophobicContact CD2-CG 4.04Å; W814-Q892 HydrophobicContact CE3-CB 3.31Å; W814-Q892 HydrophobicContact CE3-CG 4Å; W814-Q892 HydrophobicContact CG-CB 4.37Å; W814-Q892 HydrophobicContact CG-CG 4.28Å; W814-Q892 HydrophobicContact CH2-CB 3.88Å; W814-Q892 HydrophobicContact CZ2-CB 4.17Å; W814-Q892 HydrophobicContact CZ3-CB 3.44Å; W814-Q892 VanDerWaalsContact CZ3-CB 3.44Å; W814-W893 AromaticContact CH2-CD2 3.63Å; W814-W893 HydrophobicContact CH2-CD2 3.63Å; W814-W893 AromaticContact CH2-CE2 3.81Å; W814-W893 AromaticContact CH2-CE3 3.87Å; W814-W893 HydrophobicContact CH2-CE3 3.87Å; W814-W893 AromaticContact CH2-CG 4Å; W814-W893 HydrophobicContact CH2-CG 4Å; W814-W893 HydrophobicContact CH2-CH2 4.42Å; W814-W893 HydrophobicContact CH2-CZ2 4.21Å; W814-W893 HydrophobicContact CH2-CZ3 4.26Å; W814-W893 AromaticContact CZ3-CD1 3.68Å; W814-W893 AromaticContact CZ3-CD2 3.73Å; W814-W893 HydrophobicContact CZ3-CD2 3.73Å; W814-W893 AromaticContact CZ3-CE2 3.63Å; W814-W893 HydrophobicContact CZ3-CE3 4.43Å; W814-W893 AromaticContact CZ3-CG 3.75Å; W814-W893 HydrophobicContact CZ3-CG 3.75Å; W814-W893 HydrophobicContact CZ3-CZ2 4.26Å; W814-W893 AromaticContact CZ3-NE1 3.62Å; W814-V896 HydrophobicContact CH2-CG2 3.81Å; W814-V896 HydrophobicContact CZ2-CG2 3.62Å
815	K	89.6	Confident	93.2	Very high	73 Å²	73	20 Å²	20	32%	0.317	10%	0.095	S	C	.	.	H	α-helix	trans	-62.4	-45	-179.4	-175.6	-174.1	176.4	-174	0	110.1	D813 K819 Y918	D813-K815 VanDerWaalsContact C-N 3.27Å; D813-K815 PolarHBondContact O-N 3.24Å; D813-K815 WeakPolarHBondContact OD2-CB 3.4Å; D813-K815 PolarHBondContact OD2-N 3.45Å; K815-K819 PolarHBondContact O-N 2.91Å; K815-Y918 WeakPolarHBondContact CE-OH 3.17Å
816	T	89.7	Confident	93	Very high	9 Å²	9	25.6 Å²	25.6	6%	0.055	12%	0.119	C	C	.	.	H	α-helix	trans	-66.7	-55.6	178.5	-59.2	0	0	0	0	111.5	T604 K812 D813 W814 R818 K819 I820	T604-T816 HydrophobicContact CG2-CG2 3.69Å; K812-T816 HydrophobicContact CB-CG2 3.66Å; K812-T816 HydrophobicContact CG-CG2 4.11Å; D813-T816 WeakPolarHBondContact O-CB 3.21Å; D813-T816 PolarHBondContact O-N 3.15Å; D813-T816 WeakPolarHBondContact OD1-CB 3.21Å; D813-T816 PolarHBondContact OD1-OG1 3.22Å; W814-T816 VanDerWaalsContact C-N 3.32Å; W814-T816 PolarHBondContact O-N 3.45Å; T816-R818 VanDerWaalsContact C-N 3.25Å; T816-R818 PolarHBondContact O-N 3.4Å; T816-K819 PolarHBondContact O-N 3.43Å; T816-K819 VanDerWaalsContact O-N 3.1Å; T816-I820 HydrophobicContact CG2-CD1 3.57Å; T816-I820 HydrophobicContact CG2-CG1 4.48Å; T816-I820 VanDerWaalsContact O-CG1 3.32Å; T816-I820 WeakPolarHBondContact O-CG1 3.43Å; T816-I820 PolarHBondContact O-N 3.34Å
817	T	91.3	Very high	92.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-57.3	-38.6	-178.1	-62.5	0	0	0	0	112	D809 K812 D813 I820 A821 N889	D809-T817 PolarHBondContact O-OG1 3.11Å; K812-T817 PolarHBondContact O-OG1 2.97Å; D813-T817 PolarHBondContact O-N 3.46Å; D813-T817 PolarHBondContact O-OG1 2.92Å; T817-I820 PolarHBondContact O-N 3.15Å; T817-A821 PolarHBondContact O-N 3.11Å; T817-N889 PolarHBondContact OG1-ND2 2.86Å
818	R	90.6	Very high	92.6	Very high	20 Å²	20	26 Å²	26	8%	0.075	12%	0.119	C	C	.	.	H	α-helix	trans	-65.8	-45.8	176.7	-173.1	-161.1	65.5	-175.9	-0.8	112.4	W814 T816 I820 A821 E822 W893 Y918	W814-R818 HydrophobicContact CZ2-CB 4.48Å; W814-R818 HydrophobicContact CZ2-CG 4.45Å; W814-R818 VanDerWaalsContact O-CB 3.25Å; W814-R818 WeakPolarHBondContact O-CB 3.45Å; W814-R818 PolarHBondContact O-N 3.41Å; T816-R818 VanDerWaalsContact C-N 3.25Å; T816-R818 PolarHBondContact O-N 3.4Å; R818-I820 PolarHBondContact O-N 3.32Å; R818-A821 PolarHBondContact O-N 2.88Å; R818-E822 PolarHBondContact O-N 3.25Å; R818-E822 VanDerWaalsContact O-N 3.11Å; R818-W893 HydrophobicContact CG-CH2 4.25Å; R818-Y918 VanDerWaalsContact NH1-CG 3.34Å; R818-Y918 VanDerWaalsContact NH2-CE2 3.25Å
819	K	89.4	Confident	92.5	Very high	53 Å²	53	26 Å²	26	23%	0.23	12%	0.119	C	C	.	.	H	α-helix	trans	-62.8	-33.9	178.1	-172.8	53.2	172	179.8	0	111.3	K815 T816 E822 L823 L934	K815-K819 PolarHBondContact O-N 2.91Å; T816-K819 PolarHBondContact O-N 3.43Å; T816-K819 VanDerWaalsContact O-N 3.1Å; K819-E822 WeakPolarHBondContact CD-OE2 3.39Å; K819-E822 WeakPolarHBondContact CE-OE2 3.43Å; K819-E822 IonicContact NZ-OE1 2.81Å; K819-E822 PolarHBondContact NZ-OE1 3.3Å; K819-E822 IonicContact NZ-OE2 2.8Å; K819-E822 PolarHBondContact NZ-OE2 3.48Å; K819-E822 VanDerWaalsContact O-CB 3.31Å; K819-E822 WeakPolarHBondContact O-CB 3.5Å; K819-E822 PolarHBondContact O-N 2.65Å; K819-L823 PolarHBondContact O-N 2.81Å; K819-L934 HydrophobicContact CG-CD1 4.27Å
820	I	92.5	Very high	92.3	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-71.3	-41.6	177.7	-67.7	170.5	0	0	0	111.3	Y653 D809 T816 T817 R818 E822 L823 I824	Y653-I820 HydrophobicContact CD2-CG2 4.06Å; Y653-I820 HydrophobicContact CE2-CG2 3.48Å; Y653-I820 VanDerWaalsContact CE2-CG2 3.48Å; D809-I820 HydrophobicContact CB-CB 4.47Å; D809-I820 HydrophobicContact CB-CD1 3.63Å; D809-I820 HydrophobicContact CB-CG2 3.83Å; D809-I820 WeakPolarHBondContact OD1-CD1 3.47Å; T816-I820 HydrophobicContact CG2-CD1 3.57Å; T816-I820 HydrophobicContact CG2-CG1 4.48Å; T816-I820 VanDerWaalsContact O-CG1 3.32Å; T816-I820 WeakPolarHBondContact O-CG1 3.43Å; T816-I820 PolarHBondContact O-N 3.34Å; T817-I820 PolarHBondContact O-N 3.15Å; R818-I820 PolarHBondContact O-N 3.32Å; I820-E822 PolarHBondContact O-N 2.96Å; I820-L823 PolarHBondContact O-N 2.64Å; I820-L823 VanDerWaalsContact O-N 3.1Å; I820-I824 HydrophobicContact CG2-CD1 3.96Å; I820-I824 HydrophobicContact CG2-CG1 4.43Å; I820-I824 WeakPolarHBondContact O-CG1 3.29Å; I820-I824 PolarHBondContact O-N 2.79Å
821	A	92	Very high	92.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-56.4	-40.9	172.4	0	0	0	0	0	111.6	T817 R818 L823 I824 Y825 Q857 W893	T817-A821 PolarHBondContact O-N 3.11Å; R818-A821 PolarHBondContact O-N 2.88Å; A821-L823 PolarHBondContact O-N 3.18Å; A821-I824 PolarHBondContact O-N 2.67Å; A821-Y825 WeakPolarHBondContact O-CD2 3.34Å; A821-Y825 PolarHBondContact O-N 3.49Å; A821-Q857 HydrophobicContact CB-CG 4.47Å; A821-W893 HydrophobicContact CB-CH2 4.02Å; A821-W893 HydrophobicContact CB-CZ2 3.72Å
822	E	90.2	Very high	92	Very high	30 Å²	30	28.1 Å²	28.1	14%	0.14	13%	0.134	C	C	.	.	H	α-helix	trans	-56.8	-46.1	174.7	-165.9	-160.8	126.5	0	0	112.1	R818 K819 I820 Y825 K826 L911	R818-E822 PolarHBondContact O-N 3.25Å; R818-E822 VanDerWaalsContact O-N 3.11Å; K819-E822 WeakPolarHBondContact CD-OE2 3.39Å; K819-E822 WeakPolarHBondContact CE-OE2 3.43Å; K819-E822 IonicContact NZ-OE1 2.81Å; K819-E822 PolarHBondContact NZ-OE1 3.3Å; K819-E822 IonicContact NZ-OE2 2.8Å; K819-E822 PolarHBondContact NZ-OE2 3.48Å; K819-E822 VanDerWaalsContact O-CB 3.31Å; K819-E822 WeakPolarHBondContact O-CB 3.5Å; K819-E822 PolarHBondContact O-N 2.65Å; I820-E822 PolarHBondContact O-N 2.96Å; E822-Y825 PolarHBondContact O-N 3.07Å; E822-K826 WeakPolarHBondContact O-CB 3.42Å; E822-K826 PolarHBondContact O-N 2.78Å; E822-L911 HydrophobicContact CB-CD2 4.31Å; E822-L911 HydrophobicContact CG-CD2 3.78Å
823	L	93.4	Very high	91.9	Very high	41 Å²	41	30.6 Å²	30.6	22%	0.215	15%	0.147	C	C	.	.	H	α-helix	trans	-63.5	-44	177.4	-63.3	176	0	0	0	112.1	Y653 K819 I820 A821 K826 E827	Y653-L823 HydrophobicContact CD2-CB 4.44Å; K819-L823 PolarHBondContact O-N 2.81Å; I820-L823 PolarHBondContact O-N 2.64Å; I820-L823 VanDerWaalsContact O-N 3.1Å; A821-L823 PolarHBondContact O-N 3.18Å; L823-K826 PolarHBondContact O-N 2.92Å; L823-E827 PolarHBondContact O-N 2.94Å; L823-E827 VanDerWaalsContact O-N 3.08Å
824	I	93.3	Very high	91.8	Very high	22 Å²	22	32.4 Å²	32.4	11%	0.113	16%	0.157	C	C	.	.	H	α-helix	trans	-59.6	-49.8	177.7	-65.9	166.9	0	0	0	110.2	Y653 I820 A821 K826 E827 F828	Y653-I824 HydrophobicContact CD1-CG1 3.87Å; Y653-I824 HydrophobicContact CD2-CD1 4.22Å; Y653-I824 HydrophobicContact CD2-CG1 3.5Å; Y653-I824 HydrophobicContact CE1-CD1 4.4Å; Y653-I824 HydrophobicContact CE1-CG1 4.1Å; Y653-I824 HydrophobicContact CE2-CD1 3.94Å; Y653-I824 HydrophobicContact CE2-CG1 3.75Å; Y653-I824 HydrophobicContact CG-CG1 3.55Å; I820-I824 HydrophobicContact CG2-CD1 3.96Å; I820-I824 HydrophobicContact CG2-CG1 4.43Å; I820-I824 WeakPolarHBondContact O-CG1 3.29Å; I820-I824 PolarHBondContact O-N 2.79Å; A821-I824 PolarHBondContact O-N 2.67Å; I824-K826 PolarHBondContact O-N 3.08Å; I824-E827 WeakPolarHBondContact O-CB 3.41Å; I824-E827 PolarHBondContact O-N 3.44Å; I824-F828 HydrophobicContact CG2-CD1 4.44Å; I824-F828 HydrophobicContact CG2-CD2 4.3Å; I824-F828 HydrophobicContact CG2-CE1 4.15Å; I824-F828 HydrophobicContact CG2-CE2 3.99Å; I824-F828 HydrophobicContact CG2-CZ 3.91Å; I824-F828 WeakPolarHBondContact O-CG 3.43Å; I824-F828 PolarHBondContact O-N 2.87Å
825	Y	92.8	Very high	91.8	Very high	8 Å²	8	31.9 Å²	31.9	3%	0.031	16%	0.156	C	C	.	.	H	α-helix	trans	-69.5	-33.1	-179.5	-76.6	-69.8	0	0	0	112.8	A821 E822 E827 F828 F829 I853 L856 Q857	A821-Y825 WeakPolarHBondContact O-CD2 3.34Å; A821-Y825 PolarHBondContact O-N 3.49Å; E822-Y825 PolarHBondContact O-N 3.07Å; Y825-E827 VanDerWaalsContact C-N 3.27Å; Y825-E827 PolarHBondContact O-N 3.08Å; Y825-F828 HydrophobicContact CD1-CD2 4.24Å; Y825-F828 HydrophobicContact CE1-CD2 4.4Å; Y825-F828 PolarHBondContact O-N 3.01Å; Y825-F829 HydrophobicContact CD1-CE1 4.19Å; Y825-F829 HydrophobicContact CD1-CZ 4.18Å; Y825-F829 HydrophobicContact CG-CZ 4.47Å; Y825-F829 WeakPolarHBondContact O-CB 3.25Å; Y825-F829 WeakPolarHBondContact O-CD1 3.49Å; Y825-F829 VanDerWaalsContact O-CD2 3.31Å; Y825-F829 WeakPolarHBondContact O-CD2 3.4Å; Y825-F829 WeakPolarHBondContact O-CG 3.32Å; Y825-F829 PolarHBondContact O-N 3.07Å; Y825-I853 HydrophobicContact CD1-CG1 4.07Å; Y825-I853 HydrophobicContact CD2-CB 4.38Å; Y825-I853 HydrophobicContact CD2-CD1 3.98Å; Y825-I853 HydrophobicContact CD2-CG1 3.87Å; Y825-I853 HydrophobicContact CD2-CG2 3.74Å; Y825-I853 HydrophobicContact CE1-CG1 4.19Å; Y825-I853 HydrophobicContact CE2-CB 4.15Å; Y825-I853 HydrophobicContact CE2-CG1 4.02Å; Y825-I853 HydrophobicContact CE2-CG2 3.43Å; Y825-I853 VanDerWaalsContact CE2-CG2 3.43Å; Y825-I853 HydrophobicContact CG-CD1 3.96Å; Y825-I853 HydrophobicContact CG-CG1 3.92Å; Y825-L856 HydrophobicContact CE1-CD1 4.09Å; Y825-L856 WeakPolarHBondContact OH-CB 3.4Å; Y825-Q857 HydrophobicContact CE2-CG 3.74Å; Y825-Q857 PolarHBondContact OH-NE2 2.85Å
826	K	92.3	Very high	91.8	Very high	117 Å²	117	31.5 Å²	31.5	51%	0.509	15%	0.154	S	C	.	.	H	α-helix	trans	-58.1	-43.8	172.1	-174.6	175.5	-179.5	178.7	0	110.9	P652 E822 L823 I824 S830	P652-K826 HydrophobicContact CB-CB 4.27Å; P652-K826 HydrophobicContact CB-CD 4.27Å; P652-K826 HydrophobicContact CB-CG 4.28Å; P652-K826 HydrophobicContact CG-CB 4.46Å; P652-K826 HydrophobicContact CG-CD 4.3Å; P652-K826 HydrophobicContact CG-CG 4.08Å; E822-K826 WeakPolarHBondContact O-CB 3.42Å; E822-K826 PolarHBondContact O-N 2.78Å; L823-K826 PolarHBondContact O-N 2.92Å; I824-K826 PolarHBondContact O-N 3.08Å; K826-S830 PolarHBondContact O-N 3.43Å; K826-S830 PolarHBondContact O-OG 3.35Å
