A0A059VC25_HUMAN Loading...

Focal adhesion kinase 1

AlphaFold DB , UniProt , Accession A0A059VC25, Species HUMAN (Homo sapiens, Human), Gene FAK, Length 1,026 aa.

						>A0A059VC25_HUMAN|A0A059VC25|FAK
MAAAAYLDPNLNHTPNSSTKTHLGTGMERSPGAMERVLKVFHYFESNSEPTTWASIIRHGDATDVRGIIQKIVDSHKVKHVACYGFRLSHLRSEEVHWLHVDMGVSSVREKYELAHPPEEWKYELRIRYLPKGFLNQFTEDKPTLNFFYQQVKSDYMLEIADQVDQEIALKLGCLEIRRSYWEMRGNALEKKSNYEVLEKDVGLKRFFPKSLLDSVKAKTLRKLIQQTFRQFANLNREESILKFFEILSPVYRFDKECFKCALGSSWIISVELAIGPEEGISYLTDKGCNPTHLADFTQVQTIQYSNSEDKDRKGMLQLKIAGAPEPLTVTAPSLTIAENMADLIDGYCRLVNGTSQSFIIRPQKEGERALPSIPKLANSEKQGMRTHAVSVSETDDYAEIIDEEDTYTMPSTRDYEIQRERIELGRCIGEGQFGDVHQGIYMSPENPALAVAIKTCKNCTSDSVREKFLQEALTMRQFDHPHIVKLIGVITENPVWIIMELCTLGELRSFLQVRKYSLDLASLILYAYQLSTALAYLESKRFVHRDIAARNVLVSSNDCVKLGDFGLSRYMEDSTYYKASKGKLPIKWMAPESINFRRFTSASDVWMFGVCMWEILMHGVKPFQGVKNNDVIGRIENGERLPMPPNCPPTLYSLMTKCWAYDPSRRPRFTELKAQLSTILEEEKAQQEERMRMESRRQATVSWDSGGSDEAPPKPSRPGYPSPRSSEGFYPSPQHMVQTNHYQVSGYPGSHGITAMAGSIYPGQASLLDQTDSWNHRPQEIAMWQPNVEDSTVLDLRGIGQVLPTHLMEERLIRQQQEMEEDQRWLEKEERFLKPDVRLSRGSIDREDGSLQGPIGNQHIYQPVGKPDPAAPPKKPPRPGAPGHLGSLASLSSPADSYNEGVKLQPQEISPPPTANLDRSNDKVYENVTGLVKAVIEMSSKIQPAPPEEYVPMVKIEMAQKLLNSDLGELINKMKLAQQYVMTSLQQEYKKQMLTAAHALAVDAKNLLDVIDQARLKMLGQTRPH
					

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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	30.6	Very low	30.5	Very low	242 Å²	242	143.5 Å²	143.5	100%	1.192	84%	0.839	S	S	*	*				0	135.7	0	-76.9	-174.7	-127	0	0	107.9
2	A	28.7	Very low	30.5	Very low	103 Å²	103	142.9 Å²	142.9	85%	0.851	83%	0.83	S	S	*	*			trans	51.9	117.6	174	0	0	0	0	0	117.3
3	A	29.3	Very low	30.5	Very low	103 Å²	103	145.9 Å²	145.9	85%	0.851	83%	0.831	S	S	*	*			cis	100.2	151.5	21.5	0	0	0	0	0	115.6
4	A	27.9	Very low	30.2	Very low	98 Å²	98	144.4 Å²	144.4	81%	0.81	83%	0.826	S	S	*	*			trans	73.7	117.1	-172.5	0	0	0	0	0	114.8
5	A	31.7	Very low	30.3	Very low	89 Å²	89	143.1 Å²	143.1	74%	0.736	83%	0.825	S	S	*	*			cis	78.7	120.5	21.4	0	0	0	0	0	116.4
6	Y	26.5	Very low	30	Very low	240 Å²	240	144.4 Å²	144.4	94%	0.941	83%	0.828	S	S	*	*			trans	-154.2	147.2	146.8	-113.6	-79.5	0	0	0	110.2
7	L	29.3	Very low	29.8	Very low	158 Å²	158	143.2 Å²	143.2	83%	0.827	83%	0.831	S	S	*	*			trans	-106.9	149.6	-175.7	-76.1	126.3	0	0	0	111.7
8	D	30.8	Very low	29.6	Very low	136 Å²	136	141.4 Å²	141.4	73%	0.727	83%	0.827	S	S	*	*				30.6	161.4	126.8	-120.2	18.9	0	0	0	121
9	P	42.6	Very low	29.4	Very low	105 Å²	105	141.9 Å²	141.9	68%	0.682	83%	0.833	S	S	*	*			cis	-147.5	173.4	19.8	42.2	-20.5	0	0	0	120.1
10	N	29.1	Very low	29.3	Very low	136 Å²	136	144.9 Å²	144.9	73%	0.727	84%	0.835	S	S	*	*			trans	19.2	139.6	146	-71.8	-50	0	0	0	122.9
11	L	29.4	Very low	29.1	Very low	168 Å²	168	144.2 Å²	144.2	88%	0.88	83%	0.833	S	S	*	*			trans	-154.1	130.1	135	-111.4	166.2	0	0	0	112.5
12	N	29.7	Very low	28.9	Very low	137 Å²	137	141.4 Å²	141.4	73%	0.733	82%	0.817	S	S	*	*			trans	-74.6	153.3	173.9	-72.7	-51.7	0	0	0	111.8
13	H	30.3	Very low	28.9	Very low	182 Å²	182	144.6 Å²	144.6	84%	0.843	82%	0.819	S	S	*	*				176.5	126.9	120.5	-97.1	-68.6	0	0	0	112.9
14	T	26.8	Very low	28.7	Very low	125 Å²	125	143.2 Å²	143.2	77%	0.767	81%	0.814	S	S	*	*			trans	-82.3	159.6	162.1	47.4	0	0	0	0	111.2
15	P	31.3	Very low	28.8	Very low	125 Å²	125	145.7 Å²	145.7	81%	0.812	82%	0.82	S	S	*	*				-135.3	144.3	125.8	36	-26.5	0	0	0	114.5
16	N	25.4	Very low	28.6	Very low	164 Å²	164	144.5 Å²	144.5	88%	0.877	82%	0.816	S	S	*	*			trans	-67.1	147.5	168.8	-74	-33.8	0	0	0	111.9
17	S	26.9	Very low	28.7	Very low	124 Å²	124	142.3 Å²	142.3	87%	0.867	82%	0.817	S	S	*	*				-151.5	147.8	129.5	73.8	0	0	0	0	111.1
18	S	26	Very low	28.5	Very low	110 Å²	110	143.9 Å²	143.9	77%	0.769	82%	0.82	S	S	*	*			trans	-111.3	140	-165.1	53.9	0	0	0	0	112.9
19	T	26.1	Very low	28.5	Very low	151 Å²	151	149 Å²	149	93%	0.926	83%	0.829	S	S	*	*			trans	-141.3	125.9	149.2	24.6	0	0	0	0	109.9
20	K	28.4	Very low	27.7	Very low	201 Å²	201	149 Å²	149	87%	0.874	83%	0.831	S	S	*	*			trans	-91.8	145.4	173.2	-72.1	177.8	173.5	179.1	0	109.3
21	T	24.4	Very low	27.6	Very low	132 Å²	132	148.9 Å²	148.9	81%	0.81	84%	0.838	S	S	*	*			trans	-158.2	130.6	140.2	16	0	0	0	0	112.7
22	H	26.7	Very low	27.9	Very low	182 Å²	182	144.6 Å²	144.6	84%	0.843	84%	0.835	S	S	*	*			trans	60.3	114.7	160.9	-74.4	-79.8	0	0	0	122
23	L	27.3	Very low	28.4	Very low	170 Å²	170	142.1 Å²	142.1	89%	0.89	83%	0.833	S	S	*	*			trans	-68	136.9	157.4	-75.8	75.9	0	0	0	110.4
24	G	25.6	Very low	29.3	Very low	74 Å²	74	138.2 Å²	138.2	76%	0.763	82%	0.817	S	S	*	*			trans	-112.5	133.9	147.9	0	0	0	0	0	108.2	G26	G24-G26 PolarHBondContact O-N 3.45Å; G24-G26 VanDerWaalsContact O-N 3.12Å
25	T	31.3	Very low	30.7	Very low	151 Å²	151	139.7 Å²	139.7	93%	0.926	82%	0.815	S	S	*	*			trans	-70	104.2	-174.2	45.3	0	0	0	0	112
26	G	25.7	Very low	32.7	Very low	64 Å²	64	138.7 Å²	138.7	66%	0.66	80%	0.795	S	S	*	*			trans	-107.4	134	166	0	0	0	0	0	110.4	G24 E28	G24-G26 PolarHBondContact O-N 3.45Å; G24-G26 VanDerWaalsContact O-N 3.12Å; G26-E28 PolarHBondContact O-N 3.25Å
27	M	28.8	Very low	35.3	Very low	194 Å²	194	133 Å²	133	96%	0.956	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-62	117.8	-178.2	-161.9	122.2	134.9	0	0	111	R29	M27-R29 PolarHBondContact O-N 3.39Å
28	E	26.5	Very low	38	Very low	191 Å²	191	127.4 Å²	127.4	89%	0.893	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-64.3	123.8	174.2	-71.3	-172.9	146.2	0	0	109.9	G26	G26-E28 PolarHBondContact O-N 3.25Å
29	R	29.8	Very low	40.9	Very low	243 Å²	243	126 Å²	126	92%	0.917	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-71.8	133.4	168.1	-80.2	-178.1	170.3	174.5	-4	109	M27	M27-R29 PolarHBondContact O-N 3.39Å
30	S	25.4	Very low	43.9	Very low	104 Å²	104	118.9 Å²	118.9	73%	0.727	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-62.7	137.2	173.8	46.8	0	0	0	0	111.5
31	P	28.7	Very low	46.9	Very low	134 Å²	134	111.5 Å²	111.5	87%	0.87	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	129.1	171.9	30.8	-32.3	0	0	0	109.9
32	G	34	Very low	50.2	Low	79 Å²	79	106 Å²	106	81%	0.814	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	133.2	-0.6	167.2	0	0	0	0	0	118	M34	G32-M34 PolarHBondContact O-N 3.18Å
33	A	40.4	Very low	53.4	Low	84 Å²	84	98.4 Å²	98.4	69%	0.694	56%	0.56	S	S	*	*			trans	-71.5	116	169.7	0	0	0	0	0	109.9
34	M	49.1	Very low	56.4	Low	101 Å²	101	90.9 Å²	90.9	50%	0.498	52%	0.52	S	S	.	.			trans	-54.5	140.8	164.5	-86.1	-170.5	171.3	0	0	109.2	G32 R36	G32-M34 PolarHBondContact O-N 3.18Å; M34-R36 WeakPolarHBondContact O-CG 3.41Å; M34-R36 PolarHBondContact O-N 3.26Å
35	E	56.7	Low	59.1	Low	156 Å²	156	90.2 Å²	90.2	73%	0.729	50%	0.497	S	S	*	.			trans	-62.1	112.1	172.5	-170.4	167.7	-163.3	0	0	108.6	V37 R109	E35-V37 HydrophobicContact CG-CB 4.11Å; E35-V37 HydrophobicContact CG-CG2 3.87Å; E35-V37 PolarHBondContact O-N 3.28Å; E35-R109 PolarHBondContact O-NH1 3.44Å
36	R	74	Confident	61	Low	104 Å²	104	86.1 Å²	86.1	39%	0.392	47%	0.474	S	S	.	.			trans	-79.5	49.2	-171.6	-59.4	-175.8	-177.5	-173.5	-9.2	112.1	M34 R58 H59 D61	M34-R36 WeakPolarHBondContact O-CG 3.41Å; M34-R36 PolarHBondContact O-N 3.26Å; R36-R58 VanDerWaalsContact O-CA 3.28Å; R36-R58 WeakPolarHBondContact O-CA 3.5Å; R36-H59 WeakPolarHBondContact CB-O 3.35Å; R36-H59 PolarHBondContact O-N 2.94Å; R36-D61 IonicContact CZ-OD1 2.7Å; R36-D61 IonicContact CZ-OD2 3.72Å; R36-D61 IonicContact NE-OD1 2.66Å; R36-D61 PolarHBondContact NE-OD1 3.35Å; R36-D61 IonicContact NH1-OD1 3.23Å; R36-D61 PolarHBondContact NH1-OD1 3.5Å; R36-D61 IonicContact NH1-OD2 3.4Å; R36-D61 PolarHBondContact NH1-OD2 3.49Å; R36-D61 IonicContact NH2-OD1 2.65Å; R36-D61 PolarHBondContact NH2-OD1 3.33Å; R36-D61 IonicContact NH2-OD2 2.81Å; R36-D61 PolarHBondContact NH2-OD2 2.8Å
37	V	80.6	Confident	62.4	Low	45 Å²	45	86.2 Å²	86.2	27%	0.273	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.4	-172.2	179.6	0	0	0	0	108	E35 I56 I57	E35-V37 HydrophobicContact CG-CB 4.11Å; E35-V37 HydrophobicContact CG-CG2 3.87Å; E35-V37 PolarHBondContact O-N 3.28Å; V37-I56 HydrophobicContact CG1-CG2 3.23Å; V37-I57 CarbonylContact C-O 3.51Å; V37-I57 WeakPolarHBondContact CA-O 3.31Å
38	L	83.3	Confident	63.9	Low	5 Å²	5	79.7 Å²	79.7	3%	0.026	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	123.4	-177.6	-170.7	69.9	0	0	0	109.6	V40 I57 F86 V105 Y123	L38-V40 HydrophobicContact CD2-CG2 3.84Å; L38-V40 HydrophobicContact CG-CG2 3.98Å; L38-I57 PolarHBondContact N-O 2.85Å; L38-I57 PolarHBondContact O-N 2.86Å; L38-F86 HydrophobicContact CD2-CE1 4.37Å; L38-F86 HydrophobicContact CD2-CZ 3.93Å; L38-V105 HydrophobicContact CD2-CG1 3.97Å; L38-Y123 HydrophobicContact CD1-CD1 4.1Å; L38-Y123 HydrophobicContact CD1-CD2 3.49Å; L38-Y123 VanDerWaalsContact CD1-CD2 3.49Å; L38-Y123 HydrophobicContact CD1-CE1 4.09Å; L38-Y123 HydrophobicContact CD1-CE2 3.48Å; L38-Y123 VanDerWaalsContact CD1-CE2 3.48Å; L38-Y123 HydrophobicContact CD1-CG 3.81Å; L38-Y123 HydrophobicContact CG-CD2 4.39Å; L38-Y123 HydrophobicContact CG-CG 4.38Å
39	K	86.6	Confident	65.5	Low	82 Å²	82	75 Å²	75	36%	0.357	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	113.1	172	-171.8	-177	179	89.9	0	109.5	F41 A54 E404	K39-F41 HydrophobicContact CD-CE2 4.16Å; K39-F41 HydrophobicContact CD-CZ 4.1Å; K39-F41 HydrophobicContact CG-CE2 4.39Å; K39-A54 HydrophobicContact CD-CB 4.47Å; K39-A54 HydrophobicContact CG-CB 3.89Å; K39-E404 IonicContact NZ-OE1 2.68Å; K39-E404 PolarHBondContact NZ-OE1 3.38Å; K39-E404 IonicContact NZ-OE2 3.6Å; K39-E404 PolarHBondContact NZ-OE2 3.36Å
40	V	89.1	Confident	67.4	Low	0 Å²	0	66.6 Å²	66.6	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	111.9	-179.3	178.8	0	0	0	0	110.2	L38 A54 S55 I57 I68 I72 F86 L125	L38-V40 HydrophobicContact CD2-CG2 3.84Å; L38-V40 HydrophobicContact CG-CG2 3.98Å; V40-A54 CarbonylContact O-C 3.53Å; V40-A54 WeakPolarHBondContact O-CA 3.23Å; V40-A54 WeakPolarHBondContact O-CB 3.11Å; V40-S55 PolarHBondContact N-O 2.99Å; V40-S55 PolarHBondContact O-N 3.15Å; V40-I57 HydrophobicContact CB-CD1 4.29Å; V40-I57 HydrophobicContact CG2-CD1 3.89Å; V40-I68 HydrophobicContact CG2-CG2 4.14Å; V40-I72 HydrophobicContact CB-CD1 4.09Å; V40-I72 HydrophobicContact CG1-CD1 3.67Å; V40-I72 HydrophobicContact CG2-CD1 4.44Å; V40-F86 HydrophobicContact CB-CE2 4.37Å; V40-F86 HydrophobicContact CG1-CE2 3.59Å; V40-F86 HydrophobicContact CG1-CZ 4.28Å; V40-F86 HydrophobicContact CG2-CE2 3.82Å; V40-F86 HydrophobicContact CG2-CZ 3.73Å; V40-L125 HydrophobicContact CG1-CB 3.93Å
41	F	90.9	Very high	69.3	Low	47 Å²	47	66.6 Å²	66.6	21%	0.206	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	145.2	172.6	-68.5	-92.6	0	0	0	111.1	K39 T51 W53 A54 K122 Y123 E124 L125	K39-F41 HydrophobicContact CD-CE2 4.16Å; K39-F41 HydrophobicContact CD-CZ 4.1Å; K39-F41 HydrophobicContact CG-CE2 4.39Å; F41-T51 WeakPolarHBondContact CE1-O 3.38Å; F41-W53 WeakPolarHBondContact CA-O 3.46Å; F41-A54 HydrophobicContact CD1-CB 4.13Å; F41-A54 HydrophobicContact CE1-CB 4.46Å; F41-A54 HydrophobicContact CG-CB 4.32Å; F41-K122 HydrophobicContact CD2-CD 4.28Å; F41-K122 HydrophobicContact CD2-CG 3.57Å; F41-K122 HydrophobicContact CE2-CG 3.89Å; F41-K122 HydrophobicContact CG-CG 4.3Å; F41-Y123 PolarHBondContact N-O 3.33Å; F41-E124 HydrophobicContact CB-CG 4.22Å; F41-E124 CarbonylContact O-C 3.55Å; F41-E124 WeakPolarHBondContact O-CA 3.35Å; F41-L125 PolarHBondContact O-N 3.15Å
42	H	94.2	Very high	71.4	Confident	16 Å²	16	63.2 Å²	63.2	7%	0.074	36%	0.361	C	S	.	.			trans	-158.8	164.4	-175.4	60.7	42.8	0	0	0	113.3	F44 W53 A54 S55 L125 F147	H42-F44 HydrophobicContact CB-CD2 4.31Å; H42-W53 PolarHBondContact N-O 3.33Å; H42-W53 VanDerWaalsContact O-CB 3.28Å; H42-W53 WeakPolarHBondContact O-CB 3.2Å; H42-A54 VanDerWaalsContact NE2-C 3.29Å; H42-S55 PolarHBondContact CD2-OG 3.36Å; H42-S55 VanDerWaalsContact CD2-OG 3.31Å; H42-S55 PolarHBondContact NE2-N 3.32Å; H42-S55 PolarHBondContact NE2-OG 3.44Å; H42-L125 HydrophobicContact CB-CB 4.08Å; H42-L125 HydrophobicContact CB-CD2 4.34Å; H42-F147 HydrophobicContact CB-CE2 4.05Å
43	Y	94.1	Very high	73.7	Confident	23 Å²	23	60.1 Å²	60.1	9%	0.09	32%	0.324	C	S	.	.			trans	-97.5	14.3	-174.9	-68.3	-73.3	0	0	0	115.6	E45 E124 R126 F147 Q150 Q151 S154	Y43-E45 PolarHBondContact O-N 2.65Å; Y43-E124 WeakPolarHBondContact CE2-OE1 3.31Å; Y43-E124 PolarHBondContact OH-OE1 2.92Å; Y43-R126 HydrophobicContact CE2-CG 4.3Å; Y43-R126 PolarHBondContact OH-NH1 2.82Å; Y43-F147 WeakPolarHBondContact CB-O 3.48Å; Y43-F147 HydrophobicContact CD2-CE1 4.04Å; Y43-F147 HydrophobicContact CD2-CZ 4.14Å; Y43-F147 HydrophobicContact CG-CE1 4.46Å; Y43-F147 VanDerWaalsContact N-CE2 3.26Å; Y43-Q150 HydrophobicContact CD1-CB 3.98Å; Y43-Q150 HydrophobicContact CG-CB 4.41Å; Y43-Q151 HydrophobicContact CD1-CB 4.35Å; Y43-Q151 HydrophobicContact CD2-CB 3.63Å; Y43-Q151 HydrophobicContact CD2-CG 3.93Å; Y43-Q151 HydrophobicContact CE2-CB 3.93Å; Y43-Q151 HydrophobicContact CE2-CG 3.8Å; Y43-Q151 HydrophobicContact CG-CB 3.85Å; Y43-S154 VanDerWaalsContact CE1-CB 3.5Å; Y43-S154 PolarHBondContact OH-OG 3.46Å
44	F	90.3	Very high	75.7	Confident	12 Å²	12	56.9 Å²	56.9	5%	0.053	30%	0.298	C	S	.	.			trans	-68.9	121.3	168.5	-65	-67.9	0	0	0	110.7	H42 S46 I72 V73 H76 V78 Y84 L125 P143 F147	H42-F44 HydrophobicContact CB-CD2 4.31Å; F44-S46 PolarHBondContact O-N 3.49Å; F44-I72 HydrophobicContact CD2-CG2 4.16Å; F44-I72 HydrophobicContact CE2-CG2 3.89Å; F44-V73 HydrophobicContact CZ-CG1 4.4Å; F44-H76 WeakPolarHBondContact CB-NE2 3.3Å; F44-H76 HydrophobicContact CD1-CB 3.78Å; F44-H76 AromaticContact CD1-CD2 3.53Å; F44-H76 AromaticContact CD1-CG 3.57Å; F44-H76 AromaticContact CD2-CD2 3.96Å; F44-H76 AromaticContact CD2-CE1 3.66Å; F44-H76 AromaticContact CD2-CG 3.77Å; F44-H76 AromaticContact CD2-ND1 3.58Å; F44-H76 AromaticContact CD2-NE2 3.9Å; F44-H76 HydrophobicContact CE1-CB 3.56Å; F44-H76 AromaticContact CE1-CG 3.79Å; F44-H76 HydrophobicContact CE2-CB 4.33Å; F44-H76 AromaticContact CE2-CG 3.99Å; F44-H76 AromaticContact CE2-ND1 3.79Å; F44-H76 HydrophobicContact CG-CB 4.28Å; F44-H76 AromaticContact CG-CD2 3.4Å; F44-H76 WeakPolarHBondContact CG-CD2 3.38Å; F44-H76 AromaticContact CG-CE1 3.82Å; F44-H76 AromaticContact CG-CG 3.57Å; F44-H76 AromaticContact CG-ND1 3.84Å; F44-H76 AromaticContact CG-NE2 3.57Å; F44-H76 HydrophobicContact CZ-CB 3.87Å; F44-H76 AromaticContact CZ-CG 4Å; F44-V78 HydrophobicContact CE1-CG2 3.84Å; F44-V78 HydrophobicContact CZ-CG2 3.76Å; F44-Y84 HydrophobicContact CZ-CE1 4.12Å; F44-L125 HydrophobicContact CE2-CD2 4Å; F44-P143 HydrophobicContact CE1-CB 4.38Å; F44-F147 HydrophobicContact CD1-CB 4.49Å; F44-F147 AromaticContact CD1-CD2 3.73Å; F44-F147 HydrophobicContact CD1-CD2 3.73Å; F44-F147 AromaticContact CD2-CD2 3.69Å; F44-F147 HydrophobicContact CD2-CD2 3.69Å; F44-F147 AromaticContact CD2-CE2 3.7Å; F44-F147 HydrophobicContact CD2-CE2 3.7Å; F44-F147 HydrophobicContact CE1-CB 4.31Å; F44-F147 AromaticContact CE1-CD2 3.63Å; F44-F147 HydrophobicContact CE1-CD2 3.63Å; F44-F147 HydrophobicContact CE1-CE2 4.42Å; F44-F147 HydrophobicContact CE1-CG 4.38Å; F44-F147 AromaticContact CE2-CD2 3.59Å; F44-F147 HydrophobicContact CE2-CD2 3.59Å; F44-F147 AromaticContact CE2-CE2 3.53Å; F44-F147 HydrophobicContact CE2-CE2 3.53Å; F44-F147 AromaticContact CG-CD2 3.75Å; F44-F147 HydrophobicContact CG-CD2 3.75Å; F44-F147 HydrophobicContact CG-CE2 4.21Å; F44-F147 AromaticContact CZ-CD2 3.55Å; F44-F147 HydrophobicContact CZ-CD2 3.55Å; F44-F147 AromaticContact CZ-CE2 3.92Å; F44-F147 HydrophobicContact CZ-CE2 3.92Å; F44-F147 HydrophobicContact CZ-CG 4.49Å
