A0A087X876_POEFO Loading...

Protein phosphatase 4, regulatory subunit 4

AlphaFold DB , UniProt , Accession A0A087X876, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 905 aa.

						>A0A087X876_POEFO|A0A087X876
MFPGRMTLSPPGPPSGPPEELQELAFIERPIRRSLKTAEEIDQLTVDEDLNDVERAVYLLSVGQEVQRASVISNLPSLVRQNPAETFRRVVPKVREVLNGAGAEIQLAAATSFLTILQDDIILIHTHTYSILKTVLLHLNHRDTVVSSAWLETLLSAINALPKETIKQEVLNPLLYQSQLSHSLQARLAACRILGKASCKFDSLIVKKELLPLARSLSRDTESEVRICMCRQLESMARAIGVEDTRTELLPELLELAGDEESSVRLAAFDSIISLMEMMDGDDRLHLLVPLVMSACDASSQVDEGVMVSLSFQFGKLCSGLAGSLSEEQKRLLLQKFQVLCITGLPTEENQMDVGESTLIRCNCCYNLPAMVAFIDPAHFLCDIHPSFSGLCSDPEVSVRRSVAASFHQVVKLLESNVHVVHKELLLLLQDSALEVLDALLNHLDETLELVLSRGDNLILDNKLPELLSALLSAEQKVGSSLRWRLHEKLLHRYSCLSRLLPGELLHQTFSARIFIILTTNKVLPVQKEAARTFCTFLRYNRKQEQRQEMMERLIQDLAQGRSYWNRLRFLDVCEIATEIFSRKYFNKHFLIPALELVHDPVANVRYKLCQLLPRLRSSLRLPADKLLLQKLDFCVQKFLCREKDKDVVAMIRKTVLELDKLDLSEPFHKRRDWDLLDQKKEKEEMLLLEMEQLERQQSDGKLNSDKHMERKRRDSKTSLSSAKSMSVSSSTGSSSTGKETRKAKLSRSRSLSSQPTSSKPVNSDRPLKVKDLSGSSGLGKSTRDDSVRTAHFTLTTQSTSSMPVLIRSKTTSLLDQASLLEQREHRKSTLDHRTGNRDQRNHMMEHRTSSLEEREHRTSTLDHRDHRTSTLGQRSKTMERGSGMKDSQSRKLSMIRKSNSLQSE
					

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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	29.3	Very low	30.6	Very low	247 Å²	247	157.8 Å²	157.8	100%	1.217	87%	0.871	S	S	*	*				0	146.7	0	-77	166.4	158.5	0	0	108.3
2	F	30.9	Very low	30.8	Very low	205 Å²	205	149.9 Å²	149.9	90%	0.899	85%	0.852	S	S	*	*			trans	-84.9	157.2	164.3	-78.8	-85.1	0	0	0	109.6
3	P	43.3	Very low	31.1	Very low	129 Å²	129	148.4 Å²	148.4	84%	0.838	85%	0.852	S	S	*	*				-127.5	177.2	85.8	38.4	-29.8	0	0	0	112.3
4	G	28.6	Very low	31.3	Very low	75 Å²	75	147.3 Å²	147.3	77%	0.773	85%	0.853	S	S	*	*			cis	-169.3	169.5	-1.3	0	0	0	0	0	110.8
5	R	28.2	Very low	31.7	Very low	247 Å²	247	145.9 Å²	145.9	93%	0.932	85%	0.854	S	S	*	*			trans	-98.6	151.6	-174	-75.6	177.2	166	-178.4	-4.8	114.1
6	M	26.2	Very low	31.8	Very low	178 Å²	178	140.9 Å²	140.9	88%	0.877	84%	0.844	S	S	*	*			trans	-158.1	107.7	134.8	-103	176.6	180	0	0	108.5
7	T	27.3	Very low	31.9	Very low	119 Å²	119	139.9 Å²	139.9	73%	0.73	84%	0.841	S	S	*	*				73.8	114.8	91	56.6	0	0	0	0	116.4
8	L	28.2	Very low	31.9	Very low	178 Å²	178	138.6 Å²	138.6	93%	0.932	84%	0.837	S	S	*	*			trans	-149.3	157.7	150	-100.3	176.2	0	0	0	109.4
9	S	27.7	Very low	32.1	Very low	111 Å²	111	141 Å²	141	78%	0.776	84%	0.838	S	S	*	*			trans	-119.8	166.5	-171.3	-64.6	0	0	0	0	111.2
10	P	33.6	Very low	32.4	Very low	120 Å²	120	143.7 Å²	143.7	78%	0.779	84%	0.841	S	S	*	*			trans	-82.4	153.6	-163	33	-36	0	0	0	114.5
11	P	33.4	Very low	32.5	Very low	127 Å²	127	143.9 Å²	143.9	83%	0.825	84%	0.838	S	S	*	*			trans	-82.3	150.4	172.9	34	-34.4	0	0	0	112.8
12	G	33.3	Very low	32.7	Very low	63 Å²	63	140.2 Å²	140.2	65%	0.649	82%	0.818	S	S	*	*			trans	-84	178.3	167.8	0	0	0	0	0	113.3
13	P	33.9	Very low	33.1	Very low	130 Å²	130	139.2 Å²	139.2	84%	0.844	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-80.3	138.1	-172	31.7	-34.9	0	0	0	113.4
14	P	34.7	Very low	32.8	Very low	133 Å²	133	141.4 Å²	141.4	86%	0.864	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-84	144.6	166.5	33.2	-32.2	0	0	0	111.5
15	S	37.2	Very low	33	Very low	126 Å²	126	141.2 Å²	141.2	88%	0.881	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-103.6	124.6	176.4	55.5	0	0	0	0	111.8
16	G	33.5	Very low	33.3	Very low	66 Å²	66	135.9 Å²	135.9	68%	0.68	80%	0.795	S	S	*	*			trans	-165.9	156.8	174.5	0	0	0	0	0	111.8
17	P	33.7	Very low	34.2	Very low	124 Å²	124	135 Å²	135	81%	0.805	79%	0.792	S	S	*	*			trans	-75.4	142	-175.9	30.5	-34.6	0	0	0	112.6
18	P	31.9	Very low	34.7	Very low	117 Å²	117	138.3 Å²	138.3	76%	0.76	80%	0.799	S	S	*	*			trans	-102.1	96.7	-175	36.6	-31.6	0	0	0	113.7
19	E	35.1	Very low	35	Very low	184 Å²	184	137.4 Å²	137.4	86%	0.86	78%	0.783	S	S	*	*			trans	-116.8	-16.6	170.3	-71.2	-168.8	131.6	0	0	114.8
20	E	37.3	Very low	35.5	Very low	194 Å²	194	137.5 Å²	137.5	91%	0.907	78%	0.781	S	S	*	*	S	Bend	trans	-107.7	45.1	-177.5	-63.2	-168.5	148.2	0	0	114.3
21	L	34.2	Very low	36	Very low	149 Å²	149	139.9 Å²	139.9	78%	0.78	79%	0.786	S	S	*	*			trans	-135.4	24.4	177.1	-98.8	174.8	0	0	0	114.6
22	Q	33.6	Very low	36.4	Very low	170 Å²	170	143.7 Å²	143.7	79%	0.794	78%	0.784	S	S	*	*			trans	-97.9	-4.7	-169.1	-153	162.7	65.3	0	0	116.3
23	E	39.8	Very low	37.1	Very low	183 Å²	183	152.4 Å²	152.4	86%	0.855	80%	0.797	S	S	*	*	S	Bend	trans	-96.7	-12.4	-176.1	-66.9	-156.7	129.6	0	0	116.4
24	L	37.8	Very low	37.9	Very low	175 Å²	175	151.4 Å²	151.4	92%	0.916	79%	0.793	S	S	*	*	S	Bend	trans	-113.8	13.4	-178.6	-70.9	175.3	0	0	0	114.9
25	A	33.3	Very low	38.9	Very low	71 Å²	71	151.7 Å²	151.7	59%	0.587	79%	0.787	S	S	*	*			trans	-112.8	40.7	177.5	0	0	0	0	0	112.7
26	F	33.9	Very low	40.3	Very low	136 Å²	136	150.8 Å²	150.8	60%	0.596	77%	0.767	S	S	*	*			trans	-111.7	8.5	-175	-125.5	-80.6	0	0	0	115.2
27	I	44.4	Very low	42.2	Very low	158 Å²	158	150.7 Å²	150.7	81%	0.81	75%	0.754	S	S	*	*	S	Bend	trans	-102.7	142.8	166.5	-53.3	179.3	0	0	0	107
28	E	38.3	Very low	43.9	Very low	189 Å²	189	148.1 Å²	148.1	88%	0.883	74%	0.743	S	S	*	*			trans	68.6	38.7	-173.2	-51.5	-164.1	165	0	0	116.6
29	R	34.5	Very low	45.5	Very low	159 Å²	159	149.2 Å²	149.2	60%	0.6	74%	0.738	S	S	*	*			trans	-79.4	136.4	146.6	-75.2	-176.4	174.8	178.3	-0.4	109.4
30	P	37.4	Very low	47.2	Very low	113 Å²	113	144.4 Å²	144.4	73%	0.734	72%	0.715	S	S	*	*			trans	-59.4	142.4	178	-25.3	34.4	0	0	0	112.7	R32	P30-R32 PolarHBondContact O-N 3.34Å
31	I	43.7	Very low	48.7	Very low	170 Å²	170	139.1 Å²	139.1	87%	0.872	69%	0.692	S	S	*	*	S	Bend	trans	-74.6	68.3	178.8	-49.5	173.4	0	0	0	109.7
32	R	43.4	Very low	50.4	Low	207 Å²	207	137.6 Å²	137.6	78%	0.781	69%	0.685	S	S	*	*			trans	-140.7	32.2	-179.5	-70	-165.7	173.2	-171	-2.3	113.3	P30	P30-R32 PolarHBondContact O-N 3.34Å
33	R	47.1	Very low	51.9	Low	246 Å²	246	135.9 Å²	135.9	93%	0.928	68%	0.677	S	S	*	*	S	Bend	trans	-144.5	108.8	160.7	-71	-173.3	-179.6	-178.5	-0.5	107.4
34	S	50.5	Low	53.3	Low	109 Å²	109	128.6 Å²	128.6	76%	0.762	64%	0.644	S	S	*	*			cis	-109.3	132.6	-6.2	41.5	0	0	0	0	111.1
35	L	57.1	Low	55.1	Low	140 Å²	140	124.2 Å²	124.2	73%	0.733	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-81	134.7	148.5	-72.8	172.5	0	0	0	106
36	K	64.7	Low	57.3	Low	106 Å²	106	122.3 Å²	122.3	46%	0.461	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-64.8	145.1	176.4	-69.8	-176.5	177.7	179.9	0	109.8	E40 I41 L44	K36-E40 WeakPolarHBondContact CA-OE2 3.12Å; K36-E40 HydrophobicContact CB-CB 3.88Å; K36-E40 WeakPolarHBondContact CB-OE2 3.13Å; K36-E40 HydrophobicContact CG-CB 4.46Å; K36-I41 HydrophobicContact CB-CD1 4.43Å; K36-I41 HydrophobicContact CB-CG1 3.85Å; K36-L44 HydrophobicContact CD-CD1 3.68Å
37	T	75.1	Confident	59.4	Low	65 Å²	65	120.1 Å²	120.1	40%	0.399	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-63.9	162.9	175.5	73.4	0	0	0	0	110.3	E39 E40 I41	T37-E39 PolarHBondContact O-N 2.72Å; T37-E39 PolarHBondContact OG1-N 2.81Å; T37-E40 PolarHBondContact N-OE2 2.72Å; T37-E40 PolarHBondContact O-N 2.59Å; T37-E40 VanDerWaalsContact O-N 3.16Å; T37-E40 WeakPolarHBondContact OG1-CG 3.4Å; T37-E40 PolarHBondContact OG1-N 2.88Å; T37-I41 VanDerWaalsContact O-CG1 3.29Å; T37-I41 WeakPolarHBondContact O-CG1 3.38Å; T37-I41 PolarHBondContact O-N 3.28Å
38	A	67.9	Low	61.1	Low	70 Å²	70	121.2 Å²	121.2	58%	0.579	60%	0.602	S	S	*	*	H	α-helix	trans	-55.8	-40.9	172.9	0	0	0	0	0	111	I41 D42	A38-I41 PolarHBondContact O-N 2.96Å; A38-D42 WeakPolarHBondContact O-CB 3.43Å; A38-D42 VanDerWaalsContact O-CG 3.26Å; A38-D42 PolarHBondContact O-N 2.91Å
39	E	67.3	Low	63.3	Low	140 Å²	140	119.6 Å²	119.6	65%	0.654	60%	0.599	S	S	*	*	H	α-helix	trans	-65.4	-38.6	176.9	-57.8	166.6	155.5	0	0	112.8	T37 I41 Q43	T37-E39 PolarHBondContact O-N 2.72Å; T37-E39 PolarHBondContact OG1-N 2.81Å; E39-I41 VanDerWaalsContact C-N 3.34Å; E39-Q43 VanDerWaalsContact O-CB 3.29Å; E39-Q43 WeakPolarHBondContact O-CB 3.25Å; E39-Q43 WeakPolarHBondContact O-CG 3.06Å; E39-Q43 PolarHBondContact O-N 3.19Å; E39-Q43 PolarHBondContact O-NE2 2.82Å
40	E	69.2	Low	65.8	Low	82 Å²	82	114 Å²	114	38%	0.383	58%	0.581	S	S	.	*	H	α-helix	trans	-70.8	-28.5	173.6	-73.7	176.6	149.8	0	0	112.5	K36 T37 L44	K36-E40 WeakPolarHBondContact CA-OE2 3.12Å; K36-E40 HydrophobicContact CB-CB 3.88Å; K36-E40 WeakPolarHBondContact CB-OE2 3.13Å; K36-E40 HydrophobicContact CG-CB 4.46Å; T37-E40 PolarHBondContact N-OE2 2.72Å; T37-E40 PolarHBondContact O-N 2.59Å; T37-E40 VanDerWaalsContact O-N 3.16Å; T37-E40 WeakPolarHBondContact OG1-CG 3.4Å; T37-E40 PolarHBondContact OG1-N 2.88Å; E40-L44 WeakPolarHBondContact O-CB 3.38Å; E40-L44 WeakPolarHBondContact O-CD1 3.37Å; E40-L44 VanDerWaalsContact O-CG 3.28Å; E40-L44 WeakPolarHBondContact O-CG 3.33Å; E40-L44 PolarHBondContact O-N 2.66Å
41	I	70	Confident	68.4	Low	83 Å²	83	112.4 Å²	112.4	43%	0.426	57%	0.566	S	S	.	*	H	α-helix	trans	-74.1	-45.6	173.6	-69.8	166.5	0	0	0	109.7	K36 T37 A38 E39 Q43 L44 T45	K36-I41 HydrophobicContact CB-CD1 4.43Å; K36-I41 HydrophobicContact CB-CG1 3.85Å; T37-I41 VanDerWaalsContact O-CG1 3.29Å; T37-I41 WeakPolarHBondContact O-CG1 3.38Å; T37-I41 PolarHBondContact O-N 3.28Å; A38-I41 PolarHBondContact O-N 2.96Å; E39-I41 VanDerWaalsContact C-N 3.34Å; I41-Q43 PolarHBondContact O-N 3.46Å; I41-L44 CarbonylContact O-C 3.58Å; I41-L44 PolarHBondContact O-N 2.65Å; I41-L44 VanDerWaalsContact O-N 3.08Å; I41-T45 WeakPolarHBondContact O-CB 3.45Å; I41-T45 PolarHBondContact O-N 3.08Å; I41-T45 PolarHBondContact O-OG1 2.76Å
42	D	68.3	Low	70.6	Confident	118 Å²	118	107.9 Å²	107.9	63%	0.631	54%	0.544	S	S	*	.	H	α-helix	trans	-63.5	-40.3	177	-68.6	-16.3	0	0	0	111.1	A38 L44 T45	A38-D42 WeakPolarHBondContact O-CB 3.43Å; A38-D42 VanDerWaalsContact O-CG 3.26Å; A38-D42 PolarHBondContact O-N 2.91Å; D42-L44 PolarHBondContact O-N 2.7Å; D42-T45 PolarHBondContact O-N 2.64Å
43	Q	65.3	Low	73	Confident	133 Å²	133	98.6 Å²	98.6	62%	0.621	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.5	173.3	-76.6	171.8	44	0	0	114.5	E39 I41	E39-Q43 VanDerWaalsContact O-CB 3.29Å; E39-Q43 WeakPolarHBondContact O-CB 3.25Å; E39-Q43 WeakPolarHBondContact O-CG 3.06Å; E39-Q43 PolarHBondContact O-N 3.19Å; E39-Q43 PolarHBondContact O-NE2 2.82Å; I41-Q43 PolarHBondContact O-N 3.46Å
44	L	69.8	Low	75.1	Confident	31 Å²	31	89.7 Å²	89.7	16%	0.162	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-15.3	-179.9	-76	173.9	0	0	0	113.8	K36 E40 I41 D42 V46 Q64	K36-L44 HydrophobicContact CD-CD1 3.68Å; E40-L44 WeakPolarHBondContact O-CB 3.38Å; E40-L44 WeakPolarHBondContact O-CD1 3.37Å; E40-L44 VanDerWaalsContact O-CG 3.28Å; E40-L44 WeakPolarHBondContact O-CG 3.33Å; E40-L44 PolarHBondContact O-N 2.66Å; I41-L44 CarbonylContact O-C 3.58Å; I41-L44 PolarHBondContact O-N 2.65Å; I41-L44 VanDerWaalsContact O-N 3.08Å; D42-L44 PolarHBondContact O-N 2.7Å; L44-V46 PolarHBondContact O-N 2.82Å; L44-Q64 HydrophobicContact CD2-CG 3.93Å
45	T	76.4	Confident	77.2	Confident	83 Å²	83	87.6 Å²	87.6	51%	0.509	45%	0.454	S	S	.	.			trans	-64.3	129.8	170.8	-62.1	0	0	0	0	108.3	I41 D42	I41-T45 WeakPolarHBondContact O-CB 3.45Å; I41-T45 PolarHBondContact O-N 3.08Å; I41-T45 PolarHBondContact O-OG1 2.76Å; D42-T45 PolarHBondContact O-N 2.64Å
46	V	78.4	Confident	79	Confident	31 Å²	31	81.1 Å²	81.1	19%	0.188	42%	0.421	C	S	.	.			trans	-112.8	136.3	173	-173.9	0	0	0	0	106.8	L44 E48 L50 R55 Y58 L59	L44-V46 PolarHBondContact O-N 2.82Å; V46-E48 PolarHBondContact O-N 3.16Å; V46-L50 HydrophobicContact CG1-CD1 3.97Å; V46-R55 HydrophobicContact CG1-CG 4.23Å; V46-Y58 HydrophobicContact CG1-CD1 3.92Å; V46-Y58 HydrophobicContact CG1-CE1 4.27Å; V46-Y58 HydrophobicContact CG2-CD1 4.35Å; V46-Y58 HydrophobicContact CG2-CE1 4.24Å; V46-L59 HydrophobicContact CG2-CD2 3.62Å; V46-L59 HydrophobicContact CG2-CG 4.22Å
47	D	78.8	Confident	80.4	Confident	90 Å²	90	77.4 Å²	77.4	48%	0.481	41%	0.407	S	S	.	.			trans	-52.2	129.5	175.9	-178.2	2.3	0	0	0	111.3	D49 L50 R55	D47-D49 PolarHBondContact OD1-N 3.12Å; D47-L50 HydrophobicContact CB-CD1 4.11Å; D47-L50 HydrophobicContact CB-CG 3.91Å; D47-R55 PolarHBondContact O-NH2 3.2Å
48	E	79.3	Confident	81.3	Confident	181 Å²	181	78.8 Å²	78.8	85%	0.846	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-30	-176.7	-62.9	-163.4	152.6	0	0	111.1	V46 L50 R55	V46-E48 PolarHBondContact O-N 3.16Å; E48-L50 PolarHBondContact O-N 3.04Å; E48-R55 PolarHBondContact O-NH2 3.01Å
49	D	85.5	Confident	82.4	Confident	155 Å²	155	76.5 Å²	76.5	83%	0.829	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-13.1	-178.8	-77.5	-22.6	0	0	0	113.3	D47	D47-D49 PolarHBondContact OD1-N 3.12Å
50	L	87.4	Confident	83.7	Confident	42 Å²	42	70 Å²	70	22%	0.22	35%	0.353	C	S	.	.	S	Bend	trans	-66.7	139.5	177	-58.7	-178.9	0	0	0	111.9	V46 D47 E48 E54 R55	V46-L50 HydrophobicContact CG1-CD1 3.97Å; D47-L50 HydrophobicContact CB-CD1 4.11Å; D47-L50 HydrophobicContact CB-CG 3.91Å; E48-L50 PolarHBondContact O-N 3.04Å; L50-E54 HydrophobicContact CB-CB 4.14Å; L50-E54 HydrophobicContact CD2-CB 4.22Å; L50-R55 HydrophobicContact CB-CB 4.4Å; L50-R55 PolarHBondContact O-NH1 3.06Å; L50-R55 PolarHBondContact O-NH2 3.46Å
51	N	90.4	Very high	84.7	Confident	78 Å²	78	68.9 Å²	68.9	42%	0.417	36%	0.355	S	S	.	.			trans	-74.9	163.2	164.9	68.4	59.7	0	0	0	111.2	V53 E54 R55	N51-V53 PolarHBondContact O-N 3.49Å; N51-V53 VanDerWaalsContact O-N 3.15Å; N51-V53 WeakPolarHBondContact OD1-CB 3.46Å; N51-V53 PolarHBondContact OD1-N 2.98Å; N51-V53 VanDerWaalsContact OD1-N 3.16Å; N51-E54 PolarHBondContact ND2-OE1 2.97Å; N51-E54 VanDerWaalsContact ND2-OE1 3.12Å; N51-E54 PolarHBondContact ND2-OE2 3.3Å; N51-E54 PolarHBondContact O-N 3.34Å; N51-E54 PolarHBondContact OD1-N 3.48Å; N51-R55 WeakPolarHBondContact O-CB 3.27Å; N51-R55 PolarHBondContact O-N 3Å
52	D	90.4	Very high	85.6	Confident	76 Å²	76	69.5 Å²	69.5	41%	0.406	36%	0.362	S	S	.	.	H	α-helix	trans	-64	-24.2	-172.2	-68	-33.1	0	0	0	114.5	R55 A56 L78	D52-R55 IonicContact OD1-NH1 2.77Å; D52-R55 PolarHBondContact OD1-NH1 3.35Å; D52-A56 WeakPolarHBondContact O-CB 3.41Å; D52-A56 PolarHBondContact O-N 2.75Å; D52-L78 HydrophobicContact CB-CD2 3.93Å
53	V	93.3	Very high	86.4	Confident	11 Å²	11	64.2 Å²	64.2	7%	0.067	34%	0.335	C	S	.	.	H	α-helix	trans	-73.1	-41.3	172.7	173.6	0	0	0	0	110.8	N51 A56 V57 E85 R89 V90	N51-V53 PolarHBondContact O-N 3.49Å; N51-V53 VanDerWaalsContact O-N 3.15Å; N51-V53 WeakPolarHBondContact OD1-CB 3.46Å; N51-V53 PolarHBondContact OD1-N 2.98Å; N51-V53 VanDerWaalsContact OD1-N 3.16Å; V53-A56 PolarHBondContact O-N 3.18Å; V53-V57 VanDerWaalsContact O-CG2 3.27Å; V53-V57 WeakPolarHBondContact O-CG2 3.48Å; V53-V57 PolarHBondContact O-N 2.94Å; V53-E85 HydrophobicContact CG1-CB 4.24Å; V53-E85 HydrophobicContact CG2-CB 4.41Å; V53-R89 HydrophobicContact CG1-CB 4.1Å; V53-V90 HydrophobicContact CG1-CG2 3.98Å
54	E	92.9	Very high	87.5	Confident	60 Å²	60	62.5 Å²	62.5	28%	0.28	33%	0.327	S	S	.	.	H	α-helix	trans	-68.7	-44	174.8	-86.7	137.6	-146	0	0	112.8	L50 N51 A56 V57 Y58 R89	L50-E54 HydrophobicContact CB-CB 4.14Å; L50-E54 HydrophobicContact CD2-CB 4.22Å; N51-E54 PolarHBondContact ND2-OE1 2.97Å; N51-E54 VanDerWaalsContact ND2-OE1 3.12Å; N51-E54 PolarHBondContact ND2-OE2 3.3Å; N51-E54 PolarHBondContact O-N 3.34Å; N51-E54 PolarHBondContact OD1-N 3.48Å; E54-A56 VanDerWaalsContact C-N 3.29Å; E54-A56 PolarHBondContact O-N 3.23Å; E54-V57 PolarHBondContact O-N 2.99Å; E54-Y58 WeakPolarHBondContact O-CB 3.35Å; E54-Y58 PolarHBondContact O-N 2.82Å; E54-R89 IonicContact OE1-CZ 3.5Å; E54-R89 IonicContact OE1-NH1 2.72Å; E54-R89 PolarHBondContact OE1-NH1 2.97Å; E54-R89 IonicContact OE1-NH2 3.34Å; E54-R89 PolarHBondContact OE1-NH2 3.46Å
55	R	93.6	Very high	88.3	Confident	64 Å²	64	66.9 Å²	66.9	24%	0.242	35%	0.346	C	S	.	.	H	α-helix	trans	-54.8	-45.2	171.9	-178.3	169.3	-70.1	106.7	11.1	111.1	V46 D47 E48 L50 N51 D52 L59	V46-R55 HydrophobicContact CG1-CG 4.23Å; D47-R55 PolarHBondContact O-NH2 3.2Å; E48-R55 PolarHBondContact O-NH2 3.01Å; L50-R55 HydrophobicContact CB-CB 4.4Å; L50-R55 PolarHBondContact O-NH1 3.06Å; L50-R55 PolarHBondContact O-NH2 3.46Å; N51-R55 WeakPolarHBondContact O-CB 3.27Å; N51-R55 PolarHBondContact O-N 3Å; D52-R55 IonicContact OD1-NH1 2.77Å; D52-R55 PolarHBondContact OD1-NH1 3.35Å; R55-L59 HydrophobicContact CG-CD1 4.28Å; R55-L59 WeakPolarHBondContact O-CB 3.45Å; R55-L59 WeakPolarHBondContact O-CG 3.45Å; R55-L59 PolarHBondContact O-N 2.92Å
56	A	94.6	Very high	88.8	Confident	4 Å²	4	68.5 Å²	68.5	3%	0.033	36%	0.356	C	S	.	.	H	α-helix	trans	-63.2	-45.8	174.9	0	0	0	0	0	113	D52 V53 E54 L60 V71 L78 V90	D52-A56 WeakPolarHBondContact O-CB 3.41Å; D52-A56 PolarHBondContact O-N 2.75Å; V53-A56 PolarHBondContact O-N 3.18Å; E54-A56 VanDerWaalsContact C-N 3.29Å; E54-A56 PolarHBondContact O-N 3.23Å; A56-L60 WeakPolarHBondContact O-CB 3.26Å; A56-L60 VanDerWaalsContact O-CG 3.26Å; A56-L60 WeakPolarHBondContact O-CG 3.29Å; A56-L60 PolarHBondContact O-N 2.89Å; A56-V71 HydrophobicContact CB-CG1 3.62Å; A56-L78 HydrophobicContact CB-CD1 3.74Å; A56-V90 HydrophobicContact CB-CG1 4.03Å; A56-V90 HydrophobicContact CB-CG2 3.96Å
57	V	95	Very high	89.4	Confident	29 Å²	29	68.8 Å²	68.8	18%	0.176	36%	0.356	C	S	.	.	H	α-helix	trans	-63.4	-43.3	178	169.2	0	0	0	0	111.9	V53 E54 S61 R89 V90 K93	V53-V57 VanDerWaalsContact O-CG2 3.27Å; V53-V57 WeakPolarHBondContact O-CG2 3.48Å; V53-V57 PolarHBondContact O-N 2.94Å; E54-V57 PolarHBondContact O-N 2.99Å; V57-S61 WeakPolarHBondContact O-CB 3.48Å; V57-S61 PolarHBondContact O-N 3Å; V57-S61 VanDerWaalsContact O-N 3.08Å; V57-S61 PolarHBondContact O-OG 2.99Å; V57-R89 HydrophobicContact CG2-CB 3.81Å; V57-V90 HydrophobicContact CG2-CG2 4.22Å; V57-K93 HydrophobicContact CG1-CG 4.5Å
58	Y	92.8	Very high	90	Very high	94 Å²	94	68.5 Å²	68.5	37%	0.369	35%	0.348	S	S	.	.	H	α-helix	trans	-62	-51.7	177.8	177.3	-101.1	0	0	0	111.2	V46 E54 L60 S61 V62	V46-Y58 HydrophobicContact CG1-CD1 3.92Å; V46-Y58 HydrophobicContact CG1-CE1 4.27Å; V46-Y58 HydrophobicContact CG2-CD1 4.35Å; V46-Y58 HydrophobicContact CG2-CE1 4.24Å; E54-Y58 WeakPolarHBondContact O-CB 3.35Å; E54-Y58 PolarHBondContact O-N 2.82Å; Y58-L60 VanDerWaalsContact C-N 3.34Å; Y58-L60 PolarHBondContact O-N 3.31Å; Y58-S61 PolarHBondContact O-N 3.21Å; Y58-V62 HydrophobicContact CE2-CB 4.41Å; Y58-V62 HydrophobicContact CE2-CG2 4.32Å; Y58-V62 PolarHBondContact O-N 2.74Å
59	L	92.4	Very high	90.6	Very high	22 Å²	22	61.1 Å²	61.1	12%	0.115	32%	0.318	C	S	.	.	H	α-helix	trans	-64.6	-33.4	-179.6	-74.3	-179.7	0	0	0	113.5	V46 R55 G63 Q67 R68 V71	V46-L59 HydrophobicContact CG2-CD2 3.62Å; V46-L59 HydrophobicContact CG2-CG 4.22Å; R55-L59 HydrophobicContact CG-CD1 4.28Å; R55-L59 WeakPolarHBondContact O-CB 3.45Å; R55-L59 WeakPolarHBondContact O-CG 3.45Å; R55-L59 PolarHBondContact O-N 2.92Å; L59-G63 VanDerWaalsContact O-CA 3.31Å; L59-G63 WeakPolarHBondContact O-CA 3.49Å; L59-G63 PolarHBondContact O-N 3.48Å; L59-G63 VanDerWaalsContact O-N 3.11Å; L59-Q67 HydrophobicContact CD2-CB 3.97Å; L59-Q67 HydrophobicContact CD2-CG 4.22Å; L59-R68 WeakPolarHBondContact O-CG 3.22Å; L59-V71 HydrophobicContact CB-CG2 3.77Å; L59-V71 HydrophobicContact CD1-CG2 3.89Å
60	L	93.4	Very high	91	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-70.4	-31.3	172.2	-72.1	168.3	0	0	0	113	A56 Y58 R68 V71 I72 V90 K93 V94 V97	A56-L60 WeakPolarHBondContact O-CB 3.26Å; A56-L60 VanDerWaalsContact O-CG 3.26Å; A56-L60 WeakPolarHBondContact O-CG 3.29Å; A56-L60 PolarHBondContact O-N 2.89Å; Y58-L60 VanDerWaalsContact C-N 3.34Å; Y58-L60 PolarHBondContact O-N 3.31Å; L60-R68 HydrophobicContact CD2-CB 4.34Å; L60-V71 HydrophobicContact CD1-CG1 3.82Å; L60-V71 HydrophobicContact CD2-CB 4.32Å; L60-V71 HydrophobicContact CD2-CG1 4.16Å; L60-V71 HydrophobicContact CG-CB 4.28Å; L60-V71 HydrophobicContact CG-CG1 3.8Å; L60-I72 HydrophobicContact CD2-CD1 4.21Å; L60-I72 HydrophobicContact CD2-CG1 4Å; L60-V90 HydrophobicContact CD1-CG1 3.63Å; L60-K93 HydrophobicContact CB-CB 3.85Å; L60-K93 HydrophobicContact CD1-CB 3.82Å; L60-K93 HydrophobicContact CG-CB 4.48Å; L60-V94 HydrophobicContact CD1-CG2 3.74Å; L60-V94 HydrophobicContact CD2-CG2 4.29Å; L60-V97 HydrophobicContact CB-CG2 4.39Å; L60-V97 HydrophobicContact CD2-CG2 4.14Å; L60-V97 WeakPolarHBondContact O-CG2 3.34Å
61	S	91.9	Very high	91.4	Very high	58 Å²	58	56 Å²	56	41%	0.406	30%	0.297	S	S	.	.	H	α-helix	trans	-87.2	-36.6	-174.9	-54.7	0	0	0	0	113.4	V57 Y58	V57-S61 WeakPolarHBondContact O-CB 3.48Å; V57-S61 PolarHBondContact O-N 3Å; V57-S61 VanDerWaalsContact O-N 3.08Å; V57-S61 PolarHBondContact O-OG 2.99Å; Y58-S61 PolarHBondContact O-N 3.21Å
62	V	88.4	Confident	91.6	Very high	96 Å²	96	52.3 Å²	52.3	58%	0.582	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.7	-30.5	-171.6	-170.9	0	0	0	0	112.8	Y58	Y58-V62 HydrophobicContact CE2-CB 4.41Å; Y58-V62 HydrophobicContact CE2-CG2 4.32Å; Y58-V62 PolarHBondContact O-N 2.74Å
63	G	85.3	Confident	91.9	Very high	6 Å²	6	52 Å²	52	6%	0.062	28%	0.281	C	S	.	.	S	Bend	trans	-61.8	164	-174	0	0	0	0	0	114.9	L59 R68	L59-G63 VanDerWaalsContact O-CA 3.31Å; L59-G63 WeakPolarHBondContact O-CA 3.49Å; L59-G63 PolarHBondContact O-N 3.48Å; L59-G63 VanDerWaalsContact O-N 3.11Å; G63-R68 VanDerWaalsContact O-CZ 3.22Å; G63-R68 PolarHBondContact O-NE 3.47Å; G63-R68 PolarHBondContact O-NH2 3.34Å
64	Q	87.8	Confident	92	Very high	97 Å²	97	55.2 Å²	55.2	45%	0.453	30%	0.298	S	S	.	.			trans	-69.5	162.4	176.7	-64.4	-172.9	-5.3	0	0	112.1	L44 V66 Q67 R68	L44-Q64 HydrophobicContact CD2-CG 3.93Å; Q64-V66 VanDerWaalsContact C-N 3.31Å; Q64-V66 PolarHBondContact O-N 3.25Å; Q64-Q67 WeakPolarHBondContact O-CA 3.33Å; Q64-Q67 WeakPolarHBondContact O-CB 3.48Å; Q64-Q67 PolarHBondContact O-N 3.18Å; Q64-R68 PolarHBondContact O-N 2.97Å
65	E	85.9	Confident	92	Very high	123 Å²	123	52.3 Å²	52.3	58%	0.575	28%	0.284	S	S	*	.	H	α-helix	trans	-53.1	-43.7	-174.2	-161.5	171.6	-171.6	0	0	113.5	Q67 R68 A69 I105	E65-Q67 VanDerWaalsContact C-N 3.32Å; E65-Q67 PolarHBondContact O-N 2.88Å; E65-R68 WeakPolarHBondContact O-CB 3.39Å; E65-R68 PolarHBondContact O-N 3.45Å; E65-A69 WeakPolarHBondContact O-CB 3.26Å; E65-A69 PolarHBondContact O-N 3.35Å; E65-I105 HydrophobicContact CG-CD1 3.7Å; E65-I105 HydrophobicContact CG-CG1 4.5Å
66	V	87.8	Confident	91.9	Very high	118 Å²	118	49.7 Å²	49.7	72%	0.715	28%	0.275	S	S	*	.	H	α-helix	trans	-63.1	-35.4	176.2	-177	0	0	0	0	112.2	Q64 S70	Q64-V66 VanDerWaalsContact C-N 3.31Å; Q64-V66 PolarHBondContact O-N 3.25Å; V66-S70 VanDerWaalsContact O-CB 3.31Å; V66-S70 WeakPolarHBondContact O-CB 3.24Å; V66-S70 PolarHBondContact O-N 2.85Å
67	Q	90.5	Very high	91.8	Very high	37 Å²	37	51.2 Å²	51.2	17%	0.173	29%	0.286	C	S	.	.	H	α-helix	trans	-70.8	-40.6	175.7	-64.4	171.5	-56.1	0	0	111	L59 Q64 E65 S70 V71	L59-Q67 HydrophobicContact CD2-CB 3.97Å; L59-Q67 HydrophobicContact CD2-CG 4.22Å; Q64-Q67 WeakPolarHBondContact O-CA 3.33Å; Q64-Q67 WeakPolarHBondContact O-CB 3.48Å; Q64-Q67 PolarHBondContact O-N 3.18Å; E65-Q67 VanDerWaalsContact C-N 3.32Å; E65-Q67 PolarHBondContact O-N 2.88Å; Q67-S70 PolarHBondContact O-N 3.07Å; Q67-V71 WeakPolarHBondContact O-CG2 3.45Å; Q67-V71 PolarHBondContact O-N 2.84Å
68	R	92.4	Very high	91.7	Very high	84 Å²	84	50.1 Å²	50.1	32%	0.317	28%	0.279	S	S	.	.	H	α-helix	trans	-61	-47.3	174.2	-58.9	178.3	-163.4	176.3	4.3	111.1	L59 L60 G63 Q64 E65 S70 V71 I72 V97	L59-R68 WeakPolarHBondContact O-CG 3.22Å; L60-R68 HydrophobicContact CD2-CB 4.34Å; G63-R68 VanDerWaalsContact O-CZ 3.22Å; G63-R68 PolarHBondContact O-NE 3.47Å; G63-R68 PolarHBondContact O-NH2 3.34Å; Q64-R68 PolarHBondContact O-N 2.97Å; E65-R68 WeakPolarHBondContact O-CB 3.39Å; E65-R68 PolarHBondContact O-N 3.45Å; R68-S70 VanDerWaalsContact C-N 3.32Å; R68-S70 PolarHBondContact O-N 2.8Å; R68-V71 PolarHBondContact O-N 3.06Å; R68-I72 WeakPolarHBondContact O-CB 3.28Å; R68-I72 VanDerWaalsContact O-CG1 3.29Å; R68-I72 WeakPolarHBondContact O-CG1 3.49Å; R68-I72 PolarHBondContact O-N 3.47Å; R68-V97 HydrophobicContact CB-CG1 4.37Å
69	A	91.9	Very high	91.5	Very high	26 Å²	26	45.9 Å²	45.9	22%	0.215	26%	0.263	C	S	.	.	H	α-helix	trans	-61.6	-38.2	176.4	0	0	0	0	0	112.4	E65 I72 S73	E65-A69 WeakPolarHBondContact O-CB 3.26Å; E65-A69 PolarHBondContact O-N 3.35Å; A69-I72 PolarHBondContact O-N 3.25Å; A69-S73 WeakPolarHBondContact O-CB 3.46Å; A69-S73 PolarHBondContact O-N 3.24Å; A69-S73 PolarHBondContact O-OG 3.08Å
70	S	93.2	Very high	91.3	Very high	77 Å²	77	50.9 Å²	50.9	54%	0.538	28%	0.28	S	S	.	.	H	α-helix	trans	-65.1	-44.8	175.4	-178.3	0	0	0	0	112.6	V66 Q67 R68 S73 N74	V66-S70 VanDerWaalsContact O-CB 3.31Å; V66-S70 WeakPolarHBondContact O-CB 3.24Å; V66-S70 PolarHBondContact O-N 2.85Å; Q67-S70 PolarHBondContact O-N 3.07Å; R68-S70 VanDerWaalsContact C-N 3.32Å; R68-S70 PolarHBondContact O-N 2.8Å; S70-S73 PolarHBondContact O-N 2.92Å; S70-N74 WeakPolarHBondContact O-CB 3.46Å; S70-N74 PolarHBondContact O-N 3.43Å
71	V	95.3	Very high	91.1	Very high	12 Å²	12	56.7 Å²	56.7	7%	0.073	31%	0.307	C	S	.	.	H	α-helix	trans	-62.6	-42.8	174.1	173.2	0	0	0	0	111.2	A56 L59 L60 Q67 R68 N74 L75 L78 V90	A56-V71 HydrophobicContact CB-CG1 3.62Å; L59-V71 HydrophobicContact CB-CG2 3.77Å; L59-V71 HydrophobicContact CD1-CG2 3.89Å; L60-V71 HydrophobicContact CD1-CG1 3.82Å; L60-V71 HydrophobicContact CD2-CB 4.32Å; L60-V71 HydrophobicContact CD2-CG1 4.16Å; L60-V71 HydrophobicContact CG-CB 4.28Å; L60-V71 HydrophobicContact CG-CG1 3.8Å; Q67-V71 WeakPolarHBondContact O-CG2 3.45Å; Q67-V71 PolarHBondContact O-N 2.84Å; R68-V71 PolarHBondContact O-N 3.06Å; V71-N74 CarbonylContact O-C 3.6Å; V71-N74 PolarHBondContact O-N 2.9Å; V71-L75 PolarHBondContact O-N 2.68Å; V71-L78 HydrophobicContact CG1-CD1 4.42Å; V71-V90 HydrophobicContact CG1-CG1 4.41Å
72	I	95.8	Very high	90.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.3	-48.8	177.8	-73.9	167.6	0	0	0	110.7	L60 R68 A69 N74 L75 V94 V97 I105 A108 A109 S112	L60-I72 HydrophobicContact CD2-CD1 4.21Å; L60-I72 HydrophobicContact CD2-CG1 4Å; R68-I72 WeakPolarHBondContact O-CB 3.28Å; R68-I72 VanDerWaalsContact O-CG1 3.29Å; R68-I72 WeakPolarHBondContact O-CG1 3.49Å; R68-I72 PolarHBondContact O-N 3.47Å; A69-I72 PolarHBondContact O-N 3.25Å; I72-N74 PolarHBondContact O-N 3.04Å; I72-L75 WeakPolarHBondContact O-CB 3.43Å; I72-L75 PolarHBondContact O-N 3.19Å; I72-L75 VanDerWaalsContact O-N 3.08Å; I72-V94 HydrophobicContact CD1-CG1 4.29Å; I72-V94 HydrophobicContact CG1-CG1 4.07Å; I72-V94 HydrophobicContact CG1-CG2 4.03Å; I72-V97 HydrophobicContact CD1-CG1 4.14Å; I72-I105 HydrophobicContact CD1-CG2 3.59Å; I72-A108 HydrophobicContact CG2-CB 4.06Å; I72-A109 VanDerWaalsContact CG2-CA 3.46Å; I72-A109 HydrophobicContact CG2-CB 3.77Å; I72-S112 WeakPolarHBondContact O-CB 3.39Å; I72-S112 PolarHBondContact O-OG 2.88Å
73	S	96.3	Very high	90.8	Very high	71 Å²	71	53.9 Å²	53.9	50%	0.497	29%	0.286	S	S	.	.	H	α-helix	trans	-63.9	-27	178	-55.7	0	0	0	0	113.3	A69 S70	A69-S73 WeakPolarHBondContact O-CB 3.46Å; A69-S73 PolarHBondContact O-N 3.24Å; A69-S73 PolarHBondContact O-OG 3.08Å; S70-S73 PolarHBondContact O-N 2.92Å
74	N	94.9	Very high	90.8	Very high	77 Å²	77	56.1 Å²	56.1	41%	0.412	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	0.5	176.4	-162.3	41.5	0	0	0	113.8	S70 V71 I72 P76 S77 L78	S70-N74 WeakPolarHBondContact O-CB 3.46Å; S70-N74 PolarHBondContact O-N 3.43Å; V71-N74 CarbonylContact O-C 3.6Å; V71-N74 PolarHBondContact O-N 2.9Å; I72-N74 PolarHBondContact O-N 3.04Å; N74-P76 VanDerWaalsContact C-N 3.31Å; N74-S77 WeakPolarHBondContact O-CB 3.35Å; N74-S77 PolarHBondContact O-N 3.28Å; N74-S77 WeakPolarHBondContact OD1-CB 3.19Å; N74-S77 PolarHBondContact OD1-OG 2.77Å; N74-L78 PolarHBondContact O-N 2.96Å
75	L	93.3	Very high	90.9	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-53.9	-36.7	178.9	-169.9	70.1	0	0	0	113.9	V71 I72 S77 L78 V79 T86 V90 V91 V94 F113 I116	V71-L75 PolarHBondContact O-N 2.68Å; I72-L75 WeakPolarHBondContact O-CB 3.43Å; I72-L75 PolarHBondContact O-N 3.19Å; I72-L75 VanDerWaalsContact O-N 3.08Å; L75-S77 VanDerWaalsContact C-N 3.31Å; L75-S77 PolarHBondContact O-N 2.86Å; L75-L78 PolarHBondContact O-N 3.36Å; L75-V79 WeakPolarHBondContact O-CG2 3.33Å; L75-V79 PolarHBondContact O-N 3.11Å; L75-T86 HydrophobicContact CD1-CG2 3.66Å; L75-V90 HydrophobicContact CD1-CB 4.34Å; L75-V90 HydrophobicContact CD1-CG1 3.7Å; L75-V91 HydrophobicContact CD1-CG2 4.27Å; L75-V91 HydrophobicContact CD2-CG2 4.35Å; L75-V94 HydrophobicContact CD1-CG2 4.49Å; L75-V94 HydrophobicContact CD2-CG2 4.42Å; L75-F113 HydrophobicContact CD2-CD1 4.43Å; L75-F113 HydrophobicContact CD2-CE1 3.89Å; L75-F113 HydrophobicContact CD2-CZ 4Å; L75-I116 HydrophobicContact CB-CD1 4.32Å; L75-I116 HydrophobicContact CD2-CD1 3.83Å; L75-I116 HydrophobicContact CG-CD1 3.79Å
76	P	92	Very high	91.1	Very high	8 Å²	8	48.1 Å²	48.1	5%	0.052	27%	0.266	C	S	.	.	H	α-helix	trans	-61.4	-37.7	174.7	-22.1	34.2	0	0	0	112.8	N74 V79 R80 T115 I116	N74-P76 VanDerWaalsContact C-N 3.31Å; P76-V79 PolarHBondContact O-N 2.89Å; P76-R80 VanDerWaalsContact O-CG 3.25Å; P76-R80 WeakPolarHBondContact O-CG 3.35Å; P76-R80 PolarHBondContact O-N 3.01Å; P76-T115 HydrophobicContact CB-CG2 3.89Å; P76-T115 HydrophobicContact CG-CG2 3.94Å; P76-I116 HydrophobicContact CB-CG1 4.02Å; P76-I116 HydrophobicContact CG-CD1 4.39Å; P76-I116 HydrophobicContact CG-CG1 4.11Å
77	S	92.4	Very high	91.1	Very high	36 Å²	36	43.1 Å²	43.1	25%	0.252	24%	0.235	S	C	.	.	H	α-helix	trans	-65.9	-43.1	176.1	-49.4	0	0	0	0	111.7	N74 L75 V79 R80 Q81	N74-S77 WeakPolarHBondContact O-CB 3.35Å; N74-S77 PolarHBondContact O-N 3.28Å; N74-S77 WeakPolarHBondContact OD1-CB 3.19Å; N74-S77 PolarHBondContact OD1-OG 2.77Å; L75-S77 VanDerWaalsContact C-N 3.31Å; L75-S77 PolarHBondContact O-N 2.86Å; S77-V79 PolarHBondContact O-N 2.86Å; S77-R80 PolarHBondContact O-N 3.21Å; S77-Q81 WeakPolarHBondContact O-CG 3.39Å; S77-Q81 PolarHBondContact O-N 2.87Å; S77-Q81 VanDerWaalsContact O-N 3.07Å
78	L	91.9	Very high	91.1	Very high	7 Å²	7	49.3 Å²	49.3	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-62.4	-42.5	176.8	-63.4	173.6	0	0	0	111.3	D52 A56 V71 N74 L75 R80 Q81 N82 T86 V90	D52-L78 HydrophobicContact CB-CD2 3.93Å; A56-L78 HydrophobicContact CB-CD1 3.74Å; V71-L78 HydrophobicContact CG1-CD1 4.42Å; N74-L78 PolarHBondContact O-N 2.96Å; L75-L78 PolarHBondContact O-N 3.36Å; L78-R80 PolarHBondContact O-N 3.05Å; L78-Q81 PolarHBondContact O-N 3.02Å; L78-N82 PolarHBondContact O-N 3.18Å; L78-T86 HydrophobicContact CB-CG2 3.82Å; L78-T86 PolarHBondContact O-OG1 2.95Å; L78-V90 HydrophobicContact CD1-CG1 4.41Å
79	V	89.2	Confident	91.1	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.024	26%	0.257	C	S	.	.	H	α-helix	trans	-64.4	-37.3	175.5	172.7	0	0	0	0	112.1	L75 P76 S77 Q81 P83 T86 F87 I116	L75-V79 WeakPolarHBondContact O-CG2 3.33Å; L75-V79 PolarHBondContact O-N 3.11Å; P76-V79 PolarHBondContact O-N 2.89Å; S77-V79 PolarHBondContact O-N 2.86Å; V79-Q81 VanDerWaalsContact C-N 3.32Å; V79-Q81 PolarHBondContact O-N 3.4Å; V79-P83 HydrophobicContact CG1-CB 4.22Å; V79-P83 WeakPolarHBondContact O-CA 3.35Å; V79-P83 WeakPolarHBondContact O-CB 3.46Å; V79-P83 VanDerWaalsContact O-CD 3.28Å; V79-P83 WeakPolarHBondContact O-CD 3.34Å; V79-T86 HydrophobicContact CG2-CG2 3.62Å; V79-F87 HydrophobicContact CG1-CE2 3.88Å; V79-F87 HydrophobicContact CG1-CZ 4.47Å; V79-F87 HydrophobicContact CG2-CE2 4.11Å; V79-F87 HydrophobicContact CG2-CZ 4.33Å; V79-I116 HydrophobicContact CB-CG1 4.37Å; V79-I116 HydrophobicContact CG1-CG2 4.2Å; V79-I116 HydrophobicContact CG2-CD1 3.9Å; V79-I116 HydrophobicContact CG2-CG1 4.25Å
80	R	87.4	Confident	91.2	Very high	128 Å²	128	48 Å²	48	48%	0.483	25%	0.246	S	C	.	.	H	α-helix	trans	-66	-31.9	174	-69.5	165.3	-164.4	144.1	-2.3	113	P76 S77 L78 D119 I121	P76-R80 VanDerWaalsContact O-CG 3.25Å; P76-R80 WeakPolarHBondContact O-CG 3.35Å; P76-R80 PolarHBondContact O-N 3.01Å; S77-R80 PolarHBondContact O-N 3.21Å; L78-R80 PolarHBondContact O-N 3.05Å; R80-D119 IonicContact CZ-OD2 2.99Å; R80-D119 IonicContact NE-OD2 3.23Å; R80-D119 PolarHBondContact NE-OD2 2.97Å; R80-D119 IonicContact NH2-OD1 2.75Å; R80-D119 PolarHBondContact NH2-OD1 3.41Å; R80-D119 IonicContact NH2-OD2 3.87Å; R80-D119 PolarHBondContact NH2-OD2 2.86Å; R80-I121 HydrophobicContact CG-CD1 3.76Å
81	Q	88.9	Confident	91.1	Very high	125 Å²	125	44.4 Å²	44.4	58%	0.584	22%	0.221	S	C	*	.	H	α-helix	trans	-81.5	-50.2	-179.4	-71.4	169.1	-21.1	0	0	112.7	S77 L78 V79	S77-Q81 WeakPolarHBondContact O-CG 3.39Å; S77-Q81 PolarHBondContact O-N 2.87Å; S77-Q81 VanDerWaalsContact O-N 3.07Å; L78-Q81 PolarHBondContact O-N 3.02Å; V79-Q81 VanDerWaalsContact C-N 3.32Å; V79-Q81 PolarHBondContact O-N 3.4Å
82	N	88.2	Confident	90.9	Very high	68 Å²	68	46 Å²	46	36%	0.364	23%	0.232	S	C	.	.			trans	-147.8	84.5	-178.5	-173.1	-17.8	0	0	0	110.3	L78 A84 E85 T86	L78-N82 PolarHBondContact O-N 3.18Å; N82-A84 PolarHBondContact O-N 3.07Å; N82-E85 PolarHBondContact OD1-N 3.38Å; N82-T86 WeakPolarHBondContact O-CB 3.32Å; N82-T86 PolarHBondContact O-N 3.3Å; N82-T86 PolarHBondContact O-OG1 2.85Å
83	P	86.1	Confident	90.8	Very high	27 Å²	27	48.7 Å²	48.7	18%	0.175	24%	0.243	C	C	.	.	H	α-helix	trans	-63.3	-44.2	-173.8	22.4	-31.9	0	0	0	112.1	V79 T86 F87 L123	V79-P83 HydrophobicContact CG1-CB 4.22Å; V79-P83 WeakPolarHBondContact O-CA 3.35Å; V79-P83 WeakPolarHBondContact O-CB 3.46Å; V79-P83 VanDerWaalsContact O-CD 3.28Å; V79-P83 WeakPolarHBondContact O-CD 3.34Å; P83-T86 PolarHBondContact O-N 3.38Å; P83-F87 WeakPolarHBondContact O-CB 3.42Å; P83-F87 VanDerWaalsContact O-CD2 3.26Å; P83-F87 WeakPolarHBondContact O-CD2 3.2Å; P83-F87 PolarHBondContact O-N 2.81Å; P83-L123 HydrophobicContact CG-CD2 4.03Å
84	A	85.9	Confident	90.6	Very high	53 Å²	53	45.3 Å²	45.3	44%	0.438	22%	0.22	S	C	.	.	H	α-helix	trans	-62.4	-48.5	-174	0	0	0	0	0	112.4	N82 R88	N82-A84 PolarHBondContact O-N 3.07Å; A84-R88 VanDerWaalsContact O-CB 3.25Å; A84-R88 WeakPolarHBondContact O-CB 3.41Å; A84-R88 PolarHBondContact O-N 2.99Å
85	E	88.9	Confident	90.5	Very high	52 Å²	52	44.9 Å²	44.9	24%	0.243	21%	0.212	C	C	.	.	H	α-helix	trans	-75.8	-30.4	177.8	-71.8	-64.6	169	0	0	112.9	V53 N82 R88 R89	V53-E85 HydrophobicContact CG1-CB 4.24Å; V53-E85 HydrophobicContact CG2-CB 4.41Å; N82-E85 PolarHBondContact OD1-N 3.38Å; E85-R88 PolarHBondContact O-N 3Å; E85-R88 IonicContact OE1-CZ 3.29Å; E85-R88 VanDerWaalsContact OE1-CZ 3.29Å; E85-R88 IonicContact OE1-NE 3.19Å; E85-R88 PolarHBondContact OE1-NE 2.85Å; E85-R88 IonicContact OE1-NH2 2.72Å; E85-R88 PolarHBondContact OE1-NH2 3.01Å; E85-R88 IonicContact OE2-CZ 3.31Å; E85-R88 VanDerWaalsContact OE2-CZ 3.31Å; E85-R88 IonicContact OE2-NE 2.81Å; E85-R88 PolarHBondContact OE2-NE 3.15Å; E85-R88 IonicContact OE2-NH2 2.96Å; E85-R88 PolarHBondContact OE2-NH2 2.94Å; E85-R89 WeakPolarHBondContact O-CB 3.28Å; E85-R89 PolarHBondContact O-N 3.31Å; E85-R89 WeakPolarHBondContact OE2-CD 3.45Å; E85-R89 WeakPolarHBondContact OE2-CG 3.36Å
86	T	90.6	Very high	90.4	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.236	C	C	.	.	I	π-helix	trans	-64.1	-45	173.6	-59.3	0	0	0	0	111.1	L75 L78 V79 N82 P83 V90 V91	L75-T86 HydrophobicContact CD1-CG2 3.66Å; L78-T86 HydrophobicContact CB-CG2 3.82Å; L78-T86 PolarHBondContact O-OG1 2.95Å; V79-T86 HydrophobicContact CG2-CG2 3.62Å; N82-T86 WeakPolarHBondContact O-CB 3.32Å; N82-T86 PolarHBondContact O-N 3.3Å; N82-T86 PolarHBondContact O-OG1 2.85Å; P83-T86 PolarHBondContact O-N 3.38Å; T86-V90 HydrophobicContact CG2-CB 4Å; T86-V90 HydrophobicContact CG2-CG2 4.18Å; T86-V90 WeakPolarHBondContact O-CA 3.44Å; T86-V90 WeakPolarHBondContact O-CB 3.45Å; T86-V90 PolarHBondContact O-N 3.03Å; T86-V91 PolarHBondContact O-N 3.29Å
87	F	88.5	Confident	90.4	Very high	13 Å²	13	50.6 Å²	50.6	6%	0.057	24%	0.24	C	C	.	.	I	π-helix	trans	-69.8	-29.1	174.2	-80.8	-68.4	0	0	0	113.5	V79 P83 V91 I116 H127 I131	V79-F87 HydrophobicContact CG1-CE2 3.88Å; V79-F87 HydrophobicContact CG1-CZ 4.47Å; V79-F87 HydrophobicContact CG2-CE2 4.11Å; V79-F87 HydrophobicContact CG2-CZ 4.33Å; P83-F87 WeakPolarHBondContact O-CB 3.42Å; P83-F87 VanDerWaalsContact O-CD2 3.26Å; P83-F87 WeakPolarHBondContact O-CD2 3.2Å; P83-F87 PolarHBondContact O-N 2.81Å; F87-V91 HydrophobicContact CD1-CB 4.22Å; F87-V91 HydrophobicContact CD1-CG1 4.33Å; F87-V91 HydrophobicContact CD1-CG2 3.7Å; F87-V91 HydrophobicContact CE1-CG2 4.07Å; F87-V91 HydrophobicContact CG-CG2 4.42Å; F87-I116 HydrophobicContact CZ-CG2 4.06Å; F87-H127 HydrophobicContact CD1-CB 3.69Å; F87-H127 AromaticContact CD1-CG 3.98Å; F87-H127 HydrophobicContact CD2-CB 3.87Å; F87-H127 AromaticContact CD2-CD2 3.29Å; F87-H127 WeakPolarHBondContact CD2-CD2 3.26Å; F87-H127 AromaticContact CD2-CG 3.58Å; F87-H127 AromaticContact CD2-NE2 3.98Å; F87-H127 HydrophobicContact CE1-CB 3.76Å; F87-H127 HydrophobicContact CE2-CB 3.93Å; F87-H127 AromaticContact CE2-CD2 3.84Å; F87-H127 HydrophobicContact CG-CB 3.77Å; F87-H127 AromaticContact CG-CD2 3.69Å; F87-H127 AromaticContact CG-CG 3.53Å; F87-H127 AromaticContact CG-ND1 3.99Å; F87-H127 HydrophobicContact CZ-CB 3.88Å; F87-I131 HydrophobicContact CE1-CD1 4Å; F87-I131 HydrophobicContact CE1-CG1 3.96Å; F87-I131 HydrophobicContact CZ-CD1 4.07Å
88	R	89.8	Confident	90.4	Very high	167 Å²	167	49 Å²	49	63%	0.63	23%	0.228	S	C	*	.	I	π-helix	trans	-78.9	-39.3	178.5	-169.4	175.8	77.2	123.6	-8.7	113.8	A84 E85	A84-R88 VanDerWaalsContact O-CB 3.25Å; A84-R88 WeakPolarHBondContact O-CB 3.41Å; A84-R88 PolarHBondContact O-N 2.99Å; E85-R88 PolarHBondContact O-N 3Å; E85-R88 IonicContact OE1-CZ 3.29Å; E85-R88 VanDerWaalsContact OE1-CZ 3.29Å; E85-R88 IonicContact OE1-NE 3.19Å; E85-R88 PolarHBondContact OE1-NE 2.85Å; E85-R88 IonicContact OE1-NH2 2.72Å; E85-R88 PolarHBondContact OE1-NH2 3.01Å; E85-R88 IonicContact OE2-CZ 3.31Å; E85-R88 VanDerWaalsContact OE2-CZ 3.31Å; E85-R88 IonicContact OE2-NE 2.81Å; E85-R88 PolarHBondContact OE2-NE 3.15Å; E85-R88 IonicContact OE2-NH2 2.96Å; E85-R88 PolarHBondContact OE2-NH2 2.94Å
89	R	92.9	Very high	90.2	Very high	84 Å²	84	53.5 Å²	53.5	32%	0.317	25%	0.253	S	S	.	.	I	π-helix	trans	-112.3	-42.4	-170.5	-61	177.3	70.4	-176.4	4	113.7	V53 E54 V57 E85	V53-R89 HydrophobicContact CG1-CB 4.1Å; E54-R89 IonicContact OE1-CZ 3.5Å; E54-R89 IonicContact OE1-NH1 2.72Å; E54-R89 PolarHBondContact OE1-NH1 2.97Å; E54-R89 IonicContact OE1-NH2 3.34Å; E54-R89 PolarHBondContact OE1-NH2 3.46Å; V57-R89 HydrophobicContact CG2-CB 3.81Å; E85-R89 WeakPolarHBondContact O-CB 3.28Å; E85-R89 PolarHBondContact O-N 3.31Å; E85-R89 WeakPolarHBondContact OE2-CD 3.45Å; E85-R89 WeakPolarHBondContact OE2-CG 3.36Å
90	V	93.8	Very high	89.8	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.293	C	S	.	.	I	π-helix	trans	-85.1	-49.9	-172.7	-172.1	0	0	0	0	111.6	V53 A56 V57 L60 V71 L75 L78 T86 K93 V94	V53-V90 HydrophobicContact CG1-CG2 3.98Å; A56-V90 HydrophobicContact CB-CG1 4.03Å; A56-V90 HydrophobicContact CB-CG2 3.96Å; V57-V90 HydrophobicContact CG2-CG2 4.22Å; L60-V90 HydrophobicContact CD1-CG1 3.63Å; V71-V90 HydrophobicContact CG1-CG1 4.41Å; L75-V90 HydrophobicContact CD1-CB 4.34Å; L75-V90 HydrophobicContact CD1-CG1 3.7Å; L78-V90 HydrophobicContact CD1-CG1 4.41Å; T86-V90 HydrophobicContact CG2-CB 4Å; T86-V90 HydrophobicContact CG2-CG2 4.18Å; T86-V90 WeakPolarHBondContact O-CA 3.44Å; T86-V90 WeakPolarHBondContact O-CB 3.45Å; T86-V90 PolarHBondContact O-N 3.03Å; V90-K93 WeakPolarHBondContact O-CA 3.41Å; V90-K93 WeakPolarHBondContact O-CB 3.34Å; V90-K93 PolarHBondContact O-N 2.95Å; V90-V94 HydrophobicContact CG1-CG2 4.31Å; V90-V94 PolarHBondContact O-N 3.46Å
91	V	90.6	Very high	89.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.3	-37.1	-176.3	172.8	0	0	0	0	114	L75 T86 F87 K93 V94 R95 F113	L75-V91 HydrophobicContact CD1-CG2 4.27Å; L75-V91 HydrophobicContact CD2-CG2 4.35Å; T86-V91 PolarHBondContact O-N 3.29Å; F87-V91 HydrophobicContact CD1-CB 4.22Å; F87-V91 HydrophobicContact CD1-CG1 4.33Å; F87-V91 HydrophobicContact CD1-CG2 3.7Å; F87-V91 HydrophobicContact CE1-CG2 4.07Å; F87-V91 HydrophobicContact CG-CG2 4.42Å; V91-K93 VanDerWaalsContact C-N 3.34Å; V91-K93 PolarHBondContact O-N 3.36Å; V91-V94 PolarHBondContact O-N 3.23Å; V91-R95 PolarHBondContact O-N 3.46Å; V91-F113 HydrophobicContact CG1-CE1 4.16Å; V91-F113 HydrophobicContact CG1-CZ 4.19Å; V91-F113 HydrophobicContact CG2-CE1 4.38Å
92	P	91.6	Very high	90	Very high	46 Å²	46	47.9 Å²	47.9	30%	0.299	27%	0.267	S	S	.	.	H	α-helix	trans	-60.1	-41.4	170.7	-25.9	36.6	0	0	0	112.9	R95 E96	P92-R95 PolarHBondContact O-N 3.34Å; P92-E96 PolarHBondContact O-N 3.04Å
93	K	93.3	Very high	90.2	Very high	56 Å²	56	46.4 Å²	46.4	24%	0.243	26%	0.264	C	S	.	.	H	α-helix	trans	-68.4	-33.7	175.7	-69.7	-57.2	-177	-156.9	0	113.1	V57 L60 V90 V91 R95 E96 V97	V57-K93 HydrophobicContact CG1-CG 4.5Å; L60-K93 HydrophobicContact CB-CB 3.85Å; L60-K93 HydrophobicContact CD1-CB 3.82Å; L60-K93 HydrophobicContact CG-CB 4.48Å; V90-K93 WeakPolarHBondContact O-CA 3.41Å; V90-K93 WeakPolarHBondContact O-CB 3.34Å; V90-K93 PolarHBondContact O-N 2.95Å; V91-K93 VanDerWaalsContact C-N 3.34Å; V91-K93 PolarHBondContact O-N 3.36Å; K93-R95 VanDerWaalsContact C-N 3.34Å; K93-E96 WeakPolarHBondContact CD-OE1 3.49Å; K93-E96 WeakPolarHBondContact CD-OE2 3.33Å; K93-E96 IonicContact NZ-OE1 2.64Å; K93-E96 PolarHBondContact NZ-OE1 3.24Å; K93-E96 IonicContact NZ-OE2 3.69Å; K93-E96 PolarHBondContact NZ-OE2 3.49Å; K93-E96 PolarHBondContact O-N 2.91Å; K93-V97 WeakPolarHBondContact O-CG2 3.43Å; K93-V97 PolarHBondContact O-N 3.24Å
94	V	93.5	Very high	90.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.8	-43.6	169.1	176.2	0	0	0	0	110.7	L60 I72 L75 V90 V91 V97 L98 F113	L60-V94 HydrophobicContact CD1-CG2 3.74Å; L60-V94 HydrophobicContact CD2-CG2 4.29Å; I72-V94 HydrophobicContact CD1-CG1 4.29Å; I72-V94 HydrophobicContact CG1-CG1 4.07Å; I72-V94 HydrophobicContact CG1-CG2 4.03Å; L75-V94 HydrophobicContact CD1-CG2 4.49Å; L75-V94 HydrophobicContact CD2-CG2 4.42Å; V90-V94 HydrophobicContact CG1-CG2 4.31Å; V90-V94 PolarHBondContact O-N 3.46Å; V91-V94 PolarHBondContact O-N 3.23Å; V94-V97 PolarHBondContact O-N 3.5Å; V94-L98 HydrophobicContact CG1-CD1 3.99Å; V94-L98 HydrophobicContact CG1-CG 4.45Å; V94-L98 VanDerWaalsContact O-CG 3.28Å; V94-L98 WeakPolarHBondContact O-CG 3.44Å; V94-L98 PolarHBondContact O-N 2.97Å; V94-F113 HydrophobicContact CG1-CE2 4.04Å; V94-F113 HydrophobicContact CG1-CZ 4.09Å
95	R	90.9	Very high	90.9	Very high	68 Å²	68	51 Å²	51	26%	0.257	28%	0.275	S	S	.	.	H	α-helix	trans	-65.6	-38.2	176.3	-167.3	-173.9	-64.5	133	2.5	112.7	V91 P92 K93 L98 N99 S130 T134	V91-R95 PolarHBondContact O-N 3.46Å; P92-R95 PolarHBondContact O-N 3.34Å; K93-R95 VanDerWaalsContact C-N 3.34Å; R95-L98 PolarHBondContact O-N 3.48Å; R95-N99 PolarHBondContact O-ND2 2.96Å; R95-S130 PolarHBondContact NH2-O 3.25Å; R95-S130 PolarHBondContact NH2-OG 3.39Å; R95-T134 HydrophobicContact CG-CG2 4.47Å; R95-T134 PolarHBondContact NE-OG1 3.19Å; R95-T134 PolarHBondContact NH2-OG1 3.43Å
96	E	91.2	Very high	91.2	Very high	107 Å²	107	48.7 Å²	48.7	50%	0.5	26%	0.264	S	S	.	.	H	α-helix	trans	-59.7	-48.6	172.6	-73.3	175.1	-141.4	0	0	111.5	P92 K93 L98 N99	P92-E96 PolarHBondContact O-N 3.04Å; K93-E96 WeakPolarHBondContact CD-OE1 3.49Å; K93-E96 WeakPolarHBondContact CD-OE2 3.33Å; K93-E96 IonicContact NZ-OE1 2.64Å; K93-E96 PolarHBondContact NZ-OE1 3.24Å; K93-E96 IonicContact NZ-OE2 3.69Å; K93-E96 PolarHBondContact NZ-OE2 3.49Å; K93-E96 PolarHBondContact O-N 2.91Å; E96-L98 VanDerWaalsContact C-N 3.32Å; E96-L98 PolarHBondContact O-N 3.21Å; E96-N99 PolarHBondContact O-N 3.07Å
97	V	92.6	Very high	91.4	Very high	22 Å²	22	51.2 Å²	51.2	13%	0.133	28%	0.277	C	S	.	.	H	α-helix	trans	-62.1	-35.9	179.5	168.7	0	0	0	0	112.4	L60 R68 I72 K93 V94 N99 A101 I105	L60-V97 HydrophobicContact CB-CG2 4.39Å; L60-V97 HydrophobicContact CD2-CG2 4.14Å; L60-V97 WeakPolarHBondContact O-CG2 3.34Å; R68-V97 HydrophobicContact CB-CG1 4.37Å; I72-V97 HydrophobicContact CD1-CG1 4.14Å; K93-V97 WeakPolarHBondContact O-CG2 3.43Å; K93-V97 PolarHBondContact O-N 3.24Å; V94-V97 PolarHBondContact O-N 3.5Å; V97-N99 VanDerWaalsContact C-N 3.25Å; V97-N99 PolarHBondContact O-N 3.46Å; V97-A101 WeakPolarHBondContact O-CB 3.45Å; V97-I105 HydrophobicContact CG1-CG2 4.19Å
98	L	92.3	Very high	91.8	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-67.6	-19.8	-179.3	-73.7	167.3	0	0	0	114.2	V94 R95 E96 G100 A101 I105 Q106 A109 T134 W150	V94-L98 HydrophobicContact CG1-CD1 3.99Å; V94-L98 HydrophobicContact CG1-CG 4.45Å; V94-L98 VanDerWaalsContact O-CG 3.28Å; V94-L98 WeakPolarHBondContact O-CG 3.44Å; V94-L98 PolarHBondContact O-N 2.97Å; R95-L98 PolarHBondContact O-N 3.48Å; E96-L98 VanDerWaalsContact C-N 3.32Å; E96-L98 PolarHBondContact O-N 3.21Å; L98-G100 PolarHBondContact O-N 2.86Å; L98-A101 PolarHBondContact O-N 3.01Å; L98-I105 HydrophobicContact CD2-CG2 4.12Å; L98-Q106 HydrophobicContact CD2-CG 4.2Å; L98-Q106 PolarHBondContact O-NE2 2.93Å; L98-A109 HydrophobicContact CD1-CB 3.96Å; L98-A109 HydrophobicContact CD2-CB 3.7Å; L98-A109 HydrophobicContact CG-CB 4.33Å; L98-T134 HydrophobicContact CD1-CG2 3.71Å; L98-W150 HydrophobicContact CD1-CH2 4.06Å; L98-W150 HydrophobicContact CD1-CZ2 4.02Å; L98-W150 HydrophobicContact CD2-CZ2 4.31Å
99	N	87.6	Confident	92	Very high	103 Å²	103	43.5 Å²	43.5	55%	0.551	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	91.9	179.2	-68.6	-40.8	0	0	0	111.4	R95 E96 V97	R95-N99 PolarHBondContact O-ND2 2.96Å; E96-N99 PolarHBondContact O-N 3.07Å; V97-N99 VanDerWaalsContact C-N 3.25Å; V97-N99 PolarHBondContact O-N 3.46Å
100	G	82.1	Confident	92.2	Very high	85 Å²	85	39.6 Å²	39.6	88%	0.876	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.5	9.5	-176	0	0	0	0	0	114.4	L98	L98-G100 PolarHBondContact O-N 2.86Å
101	A	89.3	Confident	92.2	Very high	17 Å²	17	43.5 Å²	43.5	14%	0.14	26%	0.261	C	S	.	.			trans	-64.6	150.3	174.4	0	0	0	0	0	113.4	V97 L98 I105 Q106	V97-A101 WeakPolarHBondContact O-CB 3.45Å; L98-A101 PolarHBondContact O-N 3.01Å; A101-I105 HydrophobicContact CB-CB 3.99Å; A101-I105 HydrophobicContact CB-CD1 4.17Å; A101-I105 HydrophobicContact CB-CG2 3.97Å; A101-Q106 HydrophobicContact CB-CG 4.34Å
102	G	91.1	Very high	92.4	Very high	37 Å²	37	43.8 Å²	43.8	38%	0.381	26%	0.263	S	S	.	.			trans	-67.2	165	168.6	0	0	0	0	0	113.4	E104 I105 Q106	G102-E104 VanDerWaalsContact C-N 3.3Å; G102-E104 PolarHBondContact O-N 3.22Å; G102-I105 PolarHBondContact O-N 3.06Å; G102-Q106 PolarHBondContact O-N 2.98Å
103	A	92.6	Very high	92.4	Very high	37 Å²	37	41.6 Å²	41.6	31%	0.306	25%	0.249	S	C	.	.	H	α-helix	trans	-57.5	-37.1	-175.2	0	0	0	0	0	113.5	I105 Q106 L107 V146	A103-I105 PolarHBondContact O-N 3.12Å; A103-Q106 WeakPolarHBondContact O-CB 3.42Å; A103-Q106 PolarHBondContact O-N 3.2Å; A103-L107 WeakPolarHBondContact O-CB 3.28Å; A103-L107 VanDerWaalsContact O-CG 3.26Å; A103-L107 WeakPolarHBondContact O-CG 3.4Å; A103-L107 PolarHBondContact O-N 3.35Å; A103-V146 HydrophobicContact CB-CG2 3.81Å
104	E	92.1	Very high	92.3	Very high	168 Å²	168	40.6 Å²	40.6	79%	0.785	25%	0.246	S	C	*	.	H	α-helix	trans	-60.5	-44.7	-179.7	-61	-170	171.2	0	0	112.6	G102 L107 A108	G102-E104 VanDerWaalsContact C-N 3.3Å; G102-E104 PolarHBondContact O-N 3.22Å; E104-L107 PolarHBondContact O-N 3.45Å; E104-A108 VanDerWaalsContact O-CB 3.31Å; E104-A108 WeakPolarHBondContact O-CB 3.45Å; E104-A108 PolarHBondContact O-N 3.39Å
105	I	94.1	Very high	92.2	Very high	8 Å²	8	42.5 Å²	42.5	4%	0.041	26%	0.258	C	S	.	.	H	α-helix	trans	-67.2	-41.8	177.5	-59.4	176.9	0	0	0	110.7	E65 I72 V97 L98 A101 G102 A103 A108 A109	E65-I105 HydrophobicContact CG-CD1 3.7Å; E65-I105 HydrophobicContact CG-CG1 4.5Å; I72-I105 HydrophobicContact CD1-CG2 3.59Å; V97-I105 HydrophobicContact CG1-CG2 4.19Å; L98-I105 HydrophobicContact CD2-CG2 4.12Å; A101-I105 HydrophobicContact CB-CB 3.99Å; A101-I105 HydrophobicContact CB-CD1 4.17Å; A101-I105 HydrophobicContact CB-CG2 3.97Å; G102-I105 PolarHBondContact O-N 3.06Å; A103-I105 PolarHBondContact O-N 3.12Å; I105-A108 PolarHBondContact O-N 3.26Å; I105-A109 WeakPolarHBondContact O-CB 3.37Å; I105-A109 PolarHBondContact O-N 3.27Å
106	Q	95.4	Very high	92	Very high	3 Å²	3	39.3 Å²	39.3	1%	0.014	25%	0.246	C	C	.	.	H	α-helix	trans	-60.2	-46	177.3	-75.5	-75.7	-11.8	0	0	111.4	L98 A101 G102 A103 A109 A110 H138 V146	L98-Q106 HydrophobicContact CD2-CG 4.2Å; L98-Q106 PolarHBondContact O-NE2 2.93Å; A101-Q106 HydrophobicContact CB-CG 4.34Å; G102-Q106 PolarHBondContact O-N 2.98Å; A103-Q106 WeakPolarHBondContact O-CB 3.42Å; A103-Q106 PolarHBondContact O-N 3.2Å; Q106-A109 PolarHBondContact O-N 2.93Å; Q106-A110 WeakPolarHBondContact O-CB 3.36Å; Q106-A110 PolarHBondContact O-N 2.8Å; Q106-H138 PolarHBondContact NE2-CE1 3.23Å; Q106-V146 HydrophobicContact CB-CG1 3.65Å; Q106-V146 HydrophobicContact CB-CG2 4.01Å; Q106-V146 HydrophobicContact CG-CG1 4.17Å
107	L	95	Very high	91.7	Very high	53 Å²	53	35.1 Å²	35.1	28%	0.277	23%	0.226	S	C	.	.	H	α-helix	trans	-66.8	-41.5	176.2	-67.8	171.9	0	0	0	112.4	A103 E104 A109 A110 T111 V145 V146 A149	A103-L107 WeakPolarHBondContact O-CB 3.28Å; A103-L107 VanDerWaalsContact O-CG 3.26Å; A103-L107 WeakPolarHBondContact O-CG 3.4Å; A103-L107 PolarHBondContact O-N 3.35Å; E104-L107 PolarHBondContact O-N 3.45Å; L107-A109 VanDerWaalsContact C-N 3.32Å; L107-A109 PolarHBondContact O-N 2.98Å; L107-A110 PolarHBondContact O-N 3.35Å; L107-T111 WeakPolarHBondContact O-CB 3.32Å; L107-T111 PolarHBondContact O-N 3.21Å; L107-T111 PolarHBondContact O-OG1 3.2Å; L107-V145 HydrophobicContact CD1-CG1 4.36Å; L107-V145 HydrophobicContact CD2-CG1 4.08Å; L107-V146 HydrophobicContact CD2-CG2 4.24Å; L107-V146 HydrophobicContact CG-CG2 4.13Å; L107-A149 HydrophobicContact CD2-CB 3.64Å
108	A	95.1	Very high	91.3	Very high	19 Å²	19	39.9 Å²	39.9	16%	0.157	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-40.9	174.7	0	0	0	0	0	111.6	I72 E104 I105 S112	I72-A108 HydrophobicContact CG2-CB 4.06Å; E104-A108 VanDerWaalsContact O-CB 3.31Å; E104-A108 WeakPolarHBondContact O-CB 3.45Å; E104-A108 PolarHBondContact O-N 3.39Å; I105-A108 PolarHBondContact O-N 3.26Å; A108-S112 VanDerWaalsContact O-CB 3.26Å; A108-S112 WeakPolarHBondContact O-CB 3.17Å; A108-S112 PolarHBondContact O-N 3.15Å; A108-S112 PolarHBondContact O-OG 3.06Å
109	A	95.8	Very high	90.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-68.3	-47.4	176.7	0	0	0	0	0	112.3	I72 L98 I105 Q106 L107 T111 S112 F113 W150	I72-A109 VanDerWaalsContact CG2-CA 3.46Å; I72-A109 HydrophobicContact CG2-CB 3.77Å; L98-A109 HydrophobicContact CD1-CB 3.96Å; L98-A109 HydrophobicContact CD2-CB 3.7Å; L98-A109 HydrophobicContact CG-CB 4.33Å; I105-A109 WeakPolarHBondContact O-CB 3.37Å; I105-A109 PolarHBondContact O-N 3.27Å; Q106-A109 PolarHBondContact O-N 2.93Å; L107-A109 VanDerWaalsContact C-N 3.32Å; L107-A109 PolarHBondContact O-N 2.98Å; A109-T111 PolarHBondContact O-N 3.12Å; A109-S112 PolarHBondContact O-N 2.87Å; A109-S112 VanDerWaalsContact O-N 3.16Å; A109-F113 HydrophobicContact CB-CD2 4.45Å; A109-F113 HydrophobicContact CB-CE2 4.39Å; A109-F113 WeakPolarHBondContact O-CD2 3.42Å; A109-F113 PolarHBondContact O-N 2.99Å; A109-W150 HydrophobicContact CB-CH2 3.92Å; A109-W150 HydrophobicContact CB-CZ2 3.97Å
110	A	95.3	Very high	89.7	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-56.8	-49.4	176.3	0	0	0	0	0	111.3	Q106 L107 S112 F113 L114 A149 W150 T153	Q106-A110 WeakPolarHBondContact O-CB 3.36Å; Q106-A110 PolarHBondContact O-N 2.8Å; L107-A110 PolarHBondContact O-N 3.35Å; A110-S112 VanDerWaalsContact C-N 3.28Å; A110-S112 PolarHBondContact O-N 3.24Å; A110-F113 PolarHBondContact O-N 2.78Å; A110-L114 VanDerWaalsContact O-CB 3.29Å; A110-L114 WeakPolarHBondContact O-CB 3.49Å; A110-L114 PolarHBondContact O-N 3.48Å; A110-A149 HydrophobicContact CB-CB 3.76Å; A110-W150 HydrophobicContact CB-CD2 3.83Å; A110-W150 HydrophobicContact CB-CE3 3.98Å; A110-W150 HydrophobicContact CB-CG 4.31Å; A110-W150 HydrophobicContact CB-CH2 4.47Å; A110-W150 HydrophobicContact CB-CZ2 4.31Å; A110-W150 HydrophobicContact CB-CZ3 4.3Å; A110-T153 PolarHBondContact O-OG1 3.49Å
111	T	95.4	Very high	88.7	Confident	83 Å²	83	42.4 Å²	42.4	51%	0.509	24%	0.24	S	C	.	.	H	α-helix	trans	-57.9	-40.3	176	-55	0	0	0	0	112.1	L107 A109 T115	L107-T111 WeakPolarHBondContact O-CB 3.32Å; L107-T111 PolarHBondContact O-N 3.21Å; L107-T111 PolarHBondContact O-OG1 3.2Å; A109-T111 PolarHBondContact O-N 3.12Å; T111-T115 WeakPolarHBondContact O-CB 3.37Å; T111-T115 PolarHBondContact O-N 3.06Å; T111-T115 PolarHBondContact O-OG1 3.11Å
112	S	94.1	Very high	87	Confident	5 Å²	5	49.1 Å²	49.1	4%	0.035	27%	0.272	C	S	.	.	H	α-helix	trans	-71.7	-43.8	-179.1	-60.6	0	0	0	0	112.3	I72 A108 A109 A110 T115 I116	I72-S112 WeakPolarHBondContact O-CB 3.39Å; I72-S112 PolarHBondContact O-OG 2.88Å; A108-S112 VanDerWaalsContact O-CB 3.26Å; A108-S112 WeakPolarHBondContact O-CB 3.17Å; A108-S112 PolarHBondContact O-N 3.15Å; A108-S112 PolarHBondContact O-OG 3.06Å; A109-S112 PolarHBondContact O-N 2.87Å; A109-S112 VanDerWaalsContact O-N 3.16Å; A110-S112 VanDerWaalsContact C-N 3.28Å; A110-S112 PolarHBondContact O-N 3.24Å; S112-T115 PolarHBondContact O-N 2.97Å; S112-I116 WeakPolarHBondContact O-CD1 3.42Å; S112-I116 VanDerWaalsContact O-CG1 3.27Å; S112-I116 WeakPolarHBondContact O-CG1 3.16Å; S112-I116 PolarHBondContact O-N 3.31Å
113	F	91.7	Very high	85.4	Confident	1 Å²	1	51.2 Å²	51.2	0%	0.004	27%	0.274	C	S	.	.	H	α-helix	trans	-65.4	-37.7	173.3	-74.1	-62.3	0	0	0	112	L75 V91 V94 A109 A110 I116 L117 I131 T134 W150 T153	L75-F113 HydrophobicContact CD2-CD1 4.43Å; L75-F113 HydrophobicContact CD2-CE1 3.89Å; L75-F113 HydrophobicContact CD2-CZ 4Å; V91-F113 HydrophobicContact CG1-CE1 4.16Å; V91-F113 HydrophobicContact CG1-CZ 4.19Å; V91-F113 HydrophobicContact CG2-CE1 4.38Å; V94-F113 HydrophobicContact CG1-CE2 4.04Å; V94-F113 HydrophobicContact CG1-CZ 4.09Å; A109-F113 HydrophobicContact CB-CD2 4.45Å; A109-F113 HydrophobicContact CB-CE2 4.39Å; A109-F113 WeakPolarHBondContact O-CD2 3.42Å; A109-F113 PolarHBondContact O-N 2.99Å; A110-F113 PolarHBondContact O-N 2.78Å; F113-I116 HydrophobicContact CD1-CD1 4.43Å; F113-I116 PolarHBondContact O-N 3.1Å; F113-L117 VanDerWaalsContact O-CG 3.27Å; F113-L117 WeakPolarHBondContact O-CG 3.26Å; F113-L117 PolarHBondContact O-N 2.82Å; F113-I131 HydrophobicContact CB-CG2 4.13Å; F113-I131 HydrophobicContact CD1-CD1 4.32Å; F113-I131 HydrophobicContact CD1-CG1 4Å; F113-I131 HydrophobicContact CD1-CG2 3.95Å; F113-I131 HydrophobicContact CE1-CG1 4.28Å; F113-I131 HydrophobicContact CG-CG2 4.17Å; F113-T134 HydrophobicContact CE2-CG2 4.28Å; F113-W150 AromaticContact CD2-CH2 3.69Å; F113-W150 HydrophobicContact CD2-CH2 3.69Å; F113-W150 AromaticContact CD2-CZ3 3.75Å; F113-W150 HydrophobicContact CD2-CZ3 3.75Å; F113-W150 HydrophobicContact CE2-CH2 4.06Å; F113-W150 HydrophobicContact CE2-CZ3 4.45Å; F113-T153 HydrophobicContact CB-CG2 3.86Å
114	L	90.9	Very high	83.7	Confident	35 Å²	35	49.9 Å²	49.9	18%	0.183	26%	0.262	C	S	.	.	H	α-helix	trans	-61.5	-43.9	173	178.6	60.1	0	0	0	111.7	A110 L117 Q118 E152 S156	A110-L114 VanDerWaalsContact O-CB 3.29Å; A110-L114 WeakPolarHBondContact O-CB 3.49Å; A110-L114 PolarHBondContact O-N 3.48Å; L114-L117 PolarHBondContact O-N 3.07Å; L114-Q118 HydrophobicContact CD1-CG 4.25Å; L114-Q118 WeakPolarHBondContact O-CB 3.49Å; L114-Q118 VanDerWaalsContact O-CG 3.3Å; L114-Q118 WeakPolarHBondContact O-CG 3.21Å; L114-Q118 PolarHBondContact O-N 3.26Å; L114-E152 HydrophobicContact CD2-CB 4.39Å; L114-S156 VanDerWaalsContact CD1-CB 3.48Å
115	T	90.8	Very high	82.3	Confident	40 Å²	40	48 Å²	48	25%	0.245	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-44.6	175.3	-55.2	0	0	0	0	111.2	P76 T111 S112 L117 Q118 D119	P76-T115 HydrophobicContact CB-CG2 3.89Å; P76-T115 HydrophobicContact CG-CG2 3.94Å; T111-T115 WeakPolarHBondContact O-CB 3.37Å; T111-T115 PolarHBondContact O-N 3.06Å; T111-T115 PolarHBondContact O-OG1 3.11Å; S112-T115 PolarHBondContact O-N 2.97Å; T115-L117 VanDerWaalsContact C-N 3.29Å; T115-L117 PolarHBondContact O-N 3.35Å; T115-Q118 PolarHBondContact O-N 2.96Å; T115-Q118 VanDerWaalsContact O-N 3.12Å; T115-D119 PolarHBondContact O-N 2.95Å
116	I	87.6	Confident	80.9	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-61.3	-36.9	176.9	-71	158.3	0	0	0	111.7	L75 P76 V79 F87 S112 F113 I124 I131	L75-I116 HydrophobicContact CB-CD1 4.32Å; L75-I116 HydrophobicContact CD2-CD1 3.83Å; L75-I116 HydrophobicContact CG-CD1 3.79Å; P76-I116 HydrophobicContact CB-CG1 4.02Å; P76-I116 HydrophobicContact CG-CD1 4.39Å; P76-I116 HydrophobicContact CG-CG1 4.11Å; V79-I116 HydrophobicContact CB-CG1 4.37Å; V79-I116 HydrophobicContact CG1-CG2 4.2Å; V79-I116 HydrophobicContact CG2-CD1 3.9Å; V79-I116 HydrophobicContact CG2-CG1 4.25Å; F87-I116 HydrophobicContact CZ-CG2 4.06Å; S112-I116 WeakPolarHBondContact O-CD1 3.42Å; S112-I116 VanDerWaalsContact O-CG1 3.27Å; S112-I116 WeakPolarHBondContact O-CG1 3.16Å; S112-I116 PolarHBondContact O-N 3.31Å; F113-I116 HydrophobicContact CD1-CD1 4.43Å; F113-I116 PolarHBondContact O-N 3.1Å; I116-I124 WeakPolarHBondContact O-CD1 3.42Å; I116-I131 HydrophobicContact CG2-CD1 4.31Å
117	L	84.4	Confident	79.9	Confident	18 Å²	18	54.6 Å²	54.6	9%	0.094	29%	0.291	C	S	.	.	H	α-helix	trans	-73.3	-27.8	175.7	-69.8	165.9	0	0	0	113	F113 L114 T115 I124 T128 I131 T153 A157	F113-L117 VanDerWaalsContact O-CG 3.27Å; F113-L117 WeakPolarHBondContact O-CG 3.26Å; F113-L117 PolarHBondContact O-N 2.82Å; L114-L117 PolarHBondContact O-N 3.07Å; T115-L117 VanDerWaalsContact C-N 3.29Å; T115-L117 PolarHBondContact O-N 3.35Å; L117-I124 HydrophobicContact CD2-CG2 4.04Å; L117-T128 HydrophobicContact CD2-CG2 4.27Å; L117-I131 HydrophobicContact CD1-CG2 4.3Å; L117-I131 HydrophobicContact CD2-CD1 4.05Å; L117-I131 HydrophobicContact CG-CD1 4.38Å; L117-T153 HydrophobicContact CD1-CG2 3.89Å; L117-T153 WeakPolarHBondContact CD1-O 3.27Å; L117-A157 HydrophobicContact CD1-CB 3.88Å; L117-A157 HydrophobicContact CD2-CB 4.33Å
118	Q	85.6	Confident	78.9	Confident	122 Å²	122	52.2 Å²	52.2	57%	0.57	28%	0.278	S	S	*	.	H	α-helix	trans	-85.8	-24.5	-178.5	-75.6	175.8	-14.1	0	0	114.3	L114 T115 D120	L114-Q118 HydrophobicContact CD1-CG 4.25Å; L114-Q118 WeakPolarHBondContact O-CB 3.49Å; L114-Q118 VanDerWaalsContact O-CG 3.3Å; L114-Q118 WeakPolarHBondContact O-CG 3.21Å; L114-Q118 PolarHBondContact O-N 3.26Å; T115-Q118 PolarHBondContact O-N 2.96Å; T115-Q118 VanDerWaalsContact O-N 3.12Å; Q118-D120 PolarHBondContact O-N 3.27Å; Q118-D120 VanDerWaalsContact O-N 3.15Å
119	D	80.9	Confident	77.9	Confident	61 Å²	61	56.2 Å²	56.2	33%	0.326	29%	0.29	S	S	.	.	S	Bend	trans	-69.2	-5.1	-179.7	-82.7	-7.5	0	0	0	114.3	R80 T115 I121	R80-D119 IonicContact CZ-OD2 2.99Å; R80-D119 IonicContact NE-OD2 3.23Å; R80-D119 PolarHBondContact NE-OD2 2.97Å; R80-D119 IonicContact NH2-OD1 2.75Å; R80-D119 PolarHBondContact NH2-OD1 3.41Å; R80-D119 IonicContact NH2-OD2 3.87Å; R80-D119 PolarHBondContact NH2-OD2 2.86Å; T115-D119 PolarHBondContact O-N 2.95Å; D119-I121 HydrophobicContact CB-CD1 4.01Å; D119-I121 HydrophobicContact CB-CG1 3.82Å; D119-I121 PolarHBondContact O-N 3.23Å; D119-I121 VanDerWaalsContact O-N 3.09Å
120	D	63.8	Low	77.1	Confident	137 Å²	137	57.9 Å²	57.9	73%	0.733	30%	0.302	S	S	*	.			trans	50.6	34.2	176.1	-150.4	22.6	0	0	0	114.7	Q118 I122	Q118-D120 PolarHBondContact O-N 3.27Å; Q118-D120 VanDerWaalsContact O-N 3.15Å; D120-I122 PolarHBondContact O-N 2.95Å
121	I	62.1	Low	76.5	Confident	45 Å²	45	57.8 Å²	57.8	23%	0.231	30%	0.301	C	S	.	.			trans	-72	120.4	179.5	-52.3	178.5	0	0	0	108.9	R80 D119 L123 I124	R80-I121 HydrophobicContact CG-CD1 3.76Å; D119-I121 HydrophobicContact CB-CD1 4.01Å; D119-I121 HydrophobicContact CB-CG1 3.82Å; D119-I121 PolarHBondContact O-N 3.23Å; D119-I121 VanDerWaalsContact O-N 3.09Å; I121-L123 PolarHBondContact O-N 2.8Å; I121-I124 HydrophobicContact CB-CD1 4.22Å; I121-I124 HydrophobicContact CB-CG1 4.46Å; I121-I124 WeakPolarHBondContact O-CB 3.48Å; I121-I124 VanDerWaalsContact O-CD1 3.32Å; I121-I124 WeakPolarHBondContact O-CD1 3.46Å; I121-I124 WeakPolarHBondContact O-CG1 3.39Å; I121-I124 PolarHBondContact O-N 2.81Å
122	I	53.5	Low	76.1	Confident	157 Å²	157	53.9 Å²	53.9	81%	0.805	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-15.5	-167.6	-67.1	160.7	0	0	0	115.6	D120	D120-I122 PolarHBondContact O-N 2.95Å
123	L	56.3	Low	75.7	Confident	81 Å²	81	58.2 Å²	58.2	42%	0.424	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-5.6	173.9	-76.6	87.2	0	0	0	114.9	P83 I121 H125 T126	P83-L123 HydrophobicContact CG-CD2 4.03Å; I121-L123 PolarHBondContact O-N 2.8Å; L123-H125 VanDerWaalsContact C-N 3.29Å; L123-H125 PolarHBondContact O-N 2.75Å; L123-T126 PolarHBondContact O-N 3.22Å; L123-T126 PolarHBondContact O-OG1 3.42Å
124	I	58	Low	75.5	Confident	10 Å²	10	58.2 Å²	58.2	5%	0.051	30%	0.295	C	S	.	.	H	α-helix	trans	-55.9	-42.6	-175.1	-72.7	158	0	0	0	111.7	I116 L117 I121 T126 H127 T128	I116-I124 WeakPolarHBondContact O-CD1 3.42Å; L117-I124 HydrophobicContact CD2-CG2 4.04Å; I121-I124 HydrophobicContact CB-CD1 4.22Å; I121-I124 HydrophobicContact CB-CG1 4.46Å; I121-I124 WeakPolarHBondContact O-CB 3.48Å; I121-I124 VanDerWaalsContact O-CD1 3.32Å; I121-I124 WeakPolarHBondContact O-CD1 3.46Å; I121-I124 WeakPolarHBondContact O-CG1 3.39Å; I121-I124 PolarHBondContact O-N 2.81Å; I124-T126 PolarHBondContact O-N 2.94Å; I124-T126 VanDerWaalsContact O-N 3.08Å; I124-H127 CarbonylContact O-C 3.58Å; I124-H127 WeakPolarHBondContact O-CA 3.5Å; I124-H127 PolarHBondContact O-N 3.41Å; I124-T128 PolarHBondContact O-N 2.77Å; I124-T128 PolarHBondContact O-OG1 2.98Å
125	H	61.8	Low	75.5	Confident	128 Å²	128	56.5 Å²	56.5	59%	0.593	29%	0.286	S	S	*	.	H	α-helix	trans	-55.4	-30.3	-175.1	-63.3	-66.7	0	0	0	115.1	L123 H127 T128 A160	L123-H125 VanDerWaalsContact C-N 3.29Å; L123-H125 PolarHBondContact O-N 2.75Å; H125-H127 VanDerWaalsContact C-N 3.29Å; H125-T128 WeakPolarHBondContact CA-OG1 3.44Å; H125-A160 PolarHBondContact ND1-O 3.16Å
126	T	66.1	Low	75.3	Confident	105 Å²	105	56.3 Å²	56.3	64%	0.644	28%	0.284	S	S	*	.	H	α-helix	trans	-77.1	-16.9	176.6	54.9	0	0	0	0	113.1	L123 I124	L123-T126 PolarHBondContact O-N 3.22Å; L123-T126 PolarHBondContact O-OG1 3.42Å; I124-T126 PolarHBondContact O-N 2.94Å; I124-T126 VanDerWaalsContact O-N 3.08Å
127	H	73.1	Confident	75.3	Confident	45 Å²	45	60.9 Å²	60.9	21%	0.208	31%	0.308	C	S	.	.	H	α-helix	trans	-118.8	-10.9	-174	-59.9	-52.7	0	0	0	114	F87 I124 H125 Y129 S130 I131	F87-H127 HydrophobicContact CD1-CB 3.69Å; F87-H127 AromaticContact CD1-CG 3.98Å; F87-H127 HydrophobicContact CD2-CB 3.87Å; F87-H127 AromaticContact CD2-CD2 3.29Å; F87-H127 WeakPolarHBondContact CD2-CD2 3.26Å; F87-H127 AromaticContact CD2-CG 3.58Å; F87-H127 AromaticContact CD2-NE2 3.98Å; F87-H127 HydrophobicContact CE1-CB 3.76Å; F87-H127 HydrophobicContact CE2-CB 3.93Å; F87-H127 AromaticContact CE2-CD2 3.84Å; F87-H127 HydrophobicContact CG-CB 3.77Å; F87-H127 AromaticContact CG-CD2 3.69Å; F87-H127 AromaticContact CG-CG 3.53Å; F87-H127 AromaticContact CG-ND1 3.99Å; F87-H127 HydrophobicContact CZ-CB 3.88Å; I124-H127 CarbonylContact O-C 3.58Å; I124-H127 WeakPolarHBondContact O-CA 3.5Å; I124-H127 PolarHBondContact O-N 3.41Å; H125-H127 VanDerWaalsContact C-N 3.29Å; H127-Y129 PolarHBondContact O-N 3.31Å; H127-Y129 VanDerWaalsContact O-N 3.07Å; H127-S130 WeakPolarHBondContact O-CB 3.05Å; H127-S130 PolarHBondContact O-N 3.18Å; H127-I131 PolarHBondContact O-N 3.48Å
128	T	73.7	Confident	75.5	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.018	31%	0.306	C	S	.	.	H	α-helix	trans	-51.5	-34.9	176.4	-37.9	0	0	0	0	112.1	L117 I124 H125 S130 I131 L132 A157 A160 L161	L117-T128 HydrophobicContact CD2-CG2 4.27Å; I124-T128 PolarHBondContact O-N 2.77Å; I124-T128 PolarHBondContact O-OG1 2.98Å; H125-T128 WeakPolarHBondContact CA-OG1 3.44Å; T128-S130 PolarHBondContact O-N 2.79Å; T128-I131 PolarHBondContact O-N 3.48Å; T128-L132 VanDerWaalsContact O-CB 3.26Å; T128-L132 WeakPolarHBondContact O-CB 3.46Å; T128-L132 PolarHBondContact O-N 3.44Å; T128-A157 HydrophobicContact CG2-CB 4.41Å; T128-A160 HydrophobicContact CG2-CB 4.48Å; T128-L161 HydrophobicContact CG2-CD2 3.56Å; T128-L161 HydrophobicContact CG2-CG 3.9Å