827	E	94.1	Very high	91.8	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.028	19%	0.186	C	C	.	.	H	α-helix	trans	-66.2	-46.3	176	-168.3	173.3	131.2	0	0	112.5	P651 P652 Y653 H654 H698 G700 L823 I824 Y825 F829 S830 Q831	P651-E827 WeakPolarHBondContact CB-OE2 3.34Å; P652-E827 HydrophobicContact CB-CB 4.12Å; P652-E827 HydrophobicContact CG-CB 4.04Å; Y653-E827 WeakPolarHBondContact CA-OE2 3.46Å; Y653-E827 PolarHBondContact N-OE2 3.1Å; H654-E827 IonicContact CE1-OE1 3.91Å; H654-E827 PolarHBondContact CE1-OE1 2.93Å; H654-E827 IonicContact CG-OE1 3.17Å; H654-E827 PolarHBondContact N-OE2 2.9Å; H654-E827 VanDerWaalsContact N-OE2 3.11Å; H654-E827 IonicContact ND1-OE1 3.24Å; H654-E827 PolarHBondContact ND1-OE1 2.93Å; H654-E827 IonicContact ND1-OE2 3.13Å; H654-E827 PolarHBondContact ND1-OE2 3.43Å; H698-E827 IonicContact CE1-OE1 3.03Å; H698-E827 IonicContact ND1-OE1 3.47Å; G700-E827 VanDerWaalsContact CA-OE1 3.27Å; G700-E827 WeakPolarHBondContact CA-OE1 3.44Å; L823-E827 PolarHBondContact O-N 2.94Å; L823-E827 VanDerWaalsContact O-N 3.08Å; I824-E827 WeakPolarHBondContact O-CB 3.41Å; I824-E827 PolarHBondContact O-N 3.44Å; Y825-E827 VanDerWaalsContact C-N 3.27Å; Y825-E827 PolarHBondContact O-N 3.08Å; E827-F829 VanDerWaalsContact C-N 3.29Å; E827-F829 PolarHBondContact O-N 3.5Å; E827-S830 WeakPolarHBondContact O-CB 3.38Å; E827-S830 PolarHBondContact O-N 3.45Å; E827-S830 VanDerWaalsContact O-N 3.14Å; E827-Q831 PolarHBondContact O-N 3.45Å
828	F	93.5	Very high	91.5	Very high	51 Å²	51	40 Å²	40	22%	0.224	21%	0.209	C	C	.	.	H	α-helix	trans	-57.6	-41.5	176.3	-79.6	7.9	0	0	0	112.4	I824 Y825 Q831 G832 M845 M846	I824-F828 HydrophobicContact CG2-CD1 4.44Å; I824-F828 HydrophobicContact CG2-CD2 4.3Å; I824-F828 HydrophobicContact CG2-CE1 4.15Å; I824-F828 HydrophobicContact CG2-CE2 3.99Å; I824-F828 HydrophobicContact CG2-CZ 3.91Å; I824-F828 WeakPolarHBondContact O-CG 3.43Å; I824-F828 PolarHBondContact O-N 2.87Å; Y825-F828 HydrophobicContact CD1-CD2 4.24Å; Y825-F828 HydrophobicContact CE1-CD2 4.4Å; Y825-F828 PolarHBondContact O-N 3.01Å; F828-Q831 PolarHBondContact O-N 3.22Å; F828-G832 PolarHBondContact O-N 2.91Å; F828-M845 HydrophobicContact CE2-SD 4.43Å; F828-M846 WeakPolarHBondContact CA-SD 3.35Å; F828-M846 HydrophobicContact CB-CE 4.13Å; F828-M846 HydrophobicContact CB-SD 3.27Å; F828-M846 WeakPolarHBondContact CB-SD 3.33Å; F828-M846 HydrophobicContact CD1-CE 3.54Å; F828-M846 HydrophobicContact CD1-SD 3.74Å; F828-M846 HydrophobicContact CD2-CE 3.64Å; F828-M846 HydrophobicContact CD2-SD 3.88Å; F828-M846 HydrophobicContact CE1-CE 3.73Å; F828-M846 HydrophobicContact CE2-CE 3.83Å; F828-M846 HydrophobicContact CG-CE 3.49Å; F828-M846 VanDerWaalsContact CG-CE 3.49Å; F828-M846 HydrophobicContact CG-SD 3.36Å; F828-M846 WeakPolarHBondContact CG-SD 3.11Å; F828-M846 HydrophobicContact CZ-CE 3.87Å; F828-M846 VanDerWaalsContact O-SD 3.37Å
829	F	93.7	Very high	91.2	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-69.7	-36.9	177.3	-63.5	-15.8	0	0	0	112.3	Y825 E827 Q831 G832 D833 M845 R848 A851 I853 L911	Y825-F829 HydrophobicContact CD1-CE1 4.19Å; Y825-F829 HydrophobicContact CD1-CZ 4.18Å; Y825-F829 HydrophobicContact CG-CZ 4.47Å; Y825-F829 WeakPolarHBondContact O-CB 3.25Å; Y825-F829 WeakPolarHBondContact O-CD1 3.49Å; Y825-F829 VanDerWaalsContact O-CD2 3.31Å; Y825-F829 WeakPolarHBondContact O-CD2 3.4Å; Y825-F829 WeakPolarHBondContact O-CG 3.32Å; Y825-F829 PolarHBondContact O-N 3.07Å; E827-F829 VanDerWaalsContact C-N 3.29Å; E827-F829 PolarHBondContact O-N 3.5Å; F829-Q831 VanDerWaalsContact C-N 3.33Å; F829-Q831 PolarHBondContact O-N 2.9Å; F829-G832 PolarHBondContact O-N 2.96Å; F829-D833 PolarHBondContact O-N 3.2Å; F829-M845 WeakPolarHBondContact CE1-O 3.35Å; F829-R848 HydrophobicContact CB-CB 3.99Å; F829-R848 HydrophobicContact CD1-CB 4.01Å; F829-R848 HydrophobicContact CD2-CB 3.57Å; F829-R848 HydrophobicContact CE1-CB 4.41Å; F829-R848 HydrophobicContact CE2-CB 3.98Å; F829-R848 HydrophobicContact CG-CB 3.58Å; F829-R848 HydrophobicContact CZ-CB 4.4Å; F829-A851 HydrophobicContact CE1-CB 3.45Å; F829-A851 VanDerWaalsContact CE1-CB 3.45Å; F829-A851 HydrophobicContact CZ-CB 3.53Å; F829-I853 HydrophobicContact CE2-CD1 4.45Å; F829-I853 HydrophobicContact CZ-CD1 4.27Å; F829-I853 HydrophobicContact CZ-CG1 4.49Å; F829-L911 HydrophobicContact CD2-CD1 3.6Å; F829-L911 HydrophobicContact CE2-CD1 3.44Å; F829-L911 VanDerWaalsContact CE2-CD1 3.44Å; F829-L911 HydrophobicContact CE2-CG 3.87Å
830	S	92.2	Very high	91.1	Very high	53 Å²	53	43.3 Å²	43.3	37%	0.371	25%	0.247	S	C	.	.	H	α-helix	trans	-59.8	-42.9	171.3	-70.3	0	0	0	0	111.9	K826 E827 L834	K826-S830 PolarHBondContact O-N 3.43Å; K826-S830 PolarHBondContact O-OG 3.35Å; E827-S830 WeakPolarHBondContact O-CB 3.38Å; E827-S830 PolarHBondContact O-N 3.45Å; E827-S830 VanDerWaalsContact O-N 3.14Å; S830-L834 WeakPolarHBondContact O-CG 3.3Å; S830-L834 PolarHBondContact O-N 3.24Å
831	Q	92.3	Very high	90.7	Very high	5 Å²	5	54.7 Å²	54.7	2%	0.023	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-46.7	172.6	178.8	-178.1	-39.7	0	0	111.5	T701 N702 F705 E827 F828 F829 D833 L834 E835	T701-Q831 VanDerWaalsContact CA-OE1 3.26Å; T701-Q831 HydrophobicContact CG2-CB 4.46Å; T701-Q831 HydrophobicContact CG2-CG 4.15Å; N702-Q831 PolarHBondContact ND2-NE2 3Å; N702-Q831 VanDerWaalsContact ND2-NE2 3.18Å; N702-Q831 PolarHBondContact OD1-NE2 3.48Å; F705-Q831 HydrophobicContact CD2-CG 4.12Å; F705-Q831 HydrophobicContact CG-CG 4.44Å; E827-Q831 PolarHBondContact O-N 3.45Å; F828-Q831 PolarHBondContact O-N 3.22Å; F829-Q831 VanDerWaalsContact C-N 3.33Å; F829-Q831 PolarHBondContact O-N 2.9Å; Q831-D833 VanDerWaalsContact C-N 3.28Å; Q831-D833 PolarHBondContact O-N 2.89Å; Q831-L834 WeakPolarHBondContact O-CB 3.32Å; Q831-L834 PolarHBondContact O-N 2.86Å; Q831-L834 VanDerWaalsContact O-N 3.11Å; Q831-E835 PolarHBondContact NE2-OE1 2.9Å; Q831-E835 PolarHBondContact O-N 2.98Å
832	G	92.5	Very high	90.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61	-35.4	-179.1	0	0	0	0	0	113.4	F828 F829 E835 K836 M846	F828-G832 PolarHBondContact O-N 2.91Å; F829-G832 PolarHBondContact O-N 2.96Å; G832-E835 PolarHBondContact O-N 2.88Å; G832-K836 WeakPolarHBondContact O-CG 3.47Å; G832-K836 PolarHBondContact O-N 3.22Å; G832-M846 WeakPolarHBondContact CA-O 3.4Å
833	D	91.8	Very high	90.5	Very high	56 Å²	56	56.7 Å²	56.7	30%	0.299	31%	0.307	S	S	.	.	H	α-helix	trans	-68.6	-37.5	174.7	-64.7	-25.5	0	0	0	112.2	F829 Q831 K836 A837 R848	F829-D833 PolarHBondContact O-N 3.2Å; Q831-D833 VanDerWaalsContact C-N 3.28Å; Q831-D833 PolarHBondContact O-N 2.89Å; D833-K836 PolarHBondContact O-N 2.94Å; D833-A837 WeakPolarHBondContact O-CB 3.23Å; D833-A837 PolarHBondContact O-N 3.46Å; D833-R848 IonicContact OD1-NE 2.83Å; D833-R848 PolarHBondContact OD1-NE 2.75Å; D833-R848 IonicContact OD2-CZ 3.15Å; D833-R848 IonicContact OD2-NE 2.74Å; D833-R848 PolarHBondContact OD2-NE 3.43Å; D833-R848 IonicContact OD2-NH2 2.9Å; D833-R848 PolarHBondContact OD2-NH2 3.32Å
834	L	89.6	Confident	90.2	Very high	94 Å²	94	60.5 Å²	60.5	49%	0.492	32%	0.323	S	S	.	.	H	α-helix	trans	-62.8	-44	172.1	-69.6	169.2	0	0	0	111	F705 S830 Q831 K836 A837 M838	F705-L834 HydrophobicContact CE2-CB 4.44Å; S830-L834 WeakPolarHBondContact O-CG 3.3Å; S830-L834 PolarHBondContact O-N 3.24Å; Q831-L834 WeakPolarHBondContact O-CB 3.32Å; Q831-L834 PolarHBondContact O-N 2.86Å; Q831-L834 VanDerWaalsContact O-N 3.11Å; L834-K836 VanDerWaalsContact C-N 3.34Å; L834-K836 PolarHBondContact O-N 3.2Å; L834-A837 PolarHBondContact O-N 3.06Å; L834-M838 VanDerWaalsContact O-CG 3.3Å; L834-M838 WeakPolarHBondContact O-CG 3.37Å; L834-M838 PolarHBondContact O-N 3.06Å
835	E	90.4	Very high	89.9	Confident	27 Å²	27	63.5 Å²	63.5	13%	0.126	34%	0.338	C	S	.	.	H	α-helix	trans	-59.4	-44.6	175.1	-71.4	178.9	-169.3	0	0	111.5	F705 Q831 G832 A837 M838 G839 N840 P842	F705-E835 HydrophobicContact CD2-CG 3.56Å; F705-E835 HydrophobicContact CE2-CG 3.72Å; Q831-E835 PolarHBondContact NE2-OE1 2.9Å; Q831-E835 PolarHBondContact O-N 2.98Å; G832-E835 PolarHBondContact O-N 2.88Å; E835-A837 PolarHBondContact O-N 2.84Å; E835-M838 PolarHBondContact O-N 3.36Å; E835-G839 PolarHBondContact O-N 3.22Å; E835-N840 HydrophobicContact CB-CB 4.3Å; E835-N840 WeakPolarHBondContact O-CA 3.27Å; E835-N840 WeakPolarHBondContact O-CB 2.99Å; E835-N840 PolarHBondContact O-N 3.12Å; E835-P842 HydrophobicContact CB-CB 4.32Å; E835-P842 VanDerWaalsContact OE2-CA 3.23Å; E835-P842 WeakPolarHBondContact OE2-CA 3.37Å; E835-P842 WeakPolarHBondContact OE2-CB 3.41Å
836	K	89.8	Confident	89.6	Confident	64 Å²	64	63.4 Å²	63.4	28%	0.278	34%	0.338	S	S	.	.	H	α-helix	trans	-60.2	-44.2	174.1	-73	177.6	-176.2	179.2	0	111.9	G832 D833 L834 M838 G839 N840 P842 D847	G832-K836 WeakPolarHBondContact O-CG 3.47Å; G832-K836 PolarHBondContact O-N 3.22Å; D833-K836 PolarHBondContact O-N 2.94Å; L834-K836 VanDerWaalsContact C-N 3.34Å; L834-K836 PolarHBondContact O-N 3.2Å; K836-M838 PolarHBondContact O-N 2.82Å; K836-G839 WeakPolarHBondContact O-CA 3.28Å; K836-G839 PolarHBondContact O-N 2.93Å; K836-N840 WeakPolarHBondContact CA-O 3.5Å; K836-P842 HydrophobicContact CD-CG 4.29Å; K836-P842 HydrophobicContact CG-CG 3.8Å; K836-D847 WeakPolarHBondContact CE-OD1 3.48Å; K836-D847 IonicContact NZ-OD1 2.69Å; K836-D847 PolarHBondContact NZ-OD1 2.85Å; K836-D847 IonicContact NZ-OD2 2.74Å
837	A	89.3	Confident	89.5	Confident	89 Å²	89	57.9 Å²	57.9	74%	0.736	31%	0.314	S	S	*	.	H	α-helix	trans	-63.8	-30.6	178.8	0	0	0	0	0	112.6	D833 L834 E835 G839	D833-A837 WeakPolarHBondContact O-CB 3.23Å; D833-A837 PolarHBondContact O-N 3.46Å; L834-A837 PolarHBondContact O-N 3.06Å; E835-A837 PolarHBondContact O-N 2.84Å; A837-G839 PolarHBondContact O-N 3.28Å
838	M	85.2	Confident	89.1	Confident	98 Å²	98	61.8 Å²	61.8	48%	0.483	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-2	172.5	-66.2	174.8	68	0	0	113.6	F705 L834 E835 K836	F705-M838 HydrophobicContact CE2-SD 3.88Å; F705-M838 HydrophobicContact CZ-SD 3.79Å; L834-M838 VanDerWaalsContact O-CG 3.3Å; L834-M838 WeakPolarHBondContact O-CG 3.37Å; L834-M838 PolarHBondContact O-N 3.06Å; E835-M838 PolarHBondContact O-N 3.36Å; K836-M838 PolarHBondContact O-N 2.82Å
839	G	85.7	Confident	88.6	Confident	66 Å²	66	66.4 Å²	66.4	68%	0.68	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	8.3	-177.4	0	0	0	0	0	114.6	E835 K836 A837	E835-G839 PolarHBondContact O-N 3.22Å; K836-G839 WeakPolarHBondContact O-CA 3.28Å; K836-G839 PolarHBondContact O-N 2.93Å; A837-G839 PolarHBondContact O-N 3.28Å