45	E	80.8	Confident	77.3	Confident	59 Å²	59	52.6 Å²	52.6	28%	0.276	28%	0.278	S	S	.	.			trans	-69.4	112.2	-171.8	-179.4	-174.1	-105.6	0	0	112.8	Y43 W53 Q150 R179 K582	Y43-E45 PolarHBondContact O-N 2.65Å; E45-W53 HydrophobicContact CB-CH2 4.03Å; E45-W53 HydrophobicContact CB-CZ2 4.4Å; E45-W53 HydrophobicContact CB-CZ3 4.38Å; E45-W53 HydrophobicContact CG-CH2 3.88Å; E45-W53 HydrophobicContact CG-CZ2 4Å; E45-Q150 PolarHBondContact OE1-NE2 2.94Å; E45-R179 IonicContact OE1-CZ 3.56Å; E45-R179 VanDerWaalsContact OE1-CZ 3.28Å; E45-R179 IonicContact OE1-NH1 3.18Å; E45-R179 PolarHBondContact OE1-NH1 2.99Å; E45-R179 IonicContact OE1-NH2 3.38Å; E45-R179 PolarHBondContact OE1-NH2 2.91Å; E45-K582 IonicContact OE2-NZ 3.99Å; E45-K582 PolarHBondContact OE2-NZ 3.48Å
46	S	71.5	Confident	78.4	Confident	65 Å²	65	47 Å²	47	46%	0.455	25%	0.253	S	S	.	.			trans	-103.4	175.5	169.2	-171.2	0	0	0	0	112.2	F44	F44-S46 PolarHBondContact O-N 3.49Å
47	N	56.3	Low	78.6	Confident	67 Å²	67	42.1 Å²	42.1	36%	0.358	23%	0.234	S	C	.	.	S	Bend	trans	-75.8	-23.2	173.7	-83.8	-2.9	0	0	0	113.6	S581	N47-S581 WeakPolarHBondContact ND2-CA 3.49Å; N47-S581 WeakPolarHBondContact ND2-CB 3.33Å; N47-S581 PolarHBondContact ND2-N 3.09Å; N47-S581 VanDerWaalsContact ND2-N 3.1Å
48	S	59.3	Low	78.4	Confident	56 Å²	56	45.5 Å²	45.5	39%	0.392	24%	0.242	S	C	.	.	S	Bend	trans	-69.5	174	177.2	53.1	0	0	0	0	111.7	T52 W53	S48-T52 WeakPolarHBondContact CB-OG1 3.41Å; S48-W53 PolarHBondContact O-NE1 2.71Å
49	E	60.8	Low	78.1	Confident	92 Å²	92	45.6 Å²	45.6	43%	0.43	24%	0.242	S	C	.	.			trans	-64	141.5	179.1	-58.3	-136.6	114.7	0	0	111.1	T51 T52 W53 R206	E49-T51 PolarHBondContact O-N 3.12Å; E49-T52 HydrophobicContact CB-CG2 4.45Å; E49-T52 PolarHBondContact N-OG1 2.64Å; E49-T52 PolarHBondContact O-N 3.31Å; E49-T52 PolarHBondContact O-OG1 3.24Å; E49-W53 VanDerWaalsContact O-CD1 3.3Å; E49-W53 PolarHBondContact O-NE1 3.35Å; E49-R206 IonicContact OE1-CZ 2.71Å; E49-R206 IonicContact OE1-NH1 3.53Å; E49-R206 PolarHBondContact OE1-NH1 3.38Å; E49-R206 IonicContact OE1-NH2 3.6Å; E49-R206 PolarHBondContact OE1-NH2 3.31Å
50	P	68.9	Low	77.4	Confident	67 Å²	67	42.1 Å²	42.1	44%	0.435	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-55.9	-26.9	-177.5	-28	35.5	0	0	0	115.3	T52 W53	P50-T52 PolarHBondContact O-N 2.97Å; P50-W53 HydrophobicContact CB-CD2 4.4Å; P50-W53 HydrophobicContact CB-CE3 4.4Å; P50-W53 HydrophobicContact CB-CH2 4.14Å; P50-W53 HydrophobicContact CB-CZ2 4.13Å; P50-W53 HydrophobicContact CB-CZ3 4.27Å; P50-W53 HydrophobicContact CG-CH2 4.11Å; P50-W53 HydrophobicContact CG-CZ2 3.92Å
51	T	66.6	Low	76.7	Confident	105 Å²	105	45.3 Å²	45.3	64%	0.644	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-70.8	-15.8	175.1	43.9	0	0	0	0	114	F41 E49	F41-T51 WeakPolarHBondContact CE1-O 3.38Å; E49-T51 PolarHBondContact O-N 3.12Å
52	T	72.2	Confident	76	Confident	62 Å²	62	44.9 Å²	44.9	38%	0.38	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-107.7	1.9	-177.2	64.1	0	0	0	0	113.3	S48 E49 P50 A54	S48-T52 WeakPolarHBondContact CB-OG1 3.41Å; E49-T52 HydrophobicContact CB-CG2 4.45Å; E49-T52 PolarHBondContact N-OG1 2.64Å; E49-T52 PolarHBondContact O-N 3.31Å; E49-T52 PolarHBondContact O-OG1 3.24Å; P50-T52 PolarHBondContact O-N 2.97Å; T52-A54 PolarHBondContact O-N 3.11Å
53	W	82	Confident	75.4	Confident	14 Å²	14	44.2 Å²	44.2	5%	0.053	25%	0.249	C	C	.	.			trans	-69.8	102.7	178.2	-63.8	-8.3	0	0	0	110.3	F41 H42 E45 S48 E49 P50 Q150	F41-W53 WeakPolarHBondContact CA-O 3.46Å; H42-W53 PolarHBondContact N-O 3.33Å; H42-W53 VanDerWaalsContact O-CB 3.28Å; H42-W53 WeakPolarHBondContact O-CB 3.2Å; E45-W53 HydrophobicContact CB-CH2 4.03Å; E45-W53 HydrophobicContact CB-CZ2 4.4Å; E45-W53 HydrophobicContact CB-CZ3 4.38Å; E45-W53 HydrophobicContact CG-CH2 3.88Å; E45-W53 HydrophobicContact CG-CZ2 4Å; S48-W53 PolarHBondContact O-NE1 2.71Å; E49-W53 VanDerWaalsContact O-CD1 3.3Å; E49-W53 PolarHBondContact O-NE1 3.35Å; P50-W53 HydrophobicContact CB-CD2 4.4Å; P50-W53 HydrophobicContact CB-CE3 4.4Å; P50-W53 HydrophobicContact CB-CH2 4.14Å; P50-W53 HydrophobicContact CB-CZ2 4.13Å; P50-W53 HydrophobicContact CB-CZ3 4.27Å; P50-W53 HydrophobicContact CG-CH2 4.11Å; P50-W53 HydrophobicContact CG-CZ2 3.92Å; W53-Q150 HydrophobicContact CH2-CG 4.22Å; W53-Q150 HydrophobicContact CZ3-CB 4.11Å; W53-Q150 HydrophobicContact CZ3-CG 3.81Å
54	A	83	Confident	75	Confident	17 Å²	17	45.3 Å²	45.3	14%	0.14	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	160.2	178.2	0	0	0	0	0	111.1	K39 V40 F41 H42 T52	K39-A54 HydrophobicContact CD-CB 4.47Å; K39-A54 HydrophobicContact CG-CB 3.89Å; V40-A54 CarbonylContact O-C 3.53Å; V40-A54 WeakPolarHBondContact O-CA 3.23Å; V40-A54 WeakPolarHBondContact O-CB 3.11Å; F41-A54 HydrophobicContact CD1-CB 4.13Å; F41-A54 HydrophobicContact CE1-CB 4.46Å; F41-A54 HydrophobicContact CG-CB 4.32Å; H42-A54 VanDerWaalsContact NE2-C 3.29Å; T52-A54 PolarHBondContact O-N 3.11Å
55	S	82.5	Confident	75.1	Confident	10 Å²	10	44.8 Å²	44.8	7%	0.07	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.3	163.6	-65.9	0	0	0	0	108.4	V40 H42	V40-S55 PolarHBondContact N-O 2.99Å; V40-S55 PolarHBondContact O-N 3.15Å; H42-S55 PolarHBondContact CD2-OG 3.36Å; H42-S55 VanDerWaalsContact CD2-OG 3.31Å; H42-S55 PolarHBondContact NE2-N 3.32Å; H42-S55 PolarHBondContact NE2-OG 3.44Å
56	I	80.1	Confident	75.5	Confident	40 Å²	40	45.6 Å²	45.6	21%	0.205	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	132.1	164.5	-67.1	-173.9	0	0	0	107.6	V37 I401 I402 E404	V37-I56 HydrophobicContact CG1-CG2 3.23Å; I56-I401 CarbonylContact O-C 3.57Å; I56-I401 WeakPolarHBondContact O-CA 3.02Å; I56-I402 HydrophobicContact CB-CB 4.11Å; I56-I402 HydrophobicContact CG2-CB 3.92Å; I56-I402 HydrophobicContact CG2-CD1 3.91Å; I56-I402 HydrophobicContact CG2-CG1 4.36Å; I56-I402 PolarHBondContact O-N 3.34Å; I56-E404 HydrophobicContact CB-CG 4.46Å; I56-E404 HydrophobicContact CD1-CG 3.46Å; I56-E404 VanDerWaalsContact CD1-CG 3.46Å; I56-E404 WeakPolarHBondContact CD1-OE1 3.38Å; I56-E404 HydrophobicContact CG1-CG 3.62Å; I56-E404 WeakPolarHBondContact CG1-OE1 3.44Å
57	I	77.2	Confident	76.1	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	117.3	-173.8	-54.3	175.3	0	0	0	110.1	V37 L38 V40 I68 I72 A399 E400 I401	V37-I57 CarbonylContact C-O 3.51Å; V37-I57 WeakPolarHBondContact CA-O 3.31Å; L38-I57 PolarHBondContact N-O 2.85Å; L38-I57 PolarHBondContact O-N 2.86Å; V40-I57 HydrophobicContact CB-CD1 4.29Å; V40-I57 HydrophobicContact CG2-CD1 3.89Å; I57-I68 HydrophobicContact CD1-CG2 3.77Å; I57-I68 HydrophobicContact CG2-CD1 3.7Å; I57-I72 HydrophobicContact CD1-CD1 3.56Å; I57-I72 HydrophobicContact CD1-CG1 3.48Å; I57-I72 VanDerWaalsContact CD1-CG1 3.48Å; I57-A399 HydrophobicContact CG2-CB 4.41Å; I57-E400 CarbonylContact C-O 3.45Å; I57-E400 VanDerWaalsContact CA-O 3.27Å; I57-E400 WeakPolarHBondContact CA-O 2.81Å; I57-I401 HydrophobicContact CG1-CG1 4.24Å
58	R	76.1	Confident	77.7	Confident	117 Å²	117	40.5 Å²	40.5	44%	0.442	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	133.6	167	-175.8	-178.2	-67.9	146.5	-4.5	108.9	R36 A399 E400 I402	R36-R58 VanDerWaalsContact O-CA 3.28Å; R36-R58 WeakPolarHBondContact O-CA 3.5Å; R58-A399 WeakPolarHBondContact O-CA 3.12Å; R58-E400 HydrophobicContact CB-CB 4.46Å; R58-E400 IonicContact CZ-OE2 2.71Å; R58-E400 PolarHBondContact N-O 2.86Å; R58-E400 IonicContact NH1-OE2 2.71Å; R58-E400 PolarHBondContact NH1-OE2 2.8Å; R58-E400 PolarHBondContact O-N 3.06Å; R58-I402 HydrophobicContact CB-CD1 4.08Å
59	H	78.1	Confident	79.3	Confident	7 Å²	7	38.1 Å²	38.1	3%	0.032	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	157.6	-177.5	68.7	85.8	0	0	0	113.7	R36 T63 I68 S106 Y398	R36-H59 WeakPolarHBondContact CB-O 3.35Å; R36-H59 PolarHBondContact O-N 2.94Å; H59-T63 HydrophobicContact CB-CG2 4.06Å; H59-I68 HydrophobicContact CB-CD1 4.19Å; H59-S106 PolarHBondContact CE1-OG 2.83Å; H59-Y398 CarbonylContact C-O 3.5Å; H59-Y398 VanDerWaalsContact CA-O 3.31Å; H59-Y398 WeakPolarHBondContact CA-O 3.48Å
60	G	71.4	Confident	80.5	Confident	8 Å²	8	37.2 Å²	37.2	8%	0.082	21%	0.207	C	C	.	.			trans	-80.8	-178.5	171.4	0	0	0	0	0	112.7	T63 D396 Y398	G60-T63 PolarHBondContact N-OG1 3.42Å; G60-D396 CarbonylContact C-O 3.52Å; G60-D396 WeakPolarHBondContact CA-O 3.45Å; G60-Y398 PolarHBondContact N-O 3.37Å
61	D	73.6	Confident	81.2	Confident	68 Å²	68	38 Å²	38	36%	0.364	20%	0.203	S	C	.	.	S	Bend	trans	-79.8	-28.8	-179.9	-66.2	-44.1	0	0	0	111.9	R36 D396	R36-D61 IonicContact CZ-OD1 2.7Å; R36-D61 IonicContact CZ-OD2 3.72Å; R36-D61 IonicContact NE-OD1 2.66Å; R36-D61 PolarHBondContact NE-OD1 3.35Å; R36-D61 IonicContact NH1-OD1 3.23Å; R36-D61 PolarHBondContact NH1-OD1 3.5Å; R36-D61 IonicContact NH1-OD2 3.4Å; R36-D61 PolarHBondContact NH1-OD2 3.49Å; R36-D61 IonicContact NH2-OD1 2.65Å; R36-D61 PolarHBondContact NH2-OD1 3.33Å; R36-D61 IonicContact NH2-OD2 2.81Å; R36-D61 PolarHBondContact NH2-OD2 2.8Å; D61-D396 WeakPolarHBondContact CB-OD1 3.38Å; D61-D396 PolarHBondContact N-O 3.31Å; D61-D396 PolarHBondContact N-OD1 3.1Å; D61-D396 VanDerWaalsContact N-OD1 3.15Å
62	A	76.8	Confident	82.2	Confident	38 Å²	38	33 Å²	33	31%	0.314	17%	0.173	S	C	.	.	S	Bend	trans	-93.9	-2.7	178.4	0	0	0	0	0	114.4	D64 D396	A62-D64 PolarHBondContact O-N 2.97Å; A62-D396 HydrophobicContact CB-CB 4.07Å; A62-D396 WeakPolarHBondContact CB-O 3.42Å; A62-D396 PolarHBondContact N-O 3.37Å
63	T	81.6	Confident	83	Confident	1 Å²	1	30 Å²	30	1%	0.006	15%	0.154	C	C	.	.			trans	-59.8	128.2	178.9	-54.2	0	0	0	0	111.4	H59 G60 I68 V105 D397 Y398 A399	H59-T63 HydrophobicContact CB-CG2 4.06Å; G60-T63 PolarHBondContact N-OG1 3.42Å; T63-I68 HydrophobicContact CG2-CD1 3.87Å; T63-I68 HydrophobicContact CG2-CG1 4.17Å; T63-V105 HydrophobicContact CG2-CG2 4.41Å; T63-V105 WeakPolarHBondContact O-CG2 3.44Å; T63-V105 PolarHBondContact O-N 3.33Å; T63-D397 PolarHBondContact OG1-O 3.42Å; T63-Y398 PolarHBondContact OG1-O 2.96Å; T63-A399 HydrophobicContact CG2-CB 4.15Å
64	D	86.1	Confident	83.1	Confident	46 Å²	46	33.4 Å²	33.4	25%	0.246	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-98	167.5	175.8	68.8	-1.4	0	0	0	112.9	A62 R66 G67 I68 M103	A62-D64 PolarHBondContact O-N 2.97Å; D64-R66 PolarHBondContact O-N 2.78Å; D64-R66 WeakPolarHBondContact OD1-CB 3.27Å; D64-R66 PolarHBondContact OD1-N 3.28Å; D64-G67 PolarHBondContact O-N 3.26Å; D64-G67 VanDerWaalsContact O-N 3.12Å; D64-G67 PolarHBondContact OD1-N 3.25Å; D64-I68 PolarHBondContact O-N 3.03Å; D64-M103 CarbonylContact C-O 3.48Å; D64-M103 VanDerWaalsContact CA-O 3.24Å; D64-M103 WeakPolarHBondContact CA-O 3.36Å; D64-M103 WeakPolarHBondContact CB-O 3.44Å
65	V	92.1	Very high	83.1	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-56.5	-35.9	176.5	167.6	0	0	0	0	111.2	I68 I69 F86 L99 M103	V65-I68 PolarHBondContact O-N 3.05Å; V65-I69 HydrophobicContact CG1-CD1 3.86Å; V65-I69 HydrophobicContact CG1-CG1 4.31Å; V65-I69 WeakPolarHBondContact O-CG1 3.13Å; V65-I69 PolarHBondContact O-N 2.9Å; V65-F86 HydrophobicContact CG1-CB 3.43Å; V65-F86 VanDerWaalsContact CG1-CB 3.43Å; V65-F86 HydrophobicContact CG1-CD1 3.8Å; V65-F86 HydrophobicContact CG1-CG 3.78Å; V65-F86 HydrophobicContact CG2-CD1 4.03Å; V65-L99 HydrophobicContact CG2-CB 4.14Å; V65-M103 HydrophobicContact CG2-CB 4.35Å; V65-M103 WeakPolarHBondContact CG2-O 3.49Å; V65-M103 PolarHBondContact N-O 2.92Å
66	R	89.6	Confident	83.3	Confident	76 Å²	76	38.4 Å²	38.4	29%	0.287	20%	0.2	S	C	.	.	H	α-helix	trans	-58.2	-47.5	174.3	-174.2	-173.3	-60.3	-90	7.1	111.9	D64 I68 I69 Q70 V101 D102 S356	D64-R66 PolarHBondContact O-N 2.78Å; D64-R66 WeakPolarHBondContact OD1-CB 3.27Å; D64-R66 PolarHBondContact OD1-N 3.28Å; R66-I68 VanDerWaalsContact C-N 3.34Å; R66-I68 PolarHBondContact O-N 3.18Å; R66-I69 PolarHBondContact O-N 2.85Å; R66-Q70 VanDerWaalsContact O-CB 3.24Å; R66-Q70 WeakPolarHBondContact O-CB 3.42Å; R66-Q70 PolarHBondContact O-N 3.43Å; R66-V101 HydrophobicContact CB-CB 4.24Å; R66-V101 WeakPolarHBondContact CB-O 3.31Å; R66-V101 PolarHBondContact N-O 2.93Å; R66-D102 IonicContact CZ-OD1 2.76Å; R66-D102 IonicContact NE-OD1 2.67Å; R66-D102 IonicContact NH2-OD1 3.17Å; R66-D102 PolarHBondContact NH2-OD1 2.84Å; R66-S356 PolarHBondContact NH1-O 3.41Å; R66-S356 PolarHBondContact NH2-O 3.45Å
67	G	83.6	Confident	83.8	Confident	25 Å²	25	44.9 Å²	44.9	26%	0.258	23%	0.227	S	C	.	.	H	α-helix	trans	-60	-41.4	176.3	0	0	0	0	0	112.7	D64 K71	D64-G67 PolarHBondContact O-N 3.26Å; D64-G67 VanDerWaalsContact O-N 3.12Å; D64-G67 PolarHBondContact OD1-N 3.25Å; G67-K71 WeakPolarHBondContact O-CB 3.44Å; G67-K71 PolarHBondContact O-N 2.78Å
68	I	89.4	Confident	84.6	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.8	-51.5	174.1	-60.2	-61.2	0	0	0	111.4	V40 I57 H59 T63 D64 V65 R66 Q70 K71 I72 F86 V105 A399	V40-I68 HydrophobicContact CG2-CG2 4.14Å; I57-I68 HydrophobicContact CD1-CG2 3.77Å; I57-I68 HydrophobicContact CG2-CD1 3.7Å; H59-I68 HydrophobicContact CB-CD1 4.19Å; T63-I68 HydrophobicContact CG2-CD1 3.87Å; T63-I68 HydrophobicContact CG2-CG1 4.17Å; D64-I68 PolarHBondContact O-N 3.03Å; V65-I68 PolarHBondContact O-N 3.05Å; R66-I68 VanDerWaalsContact C-N 3.34Å; R66-I68 PolarHBondContact O-N 3.18Å; I68-Q70 PolarHBondContact O-N 2.73Å; I68-K71 PolarHBondContact O-N 2.85Å; I68-I72 HydrophobicContact CG2-CD1 4.08Å; I68-I72 WeakPolarHBondContact O-CG1 3.38Å; I68-I72 PolarHBondContact O-N 3.25Å; I68-F86 HydrophobicContact CG2-CE2 3.89Å; I68-F86 HydrophobicContact CG2-CZ 3.96Å; I68-V105 HydrophobicContact CD1-CG2 4.12Å; I68-V105 HydrophobicContact CG1-CG2 3.49Å; I68-V105 VanDerWaalsContact CG1-CG2 3.49Å; I68-A399 HydrophobicContact CD1-CB 4.5Å
69	I	92.9	Very high	85.4	Confident	6 Å²	6	46.5 Å²	46.5	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-56.7	-53.5	177.9	-67.1	167.4	0	0	0	109.8	V65 R66 K71 I72 V73 F86 V101 L125	V65-I69 HydrophobicContact CG1-CD1 3.86Å; V65-I69 HydrophobicContact CG1-CG1 4.31Å; V65-I69 WeakPolarHBondContact O-CG1 3.13Å; V65-I69 PolarHBondContact O-N 2.9Å; R66-I69 PolarHBondContact O-N 2.85Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 3.27Å; I69-I72 PolarHBondContact O-N 3.17Å; I69-I72 VanDerWaalsContact O-N 3.14Å; I69-V73 HydrophobicContact CG2-CG1 4.21Å; I69-V73 WeakPolarHBondContact O-CG2 3.45Å; I69-V73 PolarHBondContact O-N 2.71Å; I69-F86 HydrophobicContact CD1-CB 4.2Å; I69-F86 HydrophobicContact CG1-CB 4.42Å; I69-F86 HydrophobicContact CG1-CD2 4.39Å; I69-V101 HydrophobicContact CD1-CG1 4.11Å; I69-L125 HydrophobicContact CB-CD1 4.34Å; I69-L125 HydrophobicContact CG1-CD1 3.84Å; I69-L125 HydrophobicContact CG2-CD1 4.1Å