129	Y	75.8	Confident	75.6	Confident	102 Å²	102	55.3 Å²	55.3	40%	0.4	28%	0.281	S	S	.	.	H	α-helix	trans	-63.9	-35.3	176.5	-170.9	-115.1	0	0	0	113.8	H127 K133 T165 E169	H127-Y129 PolarHBondContact O-N 3.31Å; H127-Y129 VanDerWaalsContact O-N 3.07Å; Y129-K133 HydrophobicContact CE1-CD 4.25Å; Y129-K133 PolarHBondContact O-N 3.01Å; Y129-K133 WeakPolarHBondContact OH-CE 3.29Å; Y129-K133 PolarHBondContact OH-NZ 3.29Å; Y129-T165 HydrophobicContact CD2-CG2 4.04Å; Y129-T165 HydrophobicContact CE2-CG2 4.35Å; Y129-E169 HydrophobicContact CE2-CG 4.11Å; Y129-E169 WeakPolarHBondContact CE2-OE1 3.09Å; Y129-E169 VanDerWaalsContact CZ-OE1 3.26Å; Y129-E169 PolarHBondContact OH-OE1 3.41Å
130	S	78.4	Confident	75.8	Confident	35 Å²	35	56.4 Å²	56.4	25%	0.245	29%	0.287	C	S	.	.	H	α-helix	trans	-74.2	-37.1	175.6	-163.8	0	0	0	0	111.3	R95 H127 T128 T134	R95-S130 PolarHBondContact NH2-O 3.25Å; R95-S130 PolarHBondContact NH2-OG 3.39Å; H127-S130 WeakPolarHBondContact O-CB 3.05Å; H127-S130 PolarHBondContact O-N 3.18Å; T128-S130 PolarHBondContact O-N 2.79Å; S130-T134 PolarHBondContact O-N 3.08Å; S130-T134 PolarHBondContact O-OG1 2.95Å
131	I	83.3	Confident	77.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.4	-50.5	171.9	-57.7	175.7	0	0	0	109.4	F87 F113 I116 L117 H127 T128 K133 T134 V135	F87-I131 HydrophobicContact CE1-CD1 4Å; F87-I131 HydrophobicContact CE1-CG1 3.96Å; F87-I131 HydrophobicContact CZ-CD1 4.07Å; F113-I131 HydrophobicContact CB-CG2 4.13Å; F113-I131 HydrophobicContact CD1-CD1 4.32Å; F113-I131 HydrophobicContact CD1-CG1 4Å; F113-I131 HydrophobicContact CD1-CG2 3.95Å; F113-I131 HydrophobicContact CE1-CG1 4.28Å; F113-I131 HydrophobicContact CG-CG2 4.17Å; I116-I131 HydrophobicContact CG2-CD1 4.31Å; L117-I131 HydrophobicContact CD1-CG2 4.3Å; L117-I131 HydrophobicContact CD2-CD1 4.05Å; L117-I131 HydrophobicContact CG-CD1 4.38Å; H127-I131 PolarHBondContact O-N 3.48Å; T128-I131 PolarHBondContact O-N 3.48Å; I131-K133 VanDerWaalsContact C-N 3.31Å; I131-K133 PolarHBondContact O-N 2.77Å; I131-T134 WeakPolarHBondContact O-CA 3.35Å; I131-T134 WeakPolarHBondContact O-CB 3.15Å; I131-T134 PolarHBondContact O-N 3.2Å; I131-V135 HydrophobicContact CG2-CG2 3.92Å; I131-V135 WeakPolarHBondContact O-CG2 3.37Å; I131-V135 PolarHBondContact O-N 2.89Å
132	L	86.7	Confident	78.3	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-52.6	-44.4	-179.5	-179.5	62.8	0	0	0	112.5	T128 T134 V135 L136 L154 L161 T165 E169 V170	T128-L132 VanDerWaalsContact O-CB 3.26Å; T128-L132 WeakPolarHBondContact O-CB 3.46Å; T128-L132 PolarHBondContact O-N 3.44Å; L132-T134 VanDerWaalsContact C-N 3.32Å; L132-T134 PolarHBondContact O-N 2.97Å; L132-V135 PolarHBondContact O-N 3.33Å; L132-L136 HydrophobicContact CD1-CD1 3.81Å; L132-L136 HydrophobicContact CD1-CD2 4.27Å; L132-L136 HydrophobicContact CD1-CG 3.79Å; L132-L136 HydrophobicContact CD2-CD1 4.39Å; L132-L136 HydrophobicContact CG-CD1 3.74Å; L132-L136 HydrophobicContact CG-CG 4.17Å; L132-L136 WeakPolarHBondContact O-CB 3.45Å; L132-L136 WeakPolarHBondContact O-CG 3.47Å; L132-L136 PolarHBondContact O-N 3.08Å; L132-L154 HydrophobicContact CD1-CD1 3.53Å; L132-L161 HydrophobicContact CD1-CD1 4.11Å; L132-L161 HydrophobicContact CD2-CD1 3.9Å; L132-L161 HydrophobicContact CD2-CD2 4.06Å; L132-T165 HydrophobicContact CD2-CG2 3.81Å; L132-E169 HydrophobicContact CD2-CB 3.98Å; L132-V170 HydrophobicContact CD1-CG2 4.09Å
133	K	84.6	Confident	80	Confident	96 Å²	96	57.9 Å²	57.9	42%	0.417	28%	0.276	S	S	.	.	H	α-helix	trans	-63.5	-33.3	176.9	-77.7	-170.2	170.7	177.3	0	114.1	Y129 I131 L137	Y129-K133 HydrophobicContact CE1-CD 4.25Å; Y129-K133 PolarHBondContact O-N 3.01Å; Y129-K133 WeakPolarHBondContact OH-CE 3.29Å; Y129-K133 PolarHBondContact OH-NZ 3.29Å; I131-K133 VanDerWaalsContact C-N 3.31Å; I131-K133 PolarHBondContact O-N 2.77Å; K133-L137 WeakPolarHBondContact O-CB 3.31Å; K133-L137 PolarHBondContact O-N 3.21Å
134	T	88.1	Confident	81.7	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-72.8	-41.8	173.2	-52.5	0	0	0	0	110.9	R95 L98 F113 S130 I131 L132 L137 H138 W150	R95-T134 HydrophobicContact CG-CG2 4.47Å; R95-T134 PolarHBondContact NE-OG1 3.19Å; R95-T134 PolarHBondContact NH2-OG1 3.43Å; L98-T134 HydrophobicContact CD1-CG2 3.71Å; F113-T134 HydrophobicContact CE2-CG2 4.28Å; S130-T134 PolarHBondContact O-N 3.08Å; S130-T134 PolarHBondContact O-OG1 2.95Å; I131-T134 WeakPolarHBondContact O-CA 3.35Å; I131-T134 WeakPolarHBondContact O-CB 3.15Å; I131-T134 PolarHBondContact O-N 3.2Å; L132-T134 VanDerWaalsContact C-N 3.32Å; L132-T134 PolarHBondContact O-N 2.97Å; T134-L137 PolarHBondContact O-N 3.26Å; T134-H138 PolarHBondContact O-CD2 2.96Å; T134-H138 VanDerWaalsContact O-CD2 3.24Å; T134-H138 PolarHBondContact O-N 3.04Å; T134-W150 HydrophobicContact CG2-CH2 3.97Å; T134-W150 HydrophobicContact CG2-CZ3 4.39Å
135	V	90.1	Very high	83.3	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.7	-49.1	179.8	174.9	0	0	0	0	111.7	I131 L132 L137 H138 L139 W150 T153 L154	I131-V135 HydrophobicContact CG2-CG2 3.92Å; I131-V135 WeakPolarHBondContact O-CG2 3.37Å; I131-V135 PolarHBondContact O-N 2.89Å; L132-V135 PolarHBondContact O-N 3.33Å; V135-L137 VanDerWaalsContact C-N 3.29Å; V135-L137 PolarHBondContact O-N 3.44Å; V135-H138 PolarHBondContact O-N 3.21Å; V135-L139 HydrophobicContact CG1-CD1 4.34Å; V135-L139 PolarHBondContact O-N 3.49Å; V135-W150 HydrophobicContact CB-CE3 4.27Å; V135-W150 HydrophobicContact CG1-CE3 4.47Å; V135-W150 WeakPolarHBondContact CG1-O 3.48Å; V135-W150 HydrophobicContact CG2-CE3 3.84Å; V135-W150 HydrophobicContact CG2-CZ3 3.94Å; V135-T153 HydrophobicContact CG2-CG2 3.65Å; V135-L154 HydrophobicContact CG1-CB 3.65Å; V135-L154 HydrophobicContact CG1-CD1 4.26Å; V135-L154 HydrophobicContact CG1-CG 4.44Å
136	L	88.1	Confident	84.9	Confident	35 Å²	35	55.3 Å²	55.3	18%	0.183	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-33.5	-179.9	-69.2	172.6	0	0	0	112.7	L132 H138 L139 L154 E169	L132-L136 HydrophobicContact CD1-CD1 3.81Å; L132-L136 HydrophobicContact CD1-CD2 4.27Å; L132-L136 HydrophobicContact CD1-CG 3.79Å; L132-L136 HydrophobicContact CD2-CD1 4.39Å; L132-L136 HydrophobicContact CG-CD1 3.74Å; L132-L136 HydrophobicContact CG-CG 4.17Å; L132-L136 WeakPolarHBondContact O-CB 3.45Å; L132-L136 WeakPolarHBondContact O-CG 3.47Å; L132-L136 PolarHBondContact O-N 3.08Å; L136-H138 VanDerWaalsContact C-N 3.32Å; L136-H138 PolarHBondContact O-N 3Å; L136-L139 HydrophobicContact CD2-CD2 4.46Å; L136-L154 HydrophobicContact CD2-CD1 4.41Å; L136-L154 HydrophobicContact CD2-CD2 4.28Å; L136-E169 HydrophobicContact CD1-CB 4.22Å; L136-E169 VanDerWaalsContact CD1-O 3.24Å; L136-E169 WeakPolarHBondContact CD1-O 3.26Å
137	L	87.3	Confident	86.1	Confident	98 Å²	98	51 Å²	51	51%	0.513	25%	0.247	S	C	.	.	H	α-helix	trans	-63.8	-35.9	177.4	-179.6	63.2	0	0	0	112.5	K133 T134 V135	K133-L137 WeakPolarHBondContact O-CB 3.31Å; K133-L137 PolarHBondContact O-N 3.21Å; T134-L137 PolarHBondContact O-N 3.26Å; V135-L137 VanDerWaalsContact C-N 3.29Å; V135-L137 PolarHBondContact O-N 3.44Å
138	H	89.4	Confident	87.1	Confident	13 Å²	13	51.2 Å²	51.2	6%	0.06	25%	0.254	C	S	.	.	H	α-helix	trans	-104	0.7	-176.7	-56.5	-53.6	0	0	0	113.9	Q106 T134 V135 L136 N140 H141 W150	Q106-H138 PolarHBondContact NE2-CE1 3.23Å; T134-H138 PolarHBondContact O-CD2 2.96Å; T134-H138 VanDerWaalsContact O-CD2 3.24Å; T134-H138 PolarHBondContact O-N 3.04Å; V135-H138 PolarHBondContact O-N 3.21Å; L136-H138 VanDerWaalsContact C-N 3.32Å; L136-H138 PolarHBondContact O-N 3Å; H138-N140 PolarHBondContact O-N 3.28Å; H138-H141 VanDerWaalsContact O-CB 3.24Å; H138-H141 WeakPolarHBondContact O-CB 3.37Å; H138-H141 PolarHBondContact O-N 3.25Å; H138-H141 VanDerWaalsContact O-N 3.09Å; H138-W150 HydrophobicContact CB-CD2 4.05Å; H138-W150 HydrophobicContact CB-CG 3.82Å; H138-W150 HydrophobicContact CB-CZ2 4.49Å; H138-W150 VanDerWaalsContact CB-NE1 3.32Å; H138-W150 AromaticContact CD2-CE2 3.98Å; H138-W150 AromaticContact CD2-CZ2 3.85Å; H138-W150 AromaticContact CG-NE1 3.95Å
139	L	87.7	Confident	88.1	Confident	9 Å²	9	52 Å²	52	5%	0.047	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-31.6	178.1	-153.7	76.8	0	0	0	113.2	V135 L136 S147 L151 L154 I193	V135-L139 HydrophobicContact CG1-CD1 4.34Å; V135-L139 PolarHBondContact O-N 3.49Å; L136-L139 HydrophobicContact CD2-CD2 4.46Å; L139-S147 WeakPolarHBondContact O-CB 3.44Å; L139-L151 HydrophobicContact CD1-CB 4.32Å; L139-L151 HydrophobicContact CD1-CD1 4.48Å; L139-L154 HydrophobicContact CD1-CB 4.14Å; L139-L154 HydrophobicContact CD1-CD2 3.74Å; L139-L154 HydrophobicContact CD2-CD2 3.77Å; L139-L154 HydrophobicContact CG-CD2 4.44Å; L139-I193 HydrophobicContact CD2-CD1 3.98Å
140	N	83.9	Confident	89.1	Confident	84 Å²	84	47.2 Å²	47.2	45%	0.449	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	33.7	177.2	-66.2	-79.9	0	0	0	112.2	H138 Q177	H138-N140 PolarHBondContact O-N 3.28Å; N140-Q177 PolarHBondContact ND2-NE2 3Å
141	H	90.2	Very high	89.8	Confident	60 Å²	60	46 Å²	46	28%	0.278	23%	0.233	S	C	.	.			trans	-63.1	149.2	176	-169.5	-99.8	0	0	0	112	H138 D143 V146	H138-H141 VanDerWaalsContact O-CB 3.24Å; H138-H141 WeakPolarHBondContact O-CB 3.37Å; H138-H141 PolarHBondContact O-N 3.25Å; H138-H141 VanDerWaalsContact O-N 3.09Å; H141-D143 WeakPolarHBondContact ND1-CB 3.29Å; H141-D143 PolarHBondContact ND1-N 3.46Å; H141-D143 VanDerWaalsContact ND1-N 3.17Å; H141-V146 HydrophobicContact CB-CB 4.4Å; H141-V146 HydrophobicContact CB-CG1 3.82Å; H141-V146 WeakPolarHBondContact ND1-CB 3.45Å; H141-V146 WeakPolarHBondContact ND1-CG1 3.5Å
142	R	87.4	Confident	90.4	Very high	250 Å²	250	49.4 Å²	49.4	94%	0.943	25%	0.249	S	C	*	.	S	Bend	trans	-70.2	-33.2	-175.1	-67.3	-176.6	178.8	-179.4	-0.2	113.5
143	D	90.7	Very high	90.7	Very high	60 Å²	60	49.3 Å²	49.3	32%	0.321	25%	0.249	S	C	.	.	S	Bend	trans	-78.7	125.3	170.4	-178.7	-55.5	0	0	0	109.2	H141 V145 V146 S147	H141-D143 WeakPolarHBondContact ND1-CB 3.29Å; H141-D143 PolarHBondContact ND1-N 3.46Å; H141-D143 VanDerWaalsContact ND1-N 3.17Å; D143-V145 WeakPolarHBondContact OD1-CA 3.09Å; D143-V145 WeakPolarHBondContact OD1-CB 3.35Å; D143-V145 PolarHBondContact OD1-N 3.09Å; D143-V146 HydrophobicContact CB-CB 4.08Å; D143-V146 HydrophobicContact CB-CG2 3.95Å; D143-V146 PolarHBondContact O-N 3.25Å; D143-V146 PolarHBondContact OD1-N 3.02Å; D143-S147 PolarHBondContact O-N 3.36Å; D143-S147 PolarHBondContact O-OG 2.94Å
144	T	90.4	Very high	91.1	Very high	75 Å²	75	44.8 Å²	44.8	46%	0.46	23%	0.229	S	C	.	.	H	α-helix	trans	-75.1	-24.7	-174.5	54.7	0	0	0	0	113.8	S147 S148 Q185	T144-S147 WeakPolarHBondContact CA-OG 3.46Å; T144-S147 PolarHBondContact O-OG 2.86Å; T144-S148 WeakPolarHBondContact O-CB 3.24Å; T144-S148 PolarHBondContact O-N 3.33Å; T144-S148 VanDerWaalsContact O-N 3.09Å; T144-Q185 HydrophobicContact CG2-CG 3.93Å
145	V	93.4	Very high	91.3	Very high	90 Å²	90	45.5 Å²	45.5	55%	0.545	23%	0.233	S	C	.	.	H	α-helix	trans	-72.9	-41.5	174.1	-168.6	0	0	0	0	109	L107 D143 A149	L107-V145 HydrophobicContact CD1-CG1 4.36Å; L107-V145 HydrophobicContact CD2-CG1 4.08Å; D143-V145 WeakPolarHBondContact OD1-CA 3.09Å; D143-V145 WeakPolarHBondContact OD1-CB 3.35Å; D143-V145 PolarHBondContact OD1-N 3.09Å; V145-A149 PolarHBondContact O-N 3.24Å
146	V	94.1	Very high	91.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.1	-49.9	175.1	172.3	0	0	0	0	112	A103 Q106 L107 H141 D143 S148 A149 W150	A103-V146 HydrophobicContact CB-CG2 3.81Å; Q106-V146 HydrophobicContact CB-CG1 3.65Å; Q106-V146 HydrophobicContact CB-CG2 4.01Å; Q106-V146 HydrophobicContact CG-CG1 4.17Å; L107-V146 HydrophobicContact CD2-CG2 4.24Å; L107-V146 HydrophobicContact CG-CG2 4.13Å; H141-V146 HydrophobicContact CB-CB 4.4Å; H141-V146 HydrophobicContact CB-CG1 3.82Å; H141-V146 WeakPolarHBondContact ND1-CB 3.45Å; H141-V146 WeakPolarHBondContact ND1-CG1 3.5Å; D143-V146 HydrophobicContact CB-CB 4.08Å; D143-V146 HydrophobicContact CB-CG2 3.95Å; D143-V146 PolarHBondContact O-N 3.25Å; D143-V146 PolarHBondContact OD1-N 3.02Å; V146-S148 VanDerWaalsContact C-N 3.31Å; V146-S148 PolarHBondContact O-N 3.28Å; V146-A149 PolarHBondContact O-N 3.4Å; V146-W150 PolarHBondContact O-N 2.86Å; V146-W150 VanDerWaalsContact O-N 3.07Å
147	S	92.4	Very high	91.4	Very high	14 Å²	14	45 Å²	45	10%	0.098	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-36.7	179.5	57.2	0	0	0	0	112.2	L139 D143 T144 W150 L151	L139-S147 WeakPolarHBondContact O-CB 3.44Å; D143-S147 PolarHBondContact O-N 3.36Å; D143-S147 PolarHBondContact O-OG 2.94Å; T144-S147 WeakPolarHBondContact CA-OG 3.46Å; T144-S147 PolarHBondContact O-OG 2.86Å; S147-W150 PolarHBondContact O-N 2.82Å; S147-L151 WeakPolarHBondContact O-CB 3.39Å; S147-L151 PolarHBondContact O-N 2.82Å
148	S	93.6	Very high	91.5	Very high	50 Å²	50	40.4 Å²	40.4	35%	0.35	21%	0.208	S	C	.	.	H	α-helix	trans	-61.6	-44.2	172.5	-172.9	0	0	0	0	112.5	T144 V146 W150 L151 E152	T144-S148 WeakPolarHBondContact O-CB 3.24Å; T144-S148 PolarHBondContact O-N 3.33Å; T144-S148 VanDerWaalsContact O-N 3.09Å; V146-S148 VanDerWaalsContact C-N 3.31Å; V146-S148 PolarHBondContact O-N 3.28Å; S148-W150 PolarHBondContact O-N 3.46Å; S148-L151 WeakPolarHBondContact O-CB 3.34Å; S148-L151 PolarHBondContact O-N 3.48Å; S148-L151 VanDerWaalsContact O-N 3.12Å; S148-E152 PolarHBondContact O-N 2.97Å
149	A	95.3	Very high	91.3	Very high	21 Å²	21	43.5 Å²	43.5	17%	0.174	23%	0.225	C	C	.	.	H	α-helix	trans	-63.5	-39	176.6	0	0	0	0	0	112.8	L107 A110 V145 V146 T153	L107-A149 HydrophobicContact CD2-CB 3.64Å; A110-A149 HydrophobicContact CB-CB 3.76Å; V145-A149 PolarHBondContact O-N 3.24Å; V146-A149 PolarHBondContact O-N 3.4Å; A149-T153 PolarHBondContact O-N 3.26Å; A149-T153 PolarHBondContact O-OG1 3.04Å
150	W	95	Very high	91.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-68.8	-33.2	172.3	-72.7	116.7	0	0	0	112.6	L98 A109 A110 F113 T134 V135 H138 V146 S147 S148 T153 L154	L98-W150 HydrophobicContact CD1-CH2 4.06Å; L98-W150 HydrophobicContact CD1-CZ2 4.02Å; L98-W150 HydrophobicContact CD2-CZ2 4.31Å; A109-W150 HydrophobicContact CB-CH2 3.92Å; A109-W150 HydrophobicContact CB-CZ2 3.97Å; A110-W150 HydrophobicContact CB-CD2 3.83Å; A110-W150 HydrophobicContact CB-CE3 3.98Å; A110-W150 HydrophobicContact CB-CG 4.31Å; A110-W150 HydrophobicContact CB-CH2 4.47Å; A110-W150 HydrophobicContact CB-CZ2 4.31Å; A110-W150 HydrophobicContact CB-CZ3 4.3Å; F113-W150 AromaticContact CD2-CH2 3.69Å; F113-W150 HydrophobicContact CD2-CH2 3.69Å; F113-W150 AromaticContact CD2-CZ3 3.75Å; F113-W150 HydrophobicContact CD2-CZ3 3.75Å; F113-W150 HydrophobicContact CE2-CH2 4.06Å; F113-W150 HydrophobicContact CE2-CZ3 4.45Å; T134-W150 HydrophobicContact CG2-CH2 3.97Å; T134-W150 HydrophobicContact CG2-CZ3 4.39Å; V135-W150 HydrophobicContact CB-CE3 4.27Å; V135-W150 HydrophobicContact CG1-CE3 4.47Å; V135-W150 WeakPolarHBondContact CG1-O 3.48Å; V135-W150 HydrophobicContact CG2-CE3 3.84Å; V135-W150 HydrophobicContact CG2-CZ3 3.94Å; H138-W150 HydrophobicContact CB-CD2 4.05Å; H138-W150 HydrophobicContact CB-CG 3.82Å; H138-W150 HydrophobicContact CB-CZ2 4.49Å; H138-W150 VanDerWaalsContact CB-NE1 3.32Å; H138-W150 AromaticContact CD2-CE2 3.98Å; H138-W150 AromaticContact CD2-CZ2 3.85Å; H138-W150 AromaticContact CG-NE1 3.95Å; V146-W150 PolarHBondContact O-N 2.86Å; V146-W150 VanDerWaalsContact O-N 3.07Å; S147-W150 PolarHBondContact O-N 2.82Å; S148-W150 PolarHBondContact O-N 3.46Å; W150-T153 HydrophobicContact CE3-CG2 4.43Å; W150-T153 WeakPolarHBondContact O-CB 3.35Å; W150-T153 PolarHBondContact O-N 3.16Å; W150-L154 PolarHBondContact O-N 3.27Å
151	L	94.4	Very high	91.3	Very high	11 Å²	11	40.5 Å²	40.5	6%	0.058	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-47.4	172.6	176.9	61.7	0	0	0	111.7	L139 S147 S148 T153 L154 L155 A189 R192 I193	L139-L151 HydrophobicContact CD1-CB 4.32Å; L139-L151 HydrophobicContact CD1-CD1 4.48Å; S147-L151 WeakPolarHBondContact O-CB 3.39Å; S147-L151 PolarHBondContact O-N 2.82Å; S148-L151 WeakPolarHBondContact O-CB 3.34Å; S148-L151 PolarHBondContact O-N 3.48Å; S148-L151 VanDerWaalsContact O-N 3.12Å; L151-T153 PolarHBondContact O-N 3Å; L151-L154 WeakPolarHBondContact O-CB 3.17Å; L151-L154 PolarHBondContact O-N 2.89Å; L151-L155 HydrophobicContact CD1-CD1 4.15Å; L151-L155 HydrophobicContact CD1-CD2 4.28Å; L151-L155 HydrophobicContact CD1-CG 4.03Å; L151-L155 HydrophobicContact CG-CD1 3.98Å; L151-L155 HydrophobicContact CG-CG 4.31Å; L151-L155 VanDerWaalsContact O-CG 3.27Å; L151-L155 WeakPolarHBondContact O-CG 3.25Å; L151-L155 PolarHBondContact O-N 2.87Å; L151-A189 HydrophobicContact CD1-CB 4.22Å; L151-A189 HydrophobicContact CD2-CB 3.9Å; L151-R192 HydrophobicContact CD2-CB 4.49Å; L151-I193 HydrophobicContact CD1-CD1 3.91Å; L151-I193 HydrophobicContact CD1-CG1 3.66Å
152	E	95.1	Very high	91.2	Very high	70 Å²	70	40.9 Å²	40.9	33%	0.327	22%	0.22	S	C	.	.	H	α-helix	trans	-57.9	-38.2	174.1	-58.9	-51.7	156.4	0	0	111.8	L114 S148 L154 L155 S156 R192	L114-E152 HydrophobicContact CD2-CB 4.39Å; S148-E152 PolarHBondContact O-N 2.97Å; E152-L154 PolarHBondContact O-N 3.48Å; E152-L155 PolarHBondContact O-N 2.97Å; E152-S156 PolarHBondContact O-N 2.97Å; E152-R192 IonicContact OE1-CZ 2.7Å; E152-R192 IonicContact OE1-NH1 2.67Å; E152-R192 PolarHBondContact OE1-NH1 3.24Å; E152-R192 IonicContact OE1-NH2 2.69Å; E152-R192 PolarHBondContact OE1-NH2 3.37Å; E152-R192 IonicContact OE2-CZ 3.33Å; E152-R192 IonicContact OE2-NH2 3.49Å; E152-R192 PolarHBondContact OE2-NH2 3.33Å
153	T	93.1	Very high	91.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-41	175.3	-49.6	0	0	0	0	111.5	A110 F113 L117 V135 A149 W150 L151 A157	A110-T153 PolarHBondContact O-OG1 3.49Å; F113-T153 HydrophobicContact CB-CG2 3.86Å; L117-T153 HydrophobicContact CD1-CG2 3.89Å; L117-T153 WeakPolarHBondContact CD1-O 3.27Å; V135-T153 HydrophobicContact CG2-CG2 3.65Å; A149-T153 PolarHBondContact O-N 3.26Å; A149-T153 PolarHBondContact O-OG1 3.04Å; W150-T153 HydrophobicContact CE3-CG2 4.43Å; W150-T153 WeakPolarHBondContact O-CB 3.35Å; W150-T153 PolarHBondContact O-N 3.16Å; L151-T153 PolarHBondContact O-N 3Å; T153-A157 WeakPolarHBondContact O-CB 3.33Å; T153-A157 PolarHBondContact O-N 2.92Å
154	L	92.9	Very high	91.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.3	-46	174.6	-175.6	57.9	0	0	0	112.3	L132 V135 L136 L139 W150 L151 E152 S156 A157 I158 V170 I193	L132-L154 HydrophobicContact CD1-CD1 3.53Å; V135-L154 HydrophobicContact CG1-CB 3.65Å; V135-L154 HydrophobicContact CG1-CD1 4.26Å; V135-L154 HydrophobicContact CG1-CG 4.44Å; L136-L154 HydrophobicContact CD2-CD1 4.41Å; L136-L154 HydrophobicContact CD2-CD2 4.28Å; L139-L154 HydrophobicContact CD1-CB 4.14Å; L139-L154 HydrophobicContact CD1-CD2 3.74Å; L139-L154 HydrophobicContact CD2-CD2 3.77Å; L139-L154 HydrophobicContact CG-CD2 4.44Å; W150-L154 PolarHBondContact O-N 3.27Å; L151-L154 WeakPolarHBondContact O-CB 3.17Å; L151-L154 PolarHBondContact O-N 2.89Å; E152-L154 PolarHBondContact O-N 3.48Å; L154-S156 PolarHBondContact O-N 3.25Å; L154-A157 PolarHBondContact O-N 3.09Å; L154-I158 HydrophobicContact CD1-CG1 4.46Å; L154-I158 HydrophobicContact CG-CD1 4.24Å; L154-I158 WeakPolarHBondContact O-CG1 3.44Å; L154-I158 PolarHBondContact O-N 3.26Å; L154-V170 HydrophobicContact CD1-CG2 4.31Å; L154-V170 HydrophobicContact CD2-CG1 4.47Å; L154-I193 HydrophobicContact CD2-CD1 3.72Å; L154-I193 HydrophobicContact CD2-CG1 3.96Å
155	L	92.9	Very high	91.1	Very high	15 Å²	15	33.1 Å²	33.1	8%	0.079	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-29.2	-179.4	-62.7	173.1	0	0	0	111.9	L151 E152 I158 N159 R192 I193 K196	L151-L155 HydrophobicContact CD1-CD1 4.15Å; L151-L155 HydrophobicContact CD1-CD2 4.28Å; L151-L155 HydrophobicContact CD1-CG 4.03Å; L151-L155 HydrophobicContact CG-CD1 3.98Å; L151-L155 HydrophobicContact CG-CG 4.31Å; L151-L155 VanDerWaalsContact O-CG 3.27Å; L151-L155 WeakPolarHBondContact O-CG 3.25Å; L151-L155 PolarHBondContact O-N 2.87Å; E152-L155 PolarHBondContact O-N 2.97Å; L155-I158 HydrophobicContact CD2-CD1 4.46Å; L155-N159 PolarHBondContact O-ND2 3.15Å; L155-R192 HydrophobicContact CD1-CB 4.15Å; L155-R192 VanDerWaalsContact CD1-NH2 3.32Å; L155-R192 HydrophobicContact CD2-CB 4.35Å; L155-R192 WeakPolarHBondContact CD2-O 3.46Å; L155-I193 HydrophobicContact CD2-CG1 4.24Å; L155-K196 HydrophobicContact CB-CG 4.2Å; L155-K196 HydrophobicContact CD2-CB 3.52Å; L155-K196 HydrophobicContact CD2-CG 3.87Å; L155-K196 WeakPolarHBondContact O-CE 3.37Å
156	S	90.4	Very high	90.9	Very high	26 Å²	26	28.9 Å²	28.9	18%	0.182	16%	0.163	C	C	.	.	H	α-helix	trans	-72.8	-47.4	167.6	-164.9	0	0	0	0	112	L114 E152 L154 I158 N159	L114-S156 VanDerWaalsContact CD1-CB 3.48Å; E152-S156 PolarHBondContact O-N 2.97Å; L154-S156 PolarHBondContact O-N 3.25Å; S156-I158 VanDerWaalsContact C-N 3.33Å; S156-I158 PolarHBondContact O-N 3.47Å; S156-N159 PolarHBondContact O-N 2.96Å; S156-N159 PolarHBondContact O-ND2 3.48Å
157	A	89	Confident	90.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.4	-36.4	-179.5	0	0	0	0	0	114.2	L117 T128 T153 L154 N159 A160 L161	L117-A157 HydrophobicContact CD1-CB 3.88Å; L117-A157 HydrophobicContact CD2-CB 4.33Å; T128-A157 HydrophobicContact CG2-CB 4.41Å; T153-A157 WeakPolarHBondContact O-CB 3.33Å; T153-A157 PolarHBondContact O-N 2.92Å; L154-A157 PolarHBondContact O-N 3.09Å; A157-N159 PolarHBondContact O-N 3.15Å; A157-A160 PolarHBondContact O-N 3.06Å; A157-L161 WeakPolarHBondContact O-CG 3.48Å; A157-L161 PolarHBondContact O-N 2.76Å
158	I	90.1	Very high	90.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-52.6	-31.2	179.5	-75.3	167.2	0	0	0	112.7	L154 L155 S156 A160 I166 V170 I193 K196 K200	L154-I158 HydrophobicContact CD1-CG1 4.46Å; L154-I158 HydrophobicContact CG-CD1 4.24Å; L154-I158 WeakPolarHBondContact O-CG1 3.44Å; L154-I158 PolarHBondContact O-N 3.26Å; L155-I158 HydrophobicContact CD2-CD1 4.46Å; S156-I158 VanDerWaalsContact C-N 3.33Å; S156-I158 PolarHBondContact O-N 3.47Å; I158-A160 PolarHBondContact O-N 3.31Å; I158-I166 HydrophobicContact CG2-CD1 4.3Å; I158-V170 HydrophobicContact CD1-CG1 4.33Å; I158-I193 HydrophobicContact CD1-CG2 4.21Å; I158-K196 HydrophobicContact CB-CG 4.29Å; I158-K196 HydrophobicContact CD1-CB 4.41Å; I158-K196 HydrophobicContact CD1-CG 4.25Å; I158-K196 HydrophobicContact CG2-CG 4.13Å; I158-K200 HydrophobicContact CG2-CG 3.89Å; I158-K200 WeakPolarHBondContact O-CE 3.42Å
159	N	85.7	Confident	90.1	Very high	78 Å²	78	38.3 Å²	38.3	42%	0.417	20%	0.199	S	C	.	.	H	α-helix	trans	-66.3	-38.2	178.6	-51.7	-73.9	0	0	0	112	L155 S156 A157 K196 K200	L155-N159 PolarHBondContact O-ND2 3.15Å; S156-N159 PolarHBondContact O-N 2.96Å; S156-N159 PolarHBondContact O-ND2 3.48Å; A157-N159 PolarHBondContact O-N 3.15Å; N159-K196 WeakPolarHBondContact ND2-CE 3.48Å; N159-K196 WeakPolarHBondContact OD1-CE 3.11Å; N159-K196 PolarHBondContact OD1-NZ 3.28Å; N159-K200 PolarHBondContact O-NZ 3Å
160	A	84.3	Confident	89.9	Confident	26 Å²	26	37.6 Å²	37.6	22%	0.215	19%	0.192	C	C	.	.	H	α-helix	trans	-92.1	-6.3	-175.7	0	0	0	0	0	114.7	H125 T128 A157 I158	H125-A160 PolarHBondContact ND1-O 3.16Å; T128-A160 HydrophobicContact CG2-CB 4.48Å; A157-A160 PolarHBondContact O-N 3.06Å; I158-A160 PolarHBondContact O-N 3.31Å
161	L	86.3	Confident	89.5	Confident	5 Å²	5	38.1 Å²	38.1	3%	0.026	20%	0.195	C	C	.	.	S	Bend	trans	-83.5	148.7	-179.1	-73.6	170.3	0	0	0	113.3	T128 L132 A157 T165 I166 V170 K200	T128-L161 HydrophobicContact CG2-CD2 3.56Å; T128-L161 HydrophobicContact CG2-CG 3.9Å; L132-L161 HydrophobicContact CD1-CD1 4.11Å; L132-L161 HydrophobicContact CD2-CD1 3.9Å; L132-L161 HydrophobicContact CD2-CD2 4.06Å; A157-L161 WeakPolarHBondContact O-CG 3.48Å; A157-L161 PolarHBondContact O-N 2.76Å; L161-T165 HydrophobicContact CD2-CG2 4.03Å; L161-I166 HydrophobicContact CB-CD1 3.99Å; L161-I166 HydrophobicContact CB-CG1 3.66Å; L161-I166 HydrophobicContact CD1-CG1 4.25Å; L161-V170 HydrophobicContact CD1-CG2 4.5Å; L161-K200 WeakPolarHBondContact O-CE 3.27Å; L161-K200 PolarHBondContact O-NZ 3.34Å
162	P	87.9	Confident	89	Confident	67 Å²	67	42.2 Å²	42.2	44%	0.435	22%	0.217	S	C	.	.			trans	-62.7	151.5	166	-20.9	33	0	0	0	112.9	E164 T165 I166	P162-E164 PolarHBondContact O-N 2.82Å; P162-T165 PolarHBondContact O-N 3.38Å; P162-I166 WeakPolarHBondContact O-CG1 3.35Å; P162-I166 PolarHBondContact O-N 3.42Å
163	K	89.4	Confident	88.4	Confident	75 Å²	75	41 Å²	41	33%	0.326	22%	0.215	S	C	.	.	H	α-helix	trans	-57	-39.9	178.7	-74.3	-172.8	175.6	-177.2	0	111.3	I166 K167 K200 F201 D202	K163-I166 PolarHBondContact O-N 2.73Å; K163-K167 WeakPolarHBondContact O-CB 3.42Å; K163-K167 PolarHBondContact O-N 2.95Å; K163-K200 WeakPolarHBondContact CE-O 3.45Å; K163-F201 HydrophobicContact CB-CD1 4.47Å; K163-F201 HydrophobicContact CB-CE1 3.96Å; K163-F201 HydrophobicContact CD-CD1 4.45Å; K163-F201 HydrophobicContact CG-CD1 4.41Å; K163-F201 HydrophobicContact CG-CE1 4.34Å; K163-D202 IonicContact NZ-OD1 2.72Å; K163-D202 PolarHBondContact NZ-OD1 2.94Å; K163-D202 IonicContact NZ-OD2 2.76Å; K163-D202 PolarHBondContact NZ-OD2 3.07Å
164	E	87.9	Confident	88	Confident	121 Å²	121	41.1 Å²	41.1	57%	0.565	22%	0.216	S	C	*	.	H	α-helix	trans	-67	-44	-178	-61.4	63.8	-138.7	0	0	111	P162 K167 Q168	P162-E164 PolarHBondContact O-N 2.82Å; E164-K167 PolarHBondContact O-N 3.34Å; E164-Q168 WeakPolarHBondContact O-CB 3.36Å; E164-Q168 WeakPolarHBondContact O-CG 3.03Å; E164-Q168 PolarHBondContact O-N 3.42Å
165	T	88.9	Confident	87.5	Confident	27 Å²	27	45.3 Å²	45.3	17%	0.166	24%	0.238	C	C	.	.	H	α-helix	trans	-66.5	-40.1	177.1	-47.2	0	0	0	0	111.4	Y129 L132 L161 P162 K167 Q168 E169	Y129-T165 HydrophobicContact CD2-CG2 4.04Å; Y129-T165 HydrophobicContact CE2-CG2 4.35Å; L132-T165 HydrophobicContact CD2-CG2 3.81Å; L161-T165 HydrophobicContact CD2-CG2 4.03Å; P162-T165 PolarHBondContact O-N 3.38Å; T165-K167 VanDerWaalsContact C-N 3.34Å; T165-Q168 PolarHBondContact O-N 2.9Å; T165-E169 HydrophobicContact CG2-CB 4.48Å; T165-E169 HydrophobicContact CG2-CG 4.21Å; T165-E169 WeakPolarHBondContact O-CB 3.14Å; T165-E169 PolarHBondContact O-N 3.17Å
166	I	90.6	Very high	87.1	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.261	C	S	.	.	I	π-helix	trans	-61.5	-45.7	173.7	-62	162.4	0	0	0	109.6	I158 L161 P162 K163 V170 L171 A197 K200 F201	I158-I166 HydrophobicContact CG2-CD1 4.3Å; L161-I166 HydrophobicContact CB-CD1 3.99Å; L161-I166 HydrophobicContact CB-CG1 3.66Å; L161-I166 HydrophobicContact CD1-CG1 4.25Å; P162-I166 WeakPolarHBondContact O-CG1 3.35Å; P162-I166 PolarHBondContact O-N 3.42Å; K163-I166 PolarHBondContact O-N 2.73Å; I166-V170 HydrophobicContact CG2-CB 4.28Å; I166-V170 CarbonylContact O-C 3.49Å; I166-V170 WeakPolarHBondContact O-CA 3.26Å; I166-V170 VanDerWaalsContact O-CB 3.28Å; I166-V170 WeakPolarHBondContact O-CB 3.38Å; I166-V170 PolarHBondContact O-N 3.19Å; I166-L171 HydrophobicContact CG2-CG 4.37Å; I166-L171 PolarHBondContact O-N 3.42Å; I166-A197 HydrophobicContact CG2-CB 4.32Å; I166-K200 HydrophobicContact CD1-CB 3.96Å; I166-K200 HydrophobicContact CD1-CD 4.4Å; I166-K200 HydrophobicContact CD1-CG 3.99Å; I166-F201 HydrophobicContact CB-CE2 4.33Å; I166-F201 HydrophobicContact CB-CZ 3.93Å; I166-F201 HydrophobicContact CG2-CE2 3.64Å; I166-F201 HydrophobicContact CG2-CZ 3.71Å
167	K	88.1	Confident	86.9	Confident	81 Å²	81	51 Å²	51	35%	0.352	26%	0.256	S	S	.	.	I	π-helix	trans	-64	-42.5	179.1	-175.1	159.4	-178.4	154.3	0	113.3	K163 E164 T165 L171 N172 F201 E209	K163-K167 WeakPolarHBondContact O-CB 3.42Å; K163-K167 PolarHBondContact O-N 2.95Å; E164-K167 PolarHBondContact O-N 3.34Å; T165-K167 VanDerWaalsContact C-N 3.34Å; K167-L171 HydrophobicContact CB-CD1 4.42Å; K167-L171 HydrophobicContact CG-CD1 4.47Å; K167-N172 PolarHBondContact O-ND2 3.04Å; K167-F201 HydrophobicContact CB-CE1 4.5Å; K167-F201 HydrophobicContact CB-CZ 4.3Å; K167-E209 WeakPolarHBondContact CE-OE2 3.34Å; K167-E209 IonicContact NZ-OE1 2.65Å; K167-E209 PolarHBondContact NZ-OE1 3Å; K167-E209 IonicContact NZ-OE2 2.66Å; K167-E209 PolarHBondContact NZ-OE2 3.41Å
168	Q	87	Confident	86.9	Confident	131 Å²	131	51.5 Å²	51.5	61%	0.612	26%	0.259	S	S	*	.	I	π-helix	trans	-79.3	-45.9	-176.2	-71	177.3	-5.9	0	0	113.7	E164 T165 N172	E164-Q168 WeakPolarHBondContact O-CB 3.36Å; E164-Q168 WeakPolarHBondContact O-CG 3.03Å; E164-Q168 PolarHBondContact O-N 3.42Å; T165-Q168 PolarHBondContact O-N 2.9Å; Q168-N172 PolarHBondContact O-ND2 3.15Å
169	E	88.2	Confident	86.9	Confident	51 Å²	51	55.7 Å²	55.7	24%	0.238	28%	0.279	C	S	.	.	I	π-helix	trans	-103.9	-16.1	-167.8	-58.7	-91.3	-153.8	0	0	112.8	Y129 L132 L136 T165 P173	Y129-E169 HydrophobicContact CE2-CG 4.11Å; Y129-E169 WeakPolarHBondContact CE2-OE1 3.09Å; Y129-E169 VanDerWaalsContact CZ-OE1 3.26Å; Y129-E169 PolarHBondContact OH-OE1 3.41Å; L132-E169 HydrophobicContact CD2-CB 3.98Å; L136-E169 HydrophobicContact CD1-CB 4.22Å; L136-E169 VanDerWaalsContact CD1-O 3.24Å; L136-E169 WeakPolarHBondContact CD1-O 3.26Å; T165-E169 HydrophobicContact CG2-CB 4.48Å; T165-E169 HydrophobicContact CG2-CG 4.21Å; T165-E169 WeakPolarHBondContact O-CB 3.14Å; T165-E169 PolarHBondContact O-N 3.17Å; E169-P173 WeakPolarHBondContact O-CG 3.48Å
170	V	89.9	Confident	87.1	Confident	5 Å²	5	57.3 Å²	57.3	3%	0.03	29%	0.286	C	S	.	.	I	π-helix	trans	-113	-49.3	-179.1	-173.6	0	0	0	0	112.3	L132 L154 I158 L161 I166 P173 L174 I193	L132-V170 HydrophobicContact CD1-CG2 4.09Å; L154-V170 HydrophobicContact CD1-CG2 4.31Å; L154-V170 HydrophobicContact CD2-CG1 4.47Å; I158-V170 HydrophobicContact CD1-CG1 4.33Å; L161-V170 HydrophobicContact CD1-CG2 4.5Å; I166-V170 HydrophobicContact CG2-CB 4.28Å; I166-V170 CarbonylContact O-C 3.49Å; I166-V170 WeakPolarHBondContact O-CA 3.26Å; I166-V170 VanDerWaalsContact O-CB 3.28Å; I166-V170 WeakPolarHBondContact O-CB 3.38Å; I166-V170 PolarHBondContact O-N 3.19Å; V170-P173 WeakPolarHBondContact O-CD 3.4Å; V170-L174 WeakPolarHBondContact O-CB 3.4Å; V170-L174 PolarHBondContact O-N 3.1Å; V170-I193 HydrophobicContact CG1-CG2 3.54Å
171	L	87.3	Confident	87.4	Confident	11 Å²	11	60.5 Å²	60.5	6%	0.058	31%	0.307	C	S	.	.	I	π-helix	trans	-72.5	-31.6	-178.4	-62.5	-175.3	0	0	0	113.6	I166 K167 L174 L175 A197 F201 L210	I166-L171 HydrophobicContact CG2-CG 4.37Å; I166-L171 PolarHBondContact O-N 3.42Å; K167-L171 HydrophobicContact CB-CD1 4.42Å; K167-L171 HydrophobicContact CG-CD1 4.47Å; L171-L174 HydrophobicContact CD2-CD2 3.84Å; L171-L174 WeakPolarHBondContact O-CB 3.47Å; L171-L174 PolarHBondContact O-N 3.29Å; L171-L175 PolarHBondContact O-N 2.89Å; L171-A197 HydrophobicContact CD2-CB 4.04Å; L171-F201 HydrophobicContact CD1-CE2 3.76Å; L171-F201 HydrophobicContact CD1-CZ 3.91Å; L171-F201 HydrophobicContact CG-CE2 4.46Å; L171-L210 HydrophobicContact CD1-CD2 3.8Å; L171-L210 HydrophobicContact CD2-CD2 3.77Å; L171-L210 HydrophobicContact CG-CD2 4.42Å
172	N	83.6	Confident	87.6	Confident	97 Å²	97	62.2 Å²	62.2	52%	0.519	32%	0.315	S	S	.	.	H	α-helix	trans	-66.7	-47.2	177.4	-70.7	-36.1	0	0	0	112.6	K167 Q168 L174	K167-N172 PolarHBondContact O-ND2 3.04Å; Q168-N172 PolarHBondContact O-ND2 3.15Å; N172-L174 PolarHBondContact O-N 2.97Å
173	P	82.4	Confident	87.7	Confident	45 Å²	45	62.7 Å²	62.7	29%	0.292	32%	0.32	S	S	.	.	H	α-helix	trans	-60.4	-30.6	169.7	-27	36.3	0	0	0	114	E169 V170 Y176 Q177	E169-P173 WeakPolarHBondContact O-CG 3.48Å; V170-P173 WeakPolarHBondContact O-CD 3.4Å; P173-Y176 PolarHBondContact O-N 3.02Å; P173-Q177 WeakPolarHBondContact O-CG 3.46Å; P173-Q177 PolarHBondContact O-N 3.2Å
174	L	84.4	Confident	87.9	Confident	3 Å²	3	61.3 Å²	61.3	2%	0.016	32%	0.316	C	S	.	.	H	α-helix	trans	-59.3	-47.5	-179.7	-163.2	68.5	0	0	0	112.3	V170 L171 N172 Y176 Q177 S178 A190 I193 L194 L213	V170-L174 WeakPolarHBondContact O-CB 3.4Å; V170-L174 PolarHBondContact O-N 3.1Å; L171-L174 HydrophobicContact CD2-CD2 3.84Å; L171-L174 WeakPolarHBondContact O-CB 3.47Å; L171-L174 PolarHBondContact O-N 3.29Å; N172-L174 PolarHBondContact O-N 2.97Å; L174-Y176 PolarHBondContact O-N 3.23Å; L174-Y176 VanDerWaalsContact O-N 3.15Å; L174-Q177 PolarHBondContact O-N 3.18Å; L174-S178 WeakPolarHBondContact O-CB 3.33Å; L174-S178 PolarHBondContact O-N 3.2Å; L174-S178 PolarHBondContact O-OG 3.3Å; L174-S178 VanDerWaalsContact O-OG 3.12Å; L174-A190 VanDerWaalsContact CD1-CA 3.45Å; L174-A190 HydrophobicContact CD1-CB 3.67Å; L174-A190 HydrophobicContact CG-CB 4.4Å; L174-I193 HydrophobicContact CD1-CB 3.67Å; L174-I193 HydrophobicContact CD1-CD1 4.16Å; L174-I193 HydrophobicContact CD1-CG2 3.67Å; L174-I193 HydrophobicContact CD2-CG2 4.3Å; L174-L194 HydrophobicContact CD2-CB 4.2Å; L174-L194 HydrophobicContact CD2-CD1 3.88Å; L174-L213 HydrophobicContact CD2-CD2 3.94Å; L174-L213 HydrophobicContact CG-CD2 3.93Å
175	L	84.1	Confident	88	Confident	88 Å²	88	59.4 Å²	59.4	46%	0.461	31%	0.307	S	S	.	.	H	α-helix	trans	-63.7	-16	179.4	-67.2	169.5	0	0	0	113.9	L171 Q179 L213	L171-L175 PolarHBondContact O-N 2.89Å; L175-Q179 PolarHBondContact O-NE2 3.22Å; L175-L213 HydrophobicContact CD2-CD1 3.88Å; L175-L213 HydrophobicContact CD2-CD2 4.06Å; L175-L213 HydrophobicContact CD2-CG 4.49Å
176	Y	84.5	Confident	88.1	Confident	147 Å²	147	58.3 Å²	58.3	58%	0.576	30%	0.3	S	S	*	.	H	α-helix	trans	-91.9	-51	172.5	-174.3	-124.7	0	0	0	110.6	P173 L174 S178 Q179 H182	P173-Y176 PolarHBondContact O-N 3.02Å; L174-Y176 PolarHBondContact O-N 3.23Å; L174-Y176 VanDerWaalsContact O-N 3.15Å; Y176-S178 PolarHBondContact O-N 3.26Å; Y176-Q179 WeakPolarHBondContact O-CG 3.49Å; Y176-Q179 PolarHBondContact O-N 2.98Å; Y176-H182 AromaticContact CD1-CE1 3.85Å; Y176-H182 AromaticContact CD1-NE2 3.96Å; Y176-H182 AromaticContact CD2-NE2 3.71Å; Y176-H182 AromaticContact CE1-CE1 3.34Å; Y176-H182 WeakPolarHBondContact CE1-CE1 3.48Å; Y176-H182 AromaticContact CE1-NE2 3.62Å; Y176-H182 AromaticContact CE2-CE1 3.92Å; Y176-H182 AromaticContact CE2-NE2 3.33Å; Y176-H182 VanDerWaalsContact CE2-NE2 3.33Å; Y176-H182 WeakPolarHBondContact CE2-NE2 3.35Å; Y176-H182 AromaticContact CG-NE2 3.99Å; Y176-H182 AromaticContact CZ-CE1 3.35Å; Y176-H182 AromaticContact CZ-NE2 3.27Å; Y176-H182 VanDerWaalsContact CZ-NE2 3.27Å; Y176-H182 PolarHBondContact O-CD2 2.74Å
177	Q	85.6	Confident	88.4	Confident	14 Å²	14	59 Å²	59	7%	0.065	30%	0.303	C	S	.	.	H	α-helix	trans	-62.1	-26.3	-178.5	-71.3	171.1	17.6	0	0	114.2	N140 P173 L174 Q179 A186	N140-Q177 PolarHBondContact ND2-NE2 3Å; P173-Q177 WeakPolarHBondContact O-CG 3.46Å; P173-Q177 PolarHBondContact O-N 3.2Å; L174-Q177 PolarHBondContact O-N 3.18Å; Q177-Q179 VanDerWaalsContact C-N 3.33Å; Q177-A186 HydrophobicContact CB-CB 4.27Å
178	S	88.6	Confident	88.7	Confident	9 Å²	9	56.3 Å²	56.3	6%	0.063	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-10.5	178.8	62.4	0	0	0	0	115	L174 Y176 L213	L174-S178 WeakPolarHBondContact O-CB 3.33Å; L174-S178 PolarHBondContact O-N 3.2Å; L174-S178 PolarHBondContact O-OG 3.3Å; L174-S178 VanDerWaalsContact O-OG 3.12Å; Y176-S178 PolarHBondContact O-N 3.26Å; S178-L213 WeakPolarHBondContact OG-CD1 3.33Å
179	Q	90.6	Very high	89	Confident	89 Å²	89	50.5 Å²	50.5	42%	0.416	27%	0.267	S	S	.	.	S	Bend	trans	-75.6	144.9	-174.5	-58.8	175.3	18.5	0	0	110.9	L175 Y176 Q177 S181 H182 R187	L175-Q179 PolarHBondContact O-NE2 3.22Å; Y176-Q179 WeakPolarHBondContact O-CG 3.49Å; Y176-Q179 PolarHBondContact O-N 2.98Å; Q177-Q179 VanDerWaalsContact C-N 3.33Å; Q179-S181 WeakPolarHBondContact CB-OG 3.32Å; Q179-S181 PolarHBondContact O-N 3.45Å; Q179-H182 WeakPolarHBondContact O-CB 3.45Å; Q179-H182 PolarHBondContact O-N 2.77Å; Q179-R187 WeakPolarHBondContact O-CD 3.37Å
180	L	89.4	Confident	89.3	Confident	111 Å²	111	48.1 Å²	48.1	58%	0.581	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-17.8	-179.6	-64.3	174.4	0	0	0	114.3	H182 D220	L180-H182 VanDerWaalsContact C-N 3.27Å; L180-H182 PolarHBondContact O-N 2.75Å; L180-D220 WeakPolarHBondContact CD2-OD2 3.39Å
181	S	90.4	Very high	89.6	Confident	94 Å²	94	47.9 Å²	47.9	66%	0.657	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-18.5	171.6	46.2	0	0	0	0	114.2	Q179	Q179-S181 WeakPolarHBondContact CB-OG 3.32Å; Q179-S181 PolarHBondContact O-N 3.45Å
182	H	91.2	Very high	90.1	Very high	41 Å²	41	50.6 Å²	50.6	19%	0.19	26%	0.264	C	S	.	.	S	Bend	trans	-94.7	159.3	180	-73.2	-88.2	0	0	0	112.5	Y176 Q179 L180 A186 R187	Y176-H182 AromaticContact CD1-CE1 3.85Å; Y176-H182 AromaticContact CD1-NE2 3.96Å; Y176-H182 AromaticContact CD2-NE2 3.71Å; Y176-H182 AromaticContact CE1-CE1 3.34Å; Y176-H182 WeakPolarHBondContact CE1-CE1 3.48Å; Y176-H182 AromaticContact CE1-NE2 3.62Å; Y176-H182 AromaticContact CE2-CE1 3.92Å; Y176-H182 AromaticContact CE2-NE2 3.33Å; Y176-H182 VanDerWaalsContact CE2-NE2 3.33Å; Y176-H182 WeakPolarHBondContact CE2-NE2 3.35Å; Y176-H182 AromaticContact CG-NE2 3.99Å; Y176-H182 AromaticContact CZ-CE1 3.35Å; Y176-H182 AromaticContact CZ-NE2 3.27Å; Y176-H182 VanDerWaalsContact CZ-NE2 3.27Å; Y176-H182 PolarHBondContact O-CD2 2.74Å; Q179-H182 WeakPolarHBondContact O-CB 3.45Å; Q179-H182 PolarHBondContact O-N 2.77Å; L180-H182 VanDerWaalsContact C-N 3.27Å; L180-H182 PolarHBondContact O-N 2.75Å; H182-A186 HydrophobicContact CB-CB 4.17Å; H182-R187 PolarHBondContact O-NH1 3.11Å
183	S	90.6	Very high	90.6	Very high	76 Å²	76	46.1 Å²	46.1	53%	0.531	24%	0.24	S	C	.	.			trans	-60	148.4	-178.9	58.9	0	0	0	0	112.1	Q185 A186 R187	S183-Q185 PolarHBondContact O-N 2.77Å; S183-Q185 VanDerWaalsContact O-N 3.09Å; S183-A186 WeakPolarHBondContact O-CB 3.48Å; S183-A186 PolarHBondContact O-N 2.94Å; S183-R187 PolarHBondContact O-N 3.25Å
184	L	92.4	Very high	91.2	Very high	47 Å²	47	44 Å²	44	25%	0.246	23%	0.226	C	C	.	.	H	α-helix	trans	-42.2	-46.7	173.3	169.9	58.7	0	0	0	112.3	A186 R187 L188 E222 E224 V225	L184-A186 PolarHBondContact O-N 3.11Å; L184-R187 PolarHBondContact O-N 2.86Å; L184-R187 VanDerWaalsContact O-N 3.15Å; L184-L188 HydrophobicContact CD1-CD1 3.87Å; L184-L188 HydrophobicContact CD1-CG 3.94Å; L184-L188 HydrophobicContact CG-CD1 3.88Å; L184-L188 HydrophobicContact CG-CG 4.38Å; L184-L188 WeakPolarHBondContact O-CG 3.39Å; L184-L188 PolarHBondContact O-N 2.89Å; L184-E222 HydrophobicContact CD1-CB 4.03Å; L184-E222 HydrophobicContact CD1-CG 4.24Å; L184-E224 HydrophobicContact CD1-CB 4.18Å; L184-V225 HydrophobicContact CD1-CG2 3.46Å; L184-V225 VanDerWaalsContact CD1-CG2 3.46Å
185	Q	90.8	Very high	91.8	Very high	81 Å²	81	43.8 Å²	43.8	38%	0.379	23%	0.225	S	C	.	.	H	α-helix	trans	-64.8	-33.6	-179.1	-63	-63.6	-40.4	0	0	113.8	T144 S183 A189	T144-Q185 HydrophobicContact CG2-CG 3.93Å; S183-Q185 PolarHBondContact O-N 2.77Å; S183-Q185 VanDerWaalsContact O-N 3.09Å; Q185-A189 VanDerWaalsContact O-CB 3.31Å; Q185-A189 WeakPolarHBondContact O-CB 3.18Å; Q185-A189 PolarHBondContact O-N 2.65Å
186	A	91.4	Very high	92.3	Very high	3 Å²	3	42.8 Å²	42.8	3%	0.025	22%	0.217	C	C	.	.	H	α-helix	trans	-70	-36.6	173.7	0	0	0	0	0	111.6	Q177 H182 S183 L184 A189 A190	Q177-A186 HydrophobicContact CB-CB 4.27Å; H182-A186 HydrophobicContact CB-CB 4.17Å; S183-A186 WeakPolarHBondContact O-CB 3.48Å; S183-A186 PolarHBondContact O-N 2.94Å; L184-A186 PolarHBondContact O-N 3.11Å; A186-A189 PolarHBondContact O-N 2.88Å; A186-A190 WeakPolarHBondContact O-CB 3.29Å; A186-A190 PolarHBondContact O-N 3.24Å
187	R	95	Very high	92.8	Very high	14 Å²	14	35.8 Å²	35.8	5%	0.053	19%	0.19	C	C	.	.	H	α-helix	trans	-72.1	-40.3	176.9	-50.7	-160.5	-49.8	-94.7	8.9	111.7	Q179 H182 S183 L184 A190 C191 L217 D220 V225	Q179-R187 WeakPolarHBondContact O-CD 3.37Å; H182-R187 PolarHBondContact O-NH1 3.11Å; S183-R187 PolarHBondContact O-N 3.25Å; L184-R187 PolarHBondContact O-N 2.86Å; L184-R187 VanDerWaalsContact O-N 3.15Å; R187-A190 WeakPolarHBondContact O-CB 3.39Å; R187-A190 PolarHBondContact O-N 2.88Å; R187-A190 VanDerWaalsContact O-N 3.15Å; R187-C191 PolarHBondContact O-N 3.39Å; R187-C191 PolarHBondContact O-SG 2.96Å; R187-L217 HydrophobicContact CB-CD2 4.26Å; R187-D220 IonicContact CZ-OD1 3.53Å; R187-D220 IonicContact CZ-OD2 3.78Å; R187-D220 IonicContact NE-OD1 3.42Å; R187-D220 IonicContact NE-OD2 3.77Å; R187-D220 PolarHBondContact NE-OD2 2.72Å; R187-D220 IonicContact NH2-OD1 3.8Å; R187-D220 PolarHBondContact NH2-OD1 3.33Å; R187-D220 IonicContact NH2-OD2 2.68Å; R187-D220 PolarHBondContact NH2-OD2 2.91Å; R187-V225 HydrophobicContact CB-CG1 4.24Å; R187-V225 HydrophobicContact CB-CG2 4.07Å
188	L	94.6	Very high	93.2	Very high	25 Å²	25	35.1 Å²	35.1	13%	0.131	19%	0.187	C	C	.	.	H	α-helix	trans	-60.1	-44.2	170.1	-70.8	172	0	0	0	112.5	L184 A190 C191 R192 E224 V225 C228	L184-L188 HydrophobicContact CD1-CD1 3.87Å; L184-L188 HydrophobicContact CD1-CG 3.94Å; L184-L188 HydrophobicContact CG-CD1 3.88Å; L184-L188 HydrophobicContact CG-CG 4.38Å; L184-L188 WeakPolarHBondContact O-CG 3.39Å; L184-L188 PolarHBondContact O-N 2.89Å; L188-A190 VanDerWaalsContact C-N 3.3Å; L188-A190 PolarHBondContact O-N 3.39Å; L188-C191 PolarHBondContact O-N 3.02Å; L188-R192 PolarHBondContact O-N 3.43Å; L188-E224 HydrophobicContact CD2-CB 4.23Å; L188-E224 WeakPolarHBondContact CD2-O 3.48Å; L188-V225 HydrophobicContact CD2-CG2 4.2Å; L188-V225 HydrophobicContact CG-CG2 4.32Å; L188-C228 HydrophobicContact CD2-CB 3.54Å
189	A	93.8	Very high	93.4	Very high	10 Å²	10	38.3 Å²	38.3	8%	0.083	21%	0.208	C	C	.	.	H	α-helix	trans	-60.8	-42.2	172.6	0	0	0	0	0	111.1	L151 Q185 A186 C191 R192 I193	L151-A189 HydrophobicContact CD1-CB 4.22Å; L151-A189 HydrophobicContact CD2-CB 3.9Å; Q185-A189 VanDerWaalsContact O-CB 3.31Å; Q185-A189 WeakPolarHBondContact O-CB 3.18Å; Q185-A189 PolarHBondContact O-N 2.65Å; A186-A189 PolarHBondContact O-N 2.88Å; A189-C191 PolarHBondContact O-N 2.84Å; A189-R192 PolarHBondContact O-N 2.9Å; A189-I193 WeakPolarHBondContact O-CD1 3.36Å; A189-I193 VanDerWaalsContact O-CG1 3.26Å; A189-I193 WeakPolarHBondContact O-CG1 3.14Å; A189-I193 PolarHBondContact O-N 3.26Å
190	A	95.1	Very high	93.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.2	-43.6	178.9	0	0	0	0	0	112.6	L174 A186 R187 L188 R192 I193 L194 L217	L174-A190 VanDerWaalsContact CD1-CA 3.45Å; L174-A190 HydrophobicContact CD1-CB 3.67Å; L174-A190 HydrophobicContact CG-CB 4.4Å; A186-A190 WeakPolarHBondContact O-CB 3.29Å; A186-A190 PolarHBondContact O-N 3.24Å; R187-A190 WeakPolarHBondContact O-CB 3.39Å; R187-A190 PolarHBondContact O-N 2.88Å; R187-A190 VanDerWaalsContact O-N 3.15Å; L188-A190 VanDerWaalsContact C-N 3.3Å; L188-A190 PolarHBondContact O-N 3.39Å; A190-R192 PolarHBondContact O-N 3.43Å; A190-I193 PolarHBondContact O-N 3.48Å; A190-L194 VanDerWaalsContact O-CB 3.26Å; A190-L194 WeakPolarHBondContact O-CB 3.35Å; A190-L194 PolarHBondContact O-N 2.77Å; A190-L217 HydrophobicContact CB-CD1 4.45Å
191	C	96.7	Very high	93.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-52.7	-54.1	172.9	-62.5	0	0	0	0	111.3	R187 L188 A189 I193 L194 G195 C228 M229 Q232	R187-C191 PolarHBondContact O-N 3.39Å; R187-C191 PolarHBondContact O-SG 2.96Å; L188-C191 PolarHBondContact O-N 3.02Å; A189-C191 PolarHBondContact O-N 2.84Å; C191-I193 PolarHBondContact O-N 3.25Å; C191-L194 WeakPolarHBondContact O-CB 3.28Å; C191-L194 PolarHBondContact O-N 2.68Å; C191-L194 VanDerWaalsContact O-N 3.17Å; C191-G195 PolarHBondContact O-N 3.28Å; C191-G195 VanDerWaalsContact O-N 3.11Å; C191-C228 HydrophobicContact CB-CB 4.16Å; C191-M229 HydrophobicContact CB-CB 4.41Å; C191-M229 HydrophobicContact CB-SD 3.98Å; C191-Q232 HydrophobicContact CB-CG 4.48Å; C191-Q232 WeakPolarHBondContact O-CG 3.31Å
192	R	96.4	Very high	93.7	Very high	68 Å²	68	31.8 Å²	31.8	26%	0.257	17%	0.166	S	C	.	.	H	α-helix	trans	-64.6	-38	-176.2	-64	-174.5	64.7	-159.2	-2.4	113	L151 E152 L155 L188 A189 A190 K196	L151-R192 HydrophobicContact CD2-CB 4.49Å; E152-R192 IonicContact OE1-CZ 2.7Å; E152-R192 IonicContact OE1-NH1 2.67Å; E152-R192 PolarHBondContact OE1-NH1 3.24Å; E152-R192 IonicContact OE1-NH2 2.69Å; E152-R192 PolarHBondContact OE1-NH2 3.37Å; E152-R192 IonicContact OE2-CZ 3.33Å; E152-R192 IonicContact OE2-NH2 3.49Å; E152-R192 PolarHBondContact OE2-NH2 3.33Å; L155-R192 HydrophobicContact CD1-CB 4.15Å; L155-R192 VanDerWaalsContact CD1-NH2 3.32Å; L155-R192 HydrophobicContact CD2-CB 4.35Å; L155-R192 WeakPolarHBondContact CD2-O 3.46Å; L188-R192 PolarHBondContact O-N 3.43Å; A189-R192 PolarHBondContact O-N 2.9Å; A190-R192 PolarHBondContact O-N 3.43Å; R192-K196 WeakPolarHBondContact O-CB 3.39Å; R192-K196 PolarHBondContact O-N 2.91Å; R192-K196 VanDerWaalsContact O-N 3.1Å
193	I	95.2	Very high	93.8	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.015	17%	0.166	C	C	.	.	H	α-helix	trans	-67	-40.8	174.8	-64.9	161.4	0	0	0	110.4	L139 L151 L154 L155 I158 V170 L174 A189 A190 C191 K196 A197	L139-I193 HydrophobicContact CD2-CD1 3.98Å; L151-I193 HydrophobicContact CD1-CD1 3.91Å; L151-I193 HydrophobicContact CD1-CG1 3.66Å; L154-I193 HydrophobicContact CD2-CD1 3.72Å; L154-I193 HydrophobicContact CD2-CG1 3.96Å; L155-I193 HydrophobicContact CD2-CG1 4.24Å; I158-I193 HydrophobicContact CD1-CG2 4.21Å; V170-I193 HydrophobicContact CG1-CG2 3.54Å; L174-I193 HydrophobicContact CD1-CB 3.67Å; L174-I193 HydrophobicContact CD1-CD1 4.16Å; L174-I193 HydrophobicContact CD1-CG2 3.67Å; L174-I193 HydrophobicContact CD2-CG2 4.3Å; A189-I193 WeakPolarHBondContact O-CD1 3.36Å; A189-I193 VanDerWaalsContact O-CG1 3.26Å; A189-I193 WeakPolarHBondContact O-CG1 3.14Å; A189-I193 PolarHBondContact O-N 3.26Å; A190-I193 PolarHBondContact O-N 3.48Å; C191-I193 PolarHBondContact O-N 3.25Å; I193-K196 PolarHBondContact O-N 2.88Å; I193-A197 WeakPolarHBondContact O-CB 3.41Å; I193-A197 PolarHBondContact O-N 3.17Å
194	L	95.2	Very high	93.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.8	-49.2	-179.5	-171.9	61.5	0	0	0	111.9	L174 A190 C191 A197 S198 L210 L213 A214 L217 M229 M236	L174-L194 HydrophobicContact CD2-CB 4.2Å; L174-L194 HydrophobicContact CD2-CD1 3.88Å; A190-L194 VanDerWaalsContact O-CB 3.26Å; A190-L194 WeakPolarHBondContact O-CB 3.35Å; A190-L194 PolarHBondContact O-N 2.77Å; C191-L194 WeakPolarHBondContact O-CB 3.28Å; C191-L194 PolarHBondContact O-N 2.68Å; C191-L194 VanDerWaalsContact O-N 3.17Å; L194-A197 PolarHBondContact O-N 3.38Å; L194-S198 PolarHBondContact O-N 3.24Å; L194-L210 HydrophobicContact CD1-CB 3.64Å; L194-L210 HydrophobicContact CD1-CD1 4.4Å; L194-L210 HydrophobicContact CD1-CD2 3.79Å; L194-L210 HydrophobicContact CD1-CG 4.13Å; L194-L213 HydrophobicContact CD1-CB 4.47Å; L194-L213 HydrophobicContact CD1-CD2 4.23Å; L194-L213 HydrophobicContact CD2-CB 4.03Å; L194-L213 HydrophobicContact CD2-CD2 4.35Å; L194-L213 HydrophobicContact CD2-CG 4.37Å; L194-A214 HydrophobicContact CD2-CB 3.88Å; L194-L217 HydrophobicContact CD2-CD1 4.26Å; L194-M229 HydrophobicContact CD2-CE 3.88Å; L194-M229 HydrophobicContact CD2-SD 3.94Å; L194-M229 HydrophobicContact CG-CE 4.47Å; L194-M236 HydrophobicContact CD2-SD 4.39Å; L194-M236 HydrophobicContact CG-CE 4.32Å; L194-M236 HydrophobicContact CG-SD 4.22Å
195	G	95.3	Very high	93.8	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.8	-42.5	175.1	0	0	0	0	0	113	C191 A197 S198 S235	C191-G195 PolarHBondContact O-N 3.28Å; C191-G195 VanDerWaalsContact O-N 3.11Å; G195-A197 VanDerWaalsContact C-N 3.32Å; G195-A197 PolarHBondContact O-N 2.8Å; G195-S198 PolarHBondContact O-N 3.43Å; G195-S198 PolarHBondContact O-OG 3.02Å; G195-S235 WeakPolarHBondContact CA-OG 3.31Å; G195-S235 PolarHBondContact O-OG 3.47Å
196	K	94.9	Very high	94	Very high	67 Å²	67	29.1 Å²	29.1	29%	0.291	15%	0.151	S	C	.	.	H	α-helix	trans	-69.3	-30.5	178.7	-169.6	54.8	174.1	169.4	0	113.3	L155 I158 N159 R192 I193	L155-K196 HydrophobicContact CB-CG 4.2Å; L155-K196 HydrophobicContact CD2-CB 3.52Å; L155-K196 HydrophobicContact CD2-CG 3.87Å; L155-K196 WeakPolarHBondContact O-CE 3.37Å; I158-K196 HydrophobicContact CB-CG 4.29Å; I158-K196 HydrophobicContact CD1-CB 4.41Å; I158-K196 HydrophobicContact CD1-CG 4.25Å; I158-K196 HydrophobicContact CG2-CG 4.13Å; N159-K196 WeakPolarHBondContact ND2-CE 3.48Å; N159-K196 WeakPolarHBondContact OD1-CE 3.11Å; N159-K196 PolarHBondContact OD1-NZ 3.28Å; R192-K196 WeakPolarHBondContact O-CB 3.39Å; R192-K196 PolarHBondContact O-N 2.91Å; R192-K196 VanDerWaalsContact O-N 3.1Å; I193-K196 PolarHBondContact O-N 2.88Å
197	A	94.6	Very high	94	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-77.9	-32	176.7	0	0	0	0	0	112.9	I166 L171 I193 L194 G195 C199 K200 F201	I166-A197 HydrophobicContact CG2-CB 4.32Å; L171-A197 HydrophobicContact CD2-CB 4.04Å; I193-A197 WeakPolarHBondContact O-CB 3.41Å; I193-A197 PolarHBondContact O-N 3.17Å; L194-A197 PolarHBondContact O-N 3.38Å; G195-A197 VanDerWaalsContact C-N 3.32Å; G195-A197 PolarHBondContact O-N 2.8Å; A197-C199 VanDerWaalsContact C-N 3.25Å; A197-C199 PolarHBondContact O-N 2.95Å; A197-K200 WeakPolarHBondContact O-CB 3.45Å; A197-K200 PolarHBondContact O-N 3.07Å; A197-F201 HydrophobicContact CB-CE2 4.49Å; A197-F201 VanDerWaalsContact O-CD2 3.26Å; A197-F201 WeakPolarHBondContact O-CD2 3.5Å
198	S	94.8	Very high	93.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.6	-39.7	-180	64.6	0	0	0	0	112.1	L194 G195 K200 F201 S235 A239	L194-S198 PolarHBondContact O-N 3.24Å; G195-S198 PolarHBondContact O-N 3.43Å; G195-S198 PolarHBondContact O-OG 3.02Å; S198-K200 PolarHBondContact O-N 3.44Å; S198-F201 PolarHBondContact O-N 2.78Å; S198-F201 VanDerWaalsContact O-N 3.11Å; S198-S235 PolarHBondContact OG-O 3.04Å; S198-A239 WeakPolarHBondContact O-CB 3.26Å
199	C	93.7	Very high	93.6	Very high	75 Å²	75	40.1 Å²	40.1	51%	0.507	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-4	176	-52.3	0	0	0	0	115.1	A197	A197-C199 VanDerWaalsContact C-N 3.25Å; A197-C199 PolarHBondContact O-N 2.95Å
200	K	92.8	Very high	93.6	Very high	56 Å²	56	39.9 Å²	39.9	24%	0.243	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-6.6	178.3	-68.3	-75.6	-67.2	-170.8	0	113.5	I158 N159 L161 K163 I166 A197 S198	I158-K200 HydrophobicContact CG2-CG 3.89Å; I158-K200 WeakPolarHBondContact O-CE 3.42Å; N159-K200 PolarHBondContact O-NZ 3Å; L161-K200 WeakPolarHBondContact O-CE 3.27Å; L161-K200 PolarHBondContact O-NZ 3.34Å; K163-K200 WeakPolarHBondContact CE-O 3.45Å; I166-K200 HydrophobicContact CD1-CB 3.96Å; I166-K200 HydrophobicContact CD1-CD 4.4Å; I166-K200 HydrophobicContact CD1-CG 3.99Å; A197-K200 WeakPolarHBondContact O-CB 3.45Å; A197-K200 PolarHBondContact O-N 3.07Å; S198-K200 PolarHBondContact O-N 3.44Å
201	F	92.6	Very high	93.5	Very high	14 Å²	14	40 Å²	40	6%	0.061	20%	0.197	C	C	.	.	S	Bend	trans	-121.3	157.3	-178.7	-63.9	-75.1	0	0	0	111.9	K163 I166 K167 L171 A197 S198 I205 V206 L210	K163-F201 HydrophobicContact CB-CD1 4.47Å; K163-F201 HydrophobicContact CB-CE1 3.96Å; K163-F201 HydrophobicContact CD-CD1 4.45Å; K163-F201 HydrophobicContact CG-CD1 4.41Å; K163-F201 HydrophobicContact CG-CE1 4.34Å; I166-F201 HydrophobicContact CB-CE2 4.33Å; I166-F201 HydrophobicContact CB-CZ 3.93Å; I166-F201 HydrophobicContact CG2-CE2 3.64Å; I166-F201 HydrophobicContact CG2-CZ 3.71Å; K167-F201 HydrophobicContact CB-CE1 4.5Å; K167-F201 HydrophobicContact CB-CZ 4.3Å; L171-F201 HydrophobicContact CD1-CE2 3.76Å; L171-F201 HydrophobicContact CD1-CZ 3.91Å; L171-F201 HydrophobicContact CG-CE2 4.46Å; A197-F201 HydrophobicContact CB-CE2 4.49Å; A197-F201 VanDerWaalsContact O-CD2 3.26Å; A197-F201 WeakPolarHBondContact O-CD2 3.5Å; S198-F201 PolarHBondContact O-N 2.78Å; S198-F201 VanDerWaalsContact O-N 3.11Å; F201-I205 HydrophobicContact CB-CB 4.12Å; F201-I205 HydrophobicContact CB-CG2 4Å; F201-I205 HydrophobicContact CD1-CD1 4.14Å; F201-I205 HydrophobicContact CD1-CG2 4.07Å; F201-I205 HydrophobicContact CG-CG2 4.05Å; F201-V206 HydrophobicContact CB-CG2 3.91Å; F201-L210 HydrophobicContact CD2-CD1 4.22Å
202	D	91.6	Very high	93.4	Very high	88 Å²	88	43.5 Å²	43.5	47%	0.471	22%	0.219	S	C	.	.			trans	-82.7	147.5	-178	-32.9	-84.8	0	0	0	109.5	K163 L204 I205 V206	K163-D202 IonicContact NZ-OD1 2.72Å; K163-D202 PolarHBondContact NZ-OD1 2.94Å; K163-D202 IonicContact NZ-OD2 2.76Å; K163-D202 PolarHBondContact NZ-OD2 3.07Å; D202-L204 PolarHBondContact O-N 3.31Å; D202-I205 PolarHBondContact O-N 3.43Å; D202-V206 PolarHBondContact O-N 3.31Å
203	S	92.6	Very high	93.3	Very high	29 Å²	29	41.2 Å²	41.2	20%	0.203	21%	0.212	C	C	.	.	H	α-helix	trans	-41.1	-47.4	-168.7	175.6	0	0	0	0	114.3	I205 V206 K207 I240 D244	S203-I205 VanDerWaalsContact C-N 3.27Å; S203-I205 PolarHBondContact O-N 3.38Å; S203-V206 PolarHBondContact O-N 3.4Å; S203-K207 WeakPolarHBondContact O-CB 3.4Å; S203-K207 PolarHBondContact O-N 2.95Å; S203-I240 WeakPolarHBondContact CB-O 3.36Å; S203-I240 WeakPolarHBondContact OG-CA 3.14Å; S203-I240 PolarHBondContact OG-O 3.12Å; S203-D244 PolarHBondContact OG-OD2 2.87Å
204	L	92.3	Very high	93.3	Very high	113 Å²	113	41.1 Å²	41.1	59%	0.592	21%	0.212	S	C	*	.	H	α-helix	trans	-55.5	-37	-178.7	-175.6	63.8	0	0	0	114	D202 K208	D202-L204 PolarHBondContact O-N 3.31Å; L204-K208 HydrophobicContact CD1-CD 3.89Å; L204-K208 HydrophobicContact CD1-CG 4.45Å; L204-K208 HydrophobicContact CG-CD 4.38Å; L204-K208 WeakPolarHBondContact O-CB 3.26Å; L204-K208 WeakPolarHBondContact O-CG 3.36Å; L204-K208 PolarHBondContact O-N 3.09Å
205	I	91.1	Very high	93.3	Very high	46 Å²	46	44.6 Å²	44.6	24%	0.236	23%	0.225	C	C	.	.	H	α-helix	trans	-75.2	-45.9	177	-62.5	173.1	0	0	0	109.3	F201 D202 S203 K207 K208 E209	F201-I205 HydrophobicContact CB-CB 4.12Å; F201-I205 HydrophobicContact CB-CG2 4Å; F201-I205 HydrophobicContact CD1-CD1 4.14Å; F201-I205 HydrophobicContact CD1-CG2 4.07Å; F201-I205 HydrophobicContact CG-CG2 4.05Å; D202-I205 PolarHBondContact O-N 3.43Å; S203-I205 VanDerWaalsContact C-N 3.27Å; S203-I205 PolarHBondContact O-N 3.38Å; I205-K207 VanDerWaalsContact C-N 3.34Å; I205-K207 PolarHBondContact O-N 3.19Å; I205-K208 PolarHBondContact O-N 2.97Å; I205-E209 WeakPolarHBondContact O-CB 3.4Å; I205-E209 PolarHBondContact O-N 3.09Å
206	V	93.6	Very high	93.3	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	25%	0.249	C	C	.	.	I	π-helix	trans	-59.3	-45.7	179	-176.8	0	0	0	0	110.5	F201 D202 S203 L210 L211 M236 A239 I240	F201-V206 HydrophobicContact CB-CG2 3.91Å; D202-V206 PolarHBondContact O-N 3.31Å; S203-V206 PolarHBondContact O-N 3.4Å; V206-L210 HydrophobicContact CG1-CB 4.27Å; V206-L210 HydrophobicContact CG1-CD1 4.37Å; V206-L210 HydrophobicContact CG2-CD1 4.26Å; V206-L210 CarbonylContact O-C 3.57Å; V206-L210 WeakPolarHBondContact O-CA 3.31Å; V206-L210 WeakPolarHBondContact O-CB 3.3Å; V206-L210 PolarHBondContact O-N 3.21Å; V206-L210 VanDerWaalsContact O-N 3.1Å; V206-L211 WeakPolarHBondContact O-CB 3.47Å; V206-L211 PolarHBondContact O-N 2.9Å; V206-M236 HydrophobicContact CG1-CE 4.06Å; V206-A239 HydrophobicContact CG2-CB 4.24Å; V206-I240 HydrophobicContact CB-CG2 3.74Å; V206-I240 HydrophobicContact CG1-CG2 3.54Å
207	K	92.7	Very high	93.4	Very high	43 Å²	43	45 Å²	45	19%	0.187	24%	0.236	C	C	.	.	I	π-helix	trans	-65	-38.2	176.8	-73.9	-170.3	57.3	144.8	0	114.3	S203 I205 I240 D244 E248	S203-K207 WeakPolarHBondContact O-CB 3.4Å; S203-K207 PolarHBondContact O-N 2.95Å; I205-K207 VanDerWaalsContact C-N 3.34Å; I205-K207 PolarHBondContact O-N 3.19Å; K207-I240 HydrophobicContact CG-CB 4.27Å; K207-I240 HydrophobicContact CG-CG2 3.78Å; K207-D244 HydrophobicContact CD-CB 3.88Å; K207-D244 WeakPolarHBondContact CD-OD1 3.48Å; K207-D244 WeakPolarHBondContact CD-OD2 3.29Å; K207-D244 IonicContact NZ-OD1 3.24Å; K207-D244 PolarHBondContact NZ-OD1 3.39Å; K207-E248 HydrophobicContact CD-CG 4.42Å; K207-E248 WeakPolarHBondContact CE-OE1 3.37Å; K207-E248 IonicContact NZ-OE1 3.77Å; K207-E248 PolarHBondContact NZ-OE1 2.87Å
208	K	91.4	Very high	93.5	Very high	150 Å²	150	45.1 Å²	45.1	65%	0.652	24%	0.237	S	C	*	.	I	π-helix	trans	-89.7	-30.3	-174.1	-72.2	-175.6	172.6	-176.2	0	114.5	L204 I205	L204-K208 HydrophobicContact CD1-CD 3.89Å; L204-K208 HydrophobicContact CD1-CG 4.45Å; L204-K208 HydrophobicContact CG-CD 4.38Å; L204-K208 WeakPolarHBondContact O-CB 3.26Å; L204-K208 WeakPolarHBondContact O-CG 3.36Å; L204-K208 PolarHBondContact O-N 3.09Å; I205-K208 PolarHBondContact O-N 2.97Å
209	E	89.7	Confident	93.6	Very high	79 Å²	79	51.7 Å²	51.7	37%	0.369	26%	0.262	S	S	.	.	I	π-helix	trans	-114.9	-33.1	-171.7	-58.6	-176.8	177.1	0	0	113	K167 I205	K167-E209 WeakPolarHBondContact CE-OE2 3.34Å; K167-E209 IonicContact NZ-OE1 2.65Å; K167-E209 PolarHBondContact NZ-OE1 3Å; K167-E209 IonicContact NZ-OE2 2.66Å; K167-E209 PolarHBondContact NZ-OE2 3.41Å; I205-E209 WeakPolarHBondContact O-CB 3.4Å; I205-E209 PolarHBondContact O-N 3.09Å
210	L	93.7	Very high	93.7	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.026	24%	0.239	C	C	.	.	I	π-helix	trans	-100	-42.5	-173.7	-55.9	-170.7	0	0	0	113	L171 L194 F201 V206 L213 A214 M236	L171-L210 HydrophobicContact CD1-CD2 3.8Å; L171-L210 HydrophobicContact CD2-CD2 3.77Å; L171-L210 HydrophobicContact CG-CD2 4.42Å; L194-L210 HydrophobicContact CD1-CB 3.64Å; L194-L210 HydrophobicContact CD1-CD1 4.4Å; L194-L210 HydrophobicContact CD1-CD2 3.79Å; L194-L210 HydrophobicContact CD1-CG 4.13Å; F201-L210 HydrophobicContact CD2-CD1 4.22Å; V206-L210 HydrophobicContact CG1-CB 4.27Å; V206-L210 HydrophobicContact CG1-CD1 4.37Å; V206-L210 HydrophobicContact CG2-CD1 4.26Å; V206-L210 CarbonylContact O-C 3.57Å; V206-L210 WeakPolarHBondContact O-CA 3.31Å; V206-L210 WeakPolarHBondContact O-CB 3.3Å; V206-L210 PolarHBondContact O-N 3.21Å; V206-L210 VanDerWaalsContact O-N 3.1Å; L210-L213 WeakPolarHBondContact O-CB 3.27Å; L210-L213 PolarHBondContact O-N 2.72Å; L210-L213 VanDerWaalsContact O-N 3.1Å; L210-A214 PolarHBondContact O-N 3.12Å; L210-M236 HydrophobicContact CB-CE 3.93Å
211	L	93.8	Very high	93.9	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-60.1	-38.9	-179.4	176.6	66.8	0	0	0	113.9	V206 L213 A214 R215 E248 L249	V206-L211 WeakPolarHBondContact O-CB 3.47Å; V206-L211 PolarHBondContact O-N 2.9Å; L211-L213 PolarHBondContact O-N 2.69Å; L211-A214 WeakPolarHBondContact O-CB 3.45Å; L211-A214 PolarHBondContact O-N 2.99Å; L211-A214 VanDerWaalsContact O-N 3.15Å; L211-R215 HydrophobicContact CD1-CG 4.37Å; L211-R215 WeakPolarHBondContact O-CG 3.46Å; L211-R215 PolarHBondContact O-N 3.37Å; L211-E248 HydrophobicContact CD2-CB 3.76Å; L211-E248 HydrophobicContact CD2-CG 4.06Å; L211-L249 HydrophobicContact CD1-CD2 3.56Å; L211-L249 HydrophobicContact CD1-CG 4.33Å
212	P	94	Very high	94.1	Very high	72 Å²	72	54.1 Å²	54.1	47%	0.468	27%	0.274	S	S	.	.	H	α-helix	trans	-60.6	-33.4	174.3	-24.1	35.5	0	0	0	112.7	S216	P212-S216 PolarHBondContact O-N 3.34Å
213	L	94	Very high	94.4	Very high	20 Å²	20	51.4 Å²	51.4	11%	0.105	26%	0.261	C	S	.	.	H	α-helix	trans	-71.8	-39.9	175.4	-157.1	66.5	0	0	0	111.6	L174 L175 S178 L194 L210 L211 S216 L217	L174-L213 HydrophobicContact CD2-CD2 3.94Å; L174-L213 HydrophobicContact CG-CD2 3.93Å; L175-L213 HydrophobicContact CD2-CD1 3.88Å; L175-L213 HydrophobicContact CD2-CD2 4.06Å; L175-L213 HydrophobicContact CD2-CG 4.49Å; S178-L213 WeakPolarHBondContact OG-CD1 3.33Å; L194-L213 HydrophobicContact CD1-CB 4.47Å; L194-L213 HydrophobicContact CD1-CD2 4.23Å; L194-L213 HydrophobicContact CD2-CB 4.03Å; L194-L213 HydrophobicContact CD2-CD2 4.35Å; L194-L213 HydrophobicContact CD2-CG 4.37Å; L210-L213 WeakPolarHBondContact O-CB 3.27Å; L210-L213 PolarHBondContact O-N 2.72Å; L210-L213 VanDerWaalsContact O-N 3.1Å; L211-L213 PolarHBondContact O-N 2.69Å; L213-S216 WeakPolarHBondContact O-CB 3.4Å; L213-S216 PolarHBondContact O-N 3.36Å; L213-L217 HydrophobicContact CG-CD1 4.28Å; L213-L217 WeakPolarHBondContact O-CG 3.41Å; L213-L217 PolarHBondContact O-N 3.04Å
214	A	95.6	Very high	94.6	Very high	1 Å²	1	55 Å²	55	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-58.3	-49.4	174.3	0	0	0	0	0	111.2	L194 L210 L211 S216 L217 S218 M229 L233 M236	L194-A214 HydrophobicContact CD2-CB 3.88Å; L210-A214 PolarHBondContact O-N 3.12Å; L211-A214 WeakPolarHBondContact O-CB 3.45Å; L211-A214 PolarHBondContact O-N 2.99Å; L211-A214 VanDerWaalsContact O-N 3.15Å; A214-S216 VanDerWaalsContact C-N 3.26Å; A214-S216 PolarHBondContact O-N 3.44Å; A214-L217 PolarHBondContact O-N 3.27Å; A214-S218 WeakPolarHBondContact O-CB 3.34Å; A214-S218 PolarHBondContact O-N 2.92Å; A214-S218 PolarHBondContact O-OG 3.29Å; A214-S218 VanDerWaalsContact O-OG 3.13Å; A214-M229 HydrophobicContact CB-CE 3.71Å; A214-M229 HydrophobicContact CB-SD 4.31Å; A214-L233 HydrophobicContact CB-CD2 4.04Å; A214-M236 HydrophobicContact CB-CE 3.87Å; A214-M236 HydrophobicContact CB-SD 3.7Å
215	R	95.3	Very high	94.9	Very high	74 Å²	74	49.6 Å²	49.6	28%	0.279	25%	0.247	S	C	.	.	H	α-helix	trans	-58.6	-36.6	175.9	-64.1	-167.6	165.7	127.1	1.5	112.6	L211 R219 E248 E252	L211-R215 HydrophobicContact CD1-CG 4.37Å; L211-R215 WeakPolarHBondContact O-CG 3.46Å; L211-R215 PolarHBondContact O-N 3.37Å; R215-R219 WeakPolarHBondContact O-CD 3.4Å; R215-R219 VanDerWaalsContact O-CG 3.28Å; R215-R219 WeakPolarHBondContact O-CG 3.43Å; R215-R219 PolarHBondContact O-N 2.98Å; R215-E248 IonicContact CZ-OE2 2.82Å; R215-E248 IonicContact NH1-OE2 2.71Å; R215-E248 PolarHBondContact NH1-OE2 2.68Å; R215-E248 VanDerWaalsContact NH1-OE2 3.11Å; R215-E248 PolarHBondContact NH2-O 2.89Å; R215-E248 IonicContact NH2-OE2 2.7Å; R215-E248 PolarHBondContact NH2-OE2 2.78Å; R215-E252 WeakPolarHBondContact CA-OE1 3.33Å; R215-E252 WeakPolarHBondContact CD-OE2 3.11Å; R215-E252 HydrophobicContact CG-CG 4.44Å; R215-E252 WeakPolarHBondContact CG-OE2 3.36Å; R215-E252 IonicContact NE-OE2 2.68Å; R215-E252 PolarHBondContact NE-OE2 3Å
216	S	95.1	Very high	95.3	Very high	73 Å²	73	49.1 Å²	49.1	51%	0.51	24%	0.242	S	C	.	.	H	α-helix	trans	-68.3	-33.8	175.1	-168.9	0	0	0	0	113.5	P212 L213 A214	P212-S216 PolarHBondContact O-N 3.34Å; L213-S216 WeakPolarHBondContact O-CB 3.4Å; L213-S216 PolarHBondContact O-N 3.36Å; A214-S216 VanDerWaalsContact C-N 3.26Å; A214-S216 PolarHBondContact O-N 3.44Å
217	L	96.6	Very high	95.5	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-85.1	-29.2	179.8	-71	164.7	0	0	0	112.3	R187 A190 L194 L213 A214 R219 D220 V225 M229	R187-L217 HydrophobicContact CB-CD2 4.26Å; A190-L217 HydrophobicContact CB-CD1 4.45Å; L194-L217 HydrophobicContact CD2-CD1 4.26Å; L213-L217 HydrophobicContact CG-CD1 4.28Å; L213-L217 WeakPolarHBondContact O-CG 3.41Å; L213-L217 PolarHBondContact O-N 3.04Å; A214-L217 PolarHBondContact O-N 3.27Å; L217-R219 PolarHBondContact O-N 2.87Å; L217-D220 WeakPolarHBondContact O-CB 3.42Å; L217-D220 PolarHBondContact O-N 3.15Å; L217-V225 HydrophobicContact CB-CG1 4.39Å; L217-V225 HydrophobicContact CD2-CG1 3.85Å; L217-M229 HydrophobicContact CB-CB 4.06Å; L217-M229 HydrophobicContact CB-CG 3.7Å; L217-M229 HydrophobicContact CB-SD 3.82Å; L217-M229 HydrophobicContact CD1-SD 4Å
218	S	96.9	Very high	95.7	Very high	3 Å²	3	49 Å²	49	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-62.5	-21.2	167.3	-65.7	0	0	0	0	112.5	A214 R226	A214-S218 WeakPolarHBondContact O-CB 3.34Å; A214-S218 PolarHBondContact O-N 2.92Å; A214-S218 PolarHBondContact O-OG 3.29Å; A214-S218 VanDerWaalsContact O-OG 3.13Å; S218-R226 WeakPolarHBondContact O-CD 3.43Å; S218-R226 WeakPolarHBondContact O-CG 3.35Å
219	R	95.7	Very high	96	Very high	139 Å²	139	41.9 Å²	41.9	53%	0.525	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	21.6	-177.1	-59	169.1	-163.7	-115.8	-1.6	112.3	R215 L217 E252 E255	R215-R219 WeakPolarHBondContact O-CD 3.4Å; R215-R219 VanDerWaalsContact O-CG 3.28Å; R215-R219 WeakPolarHBondContact O-CG 3.43Å; R215-R219 PolarHBondContact O-N 2.98Å; L217-R219 PolarHBondContact O-N 2.87Å; R219-E252 IonicContact CZ-OE1 3.95Å; R219-E252 VanDerWaalsContact CZ-OE1 3.27Å; R219-E252 IonicContact CZ-OE2 3.2Å; R219-E252 IonicContact NE-OE1 3.34Å; R219-E252 PolarHBondContact NE-OE1 3.36Å; R219-E252 IonicContact NH2-OE1 2.74Å; R219-E252 PolarHBondContact NH2-OE1 3.06Å; R219-E252 IonicContact NH2-OE2 3.4Å; R219-E252 PolarHBondContact NH2-OE2 3.41Å; R219-E255 IonicContact CZ-OE2 2.71Å; R219-E255 IonicContact NE-OE2 3.7Å; R219-E255 IonicContact NH1-OE2 2.66Å; R219-E255 PolarHBondContact NH1-OE2 2.84Å; R219-E255 IonicContact NH2-OE1 3.16Å; R219-E255 IonicContact NH2-OE2 2.68Å; R219-E255 PolarHBondContact NH2-OE2 3.47Å