840	N	85.8	Confident	88.1	Confident	78 Å²	78	72.6 Å²	72.6	42%	0.417	38%	0.377	S	S	.	.			trans	-88.9	159.5	176.3	-65.6	-34.3	0	0	0	111.3	E835 K836	E835-N840 HydrophobicContact CB-CB 4.3Å; E835-N840 WeakPolarHBondContact O-CA 3.27Å; E835-N840 WeakPolarHBondContact O-CB 2.99Å; E835-N840 PolarHBondContact O-N 3.12Å; K836-N840 WeakPolarHBondContact CA-O 3.5Å
841	R	85.6	Confident	87.7	Confident	243 Å²	243	70.1 Å²	70.1	92%	0.917	36%	0.36	S	S	*	.			trans	-100.5	112.5	173.1	-68.3	-174.4	-177.7	-160.4	0.3	109
842	P	89.1	Confident	87.5	Confident	17 Å²	17	71.3 Å²	71.3	11%	0.11	37%	0.365	C	S	.	.			trans	-67.6	158.1	178.1	28.9	-35.7	0	0	0	111.6	E835 K836 M846 D847	E835-P842 HydrophobicContact CB-CB 4.32Å; E835-P842 VanDerWaalsContact OE2-CA 3.23Å; E835-P842 WeakPolarHBondContact OE2-CA 3.37Å; E835-P842 WeakPolarHBondContact OE2-CB 3.41Å; K836-P842 HydrophobicContact CD-CG 4.29Å; K836-P842 HydrophobicContact CG-CG 3.8Å; P842-M846 HydrophobicContact CB-CB 4.11Å; P842-D847 HydrophobicContact CG-CB 4.23Å
843	S	87.4	Confident	87.3	Confident	55 Å²	55	71.3 Å²	71.3	39%	0.385	37%	0.365	S	S	.	.			trans	-63.9	157.6	170.1	68.9	0	0	0	0	111.3	M845 M846 D847	S843-M845 VanDerWaalsContact C-N 3.25Å; S843-M845 PolarHBondContact O-N 3.33Å; S843-M846 PolarHBondContact O-N 2.81Å; S843-M846 WeakPolarHBondContact OG-CG 3.33Å; S843-D847 PolarHBondContact O-N 2.83Å; S843-D847 VanDerWaalsContact O-N 3.15Å
844	E	87.2	Confident	87.2	Confident	121 Å²	121	68.7 Å²	68.7	57%	0.565	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-55.9	-38.4	-177	-174.3	176.2	174.6	0	0	113.1	M846 D847 K850 A851	E844-M846 PolarHBondContact O-N 2.83Å; E844-D847 PolarHBondContact O-N 3.48Å; E844-K850 HydrophobicContact CG-CB 4.18Å; E844-A851 WeakPolarHBondContact O-CA 3.4Å; E844-A851 WeakPolarHBondContact O-CB 3.35Å
845	M	87.2	Confident	87.2	Confident	84 Å²	84	69.5 Å²	69.5	41%	0.414	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-68	-20.9	179.1	77.5	-177	96.7	0	0	114	F828 F829 S843 L856	F828-M845 HydrophobicContact CE2-SD 4.43Å; F829-M845 WeakPolarHBondContact CE1-O 3.35Å; S843-M845 VanDerWaalsContact C-N 3.25Å; S843-M845 PolarHBondContact O-N 3.33Å; M845-L856 HydrophobicContact CB-CD1 3.94Å; M845-L856 HydrophobicContact CB-CD2 4.17Å
846	M	88.3	Confident	87.2	Confident	6 Å²	6	70.4 Å²	70.4	3%	0.03	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-101	-6.3	-179.7	-58.3	-74	169.5	0	0	111.5	F828 G832 P842 S843 E844	F828-M846 WeakPolarHBondContact CA-SD 3.35Å; F828-M846 HydrophobicContact CB-CE 4.13Å; F828-M846 HydrophobicContact CB-SD 3.27Å; F828-M846 WeakPolarHBondContact CB-SD 3.33Å; F828-M846 HydrophobicContact CD1-CE 3.54Å; F828-M846 HydrophobicContact CD1-SD 3.74Å; F828-M846 HydrophobicContact CD2-CE 3.64Å; F828-M846 HydrophobicContact CD2-SD 3.88Å; F828-M846 HydrophobicContact CE1-CE 3.73Å; F828-M846 HydrophobicContact CE2-CE 3.83Å; F828-M846 HydrophobicContact CG-CE 3.49Å; F828-M846 VanDerWaalsContact CG-CE 3.49Å; F828-M846 HydrophobicContact CG-SD 3.36Å; F828-M846 WeakPolarHBondContact CG-SD 3.11Å; F828-M846 HydrophobicContact CZ-CE 3.87Å; F828-M846 VanDerWaalsContact O-SD 3.37Å; G832-M846 WeakPolarHBondContact CA-O 3.4Å; P842-M846 HydrophobicContact CB-CB 4.11Å; S843-M846 PolarHBondContact O-N 2.81Å; S843-M846 WeakPolarHBondContact OG-CG 3.33Å; E844-M846 PolarHBondContact O-N 2.83Å
847	D	88.1	Confident	87.4	Confident	2 Å²	2	67.7 Å²	67.7	1%	0.011	35%	0.346	C	S	.	.			trans	-96.6	103.5	-178.3	-169.3	-15.9	0	0	0	110.2	K836 P842 S843 E844 E849 K850 A851	K836-D847 WeakPolarHBondContact CE-OD1 3.48Å; K836-D847 IonicContact NZ-OD1 2.69Å; K836-D847 PolarHBondContact NZ-OD1 2.85Å; K836-D847 IonicContact NZ-OD2 2.74Å; P842-D847 HydrophobicContact CG-CB 4.23Å; S843-D847 PolarHBondContact O-N 2.83Å; S843-D847 VanDerWaalsContact O-N 3.15Å; E844-D847 PolarHBondContact O-N 3.48Å; D847-E849 PolarHBondContact O-N 3.46Å; D847-E849 PolarHBondContact OD1-N 2.84Å; D847-K850 HydrophobicContact CB-CB 4.21Å; D847-K850 HydrophobicContact CB-CG 4.48Å; D847-K850 PolarHBondContact O-N 3.37Å; D847-K850 WeakPolarHBondContact OD2-CE 3.32Å; D847-K850 IonicContact OD2-NZ 3.57Å; D847-K850 PolarHBondContact OD2-NZ 2.86Å; D847-A851 VanDerWaalsContact O-CB 3.31Å; D847-A851 WeakPolarHBondContact O-CB 3.47Å; D847-A851 PolarHBondContact O-N 2.63Å
848	R	86.9	Confident	87.6	Confident	87 Å²	87	64.4 Å²	64.4	33%	0.328	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-22.4	-179	64.6	174.5	67.6	-135.2	-3.8	115.1	F829 D833	F829-R848 HydrophobicContact CB-CB 3.99Å; F829-R848 HydrophobicContact CD1-CB 4.01Å; F829-R848 HydrophobicContact CD2-CB 3.57Å; F829-R848 HydrophobicContact CE1-CB 4.41Å; F829-R848 HydrophobicContact CE2-CB 3.98Å; F829-R848 HydrophobicContact CG-CB 3.58Å; F829-R848 HydrophobicContact CZ-CB 4.4Å; D833-R848 IonicContact OD1-NE 2.83Å; D833-R848 PolarHBondContact OD1-NE 2.75Å; D833-R848 IonicContact OD2-CZ 3.15Å; D833-R848 IonicContact OD2-NE 2.74Å; D833-R848 PolarHBondContact OD2-NE 3.43Å; D833-R848 IonicContact OD2-NH2 2.9Å; D833-R848 PolarHBondContact OD2-NH2 3.32Å
849	E	82.3	Confident	88.1	Confident	148 Å²	148	62.5 Å²	62.5	69%	0.692	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-18.6	179.2	-65.6	172	-170	0	0	113	D847	D847-E849 PolarHBondContact O-N 3.46Å; D847-E849 PolarHBondContact OD1-N 2.84Å
850	K	83.6	Confident	88.5	Confident	131 Å²	131	62 Å²	62	57%	0.57	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-23.9	-175	-60.6	-174.5	-169.8	119.3	0	113.8	E844 D847 Y852	E844-K850 HydrophobicContact CG-CB 4.18Å; D847-K850 HydrophobicContact CB-CB 4.21Å; D847-K850 HydrophobicContact CB-CG 4.48Å; D847-K850 PolarHBondContact O-N 3.37Å; D847-K850 WeakPolarHBondContact OD2-CE 3.32Å; D847-K850 IonicContact OD2-NZ 3.57Å; D847-K850 PolarHBondContact OD2-NZ 2.86Å; K850-Y852 PolarHBondContact O-N 2.93Å; K850-Y852 VanDerWaalsContact O-N 3.15Å
851	A	84.5	Confident	88.9	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.008	27%	0.272	C	S	.	.			trans	-61.4	116.7	-172.7	0	0	0	0	0	111.9	F829 E844 D847 I853 L856 S910	F829-A851 HydrophobicContact CE1-CB 3.45Å; F829-A851 VanDerWaalsContact CE1-CB 3.45Å; F829-A851 HydrophobicContact CZ-CB 3.53Å; E844-A851 WeakPolarHBondContact O-CA 3.4Å; E844-A851 WeakPolarHBondContact O-CB 3.35Å; D847-A851 VanDerWaalsContact O-CB 3.31Å; D847-A851 WeakPolarHBondContact O-CB 3.47Å; D847-A851 PolarHBondContact O-N 2.63Å; A851-I853 PolarHBondContact O-N 2.98Å; A851-L856 HydrophobicContact CB-CD1 4.2Å; A851-S910 WeakPolarHBondContact O-CB 3.45Å; A851-S910 PolarHBondContact O-OG 3.37Å
852	Y	87.1	Confident	89.3	Confident	31 Å²	31	50.3 Å²	50.3	12%	0.122	25%	0.245	C	C	.	.			trans	-94.6	83.4	172.6	-166.6	-118.1	0	0	0	110.5	K850 E855 L856 S897 F900	K850-Y852 PolarHBondContact O-N 2.93Å; K850-Y852 VanDerWaalsContact O-N 3.15Å; Y852-E855 HydrophobicContact CD1-CB 3.61Å; Y852-E855 HydrophobicContact CD1-CG 3.48Å; Y852-E855 VanDerWaalsContact CD1-CG 3.48Å; Y852-E855 WeakPolarHBondContact CD1-OE2 3.46Å; Y852-E855 HydrophobicContact CE1-CB 4.04Å; Y852-E855 HydrophobicContact CE1-CG 3.41Å; Y852-E855 VanDerWaalsContact CE1-CG 3.41Å; Y852-E855 VanDerWaalsContact CE1-OE1 3.26Å; Y852-E855 WeakPolarHBondContact CE1-OE1 3.5Å; Y852-E855 PolarHBondContact O-N 3.36Å; Y852-L856 WeakPolarHBondContact O-CG 3.42Å; Y852-L856 PolarHBondContact O-N 3.1Å; Y852-L856 VanDerWaalsContact O-N 3.15Å; Y852-S897 PolarHBondContact OH-O 2.92Å; Y852-F900 HydrophobicContact CD2-CD1 4.28Å; Y852-F900 HydrophobicContact CD2-CE1 4.13Å; Y852-F900 HydrophobicContact CE2-CB 4.36Å; Y852-F900 AromaticContact CE2-CD1 3.35Å; Y852-F900 HydrophobicContact CE2-CD1 3.35Å; Y852-F900 AromaticContact CE2-CE1 3.62Å; Y852-F900 HydrophobicContact CE2-CE1 3.62Å; Y852-F900 AromaticContact CE2-CG 3.88Å; Y852-F900 HydrophobicContact CE2-CG 3.88Å; Y852-F900 HydrophobicContact CE2-CZ 4.39Å
853	I	88.5	Confident	89.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-50.8	-45.8	-169.6	-68.7	173	0	0	0	114	Y825 F829 A851 L856 Q857 W893 L911 L914	Y825-I853 HydrophobicContact CD1-CG1 4.07Å; Y825-I853 HydrophobicContact CD2-CB 4.38Å; Y825-I853 HydrophobicContact CD2-CD1 3.98Å; Y825-I853 HydrophobicContact CD2-CG1 3.87Å; Y825-I853 HydrophobicContact CD2-CG2 3.74Å; Y825-I853 HydrophobicContact CE1-CG1 4.19Å; Y825-I853 HydrophobicContact CE2-CB 4.15Å; Y825-I853 HydrophobicContact CE2-CG1 4.02Å; Y825-I853 HydrophobicContact CE2-CG2 3.43Å; Y825-I853 VanDerWaalsContact CE2-CG2 3.43Å; Y825-I853 HydrophobicContact CG-CD1 3.96Å; Y825-I853 HydrophobicContact CG-CG1 3.92Å; F829-I853 HydrophobicContact CE2-CD1 4.45Å; F829-I853 HydrophobicContact CZ-CD1 4.27Å; F829-I853 HydrophobicContact CZ-CG1 4.49Å; A851-I853 PolarHBondContact O-N 2.98Å; I853-L856 PolarHBondContact O-N 3.28Å; I853-Q857 HydrophobicContact CG2-CG 4.31Å; I853-Q857 WeakPolarHBondContact O-CB 3.43Å; I853-Q857 PolarHBondContact O-N 2.82Å; I853-W893 HydrophobicContact CG2-CH2 4.32Å; I853-W893 HydrophobicContact CG2-CZ3 4.22Å; I853-L911 HydrophobicContact CD1-CD2 3.65Å; I853-L911 HydrophobicContact CD1-CG 3.75Å; I853-L914 HydrophobicContact CD1-CD1 4.29Å; I853-L914 HydrophobicContact CG2-CD1 3.98Å
854	P	89.9	Confident	89.9	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61	-46.9	-177.8	-26.1	36.6	0	0	0	113.8	Q857 I858 W893 V896 F900	P854-Q857 PolarHBondContact O-N 3.37Å; P854-I858 WeakPolarHBondContact O-CD1 3.44Å; P854-I858 WeakPolarHBondContact O-CG1 3.35Å; P854-I858 PolarHBondContact O-N 3.11Å; P854-W893 HydrophobicContact CB-CE3 4.39Å; P854-V896 HydrophobicContact CB-CG1 4.46Å; P854-V896 HydrophobicContact CG-CG1 3.97Å; P854-F900 HydrophobicContact CG-CD2 4.12Å
855	E	89.2	Confident	90.3	Very high	111 Å²	111	48.3 Å²	48.3	52%	0.519	23%	0.228	S	C	.	.	H	α-helix	trans	-69.3	-37.3	177.9	-76.9	168.7	-169.6	0	0	112.1	Y852 Q857 I858 S859	Y852-E855 HydrophobicContact CD1-CB 3.61Å; Y852-E855 HydrophobicContact CD1-CG 3.48Å; Y852-E855 VanDerWaalsContact CD1-CG 3.48Å; Y852-E855 WeakPolarHBondContact CD1-OE2 3.46Å; Y852-E855 HydrophobicContact CE1-CB 4.04Å; Y852-E855 HydrophobicContact CE1-CG 3.41Å; Y852-E855 VanDerWaalsContact CE1-CG 3.41Å; Y852-E855 VanDerWaalsContact CE1-OE1 3.26Å; Y852-E855 WeakPolarHBondContact CE1-OE1 3.5Å; Y852-E855 PolarHBondContact O-N 3.36Å; E855-Q857 VanDerWaalsContact C-N 3.32Å; E855-Q857 PolarHBondContact O-N 2.88Å; E855-I858 PolarHBondContact O-N 2.94Å; E855-S859 VanDerWaalsContact O-CB 3.25Å; E855-S859 WeakPolarHBondContact O-CB 3.48Å; E855-S859 PolarHBondContact O-N 2.97Å