70	Q	87	Confident	86.3	Confident	73 Å²	73	48.2 Å²	48.2	34%	0.341	25%	0.246	S	C	.	.	H	α-helix	trans	-53.4	-47.5	-177.1	-171.8	65.2	55.3	0	0	111	R66 I68 I72 V73 D74	R66-Q70 VanDerWaalsContact O-CB 3.24Å; R66-Q70 WeakPolarHBondContact O-CB 3.42Å; R66-Q70 PolarHBondContact O-N 3.43Å; I68-Q70 PolarHBondContact O-N 2.73Å; Q70-I72 PolarHBondContact O-N 3.27Å; Q70-V73 WeakPolarHBondContact O-CG2 3.38Å; Q70-V73 PolarHBondContact O-N 3.33Å; Q70-D74 WeakPolarHBondContact CG-OD2 3.39Å; Q70-D74 PolarHBondContact NE2-OD1 2.7Å; Q70-D74 PolarHBondContact NE2-OD2 2.82Å; Q70-D74 VanDerWaalsContact O-CB 3.3Å; Q70-D74 WeakPolarHBondContact O-CB 3.19Å; Q70-D74 VanDerWaalsContact O-CG 3.22Å; Q70-D74 PolarHBondContact O-N 3.32Å
71	K	83.6	Confident	87.4	Confident	84 Å²	84	49.5 Å²	49.5	37%	0.365	25%	0.252	S	S	.	.	H	α-helix	trans	-60.3	-43	-180	-166	74.6	-178.3	-151	0	113	G67 I68 I69 S75 A399 I401	G67-K71 WeakPolarHBondContact O-CB 3.44Å; G67-K71 PolarHBondContact O-N 2.78Å; I68-K71 PolarHBondContact O-N 2.85Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 3.27Å; K71-S75 PolarHBondContact O-N 3.06Å; K71-A399 WeakPolarHBondContact CD-O 3.13Å; K71-A399 WeakPolarHBondContact CE-O 3.34Å; K71-A399 PolarHBondContact NZ-O 3.38Å; K71-I401 HydrophobicContact CG-CD1 4.01Å; K71-I401 HydrophobicContact CG-CG1 3.89Å; K71-I401 WeakPolarHBondContact O-CD1 3.33Å
72	I	86.6	Confident	88.5	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-70.2	-43.4	-179.8	-55.5	161.5	0	0	0	110.9	V40 F44 I57 I68 I69 Q70 S75 H76 L125	V40-I72 HydrophobicContact CB-CD1 4.09Å; V40-I72 HydrophobicContact CG1-CD1 3.67Å; V40-I72 HydrophobicContact CG2-CD1 4.44Å; F44-I72 HydrophobicContact CD2-CG2 4.16Å; F44-I72 HydrophobicContact CE2-CG2 3.89Å; I57-I72 HydrophobicContact CD1-CD1 3.56Å; I57-I72 HydrophobicContact CD1-CG1 3.48Å; I57-I72 VanDerWaalsContact CD1-CG1 3.48Å; I68-I72 HydrophobicContact CG2-CD1 4.08Å; I68-I72 WeakPolarHBondContact O-CG1 3.38Å; I68-I72 PolarHBondContact O-N 3.25Å; I69-I72 PolarHBondContact O-N 3.17Å; I69-I72 VanDerWaalsContact O-N 3.14Å; Q70-I72 PolarHBondContact O-N 3.27Å; I72-S75 PolarHBondContact O-OG 3.44Å; I72-H76 PolarHBondContact O-ND1 2.81Å; I72-L125 HydrophobicContact CB-CD2 4.02Å; I72-L125 HydrophobicContact CD1-CD2 4.04Å; I72-L125 HydrophobicContact CG2-CD2 3.67Å
73	V	90.5	Very high	89.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-74.5	-30.8	-175.7	-58.1	0	0	0	0	112.3	F44 I69 Q70 H76 K77 V78 V81 Y84 L125	F44-V73 HydrophobicContact CZ-CG1 4.4Å; I69-V73 HydrophobicContact CG2-CG1 4.21Å; I69-V73 WeakPolarHBondContact O-CG2 3.45Å; I69-V73 PolarHBondContact O-N 2.71Å; Q70-V73 WeakPolarHBondContact O-CG2 3.38Å; Q70-V73 PolarHBondContact O-N 3.33Å; V73-H76 CarbonylContact O-C 3.54Å; V73-H76 PolarHBondContact O-N 2.75Å; V73-K77 PolarHBondContact O-N 3.28Å; V73-K77 VanDerWaalsContact O-N 3.09Å; V73-V78 HydrophobicContact CB-CB 3.85Å; V73-V78 HydrophobicContact CB-CG1 4.15Å; V73-V78 HydrophobicContact CB-CG2 3.92Å; V73-V78 HydrophobicContact CG1-CG2 4.44Å; V73-V78 PolarHBondContact O-N 3.25Å; V73-V78 VanDerWaalsContact O-N 3.15Å; V73-V81 HydrophobicContact CG2-CB 4.31Å; V73-V81 HydrophobicContact CG2-CG1 3.91Å; V73-V81 HydrophobicContact CG2-CG2 3.73Å; V73-Y84 HydrophobicContact CG1-CD1 4.01Å; V73-Y84 HydrophobicContact CG1-CD2 4.1Å; V73-Y84 HydrophobicContact CG1-CE1 4.14Å; V73-Y84 HydrophobicContact CG1-CE2 4.27Å; V73-Y84 HydrophobicContact CG1-CG 3.97Å; V73-L125 HydrophobicContact CG1-CD2 4.25Å
74	D	84.4	Confident	90.3	Very high	85 Å²	85	47.5 Å²	47.5	46%	0.455	24%	0.244	S	C	.	.	H	α-helix	trans	-67.5	-40.7	175.7	-77.1	-22.2	0	0	0	112.7	Q70 H76 K77	Q70-D74 WeakPolarHBondContact CG-OD2 3.39Å; Q70-D74 PolarHBondContact NE2-OD1 2.7Å; Q70-D74 PolarHBondContact NE2-OD2 2.82Å; Q70-D74 VanDerWaalsContact O-CB 3.3Å; Q70-D74 WeakPolarHBondContact O-CB 3.19Å; Q70-D74 VanDerWaalsContact O-CG 3.22Å; Q70-D74 PolarHBondContact O-N 3.32Å; D74-H76 PolarHBondContact O-N 3.43Å; D74-H76 VanDerWaalsContact O-N 3.16Å; D74-K77 PolarHBondContact O-N 3.11Å
75	S	82.2	Confident	90.9	Very high	68 Å²	68	45.3 Å²	45.3	48%	0.476	23%	0.232	S	C	.	.	H	α-helix	trans	-61.6	-24.9	175.8	68.8	0	0	0	0	112.3	K71 I72	K71-S75 PolarHBondContact O-N 3.06Å; I72-S75 PolarHBondContact O-OG 3.44Å
76	H	87.3	Confident	91.1	Very high	63 Å²	63	45.3 Å²	45.3	29%	0.292	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-0.4	176.5	-64.5	88.2	0	0	0	114.6	F44 I72 V73 D74 V78 P143	F44-H76 WeakPolarHBondContact CB-NE2 3.3Å; F44-H76 HydrophobicContact CD1-CB 3.78Å; F44-H76 AromaticContact CD1-CD2 3.53Å; F44-H76 AromaticContact CD1-CG 3.57Å; F44-H76 AromaticContact CD2-CD2 3.96Å; F44-H76 AromaticContact CD2-CE1 3.66Å; F44-H76 AromaticContact CD2-CG 3.77Å; F44-H76 AromaticContact CD2-ND1 3.58Å; F44-H76 AromaticContact CD2-NE2 3.9Å; F44-H76 HydrophobicContact CE1-CB 3.56Å; F44-H76 AromaticContact CE1-CG 3.79Å; F44-H76 HydrophobicContact CE2-CB 4.33Å; F44-H76 AromaticContact CE2-CG 3.99Å; F44-H76 AromaticContact CE2-ND1 3.79Å; F44-H76 HydrophobicContact CG-CB 4.28Å; F44-H76 AromaticContact CG-CD2 3.4Å; F44-H76 WeakPolarHBondContact CG-CD2 3.38Å; F44-H76 AromaticContact CG-CE1 3.82Å; F44-H76 AromaticContact CG-CG 3.57Å; F44-H76 AromaticContact CG-ND1 3.84Å; F44-H76 AromaticContact CG-NE2 3.57Å; F44-H76 HydrophobicContact CZ-CB 3.87Å; F44-H76 AromaticContact CZ-CG 4Å; I72-H76 PolarHBondContact O-ND1 2.81Å; V73-H76 CarbonylContact O-C 3.54Å; V73-H76 PolarHBondContact O-N 2.75Å; D74-H76 PolarHBondContact O-N 3.43Å; D74-H76 VanDerWaalsContact O-N 3.16Å; H76-V78 VanDerWaalsContact C-N 3.32Å; H76-V78 HydrophobicContact CB-CG2 4.42Å; H76-V78 PolarHBondContact O-N 2.77Å; H76-P143 WeakPolarHBondContact O-CG 3.45Å
77	K	90.5	Very high	91.4	Very high	177 Å²	177	44 Å²	44	77%	0.77	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	37.7	178.1	-51.2	178.1	-176.4	178.9	0	114.1	V73 D74	V73-K77 PolarHBondContact O-N 3.28Å; V73-K77 VanDerWaalsContact O-N 3.09Å; D74-K77 PolarHBondContact O-N 3.11Å
78	V	93.4	Very high	92	Very high	13 Å²	13	42.8 Å²	42.8	8%	0.079	22%	0.215	C	C	.	.			trans	-62	144.4	173.1	164.3	0	0	0	0	111	F44 V73 H76 V81 Y84 P143	F44-V78 HydrophobicContact CE1-CG2 3.84Å; F44-V78 HydrophobicContact CZ-CG2 3.76Å; V73-V78 HydrophobicContact CB-CB 3.85Å; V73-V78 HydrophobicContact CB-CG1 4.15Å; V73-V78 HydrophobicContact CB-CG2 3.92Å; V73-V78 HydrophobicContact CG1-CG2 4.44Å; V73-V78 PolarHBondContact O-N 3.25Å; V73-V78 VanDerWaalsContact O-N 3.15Å; H76-V78 VanDerWaalsContact C-N 3.32Å; H76-V78 HydrophobicContact CB-CG2 4.42Å; H76-V78 PolarHBondContact O-N 2.77Å; V78-V81 HydrophobicContact CG1-CG2 4.1Å; V78-Y84 HydrophobicContact CG1-CD2 4.4Å; V78-Y84 HydrophobicContact CG1-CE2 3.68Å; V78-Y84 HydrophobicContact CG2-CE2 4.37Å; V78-P143 HydrophobicContact CG2-CB 4.04Å
79	K	93.4	Very high	92.1	Very high	138 Å²	138	43.5 Å²	43.5	60%	0.6	22%	0.22	S	C	*	.	S	Bend	trans	-95.6	-45.1	168.9	-57.9	174.8	179	173.1	0	112.2	V81 E140 D141	K79-V81 PolarHBondContact O-N 3.02Å; K79-E140 PolarHBondContact NZ-O 2.88Å; K79-D141 HydrophobicContact CB-CB 4.23Å; K79-D141 WeakPolarHBondContact CB-OD2 3.16Å; K79-D141 HydrophobicContact CD-CB 4.13Å; K79-D141 HydrophobicContact CG-CB 4.4Å; K79-D141 PolarHBondContact N-OD1 2.85Å; K79-D141 VanDerWaalsContact N-OD1 3.13Å; K79-D141 PolarHBondContact N-OD2 2.99Å
80	H	95.4	Very high	91.9	Very high	42 Å²	42	44 Å²	44	19%	0.194	22%	0.222	C	C	.	.			trans	-84.9	52.9	-172.5	-62.7	88.2	0	0	0	113	A82 C83 Q137 F138 D141 T144	H80-A82 PolarHBondContact O-N 3.27Å; H80-C83 WeakPolarHBondContact O-CB 3.28Å; H80-C83 PolarHBondContact O-N 3.2Å; H80-Q137 PolarHBondContact CE1-O 2.79Å; H80-Q137 VanDerWaalsContact CE1-O 3.24Å; H80-F138 HydrophobicContact CB-CE1 4.27Å; H80-D141 IonicContact CE1-OD2 3.54Å; H80-D141 IonicContact CG-OD2 3.84Å; H80-D141 PolarHBondContact N-OD2 2.85Å; H80-D141 WeakPolarHBondContact ND1-CB 3.4Å; H80-D141 IonicContact ND1-OD2 3.01Å; H80-D141 PolarHBondContact ND1-OD2 2.87Å; H80-T144 HydrophobicContact CB-CG2 4.35Å
81	V	95.9	Very high	91.7	Very high	36 Å²	36	45.7 Å²	45.7	22%	0.218	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-52.5	-41.2	-176.3	174.4	0	0	0	0	112.6	V73 V78 K79 C83 Y84	V73-V81 HydrophobicContact CG2-CB 4.31Å; V73-V81 HydrophobicContact CG2-CG1 3.91Å; V73-V81 HydrophobicContact CG2-CG2 3.73Å; V78-V81 HydrophobicContact CG1-CG2 4.1Å; K79-V81 PolarHBondContact O-N 3.02Å; V81-C83 PolarHBondContact O-N 3.49Å; V81-Y84 PolarHBondContact O-N 3.12Å; V81-Y84 VanDerWaalsContact O-N 3.16Å
82	A	96	Very high	91.6	Very high	58 Å²	58	50.2 Å²	50.2	48%	0.479	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-65.2	-8.3	-178.4	0	0	0	0	0	115.1	H80 Y129 L351	H80-A82 PolarHBondContact O-N 3.27Å; A82-Y129 WeakPolarHBondContact O-CD2 3.48Å; A82-L351 HydrophobicContact CB-CD1 3.9Å
83	C	98	Very high	91.6	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.007	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-82.3	-15	176.4	-59.6	0	0	0	0	113.2	H80 V81 I127 R128 Y129 F138	H80-C83 WeakPolarHBondContact O-CB 3.28Å; H80-C83 PolarHBondContact O-N 3.2Å; V81-C83 PolarHBondContact O-N 3.49Å; C83-I127 HydrophobicContact CB-CG2 4.27Å; C83-I127 WeakPolarHBondContact O-CA 3.39Å; C83-R128 PolarHBondContact O-N 3.3Å; C83-Y129 VanDerWaalsContact CA-O 3.28Å; C83-Y129 WeakPolarHBondContact CA-O 3.32Å; C83-Y129 VanDerWaalsContact CB-O 3.25Å; C83-Y129 WeakPolarHBondContact CB-O 3.48Å; C83-Y129 PolarHBondContact O-N 2.91Å; C83-Y129 PolarHBondContact SG-O 2.99Å; C83-F138 HydrophobicContact CB-CZ 4.47Å
84	Y	98.3	Very high	91.2	Very high	5 Å²	5	62.2 Å²	62.2	2%	0.02	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	134.8	-174	-71.7	-99.5	0	0	0	112.1	F44 V73 V78 V81 L125 R126 I127 Y129 T144 F147	F44-Y84 HydrophobicContact CZ-CE1 4.12Å; V73-Y84 HydrophobicContact CG1-CD1 4.01Å; V73-Y84 HydrophobicContact CG1-CD2 4.1Å; V73-Y84 HydrophobicContact CG1-CE1 4.14Å; V73-Y84 HydrophobicContact CG1-CE2 4.27Å; V73-Y84 HydrophobicContact CG1-CG 3.97Å; V78-Y84 HydrophobicContact CG1-CD2 4.4Å; V78-Y84 HydrophobicContact CG1-CE2 3.68Å; V78-Y84 HydrophobicContact CG2-CE2 4.37Å; V81-Y84 PolarHBondContact O-N 3.12Å; V81-Y84 VanDerWaalsContact O-N 3.16Å; Y84-L125 HydrophobicContact CD1-CD1 3.99Å; Y84-L125 HydrophobicContact CD1-CD2 4.08Å; Y84-L125 HydrophobicContact CD1-CG 3.91Å; Y84-L125 HydrophobicContact CE1-CD2 4.36Å; Y84-R126 CarbonylContact C-O 3.45Å; Y84-R126 WeakPolarHBondContact CA-O 3.48Å; Y84-I127 HydrophobicContact CD1-CG1 3.99Å; Y84-I127 HydrophobicContact CD2-CG1 4.31Å; Y84-I127 HydrophobicContact CE1-CD1 4.29Å; Y84-I127 HydrophobicContact CE1-CG1 3.77Å; Y84-I127 HydrophobicContact CE2-CD1 4.35Å; Y84-I127 HydrophobicContact CE2-CG1 4.07Å; Y84-I127 HydrophobicContact CG-CG1 4.27Å; Y84-Y129 WeakPolarHBondContact O-CE2 3.31Å; Y84-T144 HydrophobicContact CE2-CG2 4.24Å; Y84-F147 HydrophobicContact CD1-CE1 4.27Å; Y84-F147 HydrophobicContact CD1-CZ 4.14Å; Y84-F147 AromaticContact CE1-CD1 3.83Å; Y84-F147 HydrophobicContact CE1-CD1 3.83Å; Y84-F147 AromaticContact CE1-CD2 3.87Å; Y84-F147 HydrophobicContact CE1-CD2 3.87Å; Y84-F147 AromaticContact CE1-CE1 3.71Å; Y84-F147 HydrophobicContact CE1-CE1 3.71Å; Y84-F147 AromaticContact CE1-CE2 3.71Å; Y84-F147 HydrophobicContact CE1-CE2 3.71Å; Y84-F147 AromaticContact CE1-CG 3.92Å; Y84-F147 HydrophobicContact CE1-CG 3.92Å; Y84-F147 AromaticContact CE1-CZ 3.64Å; Y84-F147 HydrophobicContact CE1-CZ 3.64Å
85	G	97.6	Very high	91.3	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	170.8	171.1	0	0	0	0	0	111.2	R126	G85-R126 PolarHBondContact N-O 3.1Å; G85-R126 PolarHBondContact O-N 3.2Å
86	F	97.3	Very high	91.8	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.009	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	120.3	-172.9	-158	-120.6	0	0	0	109.9	L38 V40 V65 I68 I69 L99 Y123 L125	L38-F86 HydrophobicContact CD2-CE1 4.37Å; L38-F86 HydrophobicContact CD2-CZ 3.93Å; V40-F86 HydrophobicContact CB-CE2 4.37Å; V40-F86 HydrophobicContact CG1-CE2 3.59Å; V40-F86 HydrophobicContact CG1-CZ 4.28Å; V40-F86 HydrophobicContact CG2-CE2 3.82Å; V40-F86 HydrophobicContact CG2-CZ 3.73Å; V65-F86 HydrophobicContact CG1-CB 3.43Å; V65-F86 VanDerWaalsContact CG1-CB 3.43Å; V65-F86 HydrophobicContact CG1-CD1 3.8Å; V65-F86 HydrophobicContact CG1-CG 3.78Å; V65-F86 HydrophobicContact CG2-CD1 4.03Å; I68-F86 HydrophobicContact CG2-CE2 3.89Å; I68-F86 HydrophobicContact CG2-CZ 3.96Å; I69-F86 HydrophobicContact CD1-CB 4.2Å; I69-F86 HydrophobicContact CG1-CB 4.42Å; I69-F86 HydrophobicContact CG1-CD2 4.39Å; F86-L99 HydrophobicContact CB-CB 4.4Å; F86-L99 HydrophobicContact CD1-CB 4.04Å; F86-L99 HydrophobicContact CD1-CD1 3.52Å; F86-L99 HydrophobicContact CD1-CG 4.35Å; F86-L99 HydrophobicContact CE1-CD1 3.87Å; F86-L99 PolarHBondContact O-N 3.04Å; F86-Y123 AromaticContact CE1-CD1 3.8Å; F86-Y123 HydrophobicContact CE1-CD1 3.8Å; F86-Y123 HydrophobicContact CZ-CD1 4.21Å; F86-L125 HydrophobicContact CD2-CD1 4.49Å
87	R	96.9	Very high	92.1	Very high	47 Å²	47	58 Å²	58	18%	0.177	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129.6	-174.9	-168.9	177.6	75.3	175.8	-2.2	110.1	S89 V96 W98 Y123 E124 R126	R87-S89 PolarHBondContact NE-OG 2.92Å; R87-V96 HydrophobicContact CG-CG1 3.54Å; R87-W98 HydrophobicContact CB-CD2 4.14Å; R87-W98 HydrophobicContact CB-CE3 3.86Å; R87-W98 HydrophobicContact CB-CH2 4.21Å; R87-W98 HydrophobicContact CB-CZ2 4.42Å; R87-W98 HydrophobicContact CB-CZ3 3.9Å; R87-W98 HydrophobicContact CG-CD2 4.18Å; R87-W98 HydrophobicContact CG-CE3 4.42Å; R87-W98 HydrophobicContact CG-CZ2 4.39Å; R87-Y123 CarbonylContact O-C 3.58Å; R87-E124 IonicContact CZ-OE1 3.07Å; R87-E124 IonicContact CZ-OE2 3.32Å; R87-E124 PolarHBondContact N-O 3.47Å; R87-E124 IonicContact NE-OE2 3.44Å; R87-E124 IonicContact NH2-OE1 2.69Å; R87-E124 PolarHBondContact NH2-OE1 3.15Å; R87-E124 IonicContact NH2-OE2 2.72Å; R87-E124 PolarHBondContact NH2-OE2 3.32Å; R87-E124 PolarHBondContact O-N 3.48Å; R87-R126 VanDerWaalsContact CZ-CD 3.47Å
88	L	95.2	Very high	92.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.1	165.5	177	61.5	0	0	0	108.3	V96 H97 L99 Y112 W121 K122 Y123	L88-V96 WeakPolarHBondContact O-CA 3.46Å; L88-H97 HydrophobicContact CB-CB 4.33Å; L88-H97 PolarHBondContact N-O 2.96Å; L88-H97 PolarHBondContact O-N 2.43Å; L88-L99 HydrophobicContact CB-CD1 3.79Å; L88-L99 HydrophobicContact CB-CD2 4.27Å; L88-L99 HydrophobicContact CB-CG 3.99Å; L88-L99 HydrophobicContact CD2-CD2 4.4Å; L88-Y112 HydrophobicContact CD2-CD1 4.03Å; L88-Y112 HydrophobicContact CD2-CD2 3.44Å; L88-Y112 VanDerWaalsContact CD2-CD2 3.44Å; L88-Y112 HydrophobicContact CD2-CE1 4.44Å; L88-Y112 HydrophobicContact CD2-CE2 3.92Å; L88-Y112 HydrophobicContact CD2-CG 3.5Å; L88-Y112 VanDerWaalsContact CD2-CG 3.5Å; L88-W121 HydrophobicContact CD1-CB 3.92Å; L88-W121 HydrophobicContact CD1-CD2 4.02Å; L88-W121 HydrophobicContact CD1-CE3 3.56Å; L88-W121 HydrophobicContact CD1-CG 4.2Å; L88-W121 HydrophobicContact CD1-CZ3 4.39Å; L88-W121 HydrophobicContact CD2-CD2 4.44Å; L88-W121 HydrophobicContact CD2-CE3 4.01Å; L88-W121 HydrophobicContact CD2-CZ3 4.18Å; L88-W121 HydrophobicContact CG-CD2 4.36Å; L88-W121 HydrophobicContact CG-CE3 3.6Å; L88-W121 HydrophobicContact CG-CZ3 3.93Å; L88-K122 WeakPolarHBondContact CA-O 3.4Å; L88-Y123 HydrophobicContact CD1-CD1 3.9Å; L88-Y123 HydrophobicContact CD1-CD2 4.33Å; L88-Y123 HydrophobicContact CD1-CE1 3.75Å; L88-Y123 HydrophobicContact CD1-CE2 4.2Å; L88-Y123 HydrophobicContact CD1-CG 4.2Å; L88-Y123 HydrophobicContact CD2-CE1 4.42Å