220	D	97.6	Very high	96.4	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.027	20%	0.196	C	C	.	.			trans	-66.3	151	177	-164.2	-71.6	0	0	0	111.8	L180 R187 L217 E222 V225 R226	L180-D220 WeakPolarHBondContact CD2-OD2 3.39Å; R187-D220 IonicContact CZ-OD1 3.53Å; R187-D220 IonicContact CZ-OD2 3.78Å; R187-D220 IonicContact NE-OD1 3.42Å; R187-D220 IonicContact NE-OD2 3.77Å; R187-D220 PolarHBondContact NE-OD2 2.72Å; R187-D220 IonicContact NH2-OD1 3.8Å; R187-D220 PolarHBondContact NH2-OD1 3.33Å; R187-D220 IonicContact NH2-OD2 2.68Å; R187-D220 PolarHBondContact NH2-OD2 2.91Å; L217-D220 WeakPolarHBondContact O-CB 3.42Å; L217-D220 PolarHBondContact O-N 3.15Å; D220-E222 VanDerWaalsContact C-N 3.29Å; D220-E222 PolarHBondContact O-N 3.11Å; D220-E222 PolarHBondContact OD1-N 2.7Å; D220-V225 HydrophobicContact CB-CB 3.74Å; D220-V225 HydrophobicContact CB-CG1 3.65Å; D220-R226 HydrophobicContact CB-CG 4.33Å; D220-R226 VanDerWaalsContact O-CD 3.29Å; D220-R226 WeakPolarHBondContact O-CD 3.36Å; D220-R226 WeakPolarHBondContact O-CG 3.28Å; D220-R226 PolarHBondContact O-NH1 3.12Å
221	T	96.1	Very high	96.5	Very high	100 Å²	100	44 Å²	44	61%	0.613	22%	0.218	S	C	*	.	S	Bend	trans	-65.7	-33.1	178.8	55.3	0	0	0	0	112.4	R226	T221-R226 PolarHBondContact O-NH1 3.1Å
222	E	97.5	Very high	96.6	Very high	91 Å²	91	45.9 Å²	45.9	43%	0.425	23%	0.226	S	C	.	.	S	Bend	trans	-87.6	122.5	-178.8	-53.9	-59.1	146.6	0	0	110.6	L184 D220 E224 V225 R226	L184-E222 HydrophobicContact CD1-CB 4.03Å; L184-E222 HydrophobicContact CD1-CG 4.24Å; D220-E222 VanDerWaalsContact C-N 3.29Å; D220-E222 PolarHBondContact O-N 3.11Å; D220-E222 PolarHBondContact OD1-N 2.7Å; E222-E224 VanDerWaalsContact C-N 3.26Å; E222-E224 PolarHBondContact O-N 3.38Å; E222-V225 HydrophobicContact CB-CG2 4.09Å; E222-V225 PolarHBondContact O-N 3.28Å; E222-R226 PolarHBondContact O-N 2.81Å
223	S	97.6	Very high	96.7	Very high	30 Å²	30	42.5 Å²	42.5	21%	0.21	20%	0.204	C	C	.	.	H	α-helix	trans	-60.6	-33.3	-179.8	48.6	0	0	0	0	113	V225 R226 I227	S223-V225 PolarHBondContact O-N 3.13Å; S223-R226 PolarHBondContact O-N 3.06Å; S223-R226 VanDerWaalsContact O-N 3.16Å; S223-I227 WeakPolarHBondContact O-CB 3.38Å; S223-I227 WeakPolarHBondContact O-CD1 3.25Å; S223-I227 WeakPolarHBondContact O-CG1 3.41Å; S223-I227 PolarHBondContact O-N 3.36Å
224	E	97.5	Very high	96.7	Very high	104 Å²	104	44 Å²	44	49%	0.486	21%	0.211	S	C	.	.	H	α-helix	trans	-53.7	-39.7	171.8	-74.5	-171.6	-144.2	0	0	112.8	L184 L188 E222 C228	L184-E224 HydrophobicContact CD1-CB 4.18Å; L188-E224 HydrophobicContact CD2-CB 4.23Å; L188-E224 WeakPolarHBondContact CD2-O 3.48Å; E222-E224 VanDerWaalsContact C-N 3.26Å; E222-E224 PolarHBondContact O-N 3.38Å; E224-C228 VanDerWaalsContact O-CB 3.24Å; E224-C228 WeakPolarHBondContact O-CB 3.4Å; E224-C228 PolarHBondContact O-N 2.96Å
225	V	97.9	Very high	96.6	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-72.6	-41.7	178.9	-177.1	0	0	0	0	110.4	L184 R187 L188 L217 D220 E222 S223 C228 M229	L184-V225 HydrophobicContact CD1-CG2 3.46Å; L184-V225 VanDerWaalsContact CD1-CG2 3.46Å; R187-V225 HydrophobicContact CB-CG1 4.24Å; R187-V225 HydrophobicContact CB-CG2 4.07Å; L188-V225 HydrophobicContact CD2-CG2 4.2Å; L188-V225 HydrophobicContact CG-CG2 4.32Å; L217-V225 HydrophobicContact CB-CG1 4.39Å; L217-V225 HydrophobicContact CD2-CG1 3.85Å; D220-V225 HydrophobicContact CB-CB 3.74Å; D220-V225 HydrophobicContact CB-CG1 3.65Å; E222-V225 HydrophobicContact CB-CG2 4.09Å; E222-V225 PolarHBondContact O-N 3.28Å; S223-V225 PolarHBondContact O-N 3.13Å; V225-C228 PolarHBondContact O-N 3.4Å; V225-M229 WeakPolarHBondContact O-CB 3.5Å; V225-M229 PolarHBondContact O-N 3.02Å
226	R	98.3	Very high	96.6	Very high	36 Å²	36	41.5 Å²	41.5	14%	0.136	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-46.7	175.4	-57.4	-158.3	-62.9	-82.7	7.1	111.5	S218 D220 T221 E222 S223 C228 M229 C230 L256 D259 V264	S218-R226 WeakPolarHBondContact O-CD 3.43Å; S218-R226 WeakPolarHBondContact O-CG 3.35Å; D220-R226 HydrophobicContact CB-CG 4.33Å; D220-R226 VanDerWaalsContact O-CD 3.29Å; D220-R226 WeakPolarHBondContact O-CD 3.36Å; D220-R226 WeakPolarHBondContact O-CG 3.28Å; D220-R226 PolarHBondContact O-NH1 3.12Å; T221-R226 PolarHBondContact O-NH1 3.1Å; E222-R226 PolarHBondContact O-N 2.81Å; S223-R226 PolarHBondContact O-N 3.06Å; S223-R226 VanDerWaalsContact O-N 3.16Å; R226-C228 VanDerWaalsContact C-N 3.35Å; R226-C228 PolarHBondContact O-N 2.83Å; R226-M229 PolarHBondContact O-N 3.2Å; R226-C230 WeakPolarHBondContact O-CB 3.42Å; R226-C230 PolarHBondContact O-N 2.97Å; R226-L256 HydrophobicContact CB-CD2 4.25Å; R226-D259 IonicContact CZ-OD1 2.75Å; R226-D259 IonicContact CZ-OD2 3.42Å; R226-D259 IonicContact NE-OD1 2.65Å; R226-D259 IonicContact NE-OD2 3.11Å; R226-D259 PolarHBondContact NE-OD2 3.41Å; R226-D259 IonicContact NH2-OD1 2.92Å; R226-D259 PolarHBondContact NH2-OD1 3.24Å; R226-D259 IonicContact NH2-OD2 3.36Å; R226-D259 PolarHBondContact NH2-OD2 2.65Å; R226-V264 HydrophobicContact CB-CG1 4.16Å; R226-V264 HydrophobicContact CB-CG2 4.06Å
227	I	98.1	Very high	96.6	Very high	22 Å²	22	38 Å²	38	11%	0.113	18%	0.181	C	C	.	.	H	α-helix	trans	-56.9	-47.2	172.7	-68.1	161.2	0	0	0	111.2	S223 R231 S263 V264 A267	S223-I227 WeakPolarHBondContact O-CB 3.38Å; S223-I227 WeakPolarHBondContact O-CD1 3.25Å; S223-I227 WeakPolarHBondContact O-CG1 3.41Å; S223-I227 PolarHBondContact O-N 3.36Å; I227-R231 WeakPolarHBondContact O-CG 3.26Å; I227-R231 PolarHBondContact O-N 2.91Å; I227-S263 WeakPolarHBondContact CD1-OG 3.42Å; I227-V264 HydrophobicContact CD1-CG2 4.33Å; I227-V264 HydrophobicContact CG1-CB 4.35Å; I227-V264 HydrophobicContact CG1-CG2 3.78Å; I227-A267 HydrophobicContact CB-CB 4.47Å; I227-A267 HydrophobicContact CG1-CB 4.47Å; I227-A267 HydrophobicContact CG2-CB 4.06Å
228	C	97.6	Very high	96.4	Very high	20 Å²	20	44.9 Å²	44.9	14%	0.135	21%	0.206	C	C	.	.	H	α-helix	trans	-63.5	-49.9	-178.7	-165.8	0	0	0	0	110.7	L188 C191 E224 V225 R226 R231 Q232	L188-C228 HydrophobicContact CD2-CB 3.54Å; C191-C228 HydrophobicContact CB-CB 4.16Å; E224-C228 VanDerWaalsContact O-CB 3.24Å; E224-C228 WeakPolarHBondContact O-CB 3.4Å; E224-C228 PolarHBondContact O-N 2.96Å; V225-C228 PolarHBondContact O-N 3.4Å; R226-C228 VanDerWaalsContact C-N 3.35Å; R226-C228 PolarHBondContact O-N 2.83Å; C228-R231 PolarHBondContact O-N 3.14Å; C228-Q232 WeakPolarHBondContact O-CG 3.24Å; C228-Q232 PolarHBondContact O-N 2.96Å
229	M	97.8	Very high	96.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.8	-45	179.9	-166.1	61.4	-120.4	0	0	111.7	C191 L194 A214 L217 V225 R226 R231 Q232 L233 M236	C191-M229 HydrophobicContact CB-CB 4.41Å; C191-M229 HydrophobicContact CB-SD 3.98Å; L194-M229 HydrophobicContact CD2-CE 3.88Å; L194-M229 HydrophobicContact CD2-SD 3.94Å; L194-M229 HydrophobicContact CG-CE 4.47Å; A214-M229 HydrophobicContact CB-CE 3.71Å; A214-M229 HydrophobicContact CB-SD 4.31Å; L217-M229 HydrophobicContact CB-CB 4.06Å; L217-M229 HydrophobicContact CB-CG 3.7Å; L217-M229 HydrophobicContact CB-SD 3.82Å; L217-M229 HydrophobicContact CD1-SD 4Å; V225-M229 WeakPolarHBondContact O-CB 3.5Å; V225-M229 PolarHBondContact O-N 3.02Å; R226-M229 PolarHBondContact O-N 3.2Å; M229-R231 VanDerWaalsContact C-N 3.31Å; M229-R231 PolarHBondContact O-N 2.68Å; M229-Q232 HydrophobicContact CE-CB 3.79Å; M229-Q232 CarbonylContact O-C 3.47Å; M229-Q232 WeakPolarHBondContact O-CA 3.16Å; M229-Q232 WeakPolarHBondContact O-CB 3.38Å; M229-Q232 PolarHBondContact O-N 2.96Å; M229-L233 HydrophobicContact CE-CD2 3.74Å; M229-L233 HydrophobicContact CG-CD2 4.44Å; M229-L233 WeakPolarHBondContact O-CG 3.34Å; M229-L233 PolarHBondContact O-N 2.88Å; M229-L233 VanDerWaalsContact O-N 3.11Å; M229-M236 HydrophobicContact CE-SD 3.66Å
230	C	97.6	Very high	96.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-50	-51.1	177.3	-173.4	0	0	0	0	111.9	R226 Q232 L233 L256 A267 A268 S271	R226-C230 WeakPolarHBondContact O-CB 3.42Å; R226-C230 PolarHBondContact O-N 2.97Å; C230-Q232 PolarHBondContact O-N 3.04Å; C230-L233 WeakPolarHBondContact O-CB 3.43Å; C230-L233 PolarHBondContact O-N 2.89Å; C230-L256 HydrophobicContact CB-CD1 3.96Å; C230-A267 HydrophobicContact CB-CB 4.37Å; C230-A267 VanDerWaalsContact SG-C 3.57Å; C230-A267 PolarHBondContact SG-O 2.71Å; C230-A268 WeakPolarHBondContact SG-CA 3.41Å; C230-A268 PolarHBondContact SG-N 3.07Å; C230-S271 PolarHBondContact O-OG 2.79Å
231	R	96.2	Very high	95.8	Very high	129 Å²	129	40.8 Å²	40.8	49%	0.487	20%	0.204	S	C	.	.	H	α-helix	trans	-64.5	-17.8	177.5	-69.4	172.5	174.6	154.9	1.3	114	I227 C228 M229 A267	I227-R231 WeakPolarHBondContact O-CG 3.26Å; I227-R231 PolarHBondContact O-N 2.91Å; C228-R231 PolarHBondContact O-N 3.14Å; M229-R231 VanDerWaalsContact C-N 3.31Å; M229-R231 PolarHBondContact O-N 2.68Å; R231-A267 HydrophobicContact CG-CB 4.41Å
232	Q	96.8	Very high	95.6	Very high	43 Å²	43	39.1 Å²	39.1	20%	0.201	19%	0.194	C	C	.	.	H	α-helix	trans	-89.3	-19.9	173.6	-57.8	-51.3	-78.1	0	0	112.8	C191 C228 M229 C230 E234 S235 M236	C191-Q232 HydrophobicContact CB-CG 4.48Å; C191-Q232 WeakPolarHBondContact O-CG 3.31Å; C228-Q232 WeakPolarHBondContact O-CG 3.24Å; C228-Q232 PolarHBondContact O-N 2.96Å; M229-Q232 HydrophobicContact CE-CB 3.79Å; M229-Q232 CarbonylContact O-C 3.47Å; M229-Q232 WeakPolarHBondContact O-CA 3.16Å; M229-Q232 WeakPolarHBondContact O-CB 3.38Å; M229-Q232 PolarHBondContact O-N 2.96Å; C230-Q232 PolarHBondContact O-N 3.04Å; Q232-E234 PolarHBondContact O-N 2.87Å; Q232-S235 PolarHBondContact O-N 2.75Å; Q232-S235 PolarHBondContact O-OG 3.27Å; Q232-M236 PolarHBondContact O-N 3.01Å
233	L	95.6	Very high	95.2	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-59.3	-31	177.5	-57.7	-176.9	0	0	0	112	A214 M229 C230 S235 M236 A237 L249 L253 L256	A214-L233 HydrophobicContact CB-CD2 4.04Å; M229-L233 HydrophobicContact CE-CD2 3.74Å; M229-L233 HydrophobicContact CG-CD2 4.44Å; M229-L233 WeakPolarHBondContact O-CG 3.34Å; M229-L233 PolarHBondContact O-N 2.88Å; M229-L233 VanDerWaalsContact O-N 3.11Å; C230-L233 WeakPolarHBondContact O-CB 3.43Å; C230-L233 PolarHBondContact O-N 2.89Å; L233-S235 VanDerWaalsContact C-N 3.31Å; L233-S235 PolarHBondContact O-N 2.7Å; L233-M236 HydrophobicContact CD2-SD 4.27Å; L233-M236 PolarHBondContact O-N 3.42Å; L233-M236 VanDerWaalsContact O-N 3.12Å; L233-A237 WeakPolarHBondContact O-CB 3.29Å; L233-A237 PolarHBondContact O-N 3.42Å; L233-L249 HydrophobicContact CB-CD2 4.46Å; L233-L249 HydrophobicContact CD2-CD2 3.99Å; L233-L253 HydrophobicContact CB-CD2 4.32Å; L233-L253 HydrophobicContact CD1-CD2 3.81Å; L233-L253 HydrophobicContact CD1-CG 3.91Å; L233-L256 HydrophobicContact CD1-CD1 3.96Å
234	E	93.9	Very high	94.9	Very high	52 Å²	52	41.5 Å²	41.5	24%	0.243	20%	0.203	C	C	.	.	H	α-helix	trans	-56.4	-40.9	171.8	-171.7	-167.5	142.9	0	0	112.9	Q232 R238 S274 L275	Q232-E234 PolarHBondContact O-N 2.87Å; E234-R238 PolarHBondContact O-N 2.7Å; E234-R238 IonicContact OE1-CZ 2.8Å; E234-R238 IonicContact OE1-NH1 3.11Å; E234-R238 PolarHBondContact OE1-NH1 3.23Å; E234-R238 IonicContact OE1-NH2 3.6Å; E234-R238 PolarHBondContact OE1-NH2 3.02Å; E234-S274 WeakPolarHBondContact CG-OG 3.13Å; E234-S274 WeakPolarHBondContact OE2-CB 3.41Å; E234-S274 PolarHBondContact OE2-OG 2.83Å; E234-L275 HydrophobicContact CG-CD2 3.99Å; E234-L275 HydrophobicContact CG-CG 4.36Å
235	S	93.4	Very high	94.6	Very high	22 Å²	22	36.8 Å²	36.8	15%	0.154	18%	0.181	C	C	.	.	H	α-helix	trans	-75.6	-26.1	177.5	68.6	0	0	0	0	113.2	G195 S198 Q232 L233	G195-S235 WeakPolarHBondContact CA-OG 3.31Å; G195-S235 PolarHBondContact O-OG 3.47Å; S198-S235 PolarHBondContact OG-O 3.04Å; Q232-S235 PolarHBondContact O-N 2.75Å; Q232-S235 PolarHBondContact O-OG 3.27Å; L233-S235 VanDerWaalsContact C-N 3.31Å; L233-S235 PolarHBondContact O-N 2.7Å
236	M	95.6	Very high	94.2	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-77.5	-39.2	174.4	-60.4	-173.3	71.3	0	0	111.6	L194 V206 L210 A214 M229 Q232 L233 R238 A239 I240 L249	L194-M236 HydrophobicContact CD2-SD 4.39Å; L194-M236 HydrophobicContact CG-CE 4.32Å; L194-M236 HydrophobicContact CG-SD 4.22Å; V206-M236 HydrophobicContact CG1-CE 4.06Å; L210-M236 HydrophobicContact CB-CE 3.93Å; A214-M236 HydrophobicContact CB-CE 3.87Å; A214-M236 HydrophobicContact CB-SD 3.7Å; M229-M236 HydrophobicContact CE-SD 3.66Å; Q232-M236 PolarHBondContact O-N 3.01Å; L233-M236 HydrophobicContact CD2-SD 4.27Å; L233-M236 PolarHBondContact O-N 3.42Å; L233-M236 VanDerWaalsContact O-N 3.12Å; M236-R238 PolarHBondContact O-N 3.19Å; M236-A239 WeakPolarHBondContact O-CA 3.38Å; M236-A239 WeakPolarHBondContact O-CB 3.5Å; M236-A239 PolarHBondContact O-N 2.95Å; M236-I240 PolarHBondContact O-N 2.85Å; M236-L249 HydrophobicContact CB-CD1 4.13Å
237	A	94	Very high	93.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-55.1	-50	174.3	0	0	0	0	0	111.8	L233 A239 I240 G241 T245 L249 L275 M278	L233-A237 WeakPolarHBondContact O-CB 3.29Å; L233-A237 PolarHBondContact O-N 3.42Å; A237-A239 PolarHBondContact O-N 3.45Å; A237-I240 PolarHBondContact O-N 3.16Å; A237-G241 PolarHBondContact O-N 2.82Å; A237-T245 VanDerWaalsContact CA-OG1 3.26Å; A237-T245 WeakPolarHBondContact CA-OG1 3.32Å; A237-T245 HydrophobicContact CB-CG2 3.63Å; A237-T245 WeakPolarHBondContact CB-OG1 3.38Å; A237-T245 PolarHBondContact O-OG1 3.41Å; A237-L249 VanDerWaalsContact CA-CD1 3.49Å; A237-L249 HydrophobicContact CB-CD1 3.8Å; A237-L275 HydrophobicContact CB-CD1 3.95Å; A237-L275 HydrophobicContact CB-CD2 3.68Å; A237-M278 HydrophobicContact CB-CE 4.34Å
238	R	92.4	Very high	93.4	Very high	144 Å²	144	43.9 Å²	43.9	54%	0.543	22%	0.219	S	C	.	.	H	α-helix	trans	-62.4	-22.5	175.6	-67	-172.2	-173.5	109.7	4.6	114	E234 M236 M278	E234-R238 PolarHBondContact O-N 2.7Å; E234-R238 IonicContact OE1-CZ 2.8Å; E234-R238 IonicContact OE1-NH1 3.11Å; E234-R238 PolarHBondContact OE1-NH1 3.23Å; E234-R238 IonicContact OE1-NH2 3.6Å; E234-R238 PolarHBondContact OE1-NH2 3.02Å; M236-R238 PolarHBondContact O-N 3.19Å; R238-M278 HydrophobicContact CG-SD 3.75Å
239	A	93.4	Very high	93.1	Very high	22 Å²	22	43 Å²	43	18%	0.182	21%	0.212	C	C	.	.	H	α-helix	trans	-88.2	-29.3	178.2	0	0	0	0	0	113.6	S198 V206 M236 A237	S198-A239 WeakPolarHBondContact O-CB 3.26Å; V206-A239 HydrophobicContact CG2-CB 4.24Å; M236-A239 WeakPolarHBondContact O-CA 3.38Å; M236-A239 WeakPolarHBondContact O-CB 3.5Å; M236-A239 PolarHBondContact O-N 2.95Å; A237-A239 PolarHBondContact O-N 3.45Å
240	I	94.2	Very high	92.8	Very high	11 Å²	11	43.3 Å²	43.3	6%	0.056	21%	0.214	C	C	.	.	H	α-helix	trans	-89.7	-27.8	176.2	67.7	-177.3	0	0	0	113.2	S203 V206 K207 M236 A237 D244 E248 L249	S203-I240 WeakPolarHBondContact CB-O 3.36Å; S203-I240 WeakPolarHBondContact OG-CA 3.14Å; S203-I240 PolarHBondContact OG-O 3.12Å; V206-I240 HydrophobicContact CB-CG2 3.74Å; V206-I240 HydrophobicContact CG1-CG2 3.54Å; K207-I240 HydrophobicContact CG-CB 4.27Å; K207-I240 HydrophobicContact CG-CG2 3.78Å; M236-I240 PolarHBondContact O-N 2.85Å; A237-I240 PolarHBondContact O-N 3.16Å; I240-D244 HydrophobicContact CB-CB 3.72Å; I240-D244 HydrophobicContact CD1-CB 3.87Å; I240-D244 HydrophobicContact CG1-CB 3.7Å; I240-E248 HydrophobicContact CD1-CB 4.5Å; I240-L249 HydrophobicContact CD1-CD1 3.48Å; I240-L249 VanDerWaalsContact CD1-CD1 3.48Å; I240-L249 HydrophobicContact CD1-CG 3.82Å; I240-L249 HydrophobicContact CG1-CD1 4.24Å
241	G	91.5	Very high	92.5	Very high	28 Å²	28	46.2 Å²	46.2	29%	0.289	23%	0.233	S	C	.	.			trans	94	178	-179.6	0	0	0	0	0	113.3	A237 T245	A237-G241 PolarHBondContact O-N 2.82Å; G241-T245 VanDerWaalsContact O-CB 3.25Å; G241-T245 WeakPolarHBondContact O-CB 3.42Å; G241-T245 PolarHBondContact O-N 3.17Å; G241-T245 PolarHBondContact O-OG1 3.41Å
242	V	90.7	Very high	92.3	Very high	65 Å²	65	40.4 Å²	40.4	39%	0.394	21%	0.212	S	C	.	.	H	α-helix	trans	-63.5	-59.5	-167.3	174.8	0	0	0	0	112.9	D244 T245 R246 M278	V242-D244 VanDerWaalsContact C-N 3.26Å; V242-D244 PolarHBondContact O-N 2.71Å; V242-T245 WeakPolarHBondContact O-CB 3.19Å; V242-T245 PolarHBondContact O-N 3.29Å; V242-R246 PolarHBondContact O-N 3.31Å; V242-M278 WeakPolarHBondContact CG1-O 3.15Å; V242-M278 HydrophobicContact CG2-CE 4.44Å
243	E	89.1	Confident	92.2	Very high	127 Å²	127	38.4 Å²	38.4	59%	0.593	20%	0.202	S	C	*	.	H	α-helix	trans	-56.6	-40.8	-178.2	-54.4	-52.3	134.3	0	0	112.8	T247	E243-T247 WeakPolarHBondContact O-CG2 3.47Å; E243-T247 PolarHBondContact O-N 2.85Å; E243-T247 VanDerWaalsContact O-N 3.11Å; E243-T247 PolarHBondContact O-OG1 3.48Å
244	D	91.1	Very high	92.1	Very high	44 Å²	44	41.4 Å²	41.4	24%	0.235	22%	0.218	C	C	.	.	H	α-helix	trans	-72.4	-35.8	178.4	-77.8	-33.1	0	0	0	111.6	S203 K207 I240 V242 E248	S203-D244 PolarHBondContact OG-OD2 2.87Å; K207-D244 HydrophobicContact CD-CB 3.88Å; K207-D244 WeakPolarHBondContact CD-OD1 3.48Å; K207-D244 WeakPolarHBondContact CD-OD2 3.29Å; K207-D244 IonicContact NZ-OD1 3.24Å; K207-D244 PolarHBondContact NZ-OD1 3.39Å; I240-D244 HydrophobicContact CB-CB 3.72Å; I240-D244 HydrophobicContact CD1-CB 3.87Å; I240-D244 HydrophobicContact CG1-CB 3.7Å; V242-D244 VanDerWaalsContact C-N 3.26Å; V242-D244 PolarHBondContact O-N 2.71Å; D244-E248 WeakPolarHBondContact O-CB 3.39Å; D244-E248 WeakPolarHBondContact O-CG 3.43Å; D244-E248 PolarHBondContact O-N 2.85Å
245	T	91.9	Very high	92	Very high	6 Å²	6	44 Å²	44	4%	0.037	23%	0.23	C	C	.	.	I	π-helix	trans	-63.2	-47.1	172.6	-62.2	0	0	0	0	110.7	A237 G241 V242 T247 L249 L250 L275	A237-T245 VanDerWaalsContact CA-OG1 3.26Å; A237-T245 WeakPolarHBondContact CA-OG1 3.32Å; A237-T245 HydrophobicContact CB-CG2 3.63Å; A237-T245 WeakPolarHBondContact CB-OG1 3.38Å; A237-T245 PolarHBondContact O-OG1 3.41Å; G241-T245 VanDerWaalsContact O-CB 3.25Å; G241-T245 WeakPolarHBondContact O-CB 3.42Å; G241-T245 PolarHBondContact O-N 3.17Å; G241-T245 PolarHBondContact O-OG1 3.41Å; V242-T245 WeakPolarHBondContact O-CB 3.19Å; V242-T245 PolarHBondContact O-N 3.29Å; T245-T247 VanDerWaalsContact C-N 3.34Å; T245-T247 PolarHBondContact O-N 3.49Å; T245-L249 HydrophobicContact CG2-CB 4.29Å; T245-L249 PolarHBondContact O-N 2.72Å; T245-L250 HydrophobicContact CG2-CD2 4.32Å; T245-L250 HydrophobicContact CG2-CG 4.37Å; T245-L250 PolarHBondContact O-N 2.96Å; T245-L275 HydrophobicContact CG2-CD1 4.43Å
246	R	88.3	Confident	92.1	Very high	72 Å²	72	43.2 Å²	43.2	27%	0.272	22%	0.224	S	C	.	.	I	π-helix	trans	-56.4	-46.6	178.7	-175	-176.5	-158.3	154.2	22.6	112.2	V242 D280 D283	V242-R246 PolarHBondContact O-N 3.31Å; R246-D280 IonicContact CZ-OD1 3.4Å; R246-D280 IonicContact CZ-OD2 2.72Å; R246-D280 IonicContact NH1-OD2 2.77Å; R246-D280 PolarHBondContact NH1-OD2 3.29Å; R246-D280 VanDerWaalsContact NH2-CG 3.35Å; R246-D280 IonicContact NH2-OD1 3.17Å; R246-D280 PolarHBondContact NH2-OD1 3.24Å; R246-D280 IonicContact NH2-OD2 2.69Å; R246-D280 PolarHBondContact NH2-OD2 3.11Å; R246-D283 WeakPolarHBondContact CD-OD2 3.48Å; R246-D283 WeakPolarHBondContact CG-OD2 3.33Å; R246-D283 IonicContact CZ-OD1 3.38Å; R246-D283 IonicContact CZ-OD2 2.66Å; R246-D283 VanDerWaalsContact NE-CG 3.3Å; R246-D283 IonicContact NE-OD1 3.62Å; R246-D283 PolarHBondContact NE-OD1 2.79Å; R246-D283 IonicContact NE-OD2 3.47Å; R246-D283 PolarHBondContact NE-OD2 3.44Å; R246-D283 IonicContact NH2-OD1 2.7Å; R246-D283 PolarHBondContact NH2-OD1 2.97Å; R246-D283 IonicContact NH2-OD2 2.87Å
247	T	89.8	Confident	92	Very high	90 Å²	90	44.2 Å²	44.2	55%	0.552	23%	0.232	S	C	*	.	I	π-helix	trans	-86.1	-27.7	-173.7	51.1	0	0	0	0	114.4	E243 T245	E243-T247 WeakPolarHBondContact O-CG2 3.47Å; E243-T247 PolarHBondContact O-N 2.85Å; E243-T247 VanDerWaalsContact O-N 3.11Å; E243-T247 PolarHBondContact O-OG1 3.48Å; T245-T247 VanDerWaalsContact C-N 3.34Å; T245-T247 PolarHBondContact O-N 3.49Å
248	E	90.3	Very high	91.8	Very high	45 Å²	45	47.2 Å²	47.2	21%	0.21	26%	0.263	C	S	.	.	I	π-helix	trans	-113.4	-32.5	-172.4	-58.2	-81.3	-175.3	0	0	115.1	K207 L211 R215 I240 D244	K207-E248 HydrophobicContact CD-CG 4.42Å; K207-E248 WeakPolarHBondContact CE-OE1 3.37Å; K207-E248 IonicContact NZ-OE1 3.77Å; K207-E248 PolarHBondContact NZ-OE1 2.87Å; L211-E248 HydrophobicContact CD2-CB 3.76Å; L211-E248 HydrophobicContact CD2-CG 4.06Å; R215-E248 IonicContact CZ-OE2 2.82Å; R215-E248 IonicContact NH1-OE2 2.71Å; R215-E248 PolarHBondContact NH1-OE2 2.68Å; R215-E248 VanDerWaalsContact NH1-OE2 3.11Å; R215-E248 PolarHBondContact NH2-O 2.89Å; R215-E248 IonicContact NH2-OE2 2.7Å; R215-E248 PolarHBondContact NH2-OE2 2.78Å; I240-E248 HydrophobicContact CD1-CB 4.5Å; D244-E248 WeakPolarHBondContact O-CB 3.39Å; D244-E248 WeakPolarHBondContact O-CG 3.43Å; D244-E248 PolarHBondContact O-N 2.85Å
249	L	92.1	Very high	91.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.243	C	C	.	.	I	π-helix	trans	-109.2	-36.4	-170.2	-75.7	177.7	0	0	0	114	L211 L233 M236 A237 I240 T245 P251 E252 L253	L211-L249 HydrophobicContact CD1-CD2 3.56Å; L211-L249 HydrophobicContact CD1-CG 4.33Å; L233-L249 HydrophobicContact CB-CD2 4.46Å; L233-L249 HydrophobicContact CD2-CD2 3.99Å; M236-L249 HydrophobicContact CB-CD1 4.13Å; A237-L249 VanDerWaalsContact CA-CD1 3.49Å; A237-L249 HydrophobicContact CB-CD1 3.8Å; I240-L249 HydrophobicContact CD1-CD1 3.48Å; I240-L249 VanDerWaalsContact CD1-CD1 3.48Å; I240-L249 HydrophobicContact CD1-CG 3.82Å; I240-L249 HydrophobicContact CG1-CD1 4.24Å; T245-L249 HydrophobicContact CG2-CB 4.29Å; T245-L249 PolarHBondContact O-N 2.72Å; L249-P251 VanDerWaalsContact C-N 3.34Å; L249-E252 PolarHBondContact O-N 3.48Å; L249-L253 PolarHBondContact O-N 2.9Å
250	L	90.7	Very high	91.8	Very high	7 Å²	7	49.1 Å²	49.1	4%	0.037	28%	0.275	C	S	.	.	H	α-helix	trans	-58.3	-39.8	175	-64.1	-173.1	0	0	0	112.7	T245 E252 L253 L254 M279 L287	T245-L250 HydrophobicContact CG2-CD2 4.32Å; T245-L250 HydrophobicContact CG2-CG 4.37Å; T245-L250 PolarHBondContact O-N 2.96Å; L250-E252 PolarHBondContact O-N 3.5Å; L250-L253 HydrophobicContact CD2-CD1 4.42Å; L250-L253 PolarHBondContact O-N 3.2Å; L250-L254 WeakPolarHBondContact O-CB 3.43Å; L250-L254 WeakPolarHBondContact O-CD1 3.48Å; L250-L254 VanDerWaalsContact O-CG 3.24Å; L250-L254 WeakPolarHBondContact O-CG 3.24Å; L250-L254 PolarHBondContact O-N 2.93Å; L250-M279 HydrophobicContact CD1-CE 3.85Å; L250-M279 HydrophobicContact CD1-CG 4.45Å; L250-M279 HydrophobicContact CD2-CE 4.4Å; L250-M279 HydrophobicContact CD2-SD 4.36Å; L250-L287 HydrophobicContact CB-CD1 4.46Å; L250-L287 HydrophobicContact CD1-CD1 3.62Å
251	P	90.7	Very high	91.7	Very high	61 Å²	61	52 Å²	52	40%	0.396	29%	0.288	S	S	.	.	H	α-helix	trans	-61.1	-42.5	174.3	-24.7	35.8	0	0	0	113.1	L249 L253 L254 E255	L249-P251 VanDerWaalsContact C-N 3.34Å; P251-L253 PolarHBondContact O-N 3.25Å; P251-L254 PolarHBondContact O-N 3.47Å; P251-E255 PolarHBondContact O-N 3.44Å
252	E	93.9	Very high	91.7	Very high	8 Å²	8	52.6 Å²	52.6	4%	0.037	29%	0.288	C	S	.	.	H	α-helix	trans	-67	-37.4	179.1	-156.8	82.7	-164.7	0	0	111.6	R215 R219 L249 L250 L256	R215-E252 WeakPolarHBondContact CA-OE1 3.33Å; R215-E252 WeakPolarHBondContact CD-OE2 3.11Å; R215-E252 HydrophobicContact CG-CG 4.44Å; R215-E252 WeakPolarHBondContact CG-OE2 3.36Å; R215-E252 IonicContact NE-OE2 2.68Å; R215-E252 PolarHBondContact NE-OE2 3Å; R219-E252 IonicContact CZ-OE1 3.95Å; R219-E252 VanDerWaalsContact CZ-OE1 3.27Å; R219-E252 IonicContact CZ-OE2 3.2Å; R219-E252 IonicContact NE-OE1 3.34Å; R219-E252 PolarHBondContact NE-OE1 3.36Å; R219-E252 IonicContact NH2-OE1 2.74Å; R219-E252 PolarHBondContact NH2-OE1 3.06Å; R219-E252 IonicContact NH2-OE2 3.4Å; R219-E252 PolarHBondContact NH2-OE2 3.41Å; L249-E252 PolarHBondContact O-N 3.48Å; L250-E252 PolarHBondContact O-N 3.5Å; E252-L256 WeakPolarHBondContact O-CD1 3.37Å; E252-L256 VanDerWaalsContact O-CG 3.32Å; E252-L256 WeakPolarHBondContact O-CG 3.48Å; E252-L256 PolarHBondContact O-N 3.28Å
253	L	94.3	Very high	91.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-67.7	-35.3	173.4	-79.7	167.9	0	0	0	112.6	L233 L249 L250 P251 L256 A257 I272 L275	L233-L253 HydrophobicContact CB-CD2 4.32Å; L233-L253 HydrophobicContact CD1-CD2 3.81Å; L233-L253 HydrophobicContact CD1-CG 3.91Å; L249-L253 PolarHBondContact O-N 2.9Å; L250-L253 HydrophobicContact CD2-CD1 4.42Å; L250-L253 PolarHBondContact O-N 3.2Å; P251-L253 PolarHBondContact O-N 3.25Å; L253-L256 PolarHBondContact O-N 3.01Å; L253-A257 WeakPolarHBondContact O-CB 3.5Å; L253-A257 PolarHBondContact O-N 2.81Å; L253-I272 HydrophobicContact CB-CD1 4.13Å; L253-I272 HydrophobicContact CB-CG1 3.84Å; L253-I272 HydrophobicContact CD1-CG1 4.34Å; L253-I272 HydrophobicContact CD2-CG1 4.49Å; L253-I272 HydrophobicContact CG-CG1 4.46Å; L253-L275 HydrophobicContact CD1-CD1 3.66Å
254	L	91.9	Very high	92.2	Very high	64 Å²	64	45.5 Å²	45.5	34%	0.335	26%	0.256	S	S	.	.	H	α-helix	trans	-74.5	-33.8	176.3	-70.7	165.7	0	0	0	112.1	L250 P251 A257 G258 I272 L287	L250-L254 WeakPolarHBondContact O-CB 3.43Å; L250-L254 WeakPolarHBondContact O-CD1 3.48Å; L250-L254 VanDerWaalsContact O-CG 3.24Å; L250-L254 WeakPolarHBondContact O-CG 3.24Å; L250-L254 PolarHBondContact O-N 2.93Å; P251-L254 PolarHBondContact O-N 3.47Å; L254-A257 PolarHBondContact O-N 2.93Å; L254-G258 PolarHBondContact O-N 3.17Å; L254-I272 HydrophobicContact CD2-CD1 4.18Å; L254-L287 HydrophobicContact CD1-CD2 3.99Å
255	E	93.4	Very high	92.3	Very high	107 Å²	107	46.9 Å²	46.9	50%	0.5	26%	0.257	S	S	.	.	H	α-helix	trans	-59.7	-46.4	166.7	-75.1	-178.1	-168.3	0	0	110.6	R219 P251 A257 G258 D259	R219-E255 IonicContact CZ-OE2 2.71Å; R219-E255 IonicContact NE-OE2 3.7Å; R219-E255 IonicContact NH1-OE2 2.66Å; R219-E255 PolarHBondContact NH1-OE2 2.84Å; R219-E255 IonicContact NH2-OE1 3.16Å; R219-E255 IonicContact NH2-OE2 2.68Å; R219-E255 PolarHBondContact NH2-OE2 3.47Å; P251-E255 PolarHBondContact O-N 3.44Å; E255-A257 VanDerWaalsContact C-N 3.32Å; E255-A257 PolarHBondContact O-N 2.97Å; E255-G258 CarbonylContact O-C 3.52Å; E255-G258 PolarHBondContact O-N 2.76Å; E255-G258 VanDerWaalsContact O-N 3.1Å; E255-D259 PolarHBondContact O-N 3.04Å
256	L	95.3	Very high	92.4	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-67	-27.1	176.6	-71.4	163.8	0	0	0	113.9	R226 C230 L233 E252 L253 G258 D259 V264 A268	R226-L256 HydrophobicContact CB-CD2 4.25Å; C230-L256 HydrophobicContact CB-CD1 3.96Å; L233-L256 HydrophobicContact CD1-CD1 3.96Å; E252-L256 WeakPolarHBondContact O-CD1 3.37Å; E252-L256 VanDerWaalsContact O-CG 3.32Å; E252-L256 WeakPolarHBondContact O-CG 3.48Å; E252-L256 PolarHBondContact O-N 3.28Å; L253-L256 PolarHBondContact O-N 3.01Å; L256-G258 PolarHBondContact O-N 2.77Å; L256-D259 WeakPolarHBondContact O-CB 3.42Å; L256-D259 PolarHBondContact O-N 3.27Å; L256-V264 HydrophobicContact CB-CG1 4.41Å; L256-V264 HydrophobicContact CD2-CG1 3.71Å; L256-A268 VanDerWaalsContact C-CB 3.49Å; L256-A268 HydrophobicContact CB-CB 3.82Å
257	A	92.1	Very high	92.7	Very high	22 Å²	22	45 Å²	45	18%	0.182	25%	0.252	C	S	.	.	H	α-helix	trans	-70.9	-19.1	173.1	0	0	0	0	0	112.7	L253 L254 E255 R265 A268 I272 L291	L253-A257 WeakPolarHBondContact O-CB 3.5Å; L253-A257 PolarHBondContact O-N 2.81Å; L254-A257 PolarHBondContact O-N 2.93Å; E255-A257 VanDerWaalsContact C-N 3.32Å; E255-A257 PolarHBondContact O-N 2.97Å; A257-R265 WeakPolarHBondContact O-CG 3.47Å; A257-A268 HydrophobicContact CB-CB 4Å; A257-I272 HydrophobicContact CB-CD1 4.09Å; A257-L291 HydrophobicContact CB-CD1 4.39Å
258	G	90.4	Very high	93	Very high	62 Å²	62	40.7 Å²	40.7	64%	0.639	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.3	12.9	172.7	0	0	0	0	0	114.7	L254 E255 L256	L254-G258 PolarHBondContact O-N 3.17Å; E255-G258 CarbonylContact O-C 3.52Å; E255-G258 PolarHBondContact O-N 2.76Å; E255-G258 VanDerWaalsContact O-N 3.1Å; L256-G258 PolarHBondContact O-N 2.77Å
259	D	94.5	Very high	93.1	Very high	24 Å²	24	38.8 Å²	38.8	13%	0.128	22%	0.217	C	C	.	.			trans	-61.3	149.4	-179.4	-162.5	-74.8	0	0	0	112.1	R226 E255 L256 E261 V264 R265	R226-D259 IonicContact CZ-OD1 2.75Å; R226-D259 IonicContact CZ-OD2 3.42Å; R226-D259 IonicContact NE-OD1 2.65Å; R226-D259 IonicContact NE-OD2 3.11Å; R226-D259 PolarHBondContact NE-OD2 3.41Å; R226-D259 IonicContact NH2-OD1 2.92Å; R226-D259 PolarHBondContact NH2-OD1 3.24Å; R226-D259 IonicContact NH2-OD2 3.36Å; R226-D259 PolarHBondContact NH2-OD2 2.65Å; E255-D259 PolarHBondContact O-N 3.04Å; L256-D259 WeakPolarHBondContact O-CB 3.42Å; L256-D259 PolarHBondContact O-N 3.27Å; D259-E261 PolarHBondContact O-N 2.79Å; D259-E261 WeakPolarHBondContact OD1-CB 3.34Å; D259-E261 PolarHBondContact OD1-N 3.07Å; D259-V264 HydrophobicContact CB-CB 3.77Å; D259-V264 HydrophobicContact CB-CG1 3.58Å; D259-R265 HydrophobicContact CB-CG 4.35Å; D259-R265 VanDerWaalsContact O-CD 3.27Å; D259-R265 WeakPolarHBondContact O-CD 3.3Å; D259-R265 WeakPolarHBondContact O-CG 3.35Å; D259-R265 PolarHBondContact O-NH1 3.07Å
260	E	91.8	Very high	93.2	Very high	182 Å²	182	41 Å²	41	85%	0.85	23%	0.229	S	C	*	.	S	Bend	trans	-59.2	-33	175	-60.3	-76.5	177.4	0	0	111.8	R265	E260-R265 PolarHBondContact O-NH1 3.28Å
261	E	92.9	Very high	93.4	Very high	72 Å²	72	40.8 Å²	40.8	34%	0.336	23%	0.228	S	C	.	.	S	Bend	trans	-89.6	127.9	-174.8	-176.6	63.1	-104.7	0	0	113.3	D259 S263 V264 R265	D259-E261 PolarHBondContact O-N 2.79Å; D259-E261 WeakPolarHBondContact OD1-CB 3.34Å; D259-E261 PolarHBondContact OD1-N 3.07Å; E261-S263 WeakPolarHBondContact CG-OG 3.41Å; E261-S263 PolarHBondContact O-N 3.33Å; E261-V264 HydrophobicContact CB-CB 4.28Å; E261-V264 HydrophobicContact CB-CG2 3.77Å; E261-V264 HydrophobicContact CG-CG2 4.02Å; E261-V264 PolarHBondContact O-N 2.91Å; E261-V264 VanDerWaalsContact O-N 3.1Å; E261-R265 PolarHBondContact O-N 2.95Å; E261-R265 VanDerWaalsContact O-N 3.11Å
262	S	90.9	Very high	93.6	Very high	41 Å²	41	38.1 Å²	38.1	29%	0.287	21%	0.21	S	C	.	.	H	α-helix	trans	-46.1	-55.1	178	55.3	0	0	0	0	114.2	V264 R265 L266 D303	S262-V264 VanDerWaalsContact C-N 3.3Å; S262-V264 PolarHBondContact O-N 3.36Å; S262-R265 PolarHBondContact O-N 2.65Å; S262-L266 PolarHBondContact O-N 3.2Å; S262-D303 WeakPolarHBondContact CA-OD2 3.21Å; S262-D303 WeakPolarHBondContact CB-OD2 3.46Å
263	S	93.6	Very high	93.5	Very high	43 Å²	43	37.7 Å²	37.7	30%	0.301	21%	0.208	S	C	.	.	H	α-helix	trans	-70.7	-22.1	-176.1	50.6	0	0	0	0	113.5	I227 E261 A267	I227-S263 WeakPolarHBondContact CD1-OG 3.42Å; E261-S263 WeakPolarHBondContact CG-OG 3.41Å; E261-S263 PolarHBondContact O-N 3.33Å; S263-A267 WeakPolarHBondContact O-CB 3.36Å; S263-A267 PolarHBondContact O-N 2.88Å
264	V	95.6	Very high	93.4	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-74.7	-47.9	170.3	-176.5	0	0	0	0	110.1	R226 I227 L256 D259 E261 S262 L266 A267 A268	R226-V264 HydrophobicContact CB-CG1 4.16Å; R226-V264 HydrophobicContact CB-CG2 4.06Å; I227-V264 HydrophobicContact CD1-CG2 4.33Å; I227-V264 HydrophobicContact CG1-CB 4.35Å; I227-V264 HydrophobicContact CG1-CG2 3.78Å; L256-V264 HydrophobicContact CB-CG1 4.41Å; L256-V264 HydrophobicContact CD2-CG1 3.71Å; D259-V264 HydrophobicContact CB-CB 3.77Å; D259-V264 HydrophobicContact CB-CG1 3.58Å; E261-V264 HydrophobicContact CB-CB 4.28Å; E261-V264 HydrophobicContact CB-CG2 3.77Å; E261-V264 HydrophobicContact CG-CG2 4.02Å; E261-V264 PolarHBondContact O-N 2.91Å; E261-V264 VanDerWaalsContact O-N 3.1Å; S262-V264 VanDerWaalsContact C-N 3.3Å; S262-V264 PolarHBondContact O-N 3.36Å; V264-L266 VanDerWaalsContact C-N 3.29Å; V264-L266 PolarHBondContact O-N 3.1Å; V264-A267 PolarHBondContact O-N 3.32Å; V264-A268 PolarHBondContact O-N 3.45Å
265	R	94	Very high	93.4	Very high	73 Å²	73	36 Å²	36	28%	0.275	20%	0.202	S	C	.	.	H	α-helix	trans	-56.4	-43.1	176.4	-64.5	-171.3	-67.7	-94.5	2.4	112.1	A257 D259 E260 E261 S262 A268 F269 D303	A257-R265 WeakPolarHBondContact O-CG 3.47Å; D259-R265 HydrophobicContact CB-CG 4.35Å; D259-R265 VanDerWaalsContact O-CD 3.27Å; D259-R265 WeakPolarHBondContact O-CD 3.3Å; D259-R265 WeakPolarHBondContact O-CG 3.35Å; D259-R265 PolarHBondContact O-NH1 3.07Å; E260-R265 PolarHBondContact O-NH1 3.28Å; E261-R265 PolarHBondContact O-N 2.95Å; E261-R265 VanDerWaalsContact O-N 3.11Å; S262-R265 PolarHBondContact O-N 2.65Å; R265-A268 PolarHBondContact O-N 3.45Å; R265-F269 WeakPolarHBondContact O-CB 3.46Å; R265-F269 PolarHBondContact O-N 3.42Å; R265-D303 IonicContact CZ-OD2 3.9Å; R265-D303 IonicContact NE-OD2 3.33Å; R265-D303 IonicContact NH2-OD2 3.44Å; R265-D303 PolarHBondContact NH2-OD2 3.47Å
266	L	93.5	Very high	93.3	Very high	37 Å²	37	31.1 Å²	31.1	19%	0.194	18%	0.179	C	C	.	.	H	α-helix	trans	-59	-48.9	173.2	171.9	57.1	0	0	0	112	S262 V264 A268 F269 D270 G305 V306	S262-L266 PolarHBondContact O-N 3.2Å; V264-L266 VanDerWaalsContact C-N 3.29Å; V264-L266 PolarHBondContact O-N 3.1Å; L266-A268 VanDerWaalsContact C-N 3.27Å; L266-A268 PolarHBondContact O-N 3.32Å; L266-F269 PolarHBondContact O-N 3.48Å; L266-D270 PolarHBondContact O-N 2.93Å; L266-G305 WeakPolarHBondContact CD1-O 3.22Å; L266-V306 HydrophobicContact CB-CG2 4.15Å
267	A	95.8	Very high	93.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62	-35	178.6	0	0	0	0	0	112.6	I227 C230 R231 S263 V264 S271	I227-A267 HydrophobicContact CB-CB 4.47Å; I227-A267 HydrophobicContact CG1-CB 4.47Å; I227-A267 HydrophobicContact CG2-CB 4.06Å; C230-A267 HydrophobicContact CB-CB 4.37Å; C230-A267 VanDerWaalsContact SG-C 3.57Å; C230-A267 PolarHBondContact SG-O 2.71Å; R231-A267 HydrophobicContact CG-CB 4.41Å; S263-A267 WeakPolarHBondContact O-CB 3.36Å; S263-A267 PolarHBondContact O-N 2.88Å; V264-A267 PolarHBondContact O-N 3.32Å; A267-S271 VanDerWaalsContact O-CB 3.3Å; A267-S271 WeakPolarHBondContact O-CB 3.33Å; A267-S271 PolarHBondContact O-N 3.32Å; A267-S271 VanDerWaalsContact O-N 3.07Å; A267-S271 PolarHBondContact O-OG 3.24Å
268	A	95.1	Very high	92.9	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-69.2	-47.2	174.4	0	0	0	0	0	112.2	C230 L256 A257 V264 R265 L266 D270 S271 I272	C230-A268 WeakPolarHBondContact SG-CA 3.41Å; C230-A268 PolarHBondContact SG-N 3.07Å; L256-A268 VanDerWaalsContact C-CB 3.49Å; L256-A268 HydrophobicContact CB-CB 3.82Å; A257-A268 HydrophobicContact CB-CB 4Å; V264-A268 PolarHBondContact O-N 3.45Å; R265-A268 PolarHBondContact O-N 3.45Å; L266-A268 VanDerWaalsContact C-N 3.27Å; L266-A268 PolarHBondContact O-N 3.32Å; A268-D270 PolarHBondContact O-N 2.84Å; A268-S271 PolarHBondContact O-N 2.87Å; A268-I272 WeakPolarHBondContact O-CB 3.49Å; A268-I272 WeakPolarHBondContact O-CG1 3.22Å; A268-I272 PolarHBondContact O-N 3.33Å
269	F	93.5	Very high	92.9	Very high	5 Å²	5	36.5 Å²	36.5	2%	0.022	18%	0.184	C	C	.	.	H	α-helix	trans	-56.1	-48.9	175.6	-174.3	-100.8	0	0	0	111.5	R265 L266 S271 I272 I273 L291 A295 V306 L310	R265-F269 WeakPolarHBondContact O-CB 3.46Å; R265-F269 PolarHBondContact O-N 3.42Å; L266-F269 PolarHBondContact O-N 3.48Å; F269-S271 PolarHBondContact O-N 3.49Å; F269-I272 PolarHBondContact O-N 3.1Å; F269-I273 HydrophobicContact CD1-CD1 3.65Å; F269-I273 HydrophobicContact CD2-CD1 4.22Å; F269-I273 HydrophobicContact CE1-CD1 3.35Å; F269-I273 HydrophobicContact CE2-CD1 3.96Å; F269-I273 HydrophobicContact CG-CD1 4.08Å; F269-I273 HydrophobicContact CZ-CD1 3.52Å; F269-I273 WeakPolarHBondContact O-CD1 3.14Å; F269-I273 VanDerWaalsContact O-CG1 3.26Å; F269-I273 WeakPolarHBondContact O-CG1 3.28Å; F269-I273 PolarHBondContact O-N 3.37Å; F269-I273 VanDerWaalsContact O-N 3.1Å; F269-L291 HydrophobicContact CD2-CD2 4.24Å; F269-L291 HydrophobicContact CD2-CG 4.24Å; F269-L291 HydrophobicContact CE2-CG 4.45Å; F269-A295 HydrophobicContact CE2-CB 4Å; F269-A295 HydrophobicContact CZ-CB 4.4Å; F269-V306 HydrophobicContact CD1-CG1 4.14Å; F269-V306 HydrophobicContact CD2-CG1 4.19Å; F269-V306 HydrophobicContact CE1-CG1 4.22Å; F269-V306 HydrophobicContact CE2-CG1 4.28Å; F269-V306 HydrophobicContact CG-CG1 4.11Å; F269-V306 HydrophobicContact CZ-CG1 4.29Å; F269-L310 HydrophobicContact CE1-CB 4.09Å; F269-L310 HydrophobicContact CZ-CB 4.03Å; F269-L310 HydrophobicContact CZ-CD1 4.14Å
270	D	94.2	Very high	92.7	Very high	47 Å²	47	38.1 Å²	38.1	25%	0.251	19%	0.193	S	C	.	.	H	α-helix	trans	-58.3	-47.4	174.7	-74.2	-16.3	0	0	0	112.3	L266 A268 I272 I273 S274 S309 Q313	L266-D270 PolarHBondContact O-N 2.93Å; A268-D270 PolarHBondContact O-N 2.84Å; D270-I272 PolarHBondContact O-N 3.41Å; D270-I273 PolarHBondContact O-N 3.35Å; D270-S274 PolarHBondContact O-N 2.91Å; D270-S309 WeakPolarHBondContact OD1-CB 3.44Å; D270-S309 PolarHBondContact OD1-OG 3.2Å; D270-Q313 PolarHBondContact OD1-NE2 3.35Å
271	S	94.8	Very high	92.5	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-67.7	-34.2	-177.5	-56.8	0	0	0	0	112.4	C230 A267 A268 F269 S274 L275	C230-S271 PolarHBondContact O-OG 2.79Å; A267-S271 VanDerWaalsContact O-CB 3.3Å; A267-S271 WeakPolarHBondContact O-CB 3.33Å; A267-S271 PolarHBondContact O-N 3.32Å; A267-S271 VanDerWaalsContact O-N 3.07Å; A267-S271 PolarHBondContact O-OG 3.24Å; A268-S271 PolarHBondContact O-N 2.87Å; F269-S271 PolarHBondContact O-N 3.49Å; S271-S274 PolarHBondContact O-OG 2.88Å; S271-L275 WeakPolarHBondContact O-CG 3.34Å; S271-L275 PolarHBondContact O-N 3.04Å
272	I	93.7	Very high	92.4	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-67.9	-42.9	175.3	-73.1	167.1	0	0	0	110.3	L253 L254 A257 A268 F269 D270 L275 M276 L288 L291	L253-I272 HydrophobicContact CB-CD1 4.13Å; L253-I272 HydrophobicContact CB-CG1 3.84Å; L253-I272 HydrophobicContact CD1-CG1 4.34Å; L253-I272 HydrophobicContact CD2-CG1 4.49Å; L253-I272 HydrophobicContact CG-CG1 4.46Å; L254-I272 HydrophobicContact CD2-CD1 4.18Å; A257-I272 HydrophobicContact CB-CD1 4.09Å; A268-I272 WeakPolarHBondContact O-CB 3.49Å; A268-I272 WeakPolarHBondContact O-CG1 3.22Å; A268-I272 PolarHBondContact O-N 3.33Å; F269-I272 PolarHBondContact O-N 3.1Å; D270-I272 PolarHBondContact O-N 3.41Å; I272-L275 PolarHBondContact O-N 3.41Å; I272-M276 PolarHBondContact O-N 3.08Å; I272-L288 HydrophobicContact CG2-CD2 3.19Å; I272-L291 HydrophobicContact CB-CD2 4.36Å; I272-L291 HydrophobicContact CD1-CD2 3.85Å; I272-L291 HydrophobicContact CG2-CD2 3.78Å
273	I	92.6	Very high	92.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-76.2	-25.2	-178.9	-57.2	165.8	0	0	0	112	F269 D270 L275 M276 K316 L317	F269-I273 HydrophobicContact CD1-CD1 3.65Å; F269-I273 HydrophobicContact CD2-CD1 4.22Å; F269-I273 HydrophobicContact CE1-CD1 3.35Å; F269-I273 HydrophobicContact CE2-CD1 3.96Å; F269-I273 HydrophobicContact CG-CD1 4.08Å; F269-I273 HydrophobicContact CZ-CD1 3.52Å; F269-I273 WeakPolarHBondContact O-CD1 3.14Å; F269-I273 VanDerWaalsContact O-CG1 3.26Å; F269-I273 WeakPolarHBondContact O-CG1 3.28Å; F269-I273 PolarHBondContact O-N 3.37Å; F269-I273 VanDerWaalsContact O-N 3.1Å; D270-I273 PolarHBondContact O-N 3.35Å; I273-L275 VanDerWaalsContact C-N 3.28Å; I273-M276 PolarHBondContact O-N 3.39Å; I273-K316 HydrophobicContact CG2-CD 4.23Å; I273-K316 PolarHBondContact O-NZ 3.3Å; I273-L317 HydrophobicContact CB-CD2 4.41Å; I273-L317 HydrophobicContact CD1-CD1 4.09Å; I273-L317 HydrophobicContact CD1-CD2 3.88Å; I273-L317 HydrophobicContact CD1-CG 4.39Å; I273-L317 HydrophobicContact CG1-CD2 3.84Å; I273-L317 HydrophobicContact CG2-CD2 3.66Å; I273-L317 HydrophobicContact CG2-CG 4.36Å
274	S	91.9	Very high	92.2	Very high	27 Å²	27	31.9 Å²	31.9	19%	0.189	17%	0.166	C	C	.	.	H	α-helix	trans	-66.7	-31	169	80.4	0	0	0	0	112	E234 D270 S271	E234-S274 WeakPolarHBondContact CG-OG 3.13Å; E234-S274 WeakPolarHBondContact OE2-CB 3.41Å; E234-S274 PolarHBondContact OE2-OG 2.83Å; D270-S274 PolarHBondContact O-N 2.91Å; S271-S274 PolarHBondContact O-OG 2.88Å
275	L	92.2	Very high	92	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-86.9	-6.2	177.3	-67.7	176.8	0	0	0	115.4	E234 A237 T245 L253 S271 I272 I273 E277 M278 M279	E234-L275 HydrophobicContact CG-CD2 3.99Å; E234-L275 HydrophobicContact CG-CG 4.36Å; A237-L275 HydrophobicContact CB-CD1 3.95Å; A237-L275 HydrophobicContact CB-CD2 3.68Å; T245-L275 HydrophobicContact CG2-CD1 4.43Å; L253-L275 HydrophobicContact CD1-CD1 3.66Å; S271-L275 WeakPolarHBondContact O-CG 3.34Å; S271-L275 PolarHBondContact O-N 3.04Å; I272-L275 PolarHBondContact O-N 3.41Å; I273-L275 VanDerWaalsContact C-N 3.28Å; L275-E277 PolarHBondContact O-N 2.88Å; L275-M278 HydrophobicContact CD2-SD 3.72Å; L275-M278 WeakPolarHBondContact O-CA 3.3Å; L275-M278 WeakPolarHBondContact O-CB 3.14Å; L275-M278 PolarHBondContact O-N 3.11Å; L275-M279 PolarHBondContact O-N 3.22Å
276	M	91.9	Very high	91.9	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.025	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-50.9	-32.1	179.9	176.7	173.7	68.7	0	0	114.3	I272 I273 M278 M279 R284 L288 K316 L321	I272-M276 PolarHBondContact O-N 3.08Å; I273-M276 PolarHBondContact O-N 3.39Å; M276-M278 VanDerWaalsContact C-N 3.28Å; M276-M278 PolarHBondContact O-N 2.8Å; M276-M279 PolarHBondContact O-N 3.08Å; M276-R284 PolarHBondContact O-NH2 3.48Å; M276-R284 VanDerWaalsContact O-NH2 3.08Å; M276-L288 HydrophobicContact CB-CD1 3.75Å; M276-L288 HydrophobicContact CG-CD1 3.47Å; M276-L288 VanDerWaalsContact CG-CD1 3.47Å; M276-L288 HydrophobicContact SD-CD1 3.99Å; M276-K316 HydrophobicContact CE-CD 4.11Å; M276-K316 HydrophobicContact CE-CG 3.89Å; M276-L321 HydrophobicContact SD-CD2 4.09Å; M276-L321 HydrophobicContact SD-CG 4.2Å
277	E	89.5	Confident	91.7	Very high	148 Å²	148	38.2 Å²	38.2	69%	0.692	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-72.3	-19.6	178.4	-72.8	164.4	-136	0	0	113.5	L275 K316	L275-E277 PolarHBondContact O-N 2.88Å; E277-K316 WeakPolarHBondContact OE1-CE 3.33Å; E277-K316 IonicContact OE1-NZ 2.7Å
278	M	89.4	Confident	91.5	Very high	45 Å²	45	38.2 Å²	38.2	22%	0.222	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-89.7	-10.2	172.8	-65.4	-179	56.2	0	0	113.3	A237 R238 V242 L275 M276	A237-M278 HydrophobicContact CB-CE 4.34Å; R238-M278 HydrophobicContact CG-SD 3.75Å; V242-M278 WeakPolarHBondContact CG1-O 3.15Å; V242-M278 HydrophobicContact CG2-CE 4.44Å; L275-M278 HydrophobicContact CD2-SD 3.72Å; L275-M278 WeakPolarHBondContact O-CA 3.3Å; L275-M278 WeakPolarHBondContact O-CB 3.14Å; L275-M278 PolarHBondContact O-N 3.11Å; M276-M278 VanDerWaalsContact C-N 3.28Å; M276-M278 PolarHBondContact O-N 2.8Å
279	M	90.2	Very high	91.4	Very high	10 Å²	10	38.3 Å²	38.3	5%	0.049	20%	0.202	C	C	.	.			trans	-90.6	139.8	-175.7	-64.3	171.9	74.6	0	0	111.2	L250 L275 M276 D283 R284 L287 L288	L250-M279 HydrophobicContact CD1-CE 3.85Å; L250-M279 HydrophobicContact CD1-CG 4.45Å; L250-M279 HydrophobicContact CD2-CE 4.4Å; L250-M279 HydrophobicContact CD2-SD 4.36Å; L275-M279 PolarHBondContact O-N 3.22Å; M276-M279 PolarHBondContact O-N 3.08Å; M279-D283 HydrophobicContact CB-CB 3.93Å; M279-D283 HydrophobicContact CE-CB 3.83Å; M279-D283 HydrophobicContact CG-CB 4.42Å; M279-R284 HydrophobicContact CB-CG 4.43Å; M279-R284 PolarHBondContact O-NE 3.16Å; M279-R284 PolarHBondContact O-NH2 3.34Å; M279-L287 HydrophobicContact CE-CB 4.14Å; M279-L287 HydrophobicContact CE-CD1 4.09Å; M279-L288 HydrophobicContact CE-CD1 4.06Å; M279-L288 HydrophobicContact CE-CD2 3.94Å; M279-L288 HydrophobicContact CE-CG 3.6Å; M279-L288 HydrophobicContact SD-CD1 3.77Å; M279-L288 HydrophobicContact SD-CD2 3.95Å; M279-L288 HydrophobicContact SD-CG 3.88Å
280	D	89.4	Confident	91.3	Very high	57 Å²	57	41.3 Å²	41.3	31%	0.305	22%	0.222	S	C	.	.			trans	-78	-175.2	178.1	78.1	10.9	0	0	0	112.7	R246 D282 D283 R284	R246-D280 IonicContact CZ-OD1 3.4Å; R246-D280 IonicContact CZ-OD2 2.72Å; R246-D280 IonicContact NH1-OD2 2.77Å; R246-D280 PolarHBondContact NH1-OD2 3.29Å; R246-D280 VanDerWaalsContact NH2-CG 3.35Å; R246-D280 IonicContact NH2-OD1 3.17Å; R246-D280 PolarHBondContact NH2-OD1 3.24Å; R246-D280 IonicContact NH2-OD2 2.69Å; R246-D280 PolarHBondContact NH2-OD2 3.11Å; D280-D282 VanDerWaalsContact C-N 3.32Å; D280-D282 PolarHBondContact O-N 3.48Å; D280-D282 WeakPolarHBondContact OD1-CA 3.47Å; D280-D282 PolarHBondContact OD1-N 3.45Å; D280-D283 PolarHBondContact OD1-N 2.78Å; D280-R284 WeakPolarHBondContact O-CB 3.12Å; D280-R284 VanDerWaalsContact O-CD 3.28Å; D280-R284 WeakPolarHBondContact O-CD 3.27Å; D280-R284 WeakPolarHBondContact O-CG 3.45Å; D280-R284 PolarHBondContact O-N 2.96Å; D280-R284 VanDerWaalsContact O-N 3.11Å; D280-R284 PolarHBondContact O-NE 3.21Å
281	G	88.2	Confident	91.1	Very high	42 Å²	42	40.8 Å²	40.8	43%	0.433	22%	0.219	S	C	.	.	H	α-helix	trans	-65.5	-33.1	-179.2	0	0	0	0	0	113.9	L285 S324	G281-L285 WeakPolarHBondContact O-CB 3.46Å; G281-L285 PolarHBondContact O-N 2.95Å; G281-L285 VanDerWaalsContact O-N 3.08Å; G281-S324 PolarHBondContact O-OG 3.33Å
282	D	89.4	Confident	91	Very high	95 Å²	95	40.8 Å²	40.8	51%	0.508	22%	0.218	S	C	.	.	H	α-helix	trans	-82	-39.5	-176.5	-67.3	-9.1	0	0	0	110.4	D280 R284 L285 H286	D280-D282 VanDerWaalsContact C-N 3.32Å; D280-D282 PolarHBondContact O-N 3.48Å; D280-D282 WeakPolarHBondContact OD1-CA 3.47Å; D280-D282 PolarHBondContact OD1-N 3.45Å; D282-R284 VanDerWaalsContact C-N 3.32Å; D282-R284 PolarHBondContact O-N 3.26Å; D282-L285 PolarHBondContact O-N 3.03Å; D282-H286 WeakPolarHBondContact O-CB 2.99Å; D282-H286 PolarHBondContact O-CD2 3.32Å; D282-H286 VanDerWaalsContact O-CD2 3.24Å; D282-H286 PolarHBondContact O-N 2.74Å
283	D	88.6	Confident	90.9	Very high	12 Å²	12	41.9 Å²	41.9	6%	0.064	22%	0.224	C	C	.	.	H	α-helix	trans	-63.7	-38	172	-74.2	-19.4	0	0	0	111.6	R246 M279 D280 L287 L288	R246-D283 WeakPolarHBondContact CD-OD2 3.48Å; R246-D283 WeakPolarHBondContact CG-OD2 3.33Å; R246-D283 IonicContact CZ-OD1 3.38Å; R246-D283 IonicContact CZ-OD2 2.66Å; R246-D283 VanDerWaalsContact NE-CG 3.3Å; R246-D283 IonicContact NE-OD1 3.62Å; R246-D283 PolarHBondContact NE-OD1 2.79Å; R246-D283 IonicContact NE-OD2 3.47Å; R246-D283 PolarHBondContact NE-OD2 3.44Å; R246-D283 IonicContact NH2-OD1 2.7Å; R246-D283 PolarHBondContact NH2-OD1 2.97Å; R246-D283 IonicContact NH2-OD2 2.87Å; M279-D283 HydrophobicContact CB-CB 3.93Å; M279-D283 HydrophobicContact CE-CB 3.83Å; M279-D283 HydrophobicContact CG-CB 4.42Å; D280-D283 PolarHBondContact OD1-N 2.78Å; D283-L287 HydrophobicContact CB-CD1 4.22Å; D283-L287 WeakPolarHBondContact O-CA 3.22Å; D283-L287 VanDerWaalsContact O-CB 3.22Å; D283-L287 WeakPolarHBondContact O-CB 3.44Å; D283-L287 PolarHBondContact O-N 2.87Å; D283-L288 PolarHBondContact O-N 3.11Å
284	R	92.1	Very high	90.7	Very high	58 Å²	58	45.1 Å²	45.1	22%	0.219	25%	0.247	C	C	.	.	I	π-helix	trans	-62.2	-47.2	171.1	-72.6	165.2	-158.4	-130.8	3.3	111.2	M276 M279 D280 D282 L288 V289 G320 L321	M276-R284 PolarHBondContact O-NH2 3.48Å; M276-R284 VanDerWaalsContact O-NH2 3.08Å; M279-R284 HydrophobicContact CB-CG 4.43Å; M279-R284 PolarHBondContact O-NE 3.16Å; M279-R284 PolarHBondContact O-NH2 3.34Å; D280-R284 WeakPolarHBondContact O-CB 3.12Å; D280-R284 VanDerWaalsContact O-CD 3.28Å; D280-R284 WeakPolarHBondContact O-CD 3.27Å; D280-R284 WeakPolarHBondContact O-CG 3.45Å; D280-R284 PolarHBondContact O-N 2.96Å; D280-R284 VanDerWaalsContact O-N 3.11Å; D280-R284 PolarHBondContact O-NE 3.21Å; D282-R284 VanDerWaalsContact C-N 3.32Å; D282-R284 PolarHBondContact O-N 3.26Å; R284-L288 HydrophobicContact CG-CD1 4.09Å; R284-L288 PolarHBondContact O-N 2.75Å; R284-V289 WeakPolarHBondContact O-CG2 3.46Å; R284-V289 PolarHBondContact O-N 3.17Å; R284-G320 PolarHBondContact NH1-O 3.29Å; R284-L321 HydrophobicContact CB-CD2 3.84Å; R284-L321 HydrophobicContact CG-CD2 3.98Å
285	L	92.8	Very high	90.5	Very high	69 Å²	69	44.2 Å²	44.2	36%	0.361	24%	0.241	S	C	.	.	I	π-helix	trans	-67.1	-40.7	-178.1	177.5	61.6	0	0	0	113.2	G281 D282 P290 S324	G281-L285 WeakPolarHBondContact O-CB 3.46Å; G281-L285 PolarHBondContact O-N 2.95Å; G281-L285 VanDerWaalsContact O-N 3.08Å; D282-L285 PolarHBondContact O-N 3.03Å; L285-P290 WeakPolarHBondContact O-CD 3.45Å; L285-S324 WeakPolarHBondContact CD1-O 3.43Å
286	H	90.3	Very high	90.2	Very high	126 Å²	126	44.3 Å²	44.3	58%	0.583	24%	0.241	S	C	*	.	I	π-helix	trans	-100.9	-18.4	-170.2	-65.4	-56.7	0	0	0	114.6	D282	D282-H286 WeakPolarHBondContact O-CB 2.99Å; D282-H286 PolarHBondContact O-CD2 3.32Å; D282-H286 VanDerWaalsContact O-CD2 3.24Å; D282-H286 PolarHBondContact O-N 2.74Å
287	L	89.3	Confident	89.8	Confident	48 Å²	48	47.5 Å²	47.5	25%	0.251	26%	0.258	S	S	.	.	I	π-helix	trans	-115.6	-56	-179.9	-46.7	175.4	0	0	0	111.6	L250 L254 M279 D283 L291	L250-L287 HydrophobicContact CB-CD1 4.46Å; L250-L287 HydrophobicContact CD1-CD1 3.62Å; L254-L287 HydrophobicContact CD1-CD2 3.99Å; M279-L287 HydrophobicContact CE-CB 4.14Å; M279-L287 HydrophobicContact CE-CD1 4.09Å; D283-L287 HydrophobicContact CB-CD1 4.22Å; D283-L287 WeakPolarHBondContact O-CA 3.22Å; D283-L287 VanDerWaalsContact O-CB 3.22Å; D283-L287 WeakPolarHBondContact O-CB 3.44Å; D283-L287 PolarHBondContact O-N 2.87Å; L287-L291 WeakPolarHBondContact O-CB 3.44Å; L287-L291 PolarHBondContact O-N 3.25Å
288	L	91.6	Very high	88.5	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	27%	0.266	C	S	.	.	I	π-helix	trans	-71.8	-44.5	-175.8	-66	-177.9	0	0	0	113.3	I272 M276 M279 D283 R284 L291 V292 L321	I272-L288 HydrophobicContact CG2-CD2 3.19Å; M276-L288 HydrophobicContact CB-CD1 3.75Å; M276-L288 HydrophobicContact CG-CD1 3.47Å; M276-L288 VanDerWaalsContact CG-CD1 3.47Å; M276-L288 HydrophobicContact SD-CD1 3.99Å; M279-L288 HydrophobicContact CE-CD1 4.06Å; M279-L288 HydrophobicContact CE-CD2 3.94Å; M279-L288 HydrophobicContact CE-CG 3.6Å; M279-L288 HydrophobicContact SD-CD1 3.77Å; M279-L288 HydrophobicContact SD-CD2 3.95Å; M279-L288 HydrophobicContact SD-CG 3.88Å; D283-L288 PolarHBondContact O-N 3.11Å; R284-L288 HydrophobicContact CG-CD1 4.09Å; R284-L288 PolarHBondContact O-N 2.75Å; L288-L291 PolarHBondContact O-N 3.36Å; L288-V292 WeakPolarHBondContact O-CB 3.49Å; L288-V292 VanDerWaalsContact O-CG2 3.31Å; L288-V292 WeakPolarHBondContact O-CG2 3.44Å; L288-V292 PolarHBondContact O-N 3.24Å; L288-L321 HydrophobicContact CB-CD1 4.33Å; L288-L321 HydrophobicContact CB-CD2 3.82Å; L288-L321 HydrophobicContact CD1-CD2 3.92Å
289	V	93.6	Very high	87.2	Confident	2 Å²	2	48 Å²	48	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-59.5	-52.1	-179.9	167.8	0	0	0	0	110.5	R284 L291 V292 M293 L321 L325 Q329	R284-V289 WeakPolarHBondContact O-CG2 3.46Å; R284-V289 PolarHBondContact O-N 3.17Å; V289-L291 PolarHBondContact O-N 3.1Å; V289-V292 PolarHBondContact O-N 3.08Å; V289-M293 HydrophobicContact CG1-CG 3.97Å; V289-M293 WeakPolarHBondContact O-CB 3.26Å; V289-M293 WeakPolarHBondContact O-CG 3.37Å; V289-M293 PolarHBondContact O-N 3.4Å; V289-L321 HydrophobicContact CG2-CB 4.47Å; V289-L321 HydrophobicContact CG2-CD1 4.22Å; V289-L321 HydrophobicContact CG2-CD2 4.39Å; V289-L325 HydrophobicContact CG1-CD2 4.06Å; V289-L325 HydrophobicContact CG2-CD2 3.88Å; V289-L325 HydrophobicContact CG2-CG 4.3Å; V289-Q329 VanDerWaalsContact CG1-NE2 3.28Å
290	P	92	Very high	85.8	Confident	68 Å²	68	50.2 Å²	50.2	44%	0.442	31%	0.305	S	S	.	.	H	α-helix	trans	-55.6	-43.2	175.2	-29.3	38.1	0	0	0	114.5	L285 M293 S294	L285-P290 WeakPolarHBondContact O-CD 3.45Å; P290-M293 PolarHBondContact O-N 2.93Å; P290-S294 VanDerWaalsContact O-CB 3.3Å; P290-S294 WeakPolarHBondContact O-CB 3.38Å; P290-S294 PolarHBondContact O-N 2.55Å
291	L	90.4	Very high	84.4	Confident	36 Å²	36	57 Å²	57	19%	0.188	34%	0.335	C	S	.	.	H	α-helix	trans	-61.9	-47.9	178.1	-178.7	65.9	0	0	0	112	A257 F269 I272 L287 L288 V289 S294 A295	A257-L291 HydrophobicContact CB-CD1 4.39Å; F269-L291 HydrophobicContact CD2-CD2 4.24Å; F269-L291 HydrophobicContact CD2-CG 4.24Å; F269-L291 HydrophobicContact CE2-CG 4.45Å; I272-L291 HydrophobicContact CB-CD2 4.36Å; I272-L291 HydrophobicContact CD1-CD2 3.85Å; I272-L291 HydrophobicContact CG2-CD2 3.78Å; L287-L291 WeakPolarHBondContact O-CB 3.44Å; L287-L291 PolarHBondContact O-N 3.25Å; L288-L291 PolarHBondContact O-N 3.36Å; V289-L291 PolarHBondContact O-N 3.1Å; L291-S294 PolarHBondContact O-N 3.4Å; L291-A295 PolarHBondContact O-N 3.21Å
292	V	91.9	Very high	83.3	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.012	32%	0.324	C	S	.	.	H	α-helix	trans	-70.4	-37.5	-179.9	175.1	0	0	0	0	111.4	L288 V289 S294 A295 C296 L317 L321 L333	L288-V292 WeakPolarHBondContact O-CB 3.49Å; L288-V292 VanDerWaalsContact O-CG2 3.31Å; L288-V292 WeakPolarHBondContact O-CG2 3.44Å; L288-V292 PolarHBondContact O-N 3.24Å; V289-V292 PolarHBondContact O-N 3.08Å; V292-S294 VanDerWaalsContact C-N 3.34Å; V292-A295 PolarHBondContact O-N 3Å; V292-C296 WeakPolarHBondContact O-CB 3.31Å; V292-C296 PolarHBondContact O-N 2.9Å; V292-C296 PolarHBondContact O-SG 3.44Å; V292-L317 HydrophobicContact CG1-CD1 4.17Å; V292-L317 HydrophobicContact CG2-CD1 4.05Å; V292-L317 HydrophobicContact CG2-CD2 3.89Å; V292-L317 HydrophobicContact CG2-CG 4.5Å; V292-L321 HydrophobicContact CB-CD1 4.44Å; V292-L321 HydrophobicContact CG2-CD1 4.13Å; V292-L333 HydrophobicContact CG1-CD2 4.05Å
293	M	92.1	Very high	82.6	Confident	28 Å²	28	53.6 Å²	53.6	14%	0.138	31%	0.308	C	S	.	.	H	α-helix	trans	-65.3	-38.9	174.4	-64.8	-41	-62.3	0	0	111.2	V289 P290 C296 D297 L325 Q329 L332 L333	V289-M293 HydrophobicContact CG1-CG 3.97Å; V289-M293 WeakPolarHBondContact O-CB 3.26Å; V289-M293 WeakPolarHBondContact O-CG 3.37Å; V289-M293 PolarHBondContact O-N 3.4Å; P290-M293 PolarHBondContact O-N 2.93Å; M293-C296 CarbonylContact O-C 3.58Å; M293-C296 PolarHBondContact O-N 3.29Å; M293-D297 PolarHBondContact O-N 2.91Å; M293-L325 HydrophobicContact SD-CD2 4.33Å; M293-Q329 HydrophobicContact CE-CB 4.04Å; M293-Q329 HydrophobicContact CE-CG 4.08Å; M293-Q329 HydrophobicContact CG-CG 4.32Å; M293-Q329 HydrophobicContact SD-CB 3.9Å; M293-Q329 HydrophobicContact SD-CG 4.05Å; M293-L332 HydrophobicContact CE-CB 3.98Å; M293-L332 HydrophobicContact CE-CD2 3.66Å; M293-L332 HydrophobicContact CE-CG 4.15Å; M293-L333 HydrophobicContact SD-CD2 4.11Å; M293-L333 HydrophobicContact SD-CG 4.2Å
294	S	88.6	Confident	82.3	Confident	68 Å²	68	56.7 Å²	56.7	48%	0.476	32%	0.323	S	S	.	.	H	α-helix	trans	-66.9	-41.1	176.5	-177.1	0	0	0	0	112.7	P290 L291 V292 C296 D297	P290-S294 VanDerWaalsContact O-CB 3.3Å; P290-S294 WeakPolarHBondContact O-CB 3.38Å; P290-S294 PolarHBondContact O-N 2.55Å; L291-S294 PolarHBondContact O-N 3.4Å; V292-S294 VanDerWaalsContact C-N 3.34Å; S294-C296 PolarHBondContact O-N 3.4Å; S294-D297 WeakPolarHBondContact O-CB 3.46Å; S294-D297 PolarHBondContact O-N 2.98Å
295	A	86.6	Confident	82.1	Confident	8 Å²	8	54.9 Å²	54.9	7%	0.066	32%	0.322	C	S	.	.	H	α-helix	trans	-68.3	-22.3	171.6	0	0	0	0	0	113	F269 L291 V292 V306 L310	F269-A295 HydrophobicContact CE2-CB 4Å; F269-A295 HydrophobicContact CZ-CB 4.4Å; L291-A295 PolarHBondContact O-N 3.21Å; V292-A295 PolarHBondContact O-N 3Å; A295-V306 HydrophobicContact CB-CG1 4.38Å; A295-L310 HydrophobicContact CB-CD2 4.13Å; A295-L310 WeakPolarHBondContact O-CD2 3.31Å
296	C	86.6	Confident	81.8	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.02	31%	0.308	C	S	.	.	H	α-helix	trans	-82.8	-18.6	172.7	-70.1	0	0	0	0	113.9	V292 M293 S294 L333 K336	V292-C296 WeakPolarHBondContact O-CB 3.31Å; V292-C296 PolarHBondContact O-N 2.9Å; V292-C296 PolarHBondContact O-SG 3.44Å; M293-C296 CarbonylContact O-C 3.58Å; M293-C296 PolarHBondContact O-N 3.29Å; S294-C296 PolarHBondContact O-N 3.4Å; C296-L333 HydrophobicContact CB-CD2 4.35Å; C296-L333 WeakPolarHBondContact SG-CD2 3.34Å; C296-K336 HydrophobicContact CB-CB 4.4Å; C296-K336 HydrophobicContact CB-CD 4.48Å; C296-K336 HydrophobicContact CB-CG 4.11Å; C296-K336 VanDerWaalsContact O-CD 3.27Å; C296-K336 WeakPolarHBondContact O-CD 3.37Å; C296-K336 VanDerWaalsContact O-CE 3.3Å; C296-K336 WeakPolarHBondContact O-CE 3.44Å; C296-K336 PolarHBondContact O-NZ 2.71Å
297	D	82.9	Confident	81.8	Confident	71 Å²	71	47.3 Å²	47.3	38%	0.38	29%	0.286	S	S	.	.			trans	-57.9	142.8	-178.9	-158	-43.3	0	0	0	111.4	M293 S294 S299 K336	M293-D297 PolarHBondContact O-N 2.91Å; S294-D297 WeakPolarHBondContact O-CB 3.46Å; S294-D297 PolarHBondContact O-N 2.98Å; D297-S299 VanDerWaalsContact CG-OG 3.3Å; D297-S299 WeakPolarHBondContact OD1-CB 3.5Å; D297-S299 PolarHBondContact OD1-N 3.31Å; D297-S299 PolarHBondContact OD1-OG 3.31Å; D297-S299 PolarHBondContact OD2-OG 3.33Å; D297-K336 PolarHBondContact O-NZ 3.32Å
298	A	63.3	Low	81.9	Confident	102 Å²	102	46.3 Å²	46.3	84%	0.843	28%	0.282	S	S	*	.	S	Bend	trans	-95.4	-10.9	178.6	0	0	0	0	0	112.9
299	S	60.6	Low	82	Confident	103 Å²	103	46.9 Å²	46.9	72%	0.72	29%	0.286	S	S	*	.	S	Bend	trans	-89.9	-17.2	174.6	68.6	0	0	0	0	113.4	D297	D297-S299 VanDerWaalsContact CG-OG 3.3Å; D297-S299 WeakPolarHBondContact OD1-CB 3.5Å; D297-S299 PolarHBondContact OD1-N 3.31Å; D297-S299 PolarHBondContact OD1-OG 3.31Å; D297-S299 PolarHBondContact OD2-OG 3.33Å
300	S	60.8	Low	82	Confident	55 Å²	55	46.8 Å²	46.8	39%	0.385	29%	0.285	S	S	.	.	S	Bend	trans	-77.9	138.9	175.3	-175.6	0	0	0	0	110.9	V302	S300-V302 PolarHBondContact O-N 2.92Å
301	Q	61.1	Low	82.2	Confident	200 Å²	200	43.6 Å²	43.6	94%	0.935	26%	0.264	S	S	*	.			trans	-76.2	71.2	164.1	-68.6	-170.8	2	0	0	108.7
302	V	64.6	Low	82.5	Confident	33 Å²	33	47 Å²	47	20%	0.2	28%	0.278	C	S	.	.			trans	-67.4	133.5	179.6	-168.3	0	0	0	0	109.3	S300 V306 M307	S300-V302 PolarHBondContact O-N 2.92Å; V302-V306 HydrophobicContact CG1-CB 4.33Å; V302-V306 HydrophobicContact CG1-CG1 4.12Å; V302-M307 HydrophobicContact CB-CG 4Å; V302-M307 HydrophobicContact CB-SD 3.87Å; V302-M307 HydrophobicContact CG1-CG 3.8Å; V302-M307 HydrophobicContact CG1-SD 3.61Å; V302-M307 HydrophobicContact CG2-SD 4.43Å
303	D	75.7	Confident	82.7	Confident	33 Å²	33	48.2 Å²	48.2	18%	0.176	28%	0.284	C	S	.	.			trans	-55.4	132.6	179.5	-151.3	-82.1	0	0	0	112.1	S262 R265 G305 V306 M307	S262-D303 WeakPolarHBondContact CA-OD2 3.21Å; S262-D303 WeakPolarHBondContact CB-OD2 3.46Å; R265-D303 IonicContact CZ-OD2 3.9Å; R265-D303 IonicContact NE-OD2 3.33Å; R265-D303 IonicContact NH2-OD2 3.44Å; R265-D303 PolarHBondContact NH2-OD2 3.47Å; D303-G305 VanDerWaalsContact C-N 3.25Å; D303-G305 PolarHBondContact O-N 3.14Å; D303-G305 PolarHBondContact OD1-N 3.32Å; D303-V306 HydrophobicContact CB-CB 3.85Å; D303-V306 HydrophobicContact CB-CG2 3.71Å; D303-V306 PolarHBondContact O-N 3.47Å; D303-M307 WeakPolarHBondContact O-CG 2.83Å; D303-M307 PolarHBondContact O-N 3.49Å
304	E	82.2	Confident	82.9	Confident	77 Å²	77	47 Å²	47	36%	0.36	28%	0.277	S	S	.	.	H	α-helix	trans	-60.1	-38.7	-177.8	-157.4	169.5	-167.8	0	0	110.8	M307 V308 M352	E304-M307 WeakPolarHBondContact O-CB 3.46Å; E304-M307 PolarHBondContact O-N 3.3Å; E304-V308 WeakPolarHBondContact O-CG2 3.47Å; E304-V308 PolarHBondContact O-N 3.19Å; E304-M352 HydrophobicContact CG-CE 3.96Å; E304-M352 WeakPolarHBondContact OE1-CE 3.5Å
305	G	86.6	Confident	83.2	Confident	20 Å²	20	43.8 Å²	43.8	21%	0.206	26%	0.255	C	S	.	.	H	α-helix	trans	-65.5	-39.3	174.3	0	0	0	0	0	113.6	L266 D303 V308 S309	L266-G305 WeakPolarHBondContact CD1-O 3.22Å; D303-G305 VanDerWaalsContact C-N 3.25Å; D303-G305 PolarHBondContact O-N 3.14Å; D303-G305 PolarHBondContact OD1-N 3.32Å; G305-V308 PolarHBondContact O-N 3.19Å; G305-S309 PolarHBondContact O-N 2.88Å
306	V	88	Confident	83.6	Confident	12 Å²	12	46.7 Å²	46.7	7%	0.073	27%	0.266	C	S	.	.	H	α-helix	trans	-66.5	-38.6	173.4	174.6	0	0	0	0	110.5	L266 F269 A295 V302 D303 S309 L310	L266-V306 HydrophobicContact CB-CG2 4.15Å; F269-V306 HydrophobicContact CD1-CG1 4.14Å; F269-V306 HydrophobicContact CD2-CG1 4.19Å; F269-V306 HydrophobicContact CE1-CG1 4.22Å; F269-V306 HydrophobicContact CE2-CG1 4.28Å; F269-V306 HydrophobicContact CG-CG1 4.11Å; F269-V306 HydrophobicContact CZ-CG1 4.29Å; A295-V306 HydrophobicContact CB-CG1 4.38Å; V302-V306 HydrophobicContact CG1-CB 4.33Å; V302-V306 HydrophobicContact CG1-CG1 4.12Å; D303-V306 HydrophobicContact CB-CB 3.85Å; D303-V306 HydrophobicContact CB-CG2 3.71Å; D303-V306 PolarHBondContact O-N 3.47Å; V306-S309 PolarHBondContact O-N 3.09Å; V306-L310 WeakPolarHBondContact O-CB 3.15Å; V306-L310 PolarHBondContact O-N 2.95Å
307	M	89.5	Confident	84.1	Confident	24 Å²	24	46.7 Å²	46.7	12%	0.118	27%	0.266	C	S	.	.	H	α-helix	trans	-63.3	-41.4	174.9	-74.7	-54.8	-46	0	0	112.3	V302 D303 E304 L310 S311 L340	V302-M307 HydrophobicContact CB-CG 4Å; V302-M307 HydrophobicContact CB-SD 3.87Å; V302-M307 HydrophobicContact CG1-CG 3.8Å; V302-M307 HydrophobicContact CG1-SD 3.61Å; V302-M307 HydrophobicContact CG2-SD 4.43Å; D303-M307 WeakPolarHBondContact O-CG 2.83Å; D303-M307 PolarHBondContact O-N 3.49Å; E304-M307 WeakPolarHBondContact O-CB 3.46Å; E304-M307 PolarHBondContact O-N 3.3Å; M307-L310 HydrophobicContact CE-CD2 4.03Å; M307-L310 HydrophobicContact SD-CD2 4.03Å; M307-S311 WeakPolarHBondContact O-CB 3.33Å; M307-S311 PolarHBondContact O-N 3.29Å; M307-L340 HydrophobicContact CE-CD2 3.61Å
308	V	92.2	Very high	84.7	Confident	26 Å²	26	43.3 Å²	43.3	16%	0.158	25%	0.248	C	C	.	.	H	α-helix	trans	-62.8	-47.3	173.7	172.1	0	0	0	0	110.9	E304 G305 S311 F312 E356 L359 I360	E304-V308 WeakPolarHBondContact O-CG2 3.47Å; E304-V308 PolarHBondContact O-N 3.19Å; G305-V308 PolarHBondContact O-N 3.19Å; V308-S311 PolarHBondContact O-N 3.41Å; V308-S311 PolarHBondContact O-OG 3.06Å; V308-F312 PolarHBondContact O-N 3.29Å; V308-F312 VanDerWaalsContact O-N 3.1Å; V308-E356 HydrophobicContact CG2-CB 4.31Å; V308-E356 WeakPolarHBondContact CG2-OE2 3.23Å; V308-L359 HydrophobicContact CG1-CD2 3.81Å; V308-L359 HydrophobicContact CG1-CG 4.41Å; V308-I360 HydrophobicContact CG2-CD1 4.11Å; V308-I360 HydrophobicContact CG2-CG1 4.08Å
309	S	93.4	Very high	86.1	Confident	14 Å²	14	41.5 Å²	41.5	10%	0.098	23%	0.229	C	C	.	.	H	α-helix	trans	-66.6	-42.1	177.7	-173.6	0	0	0	0	113	D270 G305 V306 S311 F312 Q313	D270-S309 WeakPolarHBondContact OD1-CB 3.44Å; D270-S309 PolarHBondContact OD1-OG 3.2Å; G305-S309 PolarHBondContact O-N 2.88Å; V306-S309 PolarHBondContact O-N 3.09Å; S309-S311 VanDerWaalsContact C-N 3.29Å; S309-S311 PolarHBondContact O-N 3.1Å; S309-F312 PolarHBondContact O-N 2.74Å; S309-Q313 WeakPolarHBondContact O-CG 3.29Å; S309-Q313 PolarHBondContact O-N 2.9Å; S309-Q313 PolarHBondContact OG-NE2 3.07Å
310	L	93.9	Very high	87.7	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-54.5	-45.2	172.7	171.8	60.9	0	0	0	110.8	F269 A295 V306 M307 F312 Q313 F314 L317	F269-L310 HydrophobicContact CE1-CB 4.09Å; F269-L310 HydrophobicContact CZ-CB 4.03Å; F269-L310 HydrophobicContact CZ-CD1 4.14Å; A295-L310 HydrophobicContact CB-CD2 4.13Å; A295-L310 WeakPolarHBondContact O-CD2 3.31Å; V306-L310 WeakPolarHBondContact O-CB 3.15Å; V306-L310 PolarHBondContact O-N 2.95Å; M307-L310 HydrophobicContact CE-CD2 4.03Å; M307-L310 HydrophobicContact SD-CD2 4.03Å; L310-F312 VanDerWaalsContact C-N 3.35Å; L310-F312 PolarHBondContact O-N 3.39Å; L310-Q313 PolarHBondContact O-N 3.33Å; L310-F314 HydrophobicContact CD1-CD2 3.74Å; L310-F314 HydrophobicContact CD1-CE2 3.95Å; L310-F314 HydrophobicContact CG-CD2 3.96Å; L310-F314 HydrophobicContact CG-CE2 4.2Å; L310-F314 WeakPolarHBondContact O-CA 3.4Å; L310-F314 VanDerWaalsContact O-CB 3.29Å; L310-F314 WeakPolarHBondContact O-CB 3.43Å; L310-F314 PolarHBondContact O-N 2.9Å; L310-L317 HydrophobicContact CD1-CD1 3.72Å
311	S	95.6	Very high	89.3	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.7	-37.7	176.7	77.8	0	0	0	0	112.8	M307 V308 S309 N363 N367	M307-S311 WeakPolarHBondContact O-CB 3.33Å; M307-S311 PolarHBondContact O-N 3.29Å; V308-S311 PolarHBondContact O-N 3.41Å; V308-S311 PolarHBondContact O-OG 3.06Å; S309-S311 VanDerWaalsContact C-N 3.29Å; S309-S311 PolarHBondContact O-N 3.1Å; S311-N363 WeakPolarHBondContact OG-CB 3.4Å; S311-N363 PolarHBondContact OG-ND2 3.13Å; S311-N367 PolarHBondContact O-ND2 3.01Å