856	L	91.8	Very high	90.7	Very high	47 Å²	47	45.7 Å²	45.7	25%	0.246	22%	0.215	C	C	.	.	H	α-helix	trans	-60.6	-42.8	176	-69.6	171.5	0	0	0	111.1	Y825 M845 A851 Y852 I853 F860	Y825-L856 HydrophobicContact CE1-CD1 4.09Å; Y825-L856 WeakPolarHBondContact OH-CB 3.4Å; M845-L856 HydrophobicContact CB-CD1 3.94Å; M845-L856 HydrophobicContact CB-CD2 4.17Å; A851-L856 HydrophobicContact CB-CD1 4.2Å; Y852-L856 WeakPolarHBondContact O-CG 3.42Å; Y852-L856 PolarHBondContact O-N 3.1Å; Y852-L856 VanDerWaalsContact O-N 3.15Å; I853-L856 PolarHBondContact O-N 3.28Å; L856-F860 WeakPolarHBondContact O-CB 3.28Å; L856-F860 PolarHBondContact O-N 2.8Å
857	Q	93	Very high	91.1	Very high	7 Å²	7	47 Å²	47	3%	0.033	22%	0.224	C	C	.	.	H	α-helix	trans	-67.5	-44.5	174.8	-76.6	-63.8	-40.7	0	0	112.6	A821 Y825 I853 P854 E855 S859 F860 M861 W893	A821-Q857 HydrophobicContact CB-CG 4.47Å; Y825-Q857 HydrophobicContact CE2-CG 3.74Å; Y825-Q857 PolarHBondContact OH-NE2 2.85Å; I853-Q857 HydrophobicContact CG2-CG 4.31Å; I853-Q857 WeakPolarHBondContact O-CB 3.43Å; I853-Q857 PolarHBondContact O-N 2.82Å; P854-Q857 PolarHBondContact O-N 3.37Å; E855-Q857 VanDerWaalsContact C-N 3.32Å; E855-Q857 PolarHBondContact O-N 2.88Å; Q857-S859 VanDerWaalsContact C-N 3.32Å; Q857-S859 PolarHBondContact O-N 3.16Å; Q857-F860 PolarHBondContact O-N 2.91Å; Q857-M861 WeakPolarHBondContact O-CB 3.02Å; Q857-M861 VanDerWaalsContact O-CG 3.23Å; Q857-M861 WeakPolarHBondContact O-CG 3.44Å; Q857-M861 PolarHBondContact O-N 3.07Å; Q857-W893 HydrophobicContact CB-CD2 4.01Å; Q857-W893 HydrophobicContact CB-CE3 4.41Å; Q857-W893 HydrophobicContact CB-CG 4.29Å; Q857-W893 HydrophobicContact CB-CZ2 4.45Å; Q857-W893 HydrophobicContact CG-CD2 4.5Å; Q857-W893 HydrophobicContact CG-CH2 4.35Å; Q857-W893 HydrophobicContact CG-CZ2 4.07Å
858	I	93.9	Very high	91.6	Very high	20 Å²	20	46.9 Å²	46.9	10%	0.103	22%	0.223	C	C	.	.	H	α-helix	trans	-58	-47.8	176.1	-67.6	162.7	0	0	0	110.3	P854 E855 F860 M861 E862 W893	P854-I858 WeakPolarHBondContact O-CD1 3.44Å; P854-I858 WeakPolarHBondContact O-CG1 3.35Å; P854-I858 PolarHBondContact O-N 3.11Å; E855-I858 PolarHBondContact O-N 2.94Å; I858-F860 PolarHBondContact O-N 2.86Å; I858-M861 PolarHBondContact O-N 3.5Å; I858-E862 HydrophobicContact CG2-CG 4.34Å; I858-E862 WeakPolarHBondContact CG2-OE1 3.37Å; I858-E862 WeakPolarHBondContact O-CB 3.47Å; I858-E862 WeakPolarHBondContact O-CG 3.33Å; I858-E862 PolarHBondContact O-N 3.33Å; I858-W893 HydrophobicContact CD1-CB 4.34Å; I858-W893 HydrophobicContact CG1-CB 3.73Å
859	S	94.5	Very high	92.1	Very high	58 Å²	58	42.8 Å²	42.8	41%	0.406	21%	0.208	S	C	.	.	H	α-helix	trans	-61.1	-44.9	179.1	-176.3	0	0	0	0	111.8	E855 Q857 E862 H863	E855-S859 VanDerWaalsContact O-CB 3.25Å; E855-S859 WeakPolarHBondContact O-CB 3.48Å; E855-S859 PolarHBondContact O-N 2.97Å; Q857-S859 VanDerWaalsContact C-N 3.32Å; Q857-S859 PolarHBondContact O-N 3.16Å; S859-E862 PolarHBondContact O-N 3.5Å; S859-H863 WeakPolarHBondContact O-CB 3.3Å; S859-H863 PolarHBondContact O-N 2.76Å; S859-H863 PolarHBondContact O-ND1 2.73Å
860	F	94.5	Very high	92.7	Very high	56 Å²	56	40.5 Å²	40.5	25%	0.246	20%	0.196	C	C	.	.	H	α-helix	trans	-59.8	-46.3	175.2	173.4	-106.8	0	0	0	111.9	L807 Q810 L856 Q857 I858 I864 A865	L807-F860 HydrophobicContact CD1-CZ 4.08Å; L807-F860 HydrophobicContact CD2-CZ 3.94Å; Q810-F860 HydrophobicContact CG-CE1 4.26Å; L856-F860 WeakPolarHBondContact O-CB 3.28Å; L856-F860 PolarHBondContact O-N 2.8Å; Q857-F860 PolarHBondContact O-N 2.91Å; I858-F860 PolarHBondContact O-N 2.86Å; F860-I864 HydrophobicContact CD2-CB 3.99Å; F860-I864 HydrophobicContact CD2-CG1 3.97Å; F860-I864 HydrophobicContact CD2-CG2 4.47Å; F860-I864 HydrophobicContact CE2-CB 3.86Å; F860-I864 HydrophobicContact CE2-CG1 4.13Å; F860-I864 HydrophobicContact CE2-CG2 3.84Å; F860-I864 HydrophobicContact CZ-CG2 4.3Å; F860-I864 WeakPolarHBondContact O-CA 3.37Å; F860-I864 VanDerWaalsContact O-CB 3.28Å; F860-I864 WeakPolarHBondContact O-CB 3.29Å; F860-I864 PolarHBondContact O-N 3.23Å; F860-A865 HydrophobicContact CE1-CB 4.4Å; F860-A865 PolarHBondContact O-N 2.91Å
861	M	94.7	Very high	93.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.17	C	C	.	.	I	π-helix	trans	-64.2	-44.7	179.6	-67.5	178.4	86.6	0	0	111.8	Q857 I858 A865 M866 V886 N889 R890 W893	Q857-M861 WeakPolarHBondContact O-CB 3.02Å; Q857-M861 VanDerWaalsContact O-CG 3.23Å; Q857-M861 WeakPolarHBondContact O-CG 3.44Å; Q857-M861 PolarHBondContact O-N 3.07Å; I858-M861 PolarHBondContact O-N 3.5Å; M861-A865 PolarHBondContact O-N 2.85Å; M861-M866 VanDerWaalsContact O-CB 3.25Å; M861-M866 WeakPolarHBondContact O-CB 3.4Å; M861-M866 VanDerWaalsContact O-CG 3.29Å; M861-M866 WeakPolarHBondContact O-CG 3.39Å; M861-M866 PolarHBondContact O-N 3.11Å; M861-V886 HydrophobicContact CE-CG1 3.67Å; M861-V886 WeakPolarHBondContact CE-O 3.22Å; M861-N889 HydrophobicContact CE-CB 3.73Å; M861-R890 HydrophobicContact CE-CB 4.02Å; M861-R890 HydrophobicContact SD-CB 4.09Å; M861-W893 VanDerWaalsContact SD-CD1 3.51Å
862	E	94.8	Very high	93.9	Very high	75 Å²	75	34.5 Å²	34.5	35%	0.35	17%	0.17	S	C	.	.	I	π-helix	trans	-67.9	-40.1	-178.1	-74.1	178.7	176.6	0	0	113.2	I858 S859 P867 R890	I858-E862 HydrophobicContact CG2-CG 4.34Å; I858-E862 WeakPolarHBondContact CG2-OE1 3.37Å; I858-E862 WeakPolarHBondContact O-CB 3.47Å; I858-E862 WeakPolarHBondContact O-CG 3.33Å; I858-E862 PolarHBondContact O-N 3.33Å; S859-E862 PolarHBondContact O-N 3.5Å; E862-P867 WeakPolarHBondContact O-CD 3.35Å; E862-P867 WeakPolarHBondContact O-CG 3.34Å; E862-R890 HydrophobicContact CG-CG 4.47Å; E862-R890 IonicContact OE1-CZ 3.09Å; E862-R890 IonicContact OE1-NE 2.66Å; E862-R890 PolarHBondContact OE1-NE 2.73Å; E862-R890 IonicContact OE1-NH2 3.17Å; E862-R890 PolarHBondContact OE1-NH2 2.9Å
863	H	93.9	Very high	94.3	Very high	126 Å²	126	34 Å²	34	58%	0.583	17%	0.171	S	C	*	.	I	π-helix	trans	-94.4	-22.2	-173	-62.8	91.7	0	0	0	113.8	S859	S859-H863 WeakPolarHBondContact O-CB 3.3Å; S859-H863 PolarHBondContact O-N 2.76Å; S859-H863 PolarHBondContact O-ND1 2.73Å
864	I	94.2	Very high	94.5	Very high	24 Å²	24	38.8 Å²	38.8	12%	0.123	19%	0.193	C	C	.	.	I	π-helix	trans	-120.3	-66.3	-176.1	-53.5	-62.8	0	0	0	111.5	L768 L772 L807 F860 P867 I868	L768-I864 HydrophobicContact CD1-CG2 3.68Å; L768-I864 HydrophobicContact CD2-CD1 4.19Å; L768-I864 HydrophobicContact CD2-CG1 4.3Å; L768-I864 HydrophobicContact CD2-CG2 4.01Å; L768-I864 HydrophobicContact CG-CG2 4.42Å; L772-I864 HydrophobicContact CD1-CD1 4.44Å; L772-I864 HydrophobicContact CD2-CD1 3.86Å; L807-I864 HydrophobicContact CD1-CG2 3.91Å; F860-I864 HydrophobicContact CD2-CB 3.99Å; F860-I864 HydrophobicContact CD2-CG1 3.97Å; F860-I864 HydrophobicContact CD2-CG2 4.47Å; F860-I864 HydrophobicContact CE2-CB 3.86Å; F860-I864 HydrophobicContact CE2-CG1 4.13Å; F860-I864 HydrophobicContact CE2-CG2 3.84Å; F860-I864 HydrophobicContact CZ-CG2 4.3Å; F860-I864 WeakPolarHBondContact O-CA 3.37Å; F860-I864 VanDerWaalsContact O-CB 3.28Å; F860-I864 WeakPolarHBondContact O-CB 3.29Å; F860-I864 PolarHBondContact O-N 3.23Å; I864-P867 WeakPolarHBondContact O-CD 3.41Å; I864-I868 HydrophobicContact CG2-CD1 4.02Å; I864-I868 WeakPolarHBondContact O-CD1 3.22Å; I864-I868 WeakPolarHBondContact O-CG1 3.11Å; I864-I868 PolarHBondContact O-N 3.13Å
865	A	95.4	Very high	94.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	I	π-helix	trans	-68.8	-49.9	-167.2	0	0	0	0	0	113.1	Q810 F860 M861 I868 Y869 V886	Q810-A865 HydrophobicContact CB-CB 4.49Å; Q810-A865 HydrophobicContact CG-CB 4.24Å; F860-A865 HydrophobicContact CE1-CB 4.4Å; F860-A865 PolarHBondContact O-N 2.91Å; M861-A865 PolarHBondContact O-N 2.85Å; A865-I868 WeakPolarHBondContact O-CB 2.86Å; A865-I868 PolarHBondContact O-N 3.2Å; A865-Y869 HydrophobicContact CB-CE2 4.48Å; A865-Y869 WeakPolarHBondContact O-CD2 3.5Å; A865-Y869 PolarHBondContact O-N 2.85Å; A865-Y869 VanDerWaalsContact O-N 3.14Å; A865-V886 HydrophobicContact CB-CG1 4.36Å
866	M	96.2	Very high	95	Very high	30 Å²	30	35 Å²	35	15%	0.148	18%	0.176	C	C	.	.	H	α-helix	trans	-59.9	-45.3	-178.8	-71.2	178.4	69.6	0	0	112.7	M861 I868 Y869 K870 Y883 V886 A887 R890	M861-M866 VanDerWaalsContact O-CB 3.25Å; M861-M866 WeakPolarHBondContact O-CB 3.4Å; M861-M866 VanDerWaalsContact O-CG 3.29Å; M861-M866 WeakPolarHBondContact O-CG 3.39Å; M861-M866 PolarHBondContact O-N 3.11Å; M866-I868 VanDerWaalsContact C-N 3.28Å; M866-I868 PolarHBondContact O-N 2.69Å; M866-Y869 PolarHBondContact O-N 3.17Å; M866-K870 VanDerWaalsContact O-CB 3.24Å; M866-K870 WeakPolarHBondContact O-CB 3.35Å; M866-K870 PolarHBondContact O-N 3.08Å; M866-Y883 HydrophobicContact CB-CE2 4.35Å; M866-Y883 HydrophobicContact CE-CE2 4.18Å; M866-V886 HydrophobicContact CG-CG1 3.61Å; M866-A887 HydrophobicContact CE-CB 4.13Å; M866-R890 HydrophobicContact SD-CB 4.33Å; M866-R890 HydrophobicContact SD-CG 4.25Å
867	P	97.1	Very high	94.9	Very high	33 Å²	33	37.7 Å²	37.7	21%	0.214	20%	0.196	C	C	.	.	H	α-helix	trans	-56	-38.3	174	-27.6	34	0	0	0	114.2	F775 E862 I864 L871	F775-P867 HydrophobicContact CE2-CB 3.9Å; F775-P867 HydrophobicContact CZ-CB 3.62Å; E862-P867 WeakPolarHBondContact O-CD 3.35Å; E862-P867 WeakPolarHBondContact O-CG 3.34Å; I864-P867 WeakPolarHBondContact O-CD 3.41Å; P867-L871 PolarHBondContact O-N 3.1Å
868	I	96.7	Very high	94.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.3	-53.7	177.8	-68.6	164.5	0	0	0	110.6	H771 L800 T803 S804 L807 I864 A865 M866 K870 L871 L872	H771-I868 WeakPolarHBondContact NE2-CG1 3.22Å; L800-I868 HydrophobicContact CD1-CG2 3.94Å; T803-I868 HydrophobicContact CG2-CD1 3.69Å; S804-I868 VanDerWaalsContact OG-CG2 3.3Å; S804-I868 WeakPolarHBondContact OG-CG2 3.4Å; L807-I868 HydrophobicContact CD1-CD1 3.75Å; I864-I868 HydrophobicContact CG2-CD1 4.02Å; I864-I868 WeakPolarHBondContact O-CD1 3.22Å; I864-I868 WeakPolarHBondContact O-CG1 3.11Å; I864-I868 PolarHBondContact O-N 3.13Å; A865-I868 WeakPolarHBondContact O-CB 2.86Å; A865-I868 PolarHBondContact O-N 3.2Å; M866-I868 VanDerWaalsContact C-N 3.28Å; M866-I868 PolarHBondContact O-N 2.69Å; I868-K870 VanDerWaalsContact C-N 3.26Å; I868-K870 PolarHBondContact O-N 3.02Å; I868-L871 PolarHBondContact O-N 2.83Å; I868-L872 PolarHBondContact O-N 2.9Å
869	Y	97.4	Very high	94.9	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-70.2	-24.2	-178.7	-67.1	-69.4	0	0	0	113.2	F665 S804 L807 S808 T811 A865 M866 L872 S873 L882 V886	F665-Y869 HydrophobicContact CE1-CE1 4.44Å; F665-Y869 HydrophobicContact CZ-CE1 4.28Å; S804-Y869 PolarHBondContact O-OH 2.93Å; L807-Y869 PolarHBondContact O-OH 2.87Å; S808-Y869 WeakPolarHBondContact CA-OH 3.05Å; S808-Y869 PolarHBondContact N-OH 2.91Å; T811-Y869 HydrophobicContact CG2-CD1 4Å; T811-Y869 HydrophobicContact CG2-CD2 4.37Å; T811-Y869 HydrophobicContact CG2-CE1 3.41Å; T811-Y869 VanDerWaalsContact CG2-CE1 3.41Å; T811-Y869 HydrophobicContact CG2-CE2 3.83Å; T811-Y869 HydrophobicContact CG2-CG 4.44Å; T811-Y869 WeakPolarHBondContact CG2-OH 3.43Å; A865-Y869 HydrophobicContact CB-CE2 4.48Å; A865-Y869 WeakPolarHBondContact O-CD2 3.5Å; A865-Y869 PolarHBondContact O-N 2.85Å; A865-Y869 VanDerWaalsContact O-N 3.14Å; M866-Y869 PolarHBondContact O-N 3.17Å; Y869-L872 HydrophobicContact CD1-CD2 4.21Å; Y869-S873 WeakPolarHBondContact O-CB 3.22Å; Y869-S873 PolarHBondContact O-N 2.85Å; Y869-S873 PolarHBondContact O-OG 2.91Å; Y869-L882 HydrophobicContact CD1-CB 3.98Å; Y869-L882 HydrophobicContact CD1-CD1 4.45Å; Y869-V886 HydrophobicContact CD2-CB 4.49Å; Y869-V886 HydrophobicContact CD2-CG2 3.62Å; Y869-V886 HydrophobicContact CE2-CG2 3.91Å; Y869-V886 HydrophobicContact CG-CG2 4.22Å