89	S	91.4	Very high	92.6	Very high	15 Å²	15	50.3 Å²	50.3	11%	0.105	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.7	179	-58.2	0	0	0	0	110.1	R87 K122	R87-S89 PolarHBondContact NE-OG 2.92Å; S89-K122 PolarHBondContact N-O 3.41Å; S89-K122 PolarHBondContact O-N 2.85Å
90	H	89.1	Confident	92.7	Very high	17 Å²	17	44.3 Å²	44.3	8%	0.079	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	134.3	172.2	-170.7	-124.7	0	0	0	109.6	R92 S93 E95 H116 E120 W121	H90-R92 VanDerWaalsContact C-N 3.32Å; H90-R92 PolarHBondContact O-N 2.72Å; H90-S93 PolarHBondContact ND1-N 2.68Å; H90-S93 PolarHBondContact ND1-OG 3.08Å; H90-E95 HydrophobicContact CB-CB 4.29Å; H90-E95 PolarHBondContact N-O 2.68Å; H90-H116 AromaticContact NE2-CG 3.62Å; H90-H116 AromaticContact NE2-ND1 3.62Å; H90-E120 PolarHBondContact CD2-O 2.81Å; H90-E120 VanDerWaalsContact CD2-O 3.29Å; H90-E120 IonicContact NE2-OE2 3.98Å; H90-W121 HydrophobicContact CB-CE3 4Å; H90-W121 HydrophobicContact CB-CH2 4.1Å; H90-W121 HydrophobicContact CB-CZ3 3.6Å
91	L	83	Confident	92.5	Very high	108 Å²	108	42.8 Å²	42.8	57%	0.565	22%	0.215	S	C	*	.	S	Bend	trans	-79.4	-12.4	-173.7	-68.6	177.9	0	0	0	113.9	E120 K122	L91-E120 WeakPolarHBondContact CB-O 3.43Å; L91-E120 PolarHBondContact N-O 2.77Å; L91-K122 HydrophobicContact CD2-CB 3.88Å; L91-K122 HydrophobicContact CD2-CD 4.26Å; L91-K122 HydrophobicContact CG-CB 4.26Å
92	R	81.9	Confident	92.3	Very high	179 Å²	179	42.6 Å²	42.6	68%	0.675	21%	0.213	S	C	*	.	S	Bend	trans	-115.2	0.2	-177.5	-60.4	-171	-174.9	151.1	11.4	114.7	H90 E120	H90-R92 VanDerWaalsContact C-N 3.32Å; H90-R92 PolarHBondContact O-N 2.72Å; R92-E120 WeakPolarHBondContact CD-OE2 3.3Å; R92-E120 IonicContact CZ-OE1 3.72Å; R92-E120 IonicContact CZ-OE2 2.93Å; R92-E120 VanDerWaalsContact CZ-OE2 3.29Å; R92-E120 IonicContact NE-OE1 2.84Å; R92-E120 IonicContact NE-OE2 3.34Å; R92-E120 IonicContact NH1-OE1 3.17Å; R92-E120 PolarHBondContact NH1-OE1 2.83Å; R92-E120 IonicContact NH1-OE2 2.71Å; R92-E120 PolarHBondContact NH1-OE2 3.48Å; R92-E120 IonicContact NH2-OE1 3.7Å; R92-E120 PolarHBondContact NH2-OE1 1.84Å; R92-E120 IonicContact NH2-OE2 3.65Å
93	S	86.7	Confident	92	Very high	54 Å²	54	40.1 Å²	40.1	38%	0.378	19%	0.192	S	C	.	.	S	Bend	trans	-140	170.4	173.8	63.1	0	0	0	0	110.1	H90 E95	H90-S93 PolarHBondContact ND1-N 2.68Å; H90-S93 PolarHBondContact ND1-OG 3.08Å; S93-E95 PolarHBondContact O-N 3.41Å; S93-E95 WeakPolarHBondContact OG-CB 3.37Å; S93-E95 PolarHBondContact OG-N 2.57Å
94	E	81.5	Confident	91.6	Very high	198 Å²	198	40.1 Å²	40.1	93%	0.925	19%	0.192	S	C	*	.	S	Bend	trans	-79.9	18.4	173.8	-60.8	178.4	174.6	0	0	112.3
95	E	85.9	Confident	91.1	Very high	77 Å²	77	40 Å²	40	36%	0.36	19%	0.192	S	C	.	.			trans	-81	126	-173.9	-170	173.7	174.5	0	0	112.1	H90 S93 H97	H90-E95 HydrophobicContact CB-CB 4.29Å; H90-E95 PolarHBondContact N-O 2.68Å; S93-E95 PolarHBondContact O-N 3.41Å; S93-E95 WeakPolarHBondContact OG-CB 3.37Å; S93-E95 PolarHBondContact OG-N 2.57Å; E95-H97 IonicContact OE1-CD2 1.84Å; E95-H97 IonicContact OE1-CE1 2.43Å; E95-H97 PolarHBondContact OE1-CE1 2.88Å; E95-H97 IonicContact OE1-NE2 3.63Å; E95-H97 PolarHBondContact OE1-NE2 2.91Å
96	V	92.3	Very high	90.5	Very high	42 Å²	42	41 Å²	41	26%	0.255	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	130.2	-175.4	177.3	0	0	0	0	109.9	R87 L88 T336 N340	R87-V96 HydrophobicContact CG-CG1 3.54Å; L88-V96 WeakPolarHBondContact O-CA 3.46Å; V96-T336 WeakPolarHBondContact O-CG2 3.5Å; V96-N340 PolarHBondContact O-ND2 3.08Å
97	H	95.1	Very high	90.1	Very high	8 Å²	8	42.5 Å²	42.5	4%	0.037	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121.5	174.2	-62.8	-95.3	0	0	0	108.8	L88 E95 L99 Y112 T336	L88-H97 HydrophobicContact CB-CB 4.33Å; L88-H97 PolarHBondContact N-O 2.96Å; L88-H97 PolarHBondContact O-N 2.43Å; E95-H97 IonicContact OE1-CD2 1.84Å; E95-H97 IonicContact OE1-CE1 2.43Å; E95-H97 PolarHBondContact OE1-CE1 2.88Å; E95-H97 IonicContact OE1-NE2 3.63Å; E95-H97 PolarHBondContact OE1-NE2 2.91Å; H97-L99 HydrophobicContact CB-CD2 4.43Å; H97-Y112 HydrophobicContact CB-CE1 4.41Å; H97-Y112 AromaticContact CD2-CE1 3.64Å; H97-Y112 AromaticContact CE1-CE1 3.52Å; H97-Y112 AromaticContact CG-CE1 3.6Å; H97-Y112 AromaticContact CG-CZ 3.66Å; H97-Y112 VanDerWaalsContact CG-OH 3.32Å; H97-Y112 AromaticContact ND1-CE1 3.49Å; H97-Y112 WeakPolarHBondContact ND1-CE1 3.39Å; H97-Y112 AromaticContact ND1-CZ 3.54Å; H97-Y112 PolarHBondContact ND1-OH 2.93Å; H97-Y112 AromaticContact NE2-CE1 3.59Å; H97-T336 VanDerWaalsContact CE1-CG2 3.44Å; H97-T336 WeakPolarHBondContact CE1-CG2 3.44Å
98	W	97.5	Very high	89.7	Confident	29 Å²	29	40.3 Å²	40.3	11%	0.11	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	116.5	166.7	-74.7	97	0	0	0	108.7	R87 H100 R126 R128 N340 D343	R87-W98 HydrophobicContact CB-CD2 4.14Å; R87-W98 HydrophobicContact CB-CE3 3.86Å; R87-W98 HydrophobicContact CB-CH2 4.21Å; R87-W98 HydrophobicContact CB-CZ2 4.42Å; R87-W98 HydrophobicContact CB-CZ3 3.9Å; R87-W98 HydrophobicContact CG-CD2 4.18Å; R87-W98 HydrophobicContact CG-CE3 4.42Å; R87-W98 HydrophobicContact CG-CZ2 4.39Å; W98-H100 PolarHBondContact O-N 3.47Å; W98-R126 HydrophobicContact CH2-CB 3.72Å; W98-R126 HydrophobicContact CH2-CG 4.42Å; W98-R126 HydrophobicContact CZ3-CB 4.06Å; W98-R128 VanDerWaalsContact CG-CZ 3.42Å; W98-R128 VanDerWaalsContact CG-NH1 3.27Å; W98-R128 HydrophobicContact CH2-CB 3.83Å; W98-R128 HydrophobicContact CH2-CG 3.71Å; W98-R128 HydrophobicContact CZ2-CB 4.49Å; W98-R128 HydrophobicContact CZ2-CG 3.88Å; W98-R128 HydrophobicContact CZ3-CB 3.97Å; W98-R128 HydrophobicContact CZ3-CG 4.07Å; W98-N340 PolarHBondContact N-OD1 3.5Å; W98-D343 HydrophobicContact CB-CB 4.47Å
99	L	96.3	Very high	89.3	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	114	-173.6	-60.5	176	0	0	0	108.6	V65 F86 L88 H97 V108 Y112 Y123	V65-L99 HydrophobicContact CG2-CB 4.14Å; F86-L99 HydrophobicContact CB-CB 4.4Å; F86-L99 HydrophobicContact CD1-CB 4.04Å; F86-L99 HydrophobicContact CD1-CD1 3.52Å; F86-L99 HydrophobicContact CD1-CG 4.35Å; F86-L99 HydrophobicContact CE1-CD1 3.87Å; F86-L99 PolarHBondContact O-N 3.04Å; L88-L99 HydrophobicContact CB-CD1 3.79Å; L88-L99 HydrophobicContact CB-CD2 4.27Å; L88-L99 HydrophobicContact CB-CG 3.99Å; L88-L99 HydrophobicContact CD2-CD2 4.4Å; H97-L99 HydrophobicContact CB-CD2 4.43Å; L99-V108 HydrophobicContact CD1-CG1 3.7Å; L99-V108 HydrophobicContact CD2-CG1 3.78Å; L99-V108 HydrophobicContact CD2-CG2 4.28Å; L99-V108 HydrophobicContact CG-CG1 4.38Å; L99-Y112 HydrophobicContact CD2-CE2 3.84Å; L99-Y123 HydrophobicContact CD1-CD1 4.11Å; L99-Y123 HydrophobicContact CD1-CE1 4.14Å
100	H	95.1	Very high	89.1	Confident	12 Å²	12	45.7 Å²	45.7	6%	0.056	22%	0.223	C	C	.	.			trans	-63	141.7	-178.1	-175.7	-90.3	0	0	0	111.1	W98 D102 M103 D343 D346 R350 S358	W98-H100 PolarHBondContact O-N 3.47Å; H100-D102 VanDerWaalsContact CE1-CB 3.44Å; H100-D102 WeakPolarHBondContact CE1-CB 3.47Å; H100-D102 IonicContact CE1-OD1 2.76Å; H100-D102 IonicContact CE1-OD2 3.89Å; H100-D102 PolarHBondContact CE1-OD2 3.17Å; H100-D102 PolarHBondContact ND1-N 2.81Å; H100-D102 PolarHBondContact O-N 3.03Å; H100-D102 VanDerWaalsContact O-N 3.1Å; H100-M103 HydrophobicContact CB-CG 4.06Å; H100-M103 HydrophobicContact CB-SD 4.01Å; H100-M103 WeakPolarHBondContact O-CB 3.24Å; H100-M103 WeakPolarHBondContact O-CG 3.42Å; H100-M103 PolarHBondContact O-N 2.88Å; H100-D343 IonicContact CD2-OD1 2.98Å; H100-D346 IonicContact CD2-OD2 3.42Å; H100-D346 IonicContact NE2-OD1 3.56Å; H100-D346 IonicContact NE2-OD2 2.91Å; H100-D346 PolarHBondContact NE2-OD2 3.22Å; H100-R350 PolarHBondContact NE2-NH1 3.36Å; H100-S358 WeakPolarHBondContact CE1-CB 3.42Å; H100-S358 PolarHBondContact CE1-OG 3Å; H100-S358 VanDerWaalsContact NE2-CB 3.3Å; H100-S358 WeakPolarHBondContact NE2-CB 3.47Å; H100-S358 PolarHBondContact NE2-OG 2.8Å
101	V	92.4	Very high	88.9	Confident	9 Å²	9	47.7 Å²	47.7	6%	0.055	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-29	-171.6	-66.5	0	0	0	0	114.5	R66 I69 M103	R66-V101 HydrophobicContact CB-CB 4.24Å; R66-V101 WeakPolarHBondContact CB-O 3.31Å; R66-V101 PolarHBondContact N-O 2.93Å; I69-V101 HydrophobicContact CD1-CG1 4.11Å; V101-M103 VanDerWaalsContact C-N 3.33Å
102	D	90.2	Very high	89	Confident	33 Å²	33	43.3 Å²	43.3	18%	0.176	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	9.9	-179.8	-56	-23.1	0	0	0	113.3	R66 H100 R362	R66-D102 IonicContact CZ-OD1 2.76Å; R66-D102 IonicContact NE-OD1 2.67Å; R66-D102 IonicContact NH2-OD1 3.17Å; R66-D102 PolarHBondContact NH2-OD1 2.84Å; H100-D102 VanDerWaalsContact CE1-CB 3.44Å; H100-D102 WeakPolarHBondContact CE1-CB 3.47Å; H100-D102 IonicContact CE1-OD1 2.76Å; H100-D102 IonicContact CE1-OD2 3.89Å; H100-D102 PolarHBondContact CE1-OD2 3.17Å; H100-D102 PolarHBondContact ND1-N 2.81Å; H100-D102 PolarHBondContact O-N 3.03Å; H100-D102 VanDerWaalsContact O-N 3.1Å; D102-R362 IonicContact OD2-NH2 3.08Å
103	M	90.3	Very high	88.9	Confident	6 Å²	6	35.8 Å²	35.8	3%	0.03	18%	0.18	C	C	.	.	S	Bend	trans	-83.2	131.6	176	-64.6	179.3	74.1	0	0	111.4	D64 V65 H100 V101 V108 L371 I374	D64-M103 CarbonylContact C-O 3.48Å; D64-M103 VanDerWaalsContact CA-O 3.24Å; D64-M103 WeakPolarHBondContact CA-O 3.36Å; D64-M103 WeakPolarHBondContact CB-O 3.44Å; V65-M103 HydrophobicContact CG2-CB 4.35Å; V65-M103 WeakPolarHBondContact CG2-O 3.49Å; V65-M103 PolarHBondContact N-O 2.92Å; H100-M103 HydrophobicContact CB-CG 4.06Å; H100-M103 HydrophobicContact CB-SD 4.01Å; H100-M103 WeakPolarHBondContact O-CB 3.24Å; H100-M103 WeakPolarHBondContact O-CG 3.42Å; H100-M103 PolarHBondContact O-N 2.88Å; V101-M103 VanDerWaalsContact C-N 3.33Å; M103-V108 HydrophobicContact CB-CG2 3.83Å; M103-V108 HydrophobicContact CE-CG2 3.86Å; M103-L371 HydrophobicContact CE-CD2 4.06Å; M103-L371 HydrophobicContact CG-CD1 4.41Å; M103-L371 HydrophobicContact SD-CD2 4.2Å; M103-I374 HydrophobicContact CG-CG1 4.3Å
104	G	89.4	Confident	88.5	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.01	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-69.1	129.8	173.2	0	0	0	0	0	111	S106 S107 V108 S373	G104-S106 PolarHBondContact O-N 3.12Å; G104-S107 PolarHBondContact O-N 2.85Å; G104-V108 WeakPolarHBondContact O-CG2 3.28Å; G104-V108 PolarHBondContact O-N 2.94Å; G104-S373 WeakPolarHBondContact CA-O 3.44Å; G104-S373 PolarHBondContact N-O 2.88Å
105	V	87.9	Confident	88.2	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.018	18%	0.183	C	C	.	.	H	α-helix	trans	-61.4	-48.9	-173.7	177.2	0	0	0	0	111	L38 T63 I68 S107 V108 R109	L38-V105 HydrophobicContact CD2-CG1 3.97Å; T63-V105 HydrophobicContact CG2-CG2 4.41Å; T63-V105 WeakPolarHBondContact O-CG2 3.44Å; T63-V105 PolarHBondContact O-N 3.33Å; I68-V105 HydrophobicContact CD1-CG2 4.12Å; I68-V105 HydrophobicContact CG1-CG2 3.49Å; I68-V105 VanDerWaalsContact CG1-CG2 3.49Å; V105-S107 VanDerWaalsContact C-N 3.27Å; V105-S107 PolarHBondContact O-N 3.47Å; V105-V108 WeakPolarHBondContact O-CB 3.35Å; V105-V108 PolarHBondContact O-N 3.23Å; V105-R109 HydrophobicContact CG1-CG 4.46Å; V105-R109 WeakPolarHBondContact O-CG 3.48Å; V105-R109 PolarHBondContact O-N 2.87Å
106	S	85.6	Confident	88	Confident	21 Å²	21	34 Å²	34	15%	0.147	18%	0.181	C	C	.	.	H	α-helix	trans	-54.5	-44	179.9	-60	0	0	0	0	112	H59 G104 R109 E110	H59-S106 PolarHBondContact CE1-OG 2.83Å; G104-S106 PolarHBondContact O-N 3.12Å; S106-R109 WeakPolarHBondContact O-CB 3.49Å; S106-R109 PolarHBondContact O-N 3.07Å; S106-E110 WeakPolarHBondContact O-CG 3.45Å; S106-E110 PolarHBondContact O-N 2.88Å
107	S	87.6	Confident	87.5	Confident	32 Å²	32	34.4 Å²	34.4	22%	0.224	19%	0.185	C	C	.	.	H	α-helix	trans	-84.2	-12.3	-179.5	-54.8	0	0	0	0	114.3	G104 V105 E110 K111 S373	G104-S107 PolarHBondContact O-N 2.85Å; V105-S107 VanDerWaalsContact C-N 3.27Å; V105-S107 PolarHBondContact O-N 3.47Å; S107-E110 WeakPolarHBondContact CA-OE2 3.47Å; S107-E110 WeakPolarHBondContact CB-OE2 3.39Å; S107-E110 PolarHBondContact OG-OE2 3.01Å; S107-E110 VanDerWaalsContact OG-OE2 3.09Å; S107-K111 WeakPolarHBondContact O-CB 3.42Å; S107-K111 PolarHBondContact O-N 3.4Å; S107-S373 VanDerWaalsContact C-OG 3.26Å; S107-S373 VanDerWaalsContact CB-CA 3.4Å; S107-S373 WeakPolarHBondContact O-CB 3.33Å; S107-S373 PolarHBondContact O-OG 3.27Å
108	V	89.5	Confident	86.7	Confident	2 Å²	2	37 Å²	37	1%	0.012	20%	0.203	C	C	.	.	H	α-helix	trans	-68.2	-48.8	160.7	165.1	0	0	0	0	108.7	L99 M103 G104 V105 E110 K111 Y112 Y123	L99-V108 HydrophobicContact CD1-CG1 3.7Å; L99-V108 HydrophobicContact CD2-CG1 3.78Å; L99-V108 HydrophobicContact CD2-CG2 4.28Å; L99-V108 HydrophobicContact CG-CG1 4.38Å; M103-V108 HydrophobicContact CB-CG2 3.83Å; M103-V108 HydrophobicContact CE-CG2 3.86Å; G104-V108 WeakPolarHBondContact O-CG2 3.28Å; G104-V108 PolarHBondContact O-N 2.94Å; V105-V108 WeakPolarHBondContact O-CB 3.35Å; V105-V108 PolarHBondContact O-N 3.23Å; V108-E110 PolarHBondContact O-N 3.27Å; V108-K111 WeakPolarHBondContact O-CB 3.46Å; V108-K111 PolarHBondContact O-N 2.77Å; V108-K111 VanDerWaalsContact O-N 3.07Å; V108-Y112 HydrophobicContact CG1-CD2 3.92Å; V108-Y112 HydrophobicContact CG1-CE2 4.23Å; V108-Y112 VanDerWaalsContact O-CD2 3.28Å; V108-Y112 WeakPolarHBondContact O-CD2 3.28Å; V108-Y112 PolarHBondContact O-N 2.83Å; V108-Y112 VanDerWaalsContact O-N 3.12Å; V108-Y123 HydrophobicContact CG1-CE1 4.2Å
109	R	87.3	Confident	85.8	Confident	25 Å²	25	42.1 Å²	42.1	9%	0.094	23%	0.228	C	C	.	.	H	α-helix	trans	-58	-48.1	177.5	-62.6	-173.7	64.3	-162.3	-12.7	110.8	E35 V105 S106 K111 Y112 E113	E35-R109 PolarHBondContact O-NH1 3.44Å; V105-R109 HydrophobicContact CG1-CG 4.46Å; V105-R109 WeakPolarHBondContact O-CG 3.48Å; V105-R109 PolarHBondContact O-N 2.87Å; S106-R109 WeakPolarHBondContact O-CB 3.49Å; S106-R109 PolarHBondContact O-N 3.07Å; R109-K111 VanDerWaalsContact C-N 3.33Å; R109-K111 PolarHBondContact O-N 3.13Å; R109-Y112 PolarHBondContact O-N 3.07Å; R109-E113 HydrophobicContact CB-CG 4.45Å; R109-E113 WeakPolarHBondContact CB-OE1 3.38Å; R109-E113 VanDerWaalsContact CG-OE1 3.28Å; R109-E113 WeakPolarHBondContact CG-OE1 3.38Å; R109-E113 IonicContact CZ-OE1 3.93Å; R109-E113 IonicContact CZ-OE2 3.35Å; R109-E113 IonicContact NE-OE1 3.56Å; R109-E113 PolarHBondContact NE-OE1 2.73Å; R109-E113 IonicContact NE-OE2 2.71Å; R109-E113 PolarHBondContact NE-OE2 3.44Å; R109-E113 VanDerWaalsContact NE-OE2 3.17Å; R109-E113 IonicContact NH2-OE1 3.61Å; R109-E113 IonicContact NH2-OE2 2.7Å; R109-E113 PolarHBondContact NH2-OE2 3.29Å; R109-E113 WeakPolarHBondContact O-CA 3.46Å; R109-E113 WeakPolarHBondContact O-CB 3.28Å; R109-E113 PolarHBondContact O-N 2.82Å