312	F	96.3	Very high	90.8	Very high	107 Å²	107	27.2 Å²	27.2	47%	0.469	16%	0.157	S	C	.	.	H	α-helix	trans	-69.2	-39.6	177.9	-179.9	-112.3	0	0	0	112.2	V308 S309 L310 Y366 N367	V308-F312 PolarHBondContact O-N 3.29Å; V308-F312 VanDerWaalsContact O-N 3.1Å; S309-F312 PolarHBondContact O-N 2.74Å; L310-F312 VanDerWaalsContact C-N 3.35Å; L310-F312 PolarHBondContact O-N 3.39Å; F312-Y366 HydrophobicContact CE2-CD1 4.5Å; F312-Y366 HydrophobicContact CE2-CE1 4.38Å; F312-N367 PolarHBondContact O-ND2 2.84Å
313	Q	95.4	Very high	92.1	Very high	29 Å²	29	29.7 Å²	29.7	14%	0.136	19%	0.189	C	C	.	.	H	α-helix	trans	-95	-0.1	-175.4	-56.8	-166.6	63.2	0	0	114	D270 S309 L310 G315 K316 L317	D270-Q313 PolarHBondContact OD1-NE2 3.35Å; S309-Q313 WeakPolarHBondContact O-CG 3.29Å; S309-Q313 PolarHBondContact O-N 2.9Å; S309-Q313 PolarHBondContact OG-NE2 3.07Å; L310-Q313 PolarHBondContact O-N 3.33Å; Q313-G315 PolarHBondContact O-N 3.12Å; Q313-K316 WeakPolarHBondContact O-CA 3.45Å; Q313-K316 VanDerWaalsContact O-CB 3.31Å; Q313-K316 WeakPolarHBondContact O-CB 3.36Å; Q313-K316 PolarHBondContact O-N 2.86Å; Q313-L317 PolarHBondContact O-N 2.78Å
314	F	96.4	Very high	93	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.009	19%	0.188	C	C	.	.	H	α-helix	trans	-53.5	-44.7	-166.7	-151.5	-85.4	0	0	0	114.5	L310 L317 C318 L333 K336 F337 L340 M371	L310-F314 HydrophobicContact CD1-CD2 3.74Å; L310-F314 HydrophobicContact CD1-CE2 3.95Å; L310-F314 HydrophobicContact CG-CD2 3.96Å; L310-F314 HydrophobicContact CG-CE2 4.2Å; L310-F314 WeakPolarHBondContact O-CA 3.4Å; L310-F314 VanDerWaalsContact O-CB 3.29Å; L310-F314 WeakPolarHBondContact O-CB 3.43Å; L310-F314 PolarHBondContact O-N 2.9Å; F314-L317 PolarHBondContact O-N 3.13Å; F314-C318 WeakPolarHBondContact CE1-SG 3.2Å; F314-C318 WeakPolarHBondContact O-CB 3.3Å; F314-C318 PolarHBondContact O-N 3.36Å; F314-C318 PolarHBondContact O-SG 2.92Å; F314-L333 HydrophobicContact CE1-CB 4.4Å; F314-L333 WeakPolarHBondContact CE1-O 3.32Å; F314-L333 HydrophobicContact CZ-CB 4.3Å; F314-L333 HydrophobicContact CZ-CD2 4.19Å; F314-L333 VanDerWaalsContact CZ-O 3.27Å; F314-L333 WeakPolarHBondContact CZ-O 3.26Å; F314-K336 HydrophobicContact CE2-CB 4.47Å; F314-K336 HydrophobicContact CE2-CG 4.2Å; F314-K336 HydrophobicContact CZ-CB 4.21Å; F314-K336 HydrophobicContact CZ-CG 4.43Å; F314-F337 HydrophobicContact CD1-CB 4.21Å; F314-F337 AromaticContact CD1-CD2 3.84Å; F314-F337 HydrophobicContact CD1-CD2 3.84Å; F314-F337 HydrophobicContact CD1-CG 4.42Å; F314-F337 HydrophobicContact CE1-CB 3.74Å; F314-F337 HydrophobicContact CE1-CD2 4.26Å; F314-F337 HydrophobicContact CE1-CG 4.42Å; F314-F337 HydrophobicContact CG-CD2 4.33Å; F314-F337 HydrophobicContact CZ-CB 4.22Å; F314-L340 HydrophobicContact CD2-CD1 3.77Å; F314-L340 HydrophobicContact CE2-CD1 3.8Å; F314-M371 HydrophobicContact CD1-CE 4.17Å; F314-M371 HydrophobicContact CD1-SD 3.7Å; F314-M371 HydrophobicContact CE1-CE 3.96Å; F314-M371 HydrophobicContact CE1-SD 4.1Å
315	G	95.8	Very high	93.6	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-71.9	-31.2	178.8	0	0	0	0	0	113.3	Q313 S319 N367	Q313-G315 PolarHBondContact O-N 3.12Å; G315-S319 VanDerWaalsContact O-CB 3.26Å; G315-S319 WeakPolarHBondContact O-CB 3.49Å; G315-S319 PolarHBondContact O-N 3.45Å; G315-S319 PolarHBondContact O-OG 3.43Å; G315-N367 VanDerWaalsContact CA-OD1 3.25Å; G315-N367 WeakPolarHBondContact CA-OD1 3.47Å; G315-N367 PolarHBondContact N-OD1 3.45Å
316	K	95.3	Very high	94	Very high	69 Å²	69	27.9 Å²	27.9	30%	0.3	18%	0.183	S	C	.	.	H	α-helix	trans	-64.1	-46.5	170.7	-168.5	-161.7	179.8	-169.8	0	109.8	I273 M276 E277 Q313 G320	I273-K316 HydrophobicContact CG2-CD 4.23Å; I273-K316 PolarHBondContact O-NZ 3.3Å; M276-K316 HydrophobicContact CE-CD 4.11Å; M276-K316 HydrophobicContact CE-CG 3.89Å; E277-K316 WeakPolarHBondContact OE1-CE 3.33Å; E277-K316 IonicContact OE1-NZ 2.7Å; Q313-K316 WeakPolarHBondContact O-CA 3.45Å; Q313-K316 VanDerWaalsContact O-CB 3.31Å; Q313-K316 WeakPolarHBondContact O-CB 3.36Å; Q313-K316 PolarHBondContact O-N 2.86Å; K316-G320 PolarHBondContact O-N 3.24Å
317	L	96	Very high	94.3	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-61.7	-53.9	178.5	-69.4	174.5	0	0	0	111.9	I273 V292 L310 Q313 F314 S319 G320 L321	I273-L317 HydrophobicContact CB-CD2 4.41Å; I273-L317 HydrophobicContact CD1-CD1 4.09Å; I273-L317 HydrophobicContact CD1-CD2 3.88Å; I273-L317 HydrophobicContact CD1-CG 4.39Å; I273-L317 HydrophobicContact CG1-CD2 3.84Å; I273-L317 HydrophobicContact CG2-CD2 3.66Å; I273-L317 HydrophobicContact CG2-CG 4.36Å; V292-L317 HydrophobicContact CG1-CD1 4.17Å; V292-L317 HydrophobicContact CG2-CD1 4.05Å; V292-L317 HydrophobicContact CG2-CD2 3.89Å; V292-L317 HydrophobicContact CG2-CG 4.5Å; L310-L317 HydrophobicContact CD1-CD1 3.72Å; Q313-L317 PolarHBondContact O-N 2.78Å; F314-L317 PolarHBondContact O-N 3.13Å; L317-S319 VanDerWaalsContact C-N 3.31Å; L317-S319 PolarHBondContact O-N 2.93Å; L317-G320 PolarHBondContact O-N 3.19Å; L317-L321 WeakPolarHBondContact O-CB 3.36Å; L317-L321 WeakPolarHBondContact O-CG 3.2Å; L317-L321 PolarHBondContact O-N 3.01Å
318	C	95.8	Very high	94.5	Very high	1 Å²	1	37 Å²	37	1%	0.007	23%	0.225	C	C	.	.	H	α-helix	trans	-57.1	-45.2	179.1	-69.9	0	0	0	0	111.4	F314 A322 M371 F374	F314-C318 WeakPolarHBondContact CE1-SG 3.2Å; F314-C318 WeakPolarHBondContact O-CB 3.3Å; F314-C318 PolarHBondContact O-N 3.36Å; F314-C318 PolarHBondContact O-SG 2.92Å; C318-A322 WeakPolarHBondContact O-CB 3.4Å; C318-A322 PolarHBondContact O-N 2.95Å; C318-A322 VanDerWaalsContact O-N 3.1Å; C318-M371 HydrophobicContact CB-SD 3.93Å; C318-M371 VanDerWaalsContact SG-SD 3.69Å; C318-F374 HydrophobicContact CB-CB 4.28Å; C318-F374 HydrophobicContact CB-CD1 3.96Å; C318-F374 HydrophobicContact CB-CD2 3.63Å; C318-F374 HydrophobicContact CB-CE1 4.1Å; C318-F374 HydrophobicContact CB-CE2 3.78Å; C318-F374 HydrophobicContact CB-CG 3.71Å; C318-F374 HydrophobicContact CB-CZ 4Å; C318-F374 VanDerWaalsContact O-CD2 3.24Å; C318-F374 WeakPolarHBondContact O-CD2 3.24Å; C318-F374 WeakPolarHBondContact O-CE2 3.39Å
319	S	93.9	Very high	94.6	Very high	63 Å²	63	38.3 Å²	38.3	44%	0.441	23%	0.229	S	C	.	.	H	α-helix	trans	-67.6	-43.6	178.4	-53.1	0	0	0	0	112.9	G315 L317	G315-S319 VanDerWaalsContact O-CB 3.26Å; G315-S319 WeakPolarHBondContact O-CB 3.49Å; G315-S319 PolarHBondContact O-N 3.45Å; G315-S319 PolarHBondContact O-OG 3.43Å; L317-S319 VanDerWaalsContact C-N 3.31Å; L317-S319 PolarHBondContact O-N 2.93Å
320	G	93.4	Very high	94.7	Very high	22 Å²	22	40.1 Å²	40.1	23%	0.227	24%	0.235	C	C	.	.	H	α-helix	trans	-75	-22.1	-175.6	0	0	0	0	0	114.9	R284 K316 L317	R284-G320 PolarHBondContact NH1-O 3.29Å; K316-G320 PolarHBondContact O-N 3.24Å; L317-G320 PolarHBondContact O-N 3.19Å
321	L	94.9	Very high	94.7	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-105.3	-3	178.2	-58	177.8	0	0	0	113.4	M276 R284 L288 V289 V292 L317 G323 S324 L325	M276-L321 HydrophobicContact SD-CD2 4.09Å; M276-L321 HydrophobicContact SD-CG 4.2Å; R284-L321 HydrophobicContact CB-CD2 3.84Å; R284-L321 HydrophobicContact CG-CD2 3.98Å; L288-L321 HydrophobicContact CB-CD1 4.33Å; L288-L321 HydrophobicContact CB-CD2 3.82Å; L288-L321 HydrophobicContact CD1-CD2 3.92Å; V289-L321 HydrophobicContact CG2-CB 4.47Å; V289-L321 HydrophobicContact CG2-CD1 4.22Å; V289-L321 HydrophobicContact CG2-CD2 4.39Å; V292-L321 HydrophobicContact CB-CD1 4.44Å; V292-L321 HydrophobicContact CG2-CD1 4.13Å; L317-L321 WeakPolarHBondContact O-CB 3.36Å; L317-L321 WeakPolarHBondContact O-CG 3.2Å; L317-L321 PolarHBondContact O-N 3.01Å; L321-G323 PolarHBondContact O-N 3.41Å; L321-S324 PolarHBondContact O-N 3.01Å; L321-L325 HydrophobicContact CB-CD1 3.74Å; L321-L325 HydrophobicContact CB-CG 3.97Å; L321-L325 WeakPolarHBondContact O-CG 3.3Å; L321-L325 PolarHBondContact O-N 3.48Å
322	A	92.8	Very high	94.6	Very high	36 Å²	36	49.2 Å²	49.2	30%	0.298	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-31.1	-173.3	0	0	0	0	0	115.2	C318 K330 F374	C318-A322 WeakPolarHBondContact O-CB 3.4Å; C318-A322 PolarHBondContact O-N 2.95Å; C318-A322 VanDerWaalsContact O-N 3.1Å; A322-K330 WeakPolarHBondContact O-CE 3.32Å; A322-F374 HydrophobicContact CB-CD2 4.19Å; A322-F374 HydrophobicContact CB-CE2 4.23Å
323	G	91.4	Very high	94.6	Very high	84 Å²	84	44.2 Å²	44.2	87%	0.866	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-15.1	176.5	0	0	0	0	0	115.5	L321	L321-G323 PolarHBondContact O-N 3.41Å
324	S	93.9	Very high	94.6	Very high	24 Å²	24	43.6 Å²	43.6	17%	0.168	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-13.3	177.3	-56.4	0	0	0	0	112.9	G281 L285 L321	G281-S324 PolarHBondContact O-OG 3.33Å; L285-S324 WeakPolarHBondContact CD1-O 3.43Å; L321-S324 PolarHBondContact O-N 3.01Å
325	L	95	Very high	94.5	Very high	11 Å²	11	48.1 Å²	48.1	6%	0.058	27%	0.272	C	S	.	.			trans	-86.6	131.2	-177.9	-71	162.2	0	0	0	112.1	V289 M293 L321 Q329 K330 L333 F374	V289-L325 HydrophobicContact CG1-CD2 4.06Å; V289-L325 HydrophobicContact CG2-CD2 3.88Å; V289-L325 HydrophobicContact CG2-CG 4.3Å; M293-L325 HydrophobicContact SD-CD2 4.33Å; L321-L325 HydrophobicContact CB-CD1 3.74Å; L321-L325 HydrophobicContact CB-CG 3.97Å; L321-L325 WeakPolarHBondContact O-CG 3.3Å; L321-L325 PolarHBondContact O-N 3.48Å; L325-Q329 HydrophobicContact CD2-CB 3.72Å; L325-K330 HydrophobicContact CB-CG 3.89Å; L325-K330 VanDerWaalsContact O-CE 3.3Å; L325-K330 WeakPolarHBondContact O-CE 3.44Å; L325-L333 HydrophobicContact CD1-CD1 3.57Å; L325-L333 HydrophobicContact CD2-CD1 3.93Å; L325-L333 HydrophobicContact CG-CD1 4.43Å; L325-F374 HydrophobicContact CD1-CE2 3.96Å; L325-F374 HydrophobicContact CD1-CZ 4.01Å
326	S	94.9	Very high	94.5	Very high	57 Å²	57	49.5 Å²	49.5	40%	0.399	28%	0.277	S	S	.	.			trans	-71.7	158.4	166	67.4	0	0	0	0	111.9	E328 Q329 K330	S326-E328 PolarHBondContact O-N 3.39Å; S326-E328 VanDerWaalsContact O-N 3.14Å; S326-Q329 PolarHBondContact O-N 2.95Å; S326-Q329 VanDerWaalsContact OG-CD 3.27Å; S326-Q329 WeakPolarHBondContact OG-CG 3.26Å; S326-Q329 PolarHBondContact OG-OE1 3.39Å; S326-K330 WeakPolarHBondContact O-CG 3.36Å; S326-K330 PolarHBondContact O-N 3.36Å
327	E	93.6	Very high	94.6	Very high	111 Å²	111	46.2 Å²	46.2	52%	0.519	26%	0.263	S	S	.	.	H	α-helix	trans	-59.9	-26.4	-178.4	-60.3	-52.4	127	0	0	114.2	K330 R331	E327-K330 IonicContact OE1-NZ 3.05Å; E327-K330 PolarHBondContact OE1-NZ 3Å; E327-K330 IonicContact OE2-NZ 2.79Å; E327-R331 WeakPolarHBondContact O-CG 3.4Å; E327-R331 VanDerWaalsContact O-CZ 3.31Å; E327-R331 PolarHBondContact O-N 3.37Å; E327-R331 VanDerWaalsContact O-N 3.14Å; E327-R331 PolarHBondContact O-NH1 3.23Å
328	E	94.4	Very high	94.5	Very high	117 Å²	117	49 Å²	49	55%	0.547	28%	0.276	S	S	.	.	H	α-helix	trans	-74	-40.8	173.6	-172.3	61.6	-165.6	0	0	111.7	S326 K330 R331 L332	S326-E328 PolarHBondContact O-N 3.39Å; S326-E328 VanDerWaalsContact O-N 3.14Å; E328-K330 VanDerWaalsContact C-N 3.35Å; E328-R331 WeakPolarHBondContact O-CB 3.46Å; E328-R331 PolarHBondContact O-N 2.84Å; E328-R331 IonicContact OE2-CZ 3.7Å; E328-R331 IonicContact OE2-NE 3.62Å; E328-R331 PolarHBondContact OE2-NE 3.06Å; E328-R331 IonicContact OE2-NH2 3.53Å; E328-R331 PolarHBondContact OE2-NH2 3.3Å; E328-L332 PolarHBondContact O-N 3.38Å
329	Q	95	Very high	94.4	Very high	53 Å²	53	52.2 Å²	52.2	25%	0.248	30%	0.295	C	S	.	.	H	α-helix	trans	-66	-39	175	-67.4	160.7	-44.4	0	0	111	V289 M293 L325 S326 R331 L332 L333	V289-Q329 VanDerWaalsContact CG1-NE2 3.28Å; M293-Q329 HydrophobicContact CE-CB 4.04Å; M293-Q329 HydrophobicContact CE-CG 4.08Å; M293-Q329 HydrophobicContact CG-CG 4.32Å; M293-Q329 HydrophobicContact SD-CB 3.9Å; M293-Q329 HydrophobicContact SD-CG 4.05Å; L325-Q329 HydrophobicContact CD2-CB 3.72Å; S326-Q329 PolarHBondContact O-N 2.95Å; S326-Q329 VanDerWaalsContact OG-CD 3.27Å; S326-Q329 WeakPolarHBondContact OG-CG 3.26Å; S326-Q329 PolarHBondContact OG-OE1 3.39Å; Q329-R331 VanDerWaalsContact C-N 3.35Å; Q329-R331 PolarHBondContact O-N 2.69Å; Q329-L332 PolarHBondContact O-N 3.46Å; Q329-L333 WeakPolarHBondContact O-CG 3.45Å; Q329-L333 PolarHBondContact O-N 2.93Å
330	K	94.9	Very high	94.5	Very high	52 Å²	52	49.4 Å²	49.4	23%	0.226	28%	0.275	C	S	.	.	H	α-helix	trans	-58.8	-43.6	172	-65.5	179.2	-172.8	167.5	0	112	A322 L325 S326 E327 E328 L333 L334 F374	A322-K330 WeakPolarHBondContact O-CE 3.32Å; L325-K330 HydrophobicContact CB-CG 3.89Å; L325-K330 VanDerWaalsContact O-CE 3.3Å; L325-K330 WeakPolarHBondContact O-CE 3.44Å; S326-K330 WeakPolarHBondContact O-CG 3.36Å; S326-K330 PolarHBondContact O-N 3.36Å; E327-K330 IonicContact OE1-NZ 3.05Å; E327-K330 PolarHBondContact OE1-NZ 3Å; E327-K330 IonicContact OE2-NZ 2.79Å; E328-K330 VanDerWaalsContact C-N 3.35Å; K330-L333 PolarHBondContact O-N 2.96Å; K330-L334 WeakPolarHBondContact O-CB 3.4Å; K330-L334 PolarHBondContact O-N 3.27Å; K330-F374 HydrophobicContact CB-CE1 4.35Å; K330-F374 HydrophobicContact CB-CZ 4.03Å; K330-F374 HydrophobicContact CG-CE2 4.3Å; K330-F374 HydrophobicContact CG-CZ 3.81Å
331	R	93.6	Very high	94.6	Very high	119 Å²	119	48.5 Å²	48.5	45%	0.449	27%	0.266	S	S	.	.	H	α-helix	trans	-60.6	-45.4	174.1	-81.4	-174.3	-70.2	-82.9	6.3	112.5	E327 E328 Q329 L334 Q335	E327-R331 WeakPolarHBondContact O-CG 3.4Å; E327-R331 VanDerWaalsContact O-CZ 3.31Å; E327-R331 PolarHBondContact O-N 3.37Å; E327-R331 VanDerWaalsContact O-N 3.14Å; E327-R331 PolarHBondContact O-NH1 3.23Å; E328-R331 WeakPolarHBondContact O-CB 3.46Å; E328-R331 PolarHBondContact O-N 2.84Å; E328-R331 IonicContact OE2-CZ 3.7Å; E328-R331 IonicContact OE2-NE 3.62Å; E328-R331 PolarHBondContact OE2-NE 3.06Å; E328-R331 IonicContact OE2-NH2 3.53Å; E328-R331 PolarHBondContact OE2-NH2 3.3Å; Q329-R331 VanDerWaalsContact C-N 3.35Å; Q329-R331 PolarHBondContact O-N 2.69Å; R331-L334 WeakPolarHBondContact O-CB 3.24Å; R331-L334 PolarHBondContact O-N 2.83Å; R331-Q335 WeakPolarHBondContact O-CG 3.44Å; R331-Q335 PolarHBondContact O-N 3.1Å
332	L	94.6	Very high	94.5	Very high	73 Å²	73	51.7 Å²	51.7	38%	0.382	28%	0.282	S	S	.	.	H	α-helix	trans	-68.3	-35.7	-179.7	-170.3	63.6	0	0	0	112.2	M293 E328 Q329 Q335 K336	M293-L332 HydrophobicContact CE-CB 3.98Å; M293-L332 HydrophobicContact CE-CD2 3.66Å; M293-L332 HydrophobicContact CE-CG 4.15Å; E328-L332 PolarHBondContact O-N 3.38Å; Q329-L332 PolarHBondContact O-N 3.46Å; L332-Q335 PolarHBondContact O-N 3.1Å; L332-K336 WeakPolarHBondContact O-CB 3.44Å; L332-K336 PolarHBondContact O-N 2.84Å
333	L	95.8	Very high	94.5	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-65.1	-40.9	172.2	-67.4	178.6	0	0	0	112.1	V292 M293 C296 F314 L325 Q329 K330 K336 F337 F374	V292-L333 HydrophobicContact CG1-CD2 4.05Å; M293-L333 HydrophobicContact SD-CD2 4.11Å; M293-L333 HydrophobicContact SD-CG 4.2Å; C296-L333 HydrophobicContact CB-CD2 4.35Å; C296-L333 WeakPolarHBondContact SG-CD2 3.34Å; F314-L333 HydrophobicContact CE1-CB 4.4Å; F314-L333 WeakPolarHBondContact CE1-O 3.32Å; F314-L333 HydrophobicContact CZ-CB 4.3Å; F314-L333 HydrophobicContact CZ-CD2 4.19Å; F314-L333 VanDerWaalsContact CZ-O 3.27Å; F314-L333 WeakPolarHBondContact CZ-O 3.26Å; L325-L333 HydrophobicContact CD1-CD1 3.57Å; L325-L333 HydrophobicContact CD2-CD1 3.93Å; L325-L333 HydrophobicContact CG-CD1 4.43Å; Q329-L333 WeakPolarHBondContact O-CG 3.45Å; Q329-L333 PolarHBondContact O-N 2.93Å; K330-L333 PolarHBondContact O-N 2.96Å; L333-K336 PolarHBondContact O-N 3.35Å; L333-F337 WeakPolarHBondContact O-CB 3.44Å; L333-F337 PolarHBondContact O-N 3.33Å; L333-F374 HydrophobicContact CB-CE1 4.46Å; L333-F374 HydrophobicContact CD1-CZ 4.24Å
334	L	95.8	Very high	94.3	Very high	17 Å²	17	48.9 Å²	48.9	9%	0.089	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-46.6	172.2	170.1	61.4	0	0	0	111.5	K330 R331 F337 Q338 I375 D383 I384	K330-L334 WeakPolarHBondContact O-CB 3.4Å; K330-L334 PolarHBondContact O-N 3.27Å; R331-L334 WeakPolarHBondContact O-CB 3.24Å; R331-L334 PolarHBondContact O-N 2.83Å; L334-F337 WeakPolarHBondContact O-CB 3.49Å; L334-F337 PolarHBondContact O-N 3.25Å; L334-Q338 HydrophobicContact CD1-CG 4.32Å; L334-Q338 WeakPolarHBondContact O-CG 3.41Å; L334-Q338 PolarHBondContact O-N 2.97Å; L334-I375 HydrophobicContact CD1-CG2 4.16Å; L334-I375 HydrophobicContact CD2-CG2 4.32Å; L334-D383 HydrophobicContact CD1-CB 4.37Å; L334-D383 HydrophobicContact CD2-CB 3.87Å; L334-I384 HydrophobicContact CD1-CD1 3.63Å; L334-I384 HydrophobicContact CD1-CG1 4.19Å
335	Q	94.4	Very high	94	Very high	97 Å²	97	49.4 Å²	49.4	45%	0.453	26%	0.255	S	S	.	.	H	α-helix	trans	-61.6	-43.5	176.7	-71.9	169	4.1	0	0	111.9	R331 L332 F337 Q338 V339	R331-Q335 WeakPolarHBondContact O-CG 3.44Å; R331-Q335 PolarHBondContact O-N 3.1Å; L332-Q335 PolarHBondContact O-N 3.1Å; Q335-F337 VanDerWaalsContact C-N 3.34Å; Q335-F337 PolarHBondContact O-N 3.22Å; Q335-Q338 WeakPolarHBondContact O-CB 3.49Å; Q335-Q338 PolarHBondContact O-N 3.46Å; Q335-V339 WeakPolarHBondContact O-CG2 3.44Å; Q335-V339 PolarHBondContact O-N 3.32Å
336	K	95.1	Very high	92.7	Very high	29 Å²	29	55.3 Å²	55.3	13%	0.126	29%	0.294	C	S	.	.	H	α-helix	trans	-62.5	-40.8	175	-169.8	69.9	165.8	-149.6	0	111.3	C296 D297 F314 L332 L333 Q338 V339 L340	C296-K336 HydrophobicContact CB-CB 4.4Å; C296-K336 HydrophobicContact CB-CD 4.48Å; C296-K336 HydrophobicContact CB-CG 4.11Å; C296-K336 VanDerWaalsContact O-CD 3.27Å; C296-K336 WeakPolarHBondContact O-CD 3.37Å; C296-K336 VanDerWaalsContact O-CE 3.3Å; C296-K336 WeakPolarHBondContact O-CE 3.44Å; C296-K336 PolarHBondContact O-NZ 2.71Å; D297-K336 PolarHBondContact O-NZ 3.32Å; F314-K336 HydrophobicContact CE2-CB 4.47Å; F314-K336 HydrophobicContact CE2-CG 4.2Å; F314-K336 HydrophobicContact CZ-CB 4.21Å; F314-K336 HydrophobicContact CZ-CG 4.43Å; L332-K336 WeakPolarHBondContact O-CB 3.44Å; L332-K336 PolarHBondContact O-N 2.84Å; L333-K336 PolarHBondContact O-N 3.35Å; K336-Q338 PolarHBondContact O-N 3Å; K336-V339 PolarHBondContact O-N 3.06Å; K336-L340 HydrophobicContact CG-CD1 4.28Å; K336-L340 VanDerWaalsContact O-CG 3.26Å; K336-L340 WeakPolarHBondContact O-CG 3.45Å; K336-L340 PolarHBondContact O-N 3.24Å
337	F	96.6	Very high	91.2	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-61.8	-42	173.9	-175.5	-102.3	0	0	0	112.4	F314 L333 L334 Q335 V339 L340 C341 C364 N367 L368 M371 I384	F314-F337 HydrophobicContact CD1-CB 4.21Å; F314-F337 AromaticContact CD1-CD2 3.84Å; F314-F337 HydrophobicContact CD1-CD2 3.84Å; F314-F337 HydrophobicContact CD1-CG 4.42Å; F314-F337 HydrophobicContact CE1-CB 3.74Å; F314-F337 HydrophobicContact CE1-CD2 4.26Å; F314-F337 HydrophobicContact CE1-CG 4.42Å; F314-F337 HydrophobicContact CG-CD2 4.33Å; F314-F337 HydrophobicContact CZ-CB 4.22Å; L333-F337 WeakPolarHBondContact O-CB 3.44Å; L333-F337 PolarHBondContact O-N 3.33Å; L334-F337 WeakPolarHBondContact O-CB 3.49Å; L334-F337 PolarHBondContact O-N 3.25Å; Q335-F337 VanDerWaalsContact C-N 3.34Å; Q335-F337 PolarHBondContact O-N 3.22Å; F337-V339 VanDerWaalsContact C-N 3.34Å; F337-V339 PolarHBondContact O-N 3.35Å; F337-L340 PolarHBondContact O-N 3.02Å; F337-C341 VanDerWaalsContact CE1-SG 3.55Å; F337-C341 PolarHBondContact O-N 3.2Å; F337-C341 PolarHBondContact O-SG 3.33Å; F337-C364 HydrophobicContact CE2-CB 3.91Å; F337-C364 HydrophobicContact CZ-CB 4.08Å; F337-N367 HydrophobicContact CE2-CB 4.25Å; F337-L368 HydrophobicContact CE1-CD2 4.25Å; F337-L368 HydrophobicContact CZ-CD2 4.23Å; F337-L368 HydrophobicContact CZ-CG 4.44Å; F337-M371 HydrophobicContact CB-CE 3.98Å; F337-M371 HydrophobicContact CD1-CB 4.39Å; F337-M371 HydrophobicContact CD1-CE 4.37Å; F337-M371 HydrophobicContact CD1-CG 4.02Å; F337-M371 HydrophobicContact CD2-CE 4.44Å; F337-M371 HydrophobicContact CD2-CG 3.75Å; F337-M371 HydrophobicContact CD2-SD 4.3Å; F337-M371 HydrophobicContact CE1-CB 4.12Å; F337-M371 HydrophobicContact CE1-CG 3.9Å; F337-M371 HydrophobicContact CE2-CG 3.62Å; F337-M371 HydrophobicContact CG-CE 4.01Å; F337-M371 HydrophobicContact CG-CG 3.95Å; F337-M371 HydrophobicContact CG-SD 4.43Å; F337-M371 HydrophobicContact CZ-CB 4.25Å; F337-M371 HydrophobicContact CZ-CG 3.7Å; F337-I384 HydrophobicContact CD1-CD1 3.71Å; F337-I384 HydrophobicContact CE1-CD1 3.83Å
338	Q	95.7	Very high	89.2	Confident	60 Å²	60	56.8 Å²	56.8	28%	0.28	30%	0.302	S	S	.	.	H	α-helix	trans	-60.5	-41.6	175.5	-70.3	166.1	-12.1	0	0	111.8	L334 Q335 K336 C341 D383	L334-Q338 HydrophobicContact CD1-CG 4.32Å; L334-Q338 WeakPolarHBondContact O-CG 3.41Å; L334-Q338 PolarHBondContact O-N 2.97Å; Q335-Q338 WeakPolarHBondContact O-CB 3.49Å; Q335-Q338 PolarHBondContact O-N 3.46Å; K336-Q338 PolarHBondContact O-N 3Å; Q338-C341 WeakPolarHBondContact O-CB 3.47Å; Q338-C341 PolarHBondContact O-N 3.27Å; Q338-D383 PolarHBondContact NE2-O 2.91Å
339	V	93.3	Very high	87	Confident	69 Å²	69	60.8 Å²	60.8	42%	0.418	32%	0.321	S	S	.	.	H	α-helix	trans	-64.5	-45.9	173.7	172.5	0	0	0	0	111.4	Q335 K336 F337 C341 I342 T343	Q335-V339 WeakPolarHBondContact O-CG2 3.44Å; Q335-V339 PolarHBondContact O-N 3.32Å; K336-V339 PolarHBondContact O-N 3.06Å; F337-V339 VanDerWaalsContact C-N 3.34Å; F337-V339 PolarHBondContact O-N 3.35Å; V339-C341 PolarHBondContact O-N 3.08Å; V339-I342 VanDerWaalsContact O-CG1 3.24Å; V339-I342 WeakPolarHBondContact O-CG1 3.25Å; V339-I342 PolarHBondContact O-N 2.88Å; V339-T343 PolarHBondContact O-N 3.27Å; V339-T343 VanDerWaalsContact O-N 3.11Å; V339-T343 PolarHBondContact O-OG1 2.98Å; V339-T343 VanDerWaalsContact O-OG1 3.13Å
340	L	94.4	Very high	85	Confident	4 Å²	4	64 Å²	64	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-61.3	-26.7	176.8	-68	169.9	0	0	0	112.9	M307 F314 K336 F337 I342 T343 I360 C364	M307-L340 HydrophobicContact CE-CD2 3.61Å; F314-L340 HydrophobicContact CD2-CD1 3.77Å; F314-L340 HydrophobicContact CE2-CD1 3.8Å; K336-L340 HydrophobicContact CG-CD1 4.28Å; K336-L340 VanDerWaalsContact O-CG 3.26Å; K336-L340 WeakPolarHBondContact O-CG 3.45Å; K336-L340 PolarHBondContact O-N 3.24Å; F337-L340 PolarHBondContact O-N 3.02Å; L340-I342 PolarHBondContact O-N 3.32Å; L340-T343 WeakPolarHBondContact CA-OG1 3.49Å; L340-I360 HydrophobicContact CB-CG2 4.05Å; L340-I360 HydrophobicContact CD2-CG2 3.6Å; L340-I360 HydrophobicContact CG-CG2 4.42Å; L340-C364 VanDerWaalsContact C-SG 3.53Å; L340-C364 WeakPolarHBondContact CB-SG 3.18Å; L340-C364 PolarHBondContact O-SG 2.84Å
341	C	96.3	Very high	83.1	Confident	3 Å²	3	70.9 Å²	70.9	2%	0.02	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-11.7	173.7	-66.7	0	0	0	0	114.1	F337 Q338 V339 R361 L391	F337-C341 VanDerWaalsContact CE1-SG 3.55Å; F337-C341 PolarHBondContact O-N 3.2Å; F337-C341 PolarHBondContact O-SG 3.33Å; Q338-C341 WeakPolarHBondContact O-CB 3.47Å; Q338-C341 PolarHBondContact O-N 3.27Å; V339-C341 PolarHBondContact O-N 3.08Å; C341-R361 WeakPolarHBondContact O-CD 3.27Å; C341-L391 HydrophobicContact CB-CD1 4.27Å; C341-L391 HydrophobicContact CB-CD2 4.36Å; C341-L391 HydrophobicContact CB-CG 4.3Å
342	I	93.8	Very high	81.7	Confident	68 Å²	68	68.3 Å²	68.3	35%	0.349	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	1.5	-178.5	63.6	171	0	0	0	114.2	V339 L340 G344 L345	V339-I342 VanDerWaalsContact O-CG1 3.24Å; V339-I342 WeakPolarHBondContact O-CG1 3.25Å; V339-I342 PolarHBondContact O-N 2.88Å; L340-I342 PolarHBondContact O-N 3.32Å; I342-G344 PolarHBondContact O-N 3.42Å; I342-L345 HydrophobicContact CB-CD1 4.06Å; I342-L345 HydrophobicContact CG2-CD1 4.24Å; I342-L345 VanDerWaalsContact O-CB 3.31Å; I342-L345 WeakPolarHBondContact O-CB 3.46Å; I342-L345 WeakPolarHBondContact O-CG 3.33Å; I342-L345 PolarHBondContact O-N 2.91Å; I342-L345 VanDerWaalsContact O-N 3.12Å
343	T	91.1	Very high	80.7	Confident	14 Å²	14	69.2 Å²	69.2	9%	0.086	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	130.9	179.8	-55.6	0	0	0	0	112.5	V339 L340 L345 M352 R361	V339-T343 PolarHBondContact O-N 3.27Å; V339-T343 VanDerWaalsContact O-N 3.11Å; V339-T343 PolarHBondContact O-OG1 2.98Å; V339-T343 VanDerWaalsContact O-OG1 3.13Å; L340-T343 WeakPolarHBondContact CA-OG1 3.49Å; T343-L345 VanDerWaalsContact C-N 3.29Å; T343-L345 PolarHBondContact O-N 3.05Å; T343-M352 HydrophobicContact CG2-CE 4.14Å; T343-M352 HydrophobicContact CG2-SD 3.63Å; T343-R361 WeakPolarHBondContact O-CD 3.3Å; T343-R361 PolarHBondContact O-NH1 3Å
344	G	87.6	Confident	79.8	Confident	48 Å²	48	74 Å²	74	50%	0.495	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	11.4	-179	0	0	0	0	0	115.5	I342	I342-G344 PolarHBondContact O-N 3.42Å
345	L	87.7	Confident	79.3	Confident	35 Å²	35	75.2 Å²	75.2	18%	0.183	42%	0.417	C	S	.	.	S	Bend	trans	-79.6	152.8	165	-62.8	-177.9	0	0	0	110.2	I342 T343 T347 E348 P395	I342-L345 HydrophobicContact CB-CD1 4.06Å; I342-L345 HydrophobicContact CG2-CD1 4.24Å; I342-L345 VanDerWaalsContact O-CB 3.31Å; I342-L345 WeakPolarHBondContact O-CB 3.46Å; I342-L345 WeakPolarHBondContact O-CG 3.33Å; I342-L345 PolarHBondContact O-N 2.91Å; I342-L345 VanDerWaalsContact O-N 3.12Å; T343-L345 VanDerWaalsContact C-N 3.29Å; T343-L345 PolarHBondContact O-N 3.05Å; L345-T347 PolarHBondContact O-N 3.22Å; L345-E348 PolarHBondContact O-N 3.09Å; L345-P395 HydrophobicContact CD2-CG 3.64Å
346	P	68.3	Low	79	Confident	134 Å²	134	74.1 Å²	74.1	87%	0.87	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	28	-171.2	31	-38.2	0	0	0	115.2
347	T	63.1	Low	78.8	Confident	113 Å²	113	72.9 Å²	72.9	69%	0.693	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-10.3	168.2	39.7	0	0	0	0	113.2	L345	L345-T347 PolarHBondContact O-N 3.22Å
348	E	52.2	Low	78.8	Confident	87 Å²	87	73.6 Å²	73.6	41%	0.407	41%	0.412	S	S	.	.	S	Bend	trans	-125.5	146	179.3	-63.7	-173.8	-176.8	0	0	112.1	L345 N350	L345-E348 PolarHBondContact O-N 3.09Å; E348-N350 HydrophobicContact CB-CB 4.21Å; E348-N350 PolarHBondContact O-N 3.21Å; E348-N350 PolarHBondContact OE2-ND2 3.32Å
349	E	48.1	Very low	78.8	Confident	201 Å²	201	74.5 Å²	74.5	94%	0.939	42%	0.418	S	S	*	.			trans	-83.6	24.6	175	-57.9	-174	139.9	0	0	112.5
350	N	52.8	Low	78.9	Confident	119 Å²	119	71.3 Å²	71.3	64%	0.636	40%	0.398	S	S	*	.			trans	-85.1	141.5	-168.3	-97.5	-33.5	0	0	0	113.9	E348 M352	E348-N350 HydrophobicContact CB-CB 4.21Å; E348-N350 PolarHBondContact O-N 3.21Å; E348-N350 PolarHBondContact OE2-ND2 3.32Å; N350-M352 PolarHBondContact O-N 2.94Å
351	Q	55.7	Low	79	Confident	197 Å²	197	71.3 Å²	71.3	92%	0.921	40%	0.398	S	S	*	.			trans	-98.7	48	-174	-59.6	179.9	17.3	0	0	113.1
352	M	62.8	Low	79.1	Confident	66 Å²	66	72 Å²	72	33%	0.325	40%	0.403	S	S	.	.			trans	-83.2	158.7	167.7	-73.7	-174	66.5	0	0	111	E304 T343 N350 S357 I360	E304-M352 HydrophobicContact CG-CE 3.96Å; E304-M352 WeakPolarHBondContact OE1-CE 3.5Å; T343-M352 HydrophobicContact CG2-CE 4.14Å; T343-M352 HydrophobicContact CG2-SD 3.63Å; N350-M352 PolarHBondContact O-N 2.94Å; M352-S357 WeakPolarHBondContact CB-OG 3.47Å; M352-I360 HydrophobicContact CE-CD1 3.72Å
353	D	74.6	Confident	79.3	Confident	91 Å²	91	69.6 Å²	69.6	49%	0.487	39%	0.391	S	S	.	.			trans	-65.8	143.5	169.3	178.8	50.6	0	0	0	111.4	G355 E356 S357	D353-G355 VanDerWaalsContact C-N 3.31Å; D353-G355 PolarHBondContact O-N 3.46Å; D353-G355 WeakPolarHBondContact OD2-CA 3.26Å; D353-G355 PolarHBondContact OD2-N 3.1Å; D353-E356 HydrophobicContact CB-CB 4.39Å; D353-E356 HydrophobicContact CB-CG 4.32Å; D353-E356 PolarHBondContact OD2-N 3.31Å; D353-E356 VanDerWaalsContact OD2-N 3.17Å; D353-S357 VanDerWaalsContact O-CB 3.25Å; D353-S357 WeakPolarHBondContact O-CB 3.27Å; D353-S357 PolarHBondContact O-N 2.9Å; D353-S357 PolarHBondContact O-OG 3.26Å
354	V	76.5	Confident	79.7	Confident	101 Å²	101	69 Å²	69	61%	0.612	39%	0.387	S	S	*	.	H	α-helix	trans	-68.7	-33.4	179	-178	0	0	0	0	110.6	T358	V354-T358 WeakPolarHBondContact O-CB 3.39Å; V354-T358 PolarHBondContact O-N 3.02Å; V354-T358 VanDerWaalsContact O-N 3.1Å; V354-T358 PolarHBondContact O-OG1 3.15Å
355	G	85.3	Confident	80.2	Confident	43 Å²	43	66.7 Å²	66.7	44%	0.443	36%	0.363	S	S	.	.	H	α-helix	trans	-66.9	-52.2	174.3	0	0	0	0	0	112.3	D353 T358 L359	D353-G355 VanDerWaalsContact C-N 3.31Å; D353-G355 PolarHBondContact O-N 3.46Å; D353-G355 WeakPolarHBondContact OD2-CA 3.26Å; D353-G355 PolarHBondContact OD2-N 3.1Å; G355-T358 PolarHBondContact O-N 3.01Å; G355-L359 PolarHBondContact O-N 2.68Å
356	E	88.4	Confident	80.6	Confident	75 Å²	75	72.4 Å²	72.4	35%	0.35	38%	0.384	S	S	.	.	H	α-helix	trans	-65.6	-42.7	-180	-61.5	-151.8	-168.6	0	0	112.4	V308 D353 T358 L359 I360	V308-E356 HydrophobicContact CG2-CB 4.31Å; V308-E356 WeakPolarHBondContact CG2-OE2 3.23Å; D353-E356 HydrophobicContact CB-CB 4.39Å; D353-E356 HydrophobicContact CB-CG 4.32Å; D353-E356 PolarHBondContact OD2-N 3.31Å; D353-E356 VanDerWaalsContact OD2-N 3.17Å; E356-T358 VanDerWaalsContact C-N 3.27Å; E356-T358 PolarHBondContact O-N 2.82Å; E356-L359 WeakPolarHBondContact O-CB 3.34Å; E356-L359 PolarHBondContact O-N 2.8Å; E356-L359 VanDerWaalsContact O-N 3.14Å; E356-I360 WeakPolarHBondContact O-CG1 3.1Å; E356-I360 PolarHBondContact O-N 2.96Å
357	S	91.2	Very high	82	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.014	34%	0.344	C	S	.	.	H	α-helix	trans	-57.6	-40.6	172.3	-60.3	0	0	0	0	112.4	M352 D353 I360 R361	M352-S357 WeakPolarHBondContact CB-OG 3.47Å; D353-S357 VanDerWaalsContact O-CB 3.25Å; D353-S357 WeakPolarHBondContact O-CB 3.27Å; D353-S357 PolarHBondContact O-N 2.9Å; D353-S357 PolarHBondContact O-OG 3.26Å; S357-I360 PolarHBondContact O-N 2.67Å; S357-R361 WeakPolarHBondContact O-CG 3.42Å; S357-R361 PolarHBondContact O-N 2.95Å; S357-R361 VanDerWaalsContact O-N 3.14Å; S357-R361 PolarHBondContact O-NH1 2.91Å
358	T	95	Very high	83.6	Confident	15 Å²	15	61 Å²	61	9%	0.092	31%	0.311	C	S	.	.	H	α-helix	trans	-72	-33.9	178.1	-62.4	0	0	0	0	112	V354 G355 E356 R361 C362 E396 S398 V399	V354-T358 WeakPolarHBondContact O-CB 3.39Å; V354-T358 PolarHBondContact O-N 3.02Å; V354-T358 VanDerWaalsContact O-N 3.1Å; V354-T358 PolarHBondContact O-OG1 3.15Å; G355-T358 PolarHBondContact O-N 3.01Å; E356-T358 VanDerWaalsContact C-N 3.27Å; E356-T358 PolarHBondContact O-N 2.82Å; T358-R361 PolarHBondContact O-N 2.74Å; T358-C362 PolarHBondContact O-N 3.42Å; T358-C362 PolarHBondContact O-SG 3.48Å; T358-E396 HydrophobicContact CG2-CB 3.91Å; T358-E396 HydrophobicContact CG2-CG 3.95Å; T358-S398 VanDerWaalsContact CG2-OG 3.24Å; T358-S398 WeakPolarHBondContact CG2-OG 3.45Å; T358-V399 HydrophobicContact CG2-CG2 3.89Å
359	L	96	Very high	85.7	Confident	80 Å²	80	58 Å²	58	42%	0.419	30%	0.3	S	S	.	.	H	α-helix	trans	-64.3	-42.8	171.5	178	59	0	0	0	111.2	V308 G355 E356 R361 C362 N363	V308-L359 HydrophobicContact CG1-CD2 3.81Å; V308-L359 HydrophobicContact CG1-CG 4.41Å; G355-L359 PolarHBondContact O-N 2.68Å; E356-L359 WeakPolarHBondContact O-CB 3.34Å; E356-L359 PolarHBondContact O-N 2.8Å; E356-L359 VanDerWaalsContact O-N 3.14Å; L359-R361 PolarHBondContact O-N 3.28Å; L359-C362 CarbonylContact O-C 3.6Å; L359-C362 WeakPolarHBondContact O-CB 3.41Å; L359-C362 PolarHBondContact O-N 2.8Å; L359-C362 VanDerWaalsContact O-N 3.17Å; L359-N363 WeakPolarHBondContact O-CB 3.43Å; L359-N363 VanDerWaalsContact O-CG 3.22Å; L359-N363 PolarHBondContact O-N 3.03Å; L359-N363 PolarHBondContact O-ND2 3.18Å
360	I	96.1	Very high	87.9	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-57.3	-46.8	174.1	-73.4	166.3	0	0	0	111.1	V308 L340 M352 E356 S357 C362 N363 C364	V308-I360 HydrophobicContact CG2-CD1 4.11Å; V308-I360 HydrophobicContact CG2-CG1 4.08Å; L340-I360 HydrophobicContact CB-CG2 4.05Å; L340-I360 HydrophobicContact CD2-CG2 3.6Å; L340-I360 HydrophobicContact CG-CG2 4.42Å; M352-I360 HydrophobicContact CE-CD1 3.72Å; E356-I360 WeakPolarHBondContact O-CG1 3.1Å; E356-I360 PolarHBondContact O-N 2.96Å; S357-I360 PolarHBondContact O-N 2.67Å; I360-C362 PolarHBondContact O-N 2.68Å; I360-N363 WeakPolarHBondContact O-CB 3.34Å; I360-N363 PolarHBondContact O-N 2.92Å; I360-C364 PolarHBondContact O-N 3.06Å; I360-C364 PolarHBondContact O-SG 3.5Å
361	R	97.3	Very high	90.1	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.015	24%	0.235	C	C	.	.	H	α-helix	trans	-65.2	-37	176.3	-61.7	-164.2	-45.6	-73.4	-2.9	112.2	C341 T343 S357 T358 L359 C364 C365 L391 D394 V399	C341-R361 WeakPolarHBondContact O-CD 3.27Å; T343-R361 WeakPolarHBondContact O-CD 3.3Å; T343-R361 PolarHBondContact O-NH1 3Å; S357-R361 WeakPolarHBondContact O-CG 3.42Å; S357-R361 PolarHBondContact O-N 2.95Å; S357-R361 VanDerWaalsContact O-N 3.14Å; S357-R361 PolarHBondContact O-NH1 2.91Å; T358-R361 PolarHBondContact O-N 2.74Å; L359-R361 PolarHBondContact O-N 3.28Å; R361-C364 WeakPolarHBondContact O-CB 3.46Å; R361-C364 PolarHBondContact O-N 3.18Å; R361-C365 PolarHBondContact O-N 2.69Å; R361-C365 VanDerWaalsContact O-N 3.1Å; R361-C365 PolarHBondContact O-SG 3.37Å; R361-L391 HydrophobicContact CB-CD2 4.06Å; R361-D394 IonicContact CZ-OD1 3.35Å; R361-D394 IonicContact CZ-OD2 2.9Å; R361-D394 IonicContact NE-OD1 2.82Å; R361-D394 IonicContact NE-OD2 3.18Å; R361-D394 PolarHBondContact NE-OD2 2.79Å; R361-D394 IonicContact NH2-OD1 2.95Å; R361-D394 PolarHBondContact NH2-OD1 3.44Å; R361-D394 IonicContact NH2-OD2 3.67Å; R361-V399 HydrophobicContact CB-CG1 4Å; R361-V399 HydrophobicContact CB-CG2 3.81Å
362	C	98	Very high	92	Very high	18 Å²	18	34.7 Å²	34.7	12%	0.122	19%	0.191	C	C	.	.	H	α-helix	trans	-63.8	-39.5	171.9	-66.1	0	0	0	0	112.7	T358 L359 I360 C364 C365 Y366	T358-C362 PolarHBondContact O-N 3.42Å; T358-C362 PolarHBondContact O-SG 3.48Å; L359-C362 CarbonylContact O-C 3.6Å; L359-C362 WeakPolarHBondContact O-CB 3.41Å; L359-C362 PolarHBondContact O-N 2.8Å; L359-C362 VanDerWaalsContact O-N 3.17Å; I360-C362 PolarHBondContact O-N 2.68Å; C362-C364 VanDerWaalsContact C-N 3.32Å; C362-C365 VanDerWaalsContact O-CB 3.29Å; C362-C365 WeakPolarHBondContact O-CB 3.37Å; C362-C365 PolarHBondContact O-N 3.05Å; C362-C365 VanDerWaalsContact O-N 3.16Å; C362-Y366 PolarHBondContact O-N 3.11Å; C362-Y366 VanDerWaalsContact O-N 3.15Å
363	N	98	Very high	93.5	Very high	17 Å²	17	34.3 Å²	34.3	9%	0.091	20%	0.199	C	C	.	.	H	α-helix	trans	-66.1	-35.5	175.9	-71.6	-19.4	0	0	0	111.6	S311 L359 I360 C365 Y366 N367	S311-N363 WeakPolarHBondContact OG-CB 3.4Å; S311-N363 PolarHBondContact OG-ND2 3.13Å; L359-N363 WeakPolarHBondContact O-CB 3.43Å; L359-N363 VanDerWaalsContact O-CG 3.22Å; L359-N363 PolarHBondContact O-N 3.03Å; L359-N363 PolarHBondContact O-ND2 3.18Å; I360-N363 WeakPolarHBondContact O-CB 3.34Å; I360-N363 PolarHBondContact O-N 2.92Å; N363-C365 VanDerWaalsContact C-N 3.35Å; N363-Y366 PolarHBondContact O-N 3.36Å; N363-N367 PolarHBondContact O-N 2.75Å; N363-N367 PolarHBondContact O-ND2 3.05Å
364	C	98.2	Very high	94.5	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.007	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-42.7	170	-64.8	0	0	0	0	111.5	F337 L340 I360 R361 C362 Y366 N367 L368 L391	F337-C364 HydrophobicContact CE2-CB 3.91Å; F337-C364 HydrophobicContact CZ-CB 4.08Å; L340-C364 VanDerWaalsContact C-SG 3.53Å; L340-C364 WeakPolarHBondContact CB-SG 3.18Å; L340-C364 PolarHBondContact O-SG 2.84Å; I360-C364 PolarHBondContact O-N 3.06Å; I360-C364 PolarHBondContact O-SG 3.5Å; R361-C364 WeakPolarHBondContact O-CB 3.46Å; R361-C364 PolarHBondContact O-N 3.18Å; C362-C364 VanDerWaalsContact C-N 3.32Å; C364-Y366 VanDerWaalsContact C-N 3.27Å; C364-Y366 PolarHBondContact O-N 3.07Å; C364-N367 PolarHBondContact O-N 3.14Å; C364-N367 VanDerWaalsContact O-N 3.15Å; C364-L368 WeakPolarHBondContact O-CG 3.48Å; C364-L368 PolarHBondContact O-N 3.05Å; C364-L391 HydrophobicContact CB-CD1 4.25Å
365	C	98.1	Very high	95.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.6	-36.2	174.9	-58.6	0	0	0	0	113.5	R361 C362 N363 V399 V403 S406	R361-C365 PolarHBondContact O-N 2.69Å; R361-C365 VanDerWaalsContact O-N 3.1Å; R361-C365 PolarHBondContact O-SG 3.37Å; C362-C365 VanDerWaalsContact O-CB 3.29Å; C362-C365 WeakPolarHBondContact O-CB 3.37Å; C362-C365 PolarHBondContact O-N 3.05Å; C362-C365 VanDerWaalsContact O-N 3.16Å; N363-C365 VanDerWaalsContact C-N 3.35Å; C365-V399 PolarHBondContact SG-O 3.46Å; C365-V403 HydrophobicContact CB-CB 4.04Å; C365-S406 WeakPolarHBondContact O-CB 3.48Å; C365-S406 PolarHBondContact O-OG 2.72Å
366	Y	96.8	Very high	95.5	Very high	155 Å²	155	29.8 Å²	29.8	61%	0.608	16%	0.159	S	C	*	.	H	α-helix	trans	-69.8	-41.8	175.2	172.7	-105.6	0	0	0	111.9	F312 C362 N363 C364 P369	F312-Y366 HydrophobicContact CE2-CD1 4.5Å; F312-Y366 HydrophobicContact CE2-CE1 4.38Å; C362-Y366 PolarHBondContact O-N 3.11Å; C362-Y366 VanDerWaalsContact O-N 3.15Å; N363-Y366 PolarHBondContact O-N 3.36Å; C364-Y366 VanDerWaalsContact C-N 3.27Å; C364-Y366 PolarHBondContact O-N 3.07Å; Y366-P369 WeakPolarHBondContact O-CD 3.47Å
367	N	97.7	Very high	95.6	Very high	9 Å²	9	27.9 Å²	27.9	5%	0.048	15%	0.153	C	C	.	.	H	α-helix	trans	-80	-13.2	-177.5	-76.5	-77.5	0	0	0	114.9	S311 F312 G315 F337 N363 C364 P369 A370 M371	S311-N367 PolarHBondContact O-ND2 3.01Å; F312-N367 PolarHBondContact O-ND2 2.84Å; G315-N367 VanDerWaalsContact CA-OD1 3.25Å; G315-N367 WeakPolarHBondContact CA-OD1 3.47Å; G315-N367 PolarHBondContact N-OD1 3.45Å; F337-N367 HydrophobicContact CE2-CB 4.25Å; N363-N367 PolarHBondContact O-N 2.75Å; N363-N367 PolarHBondContact O-ND2 3.05Å; C364-N367 PolarHBondContact O-N 3.14Å; C364-N367 VanDerWaalsContact O-N 3.15Å; N367-P369 VanDerWaalsContact C-CD 3.48Å; N367-A370 PolarHBondContact O-N 3.18Å; N367-M371 PolarHBondContact O-N 2.95Å; N367-M371 VanDerWaalsContact O-N 3.07Å
368	L	96.5	Very high	95.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-41	-51.6	178.5	-88.7	169.8	0	0	0	114.6	F337 C364 A370 M371 V372 I384 F388 L391 V403 V410	F337-L368 HydrophobicContact CE1-CD2 4.25Å; F337-L368 HydrophobicContact CZ-CD2 4.23Å; F337-L368 HydrophobicContact CZ-CG 4.44Å; C364-L368 WeakPolarHBondContact O-CG 3.48Å; C364-L368 PolarHBondContact O-N 3.05Å; L368-A370 VanDerWaalsContact C-N 3.33Å; L368-A370 PolarHBondContact O-N 3.19Å; L368-M371 PolarHBondContact O-N 3.25Å; L368-M371 VanDerWaalsContact O-N 3.14Å; L368-V372 WeakPolarHBondContact O-CG2 3.49Å; L368-V372 PolarHBondContact O-N 3.31Å; L368-I384 HydrophobicContact CD2-CG2 3.98Å; L368-F388 HydrophobicContact CD1-CD2 3.66Å; L368-F388 HydrophobicContact CD1-CE2 4.09Å; L368-F388 HydrophobicContact CD2-CB 4.39Å; L368-F388 HydrophobicContact CD2-CD2 4.03Å; L368-F388 HydrophobicContact CG-CD2 4.47Å; L368-L391 HydrophobicContact CD1-CD1 4.17Å; L368-L391 HydrophobicContact CG-CD1 4.41Å; L368-V403 HydrophobicContact CD1-CB 4.46Å; L368-V403 HydrophobicContact CD1-CG2 3.74Å; L368-V410 HydrophobicContact CB-CG2 4.05Å
369	P	95.8	Very high	95.4	Very high	24 Å²	24	35 Å²	35	16%	0.156	20%	0.196	C	C	.	.	H	α-helix	trans	-64.5	-36.5	-176.6	-21	34.7	0	0	0	113	Y366 N367 V372 A373 Q409 V410 L413	Y366-P369 WeakPolarHBondContact O-CD 3.47Å; N367-P369 VanDerWaalsContact C-CD 3.48Å; P369-V372 PolarHBondContact O-N 3.45Å; P369-A373 PolarHBondContact O-N 2.92Å; P369-A373 VanDerWaalsContact O-N 3.11Å; P369-Q409 HydrophobicContact CB-CB 3.91Å; P369-Q409 HydrophobicContact CG-CB 3.66Å; P369-V410 HydrophobicContact CG-CG2 4.27Å; P369-L413 HydrophobicContact CB-CD1 3.82Å; P369-L413 WeakPolarHBondContact O-CD1 3.27Å
370	A	96.4	Very high	95.3	Very high	27 Å²	27	31.3 Å²	31.3	22%	0.223	18%	0.177	C	C	.	.	H	α-helix	trans	-67.9	-37.6	175	0	0	0	0	0	111.4	N367 L368 A373 F374	N367-A370 PolarHBondContact O-N 3.18Å; L368-A370 VanDerWaalsContact C-N 3.33Å; L368-A370 PolarHBondContact O-N 3.19Å; A370-A373 PolarHBondContact O-N 3.14Å; A370-F374 WeakPolarHBondContact O-CB 3.4Å; A370-F374 PolarHBondContact O-N 3.46Å
371	M	97.2	Very high	95.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.9	-39.1	175.1	-65	-51.3	-63.5	0	0	112.7	F314 C318 F337 N367 L368 A373 F374 I375 I384	F314-M371 HydrophobicContact CD1-CE 4.17Å; F314-M371 HydrophobicContact CD1-SD 3.7Å; F314-M371 HydrophobicContact CE1-CE 3.96Å; F314-M371 HydrophobicContact CE1-SD 4.1Å; C318-M371 HydrophobicContact CB-SD 3.93Å; C318-M371 VanDerWaalsContact SG-SD 3.69Å; F337-M371 HydrophobicContact CB-CE 3.98Å; F337-M371 HydrophobicContact CD1-CB 4.39Å; F337-M371 HydrophobicContact CD1-CE 4.37Å; F337-M371 HydrophobicContact CD1-CG 4.02Å; F337-M371 HydrophobicContact CD2-CE 4.44Å; F337-M371 HydrophobicContact CD2-CG 3.75Å; F337-M371 HydrophobicContact CD2-SD 4.3Å; F337-M371 HydrophobicContact CE1-CB 4.12Å; F337-M371 HydrophobicContact CE1-CG 3.9Å; F337-M371 HydrophobicContact CE2-CG 3.62Å; F337-M371 HydrophobicContact CG-CE 4.01Å; F337-M371 HydrophobicContact CG-CG 3.95Å; F337-M371 HydrophobicContact CG-SD 4.43Å; F337-M371 HydrophobicContact CZ-CB 4.25Å; F337-M371 HydrophobicContact CZ-CG 3.7Å; N367-M371 PolarHBondContact O-N 2.95Å; N367-M371 VanDerWaalsContact O-N 3.07Å; L368-M371 PolarHBondContact O-N 3.25Å; L368-M371 VanDerWaalsContact O-N 3.14Å; M371-A373 VanDerWaalsContact C-N 3.3Å; M371-A373 PolarHBondContact O-N 2.93Å; M371-F374 HydrophobicContact CE-CD1 3.86Å; M371-F374 HydrophobicContact CE-CE1 4.36Å; M371-F374 PolarHBondContact O-N 3.27Å; M371-I375 WeakPolarHBondContact O-CG1 3.49Å; M371-I375 PolarHBondContact O-N 2.98Å; M371-I384 HydrophobicContact CB-CD1 4.14Å
372	V	95.3	Very high	95	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.2	-36.5	173.7	176.5	0	0	0	0	111.7	L368 P369 D376 P377 F380 I384 V410 L413	L368-V372 WeakPolarHBondContact O-CG2 3.49Å; L368-V372 PolarHBondContact O-N 3.31Å; P369-V372 PolarHBondContact O-N 3.45Å; V372-D376 CarbonylContact O-C 3.57Å; V372-P377 HydrophobicContact CG1-CB 4.31Å; V372-P377 HydrophobicContact CG1-CG 4.2Å; V372-F380 HydrophobicContact CG1-CD2 4.24Å; V372-F380 HydrophobicContact CG2-CD2 3.65Å; V372-F380 HydrophobicContact CG2-CE2 3.81Å; V372-I384 HydrophobicContact CG2-CG2 4.05Å; V372-V410 HydrophobicContact CG2-CG1 4.45Å; V372-L413 HydrophobicContact CB-CD1 4.14Å; V372-L413 HydrophobicContact CG1-CB 3.98Å; V372-L413 HydrophobicContact CG1-CD1 4.24Å
373	A	94.9	Very high	94.8	Very high	58 Å²	58	41.6 Å²	41.6	48%	0.479	24%	0.237	S	C	.	.	H	α-helix	trans	-71	-34.1	173.2	0	0	0	0	0	112.9	P369 A370 M371	P369-A373 PolarHBondContact O-N 2.92Å; P369-A373 VanDerWaalsContact O-N 3.11Å; A370-A373 PolarHBondContact O-N 3.14Å; M371-A373 VanDerWaalsContact C-N 3.3Å; M371-A373 PolarHBondContact O-N 2.93Å
374	F	95.4	Very high	94.6	Very high	29 Å²	29	40.8 Å²	40.8	13%	0.127	23%	0.233	C	C	.	.	H	α-helix	trans	-69.5	-35.3	-178.5	176	-110.8	0	0	0	114	C318 A322 L325 K330 L333 A370 M371	C318-F374 HydrophobicContact CB-CB 4.28Å; C318-F374 HydrophobicContact CB-CD1 3.96Å; C318-F374 HydrophobicContact CB-CD2 3.63Å; C318-F374 HydrophobicContact CB-CE1 4.1Å; C318-F374 HydrophobicContact CB-CE2 3.78Å; C318-F374 HydrophobicContact CB-CG 3.71Å; C318-F374 HydrophobicContact CB-CZ 4Å; C318-F374 VanDerWaalsContact O-CD2 3.24Å; C318-F374 WeakPolarHBondContact O-CD2 3.24Å; C318-F374 WeakPolarHBondContact O-CE2 3.39Å; A322-F374 HydrophobicContact CB-CD2 4.19Å; A322-F374 HydrophobicContact CB-CE2 4.23Å; L325-F374 HydrophobicContact CD1-CE2 3.96Å; L325-F374 HydrophobicContact CD1-CZ 4.01Å; K330-F374 HydrophobicContact CB-CE1 4.35Å; K330-F374 HydrophobicContact CB-CZ 4.03Å; K330-F374 HydrophobicContact CG-CE2 4.3Å; K330-F374 HydrophobicContact CG-CZ 3.81Å; L333-F374 HydrophobicContact CB-CE1 4.46Å; L333-F374 HydrophobicContact CD1-CZ 4.24Å; A370-F374 WeakPolarHBondContact O-CB 3.4Å; A370-F374 PolarHBondContact O-N 3.46Å; M371-F374 HydrophobicContact CE-CD1 3.86Å; M371-F374 HydrophobicContact CE-CE1 4.36Å; M371-F374 PolarHBondContact O-N 3.27Å
375	I	91.9	Very high	94.6	Very high	22 Å²	22	42.8 Å²	42.8	11%	0.113	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-0.9	-179.2	64.9	152	0	0	0	114.9	L334 M371 H379 D383 I384	L334-I375 HydrophobicContact CD1-CG2 4.16Å; L334-I375 HydrophobicContact CD2-CG2 4.32Å; M371-I375 WeakPolarHBondContact O-CG1 3.49Å; M371-I375 PolarHBondContact O-N 2.98Å; I375-H379 HydrophobicContact CD1-CB 4.09Å; I375-H379 PolarHBondContact O-ND1 2.96Å; I375-D383 HydrophobicContact CD1-CB 3.77Å; I375-I384 HydrophobicContact CD1-CB 4.18Å; I375-I384 HydrophobicContact CD1-CG1 3.45Å; I375-I384 VanDerWaalsContact CD1-CG1 3.45Å; I375-I384 HydrophobicContact CG1-CG1 4.16Å
376	D	90.6	Very high	94.5	Very high	88 Å²	88	46.5 Å²	46.5	47%	0.471	27%	0.266	S	S	.	.			trans	66.7	128.8	-159.6	-165	-58	0	0	0	113.5	V372 A378 H379	V372-D376 CarbonylContact O-C 3.57Å; D376-A378 PolarHBondContact O-N 3.14Å; D376-A378 WeakPolarHBondContact OD1-CB 3.46Å; D376-A378 PolarHBondContact OD1-N 3.27Å; D376-H379 PolarHBondContact O-N 2.7Å
377	P	90.7	Very high	94.5	Very high	35 Å²	35	39.7 Å²	39.7	23%	0.227	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-19.5	175.4	-26.9	34.6	0	0	0	115.8	V372 H379 F380 L413	V372-P377 HydrophobicContact CG1-CB 4.31Å; V372-P377 HydrophobicContact CG1-CG 4.2Å; P377-H379 VanDerWaalsContact C-N 3.32Å; P377-F380 WeakPolarHBondContact O-CB 3.36Å; P377-F380 PolarHBondContact O-N 3.01Å; P377-L413 WeakPolarHBondContact CB-O 3.33Å; P377-L413 WeakPolarHBondContact CG-O 3.2Å
378	A	90.9	Very high	94.6	Very high	65 Å²	65	39.3 Å²	39.3	54%	0.537	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-36.1	173	0	0	0	0	0	112.9	D376	D376-A378 PolarHBondContact O-N 3.14Å; D376-A378 WeakPolarHBondContact OD1-CB 3.46Å; D376-A378 PolarHBondContact OD1-N 3.27Å
379	H	92	Very high	94.6	Very high	102 Å²	102	40.2 Å²	40.2	47%	0.472	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-6.2	-178	-55.8	112.1	0	0	0	113.5	I375 D376 P377 L381 C382 D383	I375-H379 HydrophobicContact CD1-CB 4.09Å; I375-H379 PolarHBondContact O-ND1 2.96Å; D376-H379 PolarHBondContact O-N 2.7Å; P377-H379 VanDerWaalsContact C-N 3.32Å; H379-L381 PolarHBondContact O-N 2.91Å; H379-C382 PolarHBondContact O-N 3.46Å; H379-D383 PolarHBondContact O-N 2.91Å; H379-D383 VanDerWaalsContact O-N 3.07Å
380	F	94.3	Very high	94.7	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	25%	0.253	C	S	.	.	H	α-helix	trans	-45.2	-45.4	-177.3	176.6	-100.6	0	0	0	113.9	V372 P377 C382 D383 I384 H385 F388 V410 L414 V420 V421	V372-F380 HydrophobicContact CG1-CD2 4.24Å; V372-F380 HydrophobicContact CG2-CD2 3.65Å; V372-F380 HydrophobicContact CG2-CE2 3.81Å; P377-F380 WeakPolarHBondContact O-CB 3.36Å; P377-F380 PolarHBondContact O-N 3.01Å; F380-C382 VanDerWaalsContact C-N 3.3Å; F380-C382 PolarHBondContact O-N 3.44Å; F380-D383 PolarHBondContact O-N 3.3Å; F380-I384 HydrophobicContact CD2-CB 3.97Å; F380-I384 HydrophobicContact CD2-CG2 3.87Å; F380-I384 HydrophobicContact CE2-CB 4.28Å; F380-I384 HydrophobicContact CE2-CG2 3.73Å; F380-I384 PolarHBondContact O-N 2.91Å; F380-I384 VanDerWaalsContact O-N 3.15Å; F380-H385 HydrophobicContact CD1-CB 4.04Å; F380-H385 HydrophobicContact CE1-CB 3.82Å; F380-H385 AromaticContact CE1-CD2 3.86Å; F380-H385 HydrophobicContact CZ-CB 4.26Å; F380-H385 WeakPolarHBondContact O-CB 3.2Å; F380-H385 PolarHBondContact O-N 3.39Å; F380-F388 HydrophobicContact CE2-CB 4.47Å; F380-F388 HydrophobicContact CE2-CG 4.44Å; F380-F388 HydrophobicContact CZ-CB 4.27Å; F380-F388 AromaticContact CZ-CD1 3.88Å; F380-F388 HydrophobicContact CZ-CD1 3.88Å; F380-F388 HydrophobicContact CZ-CE1 4.38Å; F380-F388 HydrophobicContact CZ-CG 4.02Å; F380-V410 HydrophobicContact CE2-CG1 3.9Å; F380-V410 HydrophobicContact CZ-CG1 4.03Å; F380-L414 HydrophobicContact CB-CD2 3.77Å; F380-L414 HydrophobicContact CD1-CD1 4.26Å; F380-L414 HydrophobicContact CD1-CD2 3.49Å; F380-L414 VanDerWaalsContact CD1-CD2 3.49Å; F380-L414 HydrophobicContact CD2-CD2 4.04Å; F380-L414 HydrophobicContact CE1-CD1 3.95Å; F380-L414 HydrophobicContact CE1-CD2 4.03Å; F380-L414 HydrophobicContact CG-CD2 3.49Å; F380-L414 VanDerWaalsContact CG-CD2 3.49Å; F380-L414 HydrophobicContact CZ-CD1 4.23Å; F380-V420 HydrophobicContact CD1-CG2 3.95Å; F380-V420 HydrophobicContact CE1-CG2 3.79Å; F380-V421 HydrophobicContact CE1-CG1 3.64Å; F380-V421 HydrophobicContact CZ-CG1 3.75Å
381	L	93	Very high	94.8	Very high	91 Å²	91	39.2 Å²	39.2	48%	0.476	24%	0.242	S	C	.	.	H	α-helix	trans	-60.5	-34.5	-177.1	-91.9	176.7	0	0	0	114.3	H379 V420	H379-L381 PolarHBondContact O-N 2.91Å; L381-V420 HydrophobicContact CD1-CG1 3.9Å; L381-V420 HydrophobicContact CD2-CB 3.78Å; L381-V420 HydrophobicContact CD2-CG1 3.69Å; L381-V420 HydrophobicContact CD2-CG2 4.24Å; L381-V420 HydrophobicContact CG-CB 4.39Å; L381-V420 HydrophobicContact CG-CG1 3.92Å
382	C	93.3	Very high	94.8	Very high	97 Å²	97	39.2 Å²	39.2	66%	0.655	24%	0.242	S	C	*	.	H	α-helix	trans	-86.7	-45.6	179.9	-62.2	0	0	0	0	110.7	H379 F380	H379-C382 PolarHBondContact O-N 3.46Å; F380-C382 VanDerWaalsContact C-N 3.3Å; F380-C382 PolarHBondContact O-N 3.44Å
383	D	93.4	Very high	94.9	Very high	52 Å²	52	42.6 Å²	42.6	28%	0.278	27%	0.266	S	S	.	.	H	α-helix	trans	-104.3	-30.4	-155.3	-69.2	-4.2	0	0	0	114	L334 Q338 I375 H379 F380	L334-D383 HydrophobicContact CD1-CB 4.37Å; L334-D383 HydrophobicContact CD2-CB 3.87Å; Q338-D383 PolarHBondContact NE2-O 2.91Å; I375-D383 HydrophobicContact CD1-CB 3.77Å; H379-D383 PolarHBondContact O-N 2.91Å; H379-D383 VanDerWaalsContact O-N 3.07Å; F380-D383 PolarHBondContact O-N 3.3Å
384	I	95.3	Very high	95.1	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-30.8	-176.9	-68.8	-72.1	0	0	0	112.1	L334 F337 L368 M371 V372 I375 F380 P386 S387 F388	L334-I384 HydrophobicContact CD1-CD1 3.63Å; L334-I384 HydrophobicContact CD1-CG1 4.19Å; F337-I384 HydrophobicContact CD1-CD1 3.71Å; F337-I384 HydrophobicContact CE1-CD1 3.83Å; L368-I384 HydrophobicContact CD2-CG2 3.98Å; M371-I384 HydrophobicContact CB-CD1 4.14Å; V372-I384 HydrophobicContact CG2-CG2 4.05Å; I375-I384 HydrophobicContact CD1-CB 4.18Å; I375-I384 HydrophobicContact CD1-CG1 3.45Å; I375-I384 VanDerWaalsContact CD1-CG1 3.45Å; I375-I384 HydrophobicContact CG1-CG1 4.16Å; F380-I384 HydrophobicContact CD2-CB 3.97Å; F380-I384 HydrophobicContact CD2-CG2 3.87Å; F380-I384 HydrophobicContact CE2-CB 4.28Å; F380-I384 HydrophobicContact CE2-CG2 3.73Å; F380-I384 PolarHBondContact O-N 2.91Å; F380-I384 VanDerWaalsContact O-N 3.15Å; I384-P386 VanDerWaalsContact C-CD 3.45Å; I384-S387 PolarHBondContact O-N 3.47Å; I384-S387 VanDerWaalsContact O-N 3.14Å; I384-F388 HydrophobicContact CG2-CB 4.48Å; I384-F388 WeakPolarHBondContact O-CB 3.41Å; I384-F388 PolarHBondContact O-N 3.22Å
385	H	96.7	Very high	95.1	Very high	42 Å²	42	42.6 Å²	42.6	19%	0.194	26%	0.264	C	S	.	.	H	α-helix	trans	-54.9	-39	-179.2	175.6	-95.9	0	0	0	114.2	F380 F388 S389 E424	F380-H385 HydrophobicContact CD1-CB 4.04Å; F380-H385 HydrophobicContact CE1-CB 3.82Å; F380-H385 AromaticContact CE1-CD2 3.86Å; F380-H385 HydrophobicContact CZ-CB 4.26Å; F380-H385 WeakPolarHBondContact O-CB 3.2Å; F380-H385 PolarHBondContact O-N 3.39Å; H385-F388 PolarHBondContact O-N 3.38Å; H385-S389 WeakPolarHBondContact O-CB 3.35Å; H385-S389 PolarHBondContact O-N 3.35Å; H385-E424 IonicContact NE2-OE2 2.66Å
386	P	96.7	Very high	95.3	Very high	78 Å²	78	45.4 Å²	45.4	51%	0.506	28%	0.276	S	S	.	.	H	α-helix	trans	-59.5	-48.9	174.2	-24.5	35.5	0	0	0	112.6	I384 G390	I384-P386 VanDerWaalsContact C-CD 3.45Å; P386-G390 PolarHBondContact O-N 3.46Å
387	S	97.4	Very high	95.7	Very high	13 Å²	13	43.7 Å²	43.7	9%	0.091	27%	0.269	C	S	.	.	H	α-helix	trans	-65.5	-40.8	176.5	-58.9	0	0	0	0	112.1	I384 G390 L391	I384-S387 PolarHBondContact O-N 3.47Å; I384-S387 VanDerWaalsContact O-N 3.14Å; S387-G390 WeakPolarHBondContact O-CA 3.43Å; S387-G390 PolarHBondContact O-N 2.97Å; S387-L391 WeakPolarHBondContact O-CG 3.45Å; S387-L391 PolarHBondContact O-N 3.38Å
388	F	98	Very high	96	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.2	-48.9	176.3	177.6	-103	0	0	0	112.4	L368 F380 I384 H385 G390 L391 C392 V403 F407 V410 V421 E424	L368-F388 HydrophobicContact CD1-CD2 3.66Å; L368-F388 HydrophobicContact CD1-CE2 4.09Å; L368-F388 HydrophobicContact CD2-CB 4.39Å; L368-F388 HydrophobicContact CD2-CD2 4.03Å; L368-F388 HydrophobicContact CG-CD2 4.47Å; F380-F388 HydrophobicContact CE2-CB 4.47Å; F380-F388 HydrophobicContact CE2-CG 4.44Å; F380-F388 HydrophobicContact CZ-CB 4.27Å; F380-F388 AromaticContact CZ-CD1 3.88Å; F380-F388 HydrophobicContact CZ-CD1 3.88Å; F380-F388 HydrophobicContact CZ-CE1 4.38Å; F380-F388 HydrophobicContact CZ-CG 4.02Å; I384-F388 HydrophobicContact CG2-CB 4.48Å; I384-F388 WeakPolarHBondContact O-CB 3.41Å; I384-F388 PolarHBondContact O-N 3.22Å; H385-F388 PolarHBondContact O-N 3.38Å; F388-G390 VanDerWaalsContact C-N 3.27Å; F388-G390 PolarHBondContact O-N 3.02Å; F388-L391 PolarHBondContact O-N 3.49Å; F388-C392 PolarHBondContact O-N 3.19Å; F388-C392 PolarHBondContact O-SG 2.68Å; F388-V403 HydrophobicContact CD2-CG2 4.19Å; F388-V403 HydrophobicContact CE2-CG2 3.79Å; F388-F407 HydrophobicContact CE1-CE2 4.02Å; F388-F407 HydrophobicContact CE2-CD2 4.33Å; F388-F407 AromaticContact CZ-CD2 3.63Å; F388-F407 HydrophobicContact CZ-CD2 3.63Å; F388-F407 AromaticContact CZ-CE2 3.51Å; F388-F407 HydrophobicContact CZ-CE2 3.51Å; F388-F407 HydrophobicContact CZ-CZ 4.46Å; F388-V410 HydrophobicContact CD2-CG1 4.34Å; F388-V410 HydrophobicContact CE2-CB 4.12Å; F388-V410 HydrophobicContact CE2-CG1 3.87Å; F388-V410 HydrophobicContact CE2-CG2 4Å; F388-V410 HydrophobicContact CZ-CB 4.46Å; F388-V410 HydrophobicContact CZ-CG1 4.06Å; F388-V421 HydrophobicContact CD1-CG1 4.04Å; F388-V421 HydrophobicContact CE1-CB 3.93Å; F388-V421 HydrophobicContact CE1-CG1 3.44Å; F388-V421 VanDerWaalsContact CE1-CG1 3.44Å; F388-V421 HydrophobicContact CZ-CG1 4.14Å; F388-E424 HydrophobicContact CD1-CG 4.07Å; F388-E424 HydrophobicContact CE1-CB 3.92Å; F388-E424 HydrophobicContact CE1-CG 3.86Å
389	S	97.9	Very high	96.4	Very high	19 Å²	19	41.2 Å²	41.2	13%	0.133	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-35.5	174.3	177.7	0	0	0	0	111.2	H385 C392 S393 K423 E424	H385-S389 WeakPolarHBondContact O-CB 3.35Å; H385-S389 PolarHBondContact O-N 3.35Å; S389-C392 PolarHBondContact O-N 2.95Å; S389-S393 PolarHBondContact O-N 2.81Å; S389-S393 PolarHBondContact O-OG 2.87Å; S389-K423 PolarHBondContact OG-NZ 2.84Å; S389-E424 PolarHBondContact OG-OE1 3.5Å
390	G	97.3	Very high	96.7	Very high	31 Å²	31	37.2 Å²	37.2	32%	0.32	23%	0.229	S	C	.	.	H	α-helix	trans	-57.2	-58.6	173.3	0	0	0	0	0	111.5	P386 S387 F388 C392 S393 D394	P386-G390 PolarHBondContact O-N 3.46Å; S387-G390 WeakPolarHBondContact O-CA 3.43Å; S387-G390 PolarHBondContact O-N 2.97Å; F388-G390 VanDerWaalsContact C-N 3.27Å; F388-G390 PolarHBondContact O-N 3.02Å; G390-C392 VanDerWaalsContact C-N 3.28Å; G390-C392 PolarHBondContact O-N 3.35Å; G390-S393 CarbonylContact O-C 3.59Å; G390-S393 VanDerWaalsContact O-C 3.3Å; G390-S393 WeakPolarHBondContact O-CA 3.5Å; G390-S393 PolarHBondContact O-N 2.73Å; G390-S393 PolarHBondContact O-OG 3.28Å; G390-D394 PolarHBondContact O-N 3.22Å
391	L	98.3	Very high	96.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-58.3	-34.9	177.9	-66.8	170.4	0	0	0	113	C341 R361 C364 L368 S387 F388 S393 D394 V399	C341-L391 HydrophobicContact CB-CD1 4.27Å; C341-L391 HydrophobicContact CB-CD2 4.36Å; C341-L391 HydrophobicContact CB-CG 4.3Å; R361-L391 HydrophobicContact CB-CD2 4.06Å; C364-L391 HydrophobicContact CB-CD1 4.25Å; L368-L391 HydrophobicContact CD1-CD1 4.17Å; L368-L391 HydrophobicContact CG-CD1 4.41Å; S387-L391 WeakPolarHBondContact O-CG 3.45Å; S387-L391 PolarHBondContact O-N 3.38Å; F388-L391 PolarHBondContact O-N 3.49Å; L391-S393 PolarHBondContact O-N 3.09Å; L391-D394 PolarHBondContact O-N 3.24Å; L391-V399 HydrophobicContact CB-CG1 4.43Å; L391-V399 HydrophobicContact CD2-CG1 3.6Å
392	C	98.3	Very high	97.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66	-24.7	173.1	-67.8	0	0	0	0	112.9	F388 S389 G390 R400 E424 L427 L428	F388-C392 PolarHBondContact O-N 3.19Å; F388-C392 PolarHBondContact O-SG 2.68Å; S389-C392 PolarHBondContact O-N 2.95Å; G390-C392 VanDerWaalsContact C-N 3.28Å; G390-C392 PolarHBondContact O-N 3.35Å; C392-R400 VanDerWaalsContact O-CD 3.31Å; C392-R400 WeakPolarHBondContact O-CD 3.43Å; C392-E424 HydrophobicContact CB-CB 4.27Å; C392-E424 HydrophobicContact CB-CG 4.15Å; C392-L427 WeakPolarHBondContact O-CD2 3.49Å; C392-L428 HydrophobicContact CB-CD2 4.47Å
393	S	97.3	Very high	97.4	Very high	70 Å²	70	35.7 Å²	35.7	49%	0.49	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	11.2	179.6	62.4	0	0	0	0	114.5	S389 G390 L391	S389-S393 PolarHBondContact O-N 2.81Å; S389-S393 PolarHBondContact O-OG 2.87Å; G390-S393 CarbonylContact O-C 3.59Å; G390-S393 VanDerWaalsContact O-C 3.3Å; G390-S393 WeakPolarHBondContact O-CA 3.5Å; G390-S393 PolarHBondContact O-N 2.73Å; G390-S393 PolarHBondContact O-OG 3.28Å; L391-S393 PolarHBondContact O-N 3.09Å
394	D	97.7	Very high	97.6	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	20%	0.196	C	C	.	.			trans	-54.1	141.8	-175.8	-162.5	-81.3	0	0	0	111.9	R361 G390 L391 E396 V399 R400	R361-D394 IonicContact CZ-OD1 3.35Å; R361-D394 IonicContact CZ-OD2 2.9Å; R361-D394 IonicContact NE-OD1 2.82Å; R361-D394 IonicContact NE-OD2 3.18Å; R361-D394 PolarHBondContact NE-OD2 2.79Å; R361-D394 IonicContact NH2-OD1 2.95Å; R361-D394 PolarHBondContact NH2-OD1 3.44Å; R361-D394 IonicContact NH2-OD2 3.67Å; G390-D394 PolarHBondContact O-N 3.22Å; L391-D394 PolarHBondContact O-N 3.24Å; D394-E396 PolarHBondContact O-N 3.17Å; D394-E396 WeakPolarHBondContact OD1-CB 3.12Å; D394-E396 PolarHBondContact OD1-N 2.8Å; D394-V399 HydrophobicContact CB-CB 3.8Å; D394-V399 HydrophobicContact CB-CG1 3.7Å; D394-R400 HydrophobicContact CB-CG 3.96Å; D394-R400 WeakPolarHBondContact O-CD 3.46Å; D394-R400 VanDerWaalsContact O-CG 3.29Å; D394-R400 WeakPolarHBondContact O-CG 3.28Å; D394-R400 PolarHBondContact O-NH1 2.81Å
395	P	95.6	Very high	97.7	Very high	84 Å²	84	35.2 Å²	35.2	55%	0.545	21%	0.212	S	C	.	.	S	Bend	trans	-54.4	-36.9	173.8	21.7	-33.9	0	0	0	112.5	L345 R400	L345-P395 HydrophobicContact CD2-CG 3.64Å; P395-R400 PolarHBondContact O-NH1 3.15Å
396	E	96.6	Very high	97.7	Very high	81 Å²	81	33.9 Å²	33.9	38%	0.379	21%	0.208	S	C	.	.			trans	-83.5	128.7	-173.2	-71.3	-54.4	139.7	0	0	113.9	T358 D394 S398 V399 R400	T358-E396 HydrophobicContact CG2-CB 3.91Å; T358-E396 HydrophobicContact CG2-CG 3.95Å; D394-E396 PolarHBondContact O-N 3.17Å; D394-E396 WeakPolarHBondContact OD1-CB 3.12Å; D394-E396 PolarHBondContact OD1-N 2.8Å; E396-S398 PolarHBondContact O-N 3.5Å; E396-V399 HydrophobicContact CB-CG2 4.04Å; E396-V399 PolarHBondContact O-N 2.96Å; E396-R400 PolarHBondContact O-N 3.42Å; E396-R400 VanDerWaalsContact O-N 3.17Å
397	V	98.3	Very high	97.7	Very high	51 Å²	51	30.2 Å²	30.2	31%	0.309	18%	0.184	S	C	.	.	H	α-helix	trans	-63	-33.1	-178.2	176.3	0	0	0	0	111.3	R401 A433 V436	V397-R401 WeakPolarHBondContact O-CB 3.46Å; V397-R401 PolarHBondContact O-N 2.87Å; V397-A433 HydrophobicContact CB-CB 4.38Å; V397-A433 HydrophobicContact CG1-CB 3.51Å; V397-A433 HydrophobicContact CG2-CB 3.93Å; V397-V436 HydrophobicContact CG1-CG2 4.23Å
398	S	98	Very high	97.7	Very high	48 Å²	48	30.2 Å²	30.2	34%	0.336	18%	0.182	S	C	.	.	H	α-helix	trans	-62.6	-42.3	175.7	46.8	0	0	0	0	112.6	T358 E396 S402	T358-S398 VanDerWaalsContact CG2-OG 3.24Å; T358-S398 WeakPolarHBondContact CG2-OG 3.45Å; E396-S398 PolarHBondContact O-N 3.5Å; S398-S402 WeakPolarHBondContact O-CB 3.25Å; S398-S402 PolarHBondContact O-N 2.78Å; S398-S402 PolarHBondContact O-OG 2.72Å
399	V	98.4	Very high	97.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-69.5	-51.5	179.4	-177.2	0	0	0	0	109.9	T358 R361 C365 L391 D394 E396 R401 S402 V403	T358-V399 HydrophobicContact CG2-CG2 3.89Å; R361-V399 HydrophobicContact CB-CG1 4Å; R361-V399 HydrophobicContact CB-CG2 3.81Å; C365-V399 PolarHBondContact SG-O 3.46Å; L391-V399 HydrophobicContact CB-CG1 4.43Å; L391-V399 HydrophobicContact CD2-CG1 3.6Å; D394-V399 HydrophobicContact CB-CB 3.8Å; D394-V399 HydrophobicContact CB-CG1 3.7Å; E396-V399 HydrophobicContact CB-CG2 4.04Å; E396-V399 PolarHBondContact O-N 2.96Å; V399-R401 VanDerWaalsContact C-N 3.27Å; V399-R401 PolarHBondContact O-N 3.18Å; V399-S402 WeakPolarHBondContact O-CA 3.42Å; V399-S402 WeakPolarHBondContact O-CB 3.46Å; V399-S402 PolarHBondContact O-N 3.16Å; V399-V403 PolarHBondContact O-N 2.94Å
400	R	98.6	Very high	97.5	Very high	19 Å²	19	32.8 Å²	32.8	7%	0.072	19%	0.192	C	C	.	.	H	α-helix	trans	-58.4	-39.2	177.3	-60.9	-159.9	-50.4	-75	-1.4	112.3	C392 D394 P395 E396 S402 V403 A404 D431 S432 V436	C392-R400 VanDerWaalsContact O-CD 3.31Å; C392-R400 WeakPolarHBondContact O-CD 3.43Å; D394-R400 HydrophobicContact CB-CG 3.96Å; D394-R400 WeakPolarHBondContact O-CD 3.46Å; D394-R400 VanDerWaalsContact O-CG 3.29Å; D394-R400 WeakPolarHBondContact O-CG 3.28Å; D394-R400 PolarHBondContact O-NH1 2.81Å; P395-R400 PolarHBondContact O-NH1 3.15Å; E396-R400 PolarHBondContact O-N 3.42Å; E396-R400 VanDerWaalsContact O-N 3.17Å; R400-S402 VanDerWaalsContact C-N 3.34Å; R400-S402 PolarHBondContact O-N 3.09Å; R400-V403 VanDerWaalsContact O-CG1 3.32Å; R400-V403 WeakPolarHBondContact O-CG1 3.43Å; R400-A404 VanDerWaalsContact O-CB 3.26Å; R400-A404 WeakPolarHBondContact O-CB 3.5Å; R400-A404 PolarHBondContact O-N 3.42Å; R400-D431 WeakPolarHBondContact CD-OD2 3.49Å; R400-D431 IonicContact CZ-OD1 2.78Å; R400-D431 IonicContact CZ-OD2 3.39Å; R400-D431 IonicContact NE-OD1 3.14Å; R400-D431 IonicContact NE-OD2 3.26Å; R400-D431 PolarHBondContact NE-OD2 3.31Å; R400-D431 IonicContact NH2-OD1 2.65Å; R400-D431 PolarHBondContact NH2-OD1 3.1Å; R400-D431 IonicContact NH2-OD2 3.73Å; R400-S432 PolarHBondContact NH2-OG 2.96Å; R400-V436 HydrophobicContact CB-CG1 4.23Å; R400-V436 HydrophobicContact CB-CG2 3.94Å
401	R	98.6	Very high	97.4	Very high	120 Å²	120	31.3 Å²	31.3	45%	0.453	18%	0.177	S	C	.	.	H	α-helix	trans	-64	-36.6	173.3	175.8	-176.4	157.6	-171.3	-18.7	112.4	V397 V399 A405 E435 V436 A439	V397-R401 WeakPolarHBondContact O-CB 3.46Å; V397-R401 PolarHBondContact O-N 2.87Å; V399-R401 VanDerWaalsContact C-N 3.27Å; V399-R401 PolarHBondContact O-N 3.18Å; R401-A405 PolarHBondContact O-N 3.48Å; R401-A405 VanDerWaalsContact O-N 3.13Å; R401-E435 IonicContact CZ-OE2 3.07Å; R401-E435 IonicContact NH1-OE2 3.97Å; R401-E435 PolarHBondContact NH1-OE2 2.99Å; R401-V436 HydrophobicContact CB-CG2 4.14Å; R401-A439 HydrophobicContact CG-CB 3.93Å; R401-A439 WeakPolarHBondContact O-CB 3.43Å
402	S	98.3	Very high	97.2	Very high	37 Å²	37	35.9 Å²	35.9	26%	0.259	20%	0.197	S	C	.	.	H	α-helix	trans	-70.4	-44.3	179.8	-60.9	0	0	0	0	111.7	S398 V399 R400 A405 S406	S398-S402 WeakPolarHBondContact O-CB 3.25Å; S398-S402 PolarHBondContact O-N 2.78Å; S398-S402 PolarHBondContact O-OG 2.72Å; V399-S402 WeakPolarHBondContact O-CA 3.42Å; V399-S402 WeakPolarHBondContact O-CB 3.46Å; V399-S402 PolarHBondContact O-N 3.16Å; R400-S402 VanDerWaalsContact C-N 3.34Å; R400-S402 PolarHBondContact O-N 3.09Å; S402-A405 WeakPolarHBondContact O-CB 3.48Å; S402-A405 PolarHBondContact O-N 2.67Å; S402-S406 PolarHBondContact O-N 3.05Å
403	V	98.4	Very high	97	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-69.4	-34.1	173.6	62.4	0	0	0	0	112	C365 L368 F388 V399 R400 A405 S406 F407	C365-V403 HydrophobicContact CB-CB 4.04Å; L368-V403 HydrophobicContact CD1-CB 4.46Å; L368-V403 HydrophobicContact CD1-CG2 3.74Å; F388-V403 HydrophobicContact CD2-CG2 4.19Å; F388-V403 HydrophobicContact CE2-CG2 3.79Å; V399-V403 PolarHBondContact O-N 2.94Å; R400-V403 VanDerWaalsContact O-CG1 3.32Å; R400-V403 WeakPolarHBondContact O-CG1 3.43Å; V403-A405 PolarHBondContact O-N 2.82Å; V403-S406 PolarHBondContact O-N 2.75Å; V403-S406 PolarHBondContact O-OG 2.98Å; V403-F407 WeakPolarHBondContact O-CA 3.39Å; V403-F407 WeakPolarHBondContact O-CB 3.44Å; V403-F407 PolarHBondContact O-N 3.14Å
404	A	98.4	Very high	96.7	Very high	2 Å²	2	35.3 Å²	35.3	2%	0.017	19%	0.188	C	C	.	.	H	α-helix	trans	-61.1	-30.1	172.2	0	0	0	0	0	113.4	R400 L428 V436 A439 L440	R400-A404 VanDerWaalsContact O-CB 3.26Å; R400-A404 WeakPolarHBondContact O-CB 3.5Å; R400-A404 PolarHBondContact O-N 3.42Å; A404-L428 HydrophobicContact CB-CD1 4.28Å; A404-L428 HydrophobicContact CB-CD2 4.33Å; A404-V436 HydrophobicContact CB-CG1 3.72Å; A404-V436 WeakPolarHBondContact CB-O 3.26Å; A404-A439 HydrophobicContact CB-CB 4.15Å; A404-L440 HydrophobicContact CB-CB 4.25Å