870	K	96.5	Very high	94.9	Very high	100 Å²	100	38.5 Å²	38.5	44%	0.435	21%	0.209	S	C	.	.	H	α-helix	trans	-66.6	-47.7	170	-176.1	176.7	171.9	-176	0	111.3	M866 I868 L872 S873 E874 Y883	M866-K870 VanDerWaalsContact O-CB 3.24Å; M866-K870 WeakPolarHBondContact O-CB 3.35Å; M866-K870 PolarHBondContact O-N 3.08Å; I868-K870 VanDerWaalsContact C-N 3.26Å; I868-K870 PolarHBondContact O-N 3.02Å; K870-L872 VanDerWaalsContact C-N 3.26Å; K870-L872 PolarHBondContact O-N 2.74Å; K870-S873 PolarHBondContact O-N 3.45Å; K870-S873 PolarHBondContact O-OG 2.8Å; K870-E874 WeakPolarHBondContact CE-OE1 3.42Å; K870-E874 WeakPolarHBondContact O-CG 3.4Å; K870-E874 PolarHBondContact O-N 2.87Å; K870-Y883 HydrophobicContact CB-CD2 3.8Å; K870-Y883 HydrophobicContact CB-CE2 3.72Å; K870-Y883 HydrophobicContact CG-CE2 4.3Å
871	L	95.9	Very high	95	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-39.8	174.1	-77.6	174.3	0	0	0	111.5	F775 L778 Q779 A782 L800 P867 I868 S873 E874 L875	F775-L871 HydrophobicContact CD2-CD1 4.01Å; F775-L871 HydrophobicContact CE2-CD1 3.37Å; F775-L871 HydrophobicContact CE2-CG 4.44Å; F775-L871 HydrophobicContact CZ-CD1 3.74Å; L778-L871 HydrophobicContact CB-CD1 4.02Å; Q779-L871 HydrophobicContact CG-CD1 4.19Å; Q779-L871 HydrophobicContact CG-CD2 4.01Å; A782-L871 HydrophobicContact CB-CD2 3.87Å; L800-L871 HydrophobicContact CD2-CB 4.44Å; P867-L871 PolarHBondContact O-N 3.1Å; I868-L871 PolarHBondContact O-N 2.83Å; L871-S873 VanDerWaalsContact C-N 3.33Å; L871-S873 PolarHBondContact O-N 2.95Å; L871-E874 PolarHBondContact O-N 3.43Å; L871-L875 WeakPolarHBondContact O-CG 3.3Å; L871-L875 PolarHBondContact O-N 2.88Å
872	L	95.8	Very high	95.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.5	-38.6	177.2	-161.6	70.8	0	0	0	111.8	L669 L800 L801 I868 Y869 K870 F876 A879 L882	L669-L872 HydrophobicContact CD2-CD2 4.08Å; L800-L872 HydrophobicContact CD2-CD1 4.37Å; L800-L872 HydrophobicContact CG-CD1 4.46Å; L801-L872 HydrophobicContact CD2-CD1 4.11Å; I868-L872 PolarHBondContact O-N 2.9Å; Y869-L872 HydrophobicContact CD1-CD2 4.21Å; K870-L872 VanDerWaalsContact C-N 3.26Å; K870-L872 PolarHBondContact O-N 2.74Å; L872-F876 HydrophobicContact CD1-CD2 3.88Å; L872-F876 HydrophobicContact CD1-CE2 4.08Å; L872-F876 HydrophobicContact CG-CD2 4.33Å; L872-F876 WeakPolarHBondContact O-CA 3.39Å; L872-F876 WeakPolarHBondContact O-CB 3.42Å; L872-F876 WeakPolarHBondContact O-CD2 3.37Å; L872-F876 PolarHBondContact O-N 2.91Å; L872-A879 HydrophobicContact CB-CB 4.4Å; L872-A879 HydrophobicContact CD2-CB 4.05Å; L872-A879 HydrophobicContact CG-CB 3.89Å; L872-L882 HydrophobicContact CD2-CD1 4.03Å
873	S	95.6	Very high	95.2	Very high	21 Å²	21	39.4 Å²	39.4	15%	0.147	21%	0.212	C	C	.	.	H	α-helix	trans	-74.3	-31.1	176.8	69.5	0	0	0	0	113.6	Y869 K870 L871 F876	Y869-S873 WeakPolarHBondContact O-CB 3.22Å; Y869-S873 PolarHBondContact O-N 2.85Å; Y869-S873 PolarHBondContact O-OG 2.91Å; K870-S873 PolarHBondContact O-N 3.45Å; K870-S873 PolarHBondContact O-OG 2.8Å; L871-S873 VanDerWaalsContact C-N 3.33Å; L871-S873 PolarHBondContact O-N 2.95Å; S873-F876 WeakPolarHBondContact CA-O 3.38Å; S873-F876 CarbonylContact O-C 3.55Å
874	E	94.3	Very high	95.3	Very high	99 Å²	99	39.2 Å²	39.2	46%	0.463	21%	0.211	S	C	.	.	H	α-helix	trans	-66.5	-39.4	172.4	-74.3	169.6	178.9	0	0	111.7	K870 L871	K870-E874 WeakPolarHBondContact CE-OE1 3.42Å; K870-E874 WeakPolarHBondContact O-CG 3.4Å; K870-E874 PolarHBondContact O-N 2.87Å; L871-E874 PolarHBondContact O-N 3.43Å
875	L	93.4	Very high	95.3	Very high	26 Å²	26	41.6 Å²	41.6	14%	0.136	22%	0.219	C	C	.	.	H	α-helix	trans	-76.6	-40.2	175.5	-70.6	168.9	0	0	0	112.6	M781 A782 L800 L871	M781-L875 HydrophobicContact CE-CD1 3.92Å; A782-L875 HydrophobicContact CB-CD2 4.02Å; A782-L875 HydrophobicContact CB-CG 4.13Å; L800-L875 HydrophobicContact CD2-CD1 3.59Å; L871-L875 WeakPolarHBondContact O-CG 3.3Å; L871-L875 PolarHBondContact O-N 2.88Å
876	F	94.8	Very high	95.3	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.026	22%	0.219	C	C	.	.			trans	-129.1	104.9	-175.8	-53.2	-80.8	0	0	0	110.4	L673 L675 Y678 L797 L872 S873 G878 A879	L673-F876 HydrophobicContact CB-CD1 4.24Å; L673-F876 HydrophobicContact CB-CG 4.4Å; L673-F876 HydrophobicContact CD1-CB 4Å; L673-F876 HydrophobicContact CD1-CD2 4.05Å; L673-F876 HydrophobicContact CD1-CG 3.95Å; L673-F876 HydrophobicContact CD2-CB 4.07Å; L673-F876 HydrophobicContact CG-CB 4.43Å; L675-F876 HydrophobicContact CD2-CE1 4.32Å; L675-F876 HydrophobicContact CD2-CZ 4.22Å; Y678-F876 HydrophobicContact CD1-CE1 4.09Å; Y678-F876 AromaticContact CD2-CE1 3.73Å; Y678-F876 HydrophobicContact CD2-CE1 3.73Å; Y678-F876 AromaticContact CE1-CE1 3.98Å; Y678-F876 HydrophobicContact CE1-CE1 3.98Å; Y678-F876 HydrophobicContact CE2-CD1 4.07Å; Y678-F876 AromaticContact CE2-CE1 3.6Å; Y678-F876 HydrophobicContact CE2-CE1 3.6Å; Y678-F876 AromaticContact CG-CE1 3.97Å; Y678-F876 HydrophobicContact CG-CE1 3.97Å; Y678-F876 AromaticContact CZ-CE1 3.73Å; L797-F876 HydrophobicContact CD1-CE2 3.73Å; L797-F876 HydrophobicContact CD1-CZ 3.8Å; L797-F876 HydrophobicContact CD2-CZ 4.16Å; L872-F876 HydrophobicContact CD1-CD2 3.88Å; L872-F876 HydrophobicContact CD1-CE2 4.08Å; L872-F876 HydrophobicContact CG-CD2 4.33Å; L872-F876 WeakPolarHBondContact O-CA 3.39Å; L872-F876 WeakPolarHBondContact O-CB 3.42Å; L872-F876 WeakPolarHBondContact O-CD2 3.37Å; L872-F876 PolarHBondContact O-N 2.91Å; S873-F876 WeakPolarHBondContact CA-O 3.38Å; S873-F876 CarbonylContact O-C 3.55Å; F876-G878 PolarHBondContact O-N 2.65Å; F876-A879 HydrophobicContact CB-CB 4.27Å; F876-A879 WeakPolarHBondContact O-CB 3.03Å; F876-A879 PolarHBondContact O-N 3.49Å
877	P	91.3	Very high	95.3	Very high	103 Å²	103	41.4 Å²	41.4	67%	0.669	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-56.6	-29.7	179.7	-28.5	35.7	0	0	0	114	A879 T880	P877-A879 PolarHBondContact O-N 3Å; P877-T880 WeakPolarHBondContact O-CB 3.43Å; P877-T880 PolarHBondContact O-N 3.01Å; P877-T880 VanDerWaalsContact O-N 3.16Å; P877-T880 PolarHBondContact O-OG1 2.84Å
878	G	91.3	Very high	95.2	Very high	46 Å²	46	42.1 Å²	42.1	47%	0.474	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-64.3	-17.1	174.5	0	0	0	0	0	114.6	F876 T880	F876-G878 PolarHBondContact O-N 2.65Å; G878-T880 VanDerWaalsContact C-N 3.35Å
879	A	94.4	Very high	95.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-87.2	0.5	175.8	0	0	0	0	0	113.4	L673 L872 F876 P877 E881 L882 Y883	L673-A879 HydrophobicContact CD1-CB 4.33Å; L673-A879 HydrophobicContact CD2-CB 4.1Å; L872-A879 HydrophobicContact CB-CB 4.4Å; L872-A879 HydrophobicContact CD2-CB 4.05Å; L872-A879 HydrophobicContact CG-CB 3.89Å; F876-A879 HydrophobicContact CB-CB 4.27Å; F876-A879 WeakPolarHBondContact O-CB 3.03Å; F876-A879 PolarHBondContact O-N 3.49Å; P877-A879 PolarHBondContact O-N 3Å; A879-E881 PolarHBondContact O-N 2.99Å; A879-L882 HydrophobicContact CB-CD1 4.06Å; A879-L882 VanDerWaalsContact O-CB 3.32Å; A879-L882 WeakPolarHBondContact O-CB 3.25Å; A879-L882 PolarHBondContact O-N 2.72Å; A879-Y883 PolarHBondContact O-N 2.77Å
880	T	95.1	Very high	95.1	Very high	57 Å²	57	45 Å²	45	35%	0.35	24%	0.242	S	C	.	.	H	α-helix	trans	-57.5	-37.7	179.2	-54.9	0	0	0	0	112.2	P877 G878 L882 Y883 E884	P877-T880 WeakPolarHBondContact O-CB 3.43Å; P877-T880 PolarHBondContact O-N 3.01Å; P877-T880 VanDerWaalsContact O-N 3.16Å; P877-T880 PolarHBondContact O-OG1 2.84Å; G878-T880 VanDerWaalsContact C-N 3.35Å; T880-L882 PolarHBondContact O-N 2.97Å; T880-Y883 PolarHBondContact O-N 3.37Å; T880-E884 HydrophobicContact CG2-CG 4.38Å; T880-E884 WeakPolarHBondContact O-CG 3.46Å; T880-E884 PolarHBondContact O-N 3.42Å
881	E	95.5	Very high	95	Very high	77 Å²	77	44.7 Å²	44.7	36%	0.36	24%	0.242	S	C	.	.	H	α-helix	trans	-57.3	-38.2	176.3	-174.3	-174.2	168.1	0	0	112	A879 E884 R885	A879-E881 PolarHBondContact O-N 2.99Å; E881-E884 PolarHBondContact O-N 3.24Å; E881-R885 WeakPolarHBondContact O-CB 3.24Å; E881-R885 PolarHBondContact O-N 3.08Å; E881-R885 IonicContact OE1-NH2 3.29Å; E881-R885 PolarHBondContact OE1-NH2 2.77Å; E881-R885 VanDerWaalsContact OE1-NH2 3.09Å
882	L	96.6	Very high	94.8	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.016	26%	0.255	C	S	.	.	H	α-helix	trans	-64.7	-46.1	-179.3	-58.2	174.3	0	0	0	110.9	F601 F665 L669 T811 Y869 L872 A879 T880 R885 V886	F601-L882 HydrophobicContact CB-CD2 3.94Å; F601-L882 HydrophobicContact CD1-CD1 4.41Å; F601-L882 HydrophobicContact CD1-CD2 3.71Å; F601-L882 HydrophobicContact CD1-CG 4.43Å; F601-L882 HydrophobicContact CD2-CD2 4.21Å; F601-L882 HydrophobicContact CD2-CG 4.48Å; F601-L882 HydrophobicContact CE1-CD1 4.05Å; F601-L882 HydrophobicContact CE1-CD2 4.21Å; F601-L882 HydrophobicContact CG-CD2 3.71Å; F601-L882 HydrophobicContact CG-CG 4.43Å; F601-L882 HydrophobicContact CZ-CD1 4.12Å; F665-L882 HydrophobicContact CE2-CD2 4Å; F665-L882 HydrophobicContact CZ-CD1 3.77Å; F665-L882 HydrophobicContact CZ-CD2 3.9Å; F665-L882 HydrophobicContact CZ-CG 4.46Å; L669-L882 HydrophobicContact CD2-CD1 4.17Å; T811-L882 HydrophobicContact CG2-CB 4.1Å; T811-L882 HydrophobicContact CG2-CD2 4.08Å; Y869-L882 HydrophobicContact CD1-CB 3.98Å; Y869-L882 HydrophobicContact CD1-CD1 4.45Å; L872-L882 HydrophobicContact CD2-CD1 4.03Å; A879-L882 HydrophobicContact CB-CD1 4.06Å; A879-L882 VanDerWaalsContact O-CB 3.32Å; A879-L882 WeakPolarHBondContact O-CB 3.25Å; A879-L882 PolarHBondContact O-N 2.72Å; T880-L882 PolarHBondContact O-N 2.97Å; L882-R885 PolarHBondContact O-N 3.07Å; L882-V886 VanDerWaalsContact O-CG2 3.29Å; L882-V886 WeakPolarHBondContact O-CG2 3.31Å; L882-V886 PolarHBondContact O-N 3.48Å
883	Y	96.9	Very high	94.7	Very high	70 Å²	70	47.5 Å²	47.5	28%	0.275	26%	0.255	S	S	.	.	H	α-helix	trans	-62.3	-46.2	177.2	175	-98.6	0	0	0	111.8	M866 K870 A879 T880 R885 V886 A887	M866-Y883 HydrophobicContact CB-CE2 4.35Å; M866-Y883 HydrophobicContact CE-CE2 4.18Å; K870-Y883 HydrophobicContact CB-CD2 3.8Å; K870-Y883 HydrophobicContact CB-CE2 3.72Å; K870-Y883 HydrophobicContact CG-CE2 4.3Å; A879-Y883 PolarHBondContact O-N 2.77Å; T880-Y883 PolarHBondContact O-N 3.37Å; Y883-R885 VanDerWaalsContact C-N 3.27Å; Y883-R885 PolarHBondContact O-N 3.4Å; Y883-V886 PolarHBondContact O-N 2.95Å; Y883-A887 WeakPolarHBondContact O-CB 3.38Å; Y883-A887 PolarHBondContact O-N 3.36Å