110	E	86.4	Confident	85.3	Confident	102 Å²	102	43.1 Å²	43.1	48%	0.477	23%	0.232	S	C	.	.	H	α-helix	trans	-55.5	-43.1	172.7	-68	167.4	164.6	0	0	112.8	S106 S107 V108 Y112 L114	S106-E110 WeakPolarHBondContact O-CG 3.45Å; S106-E110 PolarHBondContact O-N 2.88Å; S107-E110 WeakPolarHBondContact CA-OE2 3.47Å; S107-E110 WeakPolarHBondContact CB-OE2 3.39Å; S107-E110 PolarHBondContact OG-OE2 3.01Å; S107-E110 VanDerWaalsContact OG-OE2 3.09Å; V108-E110 PolarHBondContact O-N 3.27Å; E110-Y112 PolarHBondContact O-N 2.78Å; E110-L114 WeakPolarHBondContact O-CB 3.43Å; E110-L114 VanDerWaalsContact O-CD1 3.23Å; E110-L114 WeakPolarHBondContact O-CD1 3.44Å; E110-L114 WeakPolarHBondContact O-CG 3.49Å
111	K	85.6	Confident	84.8	Confident	60 Å²	60	43.3 Å²	43.3	26%	0.261	23%	0.233	S	C	.	.	H	α-helix	trans	-62.4	-39.6	-179.7	-177.2	-174.5	173.2	-165.9	0	112.6	S107 V108 R109 E339 P372	S107-K111 WeakPolarHBondContact O-CB 3.42Å; S107-K111 PolarHBondContact O-N 3.4Å; V108-K111 WeakPolarHBondContact O-CB 3.46Å; V108-K111 PolarHBondContact O-N 2.77Å; V108-K111 VanDerWaalsContact O-N 3.07Å; R109-K111 VanDerWaalsContact C-N 3.33Å; R109-K111 PolarHBondContact O-N 3.13Å; K111-E339 IonicContact NZ-OE2 2.99Å; K111-P372 HydrophobicContact CD-CB 4.1Å; K111-P372 HydrophobicContact CD-CG 3.94Å; K111-P372 HydrophobicContact CG-CB 4.33Å; K111-P372 HydrophobicContact CG-CG 4.47Å
112	Y	84.9	Confident	84.7	Confident	15 Å²	15	45.3 Å²	45.3	6%	0.059	24%	0.241	C	C	.	.	H	α-helix	trans	-107.9	-36.7	-168.6	-65.5	-73.8	0	0	0	114.4	L88 H97 L99 V108 R109 E110 L114 A115 H116 W121	L88-Y112 HydrophobicContact CD2-CD1 4.03Å; L88-Y112 HydrophobicContact CD2-CD2 3.44Å; L88-Y112 VanDerWaalsContact CD2-CD2 3.44Å; L88-Y112 HydrophobicContact CD2-CE1 4.44Å; L88-Y112 HydrophobicContact CD2-CE2 3.92Å; L88-Y112 HydrophobicContact CD2-CG 3.5Å; L88-Y112 VanDerWaalsContact CD2-CG 3.5Å; H97-Y112 HydrophobicContact CB-CE1 4.41Å; H97-Y112 AromaticContact CD2-CE1 3.64Å; H97-Y112 AromaticContact CE1-CE1 3.52Å; H97-Y112 AromaticContact CG-CE1 3.6Å; H97-Y112 AromaticContact CG-CZ 3.66Å; H97-Y112 VanDerWaalsContact CG-OH 3.32Å; H97-Y112 AromaticContact ND1-CE1 3.49Å; H97-Y112 WeakPolarHBondContact ND1-CE1 3.39Å; H97-Y112 AromaticContact ND1-CZ 3.54Å; H97-Y112 PolarHBondContact ND1-OH 2.93Å; H97-Y112 AromaticContact NE2-CE1 3.59Å; L99-Y112 HydrophobicContact CD2-CE2 3.84Å; V108-Y112 HydrophobicContact CG1-CD2 3.92Å; V108-Y112 HydrophobicContact CG1-CE2 4.23Å; V108-Y112 VanDerWaalsContact O-CD2 3.28Å; V108-Y112 WeakPolarHBondContact O-CD2 3.28Å; V108-Y112 PolarHBondContact O-N 2.83Å; V108-Y112 VanDerWaalsContact O-N 3.12Å; R109-Y112 PolarHBondContact O-N 3.07Å; E110-Y112 PolarHBondContact O-N 2.78Å; Y112-L114 PolarHBondContact O-N 3.39Å; Y112-A115 PolarHBondContact O-N 3Å; Y112-H116 PolarHBondContact O-N 3.3Å; Y112-W121 HydrophobicContact CD1-CH2 4.09Å; Y112-W121 HydrophobicContact CD1-CZ2 4.16Å; Y112-W121 PolarHBondContact O-NE1 3.5Å
113	E	80.5	Confident	84.9	Confident	22 Å²	22	44.3 Å²	44.3	10%	0.103	23%	0.234	C	C	.	.	H	α-helix	trans	-74.6	-13.5	177.8	-61.5	172.8	-155.8	0	0	112.3	R109 H116 P118 Y123	R109-E113 HydrophobicContact CB-CG 4.45Å; R109-E113 WeakPolarHBondContact CB-OE1 3.38Å; R109-E113 VanDerWaalsContact CG-OE1 3.28Å; R109-E113 WeakPolarHBondContact CG-OE1 3.38Å; R109-E113 IonicContact CZ-OE1 3.93Å; R109-E113 IonicContact CZ-OE2 3.35Å; R109-E113 IonicContact NE-OE1 3.56Å; R109-E113 PolarHBondContact NE-OE1 2.73Å; R109-E113 IonicContact NE-OE2 2.71Å; R109-E113 PolarHBondContact NE-OE2 3.44Å; R109-E113 VanDerWaalsContact NE-OE2 3.17Å; R109-E113 IonicContact NH2-OE1 3.61Å; R109-E113 IonicContact NH2-OE2 2.7Å; R109-E113 PolarHBondContact NH2-OE2 3.29Å; R109-E113 WeakPolarHBondContact O-CA 3.46Å; R109-E113 WeakPolarHBondContact O-CB 3.28Å; R109-E113 PolarHBondContact O-N 2.82Å; E113-H116 CarbonylContact C-O 3.54Å; E113-H116 WeakPolarHBondContact CA-O 3.38Å; E113-P118 HydrophobicContact CB-CG 4.25Å; E113-P118 HydrophobicContact CG-CB 4.3Å; E113-P118 HydrophobicContact CG-CG 4.12Å; E113-Y123 PolarHBondContact OE1-OH 3.17Å
114	L	77.2	Confident	85.1	Confident	150 Å²	150	44.1 Å²	44.1	79%	0.785	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-22.7	165.4	-76.3	179.4	0	0	0	113.5	E110 Y112	E110-L114 WeakPolarHBondContact O-CB 3.43Å; E110-L114 VanDerWaalsContact O-CD1 3.23Å; E110-L114 WeakPolarHBondContact O-CD1 3.44Å; E110-L114 WeakPolarHBondContact O-CG 3.49Å; Y112-L114 PolarHBondContact O-N 3.39Å
115	A	75.9	Confident	85.5	Confident	68 Å²	68	44 Å²	44	56%	0.562	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-39.1	-177.8	0	0	0	0	0	112.4	Y112	Y112-A115 PolarHBondContact O-N 3Å
116	H	81.4	Confident	86	Confident	72 Å²	72	44.5 Å²	44.5	33%	0.333	24%	0.235	S	C	.	.	S	Bend	trans	-142.6	151.1	-179.5	-65.6	-85.9	0	0	0	110.5	H90 Y112 E113 W121	H90-H116 AromaticContact NE2-CG 3.62Å; H90-H116 AromaticContact NE2-ND1 3.62Å; Y112-H116 PolarHBondContact O-N 3.3Å; E113-H116 CarbonylContact C-O 3.54Å; E113-H116 WeakPolarHBondContact CA-O 3.38Å; H116-W121 HydrophobicContact CB-CZ2 4.32Å; H116-W121 PolarHBondContact O-NE1 3.25Å
117	P	81.8	Confident	86.6	Confident	51 Å²	51	43.8 Å²	43.8	33%	0.331	23%	0.229	S	C	.	.			trans	-55.4	145.7	179.3	-24.7	34	0	0	0	112.9	E119 E120	P117-E119 HydrophobicContact CB-CG 4.28Å; P117-E119 WeakPolarHBondContact CB-OE1 3.46Å; P117-E119 VanDerWaalsContact CB-OE2 3.3Å; P117-E119 WeakPolarHBondContact CB-OE2 3.45Å; P117-E119 PolarHBondContact O-N 3.02Å; P117-E119 VanDerWaalsContact O-N 3.14Å; P117-E120 HydrophobicContact CB-CG 4.37Å; P117-E120 HydrophobicContact CG-CG 4.47Å; P117-E120 PolarHBondContact O-N 3.41Å
118	P	77.3	Confident	87.2	Confident	64 Å²	64	42.7 Å²	42.7	42%	0.416	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-55	-33.4	-178.9	-25.9	34.3	0	0	0	114.3	E113 E120 W121	E113-P118 HydrophobicContact CB-CG 4.25Å; E113-P118 HydrophobicContact CG-CB 4.3Å; E113-P118 HydrophobicContact CG-CG 4.12Å; P118-E120 PolarHBondContact O-N 3.36Å; P118-W121 PolarHBondContact O-N 3.06Å; P118-W121 VanDerWaalsContact O-N 3.1Å
119	E	78.8	Confident	87.6	Confident	136 Å²	136	42.7 Å²	42.7	64%	0.636	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-70	-12.8	177.4	67.1	-87.6	-158.8	0	0	114.6	P117	P117-E119 HydrophobicContact CB-CG 4.28Å; P117-E119 WeakPolarHBondContact CB-OE1 3.46Å; P117-E119 VanDerWaalsContact CB-OE2 3.3Å; P117-E119 WeakPolarHBondContact CB-OE2 3.45Å; P117-E119 PolarHBondContact O-N 3.02Å; P117-E119 VanDerWaalsContact O-N 3.14Å
120	E	85.6	Confident	88.1	Confident	21 Å²	21	41.9 Å²	41.9	10%	0.098	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-89.8	-5.7	172.1	-57.6	-170.8	-157.3	0	0	112.1	H90 L91 R92 P117 P118	H90-E120 PolarHBondContact CD2-O 2.81Å; H90-E120 VanDerWaalsContact CD2-O 3.29Å; H90-E120 IonicContact NE2-OE2 3.98Å; L91-E120 WeakPolarHBondContact CB-O 3.43Å; L91-E120 PolarHBondContact N-O 2.77Å; R92-E120 WeakPolarHBondContact CD-OE2 3.3Å; R92-E120 IonicContact CZ-OE1 3.72Å; R92-E120 IonicContact CZ-OE2 2.93Å; R92-E120 VanDerWaalsContact CZ-OE2 3.29Å; R92-E120 IonicContact NE-OE1 2.84Å; R92-E120 IonicContact NE-OE2 3.34Å; R92-E120 IonicContact NH1-OE1 3.17Å; R92-E120 PolarHBondContact NH1-OE1 2.83Å; R92-E120 IonicContact NH1-OE2 2.71Å; R92-E120 PolarHBondContact NH1-OE2 3.48Å; R92-E120 IonicContact NH2-OE1 3.7Å; R92-E120 PolarHBondContact NH2-OE1 1.84Å; R92-E120 IonicContact NH2-OE2 3.65Å; P117-E120 HydrophobicContact CB-CG 4.37Å; P117-E120 HydrophobicContact CG-CG 4.47Å; P117-E120 PolarHBondContact O-N 3.41Å; P118-E120 PolarHBondContact O-N 3.36Å
121	W	86.1	Confident	88.6	Confident	17 Å²	17	37.7 Å²	37.7	6%	0.064	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	140.8	178.8	-71.8	114.5	0	0	0	112.5	L88 H90 Y112 H116 P118	L88-W121 HydrophobicContact CD1-CB 3.92Å; L88-W121 HydrophobicContact CD1-CD2 4.02Å; L88-W121 HydrophobicContact CD1-CE3 3.56Å; L88-W121 HydrophobicContact CD1-CG 4.2Å; L88-W121 HydrophobicContact CD1-CZ3 4.39Å; L88-W121 HydrophobicContact CD2-CD2 4.44Å; L88-W121 HydrophobicContact CD2-CE3 4.01Å; L88-W121 HydrophobicContact CD2-CZ3 4.18Å; L88-W121 HydrophobicContact CG-CD2 4.36Å; L88-W121 HydrophobicContact CG-CE3 3.6Å; L88-W121 HydrophobicContact CG-CZ3 3.93Å; H90-W121 HydrophobicContact CB-CE3 4Å; H90-W121 HydrophobicContact CB-CH2 4.1Å; H90-W121 HydrophobicContact CB-CZ3 3.6Å; Y112-W121 HydrophobicContact CD1-CH2 4.09Å; Y112-W121 HydrophobicContact CD1-CZ2 4.16Å; Y112-W121 PolarHBondContact O-NE1 3.5Å; H116-W121 HydrophobicContact CB-CZ2 4.32Å; H116-W121 PolarHBondContact O-NE1 3.25Å; P118-W121 PolarHBondContact O-N 3.06Å; P118-W121 VanDerWaalsContact O-N 3.1Å
122	K	89.1	Confident	89.1	Confident	50 Å²	50	41.7 Å²	41.7	22%	0.217	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	114.7	174.9	-170.7	-165	178.1	-159	0	110.4	F41 L88 S89 L91 E124	F41-K122 HydrophobicContact CD2-CD 4.28Å; F41-K122 HydrophobicContact CD2-CG 3.57Å; F41-K122 HydrophobicContact CE2-CG 3.89Å; F41-K122 HydrophobicContact CG-CG 4.3Å; L88-K122 WeakPolarHBondContact CA-O 3.4Å; S89-K122 PolarHBondContact N-O 3.41Å; S89-K122 PolarHBondContact O-N 2.85Å; L91-K122 HydrophobicContact CD2-CB 3.88Å; L91-K122 HydrophobicContact CD2-CD 4.26Å; L91-K122 HydrophobicContact CG-CB 4.26Å; K122-E124 WeakPolarHBondContact CE-OE2 3.33Å; K122-E124 IonicContact NZ-OE2 3.08Å; K122-E124 PolarHBondContact NZ-OE2 2.85Å
123	Y	93.8	Very high	89.5	Confident	12 Å²	12	42.5 Å²	42.5	5%	0.047	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	129.1	168.9	-60.5	-91	0	0	0	109.7	L38 F41 F86 R87 L88 L99 V108 E113	L38-Y123 HydrophobicContact CD1-CD1 4.1Å; L38-Y123 HydrophobicContact CD1-CD2 3.49Å; L38-Y123 VanDerWaalsContact CD1-CD2 3.49Å; L38-Y123 HydrophobicContact CD1-CE1 4.09Å; L38-Y123 HydrophobicContact CD1-CE2 3.48Å; L38-Y123 VanDerWaalsContact CD1-CE2 3.48Å; L38-Y123 HydrophobicContact CD1-CG 3.81Å; L38-Y123 HydrophobicContact CG-CD2 4.39Å; L38-Y123 HydrophobicContact CG-CG 4.38Å; F41-Y123 PolarHBondContact N-O 3.33Å; F86-Y123 AromaticContact CE1-CD1 3.8Å; F86-Y123 HydrophobicContact CE1-CD1 3.8Å; F86-Y123 HydrophobicContact CZ-CD1 4.21Å; R87-Y123 CarbonylContact O-C 3.58Å; L88-Y123 HydrophobicContact CD1-CD1 3.9Å; L88-Y123 HydrophobicContact CD1-CD2 4.33Å; L88-Y123 HydrophobicContact CD1-CE1 3.75Å; L88-Y123 HydrophobicContact CD1-CE2 4.2Å; L88-Y123 HydrophobicContact CD1-CG 4.2Å; L88-Y123 HydrophobicContact CD2-CE1 4.42Å; L99-Y123 HydrophobicContact CD1-CD1 4.11Å; L99-Y123 HydrophobicContact CD1-CE1 4.14Å; V108-Y123 HydrophobicContact CG1-CE1 4.2Å; E113-Y123 PolarHBondContact OE1-OH 3.17Å
124	E	95.4	Very high	90.3	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.009	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	116.8	-172	-163.5	-177.3	136	0	0	111.2	F41 Y43 R87 K122 R126	F41-E124 HydrophobicContact CB-CG 4.22Å; F41-E124 CarbonylContact O-C 3.55Å; F41-E124 WeakPolarHBondContact O-CA 3.35Å; Y43-E124 WeakPolarHBondContact CE2-OE1 3.31Å; Y43-E124 PolarHBondContact OH-OE1 2.92Å; R87-E124 IonicContact CZ-OE1 3.07Å; R87-E124 IonicContact CZ-OE2 3.32Å; R87-E124 PolarHBondContact N-O 3.47Å; R87-E124 IonicContact NE-OE2 3.44Å; R87-E124 IonicContact NH2-OE1 2.69Å; R87-E124 PolarHBondContact NH2-OE1 3.15Å; R87-E124 IonicContact NH2-OE2 2.72Å; R87-E124 PolarHBondContact NH2-OE2 3.32Å; R87-E124 PolarHBondContact O-N 3.48Å; K122-E124 WeakPolarHBondContact CE-OE2 3.33Å; K122-E124 IonicContact NZ-OE2 3.08Å; K122-E124 PolarHBondContact NZ-OE2 2.85Å; E124-R126 HydrophobicContact CG-CG 3.98Å; E124-R126 VanDerWaalsContact OE1-CD 3.25Å; E124-R126 WeakPolarHBondContact OE1-CD 3.17Å; E124-R126 IonicContact OE1-CZ 2.85Å; E124-R126 IonicContact OE1-NE 3.96Å; E124-R126 IonicContact OE1-NH1 3.87Å; E124-R126 PolarHBondContact OE1-NH1 2.9Å
125	L	98.1	Very high	91.2	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	130.9	169.7	-179.4	69.3	0	0	0	109	V40 F41 H42 F44 I69 I72 V73 Y84 F86 F147	V40-L125 HydrophobicContact CG1-CB 3.93Å; F41-L125 PolarHBondContact O-N 3.15Å; H42-L125 HydrophobicContact CB-CB 4.08Å; H42-L125 HydrophobicContact CB-CD2 4.34Å; F44-L125 HydrophobicContact CE2-CD2 4Å; I69-L125 HydrophobicContact CB-CD1 4.34Å; I69-L125 HydrophobicContact CG1-CD1 3.84Å; I69-L125 HydrophobicContact CG2-CD1 4.1Å; I72-L125 HydrophobicContact CB-CD2 4.02Å; I72-L125 HydrophobicContact CD1-CD2 4.04Å; I72-L125 HydrophobicContact CG2-CD2 3.67Å; V73-L125 HydrophobicContact CG1-CD2 4.25Å; Y84-L125 HydrophobicContact CD1-CD1 3.99Å; Y84-L125 HydrophobicContact CD1-CD2 4.08Å; Y84-L125 HydrophobicContact CD1-CG 3.91Å; Y84-L125 HydrophobicContact CE1-CD2 4.36Å; F86-L125 HydrophobicContact CD2-CD1 4.49Å; L125-F147 HydrophobicContact CD2-CE2 4.16Å; L125-F147 HydrophobicContact CD2-CZ 4.3Å; L125-F147 HydrophobicContact CG-CE2 4.45Å; L125-F147 HydrophobicContact CG-CZ 4.09Å; L125-F147 WeakPolarHBondContact O-CZ 3.34Å
126	R	98.5	Very high	92.1	Very high	13 Å²	13	39.8 Å²	39.8	5%	0.049	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	153.6	-178.2	-66.6	-175.3	67.6	97.5	-2.9	111.4	Y43 Y84 G85 R87 W98 E124 Q151 D155	Y43-R126 HydrophobicContact CE2-CG 4.3Å; Y43-R126 PolarHBondContact OH-NH1 2.82Å; Y84-R126 CarbonylContact C-O 3.45Å; Y84-R126 WeakPolarHBondContact CA-O 3.48Å; G85-R126 PolarHBondContact N-O 3.1Å; G85-R126 PolarHBondContact O-N 3.2Å; R87-R126 VanDerWaalsContact CZ-CD 3.47Å; W98-R126 HydrophobicContact CH2-CB 3.72Å; W98-R126 HydrophobicContact CH2-CG 4.42Å; W98-R126 HydrophobicContact CZ3-CB 4.06Å; E124-R126 HydrophobicContact CG-CG 3.98Å; E124-R126 VanDerWaalsContact OE1-CD 3.25Å; E124-R126 WeakPolarHBondContact OE1-CD 3.17Å; E124-R126 IonicContact OE1-CZ 2.85Å; E124-R126 IonicContact OE1-NE 3.96Å; E124-R126 IonicContact OE1-NH1 3.87Å; E124-R126 PolarHBondContact OE1-NH1 2.9Å; R126-Q151 VanDerWaalsContact CA-OE1 3.3Å; R126-D155 IonicContact CZ-OD1 2.73Å; R126-D155 IonicContact CZ-OD2 3.87Å; R126-D155 IonicContact NH1-OD1 3.59Å; R126-D155 PolarHBondContact NH1-OD1 3.28Å; R126-D155 IonicContact NH2-OD1 3.29Å; R126-D155 PolarHBondContact NH2-OD1 3.49Å; R126-D155 IonicContact NH2-OD2 3.02Å; R126-D155 PolarHBondContact NH2-OD2 3.47Å
127	I	98.7	Very high	92.8	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	129.1	163.5	-70.4	167.9	0	0	0	107.4	C83 Y84 L130 F138 T144 F147 F148 Q151	C83-I127 HydrophobicContact CB-CG2 4.27Å; C83-I127 WeakPolarHBondContact O-CA 3.39Å; Y84-I127 HydrophobicContact CD1-CG1 3.99Å; Y84-I127 HydrophobicContact CD2-CG1 4.31Å; Y84-I127 HydrophobicContact CE1-CD1 4.29Å; Y84-I127 HydrophobicContact CE1-CG1 3.77Å; Y84-I127 HydrophobicContact CE2-CD1 4.35Å; Y84-I127 HydrophobicContact CE2-CG1 4.07Å; Y84-I127 HydrophobicContact CG-CG1 4.27Å; I127-L130 HydrophobicContact CG2-CD2 3.65Å; I127-F138 HydrophobicContact CD1-CE2 4.45Å; I127-F138 HydrophobicContact CG2-CE2 4.49Å; I127-F138 HydrophobicContact CG2-CZ 4.34Å; I127-T144 HydrophobicContact CD1-CG2 3.62Å; I127-F147 HydrophobicContact CD1-CB 4.36Å; I127-F147 HydrophobicContact CD1-CD1 3.6Å; I127-F147 HydrophobicContact CD1-CE1 4.33Å; I127-F147 HydrophobicContact CD1-CG 4.31Å; I127-F147 HydrophobicContact CG1-CD1 3.78Å; I127-F147 HydrophobicContact CG1-CE1 3.99Å; I127-F148 HydrophobicContact CB-CD2 3.98Å; I127-F148 HydrophobicContact CD1-CB 3.77Å; I127-F148 HydrophobicContact CD1-CD2 4.13Å; I127-F148 HydrophobicContact CD1-CG 4.39Å; I127-F148 HydrophobicContact CG2-CD2 3.78Å; I127-F148 HydrophobicContact CG2-CE2 4.11Å; I127-Q151 PolarHBondContact O-NE2 3.38Å