405	A	97.8	Very high	96.1	Very high	40 Å²	40	40.5 Å²	40.5	33%	0.331	21%	0.212	S	C	.	.	H	α-helix	trans	-72.1	-43.5	173.2	0	0	0	0	0	112.2	R401 S402 V403 H408 A439	R401-A405 PolarHBondContact O-N 3.48Å; R401-A405 VanDerWaalsContact O-N 3.13Å; S402-A405 WeakPolarHBondContact O-CB 3.48Å; S402-A405 PolarHBondContact O-N 2.67Å; V403-A405 PolarHBondContact O-N 2.82Å; A405-H408 PolarHBondContact O-CE1 3.45Å; A405-H408 PolarHBondContact O-ND1 3.17Å; A405-A439 HydrophobicContact CB-CB 4.33Å
406	S	95.7	Very high	95.4	Very high	15 Å²	15	39.5 Å²	39.5	11%	0.105	21%	0.207	C	C	.	.	H	α-helix	trans	-84.8	-12.8	-178.3	62.5	0	0	0	0	114.8	C365 S402 V403 H408 Q409 V410	C365-S406 WeakPolarHBondContact O-CB 3.48Å; C365-S406 PolarHBondContact O-OG 2.72Å; S402-S406 PolarHBondContact O-N 3.05Å; V403-S406 PolarHBondContact O-N 2.75Å; V403-S406 PolarHBondContact O-OG 2.98Å; S406-H408 VanDerWaalsContact C-N 3.26Å; S406-H408 PolarHBondContact O-N 3.42Å; S406-H408 VanDerWaalsContact O-N 3.08Å; S406-Q409 PolarHBondContact O-N 2.7Å; S406-V410 PolarHBondContact O-N 2.7Å
407	F	97.4	Very high	94.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-45.9	-44.7	-174.6	-165.9	-91.3	0	0	0	114.1	F388 V403 Q409 V410 V411 V421 E424 L425 L428 L440 T447	F388-F407 HydrophobicContact CE1-CE2 4.02Å; F388-F407 HydrophobicContact CE2-CD2 4.33Å; F388-F407 AromaticContact CZ-CD2 3.63Å; F388-F407 HydrophobicContact CZ-CD2 3.63Å; F388-F407 AromaticContact CZ-CE2 3.51Å; F388-F407 HydrophobicContact CZ-CE2 3.51Å; F388-F407 HydrophobicContact CZ-CZ 4.46Å; V403-F407 WeakPolarHBondContact O-CA 3.39Å; V403-F407 WeakPolarHBondContact O-CB 3.44Å; V403-F407 PolarHBondContact O-N 3.14Å; F407-Q409 VanDerWaalsContact C-N 3.28Å; F407-Q409 PolarHBondContact O-N 3.14Å; F407-V410 PolarHBondContact O-N 3.32Å; F407-V410 VanDerWaalsContact O-N 3.17Å; F407-V411 HydrophobicContact CD1-CG2 3.65Å; F407-V411 HydrophobicContact CE1-CG2 3.37Å; F407-V411 HydrophobicContact CZ-CG2 4.15Å; F407-V411 WeakPolarHBondContact O-CG2 3.5Å; F407-V411 PolarHBondContact O-N 3.42Å; F407-V421 HydrophobicContact CZ-CB 4.22Å; F407-V421 HydrophobicContact CZ-CG2 4.2Å; F407-E424 HydrophobicContact CE2-CB 3.9Å; F407-E424 HydrophobicContact CZ-CB 4.42Å; F407-L425 HydrophobicContact CE1-CB 3.95Å; F407-L425 HydrophobicContact CE1-CD1 3.95Å; F407-L425 HydrophobicContact CE1-CG 4.41Å; F407-L425 HydrophobicContact CZ-CB 3.71Å; F407-L425 HydrophobicContact CZ-CD1 4.44Å; F407-L428 HydrophobicContact CD2-CD1 3.45Å; F407-L428 VanDerWaalsContact CD2-CD1 3.45Å; F407-L428 HydrophobicContact CE2-CD1 3.84Å; F407-L428 HydrophobicContact CG-CD1 4.17Å; F407-L440 HydrophobicContact CB-CD1 4.31Å; F407-L440 HydrophobicContact CD1-CD1 4.32Å; F407-L440 HydrophobicContact CG-CD1 4.4Å; F407-T447 HydrophobicContact CD1-CG2 3.86Å; F407-T447 HydrophobicContact CE1-CG2 3.92Å
408	H	96.3	Very high	94.3	Very high	14 Å²	14	36.1 Å²	36.1	7%	0.065	19%	0.19	C	C	.	.	H	α-helix	trans	-59.7	-34.7	-179.1	69.4	-77.2	0	0	0	113.3	A405 S406 K412 H443 E446 T447	A405-H408 PolarHBondContact O-CE1 3.45Å; A405-H408 PolarHBondContact O-ND1 3.17Å; S406-H408 VanDerWaalsContact C-N 3.26Å; S406-H408 PolarHBondContact O-N 3.42Å; S406-H408 VanDerWaalsContact O-N 3.08Å; H408-K412 WeakPolarHBondContact O-CB 3.4Å; H408-K412 PolarHBondContact O-N 2.89Å; H408-H443 HydrophobicContact CB-CB 3.66Å; H408-H443 AromaticContact CD2-CG 3.75Å; H408-H443 AromaticContact CD2-ND1 3.67Å; H408-H443 AromaticContact CE1-CD2 3.36Å; H408-H443 PolarHBondContact CE1-CD2 3.37Å; H408-H443 AromaticContact CE1-CE1 3.65Å; H408-H443 AromaticContact CE1-CG 3.48Å; H408-H443 VanDerWaalsContact CE1-CG 3.48Å; H408-H443 AromaticContact CE1-ND1 3.65Å; H408-H443 AromaticContact CE1-NE2 3.52Å; H408-H443 AromaticContact CG-CG 3.64Å; H408-H443 AromaticContact ND1-CD2 3.5Å; H408-H443 AromaticContact ND1-CG 3.46Å; H408-H443 AromaticContact NE2-CD2 3.95Å; H408-H443 AromaticContact NE2-CE1 3.58Å; H408-H443 AromaticContact NE2-CG 3.68Å; H408-H443 AromaticContact NE2-ND1 3.42Å; H408-H443 PolarHBondContact NE2-ND1 3.45Å; H408-H443 AromaticContact NE2-NE2 3.93Å; H408-E446 IonicContact CD2-OE2 3.46Å; H408-E446 PolarHBondContact CD2-OE2 2.82Å; H408-T447 WeakPolarHBondContact CB-OG1 3.46Å
409	Q	96.3	Very high	93.7	Very high	72 Å²	72	36.3 Å²	36.3	34%	0.336	19%	0.186	S	C	.	.	H	α-helix	trans	-74.6	-36.3	177.2	-58.9	-64.1	-14.7	0	0	111.9	P369 S406 F407 K412 L413	P369-Q409 HydrophobicContact CB-CB 3.91Å; P369-Q409 HydrophobicContact CG-CB 3.66Å; S406-Q409 PolarHBondContact O-N 2.7Å; F407-Q409 VanDerWaalsContact C-N 3.28Å; F407-Q409 PolarHBondContact O-N 3.14Å; Q409-K412 WeakPolarHBondContact O-CB 3.49Å; Q409-K412 PolarHBondContact O-N 2.99Å; Q409-L413 WeakPolarHBondContact O-CG 3.38Å; Q409-L413 PolarHBondContact O-N 3.43Å; Q409-L413 VanDerWaalsContact O-N 3.12Å
410	V	96.2	Very high	93.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-48.4	173.2	178.4	0	0	0	0	109.9	L368 P369 V372 F380 F388 S406 F407 K412 L413 L414	L368-V410 HydrophobicContact CB-CG2 4.05Å; P369-V410 HydrophobicContact CG-CG2 4.27Å; V372-V410 HydrophobicContact CG2-CG1 4.45Å; F380-V410 HydrophobicContact CE2-CG1 3.9Å; F380-V410 HydrophobicContact CZ-CG1 4.03Å; F388-V410 HydrophobicContact CD2-CG1 4.34Å; F388-V410 HydrophobicContact CE2-CB 4.12Å; F388-V410 HydrophobicContact CE2-CG1 3.87Å; F388-V410 HydrophobicContact CE2-CG2 4Å; F388-V410 HydrophobicContact CZ-CB 4.46Å; F388-V410 HydrophobicContact CZ-CG1 4.06Å; S406-V410 PolarHBondContact O-N 2.7Å; F407-V410 PolarHBondContact O-N 3.32Å; F407-V410 VanDerWaalsContact O-N 3.17Å; V410-K412 PolarHBondContact O-N 3.14Å; V410-L413 PolarHBondContact O-N 3.08Å; V410-L414 HydrophobicContact CG1-CD1 4.22Å; V410-L414 WeakPolarHBondContact O-CG 3.48Å; V410-L414 PolarHBondContact O-N 2.94Å
411	V	94.4	Very high	93	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-54.2	-41.7	173.9	168.9	0	0	0	0	111.8	F407 L414 V418 V421 T447 L450 V451	F407-V411 HydrophobicContact CD1-CG2 3.65Å; F407-V411 HydrophobicContact CE1-CG2 3.37Å; F407-V411 HydrophobicContact CZ-CG2 4.15Å; F407-V411 WeakPolarHBondContact O-CG2 3.5Å; F407-V411 PolarHBondContact O-N 3.42Å; V411-L414 PolarHBondContact O-N 3.08Å; V411-V418 HydrophobicContact CG1-CG1 3.89Å; V411-V418 HydrophobicContact CG1-CG2 4.27Å; V411-V418 VanDerWaalsContact O-CG2 3.3Å; V411-V418 WeakPolarHBondContact O-CG2 3.45Å; V411-V421 HydrophobicContact CG2-CG2 3.87Å; V411-T447 HydrophobicContact CG2-CG2 4.42Å; V411-L450 HydrophobicContact CG1-CB 3.55Å; V411-L450 HydrophobicContact CG1-CD1 3.96Å; V411-L450 HydrophobicContact CG1-CG 4.4Å; V411-V451 HydrophobicContact CG1-CG2 4.33Å
412	K	94.8	Very high	92.7	Very high	96 Å²	96	31.2 Å²	31.2	42%	0.417	17%	0.17	S	C	.	.	H	α-helix	trans	-64.3	-40	-179.6	-166.5	173.6	-167.2	156	0	113.4	H408 Q409 V410 E446 L450	H408-K412 WeakPolarHBondContact O-CB 3.4Å; H408-K412 PolarHBondContact O-N 2.89Å; Q409-K412 WeakPolarHBondContact O-CB 3.49Å; Q409-K412 PolarHBondContact O-N 2.99Å; V410-K412 PolarHBondContact O-N 3.14Å; K412-E446 WeakPolarHBondContact CE-OE1 3.29Å; K412-E446 IonicContact NZ-OE1 2.86Å; K412-E446 PolarHBondContact NZ-OE1 3.42Å; K412-L450 HydrophobicContact CB-CD1 3.85Å; K412-L450 HydrophobicContact CG-CD1 4.18Å
413	L	94.5	Very high	92.6	Very high	57 Å²	57	35 Å²	35	30%	0.298	18%	0.181	S	C	.	.	H	α-helix	trans	-73.4	-24.3	179.1	-69.3	167.7	0	0	0	113.5	P369 V372 P377 Q409 V410 E415	P369-L413 HydrophobicContact CB-CD1 3.82Å; P369-L413 WeakPolarHBondContact O-CD1 3.27Å; V372-L413 HydrophobicContact CB-CD1 4.14Å; V372-L413 HydrophobicContact CG1-CB 3.98Å; V372-L413 HydrophobicContact CG1-CD1 4.24Å; P377-L413 WeakPolarHBondContact CB-O 3.33Å; P377-L413 WeakPolarHBondContact CG-O 3.2Å; Q409-L413 WeakPolarHBondContact O-CG 3.38Å; Q409-L413 PolarHBondContact O-N 3.43Å; Q409-L413 VanDerWaalsContact O-N 3.12Å; V410-L413 PolarHBondContact O-N 3.08Å; L413-E415 VanDerWaalsContact C-N 3.31Å; L413-E415 PolarHBondContact O-N 3.48Å
414	L	90.6	Very high	92.5	Very high	2 Å²	2	35 Å²	35	1%	0.01	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-14.1	-178.5	-69.4	171.8	0	0	0	114.5	F380 V410 V411 S416 N417 V418 V420 V421	F380-L414 HydrophobicContact CB-CD2 3.77Å; F380-L414 HydrophobicContact CD1-CD1 4.26Å; F380-L414 HydrophobicContact CD1-CD2 3.49Å; F380-L414 VanDerWaalsContact CD1-CD2 3.49Å; F380-L414 HydrophobicContact CD2-CD2 4.04Å; F380-L414 HydrophobicContact CE1-CD1 3.95Å; F380-L414 HydrophobicContact CE1-CD2 4.03Å; F380-L414 HydrophobicContact CG-CD2 3.49Å; F380-L414 VanDerWaalsContact CG-CD2 3.49Å; F380-L414 HydrophobicContact CZ-CD1 4.23Å; V410-L414 HydrophobicContact CG1-CD1 4.22Å; V410-L414 WeakPolarHBondContact O-CG 3.48Å; V410-L414 PolarHBondContact O-N 2.94Å; V411-L414 PolarHBondContact O-N 3.08Å; L414-S416 PolarHBondContact O-N 3.36Å; L414-N417 HydrophobicContact CB-CB 4.48Å; L414-N417 WeakPolarHBondContact O-CA 3.3Å; L414-N417 WeakPolarHBondContact O-CB 3.46Å; L414-N417 PolarHBondContact O-N 3.11Å; L414-V418 HydrophobicContact CB-CG2 4.12Å; L414-V420 HydrophobicContact CD1-CG2 4.18Å; L414-V421 HydrophobicContact CD1-CB 4.45Å; L414-V421 HydrophobicContact CD1-CG1 3.58Å; L414-V421 HydrophobicContact CD1-CG2 3.97Å
415	E	84	Confident	92.5	Very high	112 Å²	112	35 Å²	35	52%	0.523	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	-95.2	171.8	-75.2	-120.3	-154.9	0	0	115.4	L413 V418 R454	L413-E415 VanDerWaalsContact C-N 3.31Å; L413-E415 PolarHBondContact O-N 3.48Å; E415-V418 WeakPolarHBondContact O-CG2 3.4Å; E415-R454 VanDerWaalsContact C-NH1 3.33Å; E415-R454 WeakPolarHBondContact O-CD 3.24Å; E415-R454 PolarHBondContact O-NE 3.12Å; E415-R454 VanDerWaalsContact O-NE 3.1Å; E415-R454 PolarHBondContact O-NH1 3.29Å; E415-R454 IonicContact OE2-CZ 3.57Å; E415-R454 IonicContact OE2-NH1 2.7Å; E415-R454 PolarHBondContact OE2-NH1 2.76Å; E415-R454 IonicContact OE2-NH2 2.74Å; E415-R454 PolarHBondContact OE2-NH2 3.5Å
416	S	81.4	Confident	92.5	Very high	63 Å²	63	34 Å²	34	44%	0.441	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-27.2	176.4	50.2	0	0	0	0	113.2	L414 V418 H419	L414-S416 PolarHBondContact O-N 3.36Å; S416-V418 VanDerWaalsContact C-N 3.32Å; S416-V418 PolarHBondContact O-N 2.71Å; S416-H419 PolarHBondContact O-ND1 2.97Å
417	N	84.4	Confident	92.6	Very high	50 Å²	50	36 Å²	36	27%	0.267	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-89.5	7.4	-170.5	-61.8	-14.7	0	0	0	112.9	L414 H419 V420	L414-N417 HydrophobicContact CB-CB 4.48Å; L414-N417 WeakPolarHBondContact O-CA 3.3Å; L414-N417 WeakPolarHBondContact O-CB 3.46Å; L414-N417 PolarHBondContact O-N 3.11Å; N417-H419 PolarHBondContact O-N 2.79Å; N417-V420 WeakPolarHBondContact O-CG1 3.29Å; N417-V420 VanDerWaalsContact O-CG2 3.25Å; N417-V420 WeakPolarHBondContact O-CG2 3.43Å; N417-V420 PolarHBondContact O-N 2.68Å
418	V	87.2	Confident	92.6	Very high	11 Å²	11	36 Å²	36	7%	0.067	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-51	-26.2	179.9	174.1	0	0	0	0	114	V411 L414 E415 S416 V420 V421 V451	V411-V418 HydrophobicContact CG1-CG1 3.89Å; V411-V418 HydrophobicContact CG1-CG2 4.27Å; V411-V418 VanDerWaalsContact O-CG2 3.3Å; V411-V418 WeakPolarHBondContact O-CG2 3.45Å; L414-V418 HydrophobicContact CB-CG2 4.12Å; E415-V418 WeakPolarHBondContact O-CG2 3.4Å; S416-V418 VanDerWaalsContact C-N 3.32Å; S416-V418 PolarHBondContact O-N 2.71Å; V418-V420 PolarHBondContact O-N 2.75Å; V418-V420 VanDerWaalsContact O-N 3.16Å; V418-V421 WeakPolarHBondContact O-CG2 3.44Å; V418-V451 HydrophobicContact CG1-CB 4.21Å; V418-V451 HydrophobicContact CG1-CG2 3.61Å
419	H	86.4	Confident	92.7	Very high	53 Å²	53	35.3 Å²	35.3	25%	0.245	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-62.6	-16.2	176.7	68.1	-94.3	0	0	0	114.7	S416 N417 H422	S416-H419 PolarHBondContact O-ND1 2.97Å; N417-H419 PolarHBondContact O-N 2.79Å; H419-H422 WeakPolarHBondContact O-CB 3.36Å
420	V	89.6	Confident	92.7	Very high	23 Å²	23	36 Å²	36	14%	0.139	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-45.2	-179.2	-53.5	0	0	0	0	111.8	F380 L381 L414 N417 V418 H422	F380-V420 HydrophobicContact CD1-CG2 3.95Å; F380-V420 HydrophobicContact CE1-CG2 3.79Å; L381-V420 HydrophobicContact CD1-CG1 3.9Å; L381-V420 HydrophobicContact CD2-CB 3.78Å; L381-V420 HydrophobicContact CD2-CG1 3.69Å; L381-V420 HydrophobicContact CD2-CG2 4.24Å; L381-V420 HydrophobicContact CG-CB 4.39Å; L381-V420 HydrophobicContact CG-CG1 3.92Å; L414-V420 HydrophobicContact CD1-CG2 4.18Å; N417-V420 WeakPolarHBondContact O-CG1 3.29Å; N417-V420 VanDerWaalsContact O-CG2 3.25Å; N417-V420 WeakPolarHBondContact O-CG2 3.43Å; N417-V420 PolarHBondContact O-N 2.68Å; V418-V420 PolarHBondContact O-N 2.75Å; V418-V420 VanDerWaalsContact O-N 3.16Å; V420-H422 PolarHBondContact O-N 3.11Å
421	V	93.1	Very high	92.8	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.012	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	15.2	-178.8	-61.4	0	0	0	0	113.9	F380 F388 F407 V411 L414 V418 K423 E424 L425	F380-V421 HydrophobicContact CE1-CG1 3.64Å; F380-V421 HydrophobicContact CZ-CG1 3.75Å; F388-V421 HydrophobicContact CD1-CG1 4.04Å; F388-V421 HydrophobicContact CE1-CB 3.93Å; F388-V421 HydrophobicContact CE1-CG1 3.44Å; F388-V421 VanDerWaalsContact CE1-CG1 3.44Å; F388-V421 HydrophobicContact CZ-CG1 4.14Å; F407-V421 HydrophobicContact CZ-CB 4.22Å; F407-V421 HydrophobicContact CZ-CG2 4.2Å; V411-V421 HydrophobicContact CG2-CG2 3.87Å; L414-V421 HydrophobicContact CD1-CB 4.45Å; L414-V421 HydrophobicContact CD1-CG1 3.58Å; L414-V421 HydrophobicContact CD1-CG2 3.97Å; V418-V421 WeakPolarHBondContact O-CG2 3.44Å; V421-K423 VanDerWaalsContact C-N 3.35Å; V421-K423 PolarHBondContact O-N 3.02Å; V421-E424 WeakPolarHBondContact CA-OE2 3.38Å; V421-E424 PolarHBondContact O-N 3.07Å; V421-L425 PolarHBondContact O-N 3.35Å; V421-L425 VanDerWaalsContact O-N 3.07Å
422	H	92.6	Very high	92.9	Very high	7 Å²	7	41 Å²	41	3%	0.032	21%	0.213	C	C	.	.	H	α-helix	trans	-63.4	-40.9	-178.8	-172.5	99.1	0	0	0	111.5	H419 V420 E424 L425 L426	H419-H422 WeakPolarHBondContact O-CB 3.36Å; V420-H422 PolarHBondContact O-N 3.11Å; H422-E424 VanDerWaalsContact C-N 3.28Å; H422-E424 PolarHBondContact O-N 3.11Å; H422-L425 PolarHBondContact O-N 3.25Å; H422-L426 WeakPolarHBondContact O-CG 3.37Å; H422-L426 PolarHBondContact O-N 3.29Å
423	K	94.9	Very high	93	Very high	115 Å²	115	37.2 Å²	37.2	50%	0.5	20%	0.201	S	C	.	.	H	α-helix	trans	-61.3	-39.7	179.3	166.6	176.5	149.1	-80.9	0	111.1	S389 V421 L426 L427	S389-K423 PolarHBondContact OG-NZ 2.84Å; V421-K423 VanDerWaalsContact C-N 3.35Å; V421-K423 PolarHBondContact O-N 3.02Å; K423-L426 PolarHBondContact O-N 3.26Å; K423-L427 WeakPolarHBondContact O-CB 3.23Å; K423-L427 PolarHBondContact O-N 3.5Å
424	E	97.4	Very high	93.2	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-73	-37.2	-177.6	-66.7	58.3	-126.3	0	0	110.3	H385 F388 S389 C392 F407 V421 H422 L427 L428	H385-E424 IonicContact NE2-OE2 2.66Å; F388-E424 HydrophobicContact CD1-CG 4.07Å; F388-E424 HydrophobicContact CE1-CB 3.92Å; F388-E424 HydrophobicContact CE1-CG 3.86Å; S389-E424 PolarHBondContact OG-OE1 3.5Å; C392-E424 HydrophobicContact CB-CB 4.27Å; C392-E424 HydrophobicContact CB-CG 4.15Å; F407-E424 HydrophobicContact CE2-CB 3.9Å; F407-E424 HydrophobicContact CZ-CB 4.42Å; V421-E424 WeakPolarHBondContact CA-OE2 3.38Å; V421-E424 PolarHBondContact O-N 3.07Å; H422-E424 VanDerWaalsContact C-N 3.28Å; H422-E424 PolarHBondContact O-N 3.11Å; E424-L427 PolarHBondContact O-N 3.32Å; E424-L428 WeakPolarHBondContact O-CG 3.39Å; E424-L428 PolarHBondContact O-N 2.93Å
425	L	97.3	Very high	93.6	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-61.8	-44.1	170.2	-179.9	58.2	0	0	0	112	F407 V421 H422 L427 L429 L440 T447 V451 L467	F407-L425 HydrophobicContact CE1-CB 3.95Å; F407-L425 HydrophobicContact CE1-CD1 3.95Å; F407-L425 HydrophobicContact CE1-CG 4.41Å; F407-L425 HydrophobicContact CZ-CB 3.71Å; F407-L425 HydrophobicContact CZ-CD1 4.44Å; V421-L425 PolarHBondContact O-N 3.35Å; V421-L425 VanDerWaalsContact O-N 3.07Å; H422-L425 PolarHBondContact O-N 3.25Å; L425-L427 VanDerWaalsContact C-N 3.32Å; L425-L427 PolarHBondContact O-N 3.13Å; L425-L429 HydrophobicContact CD1-CD1 4.07Å; L425-L429 HydrophobicContact CD1-CG 4.17Å; L425-L429 HydrophobicContact CG-CD1 4.03Å; L425-L429 WeakPolarHBondContact O-CB 3.11Å; L425-L429 VanDerWaalsContact O-CG 3.29Å; L425-L429 WeakPolarHBondContact O-CG 3.37Å; L425-L429 PolarHBondContact O-N 3.15Å; L425-L440 HydrophobicContact CD1-CD1 4.46Å; L425-L440 HydrophobicContact CD1-CD2 4.23Å; L425-T447 HydrophobicContact CD1-CG2 4Å; L425-T447 HydrophobicContact CD2-CG2 4.33Å; L425-V451 HydrophobicContact CD2-CG2 4.02Å; L425-L467 HydrophobicContact CD2-CD1 3.99Å; L425-L467 HydrophobicContact CG-CD1 4.31Å
426	L	97.4	Very high	94.2	Very high	21 Å²	21	35.2 Å²	35.2	11%	0.11	19%	0.191	C	C	.	.	H	α-helix	trans	-61.3	-42.2	175.7	-63.2	178.8	0	0	0	111.4	H422 K423 Q430 E466 L467 A470	H422-L426 WeakPolarHBondContact O-CG 3.37Å; H422-L426 PolarHBondContact O-N 3.29Å; K423-L426 PolarHBondContact O-N 3.26Å; L426-Q430 WeakPolarHBondContact O-CB 3.46Å; L426-Q430 VanDerWaalsContact O-CG 3.25Å; L426-Q430 WeakPolarHBondContact O-CG 3.37Å; L426-Q430 PolarHBondContact O-N 3.49Å; L426-Q430 VanDerWaalsContact O-N 3.15Å; L426-E466 HydrophobicContact CD1-CB 3.85Å; L426-E466 WeakPolarHBondContact CD1-OE2 3.3Å; L426-E466 HydrophobicContact CD2-CB 4.24Å; L426-L467 HydrophobicContact CD2-CB 4.15Å; L426-L467 HydrophobicContact CD2-CD1 4.23Å; L426-A470 HydrophobicContact CD2-CB 3.66Å
427	L	97.8	Very high	95	Very high	55 Å²	55	32.3 Å²	32.3	29%	0.288	17%	0.17	S	C	.	.	H	α-helix	trans	-62	-52.3	178.5	-169.7	164.8	0	0	0	111	C392 K423 E424 L425 L429 Q430 D431	C392-L427 WeakPolarHBondContact O-CD2 3.49Å; K423-L427 WeakPolarHBondContact O-CB 3.23Å; K423-L427 PolarHBondContact O-N 3.5Å; E424-L427 PolarHBondContact O-N 3.32Å; L425-L427 VanDerWaalsContact C-N 3.32Å; L425-L427 PolarHBondContact O-N 3.13Å; L427-L429 VanDerWaalsContact C-N 3.33Å; L427-L429 PolarHBondContact O-N 3.3Å; L427-Q430 CarbonylContact O-C 3.48Å; L427-Q430 PolarHBondContact O-N 3.22Å; L427-D431 PolarHBondContact O-N 3.16Å
428	L	98.3	Very high	95.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.5	-29.7	-178.7	-65	175.4	0	0	0	113.1	C392 A404 F407 E424 Q430 V436 L440	C392-L428 HydrophobicContact CB-CD2 4.47Å; A404-L428 HydrophobicContact CB-CD1 4.28Å; A404-L428 HydrophobicContact CB-CD2 4.33Å; F407-L428 HydrophobicContact CD2-CD1 3.45Å; F407-L428 VanDerWaalsContact CD2-CD1 3.45Å; F407-L428 HydrophobicContact CE2-CD1 3.84Å; F407-L428 HydrophobicContact CG-CD1 4.17Å; E424-L428 WeakPolarHBondContact O-CG 3.39Å; E424-L428 PolarHBondContact O-N 2.93Å; L428-Q430 VanDerWaalsContact C-N 3.31Å; L428-V436 HydrophobicContact CD2-CG1 3.77Å; L428-L440 HydrophobicContact CB-CD2 4.09Å
429	L	98.1	Very high	96.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.4	-30.9	170.1	-78.6	170.4	0	0	0	112.7	L425 L427 L437 L440 L444 L467 A470 L471 A474	L425-L429 HydrophobicContact CD1-CD1 4.07Å; L425-L429 HydrophobicContact CD1-CG 4.17Å; L425-L429 HydrophobicContact CG-CD1 4.03Å; L425-L429 WeakPolarHBondContact O-CB 3.11Å; L425-L429 VanDerWaalsContact O-CG 3.29Å; L425-L429 WeakPolarHBondContact O-CG 3.37Å; L425-L429 PolarHBondContact O-N 3.15Å; L427-L429 VanDerWaalsContact C-N 3.33Å; L427-L429 PolarHBondContact O-N 3.3Å; L429-L437 HydrophobicContact CD2-CD1 4.28Å; L429-L440 HydrophobicContact CD2-CD2 3.79Å; L429-L440 HydrophobicContact CG-CD2 3.92Å; L429-L444 HydrophobicContact CD2-CD1 4.1Å; L429-L444 HydrophobicContact CD2-CD2 4.49Å; L429-L467 HydrophobicContact CD1-CD1 3.65Å; L429-A470 HydrophobicContact CB-CB 4.03Å; L429-A470 HydrophobicContact CD1-CB 3.96Å; L429-L471 HydrophobicContact CD1-CD2 4.17Å; L429-L471 HydrophobicContact CD1-CG 4.4Å; L429-L471 HydrophobicContact CD2-CD2 3.99Å; L429-A474 HydrophobicContact CD2-CB 4.46Å; L429-A474 WeakPolarHBondContact O-CB 3.46Å
430	Q	97.3	Very high	96.8	Very high	86 Å²	86	29.3 Å²	29.3	40%	0.402	16%	0.157	S	C	.	.	H	α-helix	trans	-98.3	-5	-176.4	-64.9	179.6	30.7	0	0	113.9	L426 L427 L428 A470 K477	L426-Q430 WeakPolarHBondContact O-CB 3.46Å; L426-Q430 VanDerWaalsContact O-CG 3.25Å; L426-Q430 WeakPolarHBondContact O-CG 3.37Å; L426-Q430 PolarHBondContact O-N 3.49Å; L426-Q430 VanDerWaalsContact O-N 3.15Å; L427-Q430 CarbonylContact O-C 3.48Å; L427-Q430 PolarHBondContact O-N 3.22Å; L428-Q430 VanDerWaalsContact C-N 3.31Å; Q430-A470 HydrophobicContact CG-CB 4.11Å; Q430-K477 PolarHBondContact O-NZ 2.81Å
431	D	98	Very high	97.1	Very high	9 Å²	9	28.2 Å²	28.2	5%	0.048	15%	0.15	C	C	.	.			trans	-42.9	140.4	-172.5	-162.1	-70.1	0	0	0	113.9	R400 L427 A433 V436 K477	R400-D431 WeakPolarHBondContact CD-OD2 3.49Å; R400-D431 IonicContact CZ-OD1 2.78Å; R400-D431 IonicContact CZ-OD2 3.39Å; R400-D431 IonicContact NE-OD1 3.14Å; R400-D431 IonicContact NE-OD2 3.26Å; R400-D431 PolarHBondContact NE-OD2 3.31Å; R400-D431 IonicContact NH2-OD1 2.65Å; R400-D431 PolarHBondContact NH2-OD1 3.1Å; R400-D431 IonicContact NH2-OD2 3.73Å; L427-D431 PolarHBondContact O-N 3.16Å; D431-A433 PolarHBondContact O-N 2.94Å; D431-A433 PolarHBondContact OD1-N 3.2Å; D431-V436 HydrophobicContact CB-CB 3.97Å; D431-V436 HydrophobicContact CB-CG1 3.95Å; D431-V436 HydrophobicContact CB-CG2 4.5Å; D431-K477 WeakPolarHBondContact O-CD 3.44Å; D431-K477 WeakPolarHBondContact O-CE 3.4Å; D431-K477 PolarHBondContact O-NZ 3Å
432	S	95.9	Very high	97.3	Very high	96 Å²	96	31.5 Å²	31.5	67%	0.671	17%	0.167	S	C	*	.	S	Bend	trans	-57.4	-33.9	178.8	60	0	0	0	0	113.4	R400 K477	R400-S432 PolarHBondContact NH2-OG 2.96Å; S432-K477 WeakPolarHBondContact O-CE 3.47Å
433	A	97.8	Very high	97.5	Very high	18 Å²	18	34.3 Å²	34.3	15%	0.149	18%	0.181	C	C	.	.	S	Bend	trans	-100.3	125.6	-173.4	0	0	0	0	0	113	V397 D431 E435 V436	V397-A433 HydrophobicContact CB-CB 4.38Å; V397-A433 HydrophobicContact CG1-CB 3.51Å; V397-A433 HydrophobicContact CG2-CB 3.93Å; D431-A433 PolarHBondContact O-N 2.94Å; D431-A433 PolarHBondContact OD1-N 3.2Å; A433-E435 PolarHBondContact O-N 3.46Å; A433-E435 VanDerWaalsContact O-N 3.13Å; A433-V436 HydrophobicContact CB-CG2 4.11Å; A433-V436 PolarHBondContact O-N 3.25Å; A433-V436 VanDerWaalsContact O-N 3.16Å
434	L	97.9	Very high	97.6	Very high	42 Å²	42	28.9 Å²	28.9	22%	0.22	16%	0.157	C	C	.	.	H	α-helix	trans	-62.4	-22.7	-178.2	-63.9	173.5	0	0	0	113.9	D438 K477 V478 R483 L486	L434-D438 WeakPolarHBondContact O-CB 3.4Å; L434-D438 PolarHBondContact O-N 3.13Å; L434-K477 HydrophobicContact CD2-CD 4.13Å; L434-K477 HydrophobicContact CD2-CG 4.16Å; L434-V478 HydrophobicContact CD2-CG2 4.1Å; L434-R483 HydrophobicContact CD1-CB 4.47Å; L434-R483 HydrophobicContact CD1-CG 3.94Å; L434-L486 HydrophobicContact CB-CD2 3.99Å; L434-L486 HydrophobicContact CD2-CD2 4.42Å
435	E	98	Very high	97.4	Very high	87 Å²	87	30.7 Å²	30.7	41%	0.407	17%	0.167	S	C	.	.	H	α-helix	trans	-73.8	-28.5	178.5	-53.3	-160.2	169.9	0	0	113.4	R401 A433 D438 A439	R401-E435 IonicContact CZ-OE2 3.07Å; R401-E435 IonicContact NH1-OE2 3.97Å; R401-E435 PolarHBondContact NH1-OE2 2.99Å; A433-E435 PolarHBondContact O-N 3.46Å; A433-E435 VanDerWaalsContact O-N 3.13Å; E435-D438 PolarHBondContact O-N 3.18Å; E435-A439 PolarHBondContact O-N 3.39Å
436	V	98.4	Very high	97.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.3	-46.3	174.2	-177.1	0	0	0	0	109.4	V397 R400 R401 A404 L428 D431 A433 A439 L440	V397-V436 HydrophobicContact CG1-CG2 4.23Å; R400-V436 HydrophobicContact CB-CG1 4.23Å; R400-V436 HydrophobicContact CB-CG2 3.94Å; R401-V436 HydrophobicContact CB-CG2 4.14Å; A404-V436 HydrophobicContact CB-CG1 3.72Å; A404-V436 WeakPolarHBondContact CB-O 3.26Å; L428-V436 HydrophobicContact CD2-CG1 3.77Å; D431-V436 HydrophobicContact CB-CB 3.97Å; D431-V436 HydrophobicContact CB-CG1 3.95Å; D431-V436 HydrophobicContact CB-CG2 4.5Å; A433-V436 HydrophobicContact CB-CG2 4.11Å; A433-V436 PolarHBondContact O-N 3.25Å; A433-V436 VanDerWaalsContact O-N 3.16Å; V436-A439 PolarHBondContact O-N 2.79Å; V436-L440 PolarHBondContact O-N 3.14Å
437	L	97.8	Very high	97.1	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-66.9	-35.9	175.5	-177.1	56.6	0	0	0	112.5	L429 L440 L441 A474 V478	L429-L437 HydrophobicContact CD2-CD1 4.28Å; L437-L440 PolarHBondContact O-N 3.36Å; L437-L441 HydrophobicContact CD1-CD1 4.18Å; L437-L441 HydrophobicContact CD1-CG 4.24Å; L437-L441 HydrophobicContact CG-CD1 3.96Å; L437-L441 VanDerWaalsContact O-CB 3.25Å; L437-L441 WeakPolarHBondContact O-CB 3.18Å; L437-L441 WeakPolarHBondContact O-CD1 3.38Å; L437-L441 WeakPolarHBondContact O-CG 3.33Å; L437-L441 PolarHBondContact O-N 3.49Å; L437-A474 HydrophobicContact CD1-CB 4.16Å; L437-A474 HydrophobicContact CD2-CB 3.92Å; L437-V478 HydrophobicContact CD2-CG2 3.45Å; L437-V478 VanDerWaalsContact CD2-CG2 3.45Å; L437-V478 HydrophobicContact CG-CG2 4.4Å
438	D	98.3	Very high	96.9	Very high	40 Å²	40	29.8 Å²	29.8	21%	0.214	16%	0.161	C	C	.	.	H	α-helix	trans	-61.5	-43	172.6	-155.6	-13.9	0	0	0	111.1	L434 E435 L441 R483 L486 K489	L434-D438 WeakPolarHBondContact O-CB 3.4Å; L434-D438 PolarHBondContact O-N 3.13Å; E435-D438 PolarHBondContact O-N 3.18Å; D438-L441 PolarHBondContact O-N 3.27Å; D438-R483 IonicContact OD2-NH2 2.74Å; D438-R483 PolarHBondContact OD2-NH2 3.27Å; D438-R483 VanDerWaalsContact OD2-NH2 3.15Å; D438-L486 HydrophobicContact CB-CD1 3.71Å; D438-L486 HydrophobicContact CB-CD2 4.3Å; D438-K489 PolarHBondContact O-NZ 3.43Å; D438-K489 IonicContact OD1-NZ 2.7Å; D438-K489 PolarHBondContact OD1-NZ 3.43Å
439	A	98.4	Very high	96.5	Very high	8 Å²	8	33.2 Å²	33.2	7%	0.066	18%	0.177	C	C	.	.	H	α-helix	trans	-62.9	-49.1	174.7	0	0	0	0	0	112.5	R401 A404 A405 E435 V436 L441 N442	R401-A439 HydrophobicContact CG-CB 3.93Å; R401-A439 WeakPolarHBondContact O-CB 3.43Å; A404-A439 HydrophobicContact CB-CB 4.15Å; A405-A439 HydrophobicContact CB-CB 4.33Å; E435-A439 PolarHBondContact O-N 3.39Å; V436-A439 PolarHBondContact O-N 2.79Å; A439-L441 VanDerWaalsContact C-N 3.29Å; A439-L441 PolarHBondContact O-N 2.85Å; A439-N442 VanDerWaalsContact O-CB 3.3Å; A439-N442 WeakPolarHBondContact O-CB 3.49Å; A439-N442 PolarHBondContact O-N 3.13Å; A439-N442 VanDerWaalsContact O-N 3.11Å; A439-N442 PolarHBondContact O-ND2 3.34Å
440	L	98.1	Very high	96.1	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-59.2	-39.8	176.9	-172.8	65.9	0	0	0	111.9	A404 F407 L425 L428 L429 V436 L437 N442 H443 L444	A404-L440 HydrophobicContact CB-CB 4.25Å; F407-L440 HydrophobicContact CB-CD1 4.31Å; F407-L440 HydrophobicContact CD1-CD1 4.32Å; F407-L440 HydrophobicContact CG-CD1 4.4Å; L425-L440 HydrophobicContact CD1-CD1 4.46Å; L425-L440 HydrophobicContact CD1-CD2 4.23Å; L428-L440 HydrophobicContact CB-CD2 4.09Å; L429-L440 HydrophobicContact CD2-CD2 3.79Å; L429-L440 HydrophobicContact CG-CD2 3.92Å; V436-L440 PolarHBondContact O-N 3.14Å; L437-L440 PolarHBondContact O-N 3.36Å; L440-N442 PolarHBondContact O-N 2.82Å; L440-N442 VanDerWaalsContact O-N 3.11Å; L440-H443 PolarHBondContact O-N 2.77Å; L440-H443 VanDerWaalsContact O-N 3.07Å; L440-L444 HydrophobicContact CG-CD1 4.48Å; L440-L444 PolarHBondContact O-N 2.9Å; L440-L444 VanDerWaalsContact O-N 3.08Å
441	L	97.1	Very high	95.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-8.2	178.3	-80.3	166.9	0	0	0	114.8	L437 D438 A439 H443 L444 L486 K489 L490 R493	L437-L441 HydrophobicContact CD1-CD1 4.18Å; L437-L441 HydrophobicContact CD1-CG 4.24Å; L437-L441 HydrophobicContact CG-CD1 3.96Å; L437-L441 VanDerWaalsContact O-CB 3.25Å; L437-L441 WeakPolarHBondContact O-CB 3.18Å; L437-L441 WeakPolarHBondContact O-CD1 3.38Å; L437-L441 WeakPolarHBondContact O-CG 3.33Å; L437-L441 PolarHBondContact O-N 3.49Å; D438-L441 PolarHBondContact O-N 3.27Å; A439-L441 VanDerWaalsContact C-N 3.29Å; A439-L441 PolarHBondContact O-N 2.85Å; L441-H443 VanDerWaalsContact C-N 3.32Å; L441-L444 HydrophobicContact CD2-CB 4.25Å; L441-L444 HydrophobicContact CD2-CD2 3.54Å; L441-L486 HydrophobicContact CD1-CD1 3.58Å; L441-L486 HydrophobicContact CD1-CG 4.46Å; L441-K489 HydrophobicContact CB-CD 4Å; L441-K489 HydrophobicContact CB-CG 4.46Å; L441-L490 HydrophobicContact CD1-CB 3.9Å; L441-L490 HydrophobicContact CD1-CD1 4.23Å; L441-L490 HydrophobicContact CD1-CG 4.32Å; L441-L490 HydrophobicContact CD2-CB 4.24Å; L441-L490 HydrophobicContact CD2-CG 4.33Å; L441-R493 HydrophobicContact CD2-CB 4.15Å; L441-R493 HydrophobicContact CD2-CG 4.16Å; L441-R493 PolarHBondContact O-NE 3Å
442	N	97.2	Very high	95.1	Very high	71 Å²	71	32.7 Å²	32.7	38%	0.38	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-36.4	168.5	-67.7	-31.6	0	0	0	111.6	A439 L440 K489 R493	A439-N442 VanDerWaalsContact O-CB 3.3Å; A439-N442 WeakPolarHBondContact O-CB 3.49Å; A439-N442 PolarHBondContact O-N 3.13Å; A439-N442 VanDerWaalsContact O-N 3.11Å; A439-N442 PolarHBondContact O-ND2 3.34Å; L440-N442 PolarHBondContact O-N 2.82Å; L440-N442 VanDerWaalsContact O-N 3.11Å; N442-K489 WeakPolarHBondContact OD1-CE 3.29Å; N442-K489 PolarHBondContact OD1-NZ 3.36Å; N442-R493 PolarHBondContact O-NH2 3.14Å
443	H	96.7	Very high	94.1	Very high	66 Å²	66	29.9 Å²	29.9	31%	0.306	16%	0.157	S	C	.	.	S	Bend	trans	-130.9	20.8	-171.5	-55	-86.6	0	0	0	113.4	H408 L440 L441 D445 E446 T447	H408-H443 HydrophobicContact CB-CB 3.66Å; H408-H443 AromaticContact CD2-CG 3.75Å; H408-H443 AromaticContact CD2-ND1 3.67Å; H408-H443 AromaticContact CE1-CD2 3.36Å; H408-H443 PolarHBondContact CE1-CD2 3.37Å; H408-H443 AromaticContact CE1-CE1 3.65Å; H408-H443 AromaticContact CE1-CG 3.48Å; H408-H443 VanDerWaalsContact CE1-CG 3.48Å; H408-H443 AromaticContact CE1-ND1 3.65Å; H408-H443 AromaticContact CE1-NE2 3.52Å; H408-H443 AromaticContact CG-CG 3.64Å; H408-H443 AromaticContact ND1-CD2 3.5Å; H408-H443 AromaticContact ND1-CG 3.46Å; H408-H443 AromaticContact NE2-CD2 3.95Å; H408-H443 AromaticContact NE2-CE1 3.58Å; H408-H443 AromaticContact NE2-CG 3.68Å; H408-H443 AromaticContact NE2-ND1 3.42Å; H408-H443 PolarHBondContact NE2-ND1 3.45Å; H408-H443 AromaticContact NE2-NE2 3.93Å; L440-H443 PolarHBondContact O-N 2.77Å; L440-H443 VanDerWaalsContact O-N 3.07Å; L441-H443 VanDerWaalsContact C-N 3.32Å; H443-D445 VanDerWaalsContact C-N 3.26Å; H443-D445 PolarHBondContact O-N 2.82Å; H443-E446 PolarHBondContact O-N 2.74Å; H443-T447 WeakPolarHBondContact O-CB 3.49Å; H443-T447 PolarHBondContact O-N 3.31Å; H443-T447 PolarHBondContact O-OG1 2.93Å
444	L	95.9	Very high	92.3	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-63.5	-30.6	-176.4	-178.6	63.9	0	0	0	112.6	L429 L440 L441 L448 L471 Y494	L429-L444 HydrophobicContact CD2-CD1 4.1Å; L429-L444 HydrophobicContact CD2-CD2 4.49Å; L440-L444 HydrophobicContact CG-CD1 4.48Å; L440-L444 PolarHBondContact O-N 2.9Å; L440-L444 VanDerWaalsContact O-N 3.08Å; L441-L444 HydrophobicContact CD2-CB 4.25Å; L441-L444 HydrophobicContact CD2-CD2 3.54Å; L444-L448 HydrophobicContact CD1-CD1 3.93Å; L444-L448 HydrophobicContact CD1-CD2 4.42Å; L444-L448 HydrophobicContact CD1-CG 3.83Å; L444-L448 HydrophobicContact CD2-CD1 4.27Å; L444-L448 HydrophobicContact CG-CD1 3.77Å; L444-L448 HydrophobicContact CG-CG 4.11Å; L444-L448 VanDerWaalsContact O-CB 3.28Å; L444-L448 WeakPolarHBondContact O-CB 3.33Å; L444-L448 WeakPolarHBondContact O-CG 3.47Å; L444-L448 PolarHBondContact O-N 2.77Å; L444-L471 HydrophobicContact CD2-CD2 4.27Å; L444-Y494 HydrophobicContact CD2-CD1 4.45Å; L444-Y494 HydrophobicContact CD2-CE1 3.94Å
445	D	94	Very high	90	Very high	39 Å²	39	34.7 Å²	34.7	21%	0.209	19%	0.189	C	C	.	.	H	α-helix	trans	-70.2	-46.4	175.7	37.6	14.6	0	0	0	113	H443 T447 E449 R493 C496	H443-D445 VanDerWaalsContact C-N 3.26Å; H443-D445 PolarHBondContact O-N 2.82Å; D445-T447 VanDerWaalsContact C-N 3.31Å; D445-T447 PolarHBondContact O-N 3.36Å; D445-E449 VanDerWaalsContact O-CB 3.3Å; D445-E449 WeakPolarHBondContact O-CB 3.32Å; D445-E449 WeakPolarHBondContact O-CG 3.38Å; D445-E449 PolarHBondContact O-N 3.14Å; D445-R493 IonicContact OD1-CZ 2.68Å; D445-R493 IonicContact OD1-NE 2.97Å; D445-R493 IonicContact OD1-NH1 2.72Å; D445-R493 WeakPolarHBondContact OD2-CD 3.38Å; D445-R493 IonicContact OD2-CZ 3.72Å; D445-R493 IonicContact OD2-NE 3.76Å; D445-R493 IonicContact OD2-NH1 3.13Å; D445-R493 PolarHBondContact OD2-NH1 3.39Å; D445-C496 HydrophobicContact CB-CB 4Å
446	E	93.9	Very high	87.8	Confident	57 Å²	57	38 Å²	38	27%	0.266	21%	0.209	S	C	.	.	H	α-helix	trans	-60.7	-42	170.7	-177.1	172.7	-158.8	0	0	111.1	H408 K412 H443 E449 L450	H408-E446 IonicContact CD2-OE2 3.46Å; H408-E446 PolarHBondContact CD2-OE2 2.82Å; K412-E446 WeakPolarHBondContact CE-OE1 3.29Å; K412-E446 IonicContact NZ-OE1 2.86Å; K412-E446 PolarHBondContact NZ-OE1 3.42Å; H443-E446 PolarHBondContact O-N 2.74Å; E446-E449 PolarHBondContact O-N 2.7Å; E446-L450 HydrophobicContact CG-CD1 3.88Å; E446-L450 HydrophobicContact CG-CG 4.49Å; E446-L450 WeakPolarHBondContact O-CB 3.47Å; E446-L450 VanDerWaalsContact O-CG 3.32Å; E446-L450 WeakPolarHBondContact O-CG 3.42Å; E446-L450 PolarHBondContact O-N 2.89Å
447	T	94.6	Very high	85.6	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-62.1	-49.8	178.8	-56.6	0	0	0	0	111.8	F407 H408 V411 L425 H443 D445 L450 V451	F407-T447 HydrophobicContact CD1-CG2 3.86Å; F407-T447 HydrophobicContact CE1-CG2 3.92Å; H408-T447 WeakPolarHBondContact CB-OG1 3.46Å; V411-T447 HydrophobicContact CG2-CG2 4.42Å; L425-T447 HydrophobicContact CD1-CG2 4Å; L425-T447 HydrophobicContact CD2-CG2 4.33Å; H443-T447 WeakPolarHBondContact O-CB 3.49Å; H443-T447 PolarHBondContact O-N 3.31Å; H443-T447 PolarHBondContact O-OG1 2.93Å; D445-T447 VanDerWaalsContact C-N 3.31Å; D445-T447 PolarHBondContact O-N 3.36Å; T447-L450 PolarHBondContact O-N 3.08Å; T447-V451 WeakPolarHBondContact O-CB 3.49Å; T447-V451 VanDerWaalsContact O-CG2 3.26Å; T447-V451 WeakPolarHBondContact O-CG2 3.35Å; T447-V451 PolarHBondContact O-N 2.81Å
448	L	93.1	Very high	83.5	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-69.6	-32.8	178.3	-70.5	174.6	0	0	0	112.1	L444 L452 L467 L471 L497 L500	L444-L448 HydrophobicContact CD1-CD1 3.93Å; L444-L448 HydrophobicContact CD1-CD2 4.42Å; L444-L448 HydrophobicContact CD1-CG 3.83Å; L444-L448 HydrophobicContact CD2-CD1 4.27Å; L444-L448 HydrophobicContact CG-CD1 3.77Å; L444-L448 HydrophobicContact CG-CG 4.11Å; L444-L448 VanDerWaalsContact O-CB 3.28Å; L444-L448 WeakPolarHBondContact O-CB 3.33Å; L444-L448 WeakPolarHBondContact O-CG 3.47Å; L444-L448 PolarHBondContact O-N 2.77Å; L448-L452 HydrophobicContact CB-CD1 4.43Å; L448-L452 VanDerWaalsContact O-CB 3.24Å; L448-L452 WeakPolarHBondContact O-CB 3.44Å; L448-L452 WeakPolarHBondContact O-CG 3.48Å; L448-L452 PolarHBondContact O-N 3.41Å; L448-L467 HydrophobicContact CD2-CD1 4.24Å; L448-L467 HydrophobicContact CD2-CD2 4.04Å; L448-L467 HydrophobicContact CD2-CG 4.5Å; L448-L471 HydrophobicContact CD1-CD2 4.35Å; L448-L497 HydrophobicContact CD1-CD2 3.84Å; L448-L500 HydrophobicContact CB-CD1 3.77Å
449	E	90.9	Very high	81.6	Confident	72 Å²	72	49.3 Å²	49.3	34%	0.336	27%	0.268	S	S	.	.	H	α-helix	trans	-61.5	-50	170.8	-87.1	-176.2	-147.6	0	0	111.3	D445 E446 V451 S453 R499 L500	D445-E449 VanDerWaalsContact O-CB 3.3Å; D445-E449 WeakPolarHBondContact O-CB 3.32Å; D445-E449 WeakPolarHBondContact O-CG 3.38Å; D445-E449 PolarHBondContact O-N 3.14Å; E446-E449 PolarHBondContact O-N 2.7Å; E449-V451 PolarHBondContact O-N 3.48Å; E449-S453 WeakPolarHBondContact O-CA 3.38Å; E449-S453 WeakPolarHBondContact O-CB 3.21Å; E449-S453 PolarHBondContact O-N 3.2Å; E449-S453 PolarHBondContact O-OG 3.27Å; E449-R499 IonicContact OE1-CZ 3.28Å; E449-R499 IonicContact OE1-NH1 3.61Å; E449-R499 PolarHBondContact OE1-NH1 3.08Å; E449-R499 IonicContact OE1-NH2 2.79Å; E449-R499 PolarHBondContact OE1-NH2 3.11Å; E449-L500 HydrophobicContact CG-CD1 4.15Å; E449-L500 HydrophobicContact CG-CD2 3.53Å; E449-L500 HydrophobicContact CG-CG 4.47Å
450	L	89.9	Confident	79.7	Confident	41 Å²	41	49.7 Å²	49.7	22%	0.215	27%	0.269	C	S	.	.	H	α-helix	trans	-63.9	-42	179.8	-70.5	166.1	0	0	0	112.1	V411 K412 E446 T447 S453	V411-L450 HydrophobicContact CG1-CB 3.55Å; V411-L450 HydrophobicContact CG1-CD1 3.96Å; V411-L450 HydrophobicContact CG1-CG 4.4Å; K412-L450 HydrophobicContact CB-CD1 3.85Å; K412-L450 HydrophobicContact CG-CD1 4.18Å; E446-L450 HydrophobicContact CG-CD1 3.88Å; E446-L450 HydrophobicContact CG-CG 4.49Å; E446-L450 WeakPolarHBondContact O-CB 3.47Å; E446-L450 VanDerWaalsContact O-CG 3.32Å; E446-L450 WeakPolarHBondContact O-CG 3.42Å; E446-L450 PolarHBondContact O-N 2.89Å; T447-L450 PolarHBondContact O-N 3.08Å; L450-S453 PolarHBondContact O-OG 2.9Å
451	V	88.7	Confident	78.1	Confident	10 Å²	10	54.3 Å²	54.3	6%	0.061	29%	0.294	C	S	.	.	H	α-helix	trans	-64.4	-50.1	176.7	171.8	0	0	0	0	111.9	V411 V418 L425 T447 E449 L460 L467	V411-V451 HydrophobicContact CG1-CG2 4.33Å; V418-V451 HydrophobicContact CG1-CB 4.21Å; V418-V451 HydrophobicContact CG1-CG2 3.61Å; L425-V451 HydrophobicContact CD2-CG2 4.02Å; T447-V451 WeakPolarHBondContact O-CB 3.49Å; T447-V451 VanDerWaalsContact O-CG2 3.26Å; T447-V451 WeakPolarHBondContact O-CG2 3.35Å; T447-V451 PolarHBondContact O-N 2.81Å; E449-V451 PolarHBondContact O-N 3.48Å; V451-L460 HydrophobicContact CG1-CD1 4.06Å; V451-L460 HydrophobicContact CG1-CD2 4.22Å; V451-L460 WeakPolarHBondContact O-CD2 3.12Å; V451-L467 HydrophobicContact CG1-CD2 4.46Å
452	L	85.3	Confident	76.9	Confident	32 Å²	32	60.6 Å²	60.6	17%	0.168	33%	0.327	C	S	.	.	H	α-helix	trans	-87.9	-12.6	-171.4	-61.2	170.3	0	0	0	114.2	L448 R454 L460 L464 L467 L500 L501	L448-L452 HydrophobicContact CB-CD1 4.43Å; L448-L452 VanDerWaalsContact O-CB 3.24Å; L448-L452 WeakPolarHBondContact O-CB 3.44Å; L448-L452 WeakPolarHBondContact O-CG 3.48Å; L448-L452 PolarHBondContact O-N 3.41Å; L452-R454 PolarHBondContact O-N 2.93Å; L452-L460 HydrophobicContact CD2-CD2 4.29Å; L452-L464 HydrophobicContact CD2-CD1 3.95Å; L452-L467 HydrophobicContact CD2-CD2 4.15Å; L452-L500 HydrophobicContact CD1-CB 3.84Å; L452-L500 HydrophobicContact CD1-CD1 4.11Å; L452-L501 HydrophobicContact CD1-CD2 3.95Å; L452-L501 HydrophobicContact CD1-CG 4.5Å; L452-L501 HydrophobicContact CD2-CD2 4.46Å
453	S	74.8	Confident	76.2	Confident	38 Å²	38	60.4 Å²	60.4	27%	0.266	32%	0.323	S	S	.	.	S	Bend	trans	-78	-16.9	-172.2	59.2	0	0	0	0	115.9	E449 L450 G455 R808	E449-S453 WeakPolarHBondContact O-CA 3.38Å; E449-S453 WeakPolarHBondContact O-CB 3.21Å; E449-S453 PolarHBondContact O-N 3.2Å; E449-S453 PolarHBondContact O-OG 3.27Å; L450-S453 PolarHBondContact O-OG 2.9Å; S453-G455 PolarHBondContact O-N 2.96Å; S453-R808 PolarHBondContact O-NH1 2.83Å; S453-R808 PolarHBondContact O-NH2 3.13Å
454	R	60	Low	75.8	Confident	96 Å²	96	58.6 Å²	58.6	36%	0.362	32%	0.315	S	S	.	.			trans	-99.3	67.8	-178	-60.8	-165.3	-175.3	-153.7	6.8	111.4	E415 L452 D456 N457	E415-R454 VanDerWaalsContact C-NH1 3.33Å; E415-R454 WeakPolarHBondContact O-CD 3.24Å; E415-R454 PolarHBondContact O-NE 3.12Å; E415-R454 VanDerWaalsContact O-NE 3.1Å; E415-R454 PolarHBondContact O-NH1 3.29Å; E415-R454 IonicContact OE2-CZ 3.57Å; E415-R454 IonicContact OE2-NH1 2.7Å; E415-R454 PolarHBondContact OE2-NH1 2.76Å; E415-R454 IonicContact OE2-NH2 2.74Å; E415-R454 PolarHBondContact OE2-NH2 3.5Å; L452-R454 PolarHBondContact O-N 2.93Å; R454-D456 PolarHBondContact O-N 2.98Å; R454-N457 PolarHBondContact O-N 3.46Å
455	G	49.3	Very low	75.6	Confident	65 Å²	65	62.7 Å²	62.7	67%	0.67	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	21.8	-174.7	0	0	0	0	0	117.3	S453	S453-G455 PolarHBondContact O-N 2.96Å
456	D	50.5	Low	75.6	Confident	156 Å²	156	65.6 Å²	65.6	83%	0.834	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-10.5	167.5	-56.5	-68.7	0	0	0	111.4	R454 L458	R454-D456 PolarHBondContact O-N 2.98Å; D456-L458 PolarHBondContact O-N 2.71Å
457	N	52.6	Low	75.6	Confident	53 Å²	53	63 Å²	63	28%	0.283	34%	0.342	S	S	.	.			trans	-85.4	85.8	-177.6	-77.8	-35.7	0	0	0	112.7	R454 I459 L460	R454-N457 PolarHBondContact O-N 3.46Å; N457-I459 PolarHBondContact O-N 2.74Å; N457-L460 HydrophobicContact CB-CB 4.39Å; N457-L460 WeakPolarHBondContact O-CB 3.43Å; N457-L460 PolarHBondContact O-N 3.34Å
458	L	54.6	Low	75.6	Confident	135 Å²	135	63.4 Å²	63.4	71%	0.707	34%	0.344	S	S	*	.	H	α-helix	trans	-47.3	-25.3	171	-73.3	164	0	0	0	114.7	D456 L460 N462	D456-L458 PolarHBondContact O-N 2.71Å; L458-L460 VanDerWaalsContact C-N 3.34Å; L458-N462 PolarHBondContact O-ND2 3.27Å
459	I	57.3	Low	75.8	Confident	92 Å²	92	66.8 Å²	66.8	47%	0.472	37%	0.368	S	S	.	.	H	α-helix	trans	-67.7	-33.7	177.2	-60.1	173.6	0	0	0	111.5	N457	N457-I459 PolarHBondContact O-N 2.74Å
460	L	59.2	Low	76.1	Confident	16 Å²	16	63.4 Å²	63.4	8%	0.084	35%	0.352	C	S	.	.	H	α-helix	trans	-78.6	-37.3	-176.8	-168.6	72.4	0	0	0	112.1	V451 L452 N457 L458 N462 K463 L464	V451-L460 HydrophobicContact CG1-CD1 4.06Å; V451-L460 HydrophobicContact CG1-CD2 4.22Å; V451-L460 WeakPolarHBondContact O-CD2 3.12Å; L452-L460 HydrophobicContact CD2-CD2 4.29Å; N457-L460 HydrophobicContact CB-CB 4.39Å; N457-L460 WeakPolarHBondContact O-CB 3.43Å; N457-L460 PolarHBondContact O-N 3.34Å; L458-L460 VanDerWaalsContact C-N 3.34Å; L460-N462 PolarHBondContact O-N 2.68Å; L460-K463 CarbonylContact O-C 3.57Å; L460-K463 WeakPolarHBondContact O-CA 3.49Å; L460-K463 PolarHBondContact O-N 3.41Å; L460-L464 PolarHBondContact O-N 2.96Å
461	D	64.3	Low	76.5	Confident	99 Å²	99	61.5 Å²	61.5	53%	0.529	34%	0.342	S	S	.	.	H	α-helix	trans	-57.4	-39.7	175.6	-71	-30.7	0	0	0	111.6	K463 L464	D461-K463 VanDerWaalsContact C-N 3.29Å; D461-K463 PolarHBondContact O-N 3.48Å; D461-L464 PolarHBondContact O-N 2.66Å
462	N	72.1	Confident	76.9	Confident	131 Å²	131	63.4 Å²	63.4	70%	0.701	35%	0.352	S	S	*	.	H	α-helix	trans	-66.1	-27.6	175.1	-71.2	-50	0	0	0	113.4	L458 L460	L458-N462 PolarHBondContact O-ND2 3.27Å; L460-N462 PolarHBondContact O-N 2.68Å
463	K	82.6	Confident	77.4	Confident	68 Å²	68	64 Å²	64	30%	0.296	36%	0.359	S	S	.	.	H	α-helix	trans	-95.5	-11.7	179	-67	-172.9	178.4	-174	0	114	L460 D461 P465 E466 L467	L460-K463 CarbonylContact O-C 3.57Å; L460-K463 WeakPolarHBondContact O-CA 3.49Å; L460-K463 PolarHBondContact O-N 3.41Å; D461-K463 VanDerWaalsContact C-N 3.29Å; D461-K463 PolarHBondContact O-N 3.48Å; K463-P465 VanDerWaalsContact C-N 3.3Å; K463-E466 WeakPolarHBondContact O-CB 3.5Å; K463-E466 PolarHBondContact O-N 2.69Å; K463-L467 PolarHBondContact O-N 3.3Å
464	L	88.4	Confident	78.5	Confident	28 Å²	28	62.2 Å²	62.2	15%	0.147	35%	0.346	C	S	.	.	H	α-helix	trans	-50.7	-41.5	-179.4	-178.6	59.6	0	0	0	113.3	L452 L460 D461 E466 L467 L468 L501 L505	L452-L464 HydrophobicContact CD2-CD1 3.95Å; L460-L464 PolarHBondContact O-N 2.96Å; D461-L464 PolarHBondContact O-N 2.66Å; L464-E466 VanDerWaalsContact C-N 3.29Å; L464-E466 PolarHBondContact O-N 2.7Å; L464-L467 PolarHBondContact O-N 3.04Å; L464-L468 HydrophobicContact CD1-CD2 3.95Å; L464-L468 HydrophobicContact CD1-CG 4.29Å; L464-L468 HydrophobicContact CG-CD2 4.49Å; L464-L468 HydrophobicContact CG-CG 4.34Å; L464-L468 WeakPolarHBondContact O-CG 3.4Å; L464-L468 PolarHBondContact O-N 3.12Å; L464-L501 HydrophobicContact CD1-CD2 3.92Å; L464-L501 HydrophobicContact CD2-CD2 4.37Å; L464-L505 HydrophobicContact CD2-CD2 3.84Å
465	P	91.6	Very high	80.3	Confident	86 Å²	86	57.8 Å²	57.8	56%	0.558	33%	0.33	S	S	*	.	H	α-helix	trans	-59.5	-33.7	177.1	-25	36	0	0	0	114.4	K463 L468 S469	K463-P465 VanDerWaalsContact C-N 3.3Å; P465-L468 PolarHBondContact O-N 3.3Å; P465-S469 WeakPolarHBondContact O-CB 3.42Å; P465-S469 PolarHBondContact O-N 2.94Å
466	E	93.6	Very high	82.5	Confident	101 Å²	101	60.6 Å²	60.6	47%	0.472	33%	0.325	S	S	.	.	H	α-helix	trans	-66.9	-43.5	177	-60.4	176.7	-165.2	0	0	110.5	L426 K463 L464 S469 A470	L426-E466 HydrophobicContact CD1-CB 3.85Å; L426-E466 WeakPolarHBondContact CD1-OE2 3.3Å; L426-E466 HydrophobicContact CD2-CB 4.24Å; K463-E466 WeakPolarHBondContact O-CB 3.5Å; K463-E466 PolarHBondContact O-N 2.69Å; L464-E466 VanDerWaalsContact C-N 3.29Å; L464-E466 PolarHBondContact O-N 2.7Å; E466-S469 WeakPolarHBondContact O-CB 3.48Å; E466-S469 PolarHBondContact O-N 2.92Å; E466-A470 WeakPolarHBondContact O-CB 3.31Å; E466-A470 PolarHBondContact O-N 3.23Å
467	L	94	Very high	84.7	Confident	1 Å²	1	56 Å²	56	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-64.9	-40	176	-178.5	61.1	0	0	0	112.4	L425 L426 L429 L448 V451 L452 K463 L464 S469 A470 L471	L425-L467 HydrophobicContact CD2-CD1 3.99Å; L425-L467 HydrophobicContact CG-CD1 4.31Å; L426-L467 HydrophobicContact CD2-CB 4.15Å; L426-L467 HydrophobicContact CD2-CD1 4.23Å; L429-L467 HydrophobicContact CD1-CD1 3.65Å; L448-L467 HydrophobicContact CD2-CD1 4.24Å; L448-L467 HydrophobicContact CD2-CD2 4.04Å; L448-L467 HydrophobicContact CD2-CG 4.5Å; V451-L467 HydrophobicContact CG1-CD2 4.46Å; L452-L467 HydrophobicContact CD2-CD2 4.15Å; K463-L467 PolarHBondContact O-N 3.3Å; L464-L467 PolarHBondContact O-N 3.04Å; L467-S469 VanDerWaalsContact C-N 3.33Å; L467-A470 PolarHBondContact O-N 3.17Å; L467-L471 HydrophobicContact CG-CD1 4.39Å; L467-L471 WeakPolarHBondContact O-CG 3.28Å; L467-L471 PolarHBondContact O-N 3.46Å
468	L	95.1	Very high	86.9	Confident	11 Å²	11	53.6 Å²	53.6	6%	0.058	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-40.3	174.5	-60.5	-163.1	0	0	0	111.8	L464 P465 L471 L472 L501 L505 T509 F510	L464-L468 HydrophobicContact CD1-CD2 3.95Å; L464-L468 HydrophobicContact CD1-CG 4.29Å; L464-L468 HydrophobicContact CG-CD2 4.49Å; L464-L468 HydrophobicContact CG-CG 4.34Å; L464-L468 WeakPolarHBondContact O-CG 3.4Å; L464-L468 PolarHBondContact O-N 3.12Å; P465-L468 PolarHBondContact O-N 3.3Å; L468-L471 PolarHBondContact O-N 2.99Å; L468-L472 PolarHBondContact O-N 2.87Å; L468-L501 HydrophobicContact CD2-CD1 3.65Å; L468-L505 HydrophobicContact CD1-CD1 3.77Å; L468-L505 HydrophobicContact CD1-CD2 3.92Å; L468-L505 HydrophobicContact CD1-CG 3.75Å; L468-T509 HydrophobicContact CB-CG2 4.2Å; L468-T509 HydrophobicContact CD1-CG2 4.16Å; L468-F510 HydrophobicContact CD2-CE2 4.08Å; L468-F510 HydrophobicContact CD2-CZ 4.34Å
469	S	96.3	Very high	88.8	Confident	72 Å²	72	48.5 Å²	48.5	50%	0.503	27%	0.265	S	S	.	.	H	α-helix	trans	-63.4	-42.8	174.4	-169.8	0	0	0	0	111.7	P465 E466 L467 L471 L472 S473	P465-S469 WeakPolarHBondContact O-CB 3.42Å; P465-S469 PolarHBondContact O-N 2.94Å; E466-S469 WeakPolarHBondContact O-CB 3.48Å; E466-S469 PolarHBondContact O-N 2.92Å; L467-S469 VanDerWaalsContact C-N 3.33Å; S469-L471 PolarHBondContact O-N 3.23Å; S469-L472 PolarHBondContact O-N 3.37Å; S469-S473 WeakPolarHBondContact O-CB 3.36Å; S469-S473 PolarHBondContact O-N 2.91Å
470	A	97.6	Very high	90.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.9	-41.2	175.8	0	0	0	0	0	112.5	L426 L429 Q430 E466 L467 S473 A474	L426-A470 HydrophobicContact CD2-CB 3.66Å; L429-A470 HydrophobicContact CB-CB 4.03Å; L429-A470 HydrophobicContact CD1-CB 3.96Å; Q430-A470 HydrophobicContact CG-CB 4.11Å; E466-A470 WeakPolarHBondContact O-CB 3.31Å; E466-A470 PolarHBondContact O-N 3.23Å; L467-A470 PolarHBondContact O-N 3.17Å; A470-S473 PolarHBondContact O-N 2.92Å; A470-A474 WeakPolarHBondContact O-CB 3.27Å; A470-A474 PolarHBondContact O-N 2.67Å
471	L	97.6	Very high	92.3	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-65.5	-44.8	174.7	-69.1	166.8	0	0	0	111.8	L429 L444 L448 L467 L468 S469 S473 A474 E475 Y494 L497 F510	L429-L471 HydrophobicContact CD1-CD2 4.17Å; L429-L471 HydrophobicContact CD1-CG 4.4Å; L429-L471 HydrophobicContact CD2-CD2 3.99Å; L444-L471 HydrophobicContact CD2-CD2 4.27Å; L448-L471 HydrophobicContact CD1-CD2 4.35Å; L467-L471 HydrophobicContact CG-CD1 4.39Å; L467-L471 WeakPolarHBondContact O-CG 3.28Å; L467-L471 PolarHBondContact O-N 3.46Å; L468-L471 PolarHBondContact O-N 2.99Å; S469-L471 PolarHBondContact O-N 3.23Å; L471-S473 VanDerWaalsContact C-N 3.31Å; L471-S473 PolarHBondContact O-N 3.3Å; L471-A474 PolarHBondContact O-N 3.41Å; L471-E475 PolarHBondContact O-N 3.29Å; L471-Y494 WeakPolarHBondContact CA-OH 3.4Å; L471-Y494 HydrophobicContact CB-CE2 4.36Å; L471-Y494 HydrophobicContact CD2-CE1 3.81Å; L471-Y494 PolarHBondContact O-OH 3.11Å; L471-L497 HydrophobicContact CD1-CD2 4.19Å; L471-F510 HydrophobicContact CB-CE1 4.03Å; L471-F510 HydrophobicContact CB-CZ 3.98Å; L471-F510 HydrophobicContact CD1-CZ 4.2Å
472	L	97.4	Very high	93.7	Very high	50 Å²	50	53.2 Å²	53.2	26%	0.262	30%	0.301	S	S	.	.	H	α-helix	trans	-62.5	-37.9	174.2	-72.9	178.6	0	0	0	112.5	L468 S469 E475 Q476 T509 F510 R513	L468-L472 PolarHBondContact O-N 2.87Å; S469-L472 PolarHBondContact O-N 3.37Å; L472-E475 PolarHBondContact O-N 3.06Å; L472-Q476 WeakPolarHBondContact O-CB 3.25Å; L472-Q476 PolarHBondContact O-N 3.23Å; L472-T509 HydrophobicContact CD1-CG2 3.66Å; L472-T509 HydrophobicContact CG-CG2 4.2Å; L472-F510 HydrophobicContact CD2-CD1 3.63Å; L472-F510 HydrophobicContact CD2-CE1 3.76Å; L472-F510 HydrophobicContact CD2-CG 4.45Å; L472-F510 HydrophobicContact CG-CD1 4.37Å; L472-F510 HydrophobicContact CG-CE1 4.04Å; L472-R513 HydrophobicContact CD2-CB 4.43Å; L472-R513 HydrophobicContact CD2-CG 4.35Å
473	S	97.3	Very high	94.9	Very high	46 Å²	46	52.9 Å²	52.9	32%	0.322	29%	0.289	S	S	.	.	H	α-helix	trans	-64.5	-45.1	175.1	-173	0	0	0	0	112	S469 A470 L471 E475 Q476 K477	S469-S473 WeakPolarHBondContact O-CB 3.36Å; S469-S473 PolarHBondContact O-N 2.91Å; A470-S473 PolarHBondContact O-N 2.92Å; L471-S473 VanDerWaalsContact C-N 3.31Å; L471-S473 PolarHBondContact O-N 3.3Å; S473-E475 PolarHBondContact O-N 3.01Å; S473-Q476 PolarHBondContact O-N 2.86Å; S473-K477 WeakPolarHBondContact O-CB 3.46Å; S473-K477 PolarHBondContact O-N 3.4Å
474	A	97.8	Very high	95.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.1	-47.4	175.3	0	0	0	0	0	111.6	L429 L437 A470 L471 K477 V478 L490	L429-A474 HydrophobicContact CD2-CB 4.46Å; L429-A474 WeakPolarHBondContact O-CB 3.46Å; L437-A474 HydrophobicContact CD1-CB 4.16Å; L437-A474 HydrophobicContact CD2-CB 3.92Å; A470-A474 WeakPolarHBondContact O-CB 3.27Å; A470-A474 PolarHBondContact O-N 2.67Å; L471-A474 PolarHBondContact O-N 3.41Å; A474-K477 PolarHBondContact O-N 3.43Å; A474-V478 WeakPolarHBondContact O-CG2 3.15Å; A474-V478 PolarHBondContact O-N 3Å; A474-L490 HydrophobicContact CB-CD1 4.41Å
475	E	96.9	Very high	96	Very high	3 Å²	3	60.6 Å²	60.6	1%	0.014	32%	0.315	C	S	.	.	H	α-helix	trans	-61.3	-49.1	174.8	-172.8	-75.3	139	0	0	111.4	L471 L472 S473 K477 V478 G479 H487 L490 Y494 R513 I517	L471-E475 PolarHBondContact O-N 3.29Å; L472-E475 PolarHBondContact O-N 3.06Å; S473-E475 PolarHBondContact O-N 3.01Å; E475-K477 VanDerWaalsContact C-N 3.27Å; E475-K477 PolarHBondContact O-N 3.49Å; E475-V478 PolarHBondContact O-N 3.27Å; E475-G479 PolarHBondContact O-N 2.93Å; E475-H487 IonicContact OE1-CD2 2.68Å; E475-H487 IonicContact OE1-CE1 3.92Å; E475-H487 PolarHBondContact OE1-CE1 2.89Å; E475-H487 IonicContact OE1-NE2 2.74Å; E475-H487 PolarHBondContact OE1-NE2 3.23Å; E475-L490 HydrophobicContact CB-CD1 4.4Å; E475-L490 HydrophobicContact CB-CD2 3.79Å; E475-L490 HydrophobicContact CG-CD2 3.79Å; E475-Y494 HydrophobicContact CB-CE2 4.13Å; E475-R513 VanDerWaalsContact CD-NH2 3.31Å; E475-R513 IonicContact OE1-CZ 2.88Å; E475-R513 IonicContact OE1-NE 2.76Å; E475-R513 IonicContact OE1-NH2 3.71Å; E475-R513 PolarHBondContact OE1-NH2 3.24Å; E475-R513 IonicContact OE2-CZ 2.66Å; E475-R513 IonicContact OE2-NE 3.67Å; E475-R513 PolarHBondContact OE2-NE 3.39Å; E475-R513 IonicContact OE2-NH2 2.78Å; E475-R513 PolarHBondContact OE2-NH2 3.21Å; E475-I517 HydrophobicContact CG-CD1 4.03Å; E475-I517 WeakPolarHBondContact OE1-CD1 3.45Å
476	Q	96.4	Very high	96.3	Very high	124 Å²	124	56.7 Å²	56.7	58%	0.579	29%	0.289	S	S	*	.	H	α-helix	trans	-60.8	-38.1	-179	179.6	174.1	-19.7	0	0	111.7	L472 S473 S480	L472-Q476 WeakPolarHBondContact O-CB 3.25Å; L472-Q476 PolarHBondContact O-N 3.23Å; S473-Q476 PolarHBondContact O-N 2.86Å; Q476-S480 WeakPolarHBondContact O-CB 3.46Å; Q476-S480 PolarHBondContact O-N 2.97Å; Q476-S480 PolarHBondContact O-OG 2.8Å
477	K	96.9	Very high	96.5	Very high	60 Å²	60	52.2 Å²	52.2	26%	0.261	27%	0.268	S	S	.	.	H	α-helix	trans	-65	-47.7	176.4	-162.8	-168	-147.2	108.7	0	111.9	Q430 D431 S432 L434 S473 A474 E475 S480 S481	Q430-K477 PolarHBondContact O-NZ 2.81Å; D431-K477 WeakPolarHBondContact O-CD 3.44Å; D431-K477 WeakPolarHBondContact O-CE 3.4Å; D431-K477 PolarHBondContact O-NZ 3Å; S432-K477 WeakPolarHBondContact O-CE 3.47Å; L434-K477 HydrophobicContact CD2-CD 4.13Å; L434-K477 HydrophobicContact CD2-CG 4.16Å; S473-K477 WeakPolarHBondContact O-CB 3.46Å; S473-K477 PolarHBondContact O-N 3.4Å; A474-K477 PolarHBondContact O-N 3.43Å; E475-K477 VanDerWaalsContact C-N 3.27Å; E475-K477 PolarHBondContact O-N 3.49Å; K477-S480 PolarHBondContact O-OG 3.17Å; K477-S480 VanDerWaalsContact O-OG 3.1Å; K477-S481 PolarHBondContact O-N 3.14Å
478	V	97	Very high	96.7	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-68.7	-43	179.2	175.6	0	0	0	0	111	L434 L437 A474 E475 S480 S481 L486 H487 L490	L434-V478 HydrophobicContact CD2-CG2 4.1Å; L437-V478 HydrophobicContact CD2-CG2 3.45Å; L437-V478 VanDerWaalsContact CD2-CG2 3.45Å; L437-V478 HydrophobicContact CG-CG2 4.4Å; A474-V478 WeakPolarHBondContact O-CG2 3.15Å; A474-V478 PolarHBondContact O-N 3Å; E475-V478 PolarHBondContact O-N 3.27Å; V478-S480 VanDerWaalsContact C-N 3.29Å; V478-S480 PolarHBondContact O-N 2.83Å; V478-S481 VanDerWaalsContact O-CB 3.31Å; V478-S481 WeakPolarHBondContact O-CB 3.48Å; V478-S481 PolarHBondContact O-N 2.66Å; V478-S481 PolarHBondContact O-OG 2.87Å; V478-L486 HydrophobicContact CG1-CB 3.93Å; V478-L486 HydrophobicContact CG1-CD2 4.22Å; V478-L486 HydrophobicContact CG1-CG 3.75Å; V478-L486 HydrophobicContact CG2-CD2 3.96Å; V478-L486 HydrophobicContact CG2-CG 4Å; V478-H487 VanDerWaalsContact CG1-CA 3.4Å; V478-H487 HydrophobicContact CG1-CB 3.73Å; V478-H487 VanDerWaalsContact CG1-N 3.28Å; V478-L490 HydrophobicContact CB-CD1 4.17Å; V478-L490 HydrophobicContact CG2-CD1 3.9Å
479	G	95.3	Very high	96.9	Very high	28 Å²	28	57 Å²	57	29%	0.289	29%	0.289	S	S	.	.	H	α-helix	trans	-73.7	-11.8	-179.3	0	0	0	0	0	115.7	E475 H487	E475-G479 PolarHBondContact O-N 2.93Å; G479-H487 WeakPolarHBondContact CA-CE1 3.35Å; G479-H487 WeakPolarHBondContact CA-ND1 3.16Å
480	S	94.6	Very high	96.9	Very high	98 Å²	98	53.5 Å²	53.5	69%	0.685	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-4.9	166.7	51.9	0	0	0	0	113.2	Q476 K477 V478	Q476-S480 WeakPolarHBondContact O-CB 3.46Å; Q476-S480 PolarHBondContact O-N 2.97Å; Q476-S480 PolarHBondContact O-OG 2.8Å; K477-S480 PolarHBondContact O-OG 3.17Å; K477-S480 VanDerWaalsContact O-OG 3.1Å; V478-S480 VanDerWaalsContact C-N 3.29Å; V478-S480 PolarHBondContact O-N 2.83Å
481	S	95.1	Very high	96.9	Very high	34 Å²	34	53.5 Å²	53.5	24%	0.238	27%	0.265	C	S	.	.	S	Bend	trans	-91.8	170.9	176.5	86.5	0	0	0	0	113.1	K477 V478 R483	K477-S481 PolarHBondContact O-N 3.14Å; V478-S481 VanDerWaalsContact O-CB 3.31Å; V478-S481 WeakPolarHBondContact O-CB 3.48Å; V478-S481 PolarHBondContact O-N 2.66Å; V478-S481 PolarHBondContact O-OG 2.87Å; S481-R483 VanDerWaalsContact C-N 3.33Å; S481-R483 PolarHBondContact OG-N 2.96Å; S481-R483 VanDerWaalsContact OG-N 3.08Å
482	L	94.3	Very high	96.9	Very high	174 Å²	174	56.9 Å²	56.9	91%	0.911	28%	0.281	S	S	*	.	S	Bend	trans	-84.8	-1.4	171.6	-57.4	179.2	0	0	0	113.6	W484	L482-W484 VanDerWaalsContact C-N 3.27Å; L482-W484 PolarHBondContact O-N 2.92Å
483	R	96.4	Very high	96.9	Very high	124 Å²	124	57 Å²	57	47%	0.468	28%	0.278	S	S	.	.			trans	-82.6	60.3	-176.1	-67	-77.6	-68.2	-157.6	-2.7	111.6	L434 D438 S481 R485 L486 H487	L434-R483 HydrophobicContact CD1-CB 4.47Å; L434-R483 HydrophobicContact CD1-CG 3.94Å; D438-R483 IonicContact OD2-NH2 2.74Å; D438-R483 PolarHBondContact OD2-NH2 3.27Å; D438-R483 VanDerWaalsContact OD2-NH2 3.15Å; S481-R483 VanDerWaalsContact C-N 3.33Å; S481-R483 PolarHBondContact OG-N 2.96Å; S481-R483 VanDerWaalsContact OG-N 3.08Å; R483-R485 VanDerWaalsContact C-N 3.26Å; R483-R485 PolarHBondContact O-N 2.7Å; R483-R485 VanDerWaalsContact O-N 3.09Å; R483-L486 HydrophobicContact CB-CB 3.98Å; R483-L486 HydrophobicContact CB-CD2 4.44Å; R483-L486 WeakPolarHBondContact O-CA 3.25Å; R483-L486 VanDerWaalsContact O-CB 3.25Å; R483-L486 WeakPolarHBondContact O-CB 3.49Å; R483-L486 PolarHBondContact O-N 3.22Å; R483-H487 PolarHBondContact O-N 2.78Å
484	W	97.1	Very high	96.8	Very high	86 Å²	86	55 Å²	55	33%	0.326	26%	0.263	S	S	.	.	H	α-helix	trans	-55.4	-33.3	-173.3	68.3	-98.1	0	0	0	115.2	L482 L486 H487 E488 V523 P525 V526	L482-W484 VanDerWaalsContact C-N 3.27Å; L482-W484 PolarHBondContact O-N 2.92Å; W484-L486 VanDerWaalsContact C-N 3.27Å; W484-L486 PolarHBondContact O-N 3.08Å; W484-H487 WeakPolarHBondContact O-CA 3.45Å; W484-H487 WeakPolarHBondContact O-CB 3.32Å; W484-H487 PolarHBondContact O-N 3.05Å; W484-E488 VanDerWaalsContact CZ3-OE2 3.27Å; W484-E488 WeakPolarHBondContact CZ3-OE2 3.49Å; W484-E488 PolarHBondContact O-N 3.38Å; W484-V523 HydrophobicContact CB-CB 4.29Å; W484-V523 HydrophobicContact CB-CG1 3.88Å; W484-V523 HydrophobicContact CB-CG2 4.03Å; W484-V523 HydrophobicContact CD2-CG1 3.75Å; W484-V523 HydrophobicContact CE3-CG1 3.8Å; W484-V523 HydrophobicContact CG-CG1 3.82Å; W484-V523 HydrophobicContact CG-CG2 4.4Å; W484-P525 HydrophobicContact CE3-CB 4.27Å; W484-P525 HydrophobicContact CE3-CG 4.43Å; W484-P525 HydrophobicContact CH2-CG 4.21Å; W484-P525 HydrophobicContact CZ3-CB 3.75Å; W484-P525 HydrophobicContact CZ3-CG 3.76Å; W484-V526 HydrophobicContact CB-CG2 4.03Å; W484-V526 HydrophobicContact CE3-CG2 4.37Å; W484-V526 WeakPolarHBondContact O-CG2 3.32Å
485	R	98.1	Very high	96.5	Very high	173 Å²	173	55.5 Å²	55.5	65%	0.653	27%	0.267	S	S	*	.	H	α-helix	trans	-62.9	-32.6	174.2	-66.6	-175.1	-179	95.6	-2.7	113	R483 H487 K489	R483-R485 VanDerWaalsContact C-N 3.26Å; R483-R485 PolarHBondContact O-N 2.7Å; R483-R485 VanDerWaalsContact O-N 3.09Å; R485-H487 VanDerWaalsContact C-N 3.34Å; R485-K489 VanDerWaalsContact O-CB 3.32Å; R485-K489 WeakPolarHBondContact O-CB 3.38Å; R485-K489 PolarHBondContact O-N 2.78Å
486	L	97.9	Very high	96.3	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.016	27%	0.268	C	S	.	.	H	α-helix	trans	-71.3	-33	173.4	-175.9	57	0	0	0	110.8	L434 D438 L441 V478 R483 W484 K489 L490	L434-L486 HydrophobicContact CB-CD2 3.99Å; L434-L486 HydrophobicContact CD2-CD2 4.42Å; D438-L486 HydrophobicContact CB-CD1 3.71Å; D438-L486 HydrophobicContact CB-CD2 4.3Å; L441-L486 HydrophobicContact CD1-CD1 3.58Å; L441-L486 HydrophobicContact CD1-CG 4.46Å; V478-L486 HydrophobicContact CG1-CB 3.93Å; V478-L486 HydrophobicContact CG1-CD2 4.22Å; V478-L486 HydrophobicContact CG1-CG 3.75Å; V478-L486 HydrophobicContact CG2-CD2 3.96Å; V478-L486 HydrophobicContact CG2-CG 4Å; R483-L486 HydrophobicContact CB-CB 3.98Å; R483-L486 HydrophobicContact CB-CD2 4.44Å; R483-L486 WeakPolarHBondContact O-CA 3.25Å; R483-L486 VanDerWaalsContact O-CB 3.25Å; R483-L486 WeakPolarHBondContact O-CB 3.49Å; R483-L486 PolarHBondContact O-N 3.22Å; W484-L486 VanDerWaalsContact C-N 3.27Å; W484-L486 PolarHBondContact O-N 3.08Å; L486-K489 HydrophobicContact CD1-CD 4.22Å; L486-L490 VanDerWaalsContact O-CB 3.24Å; L486-L490 WeakPolarHBondContact O-CB 3.24Å; L486-L490 PolarHBondContact O-N 2.91Å
487	H	98	Very high	96.1	Very high	7 Å²	7	49.7 Å²	49.7	3%	0.032	24%	0.24	C	C	.	.	H	α-helix	trans	-68.3	-44.9	176.1	-157.9	-176.1	0	0	0	111.4	E475 V478 G479 R483 W484 R485 L490 L491 N521 V526	E475-H487 IonicContact OE1-CD2 2.68Å; E475-H487 IonicContact OE1-CE1 3.92Å; E475-H487 PolarHBondContact OE1-CE1 2.89Å; E475-H487 IonicContact OE1-NE2 2.74Å; E475-H487 PolarHBondContact OE1-NE2 3.23Å; V478-H487 VanDerWaalsContact CG1-CA 3.4Å; V478-H487 HydrophobicContact CG1-CB 3.73Å; V478-H487 VanDerWaalsContact CG1-N 3.28Å; G479-H487 WeakPolarHBondContact CA-CE1 3.35Å; G479-H487 WeakPolarHBondContact CA-ND1 3.16Å; R483-H487 PolarHBondContact O-N 2.78Å; W484-H487 WeakPolarHBondContact O-CA 3.45Å; W484-H487 WeakPolarHBondContact O-CB 3.32Å; W484-H487 PolarHBondContact O-N 3.05Å; R485-H487 VanDerWaalsContact C-N 3.34Å; H487-L490 PolarHBondContact O-N 3.35Å; H487-L491 VanDerWaalsContact O-CG 3.25Å; H487-L491 WeakPolarHBondContact O-CG 3.41Å; H487-L491 PolarHBondContact O-N 3.07Å; H487-N521 PolarHBondContact ND1-ND2 2.78Å; H487-V526 HydrophobicContact CB-CG1 4.09Å; H487-V526 HydrophobicContact CB-CG2 4.17Å; H487-V526 WeakPolarHBondContact ND1-CG1 3.38Å
488	E	98.2	Very high	95.9	Very high	65 Å²	65	47.6 Å²	47.6	30%	0.304	23%	0.233	S	C	.	.	H	α-helix	trans	-57.5	-52.1	171.3	179.7	177.6	-147.6	0	0	111.7	W484 L490 L491 H492 P525 V526 E529	W484-E488 VanDerWaalsContact CZ3-OE2 3.27Å; W484-E488 WeakPolarHBondContact CZ3-OE2 3.49Å; W484-E488 PolarHBondContact O-N 3.38Å; E488-L490 VanDerWaalsContact C-N 3.3Å; E488-L490 PolarHBondContact O-N 3.2Å; E488-L491 PolarHBondContact O-N 2.97Å; E488-H492 WeakPolarHBondContact O-CB 3.34Å; E488-H492 PolarHBondContact O-N 3.13Å; E488-P525 VanDerWaalsContact OE1-CB 3.28Å; E488-P525 WeakPolarHBondContact OE1-CB 3.42Å; E488-V526 HydrophobicContact CB-CG2 4.29Å; E488-E529 HydrophobicContact CG-CB 4.35Å
489	K	98.1	Very high	95.5	Very high	47 Å²	47	53.1 Å²	53.1	20%	0.204	25%	0.254	C	S	.	.	H	α-helix	trans	-54.5	-43	175.2	-173.8	-169.2	-170.4	-174.5	0	112.7	D438 L441 N442 R485 L486 H492 R493	D438-K489 PolarHBondContact O-NZ 3.43Å; D438-K489 IonicContact OD1-NZ 2.7Å; D438-K489 PolarHBondContact OD1-NZ 3.43Å; L441-K489 HydrophobicContact CB-CD 4Å; L441-K489 HydrophobicContact CB-CG 4.46Å; N442-K489 WeakPolarHBondContact OD1-CE 3.29Å; N442-K489 PolarHBondContact OD1-NZ 3.36Å; R485-K489 VanDerWaalsContact O-CB 3.32Å; R485-K489 WeakPolarHBondContact O-CB 3.38Å; R485-K489 PolarHBondContact O-N 2.78Å; L486-K489 HydrophobicContact CD1-CD 4.22Å; K489-H492 PolarHBondContact O-N 3.08Å; K489-R493 WeakPolarHBondContact O-CG 3.31Å; K489-R493 PolarHBondContact O-N 3.36Å
490	L	97.9	Very high	95.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.6	-48.7	178.8	-178.5	156.9	0	0	0	111.6	L441 A474 E475 V478 L486 H487 E488 H492 R493 Y494	L441-L490 HydrophobicContact CD1-CB 3.9Å; L441-L490 HydrophobicContact CD1-CD1 4.23Å; L441-L490 HydrophobicContact CD1-CG 4.32Å; L441-L490 HydrophobicContact CD2-CB 4.24Å; L441-L490 HydrophobicContact CD2-CG 4.33Å; A474-L490 HydrophobicContact CB-CD1 4.41Å; E475-L490 HydrophobicContact CB-CD1 4.4Å; E475-L490 HydrophobicContact CB-CD2 3.79Å; E475-L490 HydrophobicContact CG-CD2 3.79Å; V478-L490 HydrophobicContact CB-CD1 4.17Å; V478-L490 HydrophobicContact CG2-CD1 3.9Å; L486-L490 VanDerWaalsContact O-CB 3.24Å; L486-L490 WeakPolarHBondContact O-CB 3.24Å; L486-L490 PolarHBondContact O-N 2.91Å; H487-L490 PolarHBondContact O-N 3.35Å; E488-L490 VanDerWaalsContact C-N 3.3Å; E488-L490 PolarHBondContact O-N 3.2Å; L490-H492 VanDerWaalsContact C-N 3.27Å; L490-H492 PolarHBondContact O-N 2.92Å; L490-R493 PolarHBondContact O-N 3.02Å; L490-Y494 HydrophobicContact CD2-CD1 4.13Å; L490-Y494 HydrophobicContact CD2-CD2 3.87Å; L490-Y494 HydrophobicContact CD2-CE1 3.8Å; L490-Y494 HydrophobicContact CD2-CE2 3.53Å; L490-Y494 HydrophobicContact CD2-CG 4.15Å; L490-Y494 VanDerWaalsContact CD2-CZ 3.47Å; L490-Y494 HydrophobicContact CG-CD1 4.33Å; L490-Y494 HydrophobicContact CG-CE1 3.79Å; L490-Y494 HydrophobicContact CG-CE2 4.37Å; L490-Y494 WeakPolarHBondContact O-CD1 3.21Å; L490-Y494 PolarHBondContact O-N 2.89Å
491	L	97.6	Very high	94.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.2	-37.9	177	-68.9	166	0	0	0	112	H487 E488 Y494 S495 I514 I517 V526 E529 A530 T533	H487-L491 VanDerWaalsContact O-CG 3.25Å; H487-L491 WeakPolarHBondContact O-CG 3.41Å; H487-L491 PolarHBondContact O-N 3.07Å; E488-L491 PolarHBondContact O-N 2.97Å; L491-Y494 PolarHBondContact O-N 3.33Å; L491-S495 PolarHBondContact O-N 2.98Å; L491-I514 HydrophobicContact CD2-CD1 3.59Å; L491-I517 HydrophobicContact CD1-CG2 4.14Å; L491-I517 HydrophobicContact CD2-CD1 3.9Å; L491-V526 HydrophobicContact CD1-CG1 3.57Å; L491-E529 HydrophobicContact CB-CB 4.37Å; L491-E529 HydrophobicContact CB-CG 4.03Å; L491-A530 HydrophobicContact CD1-CB 4.15Å; L491-T533 PolarHBondContact O-OG1 3.05Å