884	E	96	Very high	94.5	Very high	122 Å²	122	47.6 Å²	47.6	57%	0.57	26%	0.255	S	S	*	.	H	α-helix	trans	-61.2	-37.6	178.1	-71.3	-178.7	172.7	0	0	111.8	T880 E881 A887 A888	T880-E884 HydrophobicContact CG2-CG 4.38Å; T880-E884 WeakPolarHBondContact O-CG 3.46Å; T880-E884 PolarHBondContact O-N 3.42Å; E881-E884 PolarHBondContact O-N 3.24Å; E884-A887 PolarHBondContact O-N 3.45Å; E884-A888 WeakPolarHBondContact O-CB 3.27Å; E884-A888 PolarHBondContact O-N 3.41Å
885	R	94.8	Very high	94.3	Very high	73 Å²	73	47.9 Å²	47.9	28%	0.275	26%	0.255	S	S	.	.	H	α-helix	trans	-67.8	-43	177.5	-160.1	72.9	70.5	112	1.8	112.5	T811 E881 L882 Y883 A887 A888 N889	T811-R885 VanDerWaalsContact O-CG 3.24Å; T811-R885 WeakPolarHBondContact O-CG 3.35Å; E881-R885 WeakPolarHBondContact O-CB 3.24Å; E881-R885 PolarHBondContact O-N 3.08Å; E881-R885 IonicContact OE1-NH2 3.29Å; E881-R885 PolarHBondContact OE1-NH2 2.77Å; E881-R885 VanDerWaalsContact OE1-NH2 3.09Å; L882-R885 PolarHBondContact O-N 3.07Å; Y883-R885 VanDerWaalsContact C-N 3.27Å; Y883-R885 PolarHBondContact O-N 3.4Å; R885-A887 VanDerWaalsContact C-N 3.33Å; R885-A887 PolarHBondContact O-N 3.11Å; R885-A888 PolarHBondContact O-N 3.43Å; R885-N889 PolarHBondContact O-N 2.85Å
886	V	96.3	Very high	93.9	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.2	-43.4	175.2	177.3	0	0	0	0	110.1	Q810 T811 M861 A865 M866 Y869 L882 Y883 A888 N889 R890	Q810-V886 HydrophobicContact CB-CG2 4.19Å; Q810-V886 WeakPolarHBondContact O-CG2 3.49Å; T811-V886 HydrophobicContact CG2-CG2 3.83Å; M861-V886 HydrophobicContact CE-CG1 3.67Å; M861-V886 WeakPolarHBondContact CE-O 3.22Å; A865-V886 HydrophobicContact CB-CG1 4.36Å; M866-V886 HydrophobicContact CG-CG1 3.61Å; Y869-V886 HydrophobicContact CD2-CB 4.49Å; Y869-V886 HydrophobicContact CD2-CG2 3.62Å; Y869-V886 HydrophobicContact CE2-CG2 3.91Å; Y869-V886 HydrophobicContact CG-CG2 4.22Å; L882-V886 VanDerWaalsContact O-CG2 3.29Å; L882-V886 WeakPolarHBondContact O-CG2 3.31Å; L882-V886 PolarHBondContact O-N 3.48Å; Y883-V886 PolarHBondContact O-N 2.95Å; V886-A888 VanDerWaalsContact C-N 3.34Å; V886-A888 PolarHBondContact O-N 3.06Å; V886-N889 PolarHBondContact O-N 2.91Å; V886-R890 PolarHBondContact O-N 3.14Å
887	A	95.9	Very high	93.5	Very high	26 Å²	26	47.3 Å²	47.3	22%	0.215	25%	0.253	C	S	.	.	H	α-helix	trans	-61.3	-41.6	175.1	0	0	0	0	0	112.1	M866 Y883 E884 R885 R890 E891	M866-A887 HydrophobicContact CE-CB 4.13Å; Y883-A887 WeakPolarHBondContact O-CB 3.38Å; Y883-A887 PolarHBondContact O-N 3.36Å; E884-A887 PolarHBondContact O-N 3.45Å; R885-A887 VanDerWaalsContact C-N 3.33Å; R885-A887 PolarHBondContact O-N 3.11Å; A887-R890 PolarHBondContact O-N 2.78Å; A887-E891 PolarHBondContact O-N 2.89Å; A887-E891 VanDerWaalsContact O-N 3.15Å
888	A	95.6	Very high	93.2	Very high	48 Å²	48	48 Å²	48	40%	0.397	25%	0.247	S	C	.	.	H	α-helix	trans	-64.2	-40.5	175.7	0	0	0	0	0	112.4	E884 R885 V886 E891 Q892	E884-A888 WeakPolarHBondContact O-CB 3.27Å; E884-A888 PolarHBondContact O-N 3.41Å; R885-A888 PolarHBondContact O-N 3.43Å; V886-A888 VanDerWaalsContact C-N 3.34Å; V886-A888 PolarHBondContact O-N 3.06Å; A888-E891 WeakPolarHBondContact O-CB 3.46Å; A888-E891 PolarHBondContact O-N 3.27Å; A888-Q892 PolarHBondContact O-N 3.36Å
889	N	95.3	Very high	92.5	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.027	24%	0.242	C	C	.	.	H	α-helix	trans	-65.9	-37.7	175.3	-78.2	-22.3	0	0	0	112	Q810 K812 T817 M861 R885 V886 E891 Q892 W893	Q810-N889 PolarHBondContact O-ND2 2.86Å; K812-N889 PolarHBondContact O-ND2 3.32Å; T817-N889 PolarHBondContact OG1-ND2 2.86Å; M861-N889 HydrophobicContact CE-CB 3.73Å; R885-N889 PolarHBondContact O-N 2.85Å; V886-N889 PolarHBondContact O-N 2.91Å; N889-E891 VanDerWaalsContact C-N 3.29Å; N889-E891 PolarHBondContact O-N 2.88Å; N889-Q892 WeakPolarHBondContact O-CB 3.23Å; N889-Q892 PolarHBondContact O-N 3.15Å; N889-Q892 VanDerWaalsContact O-N 3.09Å; N889-W893 PolarHBondContact O-N 2.88Å
890	R	95.9	Very high	91.6	Very high	57 Å²	57	50 Å²	50	22%	0.215	24%	0.243	C	C	.	.	H	α-helix	trans	-59.7	-40	173.6	-179.8	-91	176.5	-143.6	-10.2	111.7	M861 E862 M866 V886 A887 Q892 W893 T894	M861-R890 HydrophobicContact CE-CB 4.02Å; M861-R890 HydrophobicContact SD-CB 4.09Å; E862-R890 HydrophobicContact CG-CG 4.47Å; E862-R890 IonicContact OE1-CZ 3.09Å; E862-R890 IonicContact OE1-NE 2.66Å; E862-R890 PolarHBondContact OE1-NE 2.73Å; E862-R890 IonicContact OE1-NH2 3.17Å; E862-R890 PolarHBondContact OE1-NH2 2.9Å; M866-R890 HydrophobicContact SD-CB 4.33Å; M866-R890 HydrophobicContact SD-CG 4.25Å; V886-R890 PolarHBondContact O-N 3.14Å; A887-R890 PolarHBondContact O-N 2.78Å; R890-Q892 VanDerWaalsContact C-N 3.34Å; R890-Q892 PolarHBondContact O-N 2.83Å; R890-W893 PolarHBondContact O-N 3.46Å; R890-T894 PolarHBondContact NH1-OG1 3.46Å; R890-T894 PolarHBondContact O-N 3.01Å; R890-T894 PolarHBondContact O-OG1 2.87Å
891	E	94.6	Very high	90.7	Very high	93 Å²	93	51.8 Å²	51.8	44%	0.435	25%	0.254	S	S	.	.	H	α-helix	trans	-64.5	-36.8	174.1	-73.5	-59.6	128.5	0	0	112.5	A887 A888 N889 T894 K895	A887-E891 PolarHBondContact O-N 2.89Å; A887-E891 VanDerWaalsContact O-N 3.15Å; A888-E891 WeakPolarHBondContact O-CB 3.46Å; A888-E891 PolarHBondContact O-N 3.27Å; N889-E891 VanDerWaalsContact C-N 3.29Å; N889-E891 PolarHBondContact O-N 2.88Å; E891-T894 WeakPolarHBondContact O-CB 3.29Å; E891-T894 PolarHBondContact O-N 3.48Å; E891-K895 WeakPolarHBondContact O-CG 3.39Å; E891-K895 PolarHBondContact O-N 3.36Å; E891-K895 VanDerWaalsContact O-N 3.1Å
892	Q	92.4	Very high	89.5	Confident	66 Å²	66	55 Å²	55	31%	0.308	27%	0.272	S	S	.	.	H	α-helix	trans	-66.6	-43.8	174.3	-62.4	-59.3	-25.3	0	0	111.8	W814 A888 N889 R890 T894 K895 V896	W814-Q892 HydrophobicContact CD2-CB 3.63Å; W814-Q892 HydrophobicContact CD2-CG 4.04Å; W814-Q892 HydrophobicContact CE3-CB 3.31Å; W814-Q892 HydrophobicContact CE3-CG 4Å; W814-Q892 HydrophobicContact CG-CB 4.37Å; W814-Q892 HydrophobicContact CG-CG 4.28Å; W814-Q892 HydrophobicContact CH2-CB 3.88Å; W814-Q892 HydrophobicContact CZ2-CB 4.17Å; W814-Q892 HydrophobicContact CZ3-CB 3.44Å; W814-Q892 VanDerWaalsContact CZ3-CB 3.44Å; A888-Q892 PolarHBondContact O-N 3.36Å; N889-Q892 WeakPolarHBondContact O-CB 3.23Å; N889-Q892 PolarHBondContact O-N 3.15Å; N889-Q892 VanDerWaalsContact O-N 3.09Å; R890-Q892 VanDerWaalsContact C-N 3.34Å; R890-Q892 PolarHBondContact O-N 2.83Å; Q892-T894 VanDerWaalsContact C-N 3.26Å; Q892-T894 PolarHBondContact O-N 3.27Å; Q892-K895 WeakPolarHBondContact O-CB 3.32Å; Q892-K895 PolarHBondContact O-N 2.98Å; Q892-K895 VanDerWaalsContact O-N 3.09Å; Q892-V896 WeakPolarHBondContact O-CG2 3.31Å; Q892-V896 PolarHBondContact O-N 3.4Å
893	W	92.6	Very high	87.9	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.6	-36.7	173.6	-78.6	118.1	0	0	0	112.7	W814 R818 A821 I853 P854 Q857 I858 M861 N889 R890 K895 V896 S897 L914	W814-W893 AromaticContact CH2-CD2 3.63Å; W814-W893 HydrophobicContact CH2-CD2 3.63Å; W814-W893 AromaticContact CH2-CE2 3.81Å; W814-W893 AromaticContact CH2-CE3 3.87Å; W814-W893 HydrophobicContact CH2-CE3 3.87Å; W814-W893 AromaticContact CH2-CG 4Å; W814-W893 HydrophobicContact CH2-CG 4Å; W814-W893 HydrophobicContact CH2-CH2 4.42Å; W814-W893 HydrophobicContact CH2-CZ2 4.21Å; W814-W893 HydrophobicContact CH2-CZ3 4.26Å; W814-W893 AromaticContact CZ3-CD1 3.68Å; W814-W893 AromaticContact CZ3-CD2 3.73Å; W814-W893 HydrophobicContact CZ3-CD2 3.73Å; W814-W893 AromaticContact CZ3-CE2 3.63Å; W814-W893 HydrophobicContact CZ3-CE3 4.43Å; W814-W893 AromaticContact CZ3-CG 3.75Å; W814-W893 HydrophobicContact CZ3-CG 3.75Å; W814-W893 HydrophobicContact CZ3-CZ2 4.26Å; W814-W893 AromaticContact CZ3-NE1 3.62Å; R818-W893 HydrophobicContact CG-CH2 4.25Å; A821-W893 HydrophobicContact CB-CH2 4.02Å; A821-W893 HydrophobicContact CB-CZ2 3.72Å; I853-W893 HydrophobicContact CG2-CH2 4.32Å; I853-W893 HydrophobicContact CG2-CZ3 4.22Å; P854-W893 HydrophobicContact CB-CE3 4.39Å; Q857-W893 HydrophobicContact CB-CD2 4.01Å; Q857-W893 HydrophobicContact CB-CE3 4.41Å; Q857-W893 HydrophobicContact CB-CG 4.29Å; Q857-W893 HydrophobicContact CB-CZ2 4.45Å; Q857-W893 HydrophobicContact CG-CD2 4.5Å; Q857-W893 HydrophobicContact CG-CH2 4.35Å; Q857-W893 HydrophobicContact CG-CZ2 4.07Å; I858-W893 HydrophobicContact CD1-CB 4.34Å; I858-W893 HydrophobicContact CG1-CB 3.73Å; M861-W893 VanDerWaalsContact SD-CD1 3.51Å; N889-W893 PolarHBondContact O-N 2.88Å; R890-W893 PolarHBondContact O-N 3.46Å; W893-K895 PolarHBondContact O-N 3.44Å; W893-V896 HydrophobicContact CE3-CB 4.45Å; W893-V896 PolarHBondContact O-N 2.88Å; W893-S897 WeakPolarHBondContact O-CB 3.32Å; W893-S897 PolarHBondContact O-N 3.24Å; W893-L914 HydrophobicContact CH2-CD1 4.42Å; W893-L914 HydrophobicContact CH2-CD2 4.38Å; W893-L914 HydrophobicContact CZ3-CD2 3.98Å
894	T	91.7	Very high	86	Confident	23 Å²	23	60.9 Å²	60.9	14%	0.141	31%	0.305	C	S	.	.	H	α-helix	trans	-62.9	-40.8	174.3	-57.4	0	0	0	0	111.7	R890 E891 Q892 S897 H898	R890-T894 PolarHBondContact NH1-OG1 3.46Å; R890-T894 PolarHBondContact O-N 3.01Å; R890-T894 PolarHBondContact O-OG1 2.87Å; E891-T894 WeakPolarHBondContact O-CB 3.29Å; E891-T894 PolarHBondContact O-N 3.48Å; Q892-T894 VanDerWaalsContact C-N 3.26Å; Q892-T894 PolarHBondContact O-N 3.27Å; T894-S897 PolarHBondContact O-N 2.82Å; T894-H898 PolarHBondContact O-CD2 3.06Å; T894-H898 PolarHBondContact O-N 3.37Å
895	K	89.1	Confident	84.1	Confident	105 Å²	105	61 Å²	61	46%	0.457	31%	0.309	S	S	.	.	H	α-helix	trans	-64.6	-41.4	174.2	-66.7	168.2	-169.3	169.4	0	112	E891 Q892 W893 H898 K899	E891-K895 WeakPolarHBondContact O-CG 3.39Å; E891-K895 PolarHBondContact O-N 3.36Å; E891-K895 VanDerWaalsContact O-N 3.1Å; Q892-K895 WeakPolarHBondContact O-CB 3.32Å; Q892-K895 PolarHBondContact O-N 2.98Å; Q892-K895 VanDerWaalsContact O-N 3.09Å; W893-K895 PolarHBondContact O-N 3.44Å; K895-H898 PolarHBondContact O-N 3.29Å; K895-K899 WeakPolarHBondContact O-CG 3.48Å; K895-K899 PolarHBondContact O-N 2.91Å; K895-K899 VanDerWaalsContact O-N 3.12Å
896	V	86.8	Confident	82	Confident	7 Å²	7	59.7 Å²	59.7	4%	0.042	31%	0.31	C	S	.	.	H	α-helix	trans	-62.4	-47.3	175.7	174.9	0	0	0	0	110.1	W814 P854 Q892 W893 H898 K899 F900 L914	W814-V896 HydrophobicContact CH2-CG2 3.81Å; W814-V896 HydrophobicContact CZ2-CG2 3.62Å; P854-V896 HydrophobicContact CB-CG1 4.46Å; P854-V896 HydrophobicContact CG-CG1 3.97Å; Q892-V896 WeakPolarHBondContact O-CG2 3.31Å; Q892-V896 PolarHBondContact O-N 3.4Å; W893-V896 HydrophobicContact CE3-CB 4.45Å; W893-V896 PolarHBondContact O-N 2.88Å; V896-H898 PolarHBondContact O-N 2.99Å; V896-K899 PolarHBondContact O-N 3.18Å; V896-F900 WeakPolarHBondContact O-CB 3.32Å; V896-F900 PolarHBondContact O-N 2.79Å; V896-L914 HydrophobicContact CG1-CD2 4.05Å