128	R	98.4	Very high	93.5	Very high	10 Å²	10	37.2 Å²	37.2	4%	0.038	19%	0.189	C	C	.	.			trans	-127.8	-41.9	-177.7	-160.2	-172.7	-169	-160.3	-5.7	112.8	C83 W98 E257 N340 D343 L344	C83-R128 PolarHBondContact O-N 3.3Å; W98-R128 VanDerWaalsContact CG-CZ 3.42Å; W98-R128 VanDerWaalsContact CG-NH1 3.27Å; W98-R128 HydrophobicContact CH2-CB 3.83Å; W98-R128 HydrophobicContact CH2-CG 3.71Å; W98-R128 HydrophobicContact CZ2-CB 4.49Å; W98-R128 HydrophobicContact CZ2-CG 3.88Å; W98-R128 HydrophobicContact CZ3-CB 3.97Å; W98-R128 HydrophobicContact CZ3-CG 4.07Å; R128-E257 VanDerWaalsContact CG-OE1 3.25Å; R128-E257 WeakPolarHBondContact CG-OE1 3.48Å; R128-E257 IonicContact CZ-OE1 3.41Å; R128-E257 IonicContact CZ-OE2 3.75Å; R128-E257 IonicContact NE-OE1 2.82Å; R128-E257 PolarHBondContact NE-OE1 2.87Å; R128-E257 IonicContact NE-OE2 2.88Å; R128-E257 IonicContact NH2-OE1 3.24Å; R128-E257 PolarHBondContact NH2-OE1 2.71Å; R128-E257 IonicContact NH2-OE2 2.73Å; R128-E257 PolarHBondContact NH2-OE2 2.93Å; R128-N340 PolarHBondContact NH1-O 3.33Å; R128-N340 PolarHBondContact NH2-O 2.85Å; R128-D343 IonicContact CZ-OD2 3.28Å; R128-D343 IonicContact NH1-OD2 2.75Å; R128-D343 PolarHBondContact NH1-OD2 3.33Å; R128-L344 HydrophobicContact CG-CD1 3.85Å
129	Y	98.2	Very high	94.4	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.008	18%	0.178	C	C	.	.			trans	-99.9	106.9	-175.8	-30.2	-72.1	0	0	0	108.4	A82 C83 Y84 D343 L344	A82-Y129 WeakPolarHBondContact O-CD2 3.48Å; C83-Y129 VanDerWaalsContact CA-O 3.28Å; C83-Y129 WeakPolarHBondContact CA-O 3.32Å; C83-Y129 VanDerWaalsContact CB-O 3.25Å; C83-Y129 WeakPolarHBondContact CB-O 3.48Å; C83-Y129 PolarHBondContact O-N 2.91Å; C83-Y129 PolarHBondContact SG-O 2.99Å; Y84-Y129 WeakPolarHBondContact O-CE2 3.31Å; Y129-D343 WeakPolarHBondContact CE1-O 3.28Å; Y129-D343 PolarHBondContact OH-OD1 3.18Å; Y129-D343 PolarHBondContact OH-OD2 3.42Å; Y129-L344 HydrophobicContact CD1-CD1 4.35Å
130	L	98.4	Very high	95.1	Very high	7 Å²	7	36 Å²	36	4%	0.037	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-91.9	135.9	-176.9	-65.9	175.7	0	0	0	110.7	I127 F134 F138 F148 D255 P277 Y348	I127-L130 HydrophobicContact CG2-CD2 3.65Å; L130-F134 HydrophobicContact CB-CB 4.24Å; L130-F134 HydrophobicContact CB-CD1 4.07Å; L130-F134 HydrophobicContact CB-CG 4.21Å; L130-F134 HydrophobicContact CD1-CD1 4.06Å; L130-F134 HydrophobicContact CD1-CD2 4.45Å; L130-F134 HydrophobicContact CD1-CE1 4.04Å; L130-F134 HydrophobicContact CD1-CE2 4.43Å; L130-F134 HydrophobicContact CD1-CG 4.29Å; L130-F134 HydrophobicContact CD1-CZ 4.24Å; L130-F134 HydrophobicContact CD2-CB 4.26Å; L130-F134 HydrophobicContact CD2-CD2 4.18Å; L130-F134 HydrophobicContact CD2-CG 4.11Å; L130-F134 HydrophobicContact CG-CD1 4.49Å; L130-F134 HydrophobicContact CG-CG 4.44Å; L130-F138 HydrophobicContact CD2-CE2 3.86Å; L130-F138 HydrophobicContact CD2-CZ 3.92Å; L130-F148 HydrophobicContact CD1-CE2 4.4Å; L130-F148 HydrophobicContact CD1-CZ 4.02Å; L130-F148 HydrophobicContact CD2-CD2 4.3Å; L130-F148 HydrophobicContact CD2-CE2 3.77Å; L130-F148 HydrophobicContact CD2-CZ 3.93Å; L130-D255 HydrophobicContact CD1-CB 4.22Å; L130-P277 HydrophobicContact CB-CB 4.3Å; L130-P277 HydrophobicContact CB-CG 3.9Å; L130-P277 WeakPolarHBondContact O-CB 3.24Å; L130-Y348 VanDerWaalsContact O-CE1 3.27Å; L130-Y348 WeakPolarHBondContact O-CE1 3.31Å
131	P	97.1	Very high	95.6	Very high	14 Å²	14	35.1 Å²	35.1	9%	0.091	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-76.7	157.8	170.8	30.9	-33.5	0	0	0	110.5	G133 F134 Q137 F138 L351	P131-G133 PolarHBondContact O-N 2.86Å; P131-F134 HydrophobicContact CG-CB 4.02Å; P131-F134 WeakPolarHBondContact O-CA 3.45Å; P131-F134 VanDerWaalsContact O-CB 3.25Å; P131-F134 WeakPolarHBondContact O-CB 3.49Å; P131-F134 PolarHBondContact O-N 3.5Å; P131-Q137 HydrophobicContact CG-CB 4.46Å; P131-F138 HydrophobicContact CG-CE1 4.11Å; P131-L351 HydrophobicContact CB-CD2 4.24Å
132	K	94.8	Very high	95.9	Very high	145 Å²	145	40 Å²	40	63%	0.63	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	129.6	179	-166.6	165.5	-172.2	150.6	0	111	F134 Q137 E278	K132-F134 VanDerWaalsContact C-N 3.33Å; K132-Q137 PolarHBondContact O-NE2 2.83Å; K132-E278 WeakPolarHBondContact CE-OE2 3.37Å; K132-E278 WeakPolarHBondContact CG-OE1 3.48Å; K132-E278 IonicContact NZ-OE2 3.32Å
133	G	94.6	Very high	96.1	Very high	31 Å²	31	39.6 Å²	39.6	32%	0.32	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	32.3	-171.1	0	0	0	0	0	114.7	P131 L135 N136 E278	P131-G133 PolarHBondContact O-N 2.86Å; G133-L135 VanDerWaalsContact C-N 3.26Å; G133-L135 PolarHBondContact O-N 3.24Å; G133-N136 PolarHBondContact O-N 3.49Å; G133-E278 PolarHBondContact N-OE1 3.42Å
134	F	97.1	Very high	96.3	Very high	14 Å²	14	39 Å²	39	6%	0.061	20%	0.198	C	C	.	.	H	α-helix	trans	-42.5	-39.2	-173	57.9	-84	0	0	0	116.3	L130 P131 K132 N136 Q137 F138 F148 F254 D255 P277	L130-F134 HydrophobicContact CB-CB 4.24Å; L130-F134 HydrophobicContact CB-CD1 4.07Å; L130-F134 HydrophobicContact CB-CG 4.21Å; L130-F134 HydrophobicContact CD1-CD1 4.06Å; L130-F134 HydrophobicContact CD1-CD2 4.45Å; L130-F134 HydrophobicContact CD1-CE1 4.04Å; L130-F134 HydrophobicContact CD1-CE2 4.43Å; L130-F134 HydrophobicContact CD1-CG 4.29Å; L130-F134 HydrophobicContact CD1-CZ 4.24Å; L130-F134 HydrophobicContact CD2-CB 4.26Å; L130-F134 HydrophobicContact CD2-CD2 4.18Å; L130-F134 HydrophobicContact CD2-CG 4.11Å; L130-F134 HydrophobicContact CG-CD1 4.49Å; L130-F134 HydrophobicContact CG-CG 4.44Å; P131-F134 HydrophobicContact CG-CB 4.02Å; P131-F134 WeakPolarHBondContact O-CA 3.45Å; P131-F134 VanDerWaalsContact O-CB 3.25Å; P131-F134 WeakPolarHBondContact O-CB 3.49Å; P131-F134 PolarHBondContact O-N 3.5Å; K132-F134 VanDerWaalsContact C-N 3.33Å; F134-N136 PolarHBondContact O-N 2.89Å; F134-Q137 PolarHBondContact O-N 3.05Å; F134-F138 HydrophobicContact CB-CD2 4.46Å; F134-F138 HydrophobicContact CB-CE2 4.14Å; F134-F138 HydrophobicContact CB-CZ 4.17Å; F134-F138 HydrophobicContact CD2-CD2 4.33Å; F134-F138 HydrophobicContact CD2-CE2 4.2Å; F134-F138 WeakPolarHBondContact O-CB 3.46Å; F134-F138 VanDerWaalsContact O-CG 3.31Å; F134-F138 WeakPolarHBondContact O-CG 3.27Å; F134-F138 PolarHBondContact O-N 2.83Å; F134-F148 HydrophobicContact CD2-CD1 4.47Å; F134-F148 HydrophobicContact CD2-CE1 4.03Å; F134-F148 HydrophobicContact CE2-CD1 4.35Å; F134-F148 AromaticContact CE2-CE1 3.58Å; F134-F148 HydrophobicContact CE2-CE1 3.58Å; F134-F148 HydrophobicContact CE2-CZ 4.18Å; F134-F254 HydrophobicContact CE2-CE2 4.23Å; F134-F254 HydrophobicContact CZ-CE2 4.07Å; F134-D255 HydrophobicContact CE1-CB 3.93Å; F134-D255 HydrophobicContact CZ-CB 3.94Å; F134-P277 HydrophobicContact CD1-CG 4.25Å; F134-P277 HydrophobicContact CE1-CG 4.41Å
135	L	96.3	Very high	96.4	Very high	44 Å²	44	39 Å²	39	23%	0.23	20%	0.197	C	C	.	.	H	α-helix	trans	-57.4	-38.1	179.6	-67.9	-179.1	0	0	0	112.6	G133 T139 L242 F245	G133-L135 VanDerWaalsContact C-N 3.26Å; G133-L135 PolarHBondContact O-N 3.24Å; L135-T139 WeakPolarHBondContact O-CG2 3.38Å; L135-T139 PolarHBondContact O-N 2.73Å; L135-T139 PolarHBondContact O-OG1 2.87Å; L135-L242 HydrophobicContact CB-CD2 4.37Å; L135-F245 HydrophobicContact CD1-CB 4.14Å; L135-F245 HydrophobicContact CD2-CB 4.48Å; L135-F245 HydrophobicContact CD2-CD2 3.47Å; L135-F245 VanDerWaalsContact CD2-CD2 3.47Å; L135-F245 HydrophobicContact CD2-CE2 3.72Å; L135-F245 HydrophobicContact CD2-CG 4.03Å; L135-F245 HydrophobicContact CD2-CZ 4.46Å
136	N	94.9	Very high	96.3	Very high	125 Å²	125	40.9 Å²	40.9	67%	0.668	21%	0.208	S	C	*	.	H	α-helix	trans	-74.7	-25.2	178.6	-66.8	-18.8	0	0	0	112.7	G133 F134 T139	G133-N136 PolarHBondContact O-N 3.49Å; F134-N136 PolarHBondContact O-N 2.89Å; N136-T139 PolarHBondContact O-OG1 3.49Å
137	Q	95.8	Very high	96.3	Very high	69 Å²	69	40.3 Å²	40.3	32%	0.322	21%	0.206	S	C	.	.	H	α-helix	trans	-82.2	-37.7	175.9	-54.5	-167.4	24.8	0	0	110.6	H80 P131 K132 F134 E140	H80-Q137 PolarHBondContact CE1-O 2.79Å; H80-Q137 VanDerWaalsContact CE1-O 3.24Å; P131-Q137 HydrophobicContact CG-CB 4.46Å; K132-Q137 PolarHBondContact O-NE2 2.83Å; F134-Q137 PolarHBondContact O-N 3.05Å; Q137-E140 PolarHBondContact O-N 2.83Å
138	F	97.4	Very high	96.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-72.6	-26.7	179.8	-66.2	-5.5	0	0	0	112.8	H80 C83 I127 L130 P131 F134 E140 D141 T144 L145 F148	H80-F138 HydrophobicContact CB-CE1 4.27Å; C83-F138 HydrophobicContact CB-CZ 4.47Å; I127-F138 HydrophobicContact CD1-CE2 4.45Å; I127-F138 HydrophobicContact CG2-CE2 4.49Å; I127-F138 HydrophobicContact CG2-CZ 4.34Å; L130-F138 HydrophobicContact CD2-CE2 3.86Å; L130-F138 HydrophobicContact CD2-CZ 3.92Å; P131-F138 HydrophobicContact CG-CE1 4.11Å; F134-F138 HydrophobicContact CB-CD2 4.46Å; F134-F138 HydrophobicContact CB-CE2 4.14Å; F134-F138 HydrophobicContact CB-CZ 4.17Å; F134-F138 HydrophobicContact CD2-CD2 4.33Å; F134-F138 HydrophobicContact CD2-CE2 4.2Å; F134-F138 WeakPolarHBondContact O-CB 3.46Å; F134-F138 VanDerWaalsContact O-CG 3.31Å; F134-F138 WeakPolarHBondContact O-CG 3.27Å; F134-F138 PolarHBondContact O-N 2.83Å; F138-E140 PolarHBondContact O-N 3.33Å; F138-D141 CarbonylContact O-C 3.54Å; F138-D141 WeakPolarHBondContact O-CA 3.35Å; F138-D141 PolarHBondContact O-N 3.28Å; F138-T144 HydrophobicContact CD1-CG2 3.64Å; F138-T144 HydrophobicContact CD2-CG2 4.15Å; F138-T144 HydrophobicContact CE1-CG2 3.61Å; F138-T144 HydrophobicContact CE2-CG2 4.12Å; F138-T144 HydrophobicContact CG-CG2 3.93Å; F138-T144 HydrophobicContact CZ-CG2 3.85Å; F138-L145 HydrophobicContact CB-CB 3.99Å; F138-L145 HydrophobicContact CB-CD1 4.09Å; F138-L145 WeakPolarHBondContact O-CB 3.4Å; F138-F148 HydrophobicContact CD2-CB 4.18Å; F138-F148 HydrophobicContact CD2-CD1 4.33Å; F138-F148 HydrophobicContact CD2-CG 4.3Å; F138-F148 HydrophobicContact CE2-CB 4.14Å; F138-F148 HydrophobicContact CE2-CD1 4.23Å; F138-F148 HydrophobicContact CE2-CD2 4.4Å; F138-F148 AromaticContact CE2-CG 3.99Å; F138-F148 HydrophobicContact CE2-CG 3.99Å
139	T	95	Very high	96.3	Very high	30 Å²	30	39.7 Å²	39.7	18%	0.184	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-31.1	170.7	45.2	0	0	0	0	112.8	L135 N136 D141 L145 E238 L242	L135-T139 WeakPolarHBondContact O-CG2 3.38Å; L135-T139 PolarHBondContact O-N 2.73Å; L135-T139 PolarHBondContact O-OG1 2.87Å; N136-T139 PolarHBondContact O-OG1 3.49Å; T139-D141 VanDerWaalsContact C-N 3.26Å; T139-D141 PolarHBondContact O-N 2.88Å; T139-L145 HydrophobicContact CG2-CD2 4.05Å; T139-E238 HydrophobicContact CG2-CG 4.35Å; T139-L242 HydrophobicContact CG2-CD1 4.06Å; T139-L242 HydrophobicContact CG2-CD2 4.1Å
140	E	94.1	Very high	96.2	Very high	145 Å²	145	39.9 Å²	39.9	68%	0.678	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-13.3	171.3	-57.3	-167.7	178.6	0	0	113.4	K79 Q137 F138	K79-E140 PolarHBondContact NZ-O 2.88Å; Q137-E140 PolarHBondContact O-N 2.83Å; F138-E140 PolarHBondContact O-N 3.33Å
141	D	95.9	Very high	96.1	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.016	21%	0.205	C	C	.	.	S	Bend	trans	-129.6	70.5	-176.2	-171.8	17.1	0	0	0	111.2	K79 H80 F138 T139 P143 T144 L145	K79-D141 HydrophobicContact CB-CB 4.23Å; K79-D141 WeakPolarHBondContact CB-OD2 3.16Å; K79-D141 HydrophobicContact CD-CB 4.13Å; K79-D141 HydrophobicContact CG-CB 4.4Å; K79-D141 PolarHBondContact N-OD1 2.85Å; K79-D141 VanDerWaalsContact N-OD1 3.13Å; K79-D141 PolarHBondContact N-OD2 2.99Å; H80-D141 IonicContact CE1-OD2 3.54Å; H80-D141 IonicContact CG-OD2 3.84Å; H80-D141 PolarHBondContact N-OD2 2.85Å; H80-D141 WeakPolarHBondContact ND1-CB 3.4Å; H80-D141 IonicContact ND1-OD2 3.01Å; H80-D141 PolarHBondContact ND1-OD2 2.87Å; F138-D141 CarbonylContact O-C 3.54Å; F138-D141 WeakPolarHBondContact O-CA 3.35Å; F138-D141 PolarHBondContact O-N 3.28Å; T139-D141 VanDerWaalsContact C-N 3.26Å; T139-D141 PolarHBondContact O-N 2.88Å; D141-P143 VanDerWaalsContact C-N 3.33Å; D141-P143 VanDerWaalsContact O-N 3.16Å; D141-T144 WeakPolarHBondContact O-CA 3.33Å; D141-T144 WeakPolarHBondContact O-CB 3.19Å; D141-T144 PolarHBondContact O-N 3.32Å; D141-T144 WeakPolarHBondContact OD2-CB 3.44Å; D141-T144 PolarHBondContact OD2-OG1 3.37Å; D141-L145 PolarHBondContact O-N 2.92Å
142	K	92.3	Very high	96.2	Very high	119 Å²	119	39.5 Å²	39.5	52%	0.517	20%	0.201	S	C	.	.	H	α-helix	trans	-52.3	-36.5	-171.4	-57.6	-167.6	-175.8	-147.2	0	115.3	L145 N146 E238	K142-L145 PolarHBondContact O-N 3.33Å; K142-N146 PolarHBondContact O-N 2.9Å; K142-N146 VanDerWaalsContact O-N 3.08Å; K142-N146 PolarHBondContact O-ND2 2.8Å; K142-E238 VanDerWaalsContact CE-OE2 3.3Å; K142-E238 WeakPolarHBondContact CE-OE2 3.35Å; K142-E238 IonicContact NZ-OE2 3.41Å; K142-E238 PolarHBondContact NZ-OE2 2.81Å
143	P	93.8	Very high	96.3	Very high	41 Å²	41	33.9 Å²	33.9	27%	0.266	18%	0.177	S	C	.	.	H	α-helix	trans	-55.1	-50.1	171	-26.2	35.8	0	0	0	112.3	F44 H76 V78 D141 N146 F147	F44-P143 HydrophobicContact CE1-CB 4.38Å; H76-P143 WeakPolarHBondContact O-CG 3.45Å; V78-P143 HydrophobicContact CG2-CB 4.04Å; D141-P143 VanDerWaalsContact C-N 3.33Å; D141-P143 VanDerWaalsContact O-N 3.16Å; P143-N146 PolarHBondContact O-N 2.92Å; P143-F147 WeakPolarHBondContact O-CB 3.48Å; P143-F147 PolarHBondContact O-N 3.3Å
144	T	97.3	Very high	96.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.8	-42	179.7	-53.9	0	0	0	0	112.2	H80 Y84 I127 F138 D141 N146 F147 F148	H80-T144 HydrophobicContact CB-CG2 4.35Å; Y84-T144 HydrophobicContact CE2-CG2 4.24Å; I127-T144 HydrophobicContact CD1-CG2 3.62Å; F138-T144 HydrophobicContact CD1-CG2 3.64Å; F138-T144 HydrophobicContact CD2-CG2 4.15Å; F138-T144 HydrophobicContact CE1-CG2 3.61Å; F138-T144 HydrophobicContact CE2-CG2 4.12Å; F138-T144 HydrophobicContact CG-CG2 3.93Å; F138-T144 HydrophobicContact CZ-CG2 3.85Å; D141-T144 WeakPolarHBondContact O-CA 3.33Å; D141-T144 WeakPolarHBondContact O-CB 3.19Å; D141-T144 PolarHBondContact O-N 3.32Å; D141-T144 WeakPolarHBondContact OD2-CB 3.44Å; D141-T144 PolarHBondContact OD2-OG1 3.37Å; T144-N146 PolarHBondContact O-N 2.88Å; T144-F147 PolarHBondContact O-N 3.1Å; T144-F148 WeakPolarHBondContact O-CB 3.2Å; T144-F148 PolarHBondContact O-N 3.02Å
145	L	97.9	Very high	96	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-60.5	-43.7	174.9	-178.4	63.4	0	0	0	112.6	F138 T139 D141 K142 Y149 E238 I241 F245	F138-L145 HydrophobicContact CB-CB 3.99Å; F138-L145 HydrophobicContact CB-CD1 4.09Å; F138-L145 WeakPolarHBondContact O-CB 3.4Å; T139-L145 HydrophobicContact CG2-CD2 4.05Å; D141-L145 PolarHBondContact O-N 2.92Å; K142-L145 PolarHBondContact O-N 3.33Å; L145-Y149 VanDerWaalsContact O-CB 3.28Å; L145-Y149 WeakPolarHBondContact O-CB 3.37Å; L145-Y149 PolarHBondContact O-N 2.82Å; L145-E238 HydrophobicContact CD2-CG 3.95Å; L145-I241 HydrophobicContact CD1-CG2 3.78Å; L145-I241 HydrophobicContact CD2-CG2 4.34Å; L145-I241 HydrophobicContact CG-CG2 3.94Å; L145-F245 HydrophobicContact CD1-CE2 4.18Å
146	N	95.9	Very high	95.9	Very high	40 Å²	40	31.9 Å²	31.9	21%	0.214	16%	0.162	C	C	.	.	H	α-helix	trans	-71.2	-37.1	179.4	-77.4	-93.1	0	0	0	111.5	K142 P143 T144 Q150	K142-N146 PolarHBondContact O-N 2.9Å; K142-N146 VanDerWaalsContact O-N 3.08Å; K142-N146 PolarHBondContact O-ND2 2.8Å; P143-N146 PolarHBondContact O-N 2.92Å; T144-N146 PolarHBondContact O-N 2.88Å; N146-Q150 WeakPolarHBondContact O-CG 3.45Å; N146-Q150 PolarHBondContact O-N 3.49Å