492	H	96.9	Very high	94.6	Very high	71 Å²	71	52.4 Å²	52.4	33%	0.329	24%	0.238	S	C	.	.	H	α-helix	trans	-60.4	-55.1	174.5	-172.8	66.4	0	0	0	111.4	E488 K489 L490 Y494 S495 E529	E488-H492 WeakPolarHBondContact O-CB 3.34Å; E488-H492 PolarHBondContact O-N 3.13Å; K489-H492 PolarHBondContact O-N 3.08Å; L490-H492 VanDerWaalsContact C-N 3.27Å; L490-H492 PolarHBondContact O-N 2.92Å; H492-Y494 PolarHBondContact O-N 2.92Å; H492-S495 WeakPolarHBondContact O-CB 3.26Å; H492-S495 PolarHBondContact O-N 3.45Å; H492-S495 PolarHBondContact O-OG 2.86Å; H492-S495 VanDerWaalsContact O-OG 3.13Å; H492-E529 WeakPolarHBondContact CA-OE1 3.21Å; H492-E529 HydrophobicContact CB-CG 4Å; H492-E529 WeakPolarHBondContact CB-OE1 3.28Å; H492-E529 IonicContact CE1-OE1 3.41Å; H492-E529 IonicContact CG-OE1 2.71Å; H492-E529 IonicContact ND1-OE1 3.69Å; H492-E529 PolarHBondContact ND1-OE1 2.72Å
493	R	96.5	Very high	94.2	Very high	54 Å²	54	44.6 Å²	44.6	20%	0.204	20%	0.199	C	C	.	.	H	α-helix	trans	-57.3	-36.1	176.4	-70.8	-66.6	-173.5	-140.6	-0.6	111.9	L441 N442 D445 K489 L490 S495 C496	L441-R493 HydrophobicContact CD2-CB 4.15Å; L441-R493 HydrophobicContact CD2-CG 4.16Å; L441-R493 PolarHBondContact O-NE 3Å; N442-R493 PolarHBondContact O-NH2 3.14Å; D445-R493 IonicContact OD1-CZ 2.68Å; D445-R493 IonicContact OD1-NE 2.97Å; D445-R493 IonicContact OD1-NH1 2.72Å; D445-R493 WeakPolarHBondContact OD2-CD 3.38Å; D445-R493 IonicContact OD2-CZ 3.72Å; D445-R493 IonicContact OD2-NE 3.76Å; D445-R493 IonicContact OD2-NH1 3.13Å; D445-R493 PolarHBondContact OD2-NH1 3.39Å; K489-R493 WeakPolarHBondContact O-CG 3.31Å; K489-R493 PolarHBondContact O-N 3.36Å; L490-R493 PolarHBondContact O-N 3.02Å; R493-S495 PolarHBondContact O-N 3.41Å; R493-S495 VanDerWaalsContact O-N 3.12Å; R493-C496 WeakPolarHBondContact O-CB 3.24Å; R493-C496 PolarHBondContact O-N 2.98Å; R493-C496 PolarHBondContact O-SG 3.15Å
494	Y	95.8	Very high	93.8	Very high	2 Å²	2	42 Å²	42	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-66.3	-14.1	179.3	-77.7	21.7	0	0	0	113.6	L444 L471 E475 L490 L491 H492 C496 L497 F510 F537	L444-Y494 HydrophobicContact CD2-CD1 4.45Å; L444-Y494 HydrophobicContact CD2-CE1 3.94Å; L471-Y494 WeakPolarHBondContact CA-OH 3.4Å; L471-Y494 HydrophobicContact CB-CE2 4.36Å; L471-Y494 HydrophobicContact CD2-CE1 3.81Å; L471-Y494 PolarHBondContact O-OH 3.11Å; E475-Y494 HydrophobicContact CB-CE2 4.13Å; L490-Y494 HydrophobicContact CD2-CD1 4.13Å; L490-Y494 HydrophobicContact CD2-CD2 3.87Å; L490-Y494 HydrophobicContact CD2-CE1 3.8Å; L490-Y494 HydrophobicContact CD2-CE2 3.53Å; L490-Y494 HydrophobicContact CD2-CG 4.15Å; L490-Y494 VanDerWaalsContact CD2-CZ 3.47Å; L490-Y494 HydrophobicContact CG-CD1 4.33Å; L490-Y494 HydrophobicContact CG-CE1 3.79Å; L490-Y494 HydrophobicContact CG-CE2 4.37Å; L490-Y494 WeakPolarHBondContact O-CD1 3.21Å; L490-Y494 PolarHBondContact O-N 2.89Å; L491-Y494 PolarHBondContact O-N 3.33Å; H492-Y494 PolarHBondContact O-N 2.92Å; Y494-C496 PolarHBondContact O-N 3.09Å; Y494-L497 HydrophobicContact CD1-CD1 4.49Å; Y494-L497 HydrophobicContact CD2-CD1 4.2Å; Y494-L497 HydrophobicContact CG-CD1 3.99Å; Y494-L497 VanDerWaalsContact O-CB 3.32Å; Y494-L497 WeakPolarHBondContact O-CB 3.41Å; Y494-L497 WeakPolarHBondContact O-CG 3.43Å; Y494-L497 PolarHBondContact O-N 3.13Å; Y494-L497 VanDerWaalsContact O-N 3.17Å; Y494-F510 HydrophobicContact CD2-CD1 4.47Å; Y494-F510 HydrophobicContact CD2-CE1 4.36Å; Y494-F510 HydrophobicContact CE2-CE1 4.17Å; Y494-F537 WeakPolarHBondContact O-CE1 3.44Å
495	S	91.4	Very high	93.6	Very high	11 Å²	11	39.8 Å²	39.8	8%	0.077	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.7	168.3	-57.4	0	0	0	0	112.5	L491 H492 R493 L497 S498	L491-S495 PolarHBondContact O-N 2.98Å; H492-S495 WeakPolarHBondContact O-CB 3.26Å; H492-S495 PolarHBondContact O-N 3.45Å; H492-S495 PolarHBondContact O-OG 2.86Å; H492-S495 VanDerWaalsContact O-OG 3.13Å; R493-S495 PolarHBondContact O-N 3.41Å; R493-S495 VanDerWaalsContact O-N 3.12Å; S495-L497 VanDerWaalsContact C-N 3.25Å; S495-L497 PolarHBondContact O-N 3.05Å; S495-S498 WeakPolarHBondContact O-CB 3.43Å; S495-S498 PolarHBondContact O-N 3.3Å; S495-S498 PolarHBondContact O-OG 3.39Å
496	C	92.5	Very high	93.3	Very high	6 Å²	6	31.7 Å²	31.7	4%	0.041	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-31.7	176	82.1	0	0	0	0	112.5	D445 R493 Y494 S498 R499	D445-C496 HydrophobicContact CB-CB 4Å; R493-C496 WeakPolarHBondContact O-CB 3.24Å; R493-C496 PolarHBondContact O-N 2.98Å; R493-C496 PolarHBondContact O-SG 3.15Å; Y494-C496 PolarHBondContact O-N 3.09Å; C496-S498 PolarHBondContact O-N 2.97Å; C496-R499 WeakPolarHBondContact O-CB 3.22Å; C496-R499 PolarHBondContact O-N 2.67Å
497	L	93.4	Very high	93.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-56.9	-28.6	-176.7	-59.5	174.1	0	0	0	112.3	L448 L471 Y494 S495 R499 L500 L501 L506 F510 F537	L448-L497 HydrophobicContact CD1-CD2 3.84Å; L471-L497 HydrophobicContact CD1-CD2 4.19Å; Y494-L497 HydrophobicContact CD1-CD1 4.49Å; Y494-L497 HydrophobicContact CD2-CD1 4.2Å; Y494-L497 HydrophobicContact CG-CD1 3.99Å; Y494-L497 VanDerWaalsContact O-CB 3.32Å; Y494-L497 WeakPolarHBondContact O-CB 3.41Å; Y494-L497 WeakPolarHBondContact O-CG 3.43Å; Y494-L497 PolarHBondContact O-N 3.13Å; Y494-L497 VanDerWaalsContact O-N 3.17Å; S495-L497 VanDerWaalsContact C-N 3.25Å; S495-L497 PolarHBondContact O-N 3.05Å; L497-R499 PolarHBondContact O-N 3.1Å; L497-R499 VanDerWaalsContact O-N 3.17Å; L497-L500 PolarHBondContact O-N 2.99Å; L497-L501 HydrophobicContact CB-CD1 4.45Å; L497-L501 HydrophobicContact CD2-CD1 4.19Å; L497-L501 PolarHBondContact O-N 3.49Å; L497-L506 HydrophobicContact CB-CD2 3.81Å; L497-F510 HydrophobicContact CD1-CE1 4.27Å; L497-F510 HydrophobicContact CD1-CE2 4.25Å; L497-F510 HydrophobicContact CD1-CZ 4.07Å; L497-F537 HydrophobicContact CB-CE1 4.26Å; L497-F537 HydrophobicContact CB-CZ 4.46Å; L497-F537 HydrophobicContact CD1-CZ 4.46Å
498	S	91.3	Very high	92.9	Very high	16 Å²	16	38.4 Å²	38.4	11%	0.112	19%	0.188	C	C	.	.	H	α-helix	trans	-57.9	-22.6	173.3	67.5	0	0	0	0	115	S495 C496 T536	S495-S498 WeakPolarHBondContact O-CB 3.43Å; S495-S498 PolarHBondContact O-N 3.3Å; S495-S498 PolarHBondContact O-OG 3.39Å; C496-S498 PolarHBondContact O-N 2.97Å; S498-T536 WeakPolarHBondContact OG-CG2 3.48Å
499	R	88.8	Confident	92.7	Very high	117 Å²	117	37 Å²	37	44%	0.442	18%	0.184	S	C	.	.	H	α-helix	trans	-98	-15	176.6	-59.4	-173	-70.9	105.3	-3.2	113.2	E449 C496 L497	E449-R499 IonicContact OE1-CZ 3.28Å; E449-R499 IonicContact OE1-NH1 3.61Å; E449-R499 PolarHBondContact OE1-NH1 3.08Å; E449-R499 IonicContact OE1-NH2 2.79Å; E449-R499 PolarHBondContact OE1-NH2 3.11Å; C496-R499 WeakPolarHBondContact O-CB 3.22Å; C496-R499 PolarHBondContact O-N 2.67Å; L497-R499 PolarHBondContact O-N 3.1Å; L497-R499 VanDerWaalsContact O-N 3.17Å
500	L	88.8	Confident	92.6	Very high	43 Å²	43	34.9 Å²	34.9	23%	0.225	18%	0.175	C	C	.	.	H	α-helix	trans	-110	-30.5	-169.2	-49.6	-177	0	0	0	113.3	L448 E449 L452 L497	L448-L500 HydrophobicContact CB-CD1 3.77Å; E449-L500 HydrophobicContact CG-CD1 4.15Å; E449-L500 HydrophobicContact CG-CD2 3.53Å; E449-L500 HydrophobicContact CG-CG 4.47Å; L452-L500 HydrophobicContact CD1-CB 3.84Å; L452-L500 HydrophobicContact CD1-CD1 4.11Å; L497-L500 PolarHBondContact O-N 2.99Å
501	L	89.4	Confident	92.5	Very high	14 Å²	14	35.1 Å²	35.1	7%	0.073	18%	0.176	C	C	.	.	S	Bend	trans	-117.6	149.1	-175.1	-59.8	179.7	0	0	0	111.5	L452 L464 L468 L497 G503 L506 F510	L452-L501 HydrophobicContact CD1-CD2 3.95Å; L452-L501 HydrophobicContact CD1-CG 4.5Å; L452-L501 HydrophobicContact CD2-CD2 4.46Å; L464-L501 HydrophobicContact CD1-CD2 3.92Å; L464-L501 HydrophobicContact CD2-CD2 4.37Å; L468-L501 HydrophobicContact CD2-CD1 3.65Å; L497-L501 HydrophobicContact CB-CD1 4.45Å; L497-L501 HydrophobicContact CD2-CD1 4.19Å; L497-L501 PolarHBondContact O-N 3.49Å; L501-G503 PolarHBondContact O-N 3.32Å; L501-L506 HydrophobicContact CB-CD1 4.47Å; L501-L506 HydrophobicContact CB-CD2 3.92Å; L501-L506 HydrophobicContact CB-CG 4.06Å; L501-L506 HydrophobicContact CD1-CD2 3.87Å; L501-L506 HydrophobicContact CG-CD2 4.45Å; L501-F510 HydrophobicContact CD1-CE2 4.47Å
502	P	88.4	Confident	92.4	Very high	87 Å²	87	37.8 Å²	37.8	57%	0.565	20%	0.198	S	C	*	.			trans	-57.3	135.2	172.1	-24.4	34.5	0	0	0	111.9	E504 L505 L506	P502-E504 PolarHBondContact O-N 3.39Å; P502-E504 VanDerWaalsContact O-N 3.11Å; P502-L505 HydrophobicContact CB-CB 4.48Å; P502-L505 WeakPolarHBondContact O-CB 3.25Å; P502-L505 PolarHBondContact O-N 3.1Å; P502-L506 PolarHBondContact O-N 3.21Å
503	G	86.3	Confident	92.4	Very high	10 Å²	10	38.1 Å²	38.1	10%	0.103	20%	0.196	C	C	.	.	H	α-helix	trans	-58.5	-27.7	-177.2	0	0	0	0	0	115.2	L501 L506 H507	L501-G503 PolarHBondContact O-N 3.32Å; G503-L506 PolarHBondContact O-N 3.48Å; G503-H507 WeakPolarHBondContact O-CB 3.41Å; G503-H507 PolarHBondContact O-N 2.81Å
504	E	88.3	Confident	92.5	Very high	69 Å²	69	35.6 Å²	35.6	32%	0.322	19%	0.187	S	C	.	.	H	α-helix	trans	-64.9	-40.4	172.1	169.6	155.5	-120.9	0	0	112.6	P502 H507 Q508 K543 Q546	P502-E504 PolarHBondContact O-N 3.39Å; P502-E504 VanDerWaalsContact O-N 3.11Å; E504-H507 WeakPolarHBondContact O-CB 3.38Å; E504-H507 PolarHBondContact O-N 2.77Å; E504-Q508 WeakPolarHBondContact O-CB 3.06Å; E504-Q508 VanDerWaalsContact O-CG 3.3Å; E504-Q508 WeakPolarHBondContact O-CG 3.43Å; E504-Q508 PolarHBondContact O-N 3.21Å; E504-K543 IonicContact OE1-NZ 2.81Å; E504-K543 PolarHBondContact OE1-NZ 3.12Å; E504-K543 WeakPolarHBondContact OE2-CE 3.26Å; E504-K543 IonicContact OE2-NZ 3.63Å; E504-K543 PolarHBondContact OE2-NZ 3.16Å; E504-Q546 PolarHBondContact OE1-NE2 3.21Å
505	L	91.2	Very high	92.6	Very high	41 Å²	41	36.2 Å²	36.2	22%	0.215	19%	0.19	C	C	.	.	H	α-helix	trans	-68.6	-40	177.7	-170.2	58.1	0	0	0	110.5	L464 L468 P502 H507 Q508 T509	L464-L505 HydrophobicContact CD2-CD2 3.84Å; L468-L505 HydrophobicContact CD1-CD1 3.77Å; L468-L505 HydrophobicContact CD1-CD2 3.92Å; L468-L505 HydrophobicContact CD1-CG 3.75Å; P502-L505 HydrophobicContact CB-CB 4.48Å; P502-L505 WeakPolarHBondContact O-CB 3.25Å; P502-L505 PolarHBondContact O-N 3.1Å; L505-H507 VanDerWaalsContact C-N 3.31Å; L505-H507 PolarHBondContact O-N 3.26Å; L505-Q508 PolarHBondContact O-N 3.32Å; L505-T509 VanDerWaalsContact O-CB 3.25Å; L505-T509 WeakPolarHBondContact O-CB 3.42Å; L505-T509 PolarHBondContact O-N 2.98Å; L505-T509 PolarHBondContact O-OG1 2.83Å
506	L	92.9	Very high	92.8	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-64	-34.5	172.7	-62.2	175.3	0	0	0	113	L497 L501 P502 G503 F510 S511 F537	L497-L506 HydrophobicContact CB-CD2 3.81Å; L501-L506 HydrophobicContact CB-CD1 4.47Å; L501-L506 HydrophobicContact CB-CD2 3.92Å; L501-L506 HydrophobicContact CB-CG 4.06Å; L501-L506 HydrophobicContact CD1-CD2 3.87Å; L501-L506 HydrophobicContact CG-CD2 4.45Å; P502-L506 PolarHBondContact O-N 3.21Å; G503-L506 PolarHBondContact O-N 3.48Å; L506-F510 HydrophobicContact CD2-CD2 4Å; L506-F510 HydrophobicContact CD2-CE2 4.41Å; L506-F510 PolarHBondContact O-N 3.24Å; L506-F510 VanDerWaalsContact O-N 3.13Å; L506-S511 PolarHBondContact O-N 3Å; L506-S511 PolarHBondContact O-OG 2.91Å; L506-F537 HydrophobicContact CB-CG 4.47Å; L506-F537 HydrophobicContact CD1-CD1 4.1Å; L506-F537 HydrophobicContact CD1-CE1 4.33Å; L506-F537 HydrophobicContact CD2-CE1 4.36Å; L506-F537 HydrophobicContact CD2-CZ 4.38Å
507	H	94.1	Very high	93	Very high	26 Å²	26	39.4 Å²	39.4	12%	0.12	21%	0.205	C	C	.	.	I	π-helix	trans	-68.2	-50.9	174.6	176.2	83.7	0	0	0	111.4	G503 E504 L505 S511 Q546 E549 M550	G503-H507 WeakPolarHBondContact O-CB 3.41Å; G503-H507 PolarHBondContact O-N 2.81Å; E504-H507 WeakPolarHBondContact O-CB 3.38Å; E504-H507 PolarHBondContact O-N 2.77Å; L505-H507 VanDerWaalsContact C-N 3.31Å; L505-H507 PolarHBondContact O-N 3.26Å; H507-S511 WeakPolarHBondContact CA-OG 3.46Å; H507-Q546 VanDerWaalsContact CD2-CD 3.44Å; H507-E549 IonicContact CE1-OE2 2.7Å; H507-E549 IonicContact NE2-OE2 3.93Å; H507-M550 PolarHBondContact ND1-SD 2.88Å; H507-M550 VanDerWaalsContact ND1-SD 3.42Å
508	Q	93.4	Very high	93.2	Very high	125 Å²	125	39.6 Å²	39.6	58%	0.584	21%	0.205	S	C	*	.	I	π-helix	trans	-65.6	-42	-179.7	-69.5	172.6	7.7	0	0	113.2	E504 L505	E504-Q508 WeakPolarHBondContact O-CB 3.06Å; E504-Q508 VanDerWaalsContact O-CG 3.3Å; E504-Q508 WeakPolarHBondContact O-CG 3.43Å; E504-Q508 PolarHBondContact O-N 3.21Å; L505-Q508 PolarHBondContact O-N 3.32Å
509	T	94.3	Very high	93.3	Very high	37 Å²	37	40 Å²	40	23%	0.227	21%	0.208	C	C	.	.	I	π-helix	trans	-91.9	-49.6	-171.6	-56.2	0	0	0	0	113.7	L468 L472 L505	L468-T509 HydrophobicContact CB-CG2 4.2Å; L468-T509 HydrophobicContact CD1-CG2 4.16Å; L472-T509 HydrophobicContact CD1-CG2 3.66Å; L472-T509 HydrophobicContact CG-CG2 4.2Å; L505-T509 VanDerWaalsContact O-CB 3.25Å; L505-T509 WeakPolarHBondContact O-CB 3.42Å; L505-T509 PolarHBondContact O-N 2.98Å; L505-T509 PolarHBondContact O-OG1 2.83Å
510	F	96.4	Very high	93.5	Very high	2 Å²	2	39 Å²	39	1%	0.009	21%	0.214	C	C	.	.	I	π-helix	trans	-105.4	-35.8	-168.1	-66.3	-86.9	0	0	0	114.1	L468 L471 L472 Y494 L497 L501 L506 A512 R513 I514 F537	L468-F510 HydrophobicContact CD2-CE2 4.08Å; L468-F510 HydrophobicContact CD2-CZ 4.34Å; L471-F510 HydrophobicContact CB-CE1 4.03Å; L471-F510 HydrophobicContact CB-CZ 3.98Å; L471-F510 HydrophobicContact CD1-CZ 4.2Å; L472-F510 HydrophobicContact CD2-CD1 3.63Å; L472-F510 HydrophobicContact CD2-CE1 3.76Å; L472-F510 HydrophobicContact CD2-CG 4.45Å; L472-F510 HydrophobicContact CG-CD1 4.37Å; L472-F510 HydrophobicContact CG-CE1 4.04Å; Y494-F510 HydrophobicContact CD2-CD1 4.47Å; Y494-F510 HydrophobicContact CD2-CE1 4.36Å; Y494-F510 HydrophobicContact CE2-CE1 4.17Å; L497-F510 HydrophobicContact CD1-CE1 4.27Å; L497-F510 HydrophobicContact CD1-CE2 4.25Å; L497-F510 HydrophobicContact CD1-CZ 4.07Å; L501-F510 HydrophobicContact CD1-CE2 4.47Å; L506-F510 HydrophobicContact CD2-CD2 4Å; L506-F510 HydrophobicContact CD2-CE2 4.41Å; L506-F510 PolarHBondContact O-N 3.24Å; L506-F510 VanDerWaalsContact O-N 3.13Å; F510-A512 VanDerWaalsContact C-N 3.33Å; F510-A512 PolarHBondContact O-N 2.99Å; F510-R513 WeakPolarHBondContact O-CA 3.45Å; F510-R513 WeakPolarHBondContact O-CB 3.49Å; F510-R513 PolarHBondContact O-N 3.24Å; F510-I514 HydrophobicContact CB-CG1 4.45Å; F510-I514 WeakPolarHBondContact O-CG1 3.36Å; F510-I514 PolarHBondContact O-N 2.93Å; F510-F537 HydrophobicContact CB-CD2 4.42Å; F510-F537 HydrophobicContact CB-CE2 3.69Å; F510-F537 HydrophobicContact CB-CZ 4.46Å; F510-F537 HydrophobicContact CG-CE2 4.46Å
511	S	95.1	Very high	93.7	Very high	5 Å²	5	38.4 Å²	38.4	4%	0.035	21%	0.212	C	C	.	.	I	π-helix	trans	-61.3	-38.7	-164.5	-66.6	0	0	0	0	113.5	L506 H507 R513 F515 F534	L506-S511 PolarHBondContact O-N 3Å; L506-S511 PolarHBondContact O-OG 2.91Å; H507-S511 WeakPolarHBondContact CA-OG 3.46Å; S511-R513 PolarHBondContact O-N 3.26Å; S511-F515 WeakPolarHBondContact O-CB 3.48Å; S511-F515 PolarHBondContact O-N 3.42Å; S511-F534 WeakPolarHBondContact O-CE2 3Å
512	A	96.1	Very high	93.9	Very high	55 Å²	55	47.3 Å²	47.3	46%	0.455	25%	0.25	S	C	.	.	H	α-helix	trans	-62.3	-40.6	172.5	0	0	0	0	0	112.6	F510 F515 I516	F510-A512 VanDerWaalsContact C-N 3.33Å; F510-A512 PolarHBondContact O-N 2.99Å; A512-F515 PolarHBondContact O-N 2.93Å; A512-I516 WeakPolarHBondContact O-CG1 3.17Å; A512-I516 PolarHBondContact O-N 3Å
513	R	96.5	Very high	94.2	Very high	78 Å²	78	45.2 Å²	45.2	29%	0.294	24%	0.235	S	C	.	.	H	α-helix	trans	-68.7	-45.5	179.6	-178.4	59.3	-177.9	164.1	11.3	111.9	L472 E475 F510 S511 F515 I516 I517	L472-R513 HydrophobicContact CD2-CB 4.43Å; L472-R513 HydrophobicContact CD2-CG 4.35Å; E475-R513 VanDerWaalsContact CD-NH2 3.31Å; E475-R513 IonicContact OE1-CZ 2.88Å; E475-R513 IonicContact OE1-NE 2.76Å; E475-R513 IonicContact OE1-NH2 3.71Å; E475-R513 PolarHBondContact OE1-NH2 3.24Å; E475-R513 IonicContact OE2-CZ 2.66Å; E475-R513 IonicContact OE2-NE 3.67Å; E475-R513 PolarHBondContact OE2-NE 3.39Å; E475-R513 IonicContact OE2-NH2 2.78Å; E475-R513 PolarHBondContact OE2-NH2 3.21Å; F510-R513 WeakPolarHBondContact O-CA 3.45Å; F510-R513 WeakPolarHBondContact O-CB 3.49Å; F510-R513 PolarHBondContact O-N 3.24Å; S511-R513 PolarHBondContact O-N 3.26Å; R513-F515 VanDerWaalsContact C-N 3.28Å; R513-F515 PolarHBondContact O-N 3.45Å; R513-I516 WeakPolarHBondContact O-CB 3.4Å; R513-I516 PolarHBondContact O-N 3.32Å; R513-I517 HydrophobicContact CG-CD1 4.48Å; R513-I517 WeakPolarHBondContact O-CG1 3.17Å; R513-I517 PolarHBondContact O-N 2.94Å; R513-I517 VanDerWaalsContact O-N 3.08Å
514	I	97.8	Very high	94.6	Very high	2 Å²	2	49 Å²	49	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-39.9	175.1	-55	-60.2	0	0	0	110.9	L491 F510 I516 I517 L518 A530 T533 F534 F537	L491-I514 HydrophobicContact CD2-CD1 3.59Å; F510-I514 HydrophobicContact CB-CG1 4.45Å; F510-I514 WeakPolarHBondContact O-CG1 3.36Å; F510-I514 PolarHBondContact O-N 2.93Å; I514-I516 VanDerWaalsContact C-N 3.35Å; I514-I516 PolarHBondContact O-N 3.35Å; I514-I517 HydrophobicContact CD1-CD1 4.34Å; I514-I517 PolarHBondContact O-N 3.16Å; I514-L518 PolarHBondContact O-N 2.94Å; I514-A530 HydrophobicContact CG2-CB 4.14Å; I514-A530 WeakPolarHBondContact CG2-O 3.46Å; I514-T533 HydrophobicContact CD1-CG2 4.3Å; I514-T533 HydrophobicContact CG1-CG2 4.45Å; I514-F534 HydrophobicContact CG2-CB 3.87Å; I514-F537 HydrophobicContact CG1-CD2 4.49Å; I514-F537 HydrophobicContact CG1-CE2 3.96Å
515	F	97.4	Very high	95	Very high	14 Å²	14	47.9 Å²	47.9	6%	0.061	25%	0.251	C	S	.	.	H	α-helix	trans	-64.2	-36.9	176.5	-164.6	-97.5	0	0	0	113.1	S511 A512 R513 L518 T519 F534 R553 L554 D557	S511-F515 WeakPolarHBondContact O-CB 3.48Å; S511-F515 PolarHBondContact O-N 3.42Å; A512-F515 PolarHBondContact O-N 2.93Å; R513-F515 VanDerWaalsContact C-N 3.28Å; R513-F515 PolarHBondContact O-N 3.45Å; F515-L518 PolarHBondContact O-N 3.28Å; F515-T519 HydrophobicContact CD1-CG2 4.15Å; F515-T519 HydrophobicContact CE1-CG2 3.83Å; F515-T519 HydrophobicContact CZ-CG2 4.23Å; F515-T519 WeakPolarHBondContact O-CB 3.32Å; F515-T519 WeakPolarHBondContact O-CG2 3.44Å; F515-T519 PolarHBondContact O-N 3.18Å; F515-T519 PolarHBondContact O-OG1 2.72Å; F515-F534 HydrophobicContact CB-CD2 4.13Å; F515-F534 HydrophobicContact CB-CE2 3.85Å; F515-F534 HydrophobicContact CD2-CD2 4.19Å; F515-F534 HydrophobicContact CD2-CE1 4.18Å; F515-F534 AromaticContact CD2-CE2 3.72Å; F515-F534 HydrophobicContact CD2-CE2 3.72Å; F515-F534 AromaticContact CD2-CZ 3.71Å; F515-F534 HydrophobicContact CD2-CZ 3.71Å; F515-F534 HydrophobicContact CE2-CZ 4.34Å; F515-F534 HydrophobicContact CG-CE2 4.22Å; F515-R553 HydrophobicContact CE1-CB 4.33Å; F515-R553 HydrophobicContact CE2-CB 3.91Å; F515-R553 HydrophobicContact CZ-CB 3.73Å; F515-R553 HydrophobicContact CZ-CG 4.43Å; F515-L554 HydrophobicContact CE2-CD2 3.93Å; F515-L554 HydrophobicContact CE2-CG 4.41Å; F515-D557 HydrophobicContact CE1-CB 4.09Å; F515-D557 WeakPolarHBondContact CE1-OD2 3.3Å; F515-D557 HydrophobicContact CZ-CB 3.92Å
516	I	96.6	Very high	95.3	Very high	79 Å²	79	45.9 Å²	45.9	41%	0.405	24%	0.241	S	C	.	.	H	α-helix	trans	-63.2	-42.5	172.1	-70.4	163.4	0	0	0	110.8	A512 R513 I514 T519 T520	A512-I516 WeakPolarHBondContact O-CG1 3.17Å; A512-I516 PolarHBondContact O-N 3Å; R513-I516 WeakPolarHBondContact O-CB 3.4Å; R513-I516 PolarHBondContact O-N 3.32Å; I514-I516 VanDerWaalsContact C-N 3.35Å; I514-I516 PolarHBondContact O-N 3.35Å; I516-T519 WeakPolarHBondContact CA-OG1 3.34Å; I516-T519 PolarHBondContact O-N 3.3Å; I516-T519 PolarHBondContact O-OG1 3.29Å; I516-T520 HydrophobicContact CG2-CG2 4.28Å; I516-T520 WeakPolarHBondContact O-CB 3.32Å; I516-T520 PolarHBondContact O-N 2.87Å; I516-T520 PolarHBondContact O-OG1 3.45Å
517	I	97.1	Very high	95.4	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-63.2	-47.6	177.9	-59.2	161.8	0	0	0	110.4	E475 L491 R513 I514 T519 N521 V526 A530	E475-I517 HydrophobicContact CG-CD1 4.03Å; E475-I517 WeakPolarHBondContact OE1-CD1 3.45Å; L491-I517 HydrophobicContact CD1-CG2 4.14Å; L491-I517 HydrophobicContact CD2-CD1 3.9Å; R513-I517 HydrophobicContact CG-CD1 4.48Å; R513-I517 WeakPolarHBondContact O-CG1 3.17Å; R513-I517 PolarHBondContact O-N 2.94Å; R513-I517 VanDerWaalsContact O-N 3.08Å; I514-I517 HydrophobicContact CD1-CD1 4.34Å; I514-I517 PolarHBondContact O-N 3.16Å; I517-T519 VanDerWaalsContact C-N 3.34Å; I517-T519 PolarHBondContact O-N 2.86Å; I517-N521 HydrophobicContact CG2-CB 4.2Å; I517-N521 WeakPolarHBondContact O-CB 3.46Å; I517-N521 PolarHBondContact O-N 3.43Å; I517-V526 HydrophobicContact CG2-CG1 3.96Å; I517-A530 HydrophobicContact CB-CB 4.18Å; I517-A530 HydrophobicContact CG2-CB 3.93Å
518	L	96.3	Very high	95.6	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-54	-47.4	175.1	171.5	56.2	0	0	0	112.1	I514 F515 Q527 A530 A531 L554 L558 R569 V573	I514-L518 PolarHBondContact O-N 2.94Å; F515-L518 PolarHBondContact O-N 3.28Å; L518-Q527 WeakPolarHBondContact CD1-O 3.26Å; L518-Q527 PolarHBondContact O-NE2 3.17Å; L518-A530 HydrophobicContact CB-CB 4.04Å; L518-A531 HydrophobicContact CD1-CB 3.85Å; L518-A531 HydrophobicContact CD2-CB 4.3Å; L518-L554 HydrophobicContact CD2-CD2 4.4Å; L518-L558 HydrophobicContact CD2-CD1 4.01Å; L518-R569 PolarHBondContact O-NE 3.11Å; L518-V573 HydrophobicContact CD1-CG2 4.39Å; L518-V573 HydrophobicContact CD2-CG2 4.1Å
519	T	94.4	Very high	95.8	Very high	26 Å²	26	43.2 Å²	43.2	16%	0.16	23%	0.227	C	C	.	.	H	α-helix	trans	-79.3	-36.7	-175.6	48.2	0	0	0	0	114.4	F515 I516 I517 L558 R569	F515-T519 HydrophobicContact CD1-CG2 4.15Å; F515-T519 HydrophobicContact CE1-CG2 3.83Å; F515-T519 HydrophobicContact CZ-CG2 4.23Å; F515-T519 WeakPolarHBondContact O-CB 3.32Å; F515-T519 WeakPolarHBondContact O-CG2 3.44Å; F515-T519 PolarHBondContact O-N 3.18Å; F515-T519 PolarHBondContact O-OG1 2.72Å; I516-T519 WeakPolarHBondContact CA-OG1 3.34Å; I516-T519 PolarHBondContact O-N 3.3Å; I516-T519 PolarHBondContact O-OG1 3.29Å; I517-T519 VanDerWaalsContact C-N 3.34Å; I517-T519 PolarHBondContact O-N 2.86Å; T519-L558 HydrophobicContact CG2-CD2 3.7Å; T519-R569 PolarHBondContact O-NH1 3.02Å; T519-R569 VanDerWaalsContact O-NH1 3.1Å
520	T	92.8	Very high	96	Very high	95 Å²	95	41.5 Å²	41.5	58%	0.583	22%	0.217	S	C	*	.	H	α-helix	trans	-110.1	-19	-166.5	69.6	0	0	0	0	115.6	I516	I516-T520 HydrophobicContact CG2-CG2 4.28Å; I516-T520 WeakPolarHBondContact O-CB 3.32Å; I516-T520 PolarHBondContact O-N 2.87Å; I516-T520 PolarHBondContact O-OG1 3.45Å
521	N	93.5	Very high	96	Very high	31 Å²	31	41.4 Å²	41.4	17%	0.166	22%	0.217	C	C	.	.			trans	-64.8	156.2	177.8	-159.6	-46.9	0	0	0	110.6	H487 I517 V523 V526 Q527	H487-N521 PolarHBondContact ND1-ND2 2.78Å; I517-N521 HydrophobicContact CG2-CB 4.2Å; I517-N521 WeakPolarHBondContact O-CB 3.46Å; I517-N521 PolarHBondContact O-N 3.43Å; N521-V523 PolarHBondContact OD1-N 3.21Å; N521-V526 WeakPolarHBondContact ND2-CG1 3.32Å; N521-Q527 HydrophobicContact CB-CG 3.97Å; N521-Q527 PolarHBondContact O-NE2 3.39Å; N521-Q527 PolarHBondContact O-OE1 3.32Å
522	K	92.2	Very high	96.2	Very high	201 Å²	201	44.4 Å²	44.4	87%	0.874	23%	0.227	S	C	*	.	S	Bend	trans	-103.7	-9.6	-179.3	-63.3	-179.7	-178.7	176	0	113.2
523	V	95.9	Very high	96.2	Very high	43 Å²	43	41.8 Å²	41.8	26%	0.261	21%	0.206	S	C	.	.			trans	-101.5	110.3	-176.3	-177.5	0	0	0	0	110.3	W484 N521 P525 V526 Q527	W484-V523 HydrophobicContact CB-CB 4.29Å; W484-V523 HydrophobicContact CB-CG1 3.88Å; W484-V523 HydrophobicContact CB-CG2 4.03Å; W484-V523 HydrophobicContact CD2-CG1 3.75Å; W484-V523 HydrophobicContact CE3-CG1 3.8Å; W484-V523 HydrophobicContact CG-CG1 3.82Å; W484-V523 HydrophobicContact CG-CG2 4.4Å; N521-V523 PolarHBondContact OD1-N 3.21Å; V523-P525 HydrophobicContact CG1-CG 4.48Å; V523-V526 HydrophobicContact CB-CB 4.34Å; V523-V526 HydrophobicContact CB-CG2 4Å; V523-V526 HydrophobicContact CG1-CG2 3.9Å; V523-V526 WeakPolarHBondContact O-CB 3.31Å; V523-V526 PolarHBondContact O-N 2.88Å; V523-V526 VanDerWaalsContact O-N 3.12Å; V523-Q527 PolarHBondContact O-N 3.29Å; V523-Q527 VanDerWaalsContact O-N 3.09Å
524	L	93.4	Very high	96.3	Very high	89 Å²	89	38.2 Å²	38.2	47%	0.466	19%	0.192	S	C	.	.	H	α-helix	trans	-56.7	-43.7	-171.7	-179.9	63.9	0	0	0	114.7	V526 Q527 K528	L524-V526 PolarHBondContact O-N 3.42Å; L524-Q527 WeakPolarHBondContact O-CB 3.13Å; L524-Q527 PolarHBondContact O-N 2.86Å; L524-Q527 VanDerWaalsContact O-N 3.11Å; L524-K528 HydrophobicContact CD1-CG 4.3Å; L524-K528 PolarHBondContact O-N 2.93Å
525	P	97	Very high	96.3	Very high	45 Å²	45	38.1 Å²	38.1	29%	0.292	19%	0.191	S	C	.	.	H	α-helix	trans	-54.3	-46.7	173.4	-28	33.5	0	0	0	113.6	W484 E488 V523 Q527 K528 E529	W484-P525 HydrophobicContact CE3-CB 4.27Å; W484-P525 HydrophobicContact CE3-CG 4.43Å; W484-P525 HydrophobicContact CH2-CG 4.21Å; W484-P525 HydrophobicContact CZ3-CB 3.75Å; W484-P525 HydrophobicContact CZ3-CG 3.76Å; E488-P525 VanDerWaalsContact OE1-CB 3.28Å; E488-P525 WeakPolarHBondContact OE1-CB 3.42Å; V523-P525 HydrophobicContact CG1-CG 4.48Å; P525-Q527 VanDerWaalsContact C-N 3.28Å; P525-Q527 PolarHBondContact O-N 3.17Å; P525-K528 PolarHBondContact O-N 3.41Å; P525-K528 VanDerWaalsContact O-N 3.14Å; P525-E529 PolarHBondContact O-N 3.28Å
526	V	97.9	Very high	96.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.5	-35.2	176.7	-174.8	0	0	0	0	111.6	W484 H487 E488 L491 I517 N521 V523 L524 A530	W484-V526 HydrophobicContact CB-CG2 4.03Å; W484-V526 HydrophobicContact CE3-CG2 4.37Å; W484-V526 WeakPolarHBondContact O-CG2 3.32Å; H487-V526 HydrophobicContact CB-CG1 4.09Å; H487-V526 HydrophobicContact CB-CG2 4.17Å; H487-V526 WeakPolarHBondContact ND1-CG1 3.38Å; E488-V526 HydrophobicContact CB-CG2 4.29Å; L491-V526 HydrophobicContact CD1-CG1 3.57Å; I517-V526 HydrophobicContact CG2-CG1 3.96Å; N521-V526 WeakPolarHBondContact ND2-CG1 3.32Å; V523-V526 HydrophobicContact CB-CB 4.34Å; V523-V526 HydrophobicContact CB-CG2 4Å; V523-V526 HydrophobicContact CG1-CG2 3.9Å; V523-V526 WeakPolarHBondContact O-CB 3.31Å; V523-V526 PolarHBondContact O-N 2.88Å; V523-V526 VanDerWaalsContact O-N 3.12Å; L524-V526 PolarHBondContact O-N 3.42Å; V526-A530 VanDerWaalsContact O-CB 3.29Å; V526-A530 WeakPolarHBondContact O-CB 3.3Å; V526-A530 PolarHBondContact O-N 3.32Å
527	Q	96.1	Very high	96.2	Very high	14 Å²	14	34.8 Å²	34.8	7%	0.065	18%	0.176	C	C	.	.	H	α-helix	trans	-70.3	-39.6	174.8	-63.1	-172.1	-76.6	0	0	112.5	L518 N521 V523 L524 P525 A530 A531 R569	L518-Q527 WeakPolarHBondContact CD1-O 3.26Å; L518-Q527 PolarHBondContact O-NE2 3.17Å; N521-Q527 HydrophobicContact CB-CG 3.97Å; N521-Q527 PolarHBondContact O-NE2 3.39Å; N521-Q527 PolarHBondContact O-OE1 3.32Å; V523-Q527 PolarHBondContact O-N 3.29Å; V523-Q527 VanDerWaalsContact O-N 3.09Å; L524-Q527 WeakPolarHBondContact O-CB 3.13Å; L524-Q527 PolarHBondContact O-N 2.86Å; L524-Q527 VanDerWaalsContact O-N 3.11Å; P525-Q527 VanDerWaalsContact C-N 3.28Å; P525-Q527 PolarHBondContact O-N 3.17Å; Q527-A530 PolarHBondContact O-N 3.31Å; Q527-A531 PolarHBondContact O-N 3.02Å; Q527-R569 VanDerWaalsContact NE2-CZ 3.27Å
528	K	96.5	Very high	96.1	Very high	64 Å²	64	34.5 Å²	34.5	28%	0.278	17%	0.174	S	C	.	.	H	α-helix	trans	-64.4	-42.9	174.9	-73.1	-162	172.5	-139.8	0	111.3	L524 P525 A531 R532 D572 E575 I576	L524-K528 HydrophobicContact CD1-CG 4.3Å; L524-K528 PolarHBondContact O-N 2.93Å; P525-K528 PolarHBondContact O-N 3.41Å; P525-K528 VanDerWaalsContact O-N 3.14Å; K528-A531 WeakPolarHBondContact O-CB 3.44Å; K528-A531 PolarHBondContact O-N 3.12Å; K528-R532 PolarHBondContact O-N 2.72Å; K528-D572 WeakPolarHBondContact CE-OD1 3.15Å; K528-D572 IonicContact NZ-OD1 2.71Å; K528-D572 PolarHBondContact NZ-OD1 3.49Å; K528-E575 IonicContact NZ-OE2 3.62Å; K528-I576 HydrophobicContact CB-CD1 4.22Å; K528-I576 VanDerWaalsContact O-CD1 3.26Å; K528-I576 WeakPolarHBondContact O-CD1 3.31Å
529	E	98.1	Very high	95.9	Very high	19 Å²	19	35.8 Å²	35.8	9%	0.089	18%	0.179	C	C	.	.	H	α-helix	trans	-72	-36.1	177.9	-160.2	58.3	-166.2	0	0	112.1	E488 L491 H492 P525 A531 R532 T533	E488-E529 HydrophobicContact CG-CB 4.35Å; L491-E529 HydrophobicContact CB-CB 4.37Å; L491-E529 HydrophobicContact CB-CG 4.03Å; H492-E529 WeakPolarHBondContact CA-OE1 3.21Å; H492-E529 HydrophobicContact CB-CG 4Å; H492-E529 WeakPolarHBondContact CB-OE1 3.28Å; H492-E529 IonicContact CE1-OE1 3.41Å; H492-E529 IonicContact CG-OE1 2.71Å; H492-E529 IonicContact ND1-OE1 3.69Å; H492-E529 PolarHBondContact ND1-OE1 2.72Å; P525-E529 PolarHBondContact O-N 3.28Å; E529-A531 VanDerWaalsContact C-N 3.28Å; E529-A531 PolarHBondContact O-N 2.96Å; E529-R532 CarbonylContact O-C 3.57Å; E529-R532 WeakPolarHBondContact O-CA 3.37Å; E529-R532 WeakPolarHBondContact O-CB 3.48Å; E529-R532 PolarHBondContact O-N 3.13Å; E529-R532 WeakPolarHBondContact OE1-CD 3.24Å; E529-R532 VanDerWaalsContact OE2-CD 3.31Å; E529-R532 WeakPolarHBondContact OE2-CD 3.37Å; E529-R532 IonicContact OE2-NE 2.84Å; E529-R532 PolarHBondContact OE2-NE 2.94Å; E529-T533 PolarHBondContact O-N 3.25Å; E529-T533 PolarHBondContact O-OG1 3.34Å
530	A	98.1	Very high	95.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.5	-37.9	169.2	0	0	0	0	0	112.6	L491 I514 I517 L518 V526 Q527 F534	L491-A530 HydrophobicContact CD1-CB 4.15Å; I514-A530 HydrophobicContact CG2-CB 4.14Å; I514-A530 WeakPolarHBondContact CG2-O 3.46Å; I517-A530 HydrophobicContact CB-CB 4.18Å; I517-A530 HydrophobicContact CG2-CB 3.93Å; L518-A530 HydrophobicContact CB-CB 4.04Å; V526-A530 VanDerWaalsContact O-CB 3.29Å; V526-A530 WeakPolarHBondContact O-CB 3.3Å; V526-A530 PolarHBondContact O-N 3.32Å; Q527-A530 PolarHBondContact O-N 3.31Å; A530-F534 VanDerWaalsContact O-CB 3.27Å; A530-F534 WeakPolarHBondContact O-CB 3.36Å; A530-F534 PolarHBondContact O-N 3.04Å
531	A	97.9	Very high	95.6	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-64	-40.1	171.1	0	0	0	0	0	112.3	L518 Q527 K528 E529 C535 V573 I576	L518-A531 HydrophobicContact CD1-CB 3.85Å; L518-A531 HydrophobicContact CD2-CB 4.3Å; Q527-A531 PolarHBondContact O-N 3.02Å; K528-A531 WeakPolarHBondContact O-CB 3.44Å; K528-A531 PolarHBondContact O-N 3.12Å; E529-A531 VanDerWaalsContact C-N 3.28Å; E529-A531 PolarHBondContact O-N 2.96Å; A531-C535 VanDerWaalsContact O-CB 3.27Å; A531-C535 WeakPolarHBondContact O-CB 3.38Å; A531-C535 PolarHBondContact O-N 3.01Å; A531-C535 PolarHBondContact O-SG 3.47Å; A531-V573 HydrophobicContact CB-CG2 3.67Å; A531-I576 HydrophobicContact CB-CD1 3.73Å
532	R	98.1	Very high	95.2	Very high	68 Å²	68	36.7 Å²	36.7	26%	0.257	17%	0.167	S	C	.	.	H	α-helix	trans	-63.5	-48.7	175.9	-168.6	178.1	-62.1	-77.6	0.2	111.7	K528 E529 C535 T536 I576 E579 I580	K528-R532 PolarHBondContact O-N 2.72Å; E529-R532 CarbonylContact O-C 3.57Å; E529-R532 WeakPolarHBondContact O-CA 3.37Å; E529-R532 WeakPolarHBondContact O-CB 3.48Å; E529-R532 PolarHBondContact O-N 3.13Å; E529-R532 WeakPolarHBondContact OE1-CD 3.24Å; E529-R532 VanDerWaalsContact OE2-CD 3.31Å; E529-R532 WeakPolarHBondContact OE2-CD 3.37Å; E529-R532 IonicContact OE2-NE 2.84Å; E529-R532 PolarHBondContact OE2-NE 2.94Å; R532-C535 PolarHBondContact O-N 3.39Å; R532-T536 WeakPolarHBondContact O-CB 3.49Å; R532-T536 PolarHBondContact O-N 3.49Å; R532-T536 PolarHBondContact O-OG1 3.44Å; R532-I576 HydrophobicContact CB-CG2 4.14Å; R532-I576 HydrophobicContact CG-CG2 4.38Å; R532-E579 IonicContact CZ-OE2 3.42Å; R532-E579 VanDerWaalsContact CZ-OE2 3.24Å; R532-E579 IonicContact NH1-OE2 3.69Å; R532-E579 PolarHBondContact NH1-OE2 2.67Å; R532-E579 IonicContact NH2-OE2 3.17Å; R532-E579 PolarHBondContact NH2-OE2 2.88Å; R532-I580 HydrophobicContact CG-CD1 4.05Å; R532-I580 WeakPolarHBondContact O-CD1 3.46Å
533	T	97.6	Very high	95.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61	-46.7	176	-40.3	0	0	0	0	111.1	L491 I514 E529 T536 F537	L491-T533 PolarHBondContact O-OG1 3.05Å; I514-T533 HydrophobicContact CD1-CG2 4.3Å; I514-T533 HydrophobicContact CG1-CG2 4.45Å; E529-T533 PolarHBondContact O-N 3.25Å; E529-T533 PolarHBondContact O-OG1 3.34Å; T533-T536 WeakPolarHBondContact O-CB 3.46Å; T533-T536 PolarHBondContact O-N 3.08Å; T533-F537 HydrophobicContact CG2-CE1 4.01Å; T533-F537 HydrophobicContact CG2-CE2 3.92Å; T533-F537 HydrophobicContact CG2-CZ 3.62Å; T533-F537 WeakPolarHBondContact O-CG 3.45Å; T533-F537 PolarHBondContact O-N 3Å
534	F	97.9	Very high	94.7	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.009	15%	0.15	C	C	.	.	H	α-helix	trans	-63.1	-45	179.8	-171.8	-91.6	0	0	0	112.5	S511 I514 F515 A530 T536 F537 L538 M550 L554	S511-F534 WeakPolarHBondContact O-CE2 3Å; I514-F534 HydrophobicContact CG2-CB 3.87Å; F515-F534 HydrophobicContact CB-CD2 4.13Å; F515-F534 HydrophobicContact CB-CE2 3.85Å; F515-F534 HydrophobicContact CD2-CD2 4.19Å; F515-F534 HydrophobicContact CD2-CE1 4.18Å; F515-F534 AromaticContact CD2-CE2 3.72Å; F515-F534 HydrophobicContact CD2-CE2 3.72Å; F515-F534 AromaticContact CD2-CZ 3.71Å; F515-F534 HydrophobicContact CD2-CZ 3.71Å; F515-F534 HydrophobicContact CE2-CZ 4.34Å; F515-F534 HydrophobicContact CG-CE2 4.22Å; A530-F534 VanDerWaalsContact O-CB 3.27Å; A530-F534 WeakPolarHBondContact O-CB 3.36Å; A530-F534 PolarHBondContact O-N 3.04Å; F534-T536 VanDerWaalsContact C-N 3.27Å; F534-T536 PolarHBondContact O-N 3.37Å; F534-F537 PolarHBondContact O-N 2.95Å; F534-L538 WeakPolarHBondContact O-CB 3.3Å; F534-L538 PolarHBondContact O-N 2.95Å; F534-M550 HydrophobicContact CD1-CE 4.47Å; F534-M550 HydrophobicContact CD2-CE 4.21Å; F534-M550 HydrophobicContact CE1-CB 4.18Å; F534-M550 HydrophobicContact CE1-CE 4.04Å; F534-M550 HydrophobicContact CE2-CE 3.76Å; F534-M550 HydrophobicContact CZ-CB 3.87Å; F534-M550 HydrophobicContact CZ-CE 3.67Å; F534-M550 HydrophobicContact CZ-CG 4Å; F534-L554 HydrophobicContact CD1-CD1 4.18Å; F534-L554 HydrophobicContact CD1-CD2 4.14Å; F534-L554 HydrophobicContact CD1-CG 4.36Å; F534-L554 HydrophobicContact CE1-CD1 3.83Å; F534-L554 HydrophobicContact CE1-CD2 3.99Å; F534-L554 HydrophobicContact CE1-CG 3.82Å
535	C	97.6	Very high	94.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-65.9	-31.7	176.4	-71.2	0	0	0	0	112.1	A531 R532 L538 R539 I580 F581	A531-C535 VanDerWaalsContact O-CB 3.27Å; A531-C535 WeakPolarHBondContact O-CB 3.38Å; A531-C535 PolarHBondContact O-N 3.01Å; A531-C535 PolarHBondContact O-SG 3.47Å; R532-C535 PolarHBondContact O-N 3.39Å; C535-L538 PolarHBondContact O-N 2.83Å; C535-R539 PolarHBondContact O-N 3.18Å; C535-I580 HydrophobicContact CB-CD1 3.38Å; C535-I580 HydrophobicContact CB-CG2 4.36Å; C535-F581 HydrophobicContact CB-CE2 3.92Å; C535-F581 HydrophobicContact CB-CZ 4.33Å; C535-F581 WeakPolarHBondContact O-CZ 3.46Å
536	T	96.3	Very high	94.5	Very high	20 Å²	20	34.2 Å²	34.2	12%	0.123	15%	0.148	C	C	.	.	H	α-helix	trans	-67.9	-43.8	174.3	-57.9	0	0	0	0	111.2	S498 R532 T533 F534 R539 Y540	S498-T536 WeakPolarHBondContact OG-CG2 3.48Å; R532-T536 WeakPolarHBondContact O-CB 3.49Å; R532-T536 PolarHBondContact O-N 3.49Å; R532-T536 PolarHBondContact O-OG1 3.44Å; T533-T536 WeakPolarHBondContact O-CB 3.46Å; T533-T536 PolarHBondContact O-N 3.08Å; F534-T536 VanDerWaalsContact C-N 3.27Å; F534-T536 PolarHBondContact O-N 3.37Å; T536-R539 PolarHBondContact O-N 3.43Å; T536-Y540 HydrophobicContact CG2-CD2 4.04Å; T536-Y540 HydrophobicContact CG2-CE2 4.3Å; T536-Y540 WeakPolarHBondContact O-CD2 3.29Å; T536-Y540 PolarHBondContact O-N 3.11Å; T536-Y540 VanDerWaalsContact O-N 3.13Å
537	F	95.9	Very high	94.3	Very high	3 Å²	3	35.2 Å²	35.2	1%	0.013	15%	0.152	C	C	.	.	H	α-helix	trans	-64	-40.1	173.2	-64.8	-10.7	0	0	0	112.1	Y494 L497 L506 F510 I514 T533 F534 Y540 N541 M550	Y494-F537 WeakPolarHBondContact O-CE1 3.44Å; L497-F537 HydrophobicContact CB-CE1 4.26Å; L497-F537 HydrophobicContact CB-CZ 4.46Å; L497-F537 HydrophobicContact CD1-CZ 4.46Å; L506-F537 HydrophobicContact CB-CG 4.47Å; L506-F537 HydrophobicContact CD1-CD1 4.1Å; L506-F537 HydrophobicContact CD1-CE1 4.33Å; L506-F537 HydrophobicContact CD2-CE1 4.36Å; L506-F537 HydrophobicContact CD2-CZ 4.38Å; F510-F537 HydrophobicContact CB-CD2 4.42Å; F510-F537 HydrophobicContact CB-CE2 3.69Å; F510-F537 HydrophobicContact CB-CZ 4.46Å; F510-F537 HydrophobicContact CG-CE2 4.46Å; I514-F537 HydrophobicContact CG1-CD2 4.49Å; I514-F537 HydrophobicContact CG1-CE2 3.96Å; T533-F537 HydrophobicContact CG2-CE1 4.01Å; T533-F537 HydrophobicContact CG2-CE2 3.92Å; T533-F537 HydrophobicContact CG2-CZ 3.62Å; T533-F537 WeakPolarHBondContact O-CG 3.45Å; T533-F537 PolarHBondContact O-N 3Å; F534-F537 PolarHBondContact O-N 2.95Å; F537-Y540 PolarHBondContact O-N 3.14Å; F537-N541 WeakPolarHBondContact O-CB 3.47Å; F537-N541 PolarHBondContact O-N 2.79Å; F537-M550 HydrophobicContact CB-CE 4.24Å
538	L	95.2	Very high	94.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.4	-42.4	173.5	169.9	60.1	0	0	0	112.4	F534 C535 R547 M550 M551 L554 F581 F590	F534-L538 WeakPolarHBondContact O-CB 3.3Å; F534-L538 PolarHBondContact O-N 2.95Å; C535-L538 PolarHBondContact O-N 2.83Å; L538-R547 HydrophobicContact CD1-CB 4.03Å; L538-R547 HydrophobicContact CD1-CG 4.32Å; L538-R547 WeakPolarHBondContact CD1-O 3.32Å; L538-M550 HydrophobicContact CB-CE 3.98Å; L538-M550 HydrophobicContact CD1-CB 3.95Å; L538-M551 HydrophobicContact CD2-CE 3.83Å; L538-L554 HydrophobicContact CD2-CD1 3.97Å; L538-F581 HydrophobicContact CB-CZ 4.28Å; L538-F581 HydrophobicContact CD2-CE2 4.44Å; L538-F581 HydrophobicContact CD2-CZ 3.76Å; L538-F581 HydrophobicContact CG-CE1 4.29Å; L538-F581 HydrophobicContact CG-CZ 3.81Å; L538-F590 HydrophobicContact CD2-CZ 4.35Å
539	R	92.4	Very high	94.1	Very high	30 Å²	30	40 Å²	40	11%	0.113	18%	0.175	C	C	.	.	H	α-helix	trans	-64.4	-45.1	177.7	178.4	171	166.7	-169.5	-10.1	112.2	C535 T536 I580 F581 E684 L688	C535-R539 PolarHBondContact O-N 3.18Å; T536-R539 PolarHBondContact O-N 3.43Å; R539-I580 HydrophobicContact CB-CG2 4.09Å; R539-I580 VanDerWaalsContact CD-O 3.32Å; R539-I580 WeakPolarHBondContact CD-O 3.47Å; R539-I580 PolarHBondContact NH1-O 3Å; R539-F581 HydrophobicContact CB-CD1 4.27Å; R539-F581 HydrophobicContact CB-CE1 3.64Å; R539-F581 HydrophobicContact CB-CZ 4.16Å; R539-F581 HydrophobicContact CG-CD1 4.47Å; R539-F581 HydrophobicContact CG-CE1 4.29Å; R539-E684 IonicContact CZ-OE2 3.19Å; R539-E684 VanDerWaalsContact NH2-CD 3.3Å; R539-E684 IonicContact NH2-OE1 3.04Å; R539-E684 IonicContact NH2-OE2 3.21Å; R539-E684 PolarHBondContact NH2-OE2 2.86Å; R539-L688 VanDerWaalsContact O-CD1 3.28Å; R539-L688 WeakPolarHBondContact O-CD1 3.35Å
540	Y	89.3	Confident	94	Very high	73 Å²	73	39.1 Å²	39.1	29%	0.286	17%	0.171	S	C	.	.	H	α-helix	trans	-93.5	-0.9	-172.8	-68.8	-65.8	0	0	0	114.9	T536 F537 R542 E684 L688	T536-Y540 HydrophobicContact CG2-CD2 4.04Å; T536-Y540 HydrophobicContact CG2-CE2 4.3Å; T536-Y540 WeakPolarHBondContact O-CD2 3.29Å; T536-Y540 PolarHBondContact O-N 3.11Å; T536-Y540 VanDerWaalsContact O-N 3.13Å; F537-Y540 PolarHBondContact O-N 3.14Å; Y540-R542 PolarHBondContact O-N 3.08Å; Y540-E684 PolarHBondContact OH-OE2 3.23Å; Y540-L688 HydrophobicContact CD1-CD1 4.41Å
541	N	90.2	Very high	94	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	17%	0.174	C	C	.	.			trans	-68.4	123.7	170.1	-171.2	-17.2	0	0	0	111.3	F537 K543 Q546 R547	F537-N541 WeakPolarHBondContact O-CB 3.47Å; F537-N541 PolarHBondContact O-N 2.79Å; N541-K543 PolarHBondContact OD1-N 2.98Å; N541-Q546 VanDerWaalsContact ND2-CB 3.26Å; N541-Q546 WeakPolarHBondContact ND2-CB 3.24Å; N541-Q546 PolarHBondContact ND2-OE1 3.26Å; N541-Q546 PolarHBondContact OD1-OE1 3.34Å; N541-R547 HydrophobicContact CB-CG 4.12Å; N541-R547 VanDerWaalsContact O-CD 3.27Å; N541-R547 WeakPolarHBondContact O-CD 3.3Å; N541-R547 WeakPolarHBondContact O-CG 3.44Å; N541-R547 PolarHBondContact O-NH1 2.69Å
542	R	86.1	Confident	93.9	Very high	98 Å²	98	43.3 Å²	43.3	37%	0.37	19%	0.191	S	C	.	.			trans	-72.8	-23.6	179.6	-66.8	-168.9	-170.2	173.9	7.7	114.9	Y540 R547 L688 E692 E695	Y540-R542 PolarHBondContact O-N 3.08Å; R542-R547 PolarHBondContact O-NH1 3.01Å; R542-L688 HydrophobicContact CG-CD2 4.08Å; R542-E692 WeakPolarHBondContact O-CG 3.46Å; R542-E695 IonicContact CZ-OE1 2.75Å; R542-E695 IonicContact NH1-OE1 2.69Å; R542-E695 PolarHBondContact NH1-OE1 3.16Å
543	K	89.1	Confident	93.8	Very high	77 Å²	77	44.4 Å²	44.4	34%	0.335	20%	0.195	S	C	.	.			trans	-91.2	120.3	-175.4	-63.7	-168.8	-179	-176.5	0	112.1	E504 N541 E545 Q546 R547	E504-K543 IonicContact OE1-NZ 2.81Å; E504-K543 PolarHBondContact OE1-NZ 3.12Å; E504-K543 WeakPolarHBondContact OE2-CE 3.26Å; E504-K543 IonicContact OE2-NZ 3.63Å; E504-K543 PolarHBondContact OE2-NZ 3.16Å; N541-K543 PolarHBondContact OD1-N 2.98Å; K543-E545 VanDerWaalsContact C-N 3.32Å; K543-E545 PolarHBondContact O-N 3.42Å; K543-Q546 HydrophobicContact CB-CB 4.23Å; K543-Q546 HydrophobicContact CB-CG 4.16Å; K543-Q546 PolarHBondContact O-N 2.68Å; K543-R547 WeakPolarHBondContact O-CG 3.37Å; K543-R547 PolarHBondContact O-N 3.21Å
544	Q	89	Confident	93.8	Very high	93 Å²	93	44.4 Å²	44.4	44%	0.435	20%	0.195	S	C	.	.	H	α-helix	trans	-58.3	-41.4	-179.9	-178	172.8	-34.9	0	0	112.7	Q546 R547 Q548 E692	Q544-Q546 VanDerWaalsContact C-N 3.34Å; Q544-Q546 PolarHBondContact O-N 2.89Å; Q544-R547 VanDerWaalsContact CA-NH2 3.3Å; Q544-R547 PolarHBondContact O-N 3.35Å; Q544-Q548 WeakPolarHBondContact O-CB 3.37Å; Q544-Q548 PolarHBondContact O-N 2.55Å; Q544-E692 WeakPolarHBondContact CB-OE1 3.49Å; Q544-E692 WeakPolarHBondContact CB-OE2 3.42Å; Q544-E692 PolarHBondContact N-OE1 2.85Å; Q544-E692 PolarHBondContact N-OE2 3.47Å; Q544-E692 VanDerWaalsContact N-OE2 3.17Å
545	E	91.1	Very high	93.8	Very high	133 Å²	133	46 Å²	46	62%	0.621	20%	0.203	S	C	*	.	H	α-helix	trans	-61.3	-43.2	179.7	-68.7	149.4	-128.9	0	0	111.1	K543 Q548 E549 R696	K543-E545 VanDerWaalsContact C-N 3.32Å; K543-E545 PolarHBondContact O-N 3.42Å; E545-Q548 PolarHBondContact O-N 2.91Å; E545-E549 PolarHBondContact O-N 3.36Å; E545-R696 IonicContact OE1-CZ 3.85Å; E545-R696 IonicContact OE1-NH2 3.67Å; E545-R696 PolarHBondContact OE1-NH2 3Å
546	Q	94.1	Very high	93.7	Very high	23 Å²	23	51.2 Å²	51.2	11%	0.107	23%	0.227	C	C	.	.	H	α-helix	trans	-71.5	-38.9	176.3	-66.3	178.5	-5.5	0	0	112.3	E504 H507 N541 K543 Q544 Q548 E549 M550	E504-Q546 PolarHBondContact OE1-NE2 3.21Å; H507-Q546 VanDerWaalsContact CD2-CD 3.44Å; N541-Q546 VanDerWaalsContact ND2-CB 3.26Å; N541-Q546 WeakPolarHBondContact ND2-CB 3.24Å; N541-Q546 PolarHBondContact ND2-OE1 3.26Å; N541-Q546 PolarHBondContact OD1-OE1 3.34Å; K543-Q546 HydrophobicContact CB-CB 4.23Å; K543-Q546 HydrophobicContact CB-CG 4.16Å; K543-Q546 PolarHBondContact O-N 2.68Å; Q544-Q546 VanDerWaalsContact C-N 3.34Å; Q544-Q546 PolarHBondContact O-N 2.89Å; Q546-Q548 PolarHBondContact O-N 3.2Å; Q546-E549 PolarHBondContact O-N 2.99Å; Q546-M550 WeakPolarHBondContact O-CB 3.36Å; Q546-M550 VanDerWaalsContact O-CG 3.27Å; Q546-M550 WeakPolarHBondContact O-CG 2.93Å; Q546-M550 PolarHBondContact O-N 3.17Å
547	R	92.9	Very high	93.7	Very high	20 Å²	20	53.7 Å²	53.7	8%	0.075	24%	0.24	C	C	.	.	H	α-helix	trans	-58.9	-38.6	170.5	-70.1	-167.7	-61.5	-89.4	-3	111.2	L538 N541 R542 K543 Q544 M551 L689 E692	L538-R547 HydrophobicContact CD1-CB 4.03Å; L538-R547 HydrophobicContact CD1-CG 4.32Å; L538-R547 WeakPolarHBondContact CD1-O 3.32Å; N541-R547 HydrophobicContact CB-CG 4.12Å; N541-R547 VanDerWaalsContact O-CD 3.27Å; N541-R547 WeakPolarHBondContact O-CD 3.3Å; N541-R547 WeakPolarHBondContact O-CG 3.44Å; N541-R547 PolarHBondContact O-NH1 2.69Å; R542-R547 PolarHBondContact O-NH1 3.01Å; K543-R547 WeakPolarHBondContact O-CG 3.37Å; K543-R547 PolarHBondContact O-N 3.21Å; Q544-R547 VanDerWaalsContact CA-NH2 3.3Å; Q544-R547 PolarHBondContact O-N 3.35Å; R547-M551 WeakPolarHBondContact O-CB 3.47Å; R547-M551 PolarHBondContact O-N 3.47Å; R547-L689 VanDerWaalsContact NH2-CD2 3.29Å; R547-E692 IonicContact CZ-OE2 3.18Å; R547-E692 IonicContact NH1-OE2 2.68Å; R547-E692 PolarHBondContact NH1-OE2 2.76Å; R547-E692 IonicContact NH2-OE2 2.72Å; R547-E692 PolarHBondContact NH2-OE2 3.37Å
548	Q	93.4	Very high	93.8	Very high	102 Å²	102	53.5 Å²	53.5	48%	0.477	24%	0.239	S	C	.	.	H	α-helix	trans	-69.7	-47	178	-179	169	-19.7	0	0	111.5	Q544 E545 Q546 M550 M551 E552	Q544-Q548 WeakPolarHBondContact O-CB 3.37Å; Q544-Q548 PolarHBondContact O-N 2.55Å; E545-Q548 PolarHBondContact O-N 2.91Å; Q546-Q548 PolarHBondContact O-N 3.2Å; Q548-M550 VanDerWaalsContact C-N 3.32Å; Q548-M550 PolarHBondContact O-N 3.04Å; Q548-M551 WeakPolarHBondContact O-CB 3.3Å; Q548-M551 PolarHBondContact O-N 3.39Å; Q548-M551 VanDerWaalsContact O-N 3.14Å; Q548-E552 HydrophobicContact CG-CG 4.29Å; Q548-E552 WeakPolarHBondContact CG-OE1 3.2Å; Q548-E552 PolarHBondContact NE2-OE1 2.92Å; Q548-E552 WeakPolarHBondContact O-CB 3.41Å; Q548-E552 WeakPolarHBondContact O-CG 3.34Å; Q548-E552 PolarHBondContact O-N 2.98Å
549	E	95.7	Very high	93.9	Very high	77 Å²	77	53.9 Å²	53.9	36%	0.36	24%	0.242	S	C	.	.	H	α-helix	trans	-57.5	-43.9	174.7	-170.9	-162.5	145	0	0	111.9	H507 E545 Q546 M551 E552 R553	H507-E549 IonicContact CE1-OE2 2.7Å; H507-E549 IonicContact NE2-OE2 3.93Å; E545-E549 PolarHBondContact O-N 3.36Å; Q546-E549 PolarHBondContact O-N 2.99Å; E549-M551 VanDerWaalsContact C-N 3.34Å; E549-M551 PolarHBondContact O-N 2.87Å; E549-E552 PolarHBondContact O-N 3.39Å; E549-R553 PolarHBondContact O-N 2.97Å; E549-R553 IonicContact OE1-CZ 3.76Å; E549-R553 VanDerWaalsContact OE1-CZ 3.24Å; E549-R553 IonicContact OE1-NH1 2.69Å; E549-R553 PolarHBondContact OE1-NH1 2.83Å; E549-R553 IonicContact OE1-NH2 2.73Å; E549-R553 PolarHBondContact OE1-NH2 3.4Å
550	M	96.9	Very high	94.1	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-64.4	-37	177.5	-71.9	174.9	73.9	0	0	112.3	H507 F534 F537 L538 Q546 Q548 L554	H507-M550 PolarHBondContact ND1-SD 2.88Å; H507-M550 VanDerWaalsContact ND1-SD 3.42Å; F534-M550 HydrophobicContact CD1-CE 4.47Å; F534-M550 HydrophobicContact CD2-CE 4.21Å; F534-M550 HydrophobicContact CE1-CB 4.18Å; F534-M550 HydrophobicContact CE1-CE 4.04Å; F534-M550 HydrophobicContact CE2-CE 3.76Å; F534-M550 HydrophobicContact CZ-CB 3.87Å; F534-M550 HydrophobicContact CZ-CE 3.67Å; F534-M550 HydrophobicContact CZ-CG 4Å; F537-M550 HydrophobicContact CB-CE 4.24Å; L538-M550 HydrophobicContact CB-CE 3.98Å; L538-M550 HydrophobicContact CD1-CB 3.95Å; Q546-M550 WeakPolarHBondContact O-CB 3.36Å; Q546-M550 VanDerWaalsContact O-CG 3.27Å; Q546-M550 WeakPolarHBondContact O-CG 2.93Å; Q546-M550 PolarHBondContact O-N 3.17Å; Q548-M550 VanDerWaalsContact C-N 3.32Å; Q548-M550 PolarHBondContact O-N 3.04Å; M550-L554 WeakPolarHBondContact O-CG 3.45Å; M550-L554 PolarHBondContact O-N 2.78Å
551	M	97	Very high	94.3	Very high	9 Å²	9	55.3 Å²	55.3	4%	0.044	26%	0.255	C	S	.	.	H	α-helix	trans	-69.8	-42.3	173.6	-170.9	63.9	66.6	0	0	112.1	L538 R547 Q548 E549 R553 L554 I555 Y585 H589 F590	L538-M551 HydrophobicContact CD2-CE 3.83Å; R547-M551 WeakPolarHBondContact O-CB 3.47Å; R547-M551 PolarHBondContact O-N 3.47Å; Q548-M551 WeakPolarHBondContact O-CB 3.3Å; Q548-M551 PolarHBondContact O-N 3.39Å; Q548-M551 VanDerWaalsContact O-N 3.14Å; E549-M551 VanDerWaalsContact C-N 3.34Å; E549-M551 PolarHBondContact O-N 2.87Å; M551-R553 VanDerWaalsContact C-N 3.34Å; M551-R553 PolarHBondContact O-N 2.91Å; M551-L554 WeakPolarHBondContact O-CB 3.33Å; M551-L554 PolarHBondContact O-N 3.14Å; M551-L554 VanDerWaalsContact O-N 3.13Å; M551-I555 HydrophobicContact CG-CD1 4.11Å; M551-I555 WeakPolarHBondContact O-CG1 3.5Å; M551-I555 PolarHBondContact O-N 2.8Å; M551-Y585 HydrophobicContact CE-CE1 3.76Å; M551-H589 HydrophobicContact CE-CB 3.7Å; M551-H589 HydrophobicContact SD-CB 4.03Å; M551-F590 HydrophobicContact CE-CD2 4.4Å; M551-F590 HydrophobicContact CE-CE2 3.7Å; M551-F590 HydrophobicContact CE-CZ 3.8Å; M551-F590 HydrophobicContact SD-CE1 4.22Å; M551-F590 HydrophobicContact SD-CE2 4.25Å; M551-F590 HydrophobicContact SD-CZ 4.02Å
552	E	96.3	Very high	94.4	Very high	80 Å²	80	67.3 Å²	67.3	37%	0.374	30%	0.3	S	S	.	.	H	α-helix	trans	-64.8	-37.4	179.3	-76.3	177.7	-166.2	0	0	111.4	Q548 E549 I555 Q556	Q548-E552 HydrophobicContact CG-CG 4.29Å; Q548-E552 WeakPolarHBondContact CG-OE1 3.2Å; Q548-E552 PolarHBondContact NE2-OE1 2.92Å; Q548-E552 WeakPolarHBondContact O-CB 3.41Å; Q548-E552 WeakPolarHBondContact O-CG 3.34Å; Q548-E552 PolarHBondContact O-N 2.98Å; E549-E552 PolarHBondContact O-N 3.39Å; E552-I555 PolarHBondContact O-N 3Å; E552-Q556 VanDerWaalsContact O-CB 3.29Å; E552-Q556 WeakPolarHBondContact O-CB 3.32Å; E552-Q556 VanDerWaalsContact O-CG 3.26Å; E552-Q556 WeakPolarHBondContact O-CG 3.29Å; E552-Q556 PolarHBondContact O-N 3.46Å
553	R	96.3	Very high	94.8	Very high	91 Å²	91	65 Å²	65	34%	0.343	30%	0.298	S	S	.	.	H	α-helix	trans	-59.3	-46.1	167.8	-86.8	-155.8	-171.6	80.6	9.2	112.9	F515 E549 M551 I555 Q556 D557	F515-R553 HydrophobicContact CE1-CB 4.33Å; F515-R553 HydrophobicContact CE2-CB 3.91Å; F515-R553 HydrophobicContact CZ-CB 3.73Å; F515-R553 HydrophobicContact CZ-CG 4.43Å; E549-R553 PolarHBondContact O-N 2.97Å; E549-R553 IonicContact OE1-CZ 3.76Å; E549-R553 VanDerWaalsContact OE1-CZ 3.24Å; E549-R553 IonicContact OE1-NH1 2.69Å; E549-R553 PolarHBondContact OE1-NH1 2.83Å; E549-R553 IonicContact OE1-NH2 2.73Å; E549-R553 PolarHBondContact OE1-NH2 3.4Å; M551-R553 VanDerWaalsContact C-N 3.34Å; M551-R553 PolarHBondContact O-N 2.91Å; R553-I555 VanDerWaalsContact C-N 3.26Å; R553-I555 PolarHBondContact O-N 3.5Å; R553-Q556 PolarHBondContact O-N 3.05Å; R553-D557 WeakPolarHBondContact O-CB 3.4Å; R553-D557 PolarHBondContact O-N 3.37Å
554	L	97.8	Very high	95.1	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	30%	0.296	C	S	.	.	I	π-helix	trans	-60.3	-37.7	177.2	-69.7	170.9	0	0	0	111.6	F515 L518 F534 L538 M550 M551 L558 A559 F570 V573 F590	F515-L554 HydrophobicContact CE2-CD2 3.93Å; F515-L554 HydrophobicContact CE2-CG 4.41Å; L518-L554 HydrophobicContact CD2-CD2 4.4Å; F534-L554 HydrophobicContact CD1-CD1 4.18Å; F534-L554 HydrophobicContact CD1-CD2 4.14Å; F534-L554 HydrophobicContact CD1-CG 4.36Å; F534-L554 HydrophobicContact CE1-CD1 3.83Å; F534-L554 HydrophobicContact CE1-CD2 3.99Å; F534-L554 HydrophobicContact CE1-CG 3.82Å; L538-L554 HydrophobicContact CD2-CD1 3.97Å; M550-L554 WeakPolarHBondContact O-CG 3.45Å; M550-L554 PolarHBondContact O-N 2.78Å; M551-L554 WeakPolarHBondContact O-CB 3.33Å; M551-L554 PolarHBondContact O-N 3.14Å; M551-L554 VanDerWaalsContact O-N 3.13Å; L554-L558 HydrophobicContact CD2-CD1 3.63Å; L554-L558 WeakPolarHBondContact O-CB 3.39Å; L554-L558 PolarHBondContact O-N 2.95Å; L554-A559 PolarHBondContact O-N 2.73Å; L554-A559 VanDerWaalsContact O-N 3.16Å; L554-F570 HydrophobicContact CB-CE2 4.38Å; L554-F570 WeakPolarHBondContact O-CD2 3.42Å; L554-V573 HydrophobicContact CD1-CG1 4.44Å; L554-V573 HydrophobicContact CD2-CG1 4.2Å; L554-V573 HydrophobicContact CD2-CG2 4.45Å; L554-F590 HydrophobicContact CD1-CE1 4.12Å; L554-F590 HydrophobicContact CD1-CZ 4.34Å
555	I	97.2	Very high	95.4	Very high	35 Å²	35	66.8 Å²	66.8	18%	0.179	30%	0.3	C	S	.	.	I	π-helix	trans	-75.9	-47.6	178.6	-64.5	170.2	0	0	0	111.3	M551 E552 R553 A559 Q560 P593	M551-I555 HydrophobicContact CG-CD1 4.11Å; M551-I555 WeakPolarHBondContact O-CG1 3.5Å; M551-I555 PolarHBondContact O-N 2.8Å; E552-I555 PolarHBondContact O-N 3Å; R553-I555 VanDerWaalsContact C-N 3.26Å; R553-I555 PolarHBondContact O-N 3.5Å; I555-A559 CarbonylContact O-C 3.34Å; I555-A559 WeakPolarHBondContact O-CB 3.46Å; I555-A559 PolarHBondContact O-N 2.9Å; I555-Q560 HydrophobicContact CG2-CG 4.38Å; I555-Q560 WeakPolarHBondContact O-CB 3.1Å; I555-Q560 PolarHBondContact O-N 3.48Å; I555-P593 HydrophobicContact CD1-CG 4.02Å; I555-P593 HydrophobicContact CG1-CG 4.1Å
556	Q	96.6	Very high	95.6	Very high	109 Å²	109	61.9 Å²	61.9	51%	0.509	28%	0.278	S	S	.	.	I	π-helix	trans	-75.2	-49.3	-173.4	-66.4	174.8	27.5	0	0	112.7	E552 R553 Q560 G561	E552-Q556 VanDerWaalsContact O-CB 3.29Å; E552-Q556 WeakPolarHBondContact O-CB 3.32Å; E552-Q556 VanDerWaalsContact O-CG 3.26Å; E552-Q556 WeakPolarHBondContact O-CG 3.29Å; E552-Q556 PolarHBondContact O-N 3.46Å; R553-Q556 PolarHBondContact O-N 3.05Å; Q556-Q560 CarbonylContact O-C 3.37Å; Q556-G561 PolarHBondContact O-N 3.06Å
557	D	96.3	Very high	95.7	Very high	72 Å²	72	62.2 Å²	62.2	39%	0.385	28%	0.278	S	S	.	.	I	π-helix	trans	-84.9	-28.2	-175.1	-65.2	-37	0	0	0	112.9	F515 R553 G561 N566	F515-D557 HydrophobicContact CE1-CB 4.09Å; F515-D557 WeakPolarHBondContact CE1-OD2 3.3Å; F515-D557 HydrophobicContact CZ-CB 3.92Å; R553-D557 WeakPolarHBondContact O-CB 3.4Å; R553-D557 PolarHBondContact O-N 3.37Å; D557-G561 WeakPolarHBondContact O-CA 3.49Å; D557-N566 WeakPolarHBondContact O-CB 3.44Å; D557-N566 PolarHBondContact O-ND2 3.37Å
558	L	97	Very high	95.9	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	28%	0.282	C	S	.	.	I	π-helix	trans	-98.1	-71.2	176.3	-49	-178.7	0	0	0	112.6	L518 T519 L554 Q560 G561 N566 R567 R569 F570 V573	L518-L558 HydrophobicContact CD2-CD1 4.01Å; T519-L558 HydrophobicContact CG2-CD2 3.7Å; L554-L558 HydrophobicContact CD2-CD1 3.63Å; L554-L558 WeakPolarHBondContact O-CB 3.39Å; L554-L558 PolarHBondContact O-N 2.95Å; L558-Q560 PolarHBondContact O-N 3.43Å; L558-G561 PolarHBondContact O-N 3.46Å; L558-G561 VanDerWaalsContact O-N 3.1Å; L558-N566 WeakPolarHBondContact CB-O 3.29Å; L558-N566 HydrophobicContact CD2-CB 4.18Å; L558-N566 CarbonylContact O-C 3.5Å; L558-R567 WeakPolarHBondContact O-CA 3.45Å; L558-R567 VanDerWaalsContact O-CG 3.24Å; L558-R567 WeakPolarHBondContact O-CG 3.42Å; L558-R567 PolarHBondContact O-N 2.87Å; L558-R569 HydrophobicContact CD2-CB 4.32Å; L558-F570 HydrophobicContact CB-CB 3.8Å; L558-F570 HydrophobicContact CB-CD2 4.05Å; L558-F570 HydrophobicContact CB-CG 4.38Å; L558-V573 HydrophobicContact CD1-CG2 4.06Å
559	A	97.1	Very high	96	Very high	7 Å²	7	59.6 Å²	59.6	6%	0.058	27%	0.266	C	S	.	.	I	π-helix	trans	-62.9	-41.8	-172.1	0	0	0	0	0	113.5	L554 I555 R567 F570 P593	L554-A559 PolarHBondContact O-N 2.73Å; L554-A559 VanDerWaalsContact O-N 3.16Å; I555-A559 CarbonylContact O-C 3.34Å; I555-A559 WeakPolarHBondContact O-CB 3.46Å; I555-A559 PolarHBondContact O-N 2.9Å; A559-R567 VanDerWaalsContact O-CD 3.24Å; A559-R567 WeakPolarHBondContact O-CD 3.49Å; A559-R567 WeakPolarHBondContact O-CG 3.28Å; A559-F570 HydrophobicContact CB-CB 4.24Å; A559-F570 HydrophobicContact CB-CD1 3.57Å; A559-F570 HydrophobicContact CB-CD2 3.77Å; A559-F570 HydrophobicContact CB-CE1 3.8Å; A559-F570 HydrophobicContact CB-CE2 3.98Å; A559-F570 HydrophobicContact CB-CG 3.56Å; A559-F570 HydrophobicContact CB-CZ 4Å; A559-P593 HydrophobicContact CB-CB 4.25Å
560	Q	96.3	Very high	96.1	Very high	126 Å²	126	55.9 Å²	55.9	59%	0.589	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.1	6.3	177	-59.8	175.5	-4.4	0	0	111.7	I555 Q556 L558	I555-Q560 HydrophobicContact CG2-CG 4.38Å; I555-Q560 WeakPolarHBondContact O-CB 3.1Å; I555-Q560 PolarHBondContact O-N 3.48Å; Q556-Q560 CarbonylContact O-C 3.37Å; L558-Q560 PolarHBondContact O-N 3.43Å
561	G	93.7	Very high	96.1	Very high	7 Å²	7	55.9 Å²	55.9	7%	0.072	25%	0.249	C	C	.	.			trans	-62	137.6	-175.8	0	0	0	0	0	113	Q556 D557 L558 S563 R567	Q556-G561 PolarHBondContact O-N 3.06Å; D557-G561 WeakPolarHBondContact O-CA 3.49Å; L558-G561 PolarHBondContact O-N 3.46Å; L558-G561 VanDerWaalsContact O-N 3.1Å; G561-S563 PolarHBondContact O-N 3.15Å; G561-R567 WeakPolarHBondContact O-CD 3.31Å; G561-R567 PolarHBondContact O-NH1 2.95Å
562	R	92.9	Very high	96.1	Very high	253 Å²	253	56.5 Å²	56.5	96%	0.955	25%	0.252	S	S	*	.	S	Bend	trans	-57	-36.6	-177.4	-61.8	-177.5	-177.1	-176.7	1.1	113	R567	R562-R567 PolarHBondContact O-NH1 2.77Å
563	S	94	Very high	96.2	Very high	49 Å²	49	52.7 Å²	52.7	34%	0.343	23%	0.234	S	C	.	.	S	Bend	trans	-81.4	131.5	177.9	-177.2	0	0	0	0	111.7	G561 W565 N566 R567	G561-S563 PolarHBondContact O-N 3.15Å; S563-W565 PolarHBondContact O-N 3.34Å; S563-W565 PolarHBondContact OG-N 2.74Å; S563-N566 WeakPolarHBondContact O-CB 3.48Å; S563-N566 PolarHBondContact O-N 3.38Å; S563-R567 PolarHBondContact O-N 3.49Å
564	Y	95.8	Very high	96.3	Very high	70 Å²	70	48.3 Å²	48.3	28%	0.275	22%	0.218	S	C	.	.	H	α-helix	trans	-64.3	-26	175.4	82.1	-95.9	0	0	0	112.5	N566 R567 L568 V602 V605	Y564-N566 PolarHBondContact O-N 3.1Å; Y564-R567 PolarHBondContact O-N 3.07Å; Y564-R567 VanDerWaalsContact O-N 3.16Å; Y564-L568 HydrophobicContact CD2-CD1 3.79Å; Y564-L568 HydrophobicContact CD2-CG 4.37Å; Y564-L568 HydrophobicContact CE2-CD1 3.84Å; Y564-L568 PolarHBondContact O-N 3.39Å; Y564-V602 HydrophobicContact CD1-CG1 4.47Å; Y564-V602 HydrophobicContact CD1-CG2 4.49Å; Y564-V602 HydrophobicContact CD2-CG1 4.02Å; Y564-V602 HydrophobicContact CG-CB 4.44Å; Y564-V602 HydrophobicContact CG-CG1 3.97Å; Y564-V602 HydrophobicContact CG-CG2 4.26Å; Y564-V605 HydrophobicContact CD2-CG2 4.41Å
565	W	94.8	Very high	96.2	Very high	139 Å²	139	50.6 Å²	50.6	53%	0.527	23%	0.228	S	C	.	.	H	α-helix	trans	-60.8	-34.2	171.3	-63.9	103.7	0	0	0	112.3	S563 L568 R569	S563-W565 PolarHBondContact O-N 3.34Å; S563-W565 PolarHBondContact OG-N 2.74Å; W565-L568 HydrophobicContact CE3-CD1 4.35Å; W565-R569 WeakPolarHBondContact O-CD 3.23Å; W565-R569 VanDerWaalsContact O-CG 3.22Å; W565-R569 WeakPolarHBondContact O-CG 3.43Å; W565-R569 PolarHBondContact O-N 3.34Å
566	N	94.9	Very high	96.2	Very high	30 Å²	30	49.2 Å²	49.2	16%	0.16	22%	0.221	C	C	.	.	H	α-helix	trans	-71.8	-35.9	175.7	-80	26	0	0	0	111.4	D557 L558 S563 Y564 R569 F570	D557-N566 WeakPolarHBondContact O-CB 3.44Å; D557-N566 PolarHBondContact O-ND2 3.37Å; L558-N566 WeakPolarHBondContact CB-O 3.29Å; L558-N566 HydrophobicContact CD2-CB 4.18Å; L558-N566 CarbonylContact O-C 3.5Å; S563-N566 WeakPolarHBondContact O-CB 3.48Å; S563-N566 PolarHBondContact O-N 3.38Å; Y564-N566 PolarHBondContact O-N 3.1Å; N566-R569 WeakPolarHBondContact O-CB 3.37Å; N566-R569 PolarHBondContact O-N 3.13Å; N566-R569 PolarHBondContact OD1-NH1 3.18Å; N566-F570 PolarHBondContact O-N 3.25Å
567	R	97.4	Very high	96.2	Very high	30 Å²	30	44 Å²	44	11%	0.113	20%	0.197	C	C	.	.	H	α-helix	trans	-73.3	-32.7	176.8	-56.2	-170.4	-55.3	-95.7	8.2	112.2	L558 A559 G561 R562 S563 Y564 F570 L571 L597 D600 V605	L558-R567 WeakPolarHBondContact O-CA 3.45Å; L558-R567 VanDerWaalsContact O-CG 3.24Å; L558-R567 WeakPolarHBondContact O-CG 3.42Å; L558-R567 PolarHBondContact O-N 2.87Å; A559-R567 VanDerWaalsContact O-CD 3.24Å; A559-R567 WeakPolarHBondContact O-CD 3.49Å; A559-R567 WeakPolarHBondContact O-CG 3.28Å; G561-R567 WeakPolarHBondContact O-CD 3.31Å; G561-R567 PolarHBondContact O-NH1 2.95Å; R562-R567 PolarHBondContact O-NH1 2.77Å; S563-R567 PolarHBondContact O-N 3.49Å; Y564-R567 PolarHBondContact O-N 3.07Å; Y564-R567 VanDerWaalsContact O-N 3.16Å; R567-F570 PolarHBondContact O-N 2.78Å; R567-L571 PolarHBondContact O-N 3.45Å; R567-L597 HydrophobicContact CB-CD2 4.13Å; R567-L597 HydrophobicContact CG-CD2 4.37Å; R567-D600 IonicContact CZ-OD1 3.03Å; R567-D600 IonicContact CZ-OD2 3.53Å; R567-D600 IonicContact NE-OD1 3.82Å; R567-D600 IonicContact NE-OD2 3.47Å; R567-D600 PolarHBondContact NE-OD2 3.3Å; R567-D600 IonicContact NH2-OD1 3.82Å; R567-D600 PolarHBondContact NH2-OD1 3.03Å; R567-D600 IonicContact NH2-OD2 2.7Å; R567-D600 PolarHBondContact NH2-OD2 3.47Å; R567-V605 HydrophobicContact CB-CG1 4.09Å; R567-V605 HydrophobicContact CB-CG2 4.29Å
568	L	96.1	Very high	96.1	Very high	30 Å²	30	42 Å²	42	16%	0.157	19%	0.187	C	C	.	.	H	α-helix	trans	-62.4	-46.9	165	-73.5	173.9	0	0	0	112	Y564 W565 F570 L571 D572 V605 K608	Y564-L568 HydrophobicContact CD2-CD1 3.79Å; Y564-L568 HydrophobicContact CD2-CG 4.37Å; Y564-L568 HydrophobicContact CE2-CD1 3.84Å; Y564-L568 PolarHBondContact O-N 3.39Å; W565-L568 HydrophobicContact CE3-CD1 4.35Å; L568-F570 PolarHBondContact O-N 2.96Å; L568-L571 WeakPolarHBondContact O-CB 3.36Å; L568-L571 PolarHBondContact O-N 2.96Å; L568-D572 PolarHBondContact O-N 3.29Å; L568-V605 HydrophobicContact CD2-CG2 4.27Å; L568-V605 HydrophobicContact CG-CG2 4.13Å; L568-K608 HydrophobicContact CD2-CB 3.73Å; L568-K608 HydrophobicContact CD2-CG 4.09Å
569	R	95.4	Very high	95.9	Very high	36 Å²	36	45.7 Å²	45.7	14%	0.136	21%	0.205	C	C	.	.	H	α-helix	trans	-58.8	-35.5	174.9	-73	162.3	-175.3	133.6	4.5	112.2	L518 T519 Q527 L558 W565 N566 L571 D572 V573	L518-R569 PolarHBondContact O-NE 3.11Å; T519-R569 PolarHBondContact O-NH1 3.02Å; T519-R569 VanDerWaalsContact O-NH1 3.1Å; Q527-R569 VanDerWaalsContact NE2-CZ 3.27Å; L558-R569 HydrophobicContact CD2-CB 4.32Å; W565-R569 WeakPolarHBondContact O-CD 3.23Å; W565-R569 VanDerWaalsContact O-CG 3.22Å; W565-R569 WeakPolarHBondContact O-CG 3.43Å; W565-R569 PolarHBondContact O-N 3.34Å; N566-R569 WeakPolarHBondContact O-CB 3.37Å; N566-R569 PolarHBondContact O-N 3.13Å; N566-R569 PolarHBondContact OD1-NH1 3.18Å; R569-L571 VanDerWaalsContact C-N 3.32Å; R569-L571 PolarHBondContact O-N 3.07Å; R569-D572 PolarHBondContact O-N 3.09Å; R569-V573 WeakPolarHBondContact O-CB 3.41Å; R569-V573 VanDerWaalsContact O-CG2 3.23Å; R569-V573 WeakPolarHBondContact O-CG2 3.37Å; R569-V573 PolarHBondContact O-N 3.26Å
570	F	98.1	Very high	95.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-40.5	173.2	-171	-105.4	0	0	0	112.1	L554 L558 A559 N566 R567 L568 V573 C574 F590 P593 A594 L597	L554-F570 HydrophobicContact CB-CE2 4.38Å; L554-F570 WeakPolarHBondContact O-CD2 3.42Å; L558-F570 HydrophobicContact CB-CB 3.8Å; L558-F570 HydrophobicContact CB-CD2 4.05Å; L558-F570 HydrophobicContact CB-CG 4.38Å; A559-F570 HydrophobicContact CB-CB 4.24Å; A559-F570 HydrophobicContact CB-CD1 3.57Å; A559-F570 HydrophobicContact CB-CD2 3.77Å; A559-F570 HydrophobicContact CB-CE1 3.8Å; A559-F570 HydrophobicContact CB-CE2 3.98Å; A559-F570 HydrophobicContact CB-CG 3.56Å; A559-F570 HydrophobicContact CB-CZ 4Å; N566-F570 PolarHBondContact O-N 3.25Å; R567-F570 PolarHBondContact O-N 2.78Å; L568-F570 PolarHBondContact O-N 2.96Å; F570-V573 CarbonylContact O-C 3.3Å; F570-V573 WeakPolarHBondContact O-CB 3.27Å; F570-V573 PolarHBondContact O-N 3.12Å; F570-C574 WeakPolarHBondContact CE1-SG 3.45Å; F570-C574 PolarHBondContact O-N 3.08Å; F570-C574 PolarHBondContact O-SG 3.17Å; F570-F590 HydrophobicContact CE2-CD1 4.36Å; F570-F590 HydrophobicContact CZ-CD1 4.26Å; F570-P593 HydrophobicContact CE1-CB 3.8Å; F570-P593 HydrophobicContact CZ-CB 3.76Å; F570-A594 HydrophobicContact CE1-CB 4.17Å; F570-L597 HydrophobicContact CD1-CD1 4.2Å
571	L	97.8	Very high	95.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-69.5	-35.7	176.9	-65.8	169.5	0	0	0	112.7	R567 L568 R569 C574 E575 A594 L597 V605 K608 L609 L612	R567-L571 PolarHBondContact O-N 3.45Å; L568-L571 WeakPolarHBondContact O-CB 3.36Å; L568-L571 PolarHBondContact O-N 2.96Å; R569-L571 VanDerWaalsContact C-N 3.32Å; R569-L571 PolarHBondContact O-N 3.07Å; L571-C574 PolarHBondContact O-N 3.03Å; L571-E575 PolarHBondContact O-N 2.87Å; L571-A594 HydrophobicContact CD2-CB 4.38Å; L571-L597 HydrophobicContact CD1-CD1 4.14Å; L571-L597 HydrophobicContact CD2-CD1 3.91Å; L571-L597 HydrophobicContact CG-CD1 3.85Å; L571-V605 HydrophobicContact CD1-CG1 3.8Å; L571-V605 WeakPolarHBondContact CD1-O 3.25Å; L571-K608 HydrophobicContact CB-CG 3.71Å; L571-K608 HydrophobicContact CD1-CB 3.94Å; L571-K608 HydrophobicContact CD1-CG 3.68Å; L571-K608 HydrophobicContact CG-CG 4.34Å; L571-L609 HydrophobicContact CD1-CB 4.1Å; L571-L609 HydrophobicContact CD2-CB 4.34Å; L571-L609 HydrophobicContact CD2-CD1 3.99Å; L571-L612 HydrophobicContact CB-CD2 4.47Å; L571-L612 HydrophobicContact CD2-CD2 4.09Å
572	D	96.4	Very high	95.8	Very high	22 Å²	22	39.8 Å²	39.8	12%	0.118	17%	0.174	C	C	.	.	H	α-helix	trans	-66.8	-36.7	169.4	-75.3	-49	0	0	0	112	K528 L568 R569 E575 I576 K608	K528-D572 WeakPolarHBondContact CE-OD1 3.15Å; K528-D572 IonicContact NZ-OD1 2.71Å; K528-D572 PolarHBondContact NZ-OD1 3.49Å; L568-D572 PolarHBondContact O-N 3.29Å; R569-D572 PolarHBondContact O-N 3.09Å; D572-E575 WeakPolarHBondContact O-CB 3.14Å; D572-E575 PolarHBondContact O-N 3.22Å; D572-I576 WeakPolarHBondContact O-CG1 3.39Å; D572-I576 PolarHBondContact O-N 3Å; D572-I576 VanDerWaalsContact O-N 3.1Å; D572-K608 IonicContact OD1-NZ 3.83Å; D572-K608 PolarHBondContact OD1-NZ 2.98Å