897	S	86.3	Confident	79.8	Confident	13 Å²	13	65.1 Å²	65.1	9%	0.091	35%	0.347	C	S	.	.	H	α-helix	trans	-54.1	-51.1	175.9	172.9	0	0	0	0	111.6	Y852 W893 T894 K899 F900 T901	Y852-S897 PolarHBondContact OH-O 2.92Å; W893-S897 WeakPolarHBondContact O-CB 3.32Å; W893-S897 PolarHBondContact O-N 3.24Å; T894-S897 PolarHBondContact O-N 2.82Å; S897-K899 PolarHBondContact O-N 3.4Å; S897-F900 WeakPolarHBondContact O-CB 3.48Å; S897-F900 PolarHBondContact O-N 3.02Å; S897-F900 VanDerWaalsContact O-N 3.09Å; S897-T901 PolarHBondContact O-N 3.3Å; S897-T901 PolarHBondContact O-OG1 3.46Å
898	H	83.3	Confident	77.7	Confident	116 Å²	116	69.9 Å²	69.9	54%	0.537	37%	0.369	S	S	.	.	H	α-helix	trans	-58.1	-43.8	177.4	-79.5	-56.7	0	0	0	113.5	T894 K895 V896 F900 T901 I902	T894-H898 PolarHBondContact O-CD2 3.06Å; T894-H898 PolarHBondContact O-N 3.37Å; K895-H898 PolarHBondContact O-N 3.29Å; V896-H898 PolarHBondContact O-N 2.99Å; H898-F900 VanDerWaalsContact C-N 3.29Å; H898-F900 PolarHBondContact O-N 3.24Å; H898-T901 PolarHBondContact O-N 3.4Å; H898-I902 WeakPolarHBondContact O-CD1 3.3Å; H898-I902 VanDerWaalsContact O-CG1 3.25Å; H898-I902 WeakPolarHBondContact O-CG1 3.19Å; H898-I902 PolarHBondContact O-N 3.36Å; H898-I902 VanDerWaalsContact O-N 3.08Å
899	K	78.2	Confident	76.2	Confident	86 Å²	86	69.5 Å²	69.5	37%	0.374	36%	0.361	S	S	.	.	H	α-helix	trans	-63.9	-38.4	176.7	-73.7	179.8	-175.4	179.3	0	111.8	K895 V896 S897 I902 R903 E917	K895-K899 WeakPolarHBondContact O-CG 3.48Å; K895-K899 PolarHBondContact O-N 2.91Å; K895-K899 VanDerWaalsContact O-N 3.12Å; V896-K899 PolarHBondContact O-N 3.18Å; S897-K899 PolarHBondContact O-N 3.4Å; K899-I902 PolarHBondContact O-N 2.98Å; K899-R903 PolarHBondContact O-N 2.78Å; K899-E917 WeakPolarHBondContact CD-OE1 3.32Å; K899-E917 WeakPolarHBondContact CE-OE1 3.22Å; K899-E917 IonicContact NZ-OE1 3.64Å; K899-E917 PolarHBondContact NZ-OE1 3.44Å
900	F	75.2	Confident	74.8	Confident	3 Å²	3	69.6 Å²	69.6	1%	0.013	36%	0.362	C	S	.	.	H	α-helix	trans	-65.3	-41.4	178.4	-151	-63	0	0	0	110.9	Y852 P854 V896 S897 H898 I902 G904 L905 F913	Y852-F900 HydrophobicContact CD2-CD1 4.28Å; Y852-F900 HydrophobicContact CD2-CE1 4.13Å; Y852-F900 HydrophobicContact CE2-CB 4.36Å; Y852-F900 AromaticContact CE2-CD1 3.35Å; Y852-F900 HydrophobicContact CE2-CD1 3.35Å; Y852-F900 AromaticContact CE2-CE1 3.62Å; Y852-F900 HydrophobicContact CE2-CE1 3.62Å; Y852-F900 AromaticContact CE2-CG 3.88Å; Y852-F900 HydrophobicContact CE2-CG 3.88Å; Y852-F900 HydrophobicContact CE2-CZ 4.39Å; P854-F900 HydrophobicContact CG-CD2 4.12Å; V896-F900 WeakPolarHBondContact O-CB 3.32Å; V896-F900 PolarHBondContact O-N 2.79Å; S897-F900 WeakPolarHBondContact O-CB 3.48Å; S897-F900 PolarHBondContact O-N 3.02Å; S897-F900 VanDerWaalsContact O-N 3.09Å; H898-F900 VanDerWaalsContact C-N 3.29Å; H898-F900 PolarHBondContact O-N 3.24Å; F900-I902 PolarHBondContact O-N 3.44Å; F900-G904 PolarHBondContact O-N 3.27Å; F900-L905 HydrophobicContact CE1-CD2 3.6Å; F900-L905 HydrophobicContact CE1-CG 3.95Å; F900-L905 HydrophobicContact CZ-CD2 4.19Å; F900-F913 HydrophobicContact CB-CE1 4.37Å; F900-F913 HydrophobicContact CB-CZ 4.49Å; F900-F913 HydrophobicContact CD2-CB 4.33Å; F900-F913 AromaticContact CD2-CD1 3.27Å; F900-F913 HydrophobicContact CD2-CD1 3.27Å; F900-F913 HydrophobicContact CD2-CD2 4.34Å; F900-F913 AromaticContact CD2-CE1 3.51Å; F900-F913 HydrophobicContact CD2-CE1 3.51Å; F900-F913 AromaticContact CD2-CG 3.73Å; F900-F913 HydrophobicContact CD2-CG 3.73Å; F900-F913 HydrophobicContact CD2-CZ 4.13Å; F900-F913 HydrophobicContact CE2-CB 3.59Å; F900-F913 AromaticContact CE2-CD1 3.43Å; F900-F913 HydrophobicContact CE2-CD1 3.43Å; F900-F913 VanDerWaalsContact CE2-CD1 3.43Å; F900-F913 HydrophobicContact CE2-CD2 4.25Å; F900-F913 HydrophobicContact CE2-CE1 4.15Å; F900-F913 AromaticContact CE2-CG 3.48Å; F900-F913 HydrophobicContact CE2-CG 3.48Å; F900-F913 VanDerWaalsContact CE2-CG 3.48Å; F900-F913 HydrophobicContact CG-CD1 4.29Å; F900-F913 HydrophobicContact CG-CE1 4.19Å; F900-F913 HydrophobicContact CG-CZ 4.43Å; F900-F913 HydrophobicContact CZ-CB 4.14Å; F900-F913 HydrophobicContact CZ-CG 4.23Å
901	T	75.8	Confident	73.5	Confident	94 Å²	94	67.7 Å²	67.7	58%	0.577	36%	0.356	S	S	*	.	H	α-helix	trans	-63.6	-39.5	173.5	-43.3	0	0	0	0	112.4	S897 H898	S897-T901 PolarHBondContact O-N 3.3Å; S897-T901 PolarHBondContact O-OG1 3.46Å; H898-T901 PolarHBondContact O-N 3.4Å
902	I	69.9	Low	72.1	Confident	145 Å²	145	66.7 Å²	66.7	74%	0.744	35%	0.353	S	S	*	.	H	α-helix	trans	-71	-39.2	-177.6	-68.3	164.5	0	0	0	112.3	H898 K899 F900	H898-I902 WeakPolarHBondContact O-CD1 3.3Å; H898-I902 VanDerWaalsContact O-CG1 3.25Å; H898-I902 WeakPolarHBondContact O-CG1 3.19Å; H898-I902 PolarHBondContact O-N 3.36Å; H898-I902 VanDerWaalsContact O-N 3.08Å; K899-I902 PolarHBondContact O-N 2.98Å; F900-I902 PolarHBondContact O-N 3.44Å
903	R	62.5	Low	70.8	Confident	160 Å²	160	64 Å²	64	60%	0.604	34%	0.341	S	S	*	.	H	α-helix	trans	-80.3	-16.1	-177.6	-74.5	-175.5	173.2	-175.5	-2.1	113.7	K899 F913	K899-R903 PolarHBondContact O-N 2.78Å; R903-F913 HydrophobicContact CB-CE2 4.42Å
904	G	57.9	Low	69.6	Low	37 Å²	37	64.2 Å²	64.2	38%	0.381	34%	0.342	S	S	.	.			trans	72.2	149.3	-169.4	0	0	0	0	0	111.1	F900 P906	F900-G904 PolarHBondContact O-N 3.27Å; G904-P906 WeakPolarHBondContact O-CD 3.46Å; G904-P906 VanDerWaalsContact O-N 3.15Å
905	L	55.1	Low	68.4	Low	125 Å²	125	66 Å²	66	65%	0.654	35%	0.351	S	S	*	.			trans	-54	118.5	176.4	-80.8	142.4	0	0	0	109.4	F900	F900-L905 HydrophobicContact CE1-CD2 3.6Å; F900-L905 HydrophobicContact CE1-CG 3.95Å; F900-L905 HydrophobicContact CZ-CD2 4.19Å
906	P	50.6	Low	67.1	Low	45 Å²	45	66 Å²	66	29%	0.292	35%	0.352	S	S	.	.			trans	-59.2	143.2	162.5	26.7	-31.5	0	0	0	107.7	G904 N908 F913	G904-P906 WeakPolarHBondContact O-CD 3.46Å; G904-P906 VanDerWaalsContact O-N 3.15Å; P906-N908 PolarHBondContact O-N 3.1Å; P906-F913 HydrophobicContact CG-CB 4.19Å; P906-F913 HydrophobicContact CG-CD2 4.06Å
907	S	50.5	Low	65.9	Low	113 Å²	113	66.3 Å²	66.3	79%	0.79	35%	0.353	S	S	*	.	S	Bend	trans	-70.6	15.3	-158.1	62.2	0	0	0	0	116.1
908	N	53.2	Low	64.7	Low	127 Å²	127	68.2 Å²	68.2	68%	0.679	36%	0.359	S	S	*	.	S	Bend	trans	-168.7	130	165	-81.2	-36.4	0	0	0	108.9	P906	P906-N908 PolarHBondContact O-N 3.1Å
909	N	62.8	Low	63.7	Low	40 Å²	40	68.8 Å²	68.8	21%	0.214	36%	0.361	C	S	.	.			trans	71.2	118.9	169	-161.1	10.2	0	0	0	118.4	L911 D912	N909-L911 VanDerWaalsContact C-N 3.3Å; N909-L911 PolarHBondContact O-N 3.26Å; N909-L911 PolarHBondContact OD1-N 3.05Å; N909-D912 PolarHBondContact ND2-OD1 3.01Å
910	S	65.6	Low	62.8	Low	7 Å²	7	68 Å²	68	5%	0.049	36%	0.361	C	S	.	.	H	α-helix	trans	-70.1	-21.7	175.5	-65.4	0	0	0	0	113.9	A851	A851-S910 WeakPolarHBondContact O-CB 3.45Å; A851-S910 PolarHBondContact O-OG 3.37Å
911	L	68.8	Low	61.9	Low	17 Å²	17	69.5 Å²	69.5	9%	0.089	37%	0.369	C	S	.	.	H	α-helix	trans	-68.1	-44.6	176.2	-74	167.2	0	0	0	111.5	E822 F829 I853 N909 F913 L914 D915	E822-L911 HydrophobicContact CB-CD2 4.31Å; E822-L911 HydrophobicContact CG-CD2 3.78Å; F829-L911 HydrophobicContact CD2-CD1 3.6Å; F829-L911 HydrophobicContact CE2-CD1 3.44Å; F829-L911 VanDerWaalsContact CE2-CD1 3.44Å; F829-L911 HydrophobicContact CE2-CG 3.87Å; I853-L911 HydrophobicContact CD1-CD2 3.65Å; I853-L911 HydrophobicContact CD1-CG 3.75Å; N909-L911 VanDerWaalsContact C-N 3.3Å; N909-L911 PolarHBondContact O-N 3.26Å; N909-L911 PolarHBondContact OD1-N 3.05Å; L911-F913 PolarHBondContact O-N 2.82Å; L911-F913 VanDerWaalsContact O-N 3.09Å; L911-L914 WeakPolarHBondContact O-CB 3.49Å; L911-L914 PolarHBondContact O-N 2.71Å; L911-D915 PolarHBondContact O-N 3.06Å
912	D	65.4	Low	60.9	Low	71 Å²	71	70.2 Å²	70.2	38%	0.38	37%	0.366	S	S	.	.	H	α-helix	trans	-58.6	-29.2	-178.2	-58.9	8.1	0	0	0	112.2	N909 Q916	N909-D912 PolarHBondContact ND2-OD1 3.01Å; D912-Q916 VanDerWaalsContact O-CG 3.28Å; D912-Q916 WeakPolarHBondContact O-CG 3.38Å; D912-Q916 PolarHBondContact O-N 2.91Å
913	F	66	Low	59.9	Low	10 Å²	10	67.6 Å²	67.6	4%	0.044	36%	0.36	C	S	.	.	H	α-helix	trans	-71.2	-37.4	174.8	-176.4	-86	0	0	0	112.8	F900 R903 P906 L911 D915 Q916 E917	F900-F913 HydrophobicContact CB-CE1 4.37Å; F900-F913 HydrophobicContact CB-CZ 4.49Å; F900-F913 HydrophobicContact CD2-CB 4.33Å; F900-F913 AromaticContact CD2-CD1 3.27Å; F900-F913 HydrophobicContact CD2-CD1 3.27Å; F900-F913 HydrophobicContact CD2-CD2 4.34Å; F900-F913 AromaticContact CD2-CE1 3.51Å; F900-F913 HydrophobicContact CD2-CE1 3.51Å; F900-F913 AromaticContact CD2-CG 3.73Å; F900-F913 HydrophobicContact CD2-CG 3.73Å; F900-F913 HydrophobicContact CD2-CZ 4.13Å; F900-F913 HydrophobicContact CE2-CB 3.59Å; F900-F913 AromaticContact CE2-CD1 3.43Å; F900-F913 HydrophobicContact CE2-CD1 3.43Å; F900-F913 VanDerWaalsContact CE2-CD1 3.43Å; F900-F913 HydrophobicContact CE2-CD2 4.25Å; F900-F913 HydrophobicContact CE2-CE1 4.15Å; F900-F913 AromaticContact CE2-CG 3.48Å; F900-F913 HydrophobicContact CE2-CG 3.48Å; F900-F913 VanDerWaalsContact CE2-CG 3.48Å; F900-F913 HydrophobicContact CG-CD1 4.29Å; F900-F913 HydrophobicContact CG-CE1 4.19Å; F900-F913 HydrophobicContact CG-CZ 4.43Å; F900-F913 HydrophobicContact CZ-CB 4.14Å; F900-F913 HydrophobicContact CZ-CG 4.23Å; R903-F913 HydrophobicContact CB-CE2 4.42Å; P906-F913 HydrophobicContact CG-CB 4.19Å; P906-F913 HydrophobicContact CG-CD2 4.06Å; L911-F913 PolarHBondContact O-N 2.82Å; L911-F913 VanDerWaalsContact O-N 3.09Å; F913-D915 VanDerWaalsContact C-N 3.28Å; F913-D915 PolarHBondContact O-N 2.66Å; F913-Q916 PolarHBondContact O-N 2.73Å; F913-E917 HydrophobicContact CE1-CB 4.41Å; F913-E917 WeakPolarHBondContact O-CB 3.48Å; F913-E917 PolarHBondContact O-N 3.11Å
914	L	67.6	Low	59	Low	5 Å²	5	66.9 Å²	66.9	3%	0.026	36%	0.364	C	S	.	.	H	α-helix	trans	-65.2	-36.5	177.6	-66.6	172.4	0	0	0	111	I853 W893 V896 L911 Y918	I853-L914 HydrophobicContact CD1-CD1 4.29Å; I853-L914 HydrophobicContact CG2-CD1 3.98Å; W893-L914 HydrophobicContact CH2-CD1 4.42Å; W893-L914 HydrophobicContact CH2-CD2 4.38Å; W893-L914 HydrophobicContact CZ3-CD2 3.98Å; V896-L914 HydrophobicContact CG1-CD2 4.05Å; L911-L914 WeakPolarHBondContact O-CB 3.49Å; L911-L914 PolarHBondContact O-N 2.71Å; L914-Y918 PolarHBondContact O-N 2.98Å; L914-Y918 VanDerWaalsContact O-N 3.15Å
915	D	65.8	Low	58	Low	61 Å²	61	68 Å²	68	33%	0.326	38%	0.375	S	S	.	.	H	α-helix	trans	-68.5	-49.5	175	-67.3	-27.2	0	0	0	111.4	L911 F913 E917 Y918 E919	L911-D915 PolarHBondContact O-N 3.06Å; F913-D915 VanDerWaalsContact C-N 3.28Å; F913-D915 PolarHBondContact O-N 2.66Å; D915-E917 PolarHBondContact O-N 2.78Å; D915-Y918 VanDerWaalsContact O-CB 3.31Å; D915-Y918 WeakPolarHBondContact O-CB 3.33Å; D915-Y918 PolarHBondContact O-N 2.97Å; D915-Y918 VanDerWaalsContact O-N 3.1Å; D915-E919 PolarHBondContact O-N 2.71Å; D915-E919 VanDerWaalsContact O-N 3.07Å