147	F	98	Very high	95.6	Very high	1 Å²	1	28.3 Å²	28.3	0%	0.004	14%	0.141	C	C	.	.	H	α-helix	trans	-60.6	-52.5	173.3	-171.7	-73.8	0	0	0	111	H42 Y43 F44 Y84 L125 I127 P143 T144 Y149 Q150 Q151	H42-F147 HydrophobicContact CB-CE2 4.05Å; Y43-F147 WeakPolarHBondContact CB-O 3.48Å; Y43-F147 HydrophobicContact CD2-CE1 4.04Å; Y43-F147 HydrophobicContact CD2-CZ 4.14Å; Y43-F147 HydrophobicContact CG-CE1 4.46Å; Y43-F147 VanDerWaalsContact N-CE2 3.26Å; F44-F147 HydrophobicContact CD1-CB 4.49Å; F44-F147 AromaticContact CD1-CD2 3.73Å; F44-F147 HydrophobicContact CD1-CD2 3.73Å; F44-F147 AromaticContact CD2-CD2 3.69Å; F44-F147 HydrophobicContact CD2-CD2 3.69Å; F44-F147 AromaticContact CD2-CE2 3.7Å; F44-F147 HydrophobicContact CD2-CE2 3.7Å; F44-F147 HydrophobicContact CE1-CB 4.31Å; F44-F147 AromaticContact CE1-CD2 3.63Å; F44-F147 HydrophobicContact CE1-CD2 3.63Å; F44-F147 HydrophobicContact CE1-CE2 4.42Å; F44-F147 HydrophobicContact CE1-CG 4.38Å; F44-F147 AromaticContact CE2-CD2 3.59Å; F44-F147 HydrophobicContact CE2-CD2 3.59Å; F44-F147 AromaticContact CE2-CE2 3.53Å; F44-F147 HydrophobicContact CE2-CE2 3.53Å; F44-F147 AromaticContact CG-CD2 3.75Å; F44-F147 HydrophobicContact CG-CD2 3.75Å; F44-F147 HydrophobicContact CG-CE2 4.21Å; F44-F147 AromaticContact CZ-CD2 3.55Å; F44-F147 HydrophobicContact CZ-CD2 3.55Å; F44-F147 AromaticContact CZ-CE2 3.92Å; F44-F147 HydrophobicContact CZ-CE2 3.92Å; F44-F147 HydrophobicContact CZ-CG 4.49Å; Y84-F147 HydrophobicContact CD1-CE1 4.27Å; Y84-F147 HydrophobicContact CD1-CZ 4.14Å; Y84-F147 AromaticContact CE1-CD1 3.83Å; Y84-F147 HydrophobicContact CE1-CD1 3.83Å; Y84-F147 AromaticContact CE1-CD2 3.87Å; Y84-F147 HydrophobicContact CE1-CD2 3.87Å; Y84-F147 AromaticContact CE1-CE1 3.71Å; Y84-F147 HydrophobicContact CE1-CE1 3.71Å; Y84-F147 AromaticContact CE1-CE2 3.71Å; Y84-F147 HydrophobicContact CE1-CE2 3.71Å; Y84-F147 AromaticContact CE1-CG 3.92Å; Y84-F147 HydrophobicContact CE1-CG 3.92Å; Y84-F147 AromaticContact CE1-CZ 3.64Å; Y84-F147 HydrophobicContact CE1-CZ 3.64Å; L125-F147 HydrophobicContact CD2-CE2 4.16Å; L125-F147 HydrophobicContact CD2-CZ 4.3Å; L125-F147 HydrophobicContact CG-CE2 4.45Å; L125-F147 HydrophobicContact CG-CZ 4.09Å; L125-F147 WeakPolarHBondContact O-CZ 3.34Å; I127-F147 HydrophobicContact CD1-CB 4.36Å; I127-F147 HydrophobicContact CD1-CD1 3.6Å; I127-F147 HydrophobicContact CD1-CE1 4.33Å; I127-F147 HydrophobicContact CD1-CG 4.31Å; I127-F147 HydrophobicContact CG1-CD1 3.78Å; I127-F147 HydrophobicContact CG1-CE1 3.99Å; P143-F147 WeakPolarHBondContact O-CB 3.48Å; P143-F147 PolarHBondContact O-N 3.3Å; T144-F147 PolarHBondContact O-N 3.1Å; F147-Y149 VanDerWaalsContact C-N 3.3Å; F147-Y149 PolarHBondContact O-N 3.02Å; F147-Q150 PolarHBondContact O-N 2.86Å; F147-Q151 WeakPolarHBondContact O-CB 3.17Å; F147-Q151 PolarHBondContact O-N 3.14Å
148	F	98.6	Very high	95.1	Very high	3 Å²	3	31.6 Å²	31.6	1%	0.013	16%	0.16	C	C	.	.	H	α-helix	trans	-60.7	-41.2	179.8	-167.8	-116.8	0	0	0	111.7	I127 L130 F134 F138 T144 Q151 V152 F245 F254	I127-F148 HydrophobicContact CB-CD2 3.98Å; I127-F148 HydrophobicContact CD1-CB 3.77Å; I127-F148 HydrophobicContact CD1-CD2 4.13Å; I127-F148 HydrophobicContact CD1-CG 4.39Å; I127-F148 HydrophobicContact CG2-CD2 3.78Å; I127-F148 HydrophobicContact CG2-CE2 4.11Å; L130-F148 HydrophobicContact CD1-CE2 4.4Å; L130-F148 HydrophobicContact CD1-CZ 4.02Å; L130-F148 HydrophobicContact CD2-CD2 4.3Å; L130-F148 HydrophobicContact CD2-CE2 3.77Å; L130-F148 HydrophobicContact CD2-CZ 3.93Å; F134-F148 HydrophobicContact CD2-CD1 4.47Å; F134-F148 HydrophobicContact CD2-CE1 4.03Å; F134-F148 HydrophobicContact CE2-CD1 4.35Å; F134-F148 AromaticContact CE2-CE1 3.58Å; F134-F148 HydrophobicContact CE2-CE1 3.58Å; F134-F148 HydrophobicContact CE2-CZ 4.18Å; F138-F148 HydrophobicContact CD2-CB 4.18Å; F138-F148 HydrophobicContact CD2-CD1 4.33Å; F138-F148 HydrophobicContact CD2-CG 4.3Å; F138-F148 HydrophobicContact CE2-CB 4.14Å; F138-F148 HydrophobicContact CE2-CD1 4.23Å; F138-F148 HydrophobicContact CE2-CD2 4.4Å; F138-F148 AromaticContact CE2-CG 3.99Å; F138-F148 HydrophobicContact CE2-CG 3.99Å; T144-F148 WeakPolarHBondContact O-CB 3.2Å; T144-F148 PolarHBondContact O-N 3.02Å; F148-Q151 PolarHBondContact O-N 2.8Å; F148-V152 HydrophobicContact CD1-CG2 4.29Å; F148-V152 HydrophobicContact CD2-CG2 4.23Å; F148-V152 HydrophobicContact CE1-CG2 3.85Å; F148-V152 HydrophobicContact CE2-CG2 3.81Å; F148-V152 HydrophobicContact CG-CG2 4.45Å; F148-V152 HydrophobicContact CZ-CG2 3.6Å; F148-V152 WeakPolarHBondContact O-CG2 3.43Å; F148-V152 PolarHBondContact O-N 3.02Å; F148-F245 AromaticContact CD1-CE1 3.86Å; F148-F245 HydrophobicContact CD1-CE1 3.86Å; F148-F245 HydrophobicContact CD1-CE2 4.24Å; F148-F245 AromaticContact CD1-CZ 3.44Å; F148-F245 HydrophobicContact CD1-CZ 3.44Å; F148-F245 VanDerWaalsContact CD1-CZ 3.44Å; F148-F245 AromaticContact CE1-CE1 3.85Å; F148-F245 HydrophobicContact CE1-CE1 3.85Å; F148-F245 AromaticContact CE1-CZ 3.91Å; F148-F245 HydrophobicContact CE1-CZ 3.91Å; F148-F245 HydrophobicContact CG-CZ 4.39Å; F148-F254 AromaticContact CE1-CD2 3.97Å; F148-F254 HydrophobicContact CE1-CD2 3.97Å; F148-F254 HydrophobicContact CE1-CE2 4.12Å; F148-F254 AromaticContact CZ-CD2 3.91Å; F148-F254 HydrophobicContact CZ-CD2 3.91Å; F148-F254 HydrophobicContact CZ-CE2 4.47Å
149	Y	98.4	Very high	94.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.1	-49.2	173.4	174.5	-95.3	0	0	0	112.7	L145 F147 Q151 K153 E176 I241 F244 F245	L145-Y149 VanDerWaalsContact O-CB 3.28Å; L145-Y149 WeakPolarHBondContact O-CB 3.37Å; L145-Y149 PolarHBondContact O-N 2.82Å; F147-Y149 VanDerWaalsContact C-N 3.3Å; F147-Y149 PolarHBondContact O-N 3.02Å; Y149-Q151 VanDerWaalsContact C-N 3.34Å; Y149-Q151 PolarHBondContact O-N 3.29Å; Y149-K153 HydrophobicContact CE1-CB 4.49Å; Y149-K153 HydrophobicContact CE1-CD 3.93Å; Y149-K153 WeakPolarHBondContact O-CB 3.35Å; Y149-K153 PolarHBondContact O-N 2.89Å; Y149-E176 VanDerWaalsContact CE1-OE2 3.25Å; Y149-E176 WeakPolarHBondContact CE1-OE2 3.46Å; Y149-E176 PolarHBondContact OH-OE2 2.67Å; Y149-I241 HydrophobicContact CD1-CG1 4.27Å; Y149-I241 HydrophobicContact CD2-CB 4.04Å; Y149-I241 HydrophobicContact CD2-CG1 3.74Å; Y149-I241 HydrophobicContact CD2-CG2 3.75Å; Y149-I241 HydrophobicContact CE2-CG1 4.16Å; Y149-I241 HydrophobicContact CG-CB 4.43Å; Y149-I241 HydrophobicContact CG-CD1 4.3Å; Y149-I241 HydrophobicContact CG-CG1 3.78Å; Y149-I241 HydrophobicContact CG-CG2 4.08Å; Y149-F244 HydrophobicContact CD2-CD1 4.07Å; Y149-F244 HydrophobicContact CD2-CG 4.34Å; Y149-F244 HydrophobicContact CE2-CB 3.78Å; Y149-F244 AromaticContact CE2-CD1 3.6Å; Y149-F244 HydrophobicContact CE2-CD1 3.6Å; Y149-F244 AromaticContact CE2-CD2 3.85Å; Y149-F244 HydrophobicContact CE2-CD2 3.85Å; Y149-F244 HydrophobicContact CE2-CE1 4.07Å; Y149-F244 HydrophobicContact CE2-CE2 4.29Å; Y149-F244 AromaticContact CE2-CG 3.49Å; Y149-F244 HydrophobicContact CE2-CG 3.49Å; Y149-F244 VanDerWaalsContact CE2-CG 3.49Å; Y149-F244 HydrophobicContact CE2-CZ 4.41Å; Y149-F245 HydrophobicContact CD2-CZ 4.42Å
150	Q	96.4	Very high	94.7	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.028	18%	0.182	C	C	.	.	H	α-helix	trans	-67.2	-36.6	-178.9	-70.4	-67.4	-0.1	0	0	112	Y43 E45 W53 N146 F147 S154	Y43-Q150 HydrophobicContact CD1-CB 3.98Å; Y43-Q150 HydrophobicContact CG-CB 4.41Å; E45-Q150 PolarHBondContact OE1-NE2 2.94Å; W53-Q150 HydrophobicContact CH2-CG 4.22Å; W53-Q150 HydrophobicContact CZ3-CB 4.11Å; W53-Q150 HydrophobicContact CZ3-CG 3.81Å; N146-Q150 WeakPolarHBondContact O-CG 3.45Å; N146-Q150 PolarHBondContact O-N 3.49Å; F147-Q150 PolarHBondContact O-N 2.86Å; Q150-S154 WeakPolarHBondContact O-CB 3.45Å; Q150-S154 PolarHBondContact O-N 2.66Å
151	Q	97.5	Very high	94.6	Very high	11 Å²	11	29.8 Å²	29.8	5%	0.051	15%	0.151	C	C	.	.	H	α-helix	trans	-59.6	-61	172.6	-177.6	179.2	-57.7	0	0	111	Y43 R126 I127 F147 F148 Y149 K153 S154 D155	Y43-Q151 HydrophobicContact CD1-CB 4.35Å; Y43-Q151 HydrophobicContact CD2-CB 3.63Å; Y43-Q151 HydrophobicContact CD2-CG 3.93Å; Y43-Q151 HydrophobicContact CE2-CB 3.93Å; Y43-Q151 HydrophobicContact CE2-CG 3.8Å; Y43-Q151 HydrophobicContact CG-CB 3.85Å; R126-Q151 VanDerWaalsContact CA-OE1 3.3Å; I127-Q151 PolarHBondContact O-NE2 3.38Å; F147-Q151 WeakPolarHBondContact O-CB 3.17Å; F147-Q151 PolarHBondContact O-N 3.14Å; F148-Q151 PolarHBondContact O-N 2.8Å; Y149-Q151 VanDerWaalsContact C-N 3.34Å; Y149-Q151 PolarHBondContact O-N 3.29Å; Q151-K153 VanDerWaalsContact C-N 3.28Å; Q151-K153 PolarHBondContact O-N 2.85Å; Q151-S154 WeakPolarHBondContact O-CA 3.43Å; Q151-S154 WeakPolarHBondContact O-CB 3.49Å; Q151-S154 PolarHBondContact O-N 3.47Å; Q151-D155 VanDerWaalsContact O-CG 3.25Å; Q151-D155 PolarHBondContact O-N 3.06Å
152	V	98.3	Very high	94.3	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.012	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-35.4	-177.4	174	0	0	0	0	111.9	F148 S154 D155 Y156 F245 L248 F254	F148-V152 HydrophobicContact CD1-CG2 4.29Å; F148-V152 HydrophobicContact CD2-CG2 4.23Å; F148-V152 HydrophobicContact CE1-CG2 3.85Å; F148-V152 HydrophobicContact CE2-CG2 3.81Å; F148-V152 HydrophobicContact CG-CG2 4.45Å; F148-V152 HydrophobicContact CZ-CG2 3.6Å; F148-V152 WeakPolarHBondContact O-CG2 3.43Å; F148-V152 PolarHBondContact O-N 3.02Å; V152-S154 VanDerWaalsContact C-N 3.33Å; V152-D155 PolarHBondContact O-N 3.2Å; V152-Y156 VanDerWaalsContact O-CB 3.25Å; V152-Y156 WeakPolarHBondContact O-CB 3.39Å; V152-Y156 PolarHBondContact O-N 3.19Å; V152-F245 HydrophobicContact CB-CE1 3.93Å; V152-F245 HydrophobicContact CG1-CD1 4.43Å; V152-F245 HydrophobicContact CG1-CE1 3.99Å; V152-F245 HydrophobicContact CG2-CE1 4.08Å; V152-L248 HydrophobicContact CG1-CD2 3.56Å; V152-F254 HydrophobicContact CB-CB 4.44Å; V152-F254 HydrophobicContact CG1-CB 3.68Å; V152-F254 HydrophobicContact CG1-CD1 3.75Å; V152-F254 HydrophobicContact CG1-CD2 4.25Å; V152-F254 HydrophobicContact CG1-CE1 4.47Å; V152-F254 HydrophobicContact CG1-CG 3.62Å; V152-F254 HydrophobicContact CG2-CB 3.89Å; V152-F254 HydrophobicContact CG2-CD2 4.13Å; V152-F254 HydrophobicContact CG2-CG 4.1Å
153	K	96.4	Very high	94.3	Very high	27 Å²	27	35.6 Å²	35.6	12%	0.117	18%	0.182	C	C	.	.	H	α-helix	trans	-65.4	-35.6	172.2	-171.2	-167.5	62.3	57.2	0	111.9	Y149 Q151 M157 E176 F244	Y149-K153 HydrophobicContact CE1-CB 4.49Å; Y149-K153 HydrophobicContact CE1-CD 3.93Å; Y149-K153 WeakPolarHBondContact O-CB 3.35Å; Y149-K153 PolarHBondContact O-N 2.89Å; Q151-K153 VanDerWaalsContact C-N 3.28Å; Q151-K153 PolarHBondContact O-N 2.85Å; K153-M157 WeakPolarHBondContact O-CB 3.31Å; K153-M157 WeakPolarHBondContact O-CG 3.34Å; K153-M157 PolarHBondContact O-N 2.97Å; K153-M157 VanDerWaalsContact O-N 3.12Å; K153-E176 HydrophobicContact CD-CB 4.38Å; K153-E176 HydrophobicContact CD-CG 4.16Å; K153-F244 HydrophobicContact CB-CE1 4.34Å; K153-F244 HydrophobicContact CB-CZ 3.92Å; K153-F244 HydrophobicContact CG-CE2 4.2Å; K153-F244 HydrophobicContact CG-CZ 3.85Å
154	S	91.2	Very high	94.4	Very high	30 Å²	30	34.9 Å²	34.9	21%	0.21	18%	0.177	C	C	.	.	H	α-helix	trans	-65.5	-48.7	175.3	-172	0	0	0	0	110.8	Y43 Q150 Q151 V152 M157 L158	Y43-S154 VanDerWaalsContact CE1-CB 3.5Å; Y43-S154 PolarHBondContact OH-OG 3.46Å; Q150-S154 WeakPolarHBondContact O-CB 3.45Å; Q150-S154 PolarHBondContact O-N 2.66Å; Q151-S154 WeakPolarHBondContact O-CA 3.43Å; Q151-S154 WeakPolarHBondContact O-CB 3.49Å; Q151-S154 PolarHBondContact O-N 3.47Å; V152-S154 VanDerWaalsContact C-N 3.33Å; S154-M157 PolarHBondContact O-N 3.13Å; S154-L158 WeakPolarHBondContact O-CG 3.39Å; S154-L158 PolarHBondContact O-N 3.48Å; S154-L158 VanDerWaalsContact O-N 3.12Å
155	D	93.7	Very high	94.4	Very high	13 Å²	13	40.4 Å²	40.4	7%	0.07	21%	0.207	C	C	.	.	H	α-helix	trans	-64.9	-45.5	-178.8	-48.7	-35.3	0	0	0	110.5	R126 Q151 V152 M157 L158 E159 Y252	R126-D155 IonicContact CZ-OD1 2.73Å; R126-D155 IonicContact CZ-OD2 3.87Å; R126-D155 IonicContact NH1-OD1 3.59Å; R126-D155 PolarHBondContact NH1-OD1 3.28Å; R126-D155 IonicContact NH2-OD1 3.29Å; R126-D155 PolarHBondContact NH2-OD1 3.49Å; R126-D155 IonicContact NH2-OD2 3.02Å; R126-D155 PolarHBondContact NH2-OD2 3.47Å; Q151-D155 VanDerWaalsContact O-CG 3.25Å; Q151-D155 PolarHBondContact O-N 3.06Å; V152-D155 PolarHBondContact O-N 3.2Å; D155-M157 VanDerWaalsContact C-N 3.34Å; D155-M157 PolarHBondContact O-N 2.92Å; D155-L158 PolarHBondContact O-N 3.49Å; D155-L158 VanDerWaalsContact O-N 3.09Å; D155-E159 WeakPolarHBondContact O-CB 3.44Å; D155-E159 PolarHBondContact O-N 3.27Å; D155-Y252 HydrophobicContact CB-CE1 4.37Å; D155-Y252 WeakPolarHBondContact CB-OH 3.33Å
156	Y	95.9	Very high	94.3	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.016	23%	0.227	C	C	.	.	H	α-helix	trans	-49.9	-50.8	170.5	161.9	-104.8	0	0	0	112.5	V152 L158 I160 A161 V164 L172 F244 L248	V152-Y156 VanDerWaalsContact O-CB 3.25Å; V152-Y156 WeakPolarHBondContact O-CB 3.39Å; V152-Y156 PolarHBondContact O-N 3.19Å; Y156-L158 VanDerWaalsContact C-N 3.26Å; Y156-L158 PolarHBondContact O-N 3.27Å; Y156-I160 HydrophobicContact CD2-CD1 3.9Å; Y156-I160 HydrophobicContact CD2-CG1 3.78Å; Y156-I160 HydrophobicContact CE2-CD1 4.42Å; Y156-I160 HydrophobicContact CE2-CG1 4.34Å; Y156-I160 PolarHBondContact O-N 3.25Å; Y156-A161 HydrophobicContact CD1-CB 4.18Å; Y156-A161 HydrophobicContact CD2-CB 4.27Å; Y156-A161 HydrophobicContact CE1-CB 3.7Å; Y156-A161 HydrophobicContact CE2-CB 3.8Å; Y156-A161 HydrophobicContact CG-CB 4.44Å; Y156-A161 VanDerWaalsContact CZ-CB 3.47Å; Y156-A161 VanDerWaalsContact O-CB 3.26Å; Y156-A161 WeakPolarHBondContact O-CB 3.27Å; Y156-A161 PolarHBondContact O-N 3.41Å; Y156-V164 HydrophobicContact CE2-CG1 4.39Å; Y156-V164 HydrophobicContact CE2-CG2 4Å; Y156-L172 HydrophobicContact CD2-CD1 4.21Å; Y156-L172 HydrophobicContact CE1-CD1 4.09Å; Y156-L172 HydrophobicContact CE2-CD1 3.64Å; Y156-F244 HydrophobicContact CD1-CZ 4.38Å; Y156-L248 HydrophobicContact CD2-CD1 3.58Å; Y156-L248 HydrophobicContact CE2-CD1 4.19Å; Y156-L248 HydrophobicContact CG-CD1 4.21Å
157	M	87.8	Confident	94.3	Very high	49 Å²	49	48.5 Å²	48.5	24%	0.241	24%	0.243	C	C	.	.	H	α-helix	trans	-67.2	-23.1	-178.1	-75.4	-62.5	-61.4	0	0	113.8	K153 S154 D155 A161	K153-M157 WeakPolarHBondContact O-CB 3.31Å; K153-M157 WeakPolarHBondContact O-CG 3.34Å; K153-M157 PolarHBondContact O-N 2.97Å; K153-M157 VanDerWaalsContact O-N 3.12Å; S154-M157 PolarHBondContact O-N 3.13Å; D155-M157 VanDerWaalsContact C-N 3.34Å; D155-M157 PolarHBondContact O-N 2.92Å; M157-A161 HydrophobicContact SD-CB 4.05Å
158	L	85.4	Confident	94.3	Very high	138 Å²	138	49.9 Å²	49.9	72%	0.723	25%	0.25	S	S	*	.	H	α-helix	trans	-92.8	-40.2	-179.5	-70.7	169.9	0	0	0	112.7	S154 D155 Y156	S154-L158 WeakPolarHBondContact O-CG 3.39Å; S154-L158 PolarHBondContact O-N 3.48Å; S154-L158 VanDerWaalsContact O-N 3.12Å; D155-L158 PolarHBondContact O-N 3.49Å; D155-L158 VanDerWaalsContact O-N 3.09Å; Y156-L158 VanDerWaalsContact C-N 3.26Å; Y156-L158 PolarHBondContact O-N 3.27Å