573	V	97.9	Very high	95.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.2	-42.6	171.2	166.3	0	0	0	0	110.8	L518 A531 L554 L558 R569 F570 E575 I576 A577 F590	L518-V573 HydrophobicContact CD1-CG2 4.39Å; L518-V573 HydrophobicContact CD2-CG2 4.1Å; A531-V573 HydrophobicContact CB-CG2 3.67Å; L554-V573 HydrophobicContact CD1-CG1 4.44Å; L554-V573 HydrophobicContact CD2-CG1 4.2Å; L554-V573 HydrophobicContact CD2-CG2 4.45Å; L558-V573 HydrophobicContact CD1-CG2 4.06Å; R569-V573 WeakPolarHBondContact O-CB 3.41Å; R569-V573 VanDerWaalsContact O-CG2 3.23Å; R569-V573 WeakPolarHBondContact O-CG2 3.37Å; R569-V573 PolarHBondContact O-N 3.26Å; F570-V573 CarbonylContact O-C 3.3Å; F570-V573 WeakPolarHBondContact O-CB 3.27Å; F570-V573 PolarHBondContact O-N 3.12Å; V573-E575 VanDerWaalsContact C-N 3.34Å; V573-E575 PolarHBondContact O-N 3.34Å; V573-I576 PolarHBondContact O-N 3.31Å; V573-A577 WeakPolarHBondContact O-CB 3.25Å; V573-A577 PolarHBondContact O-N 2.96Å; V573-F590 HydrophobicContact CG1-CD1 4.49Å; V573-F590 HydrophobicContact CG1-CE1 3.85Å
574	C	98	Very high	95.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.4	-41.3	175.8	-71.5	0	0	0	0	112	F570 L571 I576 A577 T578 F586 L612	F570-C574 WeakPolarHBondContact CE1-SG 3.45Å; F570-C574 PolarHBondContact O-N 3.08Å; F570-C574 PolarHBondContact O-SG 3.17Å; L571-C574 PolarHBondContact O-N 3.03Å; C574-I576 PolarHBondContact O-N 2.92Å; C574-A577 PolarHBondContact O-N 3.13Å; C574-T578 PolarHBondContact O-N 3Å; C574-F586 HydrophobicContact CB-CE2 4.19Å; C574-F586 HydrophobicContact CB-CZ 4.35Å; C574-F586 VanDerWaalsContact O-CE2 3.29Å; C574-F586 WeakPolarHBondContact O-CE2 3.33Å; C574-L612 HydrophobicContact CB-CD2 3.95Å
575	E	96.1	Very high	95.7	Very high	47 Å²	47	31.1 Å²	31.1	22%	0.22	14%	0.137	C	C	.	.	H	α-helix	trans	-55.5	-51.5	174.3	-167.1	-179.7	161	0	0	110.7	K528 L571 D572 V573 A577 T578 K608 L612 R615	K528-E575 IonicContact NZ-OE2 3.62Å; L571-E575 PolarHBondContact O-N 2.87Å; D572-E575 WeakPolarHBondContact O-CB 3.14Å; D572-E575 PolarHBondContact O-N 3.22Å; V573-E575 VanDerWaalsContact C-N 3.34Å; V573-E575 PolarHBondContact O-N 3.34Å; E575-A577 PolarHBondContact O-N 3.46Å; E575-T578 PolarHBondContact O-N 3.3Å; E575-T578 PolarHBondContact O-OG1 3.39Å; E575-K608 IonicContact OE2-NZ 3.51Å; E575-K608 PolarHBondContact OE2-NZ 3.48Å; E575-L612 HydrophobicContact CB-CD1 3.89Å; E575-L612 HydrophobicContact CG-CD1 4.01Å; E575-R615 VanDerWaalsContact CG-NH1 3.33Å; E575-R615 PolarHBondContact O-NH2 2.93Å; E575-R615 VanDerWaalsContact O-NH2 3.09Å; E575-R615 IonicContact OE1-NH1 2.72Å
576	I	96.9	Very high	95.8	Very high	6 Å²	6	24.6 Å²	24.6	3%	0.031	11%	0.112	C	C	.	.	H	α-helix	trans	-65.7	-35.9	176.6	-67.8	163.4	0	0	0	112.3	K528 A531 R532 D572 V573 C574 T578 E579 I580	K528-I576 HydrophobicContact CB-CD1 4.22Å; K528-I576 VanDerWaalsContact O-CD1 3.26Å; K528-I576 WeakPolarHBondContact O-CD1 3.31Å; A531-I576 HydrophobicContact CB-CD1 3.73Å; R532-I576 HydrophobicContact CB-CG2 4.14Å; R532-I576 HydrophobicContact CG-CG2 4.38Å; D572-I576 WeakPolarHBondContact O-CG1 3.39Å; D572-I576 PolarHBondContact O-N 3Å; D572-I576 VanDerWaalsContact O-N 3.1Å; V573-I576 PolarHBondContact O-N 3.31Å; C574-I576 PolarHBondContact O-N 2.92Å; I576-T578 VanDerWaalsContact C-N 3.28Å; I576-T578 PolarHBondContact O-N 3.46Å; I576-E579 WeakPolarHBondContact O-CA 3.43Å; I576-E579 WeakPolarHBondContact O-CB 3.27Å; I576-E579 PolarHBondContact O-N 3.37Å; I576-I580 HydrophobicContact CG2-CD1 3.64Å; I576-I580 HydrophobicContact CG2-CG1 4.34Å; I576-I580 PolarHBondContact O-N 2.84Å; I576-I580 VanDerWaalsContact O-N 3.12Å
577	A	97.2	Very high	95.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.6	-28.5	-178.9	0	0	0	0	0	112.7	V573 C574 E575 E579 I580 F581 F586 F590	V573-A577 WeakPolarHBondContact O-CB 3.25Å; V573-A577 PolarHBondContact O-N 2.96Å; C574-A577 PolarHBondContact O-N 3.13Å; E575-A577 PolarHBondContact O-N 3.46Å; A577-E579 PolarHBondContact O-N 3.03Å; A577-I580 PolarHBondContact O-N 3.28Å; A577-F581 HydrophobicContact CB-CD2 3.87Å; A577-F581 HydrophobicContact CB-CE2 4.25Å; A577-F581 WeakPolarHBondContact O-CD2 3.29Å; A577-F581 PolarHBondContact O-N 2.93Å; A577-F586 HydrophobicContact CB-CD2 3.79Å; A577-F586 HydrophobicContact CB-CE2 3.95Å; A577-F590 HydrophobicContact CB-CD1 4.08Å; A577-F590 HydrophobicContact CB-CD2 4.02Å; A577-F590 HydrophobicContact CB-CE1 3.93Å; A577-F590 HydrophobicContact CB-CE2 3.85Å; A577-F590 HydrophobicContact CB-CG 4.11Å; A577-F590 HydrophobicContact CB-CZ 3.81Å
578	T	94.3	Very high	95.5	Very high	30 Å²	30	29.2 Å²	29.2	18%	0.184	13%	0.132	C	C	.	.	H	α-helix	trans	-63.8	-27.4	170.5	63.8	0	0	0	0	113	C574 E575 I576 F586 R615 K681	C574-T578 PolarHBondContact O-N 3Å; E575-T578 PolarHBondContact O-N 3.3Å; E575-T578 PolarHBondContact O-OG1 3.39Å; I576-T578 VanDerWaalsContact C-N 3.28Å; I576-T578 PolarHBondContact O-N 3.46Å; T578-F586 HydrophobicContact CG2-CD1 4.19Å; T578-F586 HydrophobicContact CG2-CD2 4.02Å; T578-F586 HydrophobicContact CG2-CE1 3.9Å; T578-F586 HydrophobicContact CG2-CE2 3.72Å; T578-F586 HydrophobicContact CG2-CG 4.25Å; T578-F586 HydrophobicContact CG2-CZ 3.66Å; T578-R615 HydrophobicContact CG2-CG 4.45Å; T578-R615 PolarHBondContact OG1-NE 3.49Å; T578-R615 PolarHBondContact OG1-NH2 3.16Å; T578-K681 PolarHBondContact O-NZ 3.42Å; T578-K681 VanDerWaalsContact O-NZ 3.11Å
579	E	93.4	Very high	95.5	Very high	78 Å²	78	30 Å²	30	36%	0.364	14%	0.135	S	C	.	.	H	α-helix	trans	-81.2	-42.2	177.3	-56.9	170.6	-169.9	0	0	110.5	R532 I576 A577 R615 K681	R532-E579 IonicContact CZ-OE2 3.42Å; R532-E579 VanDerWaalsContact CZ-OE2 3.24Å; R532-E579 IonicContact NH1-OE2 3.69Å; R532-E579 PolarHBondContact NH1-OE2 2.67Å; R532-E579 IonicContact NH2-OE2 3.17Å; R532-E579 PolarHBondContact NH2-OE2 2.88Å; I576-E579 WeakPolarHBondContact O-CA 3.43Å; I576-E579 WeakPolarHBondContact O-CB 3.27Å; I576-E579 PolarHBondContact O-N 3.37Å; A577-E579 PolarHBondContact O-N 3.03Å; E579-R615 IonicContact OE1-CZ 3.66Å; E579-R615 IonicContact OE1-NH1 2.75Å; E579-R615 IonicContact OE1-NH2 2.7Å; E579-R615 PolarHBondContact OE1-NH2 2.97Å; E579-K681 WeakPolarHBondContact O-CE 3.45Å; E579-K681 PolarHBondContact O-NZ 3.22Å
580	I	94.5	Very high	95.6	Very high	15 Å²	15	28.3 Å²	28.3	8%	0.077	13%	0.128	C	C	.	.	H	α-helix	trans	-81.6	-43	-173.6	-67	172.9	0	0	0	113	R532 C535 R539 I576 A577	R532-I580 HydrophobicContact CG-CD1 4.05Å; R532-I580 WeakPolarHBondContact O-CD1 3.46Å; C535-I580 HydrophobicContact CB-CD1 3.38Å; C535-I580 HydrophobicContact CB-CG2 4.36Å; R539-I580 HydrophobicContact CB-CG2 4.09Å; R539-I580 VanDerWaalsContact CD-O 3.32Å; R539-I580 WeakPolarHBondContact CD-O 3.47Å; R539-I580 PolarHBondContact NH1-O 3Å; I576-I580 HydrophobicContact CG2-CD1 3.64Å; I576-I580 HydrophobicContact CG2-CG1 4.34Å; I576-I580 PolarHBondContact O-N 2.84Å; I576-I580 VanDerWaalsContact O-N 3.12Å; A577-I580 PolarHBondContact O-N 3.28Å
581	F	95.7	Very high	95.5	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	13%	0.128	C	C	.	.	S	Bend	trans	-98.9	163.6	-173.4	-62.5	-81	0	0	0	112.3	C535 L538 R539 A577 Y585 F590 K681	C535-F581 HydrophobicContact CB-CE2 3.92Å; C535-F581 HydrophobicContact CB-CZ 4.33Å; C535-F581 WeakPolarHBondContact O-CZ 3.46Å; L538-F581 HydrophobicContact CB-CZ 4.28Å; L538-F581 HydrophobicContact CD2-CE2 4.44Å; L538-F581 HydrophobicContact CD2-CZ 3.76Å; L538-F581 HydrophobicContact CG-CE1 4.29Å; L538-F581 HydrophobicContact CG-CZ 3.81Å; R539-F581 HydrophobicContact CB-CD1 4.27Å; R539-F581 HydrophobicContact CB-CE1 3.64Å; R539-F581 HydrophobicContact CB-CZ 4.16Å; R539-F581 HydrophobicContact CG-CD1 4.47Å; R539-F581 HydrophobicContact CG-CE1 4.29Å; A577-F581 HydrophobicContact CB-CD2 3.87Å; A577-F581 HydrophobicContact CB-CE2 4.25Å; A577-F581 WeakPolarHBondContact O-CD2 3.29Å; A577-F581 PolarHBondContact O-N 2.93Å; F581-Y585 HydrophobicContact CB-CD1 3.89Å; F581-Y585 HydrophobicContact CB-CG 4.36Å; F581-Y585 AromaticContact CD1-CD1 3.34Å; F581-Y585 HydrophobicContact CD1-CD1 3.34Å; F581-Y585 AromaticContact CD1-CE1 3.46Å; F581-Y585 HydrophobicContact CD1-CE1 3.46Å; F581-Y585 VanDerWaalsContact CD1-CE1 3.46Å; F581-Y585 AromaticContact CD1-CG 3.96Å; F581-Y585 HydrophobicContact CD1-CG 3.96Å; F581-Y585 HydrophobicContact CD2-CD1 4.48Å; F581-Y585 AromaticContact CE1-CD1 3.98Å; F581-Y585 HydrophobicContact CE1-CD1 3.98Å; F581-Y585 AromaticContact CE1-CE1 3.57Å; F581-Y585 HydrophobicContact CE1-CE1 3.57Å; F581-Y585 AromaticContact CG-CD1 3.65Å; F581-Y585 HydrophobicContact CG-CD1 3.65Å; F581-Y585 HydrophobicContact CG-CE1 4.03Å; F581-Y585 HydrophobicContact CG-CG 4.42Å; F581-Y585 HydrophobicContact CZ-CE1 4.24Å; F581-F590 AromaticContact CD2-CE2 3.77Å; F581-F590 HydrophobicContact CD2-CE2 3.77Å; F581-F590 HydrophobicContact CD2-CZ 4.25Å; F581-F590 AromaticContact CE2-CE2 3.75Å; F581-F590 HydrophobicContact CE2-CE2 3.75Å; F581-F590 AromaticContact CE2-CZ 3.82Å; F581-F590 HydrophobicContact CE2-CZ 3.82Å; F581-F590 HydrophobicContact CG-CE2 4.43Å; F581-F590 HydrophobicContact CZ-CE2 4.4Å; F581-F590 HydrophobicContact CZ-CZ 4.49Å; F581-K681 WeakPolarHBondContact O-CD 3.35Å; F581-K681 PolarHBondContact O-NZ 3.41Å
582	S	95.1	Very high	95.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.137	C	C	.	.			trans	-65.2	153.1	165.5	76.8	0	0	0	0	110.8	K584 Y585 F586 D678 E685	S582-K584 PolarHBondContact O-N 3.26Å; S582-Y585 PolarHBondContact O-N 2.95Å; S582-Y585 VanDerWaalsContact O-N 3.14Å; S582-Y585 PolarHBondContact OG-N 3.48Å; S582-Y585 VanDerWaalsContact OG-N 3.08Å; S582-F586 WeakPolarHBondContact O-CB 3.12Å; S582-F586 PolarHBondContact O-N 2.97Å; S582-D678 VanDerWaalsContact CA-OD1 3.23Å; S582-D678 WeakPolarHBondContact CA-OD1 3.22Å; S582-E685 WeakPolarHBondContact CB-OE2 3.36Å; S582-E685 PolarHBondContact N-OE1 3.17Å; S582-E685 PolarHBondContact OG-OE2 3.46Å
583	R	93.1	Very high	95.5	Very high	49 Å²	49	29.9 Å²	29.9	19%	0.185	14%	0.137	C	C	.	.	H	α-helix	trans	-50.4	-42.3	171.5	-79.7	-177.4	-66.4	-164.3	-2.8	111.4	F586 N587 S619 D675 D678	R583-F586 PolarHBondContact O-N 2.96Å; R583-N587 WeakPolarHBondContact O-CB 3.39Å; R583-N587 PolarHBondContact O-N 2.87Å; R583-N587 PolarHBondContact O-ND2 3.41Å; R583-N587 PolarHBondContact O-OD1 2.93Å; R583-S619 VanDerWaalsContact CB-O 3.3Å; R583-S619 WeakPolarHBondContact CB-O 3.46Å; R583-S619 WeakPolarHBondContact CD-O 3.47Å; R583-S619 WeakPolarHBondContact CG-O 3.45Å; R583-D675 IonicContact CZ-OD1 3.87Å; R583-D675 IonicContact NH1-OD1 2.72Å; R583-D675 PolarHBondContact NH1-OD1 3.39Å; R583-D675 IonicContact NH2-OD1 3.55Å; R583-D675 PolarHBondContact NH2-OD1 2.77Å; R583-D678 IonicContact CZ-OD2 3.64Å; R583-D678 PolarHBondContact N-OD1 3.17Å; R583-D678 IonicContact NE-OD1 2.88Å; R583-D678 IonicContact NE-OD2 3.27Å; R583-D678 PolarHBondContact NE-OD2 3.21Å; R583-D678 IonicContact NH2-OD2 2.97Å; R583-D678 PolarHBondContact NH2-OD2 3.07Å
584	K	92.6	Very high	95.5	Very high	105 Å²	105	29.9 Å²	29.9	46%	0.457	14%	0.137	S	C	.	.	H	α-helix	trans	-63.1	-45	178.5	-179.8	178.1	172.5	-178.2	0	112.9	S582 K588 E682	S582-K584 PolarHBondContact O-N 3.26Å; K584-K588 VanDerWaalsContact O-CB 3.3Å; K584-K588 WeakPolarHBondContact O-CB 3.33Å; K584-K588 PolarHBondContact O-N 2.98Å; K584-E682 HydrophobicContact CD-CG 4.08Å; K584-E682 WeakPolarHBondContact CD-OE1 3.37Å; K584-E682 WeakPolarHBondContact CE-OE1 3.49Å; K584-E682 IonicContact NZ-OE1 3.55Å; K584-E682 PolarHBondContact NZ-OE1 2.86Å
585	Y	94	Very high	95.5	Very high	36 Å²	36	30.3 Å²	30.3	14%	0.141	14%	0.139	C	C	.	.	H	α-helix	trans	-69.4	-43.4	176.7	-172.6	-75.4	0	0	0	111.2	M551 F581 S582 K588 H589 F590 E685	M551-Y585 HydrophobicContact CE-CE1 3.76Å; F581-Y585 HydrophobicContact CB-CD1 3.89Å; F581-Y585 HydrophobicContact CB-CG 4.36Å; F581-Y585 AromaticContact CD1-CD1 3.34Å; F581-Y585 HydrophobicContact CD1-CD1 3.34Å; F581-Y585 AromaticContact CD1-CE1 3.46Å; F581-Y585 HydrophobicContact CD1-CE1 3.46Å; F581-Y585 VanDerWaalsContact CD1-CE1 3.46Å; F581-Y585 AromaticContact CD1-CG 3.96Å; F581-Y585 HydrophobicContact CD1-CG 3.96Å; F581-Y585 HydrophobicContact CD2-CD1 4.48Å; F581-Y585 AromaticContact CE1-CD1 3.98Å; F581-Y585 HydrophobicContact CE1-CD1 3.98Å; F581-Y585 AromaticContact CE1-CE1 3.57Å; F581-Y585 HydrophobicContact CE1-CE1 3.57Å; F581-Y585 AromaticContact CG-CD1 3.65Å; F581-Y585 HydrophobicContact CG-CD1 3.65Å; F581-Y585 HydrophobicContact CG-CE1 4.03Å; F581-Y585 HydrophobicContact CG-CG 4.42Å; F581-Y585 HydrophobicContact CZ-CE1 4.24Å; S582-Y585 PolarHBondContact O-N 2.95Å; S582-Y585 VanDerWaalsContact O-N 3.14Å; S582-Y585 PolarHBondContact OG-N 3.48Å; S582-Y585 VanDerWaalsContact OG-N 3.08Å; Y585-K588 PolarHBondContact O-N 3.22Å; Y585-H589 AromaticContact CD1-CD2 3.99Å; Y585-H589 HydrophobicContact CE1-CB 4.27Å; Y585-H589 AromaticContact CE1-CD2 3.86Å; Y585-H589 AromaticContact CE2-CD2 3.96Å; Y585-H589 AromaticContact CZ-CD2 3.85Å; Y585-H589 PolarHBondContact O-CD2 3.12Å; Y585-H589 PolarHBondContact O-N 2.86Å; Y585-F590 HydrophobicContact CD1-CE2 4.42Å; Y585-F590 HydrophobicContact CE1-CE2 4.13Å; Y585-E685 WeakPolarHBondContact CB-OE2 3.34Å
586	F	96.2	Very high	95.5	Very high	1 Å²	1	33 Å²	33	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-58.8	-50.6	176.5	179.4	-95.4	0	0	0	112.4	C574 A577 T578 S582 R583 K588 H589 F590 L591 L616	C574-F586 HydrophobicContact CB-CE2 4.19Å; C574-F586 HydrophobicContact CB-CZ 4.35Å; C574-F586 VanDerWaalsContact O-CE2 3.29Å; C574-F586 WeakPolarHBondContact O-CE2 3.33Å; A577-F586 HydrophobicContact CB-CD2 3.79Å; A577-F586 HydrophobicContact CB-CE2 3.95Å; T578-F586 HydrophobicContact CG2-CD1 4.19Å; T578-F586 HydrophobicContact CG2-CD2 4.02Å; T578-F586 HydrophobicContact CG2-CE1 3.9Å; T578-F586 HydrophobicContact CG2-CE2 3.72Å; T578-F586 HydrophobicContact CG2-CG 4.25Å; T578-F586 HydrophobicContact CG2-CZ 3.66Å; S582-F586 WeakPolarHBondContact O-CB 3.12Å; S582-F586 PolarHBondContact O-N 2.97Å; R583-F586 PolarHBondContact O-N 2.96Å; F586-K588 VanDerWaalsContact C-N 3.26Å; F586-K588 PolarHBondContact O-N 2.73Å; F586-H589 PolarHBondContact O-N 2.83Å; F586-F590 HydrophobicContact CD2-CB 3.66Å; F586-F590 AromaticContact CD2-CD2 3.95Å; F586-F590 HydrophobicContact CD2-CD2 3.95Å; F586-F590 HydrophobicContact CD2-CG 4Å; F586-F590 HydrophobicContact CE2-CB 3.5Å; F586-F590 VanDerWaalsContact CE2-CB 3.5Å; F586-F590 HydrophobicContact CE2-CD2 4.49Å; F586-F590 HydrophobicContact CE2-CG 4.09Å; F586-F590 HydrophobicContact CG-CB 4.39Å; F586-F590 HydrophobicContact CZ-CB 4.13Å; F586-F590 PolarHBondContact O-N 3.27Å; F586-L591 HydrophobicContact CE1-CB 4.25Å; F586-L591 HydrophobicContact CE1-CD1 4.43Å; F586-L591 PolarHBondContact O-N 2.7Å; F586-L616 HydrophobicContact CE1-CD2 3.69Å; F586-L616 HydrophobicContact CZ-CD2 3.52Å
587	N	94.8	Very high	95.5	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-61.2	-33.6	179	-71.4	-3.7	0	0	0	112.4	R583 L591 S619 D625 L628	R583-N587 WeakPolarHBondContact O-CB 3.39Å; R583-N587 PolarHBondContact O-N 2.87Å; R583-N587 PolarHBondContact O-ND2 3.41Å; R583-N587 PolarHBondContact O-OD1 2.93Å; N587-L591 HydrophobicContact CB-CD2 4.42Å; N587-S619 PolarHBondContact ND2-O 2.95Å; N587-S619 WeakPolarHBondContact OD1-CB 3.5Å; N587-S619 PolarHBondContact OD1-O 2.75Å; N587-S619 PolarHBondContact OD1-OG 3.41Å; N587-D625 PolarHBondContact ND2-OD2 2.8Å; N587-L628 HydrophobicContact CB-CD1 3.72Å
588	K	93.2	Very high	95.5	Very high	153 Å²	153	33.8 Å²	33.8	67%	0.665	16%	0.156	S	C	*	.	H	α-helix	trans	-75.3	-37.2	177.7	-178.7	-177.1	170.3	-140.3	0	113.5	K584 Y585 F586	K584-K588 VanDerWaalsContact O-CB 3.3Å; K584-K588 WeakPolarHBondContact O-CB 3.33Å; K584-K588 PolarHBondContact O-N 2.98Å; Y585-K588 PolarHBondContact O-N 3.22Å; F586-K588 VanDerWaalsContact C-N 3.26Å; F586-K588 PolarHBondContact O-N 2.73Å
589	H	95.1	Very high	95.6	Very high	48 Å²	48	38.2 Å²	38.2	22%	0.222	18%	0.175	C	C	.	.	H	α-helix	trans	-113.6	-35.3	-166.5	-72.2	-74.8	0	0	0	115.5	M551 Y585 F586	M551-H589 HydrophobicContact CE-CB 3.7Å; M551-H589 HydrophobicContact SD-CB 4.03Å; Y585-H589 AromaticContact CD1-CD2 3.99Å; Y585-H589 HydrophobicContact CE1-CB 4.27Å; Y585-H589 AromaticContact CE1-CD2 3.86Å; Y585-H589 AromaticContact CE2-CD2 3.96Å; Y585-H589 AromaticContact CZ-CD2 3.85Å; Y585-H589 PolarHBondContact O-CD2 3.12Å; Y585-H589 PolarHBondContact O-N 2.86Å; F586-H589 PolarHBondContact O-N 2.83Å
590	F	97.4	Very high	95.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-37.4	-173.8	-69.7	-88.7	0	0	0	113.6	L538 M551 L554 F570 V573 A577 F581 Y585 F586 I592 P593 A594	L538-F590 HydrophobicContact CD2-CZ 4.35Å; M551-F590 HydrophobicContact CE-CD2 4.4Å; M551-F590 HydrophobicContact CE-CE2 3.7Å; M551-F590 HydrophobicContact CE-CZ 3.8Å; M551-F590 HydrophobicContact SD-CE1 4.22Å; M551-F590 HydrophobicContact SD-CE2 4.25Å; M551-F590 HydrophobicContact SD-CZ 4.02Å; L554-F590 HydrophobicContact CD1-CE1 4.12Å; L554-F590 HydrophobicContact CD1-CZ 4.34Å; F570-F590 HydrophobicContact CE2-CD1 4.36Å; F570-F590 HydrophobicContact CZ-CD1 4.26Å; V573-F590 HydrophobicContact CG1-CD1 4.49Å; V573-F590 HydrophobicContact CG1-CE1 3.85Å; A577-F590 HydrophobicContact CB-CD1 4.08Å; A577-F590 HydrophobicContact CB-CD2 4.02Å; A577-F590 HydrophobicContact CB-CE1 3.93Å; A577-F590 HydrophobicContact CB-CE2 3.85Å; A577-F590 HydrophobicContact CB-CG 4.11Å; A577-F590 HydrophobicContact CB-CZ 3.81Å; F581-F590 AromaticContact CD2-CE2 3.77Å; F581-F590 HydrophobicContact CD2-CE2 3.77Å; F581-F590 HydrophobicContact CD2-CZ 4.25Å; F581-F590 AromaticContact CE2-CE2 3.75Å; F581-F590 HydrophobicContact CE2-CE2 3.75Å; F581-F590 AromaticContact CE2-CZ 3.82Å; F581-F590 HydrophobicContact CE2-CZ 3.82Å; F581-F590 HydrophobicContact CG-CE2 4.43Å; F581-F590 HydrophobicContact CZ-CE2 4.4Å; F581-F590 HydrophobicContact CZ-CZ 4.49Å; Y585-F590 HydrophobicContact CD1-CE2 4.42Å; Y585-F590 HydrophobicContact CE1-CE2 4.13Å; F586-F590 HydrophobicContact CD2-CB 3.66Å; F586-F590 AromaticContact CD2-CD2 3.95Å; F586-F590 HydrophobicContact CD2-CD2 3.95Å; F586-F590 HydrophobicContact CD2-CG 4Å; F586-F590 HydrophobicContact CE2-CB 3.5Å; F586-F590 VanDerWaalsContact CE2-CB 3.5Å; F586-F590 HydrophobicContact CE2-CD2 4.49Å; F586-F590 HydrophobicContact CE2-CG 4.09Å; F586-F590 HydrophobicContact CG-CB 4.39Å; F586-F590 HydrophobicContact CZ-CB 4.13Å; F586-F590 PolarHBondContact O-N 3.27Å; F590-I592 PolarHBondContact O-N 3.46Å; F590-P593 WeakPolarHBondContact O-CD 3.41Å; F590-A594 WeakPolarHBondContact O-CB 3.45Å; F590-A594 PolarHBondContact O-N 2.77Å; F590-A594 VanDerWaalsContact O-N 3.07Å
591	L	96.8	Very high	95.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.4	-42.4	-170.1	178	65.8	0	0	0	113.4	F586 N587 A594 L595 L616 L620 L628	F586-L591 HydrophobicContact CE1-CB 4.25Å; F586-L591 HydrophobicContact CE1-CD1 4.43Å; F586-L591 PolarHBondContact O-N 2.7Å; N587-L591 HydrophobicContact CB-CD2 4.42Å; L591-A594 PolarHBondContact O-N 3.35Å; L591-L595 HydrophobicContact CD1-CD1 3.94Å; L591-L595 HydrophobicContact CD1-CG 4.06Å; L591-L595 HydrophobicContact CG-CD1 4Å; L591-L595 HydrophobicContact CG-CG 4.44Å; L591-L595 WeakPolarHBondContact O-CG 3.32Å; L591-L595 PolarHBondContact O-N 2.96Å; L591-L616 HydrophobicContact CD1-CB 3.89Å; L591-L616 HydrophobicContact CD1-CD1 4.16Å; L591-L616 HydrophobicContact CD1-CD2 4.02Å; L591-L616 HydrophobicContact CD1-CG 4.23Å; L591-L620 HydrophobicContact CD2-CD2 3.67Å; L591-L628 HydrophobicContact CD2-CB 4.01Å; L591-L628 HydrophobicContact CD2-CD1 4.15Å; L591-L628 HydrophobicContact CD2-CD2 4.49Å; L591-L628 HydrophobicContact CD2-CG 4.46Å
592	I	96.1	Very high	96	Very high	37 Å²	37	41.5 Å²	41.5	19%	0.19	20%	0.202	C	C	.	.	H	α-helix	trans	-68.3	-52.7	-177.3	-59.5	-54.5	0	0	0	111.9	F590 A594 L595 E596 L628 K631	F590-I592 PolarHBondContact O-N 3.46Å; I592-A594 PolarHBondContact O-N 3.2Å; I592-L595 PolarHBondContact O-N 3.2Å; I592-L595 VanDerWaalsContact O-N 3.17Å; I592-E596 WeakPolarHBondContact CG2-OE1 3.35Å; I592-E596 WeakPolarHBondContact O-CG 3.37Å; I592-E596 PolarHBondContact O-N 3.39Å; I592-L628 HydrophobicContact CD1-CD2 3.79Å; I592-L628 HydrophobicContact CG1-CD2 4.44Å; I592-K631 HydrophobicContact CD1-CD 3.51Å
593	P	97.3	Very high	96.1	Very high	17 Å²	17	42.3 Å²	42.3	11%	0.11	21%	0.21	C	C	.	.	H	α-helix	trans	-56.6	-32.2	172.2	-26.9	34.8	0	0	0	114.1	I555 A559 F570 F590	I555-P593 HydrophobicContact CD1-CG 4.02Å; I555-P593 HydrophobicContact CG1-CG 4.1Å; A559-P593 HydrophobicContact CB-CB 4.25Å; F570-P593 HydrophobicContact CE1-CB 3.8Å; F570-P593 HydrophobicContact CZ-CB 3.76Å; F590-P593 WeakPolarHBondContact O-CD 3.41Å
594	A	97.8	Very high	96.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-68.9	-45.4	176.4	0	0	0	0	0	112	F570 L571 F590 L591 I592 E596 L597 L609 L616	F570-A594 HydrophobicContact CE1-CB 4.17Å; L571-A594 HydrophobicContact CD2-CB 4.38Å; F590-A594 WeakPolarHBondContact O-CB 3.45Å; F590-A594 PolarHBondContact O-N 2.77Å; F590-A594 VanDerWaalsContact O-N 3.07Å; L591-A594 PolarHBondContact O-N 3.35Å; I592-A594 PolarHBondContact O-N 3.2Å; A594-E596 VanDerWaalsContact C-N 3.31Å; A594-E596 PolarHBondContact O-N 2.93Å; A594-L597 WeakPolarHBondContact O-CB 3.29Å; A594-L597 PolarHBondContact O-N 2.96Å; A594-L609 WeakPolarHBondContact O-CD1 3.37Å; A594-L609 WeakPolarHBondContact O-CD2 3.28Å; A594-L616 HydrophobicContact CB-CD1 4.5Å
595	L	97.6	Very high	96.6	Very high	10 Å²	10	39.5 Å²	39.5	5%	0.052	20%	0.203	C	C	.	.	H	α-helix	trans	-67.5	-30	177.3	-69.8	175.2	0	0	0	112.4	L591 I592 L597 V598 L613 L616 K631 L632 C635	L591-L595 HydrophobicContact CD1-CD1 3.94Å; L591-L595 HydrophobicContact CD1-CG 4.06Å; L591-L595 HydrophobicContact CG-CD1 4Å; L591-L595 HydrophobicContact CG-CG 4.44Å; L591-L595 WeakPolarHBondContact O-CG 3.32Å; L591-L595 PolarHBondContact O-N 2.96Å; I592-L595 PolarHBondContact O-N 3.2Å; I592-L595 VanDerWaalsContact O-N 3.17Å; L595-L597 PolarHBondContact O-N 2.79Å; L595-V598 WeakPolarHBondContact O-CB 3.28Å; L595-V598 WeakPolarHBondContact O-CG1 3.38Å; L595-V598 PolarHBondContact O-N 3Å; L595-V598 VanDerWaalsContact O-N 3.17Å; L595-L613 HydrophobicContact CD2-CD2 3.87Å; L595-L616 HydrophobicContact CD2-CD1 4.12Å; L595-K631 HydrophobicContact CD1-CB 4.22Å; L595-L632 HydrophobicContact CD1-CB 4.26Å; L595-L632 HydrophobicContact CD2-CB 4.45Å; L595-L632 HydrophobicContact CD2-CG 4.37Å; L595-C635 HydrophobicContact CD2-CB 3.95Å
596	E	96.6	Very high	96.8	Very high	103 Å²	103	39.3 Å²	39.3	48%	0.481	20%	0.202	S	C	.	.	H	α-helix	trans	-59.8	-28.1	176.4	-77.1	170.3	-175.3	0	0	112.8	I592 A594 V598 H599	I592-E596 WeakPolarHBondContact CG2-OE1 3.35Å; I592-E596 WeakPolarHBondContact O-CG 3.37Å; I592-E596 PolarHBondContact O-N 3.39Å; A594-E596 VanDerWaalsContact C-N 3.31Å; A594-E596 PolarHBondContact O-N 2.93Å; E596-V598 PolarHBondContact O-N 2.93Å; E596-H599 WeakPolarHBondContact O-CB 3.37Å; E596-H599 PolarHBondContact O-N 2.86Å; E596-H599 PolarHBondContact O-ND1 3.29Å; E596-H599 VanDerWaalsContact O-ND1 3.13Å
597	L	97.6	Very high	96.9	Very high	13 Å²	13	43.2 Å²	43.2	7%	0.068	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-64.4	-3.9	176	-64.9	173.6	0	0	0	114.7	R567 F570 L571 A594 L595 H599 D600 V605 L609	R567-L597 HydrophobicContact CB-CD2 4.13Å; R567-L597 HydrophobicContact CG-CD2 4.37Å; F570-L597 HydrophobicContact CD1-CD1 4.2Å; L571-L597 HydrophobicContact CD1-CD1 4.14Å; L571-L597 HydrophobicContact CD2-CD1 3.91Å; L571-L597 HydrophobicContact CG-CD1 3.85Å; A594-L597 WeakPolarHBondContact O-CB 3.29Å; A594-L597 PolarHBondContact O-N 2.96Å; L595-L597 PolarHBondContact O-N 2.79Å; L597-H599 PolarHBondContact O-N 2.97Å; L597-D600 VanDerWaalsContact O-CB 3.29Å; L597-D600 WeakPolarHBondContact O-CB 3.41Å; L597-D600 PolarHBondContact O-N 3.22Å; L597-V605 HydrophobicContact CB-CG1 4.23Å; L597-V605 HydrophobicContact CD1-CG1 4.11Å; L597-V605 HydrophobicContact CD2-CG1 4.33Å; L597-V605 HydrophobicContact CG-CG1 4.46Å; L597-L609 HydrophobicContact CB-CD2 4.11Å
598	V	96.9	Very high	97	Very high	9 Å²	9	44.5 Å²	44.5	6%	0.055	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-64.9	-0.5	161	74.3	0	0	0	0	113.1	L595 E596 L609 C635 K638 F639	L595-V598 WeakPolarHBondContact O-CB 3.28Å; L595-V598 WeakPolarHBondContact O-CG1 3.38Å; L595-V598 PolarHBondContact O-N 3Å; L595-V598 VanDerWaalsContact O-N 3.17Å; E596-V598 PolarHBondContact O-N 2.93Å; V598-L609 HydrophobicContact CB-CD2 4.08Å; V598-L609 VanDerWaalsContact N-CD2 3.31Å; V598-C635 VanDerWaalsContact CB-SG 3.57Å; V598-K638 HydrophobicContact CG1-CD 4.2Å; V598-K638 HydrophobicContact CG2-CB 4.19Å; V598-K638 HydrophobicContact CG2-CD 4.07Å; V598-K638 HydrophobicContact CG2-CG 4.19Å; V598-K638 PolarHBondContact O-NZ 2.7Å; V598-K638 VanDerWaalsContact O-NZ 3.11Å; V598-F639 HydrophobicContact CB-CE2 4.16Å; V598-F639 HydrophobicContact CB-CZ 4.01Å; V598-F639 HydrophobicContact CG2-CD1 4.01Å; V598-F639 HydrophobicContact CG2-CD2 3.83Å; V598-F639 HydrophobicContact CG2-CE1 3.75Å; V598-F639 HydrophobicContact CG2-CE2 3.6Å; V598-F639 HydrophobicContact CG2-CG 4.05Å; V598-F639 HydrophobicContact CG2-CZ 3.57Å
599	H	95.6	Very high	97.2	Very high	124 Å²	124	37.2 Å²	37.2	57%	0.574	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-108.4	2	172.8	-59.5	60.6	0	0	0	112.6	E596 L597 K638	E596-H599 WeakPolarHBondContact O-CB 3.37Å; E596-H599 PolarHBondContact O-N 2.86Å; E596-H599 PolarHBondContact O-ND1 3.29Å; E596-H599 VanDerWaalsContact O-ND1 3.13Å; L597-H599 PolarHBondContact O-N 2.97Å; H599-K638 PolarHBondContact CD2-NZ 3.46Å; H599-K638 PolarHBondContact CE1-NZ 3.21Å; H599-K638 PolarHBondContact ND1-NZ 3.1Å; H599-K638 PolarHBondContact NE2-NZ 3.16Å
600	D	97.8	Very high	97.3	Very high	8 Å²	8	34.9 Å²	34.9	4%	0.043	18%	0.18	C	C	.	.			trans	-64.5	133	-177	-160.7	-52.4	0	0	0	112	R567 L597 V602 V605 R606	R567-D600 IonicContact CZ-OD1 3.03Å; R567-D600 IonicContact CZ-OD2 3.53Å; R567-D600 IonicContact NE-OD1 3.82Å; R567-D600 IonicContact NE-OD2 3.47Å; R567-D600 PolarHBondContact NE-OD2 3.3Å; R567-D600 IonicContact NH2-OD1 3.82Å; R567-D600 PolarHBondContact NH2-OD1 3.03Å; R567-D600 IonicContact NH2-OD2 2.7Å; R567-D600 PolarHBondContact NH2-OD2 3.47Å; L597-D600 VanDerWaalsContact O-CB 3.29Å; L597-D600 WeakPolarHBondContact O-CB 3.41Å; L597-D600 PolarHBondContact O-N 3.22Å; D600-V602 PolarHBondContact O-N 3.33Å; D600-V602 PolarHBondContact OD1-N 2.93Å; D600-V605 HydrophobicContact CB-CB 4.08Å; D600-V605 HydrophobicContact CB-CG1 4.2Å; D600-V605 WeakPolarHBondContact OD2-CB 3.05Å; D600-V605 VanDerWaalsContact OD2-CG1 3.3Å; D600-V605 WeakPolarHBondContact OD2-CG1 3.33Å; D600-V605 WeakPolarHBondContact OD2-CG2 3.27Å; D600-R606 HydrophobicContact CB-CG 4.11Å; D600-R606 VanDerWaalsContact O-CD 3.28Å; D600-R606 WeakPolarHBondContact O-CD 3.46Å; D600-R606 PolarHBondContact O-NH1 3.07Å
601	P	96.3	Very high	97.2	Very high	112 Å²	112	39.4 Å²	39.4	73%	0.727	20%	0.201	S	C	*	.	S	Bend	trans	-61.1	-27.9	173.5	23.9	-34.5	0	0	0	113.9	R606	P601-R606 PolarHBondContact O-NH1 3.33Å
602	V	97.9	Very high	97.2	Very high	42 Å²	42	39.7 Å²	39.7	26%	0.255	20%	0.203	S	C	.	.			trans	-92	121.3	-172.9	-178.2	0	0	0	0	111.9	Y564 D600 N604 V605 R606	Y564-V602 HydrophobicContact CD1-CG1 4.47Å; Y564-V602 HydrophobicContact CD1-CG2 4.49Å; Y564-V602 HydrophobicContact CD2-CG1 4.02Å; Y564-V602 HydrophobicContact CG-CB 4.44Å; Y564-V602 HydrophobicContact CG-CG1 3.97Å; Y564-V602 HydrophobicContact CG-CG2 4.26Å; D600-V602 PolarHBondContact O-N 3.33Å; D600-V602 PolarHBondContact OD1-N 2.93Å; V602-N604 VanDerWaalsContact C-N 3.3Å; V602-N604 HydrophobicContact CG1-CB 4.24Å; V602-N604 PolarHBondContact O-N 3.47Å; V602-V605 HydrophobicContact CB-CG2 4.22Å; V602-V605 HydrophobicContact CG1-CG2 4.48Å; V602-V605 PolarHBondContact O-N 2.9Å; V602-V605 VanDerWaalsContact O-N 3.13Å; V602-R606 PolarHBondContact O-N 3.13Å
603	A	97.6	Very high	97.2	Very high	18 Å²	18	37.9 Å²	37.9	15%	0.149	19%	0.194	C	C	.	.	H	α-helix	trans	-54.5	-41.2	-178.7	0	0	0	0	0	113.3	V605 R606 Y607 D645 V648	A603-V605 VanDerWaalsContact C-N 3.27Å; A603-V605 PolarHBondContact O-N 3.42Å; A603-R606 CarbonylContact O-C 3.6Å; A603-R606 WeakPolarHBondContact O-CA 3.43Å; A603-R606 WeakPolarHBondContact O-CB 3.45Å; A603-R606 PolarHBondContact O-N 3.31Å; A603-R606 VanDerWaalsContact O-N 3.08Å; A603-Y607 WeakPolarHBondContact O-CB 3.46Å; A603-Y607 PolarHBondContact O-N 3.17Å; A603-D645 HydrophobicContact CB-CB 4.06Å; A603-D645 VanDerWaalsContact CB-OD2 3.24Å; A603-D645 WeakPolarHBondContact CB-OD2 3.43Å; A603-V648 HydrophobicContact CB-CG2 4.12Å
604	N	97.8	Very high	97	Very high	94 Å²	94	38 Å²	38	50%	0.503	19%	0.194	S	C	.	.	H	α-helix	trans	-59	-34.9	-179.6	-58.8	23	0	0	0	113.1	V602 K608	V602-N604 VanDerWaalsContact C-N 3.3Å; V602-N604 HydrophobicContact CG1-CB 4.24Å; V602-N604 PolarHBondContact O-N 3.47Å; N604-K608 PolarHBondContact O-N 3.15Å; N604-K608 VanDerWaalsContact O-N 3.07Å
605	V	98.1	Very high	96.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-71.5	-44.3	176.6	-172.3	0	0	0	0	110	Y564 R567 L568 L571 L597 D600 V602 A603 Y607 K608 L609	Y564-V605 HydrophobicContact CD2-CG2 4.41Å; R567-V605 HydrophobicContact CB-CG1 4.09Å; R567-V605 HydrophobicContact CB-CG2 4.29Å; L568-V605 HydrophobicContact CD2-CG2 4.27Å; L568-V605 HydrophobicContact CG-CG2 4.13Å; L571-V605 HydrophobicContact CD1-CG1 3.8Å; L571-V605 WeakPolarHBondContact CD1-O 3.25Å; L597-V605 HydrophobicContact CB-CG1 4.23Å; L597-V605 HydrophobicContact CD1-CG1 4.11Å; L597-V605 HydrophobicContact CD2-CG1 4.33Å; L597-V605 HydrophobicContact CG-CG1 4.46Å; D600-V605 HydrophobicContact CB-CB 4.08Å; D600-V605 HydrophobicContact CB-CG1 4.2Å; D600-V605 WeakPolarHBondContact OD2-CB 3.05Å; D600-V605 VanDerWaalsContact OD2-CG1 3.3Å; D600-V605 WeakPolarHBondContact OD2-CG1 3.33Å; D600-V605 WeakPolarHBondContact OD2-CG2 3.27Å; V602-V605 HydrophobicContact CB-CG2 4.22Å; V602-V605 HydrophobicContact CG1-CG2 4.48Å; V602-V605 PolarHBondContact O-N 2.9Å; V602-V605 VanDerWaalsContact O-N 3.13Å; A603-V605 VanDerWaalsContact C-N 3.27Å; A603-V605 PolarHBondContact O-N 3.42Å; V605-Y607 VanDerWaalsContact C-N 3.32Å; V605-Y607 PolarHBondContact O-N 3.32Å; V605-K608 PolarHBondContact O-N 3.47Å; V605-L609 PolarHBondContact O-N 2.84Å
606	R	98.1	Very high	96.5	Very high	33 Å²	33	41.1 Å²	41.1	13%	0.125	21%	0.206	C	C	.	.	H	α-helix	trans	-60.3	-39.4	175.3	-66.8	-155.8	-50.9	-77.6	-0.7	112.4	D600 P601 V602 A603 L609 C610 F639 E643 V648	D600-R606 HydrophobicContact CB-CG 4.11Å; D600-R606 VanDerWaalsContact O-CD 3.28Å; D600-R606 WeakPolarHBondContact O-CD 3.46Å; D600-R606 PolarHBondContact O-NH1 3.07Å; P601-R606 PolarHBondContact O-NH1 3.33Å; V602-R606 PolarHBondContact O-N 3.13Å; A603-R606 CarbonylContact O-C 3.6Å; A603-R606 WeakPolarHBondContact O-CA 3.43Å; A603-R606 WeakPolarHBondContact O-CB 3.45Å; A603-R606 PolarHBondContact O-N 3.31Å; A603-R606 VanDerWaalsContact O-N 3.08Å; R606-L609 PolarHBondContact O-N 3.48Å; R606-C610 PolarHBondContact O-N 3.44Å; R606-C610 PolarHBondContact O-SG 3.37Å; R606-F639 HydrophobicContact CB-CE1 3.85Å; R606-F639 HydrophobicContact CB-CZ 4.33Å; R606-F639 HydrophobicContact CG-CE1 4.28Å; R606-E643 IonicContact CZ-OE1 3.95Å; R606-E643 IonicContact CZ-OE2 2.87Å; R606-E643 IonicContact NE-OE1 3.72Å; R606-E643 IonicContact NE-OE2 3.56Å; R606-E643 PolarHBondContact NE-OE2 3.04Å; R606-E643 IonicContact NH2-OE1 3.85Å; R606-E643 PolarHBondContact NH2-OE1 3.43Å; R606-E643 IonicContact NH2-OE2 3.67Å; R606-E643 PolarHBondContact NH2-OE2 3.39Å; R606-V648 HydrophobicContact CB-CG1 4.19Å; R606-V648 HydrophobicContact CB-CG2 4.26Å
607	Y	98	Very high	96.3	Very high	82 Å²	82	38.4 Å²	38.4	32%	0.322	19%	0.191	S	C	.	.	H	α-helix	trans	-63.1	-52.1	174.2	-174.3	-89.7	0	0	0	112.2	A603 V605 L609 C610 Q611 D647 M651	A603-Y607 WeakPolarHBondContact O-CB 3.46Å; A603-Y607 PolarHBondContact O-N 3.17Å; V605-Y607 VanDerWaalsContact C-N 3.32Å; V605-Y607 PolarHBondContact O-N 3.32Å; Y607-L609 VanDerWaalsContact C-N 3.27Å; Y607-L609 PolarHBondContact O-N 3.43Å; Y607-C610 WeakPolarHBondContact O-CB 3.41Å; Y607-C610 PolarHBondContact O-N 2.94Å; Y607-C610 VanDerWaalsContact O-N 3.13Å; Y607-Q611 HydrophobicContact CD1-CG 4.37Å; Y607-Q611 HydrophobicContact CE1-CG 4.22Å; Y607-Q611 PolarHBondContact O-N 3.46Å; Y607-D647 HydrophobicContact CD2-CB 4.3Å; Y607-D647 HydrophobicContact CE2-CB 4.24Å; Y607-M651 HydrophobicContact CD2-CB 3.9Å; Y607-M651 HydrophobicContact CD2-CG 4.35Å; Y607-M651 HydrophobicContact CE1-CE 4.08Å; Y607-M651 HydrophobicContact CE2-CB 3.77Å; Y607-M651 HydrophobicContact CE2-CE 3.79Å; Y607-M651 HydrophobicContact CE2-CG 4.23Å; Y607-M651 VanDerWaalsContact CZ-CE 3.43Å; Y607-M651 WeakPolarHBondContact OH-CE 3.41Å
608	K	97.6	Very high	95.9	Very high	31 Å²	31	41.1 Å²	41.1	14%	0.135	21%	0.211	C	C	.	.	H	α-helix	trans	-61.1	-35.1	176.2	173.7	70.5	-167.8	-162.2	0	111.6	L568 L571 D572 E575 N604 V605 Q611 L612	L568-K608 HydrophobicContact CD2-CB 3.73Å; L568-K608 HydrophobicContact CD2-CG 4.09Å; L571-K608 HydrophobicContact CB-CG 3.71Å; L571-K608 HydrophobicContact CD1-CB 3.94Å; L571-K608 HydrophobicContact CD1-CG 3.68Å; L571-K608 HydrophobicContact CG-CG 4.34Å; D572-K608 IonicContact OD1-NZ 3.83Å; D572-K608 PolarHBondContact OD1-NZ 2.98Å; E575-K608 IonicContact OE2-NZ 3.51Å; E575-K608 PolarHBondContact OE2-NZ 3.48Å; N604-K608 PolarHBondContact O-N 3.15Å; N604-K608 VanDerWaalsContact O-N 3.07Å; V605-K608 PolarHBondContact O-N 3.47Å; K608-Q611 PolarHBondContact O-N 2.93Å; K608-L612 PolarHBondContact O-N 3.05Å
609	L	97.9	Very high	95.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.1	-46.5	172.9	176.7	58.6	0	0	0	111	L571 A594 L597 V598 V605 R606 Y607 Q611 L612 L613 L616 F639	L571-L609 HydrophobicContact CD1-CB 4.1Å; L571-L609 HydrophobicContact CD2-CB 4.34Å; L571-L609 HydrophobicContact CD2-CD1 3.99Å; A594-L609 WeakPolarHBondContact O-CD1 3.37Å; A594-L609 WeakPolarHBondContact O-CD2 3.28Å; L597-L609 HydrophobicContact CB-CD2 4.11Å; V598-L609 HydrophobicContact CB-CD2 4.08Å; V598-L609 VanDerWaalsContact N-CD2 3.31Å; V605-L609 PolarHBondContact O-N 2.84Å; R606-L609 PolarHBondContact O-N 3.48Å; Y607-L609 VanDerWaalsContact C-N 3.27Å; Y607-L609 PolarHBondContact O-N 3.43Å; L609-Q611 VanDerWaalsContact C-N 3.3Å; L609-Q611 PolarHBondContact O-N 3.04Å; L609-L612 WeakPolarHBondContact O-CA 3.37Å; L609-L612 PolarHBondContact O-N 3.36Å; L609-L613 WeakPolarHBondContact O-CG 3.44Å; L609-L613 PolarHBondContact O-N 3.47Å; L609-L613 VanDerWaalsContact O-N 3.09Å; L609-L616 HydrophobicContact CD1-CD1 4.01Å; L609-F639 HydrophobicContact CB-CZ 4.43Å; L609-F639 HydrophobicContact CD2-CE2 4.13Å; L609-F639 HydrophobicContact CD2-CZ 3.97Å; L609-F639 HydrophobicContact CG-CE2 4.24Å; L609-F639 HydrophobicContact CG-CZ 4.24Å
610	C	96.8	Very high	95.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-54.7	-46	175.3	-67.7	0	0	0	0	111.8	R606 Y607 L612 L613 F639 M651 T655	R606-C610 PolarHBondContact O-N 3.44Å; R606-C610 PolarHBondContact O-SG 3.37Å; Y607-C610 WeakPolarHBondContact O-CB 3.41Å; Y607-C610 PolarHBondContact O-N 2.94Å; Y607-C610 VanDerWaalsContact O-N 3.13Å; C610-L612 PolarHBondContact O-N 2.98Å; C610-L613 PolarHBondContact O-N 3.48Å; C610-F639 VanDerWaalsContact SG-CE2 3.52Å; C610-F639 VanDerWaalsContact SG-CZ 3.53Å; C610-M651 HydrophobicContact CB-CB 4.39Å; C610-M651 HydrophobicContact CB-CG 3.7Å; C610-T655 VanDerWaalsContact O-CG2 3.24Å; C610-T655 WeakPolarHBondContact O-CG2 3.5Å; C610-T655 PolarHBondContact O-OG1 3.47Å
611	Q	96.1	Very high	94.6	Very high	94 Å²	94	39 Å²	39	44%	0.439	20%	0.199	S	C	.	.	H	α-helix	trans	-60	-28.5	175.3	-68.2	-177.2	-53.6	0	0	113.6	Y607 K608 L609 M651	Y607-Q611 HydrophobicContact CD1-CG 4.37Å; Y607-Q611 HydrophobicContact CE1-CG 4.22Å; Y607-Q611 PolarHBondContact O-N 3.46Å; K608-Q611 PolarHBondContact O-N 2.93Å; L609-Q611 VanDerWaalsContact C-N 3.3Å; L609-Q611 PolarHBondContact O-N 3.04Å; Q611-M651 HydrophobicContact CG-CE 3.84Å; Q611-M651 HydrophobicContact CG-CG 4.01Å; Q611-M651 HydrophobicContact CG-SD 3.73Å
612	L	95.9	Very high	93.9	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-86.8	-22	-178.4	-162.7	65.1	0	0	0	113.1	L571 C574 E575 K608 L609 C610 P614 R615 L616	L571-L612 HydrophobicContact CB-CD2 4.47Å; L571-L612 HydrophobicContact CD2-CD2 4.09Å; C574-L612 HydrophobicContact CB-CD2 3.95Å; E575-L612 HydrophobicContact CB-CD1 3.89Å; E575-L612 HydrophobicContact CG-CD1 4.01Å; K608-L612 PolarHBondContact O-N 3.05Å; L609-L612 WeakPolarHBondContact O-CA 3.37Å; L609-L612 PolarHBondContact O-N 3.36Å; C610-L612 PolarHBondContact O-N 2.98Å; L612-P614 VanDerWaalsContact C-CD 3.42Å; L612-R615 HydrophobicContact CD1-CB 4.3Å; L612-R615 WeakPolarHBondContact O-CA 3.22Å; L612-R615 WeakPolarHBondContact O-CB 3.37Å; L612-R615 PolarHBondContact O-N 3.18Å; L612-L616 HydrophobicContact CD2-CD1 4.46Å; L612-L616 HydrophobicContact CD2-CD2 4.17Å; L612-L616 HydrophobicContact CD2-CG 4.4Å; L612-L616 HydrophobicContact CG-CD1 4.43Å; L612-L616 HydrophobicContact CG-CD2 4.17Å; L612-L616 HydrophobicContact CG-CG 4.06Å; L612-L616 WeakPolarHBondContact O-CG 3.24Å; L612-L616 PolarHBondContact O-N 3.01Å
613	L	96	Very high	93.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-50.4	-40.2	-175.7	-72	171.7	0	0	0	115.4	L595 L609 C610 R615 L616 R617 L632 V636 F639 I652 T655	L595-L613 HydrophobicContact CD2-CD2 3.87Å; L609-L613 WeakPolarHBondContact O-CG 3.44Å; L609-L613 PolarHBondContact O-N 3.47Å; L609-L613 VanDerWaalsContact O-N 3.09Å; C610-L613 PolarHBondContact O-N 3.48Å; L613-R615 VanDerWaalsContact C-N 3.31Å; L613-R615 PolarHBondContact O-N 3.34Å; L613-L616 HydrophobicContact CD2-CD1 4.41Å; L613-L616 CarbonylContact O-C 3.57Å; L613-L616 PolarHBondContact O-N 2.87Å; L613-R617 PolarHBondContact O-N 3.26Å; L613-L632 HydrophobicContact CD2-CG 4.31Å; L613-V636 HydrophobicContact CD1-CG2 3.98Å; L613-F639 HydrophobicContact CD1-CD2 4.12Å; L613-F639 HydrophobicContact CD1-CE2 4.11Å; L613-I652 HydrophobicContact CD1-CD1 3.78Å; L613-T655 HydrophobicContact CB-CG2 3.93Å; L613-T655 HydrophobicContact CD1-CG2 4.3Å
614	P	93.4	Very high	92.6	Very high	19 Å²	19	45.5 Å²	45.5	12%	0.123	24%	0.241	C	C	.	.	H	α-helix	trans	-63.2	-38.6	177.2	-22.1	35.3	0	0	0	112.2	L612 L616 R617 S618 T655 E658 L659 L662	L612-P614 VanDerWaalsContact C-CD 3.42Å; P614-L616 VanDerWaalsContact C-N 3.34Å; P614-R617 PolarHBondContact O-N 3.4Å; P614-S618 PolarHBondContact O-N 3.06Å; P614-T655 HydrophobicContact CG-CG2 3.9Å; P614-E658 HydrophobicContact CG-CB 4.4Å; P614-L659 HydrophobicContact CB-CD2 4.42Å; P614-L659 HydrophobicContact CG-CD2 4.49Å; P614-L662 HydrophobicContact CB-CD1 3.98Å; P614-L662 WeakPolarHBondContact O-CD1 3.34Å
615	R	91.6	Very high	92.2	Very high	76 Å²	76	42.5 Å²	42.5	29%	0.287	23%	0.225	S	C	.	.	H	α-helix	trans	-73	-25.8	176.2	-167.4	171.7	177.8	156.4	3.3	112.5	E575 T578 E579 L612 L613 S618	E575-R615 VanDerWaalsContact CG-NH1 3.33Å; E575-R615 PolarHBondContact O-NH2 2.93Å; E575-R615 VanDerWaalsContact O-NH2 3.09Å; E575-R615 IonicContact OE1-NH1 2.72Å; T578-R615 HydrophobicContact CG2-CG 4.45Å; T578-R615 PolarHBondContact OG1-NE 3.49Å; T578-R615 PolarHBondContact OG1-NH2 3.16Å; E579-R615 IonicContact OE1-CZ 3.66Å; E579-R615 IonicContact OE1-NH1 2.75Å; E579-R615 IonicContact OE1-NH2 2.7Å; E579-R615 PolarHBondContact OE1-NH2 2.97Å; L612-R615 HydrophobicContact CD1-CB 4.3Å; L612-R615 WeakPolarHBondContact O-CA 3.22Å; L612-R615 WeakPolarHBondContact O-CB 3.37Å; L612-R615 PolarHBondContact O-N 3.18Å; L613-R615 VanDerWaalsContact C-N 3.31Å; L613-R615 PolarHBondContact O-N 3.34Å; R615-S618 PolarHBondContact O-OG 3.44Å
616	L	93.7	Very high	91.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-77.4	-30.3	169.2	-58.9	-178	0	0	0	112.5	F586 L591 A594 L595 L609 L612 L613 P614 S619 L632	F586-L616 HydrophobicContact CE1-CD2 3.69Å; F586-L616 HydrophobicContact CZ-CD2 3.52Å; L591-L616 HydrophobicContact CD1-CB 3.89Å; L591-L616 HydrophobicContact CD1-CD1 4.16Å; L591-L616 HydrophobicContact CD1-CD2 4.02Å; L591-L616 HydrophobicContact CD1-CG 4.23Å; A594-L616 HydrophobicContact CB-CD1 4.5Å; L595-L616 HydrophobicContact CD2-CD1 4.12Å; L609-L616 HydrophobicContact CD1-CD1 4.01Å; L612-L616 HydrophobicContact CD2-CD1 4.46Å; L612-L616 HydrophobicContact CD2-CD2 4.17Å; L612-L616 HydrophobicContact CD2-CG 4.4Å; L612-L616 HydrophobicContact CG-CD1 4.43Å; L612-L616 HydrophobicContact CG-CD2 4.17Å; L612-L616 HydrophobicContact CG-CG 4.06Å; L612-L616 WeakPolarHBondContact O-CG 3.24Å; L612-L616 PolarHBondContact O-N 3.01Å; L613-L616 HydrophobicContact CD2-CD1 4.41Å; L613-L616 CarbonylContact O-C 3.57Å; L613-L616 PolarHBondContact O-N 2.87Å; P614-L616 VanDerWaalsContact C-N 3.34Å; L616-S619 PolarHBondContact O-OG 2.94Å; L616-S619 VanDerWaalsContact O-OG 3.08Å; L616-L632 HydrophobicContact CB-CD1 3.87Å
617	R	91.6	Very high	91.7	Very high	45 Å²	45	53.2 Å²	53.2	17%	0.17	28%	0.278	C	S	.	.	H	α-helix	trans	-68.8	-43.6	172.2	-171.8	-174	-174.4	86.3	-7.1	110.6	L613 P614 S619 L620 L632 D633 L659 L662 D663	L613-R617 PolarHBondContact O-N 3.26Å; P614-R617 PolarHBondContact O-N 3.4Å; R617-S619 PolarHBondContact O-N 2.96Å; R617-L620 WeakPolarHBondContact O-CB 3.35Å; R617-L620 WeakPolarHBondContact O-CG 3.24Å; R617-L620 PolarHBondContact O-N 3.29Å; R617-L620 VanDerWaalsContact O-N 3.09Å; R617-L632 HydrophobicContact CB-CD1 4.18Å; R617-D633 IonicContact NH1-OD1 3.61Å; R617-L659 HydrophobicContact CB-CD2 3.75Å; R617-L659 HydrophobicContact CG-CD2 4.28Å; R617-L662 HydrophobicContact CB-CD1 4.38Å; R617-D663 IonicContact CZ-OD1 3.15Å; R617-D663 IonicContact CZ-OD2 3.63Å; R617-D663 IonicContact NE-OD1 3.68Å; R617-D663 PolarHBondContact NE-OD1 3.42Å; R617-D663 IonicContact NH2-OD1 3.21Å; R617-D663 PolarHBondContact NH2-OD1 2.91Å; R617-D663 IonicContact NH2-OD2 2.72Å; R617-D663 PolarHBondContact NH2-OD2 2.94Å
618	S	88.9	Confident	91.5	Very high	70 Å²	70	50.7 Å²	50.7	49%	0.49	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-13.9	-179.4	65.9	0	0	0	0	114.4	P614 R615 L620	P614-S618 PolarHBondContact O-N 3.06Å; R615-S618 PolarHBondContact O-OG 3.44Å; S618-L620 VanDerWaalsContact C-N 3.32Å
619	S	89	Confident	91.3	Very high	7 Å²	7	50.5 Å²	50.5	5%	0.049	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-9.5	171.4	77.9	0	0	0	0	114	R583 N587 L616 R617	R583-S619 VanDerWaalsContact CB-O 3.3Å; R583-S619 WeakPolarHBondContact CB-O 3.46Å; R583-S619 WeakPolarHBondContact CD-O 3.47Å; R583-S619 WeakPolarHBondContact CG-O 3.45Å; N587-S619 PolarHBondContact ND2-O 2.95Å; N587-S619 WeakPolarHBondContact OD1-CB 3.5Å; N587-S619 PolarHBondContact OD1-O 2.75Å; N587-S619 PolarHBondContact OD1-OG 3.41Å; L616-S619 PolarHBondContact O-OG 2.94Å; L616-S619 VanDerWaalsContact O-OG 3.08Å; R617-S619 PolarHBondContact O-N 2.96Å
620	L	89.9	Confident	91.2	Very high	20 Å²	20	55.4 Å²	55.4	11%	0.105	29%	0.293	C	S	.	.			trans	-85.6	130.3	-175.9	-54.1	-177.4	0	0	0	112.6	L591 R617 S618 D625 L628 L629 L632	L591-L620 HydrophobicContact CD2-CD2 3.67Å; R617-L620 WeakPolarHBondContact O-CB 3.35Å; R617-L620 WeakPolarHBondContact O-CG 3.24Å; R617-L620 PolarHBondContact O-N 3.29Å; R617-L620 VanDerWaalsContact O-N 3.09Å; S618-L620 VanDerWaalsContact C-N 3.32Å; L620-D625 HydrophobicContact CB-CB 4.13Å; L620-D625 HydrophobicContact CD2-CB 4.24Å; L620-L628 HydrophobicContact CD2-CB 3.93Å; L620-L628 HydrophobicContact CD2-CD1 4.49Å; L620-L629 HydrophobicContact CD1-CB 3.89Å; L620-L629 HydrophobicContact CD1-CD1 4.12Å; L620-L632 HydrophobicContact CD1-CD1 4.41Å
621	R	83.8	Confident	91.1	Very high	70 Å²	70	60.7 Å²	60.7	26%	0.264	32%	0.316	S	S	.	.			trans	-97.8	101.1	171.4	-65.4	-172.9	-173.8	165	2.7	110.6	A624 D625 D678 E682	R621-A624 PolarHBondContact O-N 3.3Å; R621-A624 VanDerWaalsContact O-N 3.13Å; R621-D625 PolarHBondContact N-OD2 3.38Å; R621-D625 PolarHBondContact O-N 2.65Å; R621-D678 IonicContact CZ-OD2 3.17Å; R621-D678 IonicContact NE-OD2 2.77Å; R621-D678 PolarHBondContact NE-OD2 2.82Å; R621-D678 IonicContact NH2-OD2 3.86Å; R621-D678 PolarHBondContact NH2-OD2 2.8Å; R621-E682 IonicContact CZ-OE2 3.53Å; R621-E682 IonicContact NH1-OE1 3.13Å; R621-E682 IonicContact NH1-OE2 2.76Å; R621-E682 PolarHBondContact NH1-OE2 2.84Å; R621-E682 IonicContact NH2-OE2 2.73Å; R621-E682 PolarHBondContact NH2-OE2 3.24Å
622	L	82.9	Confident	91.1	Very high	106 Å²	106	56.2 Å²	56.2	56%	0.555	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	146.9	173.9	-59.5	-179.5	0	0	0	111.6	L629	L622-L629 HydrophobicContact CD1-CD2 4Å; L622-L629 HydrophobicContact CD2-CB 4.27Å; L622-L629 HydrophobicContact CD2-CD2 3.85Å
623	P	83.6	Confident	91	Very high	117 Å²	117	59.1 Å²	59.1	76%	0.76	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.5	-5.5	2	34.4	-36.9	0	0	0	115	D625 K626	P623-D625 PolarHBondContact O-N 3.26Å; P623-K626 WeakPolarHBondContact O-CB 3.11Å; P623-K626 PolarHBondContact O-N 3Å
624	A	84.8	Confident	90.9	Very high	86 Å²	86	64.4 Å²	64.4	71%	0.711	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-45.3	-172.9	0	0	0	0	0	113	R621 K626	R621-A624 PolarHBondContact O-N 3.3Å; R621-A624 VanDerWaalsContact O-N 3.13Å; A624-K626 PolarHBondContact O-N 2.99Å
625	D	89.8	Confident	91	Very high	31 Å²	31	63.6 Å²	63.6	17%	0.166	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	20.1	-176.8	-69.3	-30	0	0	0	113.9	N587 L620 R621 P623 L627 L628 L629	N587-D625 PolarHBondContact ND2-OD2 2.8Å; L620-D625 HydrophobicContact CB-CB 4.13Å; L620-D625 HydrophobicContact CD2-CB 4.24Å; R621-D625 PolarHBondContact N-OD2 3.38Å; R621-D625 PolarHBondContact O-N 2.65Å; P623-D625 PolarHBondContact O-N 3.26Å; D625-L627 PolarHBondContact O-N 3Å; D625-L627 VanDerWaalsContact O-N 3.14Å; D625-L628 HydrophobicContact CB-CB 4.35Å; D625-L628 HydrophobicContact CB-CD1 4.2Å; D625-L628 WeakPolarHBondContact O-CA 3.36Å; D625-L628 WeakPolarHBondContact O-CB 3.34Å; D625-L628 PolarHBondContact O-N 3.42Å; D625-L629 PolarHBondContact O-N 3.26Å
626	K	91.1	Very high	91.2	Very high	128 Å²	128	60.8 Å²	60.8	56%	0.557	32%	0.32	S	S	*	.	H	α-helix	trans	-54.2	-35.9	-177.8	-177.2	175.9	-179.4	178.7	0	113.8	P623 A624 L628 Q630	P623-K626 WeakPolarHBondContact O-CB 3.11Å; P623-K626 PolarHBondContact O-N 3Å; A624-K626 PolarHBondContact O-N 2.99Å; K626-L628 VanDerWaalsContact C-N 3.32Å; K626-Q630 WeakPolarHBondContact O-CG 3.37Å; K626-Q630 PolarHBondContact O-N 2.9Å; K626-Q630 VanDerWaalsContact O-N 3.08Å
627	L	94.3	Very high	91.3	Very high	129 Å²	129	66.3 Å²	66.3	68%	0.675	35%	0.346	S	S	*	.	H	α-helix	trans	-72	-24.8	176.7	-64.1	177.5	0	0	0	113.1	D625	D625-L627 PolarHBondContact O-N 3Å; D625-L627 VanDerWaalsContact O-N 3.14Å
628	L	93.7	Very high	91.4	Very high	30 Å²	30	66 Å²	66	16%	0.157	35%	0.346	C	S	.	.	H	α-helix	trans	-83.2	-38.6	175.7	-59.1	178.5	0	0	0	110.6	N587 L591 I592 L620 D625 K626 Q630 K631 L632	N587-L628 HydrophobicContact CB-CD1 3.72Å; L591-L628 HydrophobicContact CD2-CB 4.01Å; L591-L628 HydrophobicContact CD2-CD1 4.15Å; L591-L628 HydrophobicContact CD2-CD2 4.49Å; L591-L628 HydrophobicContact CD2-CG 4.46Å; I592-L628 HydrophobicContact CD1-CD2 3.79Å; I592-L628 HydrophobicContact CG1-CD2 4.44Å; L620-L628 HydrophobicContact CD2-CB 3.93Å; L620-L628 HydrophobicContact CD2-CD1 4.49Å; D625-L628 HydrophobicContact CB-CB 4.35Å; D625-L628 HydrophobicContact CB-CD1 4.2Å; D625-L628 WeakPolarHBondContact O-CA 3.36Å; D625-L628 WeakPolarHBondContact O-CB 3.34Å; D625-L628 PolarHBondContact O-N 3.42Å; K626-L628 VanDerWaalsContact C-N 3.32Å; L628-Q630 VanDerWaalsContact C-N 3.35Å; L628-Q630 PolarHBondContact O-N 3.1Å; L628-K631 PolarHBondContact O-N 2.77Å; L628-K631 VanDerWaalsContact O-N 3.11Å; L628-L632 PolarHBondContact O-N 2.8Å
629	L	93.2	Very high	91.8	Very high	26 Å²	26	62.9 Å²	62.9	14%	0.136	32%	0.323	C	S	.	.	H	α-helix	trans	-54.4	-50.5	169	176.5	60.3	0	0	0	110.7	L620 L622 D625 K631 L632 D633	L620-L629 HydrophobicContact CD1-CB 3.89Å; L620-L629 HydrophobicContact CD1-CD1 4.12Å; L622-L629 HydrophobicContact CD1-CD2 4Å; L622-L629 HydrophobicContact CD2-CB 4.27Å; L622-L629 HydrophobicContact CD2-CD2 3.85Å; D625-L629 PolarHBondContact O-N 3.26Å; L629-K631 PolarHBondContact O-N 3.16Å; L629-K631 VanDerWaalsContact O-N 3.15Å; L629-L632 CarbonylContact O-C 3.53Å; L629-L632 WeakPolarHBondContact O-CA 3.43Å; L629-L632 WeakPolarHBondContact O-CB 3.37Å; L629-L632 PolarHBondContact O-N 3.39Å; L629-D633 WeakPolarHBondContact CD1-OD1 3.08Å; L629-D633 WeakPolarHBondContact CG-OD2 3.38Å; L629-D633 VanDerWaalsContact O-CG 3.23Å; L629-D633 PolarHBondContact O-N 3.39Å
630	Q	94.7	Very high	92	Very high	104 Å²	104	67 Å²	67	49%	0.486	34%	0.344	S	S	.	.	H	α-helix	trans	-56.7	-32.2	176.5	-75.6	176.3	-30.2	0	0	114.1	K626 L628 F634	K626-Q630 WeakPolarHBondContact O-CG 3.37Å; K626-Q630 PolarHBondContact O-N 2.9Å; K626-Q630 VanDerWaalsContact O-N 3.08Å; L628-Q630 VanDerWaalsContact C-N 3.35Å; L628-Q630 PolarHBondContact O-N 3.1Å; Q630-F634 WeakPolarHBondContact O-CB 3.48Å; Q630-F634 PolarHBondContact O-N 2.79Å; Q630-F634 VanDerWaalsContact O-N 3.08Å
631	K	95.1	Very high	92.1	Very high	110 Å²	110	70.5 Å²	70.5	48%	0.478	37%	0.369	S	S	.	.	H	α-helix	trans	-75.4	-35.2	174.4	-71.7	-177.5	177.7	-171.4	0	112.6	I592 L595 L628 L629 C635	I592-K631 HydrophobicContact CD1-CD 3.51Å; L595-K631 HydrophobicContact CD1-CB 4.22Å; L628-K631 PolarHBondContact O-N 2.77Å; L628-K631 VanDerWaalsContact O-N 3.11Å; L629-K631 PolarHBondContact O-N 3.16Å; L629-K631 VanDerWaalsContact O-N 3.15Å; K631-C635 WeakPolarHBondContact O-CB 2.86Å; K631-C635 PolarHBondContact O-N 3.05Å
632	L	95.3	Very high	92.6	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-68.5	-44	173.7	-172.6	152.4	0	0	0	110.8	L595 L613 L616 R617 L620 L628 L629 F634 C635 V636	L595-L632 HydrophobicContact CD1-CB 4.26Å; L595-L632 HydrophobicContact CD2-CB 4.45Å; L595-L632 HydrophobicContact CD2-CG 4.37Å; L613-L632 HydrophobicContact CD2-CG 4.31Å; L616-L632 HydrophobicContact CB-CD1 3.87Å; R617-L632 HydrophobicContact CB-CD1 4.18Å; L620-L632 HydrophobicContact CD1-CD1 4.41Å; L628-L632 PolarHBondContact O-N 2.8Å; L629-L632 CarbonylContact O-C 3.53Å; L629-L632 WeakPolarHBondContact O-CA 3.43Å; L629-L632 WeakPolarHBondContact O-CB 3.37Å; L629-L632 PolarHBondContact O-N 3.39Å; L632-F634 VanDerWaalsContact C-N 3.34Å; L632-F634 PolarHBondContact O-N 3.42Å; L632-C635 WeakPolarHBondContact O-CA 3.32Å; L632-C635 VanDerWaalsContact O-CB 3.25Å; L632-C635 WeakPolarHBondContact O-CB 3.43Å; L632-C635 PolarHBondContact O-N 2.85Å; L632-C635 VanDerWaalsContact O-N 3.08Å; L632-V636 HydrophobicContact CD2-CG2 4.08Å; L632-V636 WeakPolarHBondContact O-CG2 3.48Å; L632-V636 PolarHBondContact O-N 3.38Å
633	D	93.9	Very high	93.2	Very high	68 Å²	68	72.1 Å²	72.1	36%	0.364	37%	0.369	S	S	.	.	H	α-helix	trans	-62.9	-40.3	176.4	-60.2	-27.1	0	0	0	111.1	R617 L629 C635 V636 Q637	R617-D633 IonicContact NH1-OD1 3.61Å; L629-D633 WeakPolarHBondContact CD1-OD1 3.08Å; L629-D633 WeakPolarHBondContact CG-OD2 3.38Å; L629-D633 VanDerWaalsContact O-CG 3.23Å; L629-D633 PolarHBondContact O-N 3.39Å; D633-C635 VanDerWaalsContact C-N 3.33Å; D633-C635 PolarHBondContact O-N 3.1Å; D633-V636 PolarHBondContact O-N 3.48Å; D633-Q637 WeakPolarHBondContact O-CB 3.21Å; D633-Q637 PolarHBondContact O-N 2.69Å
634	F	95.2	Very high	93.7	Very high	110 Å²	110	75.9 Å²	75.9	48%	0.482	37%	0.374	S	S	.	.	H	α-helix	trans	-63.7	-35.2	172.1	179.3	-100.2	0	0	0	112.8	Q630 L632 K638	Q630-F634 WeakPolarHBondContact O-CB 3.48Å; Q630-F634 PolarHBondContact O-N 2.79Å; Q630-F634 VanDerWaalsContact O-N 3.08Å; L632-F634 VanDerWaalsContact C-N 3.34Å; L632-F634 PolarHBondContact O-N 3.42Å; F634-K638 VanDerWaalsContact O-CB 3.28Å; F634-K638 WeakPolarHBondContact O-CB 3.45Å; F634-K638 PolarHBondContact O-N 3.06Å
635	C	95.9	Very high	94.3	Very high	2 Å²	2	74.2 Å²	74.2	1%	0.014	35%	0.353	C	S	.	.	H	α-helix	trans	-64.5	-48.6	173.5	-179.9	0	0	0	0	111.2	L595 V598 K631 L632 D633 Q637 K638 F639	L595-C635 HydrophobicContact CD2-CB 3.95Å; V598-C635 VanDerWaalsContact CB-SG 3.57Å; K631-C635 WeakPolarHBondContact O-CB 2.86Å; K631-C635 PolarHBondContact O-N 3.05Å; L632-C635 WeakPolarHBondContact O-CA 3.32Å; L632-C635 VanDerWaalsContact O-CB 3.25Å; L632-C635 WeakPolarHBondContact O-CB 3.43Å; L632-C635 PolarHBondContact O-N 2.85Å; L632-C635 VanDerWaalsContact O-N 3.08Å; D633-C635 VanDerWaalsContact C-N 3.33Å; D633-C635 PolarHBondContact O-N 3.1Å; C635-Q637 PolarHBondContact O-N 3.16Å; C635-K638 PolarHBondContact O-N 2.79Å; C635-F639 WeakPolarHBondContact O-CD2 3.44Å; C635-F639 PolarHBondContact O-N 3.35Å
636	V	95.8	Very high	94.7	Very high	17 Å²	17	81.3 Å²	81.3	10%	0.103	38%	0.382	C	S	.	.	H	α-helix	trans	-57.4	-49.6	174	172.7	0	0	0	0	111	L613 L632 D633 K638 F639 L640 I652 V656 L659	L613-V636 HydrophobicContact CD1-CG2 3.98Å; L632-V636 HydrophobicContact CD2-CG2 4.08Å; L632-V636 WeakPolarHBondContact O-CG2 3.48Å; L632-V636 PolarHBondContact O-N 3.38Å; D633-V636 PolarHBondContact O-N 3.48Å; V636-K638 VanDerWaalsContact C-N 3.31Å; V636-K638 PolarHBondContact O-N 3.38Å; V636-F639 PolarHBondContact O-N 3Å; V636-L640 HydrophobicContact CG1-CD1 3.99Å; V636-L640 HydrophobicContact CG1-CG 4.47Å; V636-L640 WeakPolarHBondContact O-CG 3.46Å; V636-L640 PolarHBondContact O-N 3.29Å; V636-I652 HydrophobicContact CG1-CD1 4.5Å; V636-V656 HydrophobicContact CG1-CG2 3.75Å; V636-L659 HydrophobicContact CG2-CD1 3.77Å
637	Q	95	Very high	95	Very high	116 Å²	116	80.4 Å²	80.4	54%	0.542	38%	0.384	S	S	.	.	H	α-helix	trans	-60.3	-40.1	177.9	-169.9	-174.1	30.3	0	0	111.6	D633 C635 L640 C641	D633-Q637 WeakPolarHBondContact O-CB 3.21Å; D633-Q637 PolarHBondContact O-N 2.69Å; C635-Q637 PolarHBondContact O-N 3.16Å; Q637-L640 PolarHBondContact O-N 2.97Å; Q637-C641 VanDerWaalsContact O-CB 3.31Å; Q637-C641 WeakPolarHBondContact O-CB 3.44Å; Q637-C641 PolarHBondContact O-N 3.39Å; Q637-C641 PolarHBondContact O-SG 2.96Å; Q637-C641 VanDerWaalsContact O-SG 3.39Å
638	K	94.4	Very high	95.1	Very high	39 Å²	39	74.3 Å²	74.3	17%	0.17	35%	0.352	C	S	.	.	H	α-helix	trans	-64.8	-40.3	177.6	-176.3	173.8	173.1	-161.8	0	111.8	V598 H599 F634 C635 V636 R642	V598-K638 HydrophobicContact CG1-CD 4.2Å; V598-K638 HydrophobicContact CG2-CB 4.19Å; V598-K638 HydrophobicContact CG2-CD 4.07Å; V598-K638 HydrophobicContact CG2-CG 4.19Å; V598-K638 PolarHBondContact O-NZ 2.7Å; V598-K638 VanDerWaalsContact O-NZ 3.11Å; H599-K638 PolarHBondContact CD2-NZ 3.46Å; H599-K638 PolarHBondContact CE1-NZ 3.21Å; H599-K638 PolarHBondContact ND1-NZ 3.1Å; H599-K638 PolarHBondContact NE2-NZ 3.16Å; F634-K638 VanDerWaalsContact O-CB 3.28Å; F634-K638 WeakPolarHBondContact O-CB 3.45Å; F634-K638 PolarHBondContact O-N 3.06Å; C635-K638 PolarHBondContact O-N 2.79Å; V636-K638 VanDerWaalsContact C-N 3.31Å; V636-K638 PolarHBondContact O-N 3.38Å; K638-R642 HydrophobicContact CG-CB 4.45Å; K638-R642 HydrophobicContact CG-CG 4.49Å; K638-R642 WeakPolarHBondContact O-CA 3.44Å; K638-R642 WeakPolarHBondContact O-CB 3.35Å; K638-R642 PolarHBondContact O-N 3.18Å
639	F	96.1	Very high	95.3	Very high	4 Å²	4	74.7 Å²	74.7	2%	0.018	36%	0.355	C	S	.	.	H	α-helix	trans	-62.1	-52.4	172.1	-76.7	-56.8	0	0	0	111.4	V598 R606 L609 C610 L613 C635 V636 C641 E643 V648 I652	V598-F639 HydrophobicContact CB-CE2 4.16Å; V598-F639 HydrophobicContact CB-CZ 4.01Å; V598-F639 HydrophobicContact CG2-CD1 4.01Å; V598-F639 HydrophobicContact CG2-CD2 3.83Å; V598-F639 HydrophobicContact CG2-CE1 3.75Å; V598-F639 HydrophobicContact CG2-CE2 3.6Å; V598-F639 HydrophobicContact CG2-CG 4.05Å; V598-F639 HydrophobicContact CG2-CZ 3.57Å; R606-F639 HydrophobicContact CB-CE1 3.85Å; R606-F639 HydrophobicContact CB-CZ 4.33Å; R606-F639 HydrophobicContact CG-CE1 4.28Å; L609-F639 HydrophobicContact CB-CZ 4.43Å; L609-F639 HydrophobicContact CD2-CE2 4.13Å; L609-F639 HydrophobicContact CD2-CZ 3.97Å; L609-F639 HydrophobicContact CG-CE2 4.24Å; L609-F639 HydrophobicContact CG-CZ 4.24Å; C610-F639 VanDerWaalsContact SG-CE2 3.52Å; C610-F639 VanDerWaalsContact SG-CZ 3.53Å; L613-F639 HydrophobicContact CD1-CD2 4.12Å; L613-F639 HydrophobicContact CD1-CE2 4.11Å; C635-F639 WeakPolarHBondContact O-CD2 3.44Å; C635-F639 PolarHBondContact O-N 3.35Å; V636-F639 PolarHBondContact O-N 3Å; F639-C641 VanDerWaalsContact C-N 3.3Å; F639-C641 PolarHBondContact O-N 3.49Å; F639-E643 WeakPolarHBondContact O-CB 3.46Å; F639-E643 PolarHBondContact O-N 3.08Å; F639-E643 VanDerWaalsContact O-N 3.14Å; F639-V648 HydrophobicContact CD1-CG1 4.08Å; F639-V648 HydrophobicContact CE1-CG1 4.11Å; F639-I652 HydrophobicContact CB-CB 4.15Å; F639-I652 HydrophobicContact CB-CD1 3.91Å; F639-I652 HydrophobicContact CB-CG1 3.65Å; F639-I652 HydrophobicContact CB-CG2 4.33Å; F639-I652 HydrophobicContact CD2-CD1 3.99Å; F639-I652 HydrophobicContact CG-CD1 4.26Å; F639-I652 HydrophobicContact CG-CG1 4.43Å
640	L	93.4	Very high	95.4	Very high	94 Å²	94	76.3 Å²	76.3	49%	0.492	37%	0.373	S	S	.	.	H	α-helix	trans	-58.3	-37.5	-179.2	-70.3	173	0	0	0	113.7	V636 Q637 I652 V656	V636-L640 HydrophobicContact CG1-CD1 3.99Å; V636-L640 HydrophobicContact CG1-CG 4.47Å; V636-L640 WeakPolarHBondContact O-CG 3.46Å; V636-L640 PolarHBondContact O-N 3.29Å; Q637-L640 PolarHBondContact O-N 2.97Å; L640-I652 HydrophobicContact CD2-CG1 4.13Å; L640-I652 HydrophobicContact CD2-CG2 4.2Å; L640-I652 HydrophobicContact CG-CG1 4.25Å; L640-V656 HydrophobicContact CD1-CG2 4.15Å; L640-V656 HydrophobicContact CD2-CG2 4.25Å; L640-V656 HydrophobicContact CG-CG2 4.46Å
641	C	92.8	Very high	95.5	Very high	93 Å²	93	72.5 Å²	72.5	63%	0.628	36%	0.355	S	S	*	.	H	α-helix	trans	-100.5	-14.5	-172.5	-60.7	0	0	0	0	115.2	Q637 F639	Q637-C641 VanDerWaalsContact O-CB 3.31Å; Q637-C641 WeakPolarHBondContact O-CB 3.44Å; Q637-C641 PolarHBondContact O-N 3.39Å; Q637-C641 PolarHBondContact O-SG 2.96Å; Q637-C641 VanDerWaalsContact O-SG 3.39Å; F639-C641 VanDerWaalsContact C-N 3.3Å; F639-C641 PolarHBondContact O-N 3.49Å
642	R	92.8	Very high	95.6	Very high	180 Å²	180	67.4 Å²	67.4	68%	0.679	33%	0.333	S	S	*	.	H	α-helix	trans	-134.8	-7.6	-172.5	-51.3	-167.3	-172.2	-168.1	2.3	115.6	K638	K638-R642 HydrophobicContact CG-CB 4.45Å; K638-R642 HydrophobicContact CG-CG 4.49Å; K638-R642 WeakPolarHBondContact O-CA 3.44Å; K638-R642 WeakPolarHBondContact O-CB 3.35Å; K638-R642 PolarHBondContact O-N 3.18Å
643	E	96.3	Very high	95.5	Very high	30 Å²	30	75.5 Å²	75.5	14%	0.14	36%	0.363	C	S	.	.			trans	-68.4	147.8	174.3	-171.8	53.8	-102.2	0	0	111.4	R606 F639 D645 V648 V649	R606-E643 IonicContact CZ-OE1 3.95Å; R606-E643 IonicContact CZ-OE2 2.87Å; R606-E643 IonicContact NE-OE1 3.72Å; R606-E643 IonicContact NE-OE2 3.56Å; R606-E643 PolarHBondContact NE-OE2 3.04Å; R606-E643 IonicContact NH2-OE1 3.85Å; R606-E643 PolarHBondContact NH2-OE1 3.43Å; R606-E643 IonicContact NH2-OE2 3.67Å; R606-E643 PolarHBondContact NH2-OE2 3.39Å; F639-E643 WeakPolarHBondContact O-CB 3.46Å; F639-E643 PolarHBondContact O-N 3.08Å; F639-E643 VanDerWaalsContact O-N 3.14Å; E643-D645 WeakPolarHBondContact OE1-CB 3.25Å; E643-D645 PolarHBondContact OE1-N 3.46Å; E643-V648 HydrophobicContact CG-CB 3.69Å; E643-V648 HydrophobicContact CG-CG1 3.7Å; E643-V648 WeakPolarHBondContact OE2-CG1 3.35Å; E643-V649 HydrophobicContact CB-CG2 3.96Å; E643-V649 HydrophobicContact CG-CG2 3.8Å
644	K	94.8	Very high	95.5	Very high	196 Å²	196	77.9 Å²	77.9	85%	0.852	37%	0.371	S	S	*	.			trans	-126.5	-19	178.5	-61.8	-174.1	-179.8	-175.8	0	113.1
645	D	97.9	Very high	95.5	Very high	52 Å²	52	72.7 Å²	72.7	28%	0.278	35%	0.348	S	S	.	.			trans	-71.1	131.4	176.6	-172.2	-79.2	0	0	0	111	A603 E643 D647 V648 V649	A603-D645 HydrophobicContact CB-CB 4.06Å; A603-D645 VanDerWaalsContact CB-OD2 3.24Å; A603-D645 WeakPolarHBondContact CB-OD2 3.43Å; E643-D645 WeakPolarHBondContact OE1-CB 3.25Å; E643-D645 PolarHBondContact OE1-N 3.46Å; D645-D647 PolarHBondContact O-N 2.66Å; D645-D647 PolarHBondContact OD1-N 3.03Å; D645-V648 HydrophobicContact CB-CB 4.12Å; D645-V648 HydrophobicContact CB-CG2 3.84Å; D645-V648 PolarHBondContact OD1-N 2.92Å; D645-V649 WeakPolarHBondContact O-CB 3.39Å; D645-V649 VanDerWaalsContact O-CG2 3.27Å; D645-V649 WeakPolarHBondContact O-CG2 3.49Å; D645-V649 PolarHBondContact O-N 3.18Å
646	K	96.6	Very high	95.4	Very high	179 Å²	179	74 Å²	74	78%	0.778	36%	0.356	S	S	*	.	H	α-helix	trans	-64.5	-39.8	-173.7	-68.2	-176.4	179.1	-179.4	0	112.4	V649 A650	K646-V649 PolarHBondContact O-N 3.27Å; K646-A650 WeakPolarHBondContact O-CB 3.35Å; K646-A650 PolarHBondContact O-N 2.78Å
647	D	97.1	Very high	95.1	Very high	110 Å²	110	78.2 Å²	78.2	59%	0.588	38%	0.377	S	S	*	.	H	α-helix	trans	-79	-35.2	-173.6	-59.9	-26.6	0	0	0	110.2	Y607 D645 A650 M651	Y607-D647 HydrophobicContact CD2-CB 4.3Å; Y607-D647 HydrophobicContact CE2-CB 4.24Å; D645-D647 PolarHBondContact O-N 2.66Å; D645-D647 PolarHBondContact OD1-N 3.03Å; D647-A650 PolarHBondContact O-N 3.25Å; D647-M651 WeakPolarHBondContact O-CB 3.27Å; D647-M651 PolarHBondContact O-N 3.32Å
648	V	97.4	Very high	94.8	Very high	1 Å²	1	76.3 Å²	76.3	1%	0.006	37%	0.368	C	S	.	.	H	α-helix	trans	-67.1	-41.3	170.5	-169.7	0	0	0	0	111.2	A603 R606 F639 E643 D645 M651 I652	A603-V648 HydrophobicContact CB-CG2 4.12Å; R606-V648 HydrophobicContact CB-CG1 4.19Å; R606-V648 HydrophobicContact CB-CG2 4.26Å; F639-V648 HydrophobicContact CD1-CG1 4.08Å; F639-V648 HydrophobicContact CE1-CG1 4.11Å; E643-V648 HydrophobicContact CG-CB 3.69Å; E643-V648 HydrophobicContact CG-CG1 3.7Å; E643-V648 WeakPolarHBondContact OE2-CG1 3.35Å; D645-V648 HydrophobicContact CB-CB 4.12Å; D645-V648 HydrophobicContact CB-CG2 3.84Å; D645-V648 PolarHBondContact OD1-N 2.92Å; V648-M651 PolarHBondContact O-N 3.5Å; V648-I652 WeakPolarHBondContact O-CG2 3.44Å; V648-I652 PolarHBondContact O-N 3Å
649	V	96.9	Very high	94.5	Very high	37 Å²	37	74.8 Å²	74.8	22%	0.224	36%	0.362	C	S	.	.	H	α-helix	trans	-62.8	-41	174.2	167.9	0	0	0	0	111.7	E643 D645 K646 I652 R653	E643-V649 HydrophobicContact CB-CG2 3.96Å; E643-V649 HydrophobicContact CG-CG2 3.8Å; D645-V649 WeakPolarHBondContact O-CB 3.39Å; D645-V649 VanDerWaalsContact O-CG2 3.27Å; D645-V649 WeakPolarHBondContact O-CG2 3.49Å; D645-V649 PolarHBondContact O-N 3.18Å; K646-V649 PolarHBondContact O-N 3.27Å; V649-I652 WeakPolarHBondContact O-CG2 3.33Å; V649-R653 WeakPolarHBondContact O-CD 3.37Å; V649-R653 VanDerWaalsContact O-CG 3.26Å; V649-R653 WeakPolarHBondContact O-CG 3.49Å; V649-R653 PolarHBondContact O-N 3.04Å
650	A	96.2	Very high	93.9	Very high	61 Å²	61	79.1 Å²	79.1	50%	0.504	39%	0.385	S	S	.	.	H	α-helix	trans	-64.2	-43.8	174.9	0	0	0	0	0	111.4	K646 D647 K654	K646-A650 WeakPolarHBondContact O-CB 3.35Å; K646-A650 PolarHBondContact O-N 2.78Å; D647-A650 PolarHBondContact O-N 3.25Å; A650-K654 PolarHBondContact O-N 2.86Å
651	M	96.8	Very high	93.4	Very high	24 Å²	24	80.7 Å²	80.7	12%	0.118	39%	0.388	C	S	.	.	H	α-helix	trans	-63.5	-53.3	178.6	-175.7	53.2	64	0	0	112.2	Y607 C610 Q611 D647 V648 R653 K654 T655	Y607-M651 HydrophobicContact CD2-CB 3.9Å; Y607-M651 HydrophobicContact CD2-CG 4.35Å; Y607-M651 HydrophobicContact CE1-CE 4.08Å; Y607-M651 HydrophobicContact CE2-CB 3.77Å; Y607-M651 HydrophobicContact CE2-CE 3.79Å; Y607-M651 HydrophobicContact CE2-CG 4.23Å; Y607-M651 VanDerWaalsContact CZ-CE 3.43Å; Y607-M651 WeakPolarHBondContact OH-CE 3.41Å; C610-M651 HydrophobicContact CB-CB 4.39Å; C610-M651 HydrophobicContact CB-CG 3.7Å; Q611-M651 HydrophobicContact CG-CE 3.84Å; Q611-M651 HydrophobicContact CG-CG 4.01Å; Q611-M651 HydrophobicContact CG-SD 3.73Å; D647-M651 WeakPolarHBondContact O-CB 3.27Å; D647-M651 PolarHBondContact O-N 3.32Å; V648-M651 PolarHBondContact O-N 3.5Å; M651-R653 PolarHBondContact O-N 3.43Å; M651-K654 CarbonylContact O-C 3.56Å; M651-K654 WeakPolarHBondContact O-CA 3.45Å; M651-K654 WeakPolarHBondContact O-CB 3.27Å; M651-K654 PolarHBondContact O-N 2.7Å; M651-T655 PolarHBondContact O-N 3.32Å; M651-T655 PolarHBondContact O-OG1 2.93Å