916	Q	61	Low	57.6	Low	104 Å²	104	64.9 Å²	64.9	49%	0.486	37%	0.368	S	S	.	.	H	α-helix	trans	-61.9	-39.2	177.3	-73	173.4	19.4	0	0	113.1	D912 F913 Y918 L920	D912-Q916 VanDerWaalsContact O-CG 3.28Å; D912-Q916 WeakPolarHBondContact O-CG 3.38Å; D912-Q916 PolarHBondContact O-N 2.91Å; F913-Q916 PolarHBondContact O-N 2.73Å; Q916-Y918 VanDerWaalsContact C-N 3.31Å; Q916-L920 WeakPolarHBondContact O-CB 3.36Å; Q916-L920 WeakPolarHBondContact O-CD1 3.39Å; Q916-L920 WeakPolarHBondContact O-CG 3.12Å; Q916-L920 PolarHBondContact O-N 3.24Å
917	E	62.8	Low	57.3	Low	14 Å²	14	67.3 Å²	67.3	7%	0.065	37%	0.374	C	S	.	.	H	α-helix	trans	-66.2	-35.5	175.7	-173.9	174.8	-164.1	0	0	111.4	K899 F913 D915 L920 L921	K899-E917 WeakPolarHBondContact CD-OE1 3.32Å; K899-E917 WeakPolarHBondContact CE-OE1 3.22Å; K899-E917 IonicContact NZ-OE1 3.64Å; K899-E917 PolarHBondContact NZ-OE1 3.44Å; F913-E917 HydrophobicContact CE1-CB 4.41Å; F913-E917 WeakPolarHBondContact O-CB 3.48Å; F913-E917 PolarHBondContact O-N 3.11Å; D915-E917 PolarHBondContact O-N 2.78Å; E917-L920 PolarHBondContact O-N 3.37Å; E917-L921 HydrophobicContact CG-CD1 3.89Å; E917-L921 HydrophobicContact CG-CG 4.31Å; E917-L921 WeakPolarHBondContact O-CB 3.13Å; E917-L921 VanDerWaalsContact O-CG 3.3Å; E917-L921 WeakPolarHBondContact O-CG 3.34Å; E917-L921 PolarHBondContact O-N 3.09Å
918	Y	60.8	Low	56.7	Low	53 Å²	53	65.3 Å²	65.3	21%	0.208	37%	0.37	C	S	.	.	H	α-helix	trans	-62.6	-51	175.1	-175.9	-127.9	0	0	0	112.2	K815 R818 L914 D915 Q916 L920 L921 Q922	K815-Y918 WeakPolarHBondContact CE-OH 3.17Å; R818-Y918 VanDerWaalsContact NH1-CG 3.34Å; R818-Y918 VanDerWaalsContact NH2-CE2 3.25Å; L914-Y918 PolarHBondContact O-N 2.98Å; L914-Y918 VanDerWaalsContact O-N 3.15Å; D915-Y918 VanDerWaalsContact O-CB 3.31Å; D915-Y918 WeakPolarHBondContact O-CB 3.33Å; D915-Y918 PolarHBondContact O-N 2.97Å; D915-Y918 VanDerWaalsContact O-N 3.1Å; Q916-Y918 VanDerWaalsContact C-N 3.31Å; Y918-L920 PolarHBondContact O-N 3.1Å; Y918-L921 PolarHBondContact O-N 3.29Å; Y918-L921 VanDerWaalsContact O-N 3.1Å; Y918-Q922 VanDerWaalsContact O-CB 3.31Å; Y918-Q922 WeakPolarHBondContact O-CB 3.27Å; Y918-Q922 PolarHBondContact O-N 3.23Å
919	E	61.9	Low	55.7	Low	127 Å²	127	65.1 Å²	65.1	59%	0.593	38%	0.379	S	S	*	.	H	α-helix	trans	-59.4	-37.4	179	-67.9	178	173.2	0	0	111.2	D915 S923	D915-E919 PolarHBondContact O-N 2.71Å; D915-E919 VanDerWaalsContact O-N 3.07Å; E919-S923 VanDerWaalsContact O-CB 3.27Å; E919-S923 WeakPolarHBondContact O-CB 3.44Å; E919-S923 PolarHBondContact O-N 3.21Å; E919-S923 PolarHBondContact O-OG 3.2Å
920	L	59.4	Low	54.4	Low	69 Å²	69	69.5 Å²	69.5	36%	0.361	40%	0.403	S	S	.	.	H	α-helix	trans	-66.5	-41.6	173.8	-80.5	164.6	0	0	0	113.2	Q916 E917 Y918 S923 Q924	Q916-L920 WeakPolarHBondContact O-CB 3.36Å; Q916-L920 WeakPolarHBondContact O-CD1 3.39Å; Q916-L920 WeakPolarHBondContact O-CG 3.12Å; Q916-L920 PolarHBondContact O-N 3.24Å; E917-L920 PolarHBondContact O-N 3.37Å; Y918-L920 PolarHBondContact O-N 3.1Å; L920-S923 WeakPolarHBondContact CA-OG 3.37Å; L920-S923 PolarHBondContact O-OG 3.34Å; L920-Q924 WeakPolarHBondContact O-CB 3.41Å; L920-Q924 VanDerWaalsContact O-CG 3.23Å; L920-Q924 WeakPolarHBondContact O-CG 3.32Å; L920-Q924 PolarHBondContact O-N 3.36Å
921	L	57	Low	52.8	Low	35 Å²	35	77.2 Å²	77.2	18%	0.183	44%	0.443	C	S	.	.	H	α-helix	trans	-73.1	-33.2	177.9	-71.6	166.9	0	0	0	112	E917 Y918 A926 F927	E917-L921 HydrophobicContact CG-CD1 3.89Å; E917-L921 HydrophobicContact CG-CG 4.31Å; E917-L921 WeakPolarHBondContact O-CB 3.13Å; E917-L921 VanDerWaalsContact O-CG 3.3Å; E917-L921 WeakPolarHBondContact O-CG 3.34Å; E917-L921 PolarHBondContact O-N 3.09Å; Y918-L921 PolarHBondContact O-N 3.29Å; Y918-L921 VanDerWaalsContact O-N 3.1Å; L921-A926 WeakPolarHBondContact O-CB 3.46Å; L921-A926 PolarHBondContact O-N 2.74Å; L921-F927 HydrophobicContact CB-CD2 4.46Å; L921-F927 HydrophobicContact CB-CE2 3.68Å; L921-F927 HydrophobicContact CD1-CE2 4.44Å
922	Q	55.1	Low	51.3	Low	110 Å²	110	83.5 Å²	83.5	51%	0.514	47%	0.472	S	S	.	.	H	α-helix	trans	-69.7	-43.1	175.4	-165.7	172.4	7.6	0	0	111.1	Y918 Q924 G925	Y918-Q922 VanDerWaalsContact O-CB 3.31Å; Y918-Q922 WeakPolarHBondContact O-CB 3.27Å; Y918-Q922 PolarHBondContact O-N 3.23Å; Q922-Q924 VanDerWaalsContact C-N 3.28Å; Q922-Q924 PolarHBondContact O-N 3.47Å; Q922-G925 PolarHBondContact O-N 2.88Å; Q922-G925 VanDerWaalsContact O-N 3.16Å
923	S	47.2	Very low	49.9	Very low	90 Å²	90	85.6 Å²	85.6	63%	0.629	49%	0.491	S	S	*	.	H	α-helix	trans	-68.2	-22.7	175.6	56.6	0	0	0	0	114	E919 L920 G925	E919-S923 VanDerWaalsContact O-CB 3.27Å; E919-S923 WeakPolarHBondContact O-CB 3.44Å; E919-S923 PolarHBondContact O-N 3.21Å; E919-S923 PolarHBondContact O-OG 3.2Å; L920-S923 WeakPolarHBondContact CA-OG 3.37Å; L920-S923 PolarHBondContact O-OG 3.34Å; S923-G925 VanDerWaalsContact C-N 3.29Å
924	Q	45.2	Very low	48.6	Very low	145 Å²	145	87.6 Å²	87.6	68%	0.678	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	3.2	173.5	-72.3	175.8	16.3	0	0	114	L920 Q922 A926	L920-Q924 WeakPolarHBondContact O-CB 3.41Å; L920-Q924 VanDerWaalsContact O-CG 3.23Å; L920-Q924 WeakPolarHBondContact O-CG 3.32Å; L920-Q924 PolarHBondContact O-N 3.36Å; Q922-Q924 VanDerWaalsContact C-N 3.28Å; Q922-Q924 PolarHBondContact O-N 3.47Å; Q924-A926 PolarHBondContact O-N 3.41Å
925	G	37.1	Very low	47.1	Very low	59 Å²	59	91.9 Å²	91.9	61%	0.608	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	22.9	178.5	0	0	0	0	0	113.7	Q922 S923 F927	Q922-G925 PolarHBondContact O-N 2.88Å; Q922-G925 VanDerWaalsContact O-N 3.16Å; S923-G925 VanDerWaalsContact C-N 3.29Å; G925-F927 PolarHBondContact O-N 3.02Å
926	A	46.8	Very low	45.9	Very low	61 Å²	61	92.7 Å²	92.7	50%	0.504	55%	0.548	S	S	.	.			trans	-71.3	-13.4	-177.5	0	0	0	0	0	113.3	L921 Q924	L921-A926 WeakPolarHBondContact O-CB 3.46Å; L921-A926 PolarHBondContact O-N 2.74Å; Q924-A926 PolarHBondContact O-N 3.41Å
927	F	44.3	Very low	44.5	Very low	96 Å²	96	91.6 Å²	91.6	42%	0.421	55%	0.55	S	S	.	*	S	Bend	trans	-124.3	125.8	178.3	-55.2	-69.5	0	0	0	108.4	L921 G925	L921-F927 HydrophobicContact CB-CD2 4.46Å; L921-F927 HydrophobicContact CB-CE2 3.68Å; L921-F927 HydrophobicContact CD1-CE2 4.44Å; G925-F927 PolarHBondContact O-N 3.02Å
928	G	38	Very low	42.9	Very low	70 Å²	70	99 Å²	99	72%	0.722	59%	0.59	S	S	*	*			trans	-56.4	157.2	178.2	0	0	0	0	0	112.5	D930	G928-D930 PolarHBondContact O-N 3.25Å
929	S	31.8	Very low	41.4	Very low	123 Å²	123	103.1 Å²	103.1	86%	0.86	62%	0.615	S	S	*	*			trans	-68.7	93.7	179.4	55.1	0	0	0	0	111.2
930	D	34.9	Very low	40	Very low	133 Å²	133	105 Å²	105	71%	0.711	63%	0.629	S	S	*	*			trans	-130.5	116	168.8	-81.7	-31.5	0	0	0	111	G928 H932	G928-D930 PolarHBondContact O-N 3.25Å; D930-H932 VanDerWaalsContact C-N 3.32Å; D930-H932 PolarHBondContact O-N 3.16Å
931	D	31.1	Very low	38.5	Very low	169 Å²	169	107.7 Å²	107.7	90%	0.904	65%	0.649	S	S	*	*			trans	-75.9	64.3	-179.6	-88.6	-25	0	0	0	112.5
932	H	37.6	Very low	37.3	Very low	148 Å²	148	115.1 Å²	115.1	69%	0.685	68%	0.683	S	S	*	*			trans	-117.3	96.8	169	-70.2	-47.9	0	0	0	110.8	D930	D930-H932 VanDerWaalsContact C-N 3.32Å; D930-H932 PolarHBondContact O-N 3.16Å
933	C	37.3	Very low	36	Very low	115 Å²	115	113.5 Å²	113.5	78%	0.777	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-75.9	128.5	170.5	-155.3	0	0	0	0	109.2
934	L	38.7	Very low	35	Very low	53 Å²	53	112.8 Å²	112.8	28%	0.277	70%	0.703	S	S	.	*	P	Polyproline II helix	trans	-76.7	122.2	175.3	-75.5	156.1	0	0	0	108.4	R606 K819 G936	R606-L934 HydrophobicContact CB-CD2 4.4Å; K819-L934 HydrophobicContact CG-CD1 4.27Å; L934-G936 PolarHBondContact O-N 3.19Å
935	N	34.4	Very low	34.3	Very low	94 Å²	94	114.1 Å²	114.1	50%	0.503	71%	0.713	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.3	125.2	174.5	-81.6	-29.7	0	0	0	109.7
936	G	42	Very low	33.8	Very low	79 Å²	79	120.1 Å²	120.1	81%	0.814	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	145.6	-6.9	-175.9	0	0	0	0	0	114.8	L934	L934-G936 PolarHBondContact O-N 3.19Å
937	C	31.6	Very low	33.6	Very low	80 Å²	80	123 Å²	123	54%	0.541	74%	0.739	S	S	.	*			trans	-98.6	109.9	171.2	-75.2	0	0	0	0	110	D939	C937-D939 PolarHBondContact O-N 3.36Å
938	L	28.2	Very low	32.8	Very low	171 Å²	171	123 Å²	123	90%	0.895	76%	0.756	S	S	*	*			trans	-71.4	109.6	152.6	-75.2	165.4	0	0	0	106.4	D940	L938-D940 PolarHBondContact O-N 3.3Å
939	D	29.8	Very low	32.3	Very low	139 Å²	139	124.6 Å²	124.6	74%	0.743	76%	0.756	S	S	*	*			trans	-73.9	114.1	160.7	-87	-22.3	0	0	0	107.5	C937 T941	C937-D939 PolarHBondContact O-N 3.36Å; D939-T941 PolarHBondContact O-N 2.95Å
940	D	32.3	Very low	32.4	Very low	165 Å²	165	125.9 Å²	125.9	88%	0.882	75%	0.753	S	S	*	*			trans	-66.5	82.5	164.5	-83.3	-37.8	0	0	0	108.8	L938 E942	L938-D940 PolarHBondContact O-N 3.3Å; D940-E942 PolarHBondContact O-N 3.17Å
941	T	28.9	Very low	32.4	Very low	126 Å²	126	130.8 Å²	130.8	77%	0.773	78%	0.78	S	S	*	*			trans	-76.3	111.2	162.4	46.7	0	0	0	0	108.9	D939 G943	D939-T941 PolarHBondContact O-N 2.95Å; T941-G943 PolarHBondContact O-N 3.22Å; T941-G943 VanDerWaalsContact O-N 3.15Å
942	E	31.7	Very low	32.4	Very low	192 Å²	192	128.9 Å²	128.9	90%	0.897	77%	0.773	S	S	*	*			trans	-39.6	112.1	173.1	-67.7	-176.1	144	0	0	112.7	D940 G944	D940-E942 PolarHBondContact O-N 3.17Å; E942-G944 PolarHBondContact O-N 3.01Å
943	G	27.7	Very low	32.2	Very low	76 Å²	76	127.8 Å²	127.8	78%	0.784	78%	0.778	S	S	*	*			trans	-70.3	92.4	166.8	0	0	0	0	0	110.6	T941 L945	T941-G943 PolarHBondContact O-N 3.22Å; T941-G943 VanDerWaalsContact O-N 3.15Å; G943-L945 PolarHBondContact O-N 2.76Å
944	G	25.9	Very low	31.9	Very low	75 Å²	75	128.6 Å²	128.6	77%	0.773	78%	0.778	S	S	*	*			trans	-60.4	114.4	167.5	0	0	0	0	0	111.4	E942 H946	E942-G944 PolarHBondContact O-N 3.01Å; G944-H946 PolarHBondContact O-N 2.86Å
945	L	30.2	Very low	31.5	Very low	172 Å²	172	133 Å²	133	90%	0.901	81%	0.808	S	S	*	*			trans	-62.1	117.4	166.9	-87.5	141.1	0	0	0	110.6	G943	G943-L945 PolarHBondContact O-N 2.76Å
946	H	27.2	Very low	31.3	Very low	186 Å²	186	135.4 Å²	135.4	86%	0.861	83%	0.827	S	S	*	*			trans	-135.9	135.2	149.5	-97.7	-64.8	0	0	0	110.5	G944	G944-H946 PolarHBondContact O-N 2.86Å
947	P	42	Very low	30.6	Very low	122 Å²	122	139.2 Å²	139.2	79%	0.792	83%	0.827	S	S	*	*			trans	-90.9	146.9	-170.5	36	-32.2	0	0	0	111.5
948	A	26.8	Very low	30.5	Very low	94 Å²	94	143.4 Å²	143.4	78%	0.777	85%	0.848	S	S	*	*			trans	-145.8	103.5	164.1	0	0	0	0	0	111.4
949	S	28.3	Very low	30.7	Very low	104 Å²	104	141.3 Å²	141.3	73%	0.727	84%	0.844	S	S	*	*			trans	8.8	138.4	134.8	53.1	0	0	0	0	120.6
950	N	34.5	Very low	30.8	Very low	150 Å²	150	141.5 Å²	141.5	80%	0.802	85%	0.853	S	S	*	*			trans	27.7	116.8	139.4	-70.1	5.7	0	0	0	118.3
951	D	33.9	Very low	30.6	Very low	236 Å²	236	139.4 Å²	139.4	100%	1.262	85%	0.85	S	S	*	*				-162	0	89.2	-92.6	-23.8	0	0	0	110.6

Retrieved 951 of 951 residues in 1199.9 ms (Link to these results)

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