652	I	96.3	Very high	92.4	Very high	2 Å²	2	79.6 Å²	79.6	1%	0.01	38%	0.376	C	S	.	.	H	α-helix	trans	-60.2	-34.7	-177	-170.2	69	0	0	0	112.3	L613 V636 F639 L640 V648 V649 K654 T655 V656	L613-I652 HydrophobicContact CD1-CD1 3.78Å; V636-I652 HydrophobicContact CG1-CD1 4.5Å; F639-I652 HydrophobicContact CB-CB 4.15Å; F639-I652 HydrophobicContact CB-CD1 3.91Å; F639-I652 HydrophobicContact CB-CG1 3.65Å; F639-I652 HydrophobicContact CB-CG2 4.33Å; F639-I652 HydrophobicContact CD2-CD1 3.99Å; F639-I652 HydrophobicContact CG-CD1 4.26Å; F639-I652 HydrophobicContact CG-CG1 4.43Å; L640-I652 HydrophobicContact CD2-CG1 4.13Å; L640-I652 HydrophobicContact CD2-CG2 4.2Å; L640-I652 HydrophobicContact CG-CG1 4.25Å; V648-I652 WeakPolarHBondContact O-CG2 3.44Å; V648-I652 PolarHBondContact O-N 3Å; V649-I652 WeakPolarHBondContact O-CG2 3.33Å; I652-K654 VanDerWaalsContact C-N 3.33Å; I652-K654 PolarHBondContact O-N 2.82Å; I652-T655 HydrophobicContact CD1-CG2 4.4Å; I652-T655 PolarHBondContact O-N 3.48Å; I652-V656 HydrophobicContact CD1-CG2 4.49Å; I652-V656 HydrophobicContact CG1-CG2 4.33Å; I652-V656 WeakPolarHBondContact O-CG2 3.47Å; I652-V656 PolarHBondContact O-N 3.5Å
653	R	94.4	Very high	90.9	Very high	170 Å²	170	76.2 Å²	76.2	64%	0.642	37%	0.371	S	S	*	.	H	α-helix	trans	-61.6	-40.3	174.4	-73.6	172.5	179.8	-165.6	0.3	112.2	V649 M651	V649-R653 WeakPolarHBondContact O-CD 3.37Å; V649-R653 VanDerWaalsContact O-CG 3.26Å; V649-R653 WeakPolarHBondContact O-CG 3.49Å; V649-R653 PolarHBondContact O-N 3.04Å; M651-R653 PolarHBondContact O-N 3.43Å
654	K	94.6	Very high	88.8	Confident	118 Å²	118	82.1 Å²	82.1	51%	0.513	40%	0.403	S	S	.	.	H	α-helix	trans	-67.3	-47.6	171.4	177.4	-177.6	164.5	179.9	0	111	A650 M651 I652 V656 L657 E658	A650-K654 PolarHBondContact O-N 2.86Å; M651-K654 CarbonylContact O-C 3.56Å; M651-K654 WeakPolarHBondContact O-CA 3.45Å; M651-K654 WeakPolarHBondContact O-CB 3.27Å; M651-K654 PolarHBondContact O-N 2.7Å; I652-K654 VanDerWaalsContact C-N 3.33Å; I652-K654 PolarHBondContact O-N 2.82Å; K654-V656 VanDerWaalsContact C-N 3.31Å; K654-V656 PolarHBondContact O-N 2.9Å; K654-L657 WeakPolarHBondContact O-CB 3.26Å; K654-L657 PolarHBondContact O-N 3.22Å; K654-L657 VanDerWaalsContact O-N 3.14Å; K654-E658 WeakPolarHBondContact CE-OE1 3.34Å; K654-E658 IonicContact NZ-OE1 2.78Å; K654-E658 PolarHBondContact O-N 3.13Å
655	T	94.3	Very high	86.8	Confident	1 Å²	1	76.8 Å²	76.8	1%	0.006	39%	0.391	C	S	.	.	H	α-helix	trans	-56.5	-40.8	-178.8	-57.4	0	0	0	0	112.6	C610 L613 P614 M651 I652 E658 L659	C610-T655 VanDerWaalsContact O-CG2 3.24Å; C610-T655 WeakPolarHBondContact O-CG2 3.5Å; C610-T655 PolarHBondContact O-OG1 3.47Å; L613-T655 HydrophobicContact CB-CG2 3.93Å; L613-T655 HydrophobicContact CD1-CG2 4.3Å; P614-T655 HydrophobicContact CG-CG2 3.9Å; M651-T655 PolarHBondContact O-N 3.32Å; M651-T655 PolarHBondContact O-OG1 2.93Å; I652-T655 HydrophobicContact CD1-CG2 4.4Å; I652-T655 PolarHBondContact O-N 3.48Å; T655-E658 WeakPolarHBondContact O-CB 3.36Å; T655-E658 PolarHBondContact O-N 3Å; T655-E658 VanDerWaalsContact O-N 3.09Å; T655-L659 HydrophobicContact CG2-CD1 3.93Å; T655-L659 HydrophobicContact CG2-CG 4.29Å; T655-L659 WeakPolarHBondContact O-CG 3.49Å; T655-L659 PolarHBondContact O-N 3.33Å
656	V	92.8	Very high	84.7	Confident	30 Å²	30	79.3 Å²	79.3	18%	0.182	40%	0.4	C	S	.	.	H	α-helix	trans	-62.4	-44.1	177.5	170.2	0	0	0	0	111.3	V636 L640 I652 K654 E658 L659 D660	V636-V656 HydrophobicContact CG1-CG2 3.75Å; L640-V656 HydrophobicContact CD1-CG2 4.15Å; L640-V656 HydrophobicContact CD2-CG2 4.25Å; L640-V656 HydrophobicContact CG-CG2 4.46Å; I652-V656 HydrophobicContact CD1-CG2 4.49Å; I652-V656 HydrophobicContact CG1-CG2 4.33Å; I652-V656 WeakPolarHBondContact O-CG2 3.47Å; I652-V656 PolarHBondContact O-N 3.5Å; K654-V656 VanDerWaalsContact C-N 3.31Å; K654-V656 PolarHBondContact O-N 2.9Å; V656-E658 PolarHBondContact O-N 3.32Å; V656-E658 VanDerWaalsContact O-N 3.1Å; V656-L659 PolarHBondContact O-N 2.86Å; V656-L659 VanDerWaalsContact O-N 3.08Å; V656-D660 PolarHBondContact O-N 3.38Å
657	L	89.9	Confident	82.7	Confident	106 Å²	106	74.9 Å²	74.9	56%	0.555	39%	0.39	S	S	*	.	H	α-helix	trans	-65.6	-12.2	175	-61.4	172.9	0	0	0	114	K654 K661	K654-L657 WeakPolarHBondContact O-CB 3.26Å; K654-L657 PolarHBondContact O-N 3.22Å; K654-L657 VanDerWaalsContact O-N 3.14Å; L657-K661 WeakPolarHBondContact O-CD 3.42Å; L657-K661 WeakPolarHBondContact O-CE 3.13Å; L657-K661 VanDerWaalsContact O-CG 3.3Å; L657-K661 WeakPolarHBondContact O-CG 3.47Å
658	E	89	Confident	80.8	Confident	75 Å²	75	77 Å²	77	35%	0.35	40%	0.395	S	S	.	.	H	α-helix	trans	-92.4	-41.6	170	-67.1	174	172.3	0	0	110.9	P614 K654 T655 V656 D660 K661 L662	P614-E658 HydrophobicContact CG-CB 4.4Å; K654-E658 WeakPolarHBondContact CE-OE1 3.34Å; K654-E658 IonicContact NZ-OE1 2.78Å; K654-E658 PolarHBondContact O-N 3.13Å; T655-E658 WeakPolarHBondContact O-CB 3.36Å; T655-E658 PolarHBondContact O-N 3Å; T655-E658 VanDerWaalsContact O-N 3.09Å; V656-E658 PolarHBondContact O-N 3.32Å; V656-E658 VanDerWaalsContact O-N 3.1Å; E658-D660 PolarHBondContact O-N 2.93Å; E658-K661 PolarHBondContact O-N 3.15Å; E658-L662 PolarHBondContact O-N 3.41Å
659	L	88.2	Confident	79	Confident	7 Å²	7	83.7 Å²	83.7	4%	0.037	43%	0.425	C	S	.	.	H	α-helix	trans	-58.7	-43.8	174	-69.7	164.7	0	0	0	112	P614 R617 V636 T655 V656 K661 L662	P614-L659 HydrophobicContact CB-CD2 4.42Å; P614-L659 HydrophobicContact CG-CD2 4.49Å; R617-L659 HydrophobicContact CB-CD2 3.75Å; R617-L659 HydrophobicContact CG-CD2 4.28Å; V636-L659 HydrophobicContact CG2-CD1 3.77Å; T655-L659 HydrophobicContact CG2-CD1 3.93Å; T655-L659 HydrophobicContact CG2-CG 4.29Å; T655-L659 WeakPolarHBondContact O-CG 3.49Å; T655-L659 PolarHBondContact O-N 3.33Å; V656-L659 PolarHBondContact O-N 2.86Å; V656-L659 VanDerWaalsContact O-N 3.08Å; L659-K661 PolarHBondContact O-N 3.03Å; L659-L662 PolarHBondContact O-N 3.14Å
660	D	83.9	Confident	77.3	Confident	95 Å²	95	88.4 Å²	88.4	51%	0.508	44%	0.443	S	S	.	.	H	α-helix	trans	-64.3	-27.7	178.4	-63.2	-25.2	0	0	0	112.5	V656 E658	V656-D660 PolarHBondContact O-N 3.38Å; E658-D660 PolarHBondContact O-N 2.93Å
661	K	82.1	Confident	75.9	Confident	128 Å²	128	92.5 Å²	92.5	56%	0.557	45%	0.445	S	S	*	.	H	α-helix	trans	-82.8	-27.3	178.6	-69.5	172.6	-170.4	163.7	0	113.1	L657 E658 L659 D663 L664 S665	L657-K661 WeakPolarHBondContact O-CD 3.42Å; L657-K661 WeakPolarHBondContact O-CE 3.13Å; L657-K661 VanDerWaalsContact O-CG 3.3Å; L657-K661 WeakPolarHBondContact O-CG 3.47Å; E658-K661 PolarHBondContact O-N 3.15Å; L659-K661 PolarHBondContact O-N 3.03Å; K661-D663 PolarHBondContact O-N 2.98Å; K661-L664 PolarHBondContact O-N 3.29Å; K661-S665 PolarHBondContact O-N 3.03Å; K661-S665 VanDerWaalsContact O-N 3.16Å
662	L	73.1	Confident	74.7	Confident	69 Å²	69	98.4 Å²	98.4	36%	0.361	47%	0.466	S	S	.	.	H	α-helix	trans	-61.4	-27.9	176.7	-73.2	174.5	0	0	0	112.4	P614 R617 E658 L659 L664	P614-L662 HydrophobicContact CB-CD1 3.98Å; P614-L662 WeakPolarHBondContact O-CD1 3.34Å; R617-L662 HydrophobicContact CB-CD1 4.38Å; E658-L662 PolarHBondContact O-N 3.41Å; L659-L662 PolarHBondContact O-N 3.14Å; L662-L664 VanDerWaalsContact C-N 3.25Å; L662-L664 PolarHBondContact O-N 2.95Å
663	D	59.5	Low	73.7	Confident	110 Å²	110	103.1 Å²	103.1	59%	0.588	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-9.5	175.9	-70.8	13.3	0	0	0	112.9	R617 K661	R617-D663 IonicContact CZ-OD1 3.15Å; R617-D663 IonicContact CZ-OD2 3.63Å; R617-D663 IonicContact NE-OD1 3.68Å; R617-D663 PolarHBondContact NE-OD1 3.42Å; R617-D663 IonicContact NH2-OD1 3.21Å; R617-D663 PolarHBondContact NH2-OD1 2.91Å; R617-D663 IonicContact NH2-OD2 2.72Å; R617-D663 PolarHBondContact NH2-OD2 2.94Å; K661-D663 PolarHBondContact O-N 2.98Å
664	L	52.6	Low	72.9	Confident	153 Å²	153	102.6 Å²	102.6	80%	0.801	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	-20.2	-172.1	-71.9	171.9	0	0	0	115.8	K661 L662	K661-L664 PolarHBondContact O-N 3.29Å; L662-L664 VanDerWaalsContact C-N 3.25Å; L662-L664 PolarHBondContact O-N 2.95Å
665	S	52.5	Low	72.3	Confident	85 Å²	85	99.1 Å²	99.1	59%	0.594	48%	0.477	S	S	*	.			trans	-150.1	104.3	-175.4	64.2	0	0	0	0	116.7	K661	K661-S665 PolarHBondContact O-N 3.03Å; K661-S665 VanDerWaalsContact O-N 3.16Å
666	E	54.6	Low	72	Confident	104 Å²	104	103.3 Å²	103.3	49%	0.486	50%	0.499	S	S	.	.			trans	-140.7	138	149.3	-82.9	-150.9	132.9	0	0	110.7	F668	E666-F668 PolarHBondContact O-N 3.43Å
667	P	55.6	Low	71.8	Confident	86 Å²	86	104.9 Å²	104.9	56%	0.558	51%	0.505	S	S	*	.			trans	-63.9	126.4	172.7	-21.8	33.6	0	0	0	112	H669 K670 R671	P667-H669 PolarHBondContact O-N 3.13Å; P667-K670 PolarHBondContact O-N 3.41Å; P667-R671 PolarHBondContact O-N 3.33Å
668	F	56.7	Low	71.9	Confident	156 Å²	156	100.1 Å²	100.1	68%	0.684	48%	0.481	S	S	*	.	H	α-helix	trans	-47.5	-37.6	-174.2	-173.6	-96.1	0	0	0	114.6	E666 R672	E666-F668 PolarHBondContact O-N 3.43Å; F668-R672 PolarHBondContact O-N 2.92Å; F668-R672 VanDerWaalsContact O-N 3.08Å
669	H	59.7	Low	72	Confident	141 Å²	141	100.6 Å²	100.6	65%	0.653	48%	0.483	S	S	*	.	H	α-helix	trans	-63.3	-48.3	177.9	-64.9	-83.4	0	0	0	113	P667 R671 R672 D673	P667-H669 PolarHBondContact O-N 3.13Å; H669-R671 VanDerWaalsContact C-N 3.33Å; H669-R671 PolarHBondContact O-N 3.05Å; H669-R672 WeakPolarHBondContact O-CB 3.49Å; H669-R672 PolarHBondContact O-N 2.96Å; H669-D673 PolarHBondContact O-N 2.98Å
670	K	60.8	Low	72.2	Confident	136 Å²	136	104.4 Å²	104.4	59%	0.591	50%	0.499	S	S	*	.	H	α-helix	trans	-60.8	-44.2	179	-71.4	-169.8	174.4	-173.1	0	111.2	P667 R672 D673 W674	P667-K670 PolarHBondContact O-N 3.41Å; K670-R672 VanDerWaalsContact C-N 3.34Å; K670-R672 PolarHBondContact O-N 3.31Å; K670-D673 PolarHBondContact O-N 3.47Å; K670-W674 PolarHBondContact O-N 2.98Å; K670-W674 VanDerWaalsContact O-N 3.13Å
671	R	66.9	Low	72.6	Confident	146 Å²	146	100.8 Å²	100.8	55%	0.551	48%	0.479	S	S	*	.	H	α-helix	trans	-60.1	-42.3	178.3	-171.7	171.7	180	159.4	3.9	112.2	P667 H669 D673 W674 D675	P667-R671 PolarHBondContact O-N 3.33Å; H669-R671 VanDerWaalsContact C-N 3.33Å; H669-R671 PolarHBondContact O-N 3.05Å; R671-D673 PolarHBondContact O-N 3.35Å; R671-W674 PolarHBondContact O-N 2.98Å; R671-D675 WeakPolarHBondContact O-CB 3.5Å; R671-D675 VanDerWaalsContact O-CG 3.3Å; R671-D675 PolarHBondContact O-N 3.41Å
672	R	70.5	Confident	73.1	Confident	149 Å²	149	96 Å²	96	56%	0.562	46%	0.459	S	S	*	.	H	α-helix	trans	-59.4	-42.6	175.9	-178.1	-179	179.9	177.3	-0.4	112.5	F668 H669 K670 D675 L676	F668-R672 PolarHBondContact O-N 2.92Å; F668-R672 VanDerWaalsContact O-N 3.08Å; H669-R672 WeakPolarHBondContact O-CB 3.49Å; H669-R672 PolarHBondContact O-N 2.96Å; K670-R672 VanDerWaalsContact C-N 3.34Å; K670-R672 PolarHBondContact O-N 3.31Å; R672-D675 PolarHBondContact O-N 2.95Å; R672-L676 HydrophobicContact CG-CD1 4.16Å; R672-L676 VanDerWaalsContact O-CG 3.32Å; R672-L676 WeakPolarHBondContact O-CG 3.33Å; R672-L676 PolarHBondContact O-N 3.11Å
673	D	75.7	Confident	73.9	Confident	101 Å²	101	99 Å²	99	54%	0.54	47%	0.469	S	S	.	.	H	α-helix	trans	-71	-39.3	-177.7	-62	-27.2	0	0	0	111.5	H669 K670 R671 L676 L677	H669-D673 PolarHBondContact O-N 2.98Å; K670-D673 PolarHBondContact O-N 3.47Å; R671-D673 PolarHBondContact O-N 3.35Å; D673-L676 PolarHBondContact O-N 3.48Å; D673-L677 PolarHBondContact O-N 3.24Å
674	W	77.6	Confident	75.4	Confident	158 Å²	158	96 Å²	96	60%	0.598	45%	0.451	S	S	*	.	H	α-helix	trans	-60.9	-44.7	169.6	-68.2	126.3	0	0	0	112.4	K670 R671 L676 L677 D678	K670-W674 PolarHBondContact O-N 2.98Å; K670-W674 VanDerWaalsContact O-N 3.13Å; R671-W674 PolarHBondContact O-N 2.98Å; W674-L676 VanDerWaalsContact C-N 3.34Å; W674-L676 PolarHBondContact O-N 3.18Å; W674-L677 HydrophobicContact CE3-CD2 4.43Å; W674-L677 HydrophobicContact CZ3-CD2 4.43Å; W674-L677 PolarHBondContact O-N 3.36Å; W674-D678 VanDerWaalsContact O-CB 3.26Å; W674-D678 WeakPolarHBondContact O-CB 3.29Å; W674-D678 PolarHBondContact O-N 3.39Å
675	D	83.3	Confident	77.2	Confident	46 Å²	46	89.7 Å²	89.7	25%	0.246	42%	0.418	C	S	.	.	H	α-helix	trans	-64	-36.5	178.3	-75	-28.9	0	0	0	112.2	R583 R671 R672 Q679	R583-D675 IonicContact CZ-OD1 3.87Å; R583-D675 IonicContact NH1-OD1 2.72Å; R583-D675 PolarHBondContact NH1-OD1 3.39Å; R583-D675 IonicContact NH2-OD1 3.55Å; R583-D675 PolarHBondContact NH2-OD1 2.77Å; R671-D675 WeakPolarHBondContact O-CB 3.5Å; R671-D675 VanDerWaalsContact O-CG 3.3Å; R671-D675 PolarHBondContact O-N 3.41Å; R672-D675 PolarHBondContact O-N 2.95Å; D675-Q679 WeakPolarHBondContact O-CB 3.47Å; D675-Q679 VanDerWaalsContact O-CG 3.23Å; D675-Q679 WeakPolarHBondContact O-CG 3.37Å; D675-Q679 PolarHBondContact O-N 2.78Å; D675-Q679 PolarHBondContact O-NE2 2.9Å
676	L	87.9	Confident	78.9	Confident	89 Å²	89	89.3 Å²	89.3	47%	0.466	41%	0.407	S	S	.	.	H	α-helix	trans	-68.4	-44.2	174.5	-75.4	169.6	0	0	0	112.4	R672 D673 W674 Q679 K680	R672-L676 HydrophobicContact CG-CD1 4.16Å; R672-L676 VanDerWaalsContact O-CG 3.32Å; R672-L676 WeakPolarHBondContact O-CG 3.33Å; R672-L676 PolarHBondContact O-N 3.11Å; D673-L676 PolarHBondContact O-N 3.48Å; W674-L676 VanDerWaalsContact C-N 3.34Å; W674-L676 PolarHBondContact O-N 3.18Å; L676-Q679 PolarHBondContact O-N 2.86Å; L676-K680 PolarHBondContact O-N 2.92Å
677	L	88.1	Confident	80.4	Confident	62 Å²	62	87.9 Å²	87.9	33%	0.325	40%	0.402	S	S	.	.	H	α-helix	trans	-63.4	-43.4	176.9	-179.5	61.2	0	0	0	111.2	D673 W674 K680 K681 L814	D673-L677 PolarHBondContact O-N 3.24Å; W674-L677 HydrophobicContact CE3-CD2 4.43Å; W674-L677 HydrophobicContact CZ3-CD2 4.43Å; W674-L677 PolarHBondContact O-N 3.36Å; L677-K680 WeakPolarHBondContact O-CB 3.47Å; L677-K680 PolarHBondContact O-N 3.17Å; L677-K680 VanDerWaalsContact O-N 3.13Å; L677-K681 WeakPolarHBondContact O-CG 3.47Å; L677-K681 PolarHBondContact O-N 3.42Å; L677-L814 HydrophobicContact CD1-CD1 4.2Å
678	D	90.8	Very high	81.7	Confident	7 Å²	7	84.9 Å²	84.9	4%	0.037	38%	0.382	C	S	.	.	H	α-helix	trans	-65.8	-39	177.8	-177.8	56.8	0	0	0	112.7	S582 R583 R621 W674 K680 K681 E682	S582-D678 VanDerWaalsContact CA-OD1 3.23Å; S582-D678 WeakPolarHBondContact CA-OD1 3.22Å; R583-D678 IonicContact CZ-OD2 3.64Å; R583-D678 PolarHBondContact N-OD1 3.17Å; R583-D678 IonicContact NE-OD1 2.88Å; R583-D678 IonicContact NE-OD2 3.27Å; R583-D678 PolarHBondContact NE-OD2 3.21Å; R583-D678 IonicContact NH2-OD2 2.97Å; R583-D678 PolarHBondContact NH2-OD2 3.07Å; R621-D678 IonicContact CZ-OD2 3.17Å; R621-D678 IonicContact NE-OD2 2.77Å; R621-D678 PolarHBondContact NE-OD2 2.82Å; R621-D678 IonicContact NH2-OD2 3.86Å; R621-D678 PolarHBondContact NH2-OD2 2.8Å; W674-D678 VanDerWaalsContact O-CB 3.26Å; W674-D678 WeakPolarHBondContact O-CB 3.29Å; W674-D678 PolarHBondContact O-N 3.39Å; D678-K680 VanDerWaalsContact C-N 3.28Å; D678-K680 PolarHBondContact O-N 3.39Å; D678-K681 PolarHBondContact O-N 2.7Å; D678-E682 PolarHBondContact O-N 3.47Å
679	Q	91.4	Very high	83	Confident	84 Å²	84	80.6 Å²	80.6	39%	0.393	37%	0.366	S	S	.	.	H	α-helix	trans	-61.6	-34.3	169.8	-78.4	174.4	48.4	0	0	112.6	D675 L676 K683	D675-Q679 WeakPolarHBondContact O-CB 3.47Å; D675-Q679 VanDerWaalsContact O-CG 3.23Å; D675-Q679 WeakPolarHBondContact O-CG 3.37Å; D675-Q679 PolarHBondContact O-N 2.78Å; D675-Q679 PolarHBondContact O-NE2 2.9Å; L676-Q679 PolarHBondContact O-N 2.86Å; Q679-K683 WeakPolarHBondContact O-CB 3.45Å; Q679-K683 VanDerWaalsContact O-CG 3.29Å; Q679-K683 WeakPolarHBondContact O-CG 3.29Å; Q679-K683 PolarHBondContact O-N 2.86Å
680	K	92.2	Very high	84.2	Confident	87 Å²	87	79.1 Å²	79.1	38%	0.378	36%	0.359	S	S	.	.	H	α-helix	trans	-66.2	-45.6	174.3	-174	-174.5	173.7	-169.9	0	110.9	L676 L677 D678 E682 K683 E684	L676-K680 PolarHBondContact O-N 2.92Å; L677-K680 WeakPolarHBondContact O-CB 3.47Å; L677-K680 PolarHBondContact O-N 3.17Å; L677-K680 VanDerWaalsContact O-N 3.13Å; D678-K680 VanDerWaalsContact C-N 3.28Å; D678-K680 PolarHBondContact O-N 3.39Å; K680-E682 PolarHBondContact O-N 3.01Å; K680-K683 PolarHBondContact O-N 2.93Å; K680-E684 WeakPolarHBondContact CE-OE1 3.4Å; K680-E684 PolarHBondContact O-N 2.95Å
681	K	93.6	Very high	85.3	Confident	20 Å²	20	75.3 Å²	75.3	9%	0.087	34%	0.344	C	S	.	.	H	α-helix	trans	-57.4	-48.6	174.5	-56.9	-175.7	-154.4	179.8	0	111.3	T578 E579 F581 L677 D678 K683 E684 E685	T578-K681 PolarHBondContact O-NZ 3.42Å; T578-K681 VanDerWaalsContact O-NZ 3.11Å; E579-K681 WeakPolarHBondContact O-CE 3.45Å; E579-K681 PolarHBondContact O-NZ 3.22Å; F581-K681 WeakPolarHBondContact O-CD 3.35Å; F581-K681 PolarHBondContact O-NZ 3.41Å; L677-K681 WeakPolarHBondContact O-CG 3.47Å; L677-K681 PolarHBondContact O-N 3.42Å; D678-K681 PolarHBondContact O-N 2.7Å; K681-K683 VanDerWaalsContact C-N 3.31Å; K681-K683 PolarHBondContact O-N 3.31Å; K681-E684 PolarHBondContact O-N 3.4Å; K681-E685 WeakPolarHBondContact O-CB 3.38Å; K681-E685 VanDerWaalsContact O-CG 3.29Å; K681-E685 WeakPolarHBondContact O-CG 3.33Å; K681-E685 PolarHBondContact O-N 3.12Å
682	E	92.1	Very high	86	Confident	28 Å²	28	68.8 Å²	68.8	13%	0.131	32%	0.32	C	S	.	.	H	α-helix	trans	-60.9	-38.3	-179.9	-174.5	177.1	176.5	0	0	112.2	K584 R621 D678 K680 E685 M686	K584-E682 HydrophobicContact CD-CG 4.08Å; K584-E682 WeakPolarHBondContact CD-OE1 3.37Å; K584-E682 WeakPolarHBondContact CE-OE1 3.49Å; K584-E682 IonicContact NZ-OE1 3.55Å; K584-E682 PolarHBondContact NZ-OE1 2.86Å; R621-E682 IonicContact CZ-OE2 3.53Å; R621-E682 IonicContact NH1-OE1 3.13Å; R621-E682 IonicContact NH1-OE2 2.76Å; R621-E682 PolarHBondContact NH1-OE2 2.84Å; R621-E682 IonicContact NH2-OE2 2.73Å; R621-E682 PolarHBondContact NH2-OE2 3.24Å; D678-E682 PolarHBondContact O-N 3.47Å; K680-E682 PolarHBondContact O-N 3.01Å; E682-E685 PolarHBondContact O-N 3.46Å; E682-M686 HydrophobicContact CG-CE 4.17Å; E682-M686 HydrophobicContact CG-SD 4.41Å; E682-M686 VanDerWaalsContact O-CG 3.3Å; E682-M686 WeakPolarHBondContact O-CG 3.34Å; E682-M686 PolarHBondContact O-N 2.78Å
683	K	90.8	Very high	86.6	Confident	131 Å²	131	66.8 Å²	66.8	57%	0.57	32%	0.317	S	S	*	.	H	α-helix	trans	-66.6	-42.5	174.6	-74.6	169.5	-178.5	174.3	0	112.7	Q679 K680 K681 M686 L687	Q679-K683 WeakPolarHBondContact O-CB 3.45Å; Q679-K683 VanDerWaalsContact O-CG 3.29Å; Q679-K683 WeakPolarHBondContact O-CG 3.29Å; Q679-K683 PolarHBondContact O-N 2.86Å; K680-K683 PolarHBondContact O-N 2.93Å; K681-K683 VanDerWaalsContact C-N 3.31Å; K681-K683 PolarHBondContact O-N 3.31Å; K683-M686 HydrophobicContact CG-CE 4.42Å; K683-M686 PolarHBondContact O-N 3.21Å; K683-L687 WeakPolarHBondContact O-CB 3.26Å; K683-L687 PolarHBondContact O-N 2.93Å
684	E	89.1	Confident	86.9	Confident	47 Å²	47	66.3 Å²	66.3	22%	0.22	31%	0.314	C	S	.	.	H	α-helix	trans	-63.1	-42.2	174.6	-72.5	176.6	-142.8	0	0	111.8	R539 Y540 K680 K681 L687 L688	R539-E684 IonicContact CZ-OE2 3.19Å; R539-E684 VanDerWaalsContact NH2-CD 3.3Å; R539-E684 IonicContact NH2-OE1 3.04Å; R539-E684 IonicContact NH2-OE2 3.21Å; R539-E684 PolarHBondContact NH2-OE2 2.86Å; Y540-E684 PolarHBondContact OH-OE2 3.23Å; K680-E684 WeakPolarHBondContact CE-OE1 3.4Å; K680-E684 PolarHBondContact O-N 2.95Å; K681-E684 PolarHBondContact O-N 3.4Å; E684-L687 PolarHBondContact O-N 3.38Å; E684-L688 WeakPolarHBondContact O-CG 3.48Å; E684-L688 PolarHBondContact O-N 2.9Å
685	E	90.7	Very high	87.1	Confident	21 Å²	21	62.6 Å²	62.6	10%	0.098	30%	0.303	C	S	.	.	H	α-helix	trans	-65.3	-37.6	177.8	-71.7	165	-177.8	0	0	112.7	S582 Y585 K681 E682 L689	S582-E685 WeakPolarHBondContact CB-OE2 3.36Å; S582-E685 PolarHBondContact N-OE1 3.17Å; S582-E685 PolarHBondContact OG-OE2 3.46Å; Y585-E685 WeakPolarHBondContact CB-OE2 3.34Å; K681-E685 WeakPolarHBondContact O-CB 3.38Å; K681-E685 VanDerWaalsContact O-CG 3.29Å; K681-E685 WeakPolarHBondContact O-CG 3.33Å; K681-E685 PolarHBondContact O-N 3.12Å; E682-E685 PolarHBondContact O-N 3.46Å; E685-L689 PolarHBondContact O-N 2.85Å
686	M	88.2	Confident	86.8	Confident	76 Å²	76	64.8 Å²	64.8	37%	0.374	31%	0.308	S	S	.	.	H	α-helix	trans	-70.5	-42.6	173.4	-69.9	-175.9	-52.5	0	0	111.9	E682 K683 L688 L689 E690	E682-M686 HydrophobicContact CG-CE 4.17Å; E682-M686 HydrophobicContact CG-SD 4.41Å; E682-M686 VanDerWaalsContact O-CG 3.3Å; E682-M686 WeakPolarHBondContact O-CG 3.34Å; E682-M686 PolarHBondContact O-N 2.78Å; K683-M686 HydrophobicContact CG-CE 4.42Å; K683-M686 PolarHBondContact O-N 3.21Å; M686-L688 VanDerWaalsContact C-N 3.3Å; M686-L688 PolarHBondContact O-N 3.2Å; M686-L689 WeakPolarHBondContact O-CB 3.38Å; M686-L689 PolarHBondContact O-N 2.77Å; M686-E690 PolarHBondContact O-N 3.47Å
687	L	87.3	Confident	86.3	Confident	74 Å²	74	66.4 Å²	66.4	39%	0.387	31%	0.313	S	S	.	.	H	α-helix	trans	-59.3	-39.9	177.4	-178.1	64.6	0	0	0	111.9	K683 E684 L689 E690 M691 I807	K683-L687 WeakPolarHBondContact O-CB 3.26Å; K683-L687 PolarHBondContact O-N 2.93Å; E684-L687 PolarHBondContact O-N 3.38Å; L687-L689 VanDerWaalsContact C-N 3.3Å; L687-L689 PolarHBondContact O-N 2.8Å; L687-E690 PolarHBondContact O-N 2.91Å; L687-M691 HydrophobicContact CD1-CG 4.41Å; L687-M691 HydrophobicContact CG-CG 4.44Å; L687-M691 HydrophobicContact CG-SD 4.27Å; L687-M691 WeakPolarHBondContact O-CB 3.41Å; L687-M691 VanDerWaalsContact O-CG 3.27Å; L687-M691 WeakPolarHBondContact O-CG 3.32Å; L687-M691 PolarHBondContact O-N 2.95Å; L687-I807 HydrophobicContact CD2-CD1 4.41Å
688	L	82.9	Confident	85.6	Confident	23 Å²	23	69 Å²	69	12%	0.12	32%	0.323	C	S	.	.	H	α-helix	trans	-62.4	-35.2	175.6	-72.9	166.9	0	0	0	112.7	R539 Y540 R542 E684 M686 E692	R539-L688 VanDerWaalsContact O-CD1 3.28Å; R539-L688 WeakPolarHBondContact O-CD1 3.35Å; Y540-L688 HydrophobicContact CD1-CD1 4.41Å; R542-L688 HydrophobicContact CG-CD2 4.08Å; E684-L688 WeakPolarHBondContact O-CG 3.48Å; E684-L688 PolarHBondContact O-N 2.9Å; M686-L688 VanDerWaalsContact C-N 3.3Å; M686-L688 PolarHBondContact O-N 3.2Å; L688-E692 WeakPolarHBondContact O-CB 3.21Å; L688-E692 PolarHBondContact O-N 3.28Å
689	L	82.8	Confident	84.5	Confident	67 Å²	67	71.4 Å²	71.4	35%	0.351	34%	0.341	S	S	.	.	H	α-helix	trans	-73.1	-36.6	174.9	-71.5	162.6	0	0	0	112.4	R547 E685 M686 L687 Q693	R547-L689 VanDerWaalsContact NH2-CD2 3.29Å; E685-L689 PolarHBondContact O-N 2.85Å; M686-L689 WeakPolarHBondContact O-CB 3.38Å; M686-L689 PolarHBondContact O-N 2.77Å; L687-L689 VanDerWaalsContact C-N 3.3Å; L687-L689 PolarHBondContact O-N 2.8Å; L689-Q693 WeakPolarHBondContact O-CG 3.3Å; L689-Q693 PolarHBondContact O-N 2.99Å; L689-Q693 VanDerWaalsContact O-N 3.12Å; L689-Q693 PolarHBondContact O-NE2 3.4Å
690	E	85.8	Confident	83.2	Confident	110 Å²	110	71.8 Å²	71.8	51%	0.514	35%	0.345	S	S	.	.	H	α-helix	trans	-68.8	-43	175.8	-71.4	173.3	-175.2	0	0	111.5	M686 L687 E692 Q693 L694	M686-E690 PolarHBondContact O-N 3.47Å; L687-E690 PolarHBondContact O-N 2.91Å; E690-E692 PolarHBondContact O-N 3.47Å; E690-Q693 PolarHBondContact O-N 2.91Å; E690-L694 WeakPolarHBondContact O-CG 3.25Å; E690-L694 PolarHBondContact O-N 3.05Å
691	M	83.4	Confident	81.6	Confident	56 Å²	56	69.5 Å²	69.5	28%	0.276	35%	0.347	S	S	.	.	H	α-helix	trans	-59	-44.9	173.6	-72.2	-179.4	73.7	0	0	111.6	L687 Q693 L694 E695	L687-M691 HydrophobicContact CD1-CG 4.41Å; L687-M691 HydrophobicContact CG-CG 4.44Å; L687-M691 HydrophobicContact CG-SD 4.27Å; L687-M691 WeakPolarHBondContact O-CB 3.41Å; L687-M691 VanDerWaalsContact O-CG 3.27Å; L687-M691 WeakPolarHBondContact O-CG 3.32Å; L687-M691 PolarHBondContact O-N 2.95Å; M691-Q693 VanDerWaalsContact C-N 3.31Å; M691-Q693 PolarHBondContact O-N 3.41Å; M691-L694 PolarHBondContact O-N 3.33Å; M691-E695 WeakPolarHBondContact O-CB 3.41Å; M691-E695 WeakPolarHBondContact O-CG 3.21Å; M691-E695 PolarHBondContact O-N 2.79Å
692	E	82.8	Confident	79.8	Confident	8 Å²	8	75.8 Å²	75.8	4%	0.037	37%	0.374	C	S	.	.	H	α-helix	trans	-62.7	-36.7	177.1	-168.6	-172.4	166.2	0	0	112.4	R542 Q544 R547 L688 E690 R696	R542-E692 WeakPolarHBondContact O-CG 3.46Å; Q544-E692 WeakPolarHBondContact CB-OE1 3.49Å; Q544-E692 WeakPolarHBondContact CB-OE2 3.42Å; Q544-E692 PolarHBondContact N-OE1 2.85Å; Q544-E692 PolarHBondContact N-OE2 3.47Å; Q544-E692 VanDerWaalsContact N-OE2 3.17Å; R547-E692 IonicContact CZ-OE2 3.18Å; R547-E692 IonicContact NH1-OE2 2.68Å; R547-E692 PolarHBondContact NH1-OE2 2.76Å; R547-E692 IonicContact NH2-OE2 2.72Å; R547-E692 PolarHBondContact NH2-OE2 3.37Å; L688-E692 WeakPolarHBondContact O-CB 3.21Å; L688-E692 PolarHBondContact O-N 3.28Å; E690-E692 PolarHBondContact O-N 3.47Å; E692-R696 VanDerWaalsContact CD-NH1 3.25Å; E692-R696 WeakPolarHBondContact O-CG 3.43Å; E692-R696 PolarHBondContact O-N 2.66Å; E692-R696 IonicContact OE1-CZ 3.24Å; E692-R696 IonicContact OE1-NH1 3Å; E692-R696 PolarHBondContact OE1-NH1 2.85Å; E692-R696 IonicContact OE1-NH2 2.68Å; E692-R696 PolarHBondContact OE1-NH2 3.47Å
693	Q	83.3	Confident	77.8	Confident	107 Å²	107	78.6 Å²	78.6	50%	0.5	39%	0.39	S	S	.	.	H	α-helix	trans	-68.8	-40	174.6	-73.9	173.1	50.9	0	0	112.2	L689 E690 M691 R696 Q697	L689-Q693 WeakPolarHBondContact O-CG 3.3Å; L689-Q693 PolarHBondContact O-N 2.99Å; L689-Q693 VanDerWaalsContact O-N 3.12Å; L689-Q693 PolarHBondContact O-NE2 3.4Å; E690-Q693 PolarHBondContact O-N 2.91Å; M691-Q693 VanDerWaalsContact C-N 3.31Å; M691-Q693 PolarHBondContact O-N 3.41Å; Q693-R696 PolarHBondContact O-N 3.29Å; Q693-Q697 WeakPolarHBondContact O-CB 3.32Å; Q693-Q697 VanDerWaalsContact O-CG 3.22Å; Q693-Q697 WeakPolarHBondContact O-CG 3.48Å; Q693-Q697 PolarHBondContact O-N 2.83Å
694	L	81.9	Confident	75.9	Confident	92 Å²	92	77 Å²	77	48%	0.482	39%	0.388	S	S	.	.	H	α-helix	trans	-67	-41.5	175.5	-70.5	168.2	0	0	0	111.8	E690 M691 Q697 Q698	E690-L694 WeakPolarHBondContact O-CG 3.25Å; E690-L694 PolarHBondContact O-N 3.05Å; M691-L694 PolarHBondContact O-N 3.33Å; L694-Q697 PolarHBondContact O-N 2.92Å; L694-Q698 WeakPolarHBondContact O-CB 3.5Å; L694-Q698 VanDerWaalsContact O-CG 3.29Å; L694-Q698 WeakPolarHBondContact O-CG 3.36Å; L694-Q698 PolarHBondContact O-N 3.42Å
695	E	79.9	Confident	74.1	Confident	79 Å²	79	77.7 Å²	77.7	37%	0.369	40%	0.398	S	S	.	.	H	α-helix	trans	-60.3	-46.6	173.7	-73.9	174	-168.9	0	0	110.7	R542 M691 Q698 S699	R542-E695 IonicContact CZ-OE1 2.75Å; R542-E695 IonicContact NH1-OE1 2.69Å; R542-E695 PolarHBondContact NH1-OE1 3.16Å; M691-E695 WeakPolarHBondContact O-CB 3.41Å; M691-E695 WeakPolarHBondContact O-CG 3.21Å; M691-E695 PolarHBondContact O-N 2.79Å; E695-Q698 PolarHBondContact O-N 3.29Å; E695-S699 PolarHBondContact O-N 2.72Å
696	R	78.3	Confident	72.1	Confident	93 Å²	93	81.1 Å²	81.1	35%	0.351	42%	0.417	S	S	.	.	H	α-helix	trans	-59	-50.4	173.3	-77.8	-168.2	179.3	98.6	2.7	112	E545 E692 Q693 Q698 S699 D700	E545-R696 IonicContact OE1-CZ 3.85Å; E545-R696 IonicContact OE1-NH2 3.67Å; E545-R696 PolarHBondContact OE1-NH2 3Å; E692-R696 VanDerWaalsContact CD-NH1 3.25Å; E692-R696 WeakPolarHBondContact O-CG 3.43Å; E692-R696 PolarHBondContact O-N 2.66Å; E692-R696 IonicContact OE1-CZ 3.24Å; E692-R696 IonicContact OE1-NH1 3Å; E692-R696 PolarHBondContact OE1-NH1 2.85Å; E692-R696 IonicContact OE1-NH2 2.68Å; E692-R696 PolarHBondContact OE1-NH2 3.47Å; Q693-R696 PolarHBondContact O-N 3.29Å; R696-Q698 VanDerWaalsContact C-N 3.29Å; R696-Q698 PolarHBondContact O-N 3Å; R696-S699 PolarHBondContact O-N 2.88Å; R696-S699 VanDerWaalsContact O-N 3.08Å; R696-S699 PolarHBondContact O-OG 2.87Å; R696-D700 PolarHBondContact O-N 3.28Å
697	Q	77.2	Confident	70.4	Confident	122 Å²	122	82.9 Å²	82.9	57%	0.57	42%	0.422	S	S	*	.	H	α-helix	trans	-60.5	-34.8	179.6	-73.5	170.7	27.9	0	0	113	Q693 L694 G701	Q693-Q697 WeakPolarHBondContact O-CB 3.32Å; Q693-Q697 VanDerWaalsContact O-CG 3.22Å; Q693-Q697 WeakPolarHBondContact O-CG 3.48Å; Q693-Q697 PolarHBondContact O-N 2.83Å; L694-Q697 PolarHBondContact O-N 2.92Å; Q697-G701 PolarHBondContact O-N 3.35Å
698	Q	74.1	Confident	68.5	Low	117 Å²	117	85.7 Å²	85.7	55%	0.547	43%	0.433	S	S	.	.	H	α-helix	trans	-70.9	-36.7	174.4	-72.4	175.6	35.4	0	0	112.4	L694 E695 R696 G701 K702	L694-Q698 WeakPolarHBondContact O-CB 3.5Å; L694-Q698 VanDerWaalsContact O-CG 3.29Å; L694-Q698 WeakPolarHBondContact O-CG 3.36Å; L694-Q698 PolarHBondContact O-N 3.42Å; E695-Q698 PolarHBondContact O-N 3.29Å; R696-Q698 VanDerWaalsContact C-N 3.29Å; R696-Q698 PolarHBondContact O-N 3Å; Q698-G701 PolarHBondContact O-N 2.88Å; Q698-K702 PolarHBondContact O-N 2.76Å
699	S	67	Low	66.8	Low	58 Å²	58	90 Å²	90	41%	0.406	45%	0.454	S	S	.	.	H	α-helix	trans	-67.3	-44	174.4	68.3	0	0	0	0	112.5	E695 R696 G701 K702 L703	E695-S699 PolarHBondContact O-N 2.72Å; R696-S699 PolarHBondContact O-N 2.88Å; R696-S699 VanDerWaalsContact O-N 3.08Å; R696-S699 PolarHBondContact O-OG 2.87Å; S699-G701 VanDerWaalsContact C-N 3.31Å; S699-G701 PolarHBondContact O-N 3.43Å; S699-K702 PolarHBondContact O-N 3.36Å; S699-L703 WeakPolarHBondContact O-CG 3.2Å; S699-L703 PolarHBondContact O-N 2.86Å
700	D	64.5	Low	65.1	Low	91 Å²	91	93.5 Å²	93.5	49%	0.487	47%	0.468	S	S	.	.	H	α-helix	trans	-66.7	-33.1	173.2	-78.7	-33.9	0	0	0	112.1	R696 L703 N704	R696-D700 PolarHBondContact O-N 3.28Å; D700-L703 PolarHBondContact O-N 2.68Å; D700-N704 VanDerWaalsContact O-CB 3.32Å; D700-N704 WeakPolarHBondContact O-CB 3.14Å; D700-N704 VanDerWaalsContact O-CG 3.3Å; D700-N704 PolarHBondContact O-N 2.69Å; D700-N704 PolarHBondContact O-ND2 3.42Å
701	G	57.9	Low	63.4	Low	40 Å²	40	97.5 Å²	97.5	41%	0.412	48%	0.479	S	S	.	.	H	α-helix	trans	-59.1	-50.5	172	0	0	0	0	0	112.3	Q697 Q698 S699 N704 S705	Q697-G701 PolarHBondContact O-N 3.35Å; Q698-G701 PolarHBondContact O-N 2.88Å; S699-G701 VanDerWaalsContact C-N 3.31Å; S699-G701 PolarHBondContact O-N 3.43Å; G701-N704 PolarHBondContact O-N 3.4Å; G701-S705 PolarHBondContact O-N 2.96Å; G701-S705 PolarHBondContact O-OG 3.3Å
702	K	55.2	Low	61.5	Low	152 Å²	152	102.6 Å²	102.6	66%	0.661	50%	0.499	S	S	*	.	H	α-helix	trans	-61.3	-47.7	174.2	-79.5	-177.1	173.5	178.5	0	112.1	Q698 S699 N704 S705 D706	Q698-K702 PolarHBondContact O-N 2.76Å; S699-K702 PolarHBondContact O-N 3.36Å; K702-N704 PolarHBondContact O-N 2.94Å; K702-S705 WeakPolarHBondContact CA-OG 3.32Å; K702-S705 PolarHBondContact O-N 2.71Å; K702-S705 VanDerWaalsContact O-N 3.14Å; K702-S705 PolarHBondContact O-OG 3.08Å; K702-D706 PolarHBondContact O-N 3.05Å
703	L	51.3	Low	59.7	Low	87 Å²	87	111.2 Å²	111.2	46%	0.455	53%	0.531	S	S	.	.	H	α-helix	trans	-60.1	-29.7	177.9	-74.1	167.9	0	0	0	112.7	S699 D700 K707	S699-L703 WeakPolarHBondContact O-CG 3.2Å; S699-L703 PolarHBondContact O-N 2.86Å; D700-L703 PolarHBondContact O-N 2.68Å; L703-K707 WeakPolarHBondContact O-CB 3.44Å; L703-K707 WeakPolarHBondContact O-CD 3.35Å; L703-K707 WeakPolarHBondContact O-CG 3.37Å; L703-K707 PolarHBondContact O-N 3.02Å
704	N	50.8	Low	57.9	Low	98 Å²	98	116.2 Å²	116.2	52%	0.524	55%	0.546	S	S	.	.	H	α-helix	trans	-84.5	-32.5	175	-73.4	-37.6	0	0	0	113.3	D700 G701 K702 H708	D700-N704 VanDerWaalsContact O-CB 3.32Å; D700-N704 WeakPolarHBondContact O-CB 3.14Å; D700-N704 VanDerWaalsContact O-CG 3.3Å; D700-N704 PolarHBondContact O-N 2.69Å; D700-N704 PolarHBondContact O-ND2 3.42Å; G701-N704 PolarHBondContact O-N 3.4Å; K702-N704 PolarHBondContact O-N 2.94Å; N704-H708 WeakPolarHBondContact O-CB 3.45Å; N704-H708 PolarHBondContact O-N 3.48Å
705	S	50.2	Low	56.1	Low	61 Å²	61	118.6 Å²	118.6	43%	0.427	56%	0.559	S	S	.	*	H	α-helix	trans	-65.3	-41.2	171.5	59.5	0	0	0	0	111.8	G701 K702 H708 M709	G701-S705 PolarHBondContact O-N 2.96Å; G701-S705 PolarHBondContact O-OG 3.3Å; K702-S705 WeakPolarHBondContact CA-OG 3.32Å; K702-S705 PolarHBondContact O-N 2.71Å; K702-S705 VanDerWaalsContact O-N 3.14Å; K702-S705 PolarHBondContact O-OG 3.08Å; S705-H708 PolarHBondContact O-N 3.47Å; S705-M709 PolarHBondContact O-N 3Å
706	D	50.3	Low	54.5	Low	93 Å²	93	119.2 Å²	119.2	50%	0.497	57%	0.572	S	S	.	*	H	α-helix	trans	-66.3	-45.9	178.2	-68.6	-20.5	0	0	0	111.1	K702 H708 M709 E710	K702-D706 PolarHBondContact O-N 3.05Å; D706-H708 PolarHBondContact O-N 2.92Å; D706-M709 PolarHBondContact O-N 3.06Å; D706-M709 VanDerWaalsContact O-N 3.13Å; D706-E710 PolarHBondContact O-N 3.28Å
707	K	52.5	Low	52.7	Low	112 Å²	112	123.7 Å²	123.7	49%	0.487	59%	0.594	S	S	.	*	H	α-helix	trans	-59.9	-32.3	172	-73.1	167.3	-165.2	163.1	0	112.7	L703 R711	L703-K707 WeakPolarHBondContact O-CB 3.44Å; L703-K707 WeakPolarHBondContact O-CD 3.35Å; L703-K707 WeakPolarHBondContact O-CG 3.37Å; L703-K707 PolarHBondContact O-N 3.02Å; K707-R711 PolarHBondContact O-N 2.9Å
708	H	46.8	Very low	50.9	Low	134 Å²	134	124.9 Å²	124.9	62%	0.62	61%	0.61	S	S	*	*	H	α-helix	trans	-73.5	-36.9	176.2	-157.5	-17.8	0	0	0	111.8	N704 S705 D706 K712	N704-H708 WeakPolarHBondContact O-CB 3.45Å; N704-H708 PolarHBondContact O-N 3.48Å; S705-H708 PolarHBondContact O-N 3.47Å; D706-H708 PolarHBondContact O-N 2.92Å; H708-K712 WeakPolarHBondContact O-CB 3.39Å; H708-K712 PolarHBondContact O-N 3.47Å
709	M	47	Very low	49	Very low	114 Å²	114	124.1 Å²	124.1	56%	0.562	62%	0.617	S	S	*	*	H	α-helix	trans	-66.8	-39.9	170.5	-80.8	-170.6	60.8	0	0	112.6	S705 D706 K712 R713	S705-M709 PolarHBondContact O-N 3Å; D706-M709 PolarHBondContact O-N 3.06Å; D706-M709 VanDerWaalsContact O-N 3.13Å; M709-K712 PolarHBondContact O-N 3.14Å; M709-R713 PolarHBondContact O-N 3.31Å
710	E	47	Very low	47.5	Very low	140 Å²	140	128.8 Å²	128.8	65%	0.654	64%	0.637	S	S	*	*	H	α-helix	trans	-63.1	-45	174.5	-76.9	-159.1	116.8	0	0	112.2	D706 K712 R713 R714	D706-E710 PolarHBondContact O-N 3.28Å; E710-K712 PolarHBondContact O-N 3.36Å; E710-R713 PolarHBondContact O-N 2.96Å; E710-R714 PolarHBondContact O-N 2.97Å; E710-R714 VanDerWaalsContact O-N 3.1Å
711	R	49.8	Very low	45.9	Very low	193 Å²	193	129.3 Å²	129.3	73%	0.728	65%	0.648	S	S	*	*	H	α-helix	trans	-57	-49.2	171.8	-90.3	-178.5	157.8	161.7	-5.2	111.3	K707 R713 R714 D715	K707-R711 PolarHBondContact O-N 2.9Å; R711-R713 PolarHBondContact O-N 2.94Å; R711-R714 WeakPolarHBondContact O-CB 3.49Å; R711-R714 PolarHBondContact O-N 2.9Å; R711-D715 PolarHBondContact O-N 3.19Å
712	K	43.7	Very low	44.5	Very low	163 Å²	163	133.1 Å²	133.1	71%	0.709	67%	0.668	S	S	*	*	H	α-helix	trans	-65.8	-18.2	179.8	-152.1	172.7	-172.7	179.2	0	113.8	H708 M709 E710	H708-K712 WeakPolarHBondContact O-CB 3.39Å; H708-K712 PolarHBondContact O-N 3.47Å; M709-K712 PolarHBondContact O-N 3.14Å; E710-K712 PolarHBondContact O-N 3.36Å
713	R	45.8	Very low	43.4	Very low	189 Å²	189	129.6 Å²	129.6	71%	0.713	67%	0.667	S	S	*	*	H	α-helix	trans	-85.2	-21.3	169.4	-82.5	-179.5	166.6	172	-2.7	113.9	M709 E710 R711	M709-R713 PolarHBondContact O-N 3.31Å; E710-R713 PolarHBondContact O-N 2.96Å; R711-R713 PolarHBondContact O-N 2.94Å
714	R	44.3	Very low	42.5	Very low	212 Å²	212	135.1 Å²	135.1	80%	0.8	69%	0.688	S	S	*	*	H	α-helix	trans	-79.2	-35.2	-178.1	-120.6	178.3	-175.1	176.5	3.7	112.9	E710 R711 S716	E710-R714 PolarHBondContact O-N 2.97Å; E710-R714 VanDerWaalsContact O-N 3.1Å; R711-R714 WeakPolarHBondContact O-CB 3.49Å; R711-R714 PolarHBondContact O-N 2.9Å; R714-S716 PolarHBondContact O-N 3.28Å; R714-S716 VanDerWaalsContact O-N 3.12Å
715	D	43.8	Very low	41.5	Very low	143 Å²	143	134.8 Å²	134.8	77%	0.765	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	11.1	-177.8	-55.8	-33.1	0	0	0	113.7	R711	R711-D715 PolarHBondContact O-N 3.19Å
716	S	46.8	Very low	40.6	Very low	92 Å²	92	140.3 Å²	140.3	64%	0.643	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.3	10.2	-174	-52.9	0	0	0	0	115.1	R714	R714-S716 PolarHBondContact O-N 3.28Å; R714-S716 VanDerWaalsContact O-N 3.12Å
717	K	40.3	Very low	39.7	Very low	186 Å²	186	140.4 Å²	140.4	81%	0.809	72%	0.723	S	S	*	*			trans	-138.9	72.5	179.5	-73.2	-162.4	173.5	-170.3	0	114.3
718	T	40.3	Very low	38.6	Very low	147 Å²	147	142.2 Å²	142.2	90%	0.902	74%	0.742	S	S	*	*			trans	-115.5	66.4	161.6	50.3	0	0	0	0	111.1
719	S	34.1	Very low	38	Very low	101 Å²	101	141.1 Å²	141.1	71%	0.706	75%	0.75	S	S	*	*			trans	-159.1	146.8	168.1	54.2	0	0	0	0	112.7
720	L	34.2	Very low	37.1	Very low	157 Å²	157	141.5 Å²	141.5	82%	0.822	76%	0.764	S	S	*	*			trans	67.2	73.1	158.8	-61.8	163.1	0	0	0	119.7
721	S	31.6	Very low	36.3	Very low	102 Å²	102	139.9 Å²	139.9	71%	0.713	77%	0.768	S	S	*	*				29	142.4	118.3	63.4	0	0	0	0	123.6
722	S	29.6	Very low	35.5	Very low	119 Å²	119	137.3 Å²	137.3	83%	0.832	77%	0.774	S	S	*	*			trans	81.7	140.2	139.5	-166.5	0	0	0	0	119.1
723	A	30.5	Very low	34.9	Very low	78 Å²	78	132.3 Å²	132.3	65%	0.645	77%	0.769	S	S	*	*			cis	-169.8	165.4	-22.8	0	0	0	0	0	110.1
724	K	32.4	Very low	34.4	Very low	203 Å²	203	129.5 Å²	129.5	88%	0.883	78%	0.778	S	S	*	*			trans	65	157.9	166.8	-70.4	-178.5	178.6	178.6	0	116.9
725	S	30	Very low	33.8	Very low	91 Å²	91	124.3 Å²	124.3	64%	0.636	77%	0.774	S	S	*	*			cis	-168.6	142.7	-27.1	52.4	0	0	0	0	112.7
726	M	31.1	Very low	33.4	Very low	177 Å²	177	121.7 Å²	121.7	87%	0.872	77%	0.767	S	S	*	*			trans	67.3	158.8	149.5	-66.9	-99.2	52.6	0	0	119.9
727	S	32.8	Very low	32.7	Very low	96 Å²	96	124.2 Å²	124.2	67%	0.671	78%	0.779	S	S	*	*			trans	-118.3	156.7	-170.9	53.4	0	0	0	0	111.6
728	V	29.5	Very low	32.3	Very low	149 Å²	149	118.6 Å²	118.6	90%	0.903	77%	0.774	S	S	*	*			trans	-130.4	144	158.5	-177.7	0	0	0	0	109.1
729	S	33.8	Very low	31.9	Very low	112 Å²	112	121 Å²	121	78%	0.783	77%	0.772	S	S	*	*			trans	-136.3	152.1	175.6	56	0	0	0	0	109.9
730	S	27.5	Very low	31.8	Very low	121 Å²	121	124.5 Å²	124.5	85%	0.846	78%	0.777	S	S	*	*			trans	-141.9	123.5	170	43.3	0	0	0	0	111.6
731	S	31.1	Very low	31.6	Very low	107 Å²	107	121.9 Å²	121.9	75%	0.748	77%	0.768	S	S	*	*			trans	-83.4	169.5	159.9	46.9	0	0	0	0	108.9
732	T	32.2	Very low	31.6	Very low	138 Å²	138	128 Å²	128	85%	0.847	78%	0.775	S	S	*	*				-173.7	168.6	65.9	43.4	0	0	0	0	109.9
733	G	32.2	Very low	31.7	Very low	59 Å²	59	132 Å²	132	61%	0.608	78%	0.777	S	S	*	*			cis	153.7	152.4	-11.8	0	0	0	0	0	114.9
734	S	34	Very low	31.6	Very low	130 Å²	130	133.1 Å²	133.1	91%	0.909	79%	0.787	S	S	*	*			trans	70.9	160.1	168.1	85.5	0	0	0	0	117
735	S	32.6	Very low	31.7	Very low	102 Å²	102	133.1 Å²	133.1	71%	0.713	79%	0.787	S	S	*	*			cis	-156.1	161.4	3.8	122	0	0	0	0	109.4
736	S	34.5	Very low	31.5	Very low	89 Å²	89	137.1 Å²	137.1	62%	0.622	80%	0.8	S	S	*	*			cis	-176	-166	-17.4	58.5	0	0	0	0	109.2
737	T	32.5	Very low	31.4	Very low	145 Å²	145	133.2 Å²	133.2	89%	0.89	79%	0.791	S	S	*	*			trans	71.5	158.8	176.8	78.4	0	0	0	0	116.3
738	G	31.1	Very low	31.2	Very low	68 Å²	68	139.4 Å²	139.4	70%	0.701	80%	0.799	S	S	*	*			cis	175.1	138.2	-14.3	0	0	0	0	0	115.9
739	K	32	Very low	31.2	Very low	198 Å²	198	137.5 Å²	137.5	86%	0.861	79%	0.792	S	S	*	*			trans	65.8	126.3	170.7	-62.9	-175.3	178	179	0	117.7
740	E	33	Very low	31	Very low	173 Å²	173	143.3 Å²	143.3	81%	0.808	80%	0.797	S	S	*	*			cis	111.7	146.6	23.8	-88.2	-162.8	125.2	0	0	111.3
741	T	30.6	Very low	31	Very low	103 Å²	103	142.8 Å²	142.8	63%	0.632	79%	0.793	S	S	*	*			cis	-122.6	-164.3	4.1	59.1	0	0	0	0	109.5
742	R	30.8	Very low	30.8	Very low	229 Å²	229	146.1 Å²	146.1	86%	0.864	80%	0.802	S	S	*	*			cis	-150	-152.3	4	-140.5	153.4	-161.1	176.1	4.8	110
743	K	31.5	Very low	30.6	Very low	203 Å²	203	144.3 Å²	144.3	88%	0.883	80%	0.795	S	S	*	*			trans	-153	158.5	-173.6	-63.3	171.4	-176.3	160.6	0	113.3
744	A	28.5	Very low	30.4	Very low	103 Å²	103	147.3 Å²	147.3	85%	0.851	81%	0.806	S	S	*	*			trans	-148.3	152.2	138.9	0	0	0	0	0	110.5
745	K	33.8	Very low	30.2	Very low	202 Å²	202	148.7 Å²	148.7	88%	0.878	80%	0.799	S	S	*	*			trans	-141.9	154.5	173.4	-73	-175	176	-175.3	0	108.3
746	L	27	Very low	30.1	Very low	175 Å²	175	150 Å²	150	92%	0.916	81%	0.805	S	S	*	*			trans	-166.7	-173.8	137.9	-106.6	163.2	0	0	0	111.2
747	S	28.6	Very low	29.7	Very low	96 Å²	96	150.9 Å²	150.9	67%	0.671	81%	0.807	S	S	*	*			trans	-154.3	174.7	-149.9	62.1	0	0	0	0	116.3
748	R	28.7	Very low	29.5	Very low	226 Å²	226	149.4 Å²	149.4	85%	0.853	80%	0.802	S	S	*	*			trans	79.9	106.1	159.5	-74.6	179.4	162.7	161.2	-5.4	121.1
749	S	29.3	Very low	29.3	Very low	108 Å²	108	152 Å²	152	76%	0.755	81%	0.81	S	S	*	*				78.3	147	111.8	-54.8	0	0	0	0	123.3
750	R	28.6	Very low	29.1	Very low	235 Å²	235	152.2 Å²	152.2	89%	0.887	81%	0.811	S	S	*	*			trans	84.9	101.3	159.4	-70.1	-177.6	174.1	176.5	-2.3	120.2
751	S	28.1	Very low	29.6	Very low	109 Å²	109	149.2 Å²	149.2	76%	0.762	81%	0.806	S	S	*	*				17.7	136.1	124.2	-35.7	0	0	0	0	120.9
752	L	27.2	Very low	29.4	Very low	178 Å²	178	150.8 Å²	150.8	93%	0.932	82%	0.815	S	S	*	*				-170.8	169.2	102.5	-102.8	171.9	0	0	0	114.8
753	S	27.5	Very low	29.2	Very low	99 Å²	99	147.1 Å²	147.1	69%	0.692	81%	0.812	S	S	*	*			trans	-80.2	157.5	-174.5	130	0	0	0	0	114.2
754	S	28.9	Very low	29	Very low	122 Å²	122	142.5 Å²	142.5	85%	0.853	81%	0.806	S	S	*	*			trans	-137.6	144.3	145.9	53.3	0	0	0	0	111.1
755	Q	28.9	Very low	28.9	Very low	159 Å²	159	145.4 Å²	145.4	74%	0.743	81%	0.807	S	S	*	*			trans	-101.2	173.2	172.1	-69.5	-174.7	-14.4	0	0	110.2
756	P	31	Very low	28.6	Very low	130 Å²	130	147 Å²	147	84%	0.844	81%	0.808	S	S	*	*				-124.2	164.2	127.5	28.3	-16	0	0	0	113.1
757	T	27.1	Very low	29.6	Very low	108 Å²	108	144 Å²	144	66%	0.663	80%	0.799	S	S	*	*			trans	-115.5	136.8	-158.2	50.1	0	0	0	0	114.8
758	S	27.8	Very low	29.6	Very low	113 Å²	113	147.2 Å²	147.2	79%	0.79	81%	0.807	S	S	*	*			trans	40.2	130.6	142.9	65.1	0	0	0	0	122.1
759	S	26	Very low	29.5	Very low	123 Å²	123	145.1 Å²	145.1	86%	0.86	80%	0.804	S	S	*	*				-141.7	161.8	128.9	57.5	0	0	0	0	111.4
760	K	27.9	Very low	29.4	Very low	203 Å²	203	147.3 Å²	147.3	88%	0.883	81%	0.813	S	S	*	*			trans	-159.8	171.7	-174.3	-103.1	-170.2	179.5	-174.5	0	106.5
761	P	43.6	Very low	29.3	Very low	110 Å²	110	144.2 Å²	144.2	71%	0.714	81%	0.806	S	S	*	*			cis	-129.5	-171.2	-3.8	39.1	-21.9	0	0	0	113
762	V	26.3	Very low	29.3	Very low	135 Å²	135	146.4 Å²	146.4	82%	0.818	81%	0.809	S	S	*	*				-177.8	149.9	118.9	150.4	0	0	0	0	108.7
763	N	26.9	Very low	29.3	Very low	152 Å²	152	144.8 Å²	144.8	81%	0.813	80%	0.801	S	S	*	*			trans	-103.6	152	-177.8	-75.7	-11.5	0	0	0	112.7
764	S	27.7	Very low	29.2	Very low	107 Å²	107	145.9 Å²	145.9	75%	0.748	81%	0.808	S	S	*	*			trans	-165.5	111.7	130.5	41.9	0	0	0	0	112.5
765	D	25.8	Very low	29.1	Very low	163 Å²	163	144 Å²	144	87%	0.872	81%	0.809	S	S	*	*			trans	55.9	150.1	139.3	-51.9	-32.4	0	0	0	125.6
766	R	27.2	Very low	28.9	Very low	237 Å²	237	141.9 Å²	141.9	89%	0.894	81%	0.811	S	S	*	*			trans	-136.4	172.2	169.1	-88.1	-178.7	165.4	-170.3	-2.1	105.9
767	P	49.6	Very low	28.8	Very low	112 Å²	112	141.6 Å²	141.6	73%	0.727	81%	0.812	S	S	*	*			cis	-125.1	-161.7	-46.7	39.5	-24.2	0	0	0	108.5
768	L	27.5	Very low	28.7	Very low	163 Å²	163	140 Å²	140	85%	0.853	82%	0.817	S	S	*	*			trans	-165.3	171.5	136.2	-111.1	169.5	0	0	0	113.9
769	K	27	Very low	28.7	Very low	181 Å²	181	143.1 Å²	143.1	79%	0.787	82%	0.824	S	S	*	*			trans	-93.9	152.2	-173.2	-50.7	157.5	-178.9	169.3	0	111.4
770	V	26.8	Very low	28.7	Very low	154 Å²	154	140.3 Å²	140.3	93%	0.933	82%	0.815	S	S	*	*			trans	-130.6	165.8	133.3	-176.9	0	0	0	0	107.6
771	K	26.3	Very low	28.6	Very low	170 Å²	170	140.4 Å²	140.4	74%	0.739	82%	0.815	S	S	*	*			trans	-133.6	135.4	-164.6	171.3	-167	174.9	-170.2	0	108.6
772	D	27.6	Very low	27.8	Very low	156 Å²	156	139.3 Å²	139.3	83%	0.834	81%	0.81	S	S	*	*			trans	-59.5	141.7	173.4	-66	-61.1	0	0	0	112.1
773	L	27.7	Very low	27.8	Very low	144 Å²	144	138.3 Å²	138.3	75%	0.754	80%	0.804	S	S	*	*			trans	-163.2	140.5	154.4	-113.9	178.3	0	0	0	113.6
774	S	26.5	Very low	27.8	Very low	121 Å²	121	141 Å²	141	85%	0.846	80%	0.803	S	S	*	*			trans	72.2	134.1	159.5	72.2	0	0	0	0	119.6
775	G	25.7	Very low	27.7	Very low	84 Å²	84	140.6 Å²	140.6	87%	0.866	79%	0.793	S	S	*	*			trans	171.6	59.9	-177.9	0	0	0	0	0	109.4
776	S	25.8	Very low	27.6	Very low	113 Å²	113	139.7 Å²	139.7	79%	0.79	79%	0.788	S	S	*	*			trans	-95.7	166.1	-161.4	-170.3	0	0	0	0	114.6
777	S	27.3	Very low	27.6	Very low	124 Å²	124	133.1 Å²	133.1	87%	0.867	78%	0.778	S	S	*	*			trans	91.7	140.6	162	78.7	0	0	0	0	118.1
778	G	26.1	Very low	26.5	Very low	74 Å²	74	132.8 Å²	132.8	76%	0.763	77%	0.774	S	S	*	*			trans	177.7	-15.3	-170.7	0	0	0	0	0	118
779	L	27.9	Very low	26.4	Very low	179 Å²	179	135.9 Å²	135.9	94%	0.937	77%	0.774	S	S	*	*			trans	65.6	144.6	160.7	-131.9	75	0	0	0	121.3
780	G	25.5	Very low	26.3	Very low	65 Å²	65	133.4 Å²	133.4	67%	0.67	77%	0.774	S	S	*	*			trans	80.3	107.4	153.1	0	0	0	0	0	117.2
781	K	26	Very low	26.3	Very low	204 Å²	204	129.6 Å²	129.6	89%	0.887	76%	0.759	S	S	*	*			cis	63.8	136.4	46.7	-65.2	-169.1	175.6	-176.7	0	115.2
782	S	26.1	Very low	26.2	Very low	88 Å²	88	128.8 Å²	128.8	62%	0.615	76%	0.758	S	S	*	*			cis	-173.1	-173.9	-12.3	53.3	0	0	0	0	111
783	T	26	Very low	25.9	Very low	113 Å²	113	129.7 Å²	129.7	69%	0.693	75%	0.754	S	S	*	*			trans	70.4	116	150.9	36.9	0	0	0	0	117
784	R	27.7	Very low	25.7	Very low	210 Å²	210	128.7 Å²	128.7	79%	0.792	75%	0.754	S	S	*	*				87.4	151.1	64.3	-84.6	179.3	154.5	-132.8	11	112.4
785	D	25.7	Very low	25.6	Very low	98 Å²	98	129.5 Å²	129.5	52%	0.524	75%	0.748	S	S	.	*			cis	-152.3	172.8	8.8	-116.8	-30	0	0	0	111.5
786	D	24.2	Very low	25.5	Very low	143 Å²	143	131.6 Å²	131.6	77%	0.765	75%	0.745	S	S	*	*			trans	62.9	158.3	152	-74.8	-33.4	0	0	0	121.2
787	S	26.2	Very low	25.5	Very low	99 Å²	99	132.3 Å²	132.3	69%	0.692	74%	0.744	S	S	*	*			cis	-171.8	-172.4	-20.7	60.7	0	0	0	0	108.3
788	V	26.7	Very low	25.4	Very low	105 Å²	105	135.9 Å²	135.9	64%	0.636	75%	0.747	S	S	*	*			cis	-158.8	136	2.4	81.2	0	0	0	0	112.4
789	R	26.1	Very low	25.4	Very low	228 Å²	228	137.9 Å²	137.9	86%	0.86	75%	0.75	S	S	*	*			trans	57.3	168.3	152.7	-70.6	169.9	-168.4	162.2	2.5	119.1
790	T	25	Very low	25.2	Very low	129 Å²	129	136.4 Å²	136.4	79%	0.791	75%	0.748	S	S	*	*			cis	-142.3	158.2	20.5	-45.5	0	0	0	0	114
791	A	26	Very low	25.1	Very low	74 Å²	74	139 Å²	139	61%	0.612	76%	0.756	S	S	*	*			trans	-82.9	-177.7	-176.3	0	0	0	0	0	113.7
792	H	24.5	Very low	25	Very low	154 Å²	154	135 Å²	135	71%	0.713	75%	0.754	S	S	*	*				-158.6	151.9	56.4	-89.7	-101.6	0	0	0	115.3
793	F	22.1	Very low	25	Very low	175 Å²	175	138.2 Å²	138.2	77%	0.768	76%	0.761	S	S	*	*			trans	26.1	139.2	139.4	-67.2	-111.5	0	0	0	119.5
794	T	22.2	Very low	25.1	Very low	122 Å²	122	138.6 Å²	138.6	75%	0.748	77%	0.765	S	S	*	*			cis	-155	-157.6	29.3	-15.5	0	0	0	0	109.3
795	L	24	Very low	25.1	Very low	138 Å²	138	135.2 Å²	135.2	72%	0.723	77%	0.768	S	S	*	*			cis	-158.3	144.7	6.5	-135.2	-179.8	0	0	0	111.4
796	T	23.9	Very low	25.2	Very low	129 Å²	129	137.4 Å²	137.4	79%	0.791	78%	0.779	S	S	*	*			trans	61.2	143.2	160.8	29.4	0	0	0	0	122.5
797	T	26.8	Very low	25.5	Very low	127 Å²	127	137 Å²	137	78%	0.779	78%	0.775	S	S	*	*			trans	-90.4	145.9	172.6	51.2	0	0	0	0	113.3
798	Q	25.4	Very low	25.8	Very low	200 Å²	200	142 Å²	142	94%	0.935	78%	0.779	S	S	*	*			trans	-157.4	146.8	135.3	-114	174.9	39.2	0	0	110.9
799	S	25.7	Very low	25.9	Very low	116 Å²	116	140.4 Å²	140.4	81%	0.811	77%	0.772	S	S	*	*			trans	-117.1	119.4	-168.5	-50.9	0	0	0	0	111.9
800	T	23.6	Very low	26	Very low	147 Å²	147	139.5 Å²	139.5	90%	0.902	77%	0.774	S	S	*	*			trans	-134.6	153.2	163.2	50.8	0	0	0	0	110.2
801	S	23.3	Very low	26.4	Very low	121 Å²	121	137 Å²	137	85%	0.846	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-81.8	122.4	-165	53.1	0	0	0	0	113.6
802	S	24.4	Very low	26.7	Very low	119 Å²	119	139.6 Å²	139.6	83%	0.832	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-79.2	141.5	170.8	47.8	0	0	0	0	112.4
803	M	24.9	Very low	27.1	Very low	156 Å²	156	136 Å²	136	77%	0.768	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-94.1	153.7	163.9	-69.6	-157.1	74.2	0	0	110.8
804	P	29.5	Very low	27.8	Very low	120 Å²	120	132.4 Å²	132.4	78%	0.779	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-75.1	138.8	-178.1	-14.6	30.7	0	0	0	113.4
805	V	26	Very low	28.5	Very low	139 Å²	139	131.5 Å²	131.5	84%	0.842	74%	0.738	S	S	*	*			trans	-36	127	173	178.2	0	0	0	0	114.4
806	L	29.5	Very low	28.9	Very low	144 Å²	144	130.5 Å²	130.5	75%	0.754	73%	0.733	S	S	*	*			trans	-66.1	140.7	168.5	-78.5	167.2	0	0	0	111.7	R808	L806-R808 VanDerWaalsContact C-N 3.34Å; L806-R808 PolarHBondContact O-N 3.17Å
807	I	29.4	Very low	29.2	Very low	134 Å²	134	130 Å²	130	69%	0.687	72%	0.722	S	S	*	*			trans	-73.3	83.8	179.5	-55.6	176.1	0	0	0	110.6	L687 S809	L687-I807 HydrophobicContact CD2-CD1 4.41Å; I807-S809 VanDerWaalsContact C-N 3.29Å; I807-S809 PolarHBondContact O-N 2.91Å
808	R	33.3	Very low	29.4	Very low	204 Å²	204	127.9 Å²	127.9	77%	0.77	72%	0.718	S	S	*	*			trans	-84.3	68.1	162	-90.7	-169.2	165.4	152.9	6.6	111	S453 L806	S453-R808 PolarHBondContact O-NH1 2.83Å; S453-R808 PolarHBondContact O-NH2 3.13Å; L806-R808 VanDerWaalsContact C-N 3.34Å; L806-R808 PolarHBondContact O-N 3.17Å
809	S	28.1	Very low	29.8	Very low	72 Å²	72	123.2 Å²	123.2	50%	0.503	71%	0.707	S	S	.	*			trans	-82.9	128.2	167.9	57	0	0	0	0	110.6	I807 T811	I807-S809 VanDerWaalsContact C-N 3.29Å; I807-S809 PolarHBondContact O-N 2.91Å; S809-T811 PolarHBondContact O-N 3.02Å; S809-T811 PolarHBondContact O-OG1 3.48Å
810	K	29.3	Very low	29.9	Very low	209 Å²	209	123.7 Å²	123.7	91%	0.909	70%	0.699	S	S	*	*			trans	-59.7	107.1	177.7	-64.9	-179.7	178.3	-177.9	0	111
811	T	32.2	Very low	30.1	Very low	78 Å²	78	123.7 Å²	123.7	48%	0.479	69%	0.693	S	S	.	*			trans	-117.6	37.1	-179.3	44.5	0	0	0	0	112.7	S809 S813	S809-T811 PolarHBondContact O-N 3.02Å; S809-T811 PolarHBondContact O-OG1 3.48Å; T811-S813 PolarHBondContact O-N 3.03Å
812	T	31.9	Very low	30.4	Very low	128 Å²	128	127.2 Å²	127.2	79%	0.785	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	17.5	-175.6	70.1	0	0	0	0	113.8
813	S	34.1	Very low	30.7	Very low	77 Å²	77	130.1 Å²	130.1	54%	0.538	70%	0.697	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.5	-37	-168.6	152.5	0	0	0	0	119.4	T811	T811-S813 PolarHBondContact O-N 3.03Å
814	L	35.5	Very low	30.8	Very low	100 Å²	100	133.9 Å²	133.9	52%	0.524	70%	0.702	S	S	.	*	S	Bend	trans	-121.3	5.4	-142.9	-71.9	175	0	0	0	117.6	L677	L677-L814 HydrophobicContact CD1-CD1 4.2Å
815	L	37.1	Very low	30.7	Very low	104 Å²	104	136.8 Å²	136.8	55%	0.545	71%	0.706	S	S	.	*	S	Bend	trans	-97.2	-42.7	173.6	-71.8	172	0	0	0	112.2	Q817	L815-Q817 VanDerWaalsContact C-N 3.29Å; L815-Q817 PolarHBondContact O-N 3.32Å
816	D	32.4	Very low	30.8	Very low	116 Å²	116	139 Å²	139	62%	0.62	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-72.2	-17.2	-179	-58	-61.5	0	0	0	114.4	A818 S819	D816-A818 VanDerWaalsContact C-N 3.29Å; D816-A818 PolarHBondContact O-N 3.46Å; D816-S819 PolarHBondContact O-OG 2.92Å; D816-S819 VanDerWaalsContact O-OG 3.12Å
817	Q	31.7	Very low	30.6	Very low	120 Å²	120	143.9 Å²	143.9	56%	0.561	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-79.4	-9.1	-170.5	-150.5	169.4	25.5	0	0	114.2	L815	L815-Q817 VanDerWaalsContact C-N 3.29Å; L815-Q817 PolarHBondContact O-N 3.32Å
818	A	31	Very low	30.4	Very low	82 Å²	82	147.6 Å²	147.6	68%	0.678	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-80.5	-24.8	-179.5	0	0	0	0	0	113.9	D816	D816-A818 VanDerWaalsContact C-N 3.29Å; D816-A818 PolarHBondContact O-N 3.46Å
819	S	32.3	Very low	30.1	Very low	101 Å²	101	143.7 Å²	143.7	71%	0.706	73%	0.73	S	S	*	*	S	Bend	trans	-87.1	-13.5	-175.1	55.3	0	0	0	0	114.5	D816	D816-S819 PolarHBondContact O-OG 2.92Å; D816-S819 VanDerWaalsContact O-OG 3.12Å
820	L	28.3	Very low	30	Very low	126 Å²	126	146.3 Å²	146.3	66%	0.66	74%	0.743	S	S	*	*	S	Bend	trans	-94.4	0.8	-173.4	-77.3	166.5	0	0	0	114.8
821	L	29.1	Very low	29.9	Very low	147 Å²	147	144 Å²	144	77%	0.77	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-7.8	-170.7	-80.6	166.1	0	0	0	115.6
822	E	29.4	Very low	29.6	Very low	195 Å²	195	147.3 Å²	147.3	91%	0.911	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-1.1	179.1	-65	-166.7	142.8	0	0	114.7
823	Q	30	Very low	29.4	Very low	181 Å²	181	150.7 Å²	150.7	85%	0.846	76%	0.761	S	S	*	*	S	Bend	trans	-119.7	19.8	-174	-73.8	-165.4	-15.8	0	0	115.8
824	R	26.6	Very low	29.1	Very low	234 Å²	234	159 Å²	159	88%	0.883	78%	0.781	S	S	*	*			trans	-131.8	56	-178.6	-97.1	-172.1	174.5	-177.5	-0.5	116.4
825	E	27.1	Very low	28.7	Very low	182 Å²	182	161.4 Å²	161.4	85%	0.85	80%	0.799	S	S	*	*			trans	-109.7	104.3	145.3	-68.8	-157.4	148.6	0	0	110
826	H	27.9	Very low	28.2	Very low	185 Å²	185	160.1 Å²	160.1	86%	0.856	81%	0.811	S	S	*	*			trans	178.2	150.3	138	-101	65.8	0	0	0	111.3
827	R	26.2	Very low	27.9	Very low	247 Å²	247	162.1 Å²	162.1	93%	0.932	82%	0.822	S	S	*	*			trans	76	104	178.3	-60.1	-174.4	173.8	179.7	-1.7	117.8
828	K	26	Very low	27.7	Very low	212 Å²	212	165.6 Å²	165.6	92%	0.922	83%	0.83	S	S	*	*			trans	-103	135.4	146.6	-69.7	175.7	177.1	174.9	0	108.4
829	S	26.2	Very low	27.5	Very low	121 Å²	121	166.7 Å²	166.7	85%	0.846	82%	0.824	S	S	*	*			trans	-168.1	126.7	148.7	52	0	0	0	0	110.7
830	T	26	Very low	27.5	Very low	127 Å²	127	170.6 Å²	170.6	78%	0.779	83%	0.832	S	S	*	*			trans	-78.1	152.4	174.1	45.8	0	0	0	0	112.3
831	L	26.5	Very low	27.4	Very low	160 Å²	160	176.4 Å²	176.4	84%	0.838	85%	0.845	S	S	*	*				-163.4	157.2	114.2	-129.9	77.1	0	0	0	112.1
832	D	27.4	Very low	27.4	Very low	148 Å²	148	176.3 Å²	176.3	79%	0.791	85%	0.845	S	S	*	*			trans	-81.2	157.2	177.6	-59.7	-76.3	0	0	0	113
833	H	27	Very low	27.2	Very low	200 Å²	200	175.1 Å²	175.1	93%	0.926	84%	0.839	S	S	*	*			trans	-124.6	128.4	161.5	-91.6	18.3	0	0	0	110.8
834	R	27	Very low	27	Very low	251 Å²	251	173.1 Å²	173.1	95%	0.947	83%	0.831	S	S	*	*			trans	-107.9	142.6	-177.6	-153.1	176.9	-167.1	176	3.8	109.1
835	T	27.2	Very low	27.1	Very low	150 Å²	150	169.4 Å²	169.4	92%	0.92	83%	0.826	S	S	*	*			trans	-71.1	141.6	-175.4	40.3	0	0	0	0	113
836	G	26.1	Very low	27	Very low	77 Å²	77	169.8 Å²	169.8	79%	0.794	83%	0.828	S	S	*	*			trans	-155.8	134.7	170.1	0	0	0	0	0	108.7
837	N	26.3	Very low	27	Very low	158 Å²	158	168.3 Å²	168.3	85%	0.845	82%	0.821	S	S	*	*			trans	-146	163.4	-171.8	-168.9	8.4	0	0	0	109.6
838	R	27.8	Very low	27	Very low	194 Å²	194	168.5 Å²	168.5	73%	0.732	82%	0.822	S	S	*	*			trans	99	134.3	162.9	-68.6	-170.9	64.9	165.8	-4.9	121.1
839	D	28	Very low	27.1	Very low	104 Å²	104	164.1 Å²	164.1	56%	0.556	81%	0.813	S	S	*	*			trans	77.3	91.4	139.5	-57.7	3.6	0	0	0	121.9
840	Q	30.4	Very low	27	Very low	184 Å²	184	163.9 Å²	163.9	86%	0.86	81%	0.811	S	S	*	*				31.7	129.4	116.9	-61.6	-178.6	-7.8	0	0	120.2
841	R	26.6	Very low	27	Very low	247 Å²	247	162.5 Å²	162.5	93%	0.932	81%	0.807	S	S	*	*				-163.2	150.3	115.8	-110.6	167.1	-176.4	174.9	0.9	113.7
842	N	28.7	Very low	27.2	Very low	146 Å²	146	161.9 Å²	161.9	78%	0.781	80%	0.804	S	S	*	*			trans	-83	161.6	173.1	-58.5	-28.6	0	0	0	110.9
843	H	26.5	Very low	27.2	Very low	170 Å²	170	161.9 Å²	161.9	79%	0.787	80%	0.799	S	S	*	*				-168.6	126.6	117.4	-106.5	-75.2	0	0	0	114.4
844	M	26.1	Very low	27.2	Very low	138 Å²	138	159.7 Å²	159.7	68%	0.68	79%	0.789	S	S	*	*			trans	39.1	130.7	138.1	-71.8	172.2	62.5	0	0	124
845	M	27.4	Very low	27.3	Very low	157 Å²	157	158.1 Å²	158.1	77%	0.773	78%	0.783	S	S	*	*				48.8	131.4	128.1	-63.9	-177.5	166.5	0	0	121.4
846	E	26.2	Very low	27.4	Very low	189 Å²	189	158.6 Å²	158.6	88%	0.883	78%	0.775	S	S	*	*				-161.1	175.4	90.3	-117.2	-171.4	-175.7	0	0	114.2
847	H	27.1	Very low	27.6	Very low	155 Å²	155	163.9 Å²	163.9	72%	0.718	78%	0.778	S	S	*	*			trans	-83.4	158.5	-173.3	-69.1	-104.5	0	0	0	114
848	R	27.4	Very low	27.6	Very low	250 Å²	250	166.8 Å²	166.8	94%	0.943	78%	0.778	S	S	*	*				-159.6	161.4	119.1	-111.8	168.1	-171.4	-168.4	1.4	114.3
849	T	26.6	Very low	27.6	Very low	121 Å²	121	163.7 Å²	163.7	74%	0.742	78%	0.78	S	S	*	*			trans	-135.9	129.9	-165.9	49.5	0	0	0	0	111.7
850	S	25.7	Very low	27.6	Very low	115 Å²	115	163.1 Å²	163.1	80%	0.804	78%	0.784	S	S	*	*			trans	-179.1	154.5	157.3	47.7	0	0	0	0	110.8
851	S	26.2	Very low	27.3	Very low	98 Å²	98	159.8 Å²	159.8	69%	0.685	78%	0.777	S	S	*	*			cis	176.1	144	-46.7	44.8	0	0	0	0	109.6
852	L	28.6	Very low	27.4	Very low	148 Å²	148	155.1 Å²	155.1	78%	0.775	77%	0.769	S	S	*	*			trans	79.2	147.2	151.6	-72.5	161.5	0	0	0	122.4
853	E	28.4	Very low	27.4	Very low	148 Å²	148	154.3 Å²	154.3	69%	0.692	77%	0.765	S	S	*	*			trans	79.4	101.1	148.5	-77.3	157.5	-129.8	0	0	122.3
854	E	27.9	Very low	27.5	Very low	153 Å²	153	152.3 Å²	152.3	72%	0.715	76%	0.756	S	S	*	*				42.4	133.6	111.4	-66.5	-168.7	-166.8	0	0	118.9
855	R	27.7	Very low	27.7	Very low	219 Å²	219	154.7 Å²	154.7	83%	0.826	76%	0.757	S	S	*	*				-164	170.6	59.1	-139.8	158	-139	-168.4	0.8	114.7
856	E	29.2	Very low	27.7	Very low	159 Å²	159	153.3 Å²	153.3	74%	0.743	75%	0.753	S	S	*	*			trans	-71.4	160.5	175.5	-43.4	173.9	117.5	0	0	113.2
857	H	30.1	Very low	28	Very low	188 Å²	188	153.8 Å²	153.8	87%	0.87	76%	0.755	S	S	*	*				-163.8	178.6	114.8	-103	13.2	0	0	0	112.8
858	R	27.5	Very low	28	Very low	220 Å²	220	157.7 Å²	157.7	83%	0.83	76%	0.763	S	S	*	*			trans	-137.5	164.8	-148.1	-138.3	-179.9	-171.3	178.5	3.2	111
859	T	27.3	Very low	28	Very low	129 Å²	129	152.4 Å²	152.4	79%	0.791	76%	0.759	S	S	*	*			trans	66.8	157.7	157.5	34	0	0	0	0	117.3
860	S	27.4	Very low	28.1	Very low	91 Å²	91	151 Å²	151	64%	0.636	75%	0.754	S	S	*	*			cis	-165.7	174.3	-1.4	39	0	0	0	0	112.2
861	T	25.9	Very low	28.2	Very low	114 Å²	114	151.6 Å²	151.6	70%	0.699	75%	0.753	S	S	*	*			trans	61.3	115.5	147.1	44.5	0	0	0	0	118.9
862	L	27.2	Very low	28.3	Very low	149 Å²	149	155.5 Å²	155.5	78%	0.78	77%	0.765	S	S	*	*				87.9	136.4	63.6	-88.2	166.4	0	0	0	114.7
863	D	29.3	Very low	28.2	Very low	130 Å²	130	151.8 Å²	151.8	70%	0.695	76%	0.763	S	S	*	*			trans	68	153.5	164.5	-76.6	-61.1	0	0	0	118.1
864	H	29.2	Very low	28.2	Very low	127 Å²	127	154.2 Å²	154.2	59%	0.588	77%	0.774	S	S	*	*			cis	-153.9	151.3	14.1	-143.6	31.8	0	0	0	114.2
865	R	28.8	Very low	28.3	Very low	188 Å²	188	158.3 Å²	158.3	71%	0.709	78%	0.783	S	S	*	*			trans	55.7	125.1	146.5	-78.2	-174.4	159.8	127.9	-9.3	124.4
866	D	28.1	Very low	28.3	Very low	128 Å²	128	153.8 Å²	153.8	68%	0.684	79%	0.785	S	S	*	*				44.3	128.5	124.3	-56.4	-41.7	0	0	0	122.2
867	H	31.7	Very low	28.4	Very low	199 Å²	199	155.9 Å²	155.9	92%	0.921	79%	0.792	S	S	*	*				-149	141	119.1	-108.4	52.2	0	0	0	111.5
868	R	28.5	Very low	28.3	Very low	238 Å²	238	153.9 Å²	153.9	90%	0.898	79%	0.793	S	S	*	*			trans	-113.3	132.9	179.2	-97.4	-179.8	163.4	-175.4	-2.7	110.2
869	T	27.6	Very low	28.4	Very low	139 Å²	139	150.8 Å²	150.8	85%	0.853	79%	0.79	S	S	*	*			trans	173.7	152.2	145.7	29.9	0	0	0	0	109.5
870	S	28	Very low	28.3	Very low	92 Å²	92	150.9 Å²	150.9	64%	0.643	78%	0.781	S	S	*	*			cis	-174.5	170.9	-25.8	50.2	0	0	0	0	109.3
871	T	27.8	Very low	28.3	Very low	127 Å²	127	157.3 Å²	157.3	78%	0.779	79%	0.792	S	S	*	*			trans	66.5	131.1	175.5	65.1	0	0	0	0	116.3
872	L	27.7	Very low	28.3	Very low	179 Å²	179	155 Å²	155	94%	0.937	79%	0.79	S	S	*	*			cis	86.8	119.6	26.4	-70.3	166.9	0	0	0	116.6
873	G	27	Very low	28.2	Very low	70 Å²	70	154 Å²	154	72%	0.722	80%	0.795	S	S	*	*			trans	119.8	131.8	170	0	0	0	0	0	112.7
874	Q	28.5	Very low	28	Very low	199 Å²	199	151.5 Å²	151.5	93%	0.93	80%	0.801	S	S	*	*			cis	-144.8	158	-9.6	-84.6	179	-56.5	0	0	109.8
875	R	30	Very low	27.9	Very low	239 Å²	239	153.7 Å²	153.7	90%	0.902	81%	0.814	S	S	*	*			trans	-76.6	152.6	165.4	-78.6	176.5	168.8	168.5	-3.9	109.9
876	S	27.7	Very low	27.8	Very low	125 Å²	125	154.5 Å²	154.5	87%	0.874	82%	0.822	S	S	*	*			trans	-145.7	131.9	143.5	-77.4	0	0	0	0	109.6
877	K	30.5	Very low	27.7	Very low	202 Å²	202	155.3 Å²	155.3	88%	0.878	83%	0.827	S	S	*	*			trans	-120.8	136.5	170.9	-82.8	-168.7	172.9	-167.3	0	107.5
878	T	29.4	Very low	27.4	Very low	147 Å²	147	151.6 Å²	151.6	90%	0.902	82%	0.823	S	S	*	*			trans	-147	152.5	158.1	13.2	0	0	0	0	108.5
879	M	27.8	Very low	27.3	Very low	155 Å²	155	149.1 Å²	149.1	76%	0.764	82%	0.821	S	S	*	*			trans	-104.2	168.1	-170	-66.6	165.2	53	0	0	111.9
880	E	27.1	Very low	27.3	Very low	131 Å²	131	147.8 Å²	147.8	61%	0.612	82%	0.818	S	S	*	*			trans	44.4	130.2	142.1	-79.5	-179.8	-128.5	0	0	119
881	R	26.6	Very low	27.2	Very low	226 Å²	226	155 Å²	155	85%	0.853	83%	0.831	S	S	*	*				-178.1	166.3	51.4	-126.8	161.5	-149.8	-151.5	2	110.8
882	G	25.1	Very low	27.2	Very low	65 Å²	65	158.6 Å²	158.6	67%	0.67	84%	0.836	S	S	*	*			trans	107.9	82.3	142.5	0	0	0	0	0	119.8
883	S	25.3	Very low	27.1	Very low	127 Å²	127	158.4 Å²	158.4	89%	0.888	84%	0.835	S	S	*	*			trans	30.5	125.7	133.5	59.8	0	0	0	0	121.7
884	G	25	Very low	27	Very low	79 Å²	79	160.2 Å²	160.2	81%	0.814	84%	0.836	S	S	*	*			trans	-179.6	93.2	159.5	0	0	0	0	0	115.1
885	M	26.9	Very low	26.8	Very low	173 Å²	173	159.9 Å²	159.9	85%	0.852	84%	0.837	S	S	*	*			trans	-70.6	145.6	171.5	-67.9	168.8	65.7	0	0	112.1
886	K	26.6	Very low	26.5	Very low	204 Å²	204	155.5 Å²	155.5	89%	0.887	83%	0.83	S	S	*	*			trans	-165.2	122.6	146.4	-114.9	165.9	-172.8	174.8	0	112.5
887	D	26.5	Very low	26.4	Very low	146 Å²	146	161.3 Å²	161.3	78%	0.781	83%	0.833	S	S	*	*			trans	-67.5	150.2	175.4	-52	-84.9	0	0	0	112.5
888	S	26.6	Very low	26.2	Very low	120 Å²	120	160.6 Å²	160.6	84%	0.839	83%	0.83	S	S	*	*			trans	-127.8	109.8	169.3	48.8	0	0	0	0	110.7
889	Q	26.3	Very low	26	Very low	186 Å²	186	159.3 Å²	159.3	87%	0.869	83%	0.827	S	S	*	*			trans	-74	130.1	-174	-67.8	177.9	-17.4	0	0	112.3	R891	Q889-R891 PolarHBondContact O-N 3.17Å
890	S	26.9	Very low	25.9	Very low	111 Å²	111	159 Å²	159	78%	0.776	83%	0.828	S	S	*	*			trans	-75.9	105.6	-179.9	47.6	0	0	0	0	112.5	K892	S890-K892 PolarHBondContact O-N 3.18Å
891	R	26.8	Very low	25.8	Very low	244 Å²	244	158.4 Å²	158.4	92%	0.921	84%	0.838	S	S	*	*			trans	-75.9	104.3	177.7	-71.1	-176.1	176.1	178.1	-0.2	111.7	Q889 L893	Q889-R891 PolarHBondContact O-N 3.17Å; R891-L893 PolarHBondContact O-N 2.94Å
892	K	26.7	Very low	25.8	Very low	203 Å²	203	155.6 Å²	155.6	88%	0.883	84%	0.84	S	S	*	*			trans	-69.2	115.1	168.7	-70.8	178.1	177.7	174.3	0	110.5	S890	S890-K892 PolarHBondContact O-N 3.18Å
893	L	25.2	Very low	26	Very low	175 Å²	175	162 Å²	162	92%	0.916	85%	0.852	S	S	*	*			trans	-77.5	132.7	171.1	-77.6	166	0	0	0	110.8	R891	R891-L893 PolarHBondContact O-N 2.94Å
894	S	24.7	Very low	26.2	Very low	107 Å²	107	161.1 Å²	161.1	75%	0.748	85%	0.846	S	S	*	*			trans	-106.5	119.3	177.3	48.1	0	0	0	0	111.2	I896	S894-I896 PolarHBondContact O-N 3.1Å
895	M	25.3	Very low	26.5	Very low	192 Å²	192	170.4 Å²	170.4	95%	0.946	87%	0.868	S	S	*	*			trans	-76.7	112.7	178.4	-75.8	-166.3	-78.9	0	0	111.8
896	I	24.5	Very low	26.4	Very low	148 Å²	148	170.3 Å²	170.3	76%	0.759	87%	0.869	S	S	*	*			trans	-89.8	107.9	168.5	-61.3	176.6	0	0	0	108.6	S894 K898	S894-I896 PolarHBondContact O-N 3.1Å; I896-K898 PolarHBondContact O-N 3.12Å
897	R	24.9	Very low	26.4	Very low	247 Å²	247	168.5 Å²	168.5	93%	0.932	87%	0.868	S	S	*	*			trans	-71.2	113.4	170.1	-72	-178.7	174.5	173.1	-2.4	109.7
898	K	25.1	Very low	26.4	Very low	187 Å²	187	169.8 Å²	169.8	81%	0.813	87%	0.873	S	S	*	*			trans	-95.5	125	161.5	-79.6	-173.8	175	-179	0	109.4	I896	I896-K898 PolarHBondContact O-N 3.12Å
899	S	25.5	Very low	26.4	Very low	120 Å²	120	172.7 Å²	172.7	84%	0.839	88%	0.875	S	S	*	*			trans	-89.1	114	170.5	50.3	0	0	0	0	109.9
900	N	25.4	Very low	26.4	Very low	148 Å²	148	171.9 Å²	171.9	79%	0.791	88%	0.875	S	S	*	*			trans	-88.2	122.9	170.7	-79.1	-2.3	0	0	0	109.9
901	S	26.1	Very low	26.4	Very low	118 Å²	118	175.9 Å²	175.9	83%	0.825	88%	0.882	S	S	*	*			trans	-90.2	124.2	161.6	53.2	0	0	0	0	109.1
902	L	26.8	Very low	26.4	Very low	168 Å²	168	171.1 Å²	171.1	88%	0.88	88%	0.879	S	S	*	*			trans	-111.9	139.5	166.1	-84.9	165.8	0	0	0	109.3
903	Q	28.4	Very low	26.3	Very low	200 Å²	200	168.6 Å²	168.6	94%	0.935	88%	0.878	S	S	*	*			trans	-93.1	150.5	171.5	-62.4	171	-95.7	0	0	109
904	S	29.7	Very low	26.4	Very low	108 Å²	108	168.1 Å²	168.1	76%	0.755	88%	0.875	S	S	*	*			trans	-142.7	120.5	164.6	55.5	0	0	0	0	108.8
905	E	30.7	Very low	26.6	Very low	274 Å²	274	173.6 Å²	173.6	100%	1.28	89%	0.887	S	S	*	*			trans	63.3	0	162.8	-51.7	-171.5	154.2	0	0	117.6

Retrieved 905 of 905 residues in 5579.8 ms (Link to these results)

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