159	E	90.4	Very high	94.2	Very high	104 Å²	104	49.8 Å²	49.8	49%	0.486	25%	0.25	S	S	.	.	H	α-helix	trans	-94.9	-44.6	-167.4	-65.1	175.2	-166.4	0	0	113.1	D155 Q163 Y252	D155-E159 WeakPolarHBondContact O-CB 3.44Å; D155-E159 PolarHBondContact O-N 3.27Å; E159-Q163 PolarHBondContact O-NE2 3.37Å; E159-Y252 VanDerWaalsContact CD-OH 3.28Å; E159-Y252 VanDerWaalsContact OE2-CE2 3.3Å; E159-Y252 WeakPolarHBondContact OE2-CE2 3.45Å; E159-Y252 PolarHBondContact OE2-OH 2.93Å
160	I	94.4	Very high	94.2	Very high	32 Å²	32	50.3 Å²	50.3	16%	0.164	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.9	-13.6	-165.5	63.4	157.5	0	0	0	115.6	Y156 D162 Q163 V164 L248 Y252	Y156-I160 HydrophobicContact CD2-CD1 3.9Å; Y156-I160 HydrophobicContact CD2-CG1 3.78Å; Y156-I160 HydrophobicContact CE2-CD1 4.42Å; Y156-I160 HydrophobicContact CE2-CG1 4.34Å; Y156-I160 PolarHBondContact O-N 3.25Å; I160-D162 VanDerWaalsContact C-N 3.27Å; I160-D162 PolarHBondContact O-N 2.87Å; I160-Q163 WeakPolarHBondContact O-CA 3.3Å; I160-Q163 WeakPolarHBondContact O-CB 3.41Å; I160-Q163 PolarHBondContact O-N 2.97Å; I160-V164 HydrophobicContact CB-CG1 4.36Å; I160-V164 HydrophobicContact CD1-CG1 3.82Å; I160-V164 HydrophobicContact CG1-CG1 4.29Å; I160-V164 PolarHBondContact O-N 3.41Å; I160-L248 HydrophobicContact CD1-CD1 4.34Å; I160-Y252 HydrophobicContact CD1-CD2 3.57Å; I160-Y252 HydrophobicContact CD1-CE2 4.44Å; I160-Y252 HydrophobicContact CD1-CG 3.67Å; I160-Y252 HydrophobicContact CG1-CD2 4.12Å; I160-Y252 HydrophobicContact CG1-CG 4.49Å; I160-Y252 HydrophobicContact CG2-CD2 4.29Å; I160-Y252 HydrophobicContact CG2-CE2 4.45Å
161	A	90.1	Very high	94.3	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.008	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-33.6	-171.1	0	0	0	0	0	113.8	Y156 M157 Q163 V164 P209	Y156-A161 HydrophobicContact CD1-CB 4.18Å; Y156-A161 HydrophobicContact CD2-CB 4.27Å; Y156-A161 HydrophobicContact CE1-CB 3.7Å; Y156-A161 HydrophobicContact CE2-CB 3.8Å; Y156-A161 HydrophobicContact CG-CB 4.44Å; Y156-A161 VanDerWaalsContact CZ-CB 3.47Å; Y156-A161 VanDerWaalsContact O-CB 3.26Å; Y156-A161 WeakPolarHBondContact O-CB 3.27Å; Y156-A161 PolarHBondContact O-N 3.41Å; M157-A161 HydrophobicContact SD-CB 4.05Å; A161-Q163 PolarHBondContact O-N 3.04Å; A161-V164 WeakPolarHBondContact O-CG2 3.4Å; A161-P209 VanDerWaalsContact C-CB 3.49Å; A161-P209 HydrophobicContact CB-CB 3.89Å; A161-P209 HydrophobicContact CB-CG 4.4Å; A161-P209 VanDerWaalsContact O-CB 3.26Å; A161-P209 WeakPolarHBondContact O-CB 3.4Å; A161-P209 WeakPolarHBondContact O-CG 3.45Å
162	D	89.9	Confident	94.4	Very high	84 Å²	84	51.9 Å²	51.9	45%	0.449	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-14.9	174.9	-77.8	-56.8	0	0	0	113.8	I160 P209 K210 S211	I160-D162 VanDerWaalsContact C-N 3.27Å; I160-D162 PolarHBondContact O-N 2.87Å; D162-P209 WeakPolarHBondContact OD1-CB 3.38Å; D162-K210 PolarHBondContact OD1-N 3Å; D162-S211 WeakPolarHBondContact CA-OG 3.11Å; D162-S211 PolarHBondContact O-OG 3.05Å; D162-S211 WeakPolarHBondContact OD1-CB 3.49Å; D162-S211 PolarHBondContact OD1-N 3.31Å; D162-S211 PolarHBondContact OD1-OG 3.49Å
163	Q	93.6	Very high	94.3	Very high	160 Å²	160	51.9 Å²	51.9	75%	0.748	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-23	-174.2	-54.1	-178.9	53.2	0	0	114.2	E159 I160 A161	E159-Q163 PolarHBondContact O-NE2 3.37Å; I160-Q163 WeakPolarHBondContact O-CA 3.3Å; I160-Q163 WeakPolarHBondContact O-CB 3.41Å; I160-Q163 PolarHBondContact O-N 2.97Å; A161-Q163 PolarHBondContact O-N 3.04Å
164	V	95.3	Very high	94.4	Very high	26 Å²	26	50.6 Å²	50.6	16%	0.158	25%	0.254	C	S	.	.	S	Bend	trans	-70.6	160.2	178.9	-64.6	0	0	0	0	112.7	Y156 I160 A161 Q166 A169 V251	Y156-V164 HydrophobicContact CE2-CG1 4.39Å; Y156-V164 HydrophobicContact CE2-CG2 4Å; I160-V164 HydrophobicContact CB-CG1 4.36Å; I160-V164 HydrophobicContact CD1-CG1 3.82Å; I160-V164 HydrophobicContact CG1-CG1 4.29Å; I160-V164 PolarHBondContact O-N 3.41Å; A161-V164 WeakPolarHBondContact O-CG2 3.4Å; V164-Q166 PolarHBondContact O-N 3.18Å; V164-A169 HydrophobicContact CG2-CB 4.14Å; V164-V251 HydrophobicContact CG1-CG2 4.28Å
165	D	96.3	Very high	94.7	Very high	117 Å²	117	49.1 Å²	49.1	63%	0.626	24%	0.244	S	C	*	.			trans	-52.3	135.6	173	-74.8	-54.3	0	0	0	112.3	E167 I168 A169	D165-E167 PolarHBondContact O-N 3.4Å; D165-E167 VanDerWaalsContact O-N 3.09Å; D165-I168 HydrophobicContact CB-CB 4.49Å; D165-I168 HydrophobicContact CB-CD1 4.15Å; D165-I168 HydrophobicContact CB-CG1 4.15Å; D165-I168 WeakPolarHBondContact O-CA 3.37Å; D165-I168 WeakPolarHBondContact O-CB 3.29Å; D165-I168 PolarHBondContact O-N 3.16Å; D165-A169 PolarHBondContact O-N 2.91Å
166	Q	95.8	Very high	94.8	Very high	92 Å²	92	49.2 Å²	49.2	43%	0.43	24%	0.244	S	C	.	.	H	α-helix	trans	-56.9	-31.4	-178	-66.4	-165.3	-9.8	0	0	113	V164 L170 L212 S215	V164-Q166 PolarHBondContact O-N 3.18Å; Q166-L170 WeakPolarHBondContact O-CB 3.43Å; Q166-L170 VanDerWaalsContact O-CG 3.25Å; Q166-L170 WeakPolarHBondContact O-CG 3.49Å; Q166-L170 PolarHBondContact O-N 3.21Å; Q166-L212 HydrophobicContact CB-CD1 4.03Å; Q166-L212 HydrophobicContact CG-CD1 4.13Å; Q166-S215 PolarHBondContact NE2-OG 3.08Å
167	E	97	Very high	94.7	Very high	119 Å²	119	49 Å²	49	56%	0.556	24%	0.243	S	C	*	.	H	α-helix	trans	-68.9	-38.2	176.1	-163.7	-172.8	140.9	0	0	112.3	D165 L170 K171	D165-E167 PolarHBondContact O-N 3.4Å; D165-E167 VanDerWaalsContact O-N 3.09Å; E167-L170 PolarHBondContact O-N 2.97Å; E167-K171 HydrophobicContact CG-CD 4.34Å; E167-K171 WeakPolarHBondContact O-CB 3.31Å; E167-K171 VanDerWaalsContact O-CG 3.31Å; E167-K171 WeakPolarHBondContact O-CG 3.35Å; E167-K171 PolarHBondContact O-N 3.41Å; E167-K171 VanDerWaalsContact OE1-CE 3.24Å; E167-K171 WeakPolarHBondContact OE1-CE 3.48Å; E167-K171 IonicContact OE1-NZ 3.82Å; E167-K171 PolarHBondContact OE1-NZ 3.48Å
168	I	97.9	Very high	95.1	Very high	30 Å²	30	47.5 Å²	47.5	15%	0.154	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-48.6	175.4	-62.8	178.3	0	0	0	109.1	D165 L170 K171 L172 I247 V251	D165-I168 HydrophobicContact CB-CB 4.49Å; D165-I168 HydrophobicContact CB-CD1 4.15Å; D165-I168 HydrophobicContact CB-CG1 4.15Å; D165-I168 WeakPolarHBondContact O-CA 3.37Å; D165-I168 WeakPolarHBondContact O-CB 3.29Å; D165-I168 PolarHBondContact O-N 3.16Å; I168-L170 VanDerWaalsContact C-N 3.32Å; I168-L170 PolarHBondContact O-N 3.04Å; I168-K171 PolarHBondContact O-N 3.05Å; I168-K171 VanDerWaalsContact O-N 3.12Å; I168-L172 HydrophobicContact CG2-CD1 3.72Å; I168-L172 HydrophobicContact CG2-CG 4.17Å; I168-L172 WeakPolarHBondContact O-CB 3.38Å; I168-L172 WeakPolarHBondContact O-CG 3.21Å; I168-L172 PolarHBondContact O-N 3.32Å; I168-I247 HydrophobicContact CG2-CG2 4.21Å; I168-V251 HydrophobicContact CD1-CG1 3.75Å; I168-V251 HydrophobicContact CD1-CG2 4.47Å; I168-V251 HydrophobicContact CG2-CG2 4.41Å
169	A	97.4	Very high	95.6	Very high	1 Å²	1	41 Å²	41	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-57.6	-42.1	175.4	0	0	0	0	0	112.8	V164 D165 G173 P209 L212	V164-A169 HydrophobicContact CG2-CB 4.14Å; D165-A169 PolarHBondContact O-N 2.91Å; A169-G173 PolarHBondContact O-N 2.77Å; A169-P209 HydrophobicContact CB-CG 3.78Å; A169-L212 HydrophobicContact CB-CD2 4.07Å
170	L	97.9	Very high	95.4	Very high	11 Å²	11	37.5 Å²	37.5	6%	0.058	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-43.8	174.2	-80.6	167.1	0	0	0	112.3	Q166 E167 I168 C174 F208 L212 L221 L224 I225 T228	Q166-L170 WeakPolarHBondContact O-CB 3.43Å; Q166-L170 VanDerWaalsContact O-CG 3.25Å; Q166-L170 WeakPolarHBondContact O-CG 3.49Å; Q166-L170 PolarHBondContact O-N 3.21Å; E167-L170 PolarHBondContact O-N 2.97Å; I168-L170 VanDerWaalsContact C-N 3.32Å; I168-L170 PolarHBondContact O-N 3.04Å; L170-C174 WeakPolarHBondContact O-CB 3.37Å; L170-C174 PolarHBondContact O-N 3Å; L170-C174 PolarHBondContact O-SG 2.79Å; L170-F208 HydrophobicContact CD2-CE1 4.27Å; L170-L212 HydrophobicContact CD2-CD2 3.92Å; L170-L212 HydrophobicContact CG-CD1 4.35Å; L170-L212 HydrophobicContact CG-CD2 3.83Å; L170-L221 HydrophobicContact CD2-CD1 4.3Å; L170-L224 HydrophobicContact CD1-CB 4.05Å; L170-L224 HydrophobicContact CD1-CD1 4.24Å; L170-L224 HydrophobicContact CD2-CB 4.23Å; L170-I225 HydrophobicContact CD2-CG1 3.97Å; L170-T228 HydrophobicContact CB-CG2 4.49Å
171	K	98.6	Very high	95	Very high	48 Å²	48	36.7 Å²	36.7	21%	0.209	18%	0.183	C	C	.	.	H	α-helix	trans	-65.1	-50.3	179.2	-78.3	167.2	165.6	168.9	0	111.7	E167 I168 G173 C174 L175 T228 F232 I247	E167-K171 HydrophobicContact CG-CD 4.34Å; E167-K171 WeakPolarHBondContact O-CB 3.31Å; E167-K171 VanDerWaalsContact O-CG 3.31Å; E167-K171 WeakPolarHBondContact O-CG 3.35Å; E167-K171 PolarHBondContact O-N 3.41Å; E167-K171 VanDerWaalsContact OE1-CE 3.24Å; E167-K171 WeakPolarHBondContact OE1-CE 3.48Å; E167-K171 IonicContact OE1-NZ 3.82Å; E167-K171 PolarHBondContact OE1-NZ 3.48Å; I168-K171 PolarHBondContact O-N 3.05Å; I168-K171 VanDerWaalsContact O-N 3.12Å; K171-G173 PolarHBondContact O-N 2.68Å; K171-C174 PolarHBondContact O-N 3.14Å; K171-L175 WeakPolarHBondContact O-CG 3.5Å; K171-L175 PolarHBondContact O-N 3.06Å; K171-T228 HydrophobicContact CB-CG2 4.5Å; K171-T228 HydrophobicContact CG-CG2 3.87Å; K171-F232 HydrophobicContact CB-CE2 4.18Å; K171-F232 HydrophobicContact CB-CZ 4.19Å; K171-F232 HydrophobicContact CG-CE2 4.15Å; K171-F232 HydrophobicContact CG-CZ 4.05Å; K171-I247 HydrophobicContact CB-CD1 4.2Å; K171-I247 HydrophobicContact CB-CG2 4.41Å; K171-I247 HydrophobicContact CD-CD1 4.44Å
172	L	98.5	Very high	94.7	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-62.1	-43.1	179.9	-66.1	176.8	0	0	0	111.8	Y156 I168 L175 E176 F244 I247 L248	Y156-L172 HydrophobicContact CD2-CD1 4.21Å; Y156-L172 HydrophobicContact CE1-CD1 4.09Å; Y156-L172 HydrophobicContact CE2-CD1 3.64Å; I168-L172 HydrophobicContact CG2-CD1 3.72Å; I168-L172 HydrophobicContact CG2-CG 4.17Å; I168-L172 WeakPolarHBondContact O-CB 3.38Å; I168-L172 WeakPolarHBondContact O-CG 3.21Å; I168-L172 PolarHBondContact O-N 3.32Å; L172-L175 PolarHBondContact O-N 2.86Å; L172-E176 PolarHBondContact O-N 2.87Å; L172-F244 HydrophobicContact CB-CD2 4.06Å; L172-F244 HydrophobicContact CB-CE2 3.78Å; L172-F244 HydrophobicContact CD2-CB 4.44Å; L172-F244 HydrophobicContact CD2-CD1 4.36Å; L172-F244 HydrophobicContact CD2-CD2 3.51Å; L172-F244 HydrophobicContact CD2-CE2 3.76Å; L172-F244 HydrophobicContact CD2-CG 3.82Å; L172-F244 HydrophobicContact CD2-CZ 4.27Å; L172-F244 HydrophobicContact CG-CD2 4.35Å; L172-F244 HydrophobicContact CG-CE2 4.23Å; L172-I247 HydrophobicContact CD2-CB 4.01Å; L172-I247 HydrophobicContact CD2-CG2 3.81Å; L172-I247 HydrophobicContact CG-CG2 4.15Å; L172-L248 HydrophobicContact CD1-CB 4.43Å; L172-L248 HydrophobicContact CD1-CD1 4.01Å; L172-L248 HydrophobicContact CD2-CB 4.16Å
173	G	96.8	Very high	94.2	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-67	-36.5	175.6	0	0	0	0	0	113.7	A169 K171 L175 E176 I177 F207	A169-G173 PolarHBondContact O-N 2.77Å; K171-G173 PolarHBondContact O-N 2.68Å; G173-L175 VanDerWaalsContact C-N 3.33Å; G173-L175 PolarHBondContact O-N 3.25Å; G173-E176 PolarHBondContact O-N 3.21Å; G173-I177 VanDerWaalsContact O-CG1 3.31Å; G173-I177 WeakPolarHBondContact O-CG1 3.27Å; G173-I177 PolarHBondContact O-N 2.59Å; G173-F207 WeakPolarHBondContact CA-O 3.45Å
174	C	98.4	Very high	93.9	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.6	-34.5	172.9	-71.4	0	0	0	0	112.6	L170 K171 I177 R178 T228 F229 F232	L170-C174 WeakPolarHBondContact O-CB 3.37Å; L170-C174 PolarHBondContact O-N 3Å; L170-C174 PolarHBondContact O-SG 2.79Å; K171-C174 PolarHBondContact O-N 3.14Å; C174-I177 PolarHBondContact O-N 3.39Å; C174-R178 WeakPolarHBondContact O-CB 3.25Å; C174-R178 PolarHBondContact O-N 2.82Å; C174-T228 HydrophobicContact CB-CG2 4.18Å; C174-F229 HydrophobicContact CB-CB 4.49Å; C174-F229 HydrophobicContact CB-CD2 4.33Å; C174-F232 HydrophobicContact CB-CD2 3.91Å; C174-F232 HydrophobicContact CB-CE2 4.25Å
175	L	98.5	Very high	93.4	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-68.2	-41.3	174.6	-75.4	166.6	0	0	0	112.3	K171 L172 G173 R178 R179 F232 L235 K243 F244 I247	K171-L175 WeakPolarHBondContact O-CG 3.5Å; K171-L175 PolarHBondContact O-N 3.06Å; L172-L175 PolarHBondContact O-N 2.86Å; G173-L175 VanDerWaalsContact C-N 3.33Å; G173-L175 PolarHBondContact O-N 3.25Å; L175-R178 PolarHBondContact O-N 2.86Å; L175-R179 WeakPolarHBondContact O-CB 3.19Å; L175-R179 PolarHBondContact O-N 2.79Å; L175-F232 HydrophobicContact CD1-CE1 4.46Å; L175-F232 HydrophobicContact CD1-CZ 4.38Å; L175-F232 HydrophobicContact CD2-CB 4Å; L175-F232 HydrophobicContact CD2-CD1 3.64Å; L175-F232 HydrophobicContact CD2-CD2 4.12Å; L175-F232 HydrophobicContact CD2-CE1 4.12Å; L175-F232 HydrophobicContact CD2-CG 3.63Å; L175-F232 HydrophobicContact CG-CD1 4.23Å; L175-F232 HydrophobicContact CG-CD2 4.02Å; L175-F232 HydrophobicContact CG-CE1 4.35Å; L175-F232 HydrophobicContact CG-CE2 4.14Å; L175-F232 HydrophobicContact CG-CG 4.06Å; L175-F232 HydrophobicContact CG-CZ 4.3Å; L175-L235 HydrophobicContact CD2-CD1 3.86Å; L175-K243 HydrophobicContact CD1-CB 4.23Å; L175-K243 HydrophobicContact CD1-CG 4.12Å; L175-K243 HydrophobicContact CD2-CB 4.03Å; L175-K243 HydrophobicContact CD2-CG 4.14Å; L175-F244 HydrophobicContact CB-CD2 4.47Å; L175-F244 HydrophobicContact CD1-CB 4.17Å; L175-I247 HydrophobicContact CD1-CD1 3.9Å
176	E	95.8	Very high	93	Very high	14 Å²	14	31.4 Å²	31.4	7%	0.065	15%	0.147	C	C	.	.	H	α-helix	trans	-63.7	-41.9	172.2	172.5	52.7	-149.5	0	0	111.3	Y149 K153 L172 G173 R178 R179 S180 F207	Y149-E176 VanDerWaalsContact CE1-OE2 3.25Å; Y149-E176 WeakPolarHBondContact CE1-OE2 3.46Å; Y149-E176 PolarHBondContact OH-OE2 2.67Å; K153-E176 HydrophobicContact CD-CB 4.38Å; K153-E176 HydrophobicContact CD-CG 4.16Å; L172-E176 PolarHBondContact O-N 2.87Å; G173-E176 PolarHBondContact O-N 3.21Å; E176-R178 VanDerWaalsContact C-N 3.28Å; E176-R178 PolarHBondContact O-N 2.84Å; E176-R179 PolarHBondContact O-N 3.49Å; E176-R179 IonicContact OE1-CZ 3.85Å; E176-R179 IonicContact OE1-NE 2.79Å; E176-R179 IonicContact OE1-NH2 2.68Å; E176-R179 PolarHBondContact OE1-NH2 2.8Å; E176-R179 IonicContact OE2-CZ 3.04Å; E176-R179 IonicContact OE2-NE 3.58Å; E176-R179 PolarHBondContact OE2-NE 2.75Å; E176-R179 IonicContact OE2-NH2 2.77Å; E176-R179 PolarHBondContact OE2-NH2 3.01Å; E176-R179 VanDerWaalsContact OE2-NH2 3.17Å; E176-S180 VanDerWaalsContact O-CB 3.31Å; E176-S180 WeakPolarHBondContact O-CB 3.4Å; E176-S180 PolarHBondContact O-N 2.89Å; E176-S180 WeakPolarHBondContact OE1-CB 3.27Å; E176-S180 PolarHBondContact OE1-OG 2.97Å; E176-F207 HydrophobicContact CB-CD1 4.23Å; E176-F207 HydrophobicContact CG-CD1 3.61Å; E176-F207 HydrophobicContact CG-CE1 3.91Å
177	I	93.9	Very high	92.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-57.4	-43.9	173.6	-67.6	165.4	0	0	0	110.4	G173 C174 Y181 M184 L189 L198 F207 F208 F229	G173-I177 VanDerWaalsContact O-CG1 3.31Å; G173-I177 WeakPolarHBondContact O-CG1 3.27Å; G173-I177 PolarHBondContact O-N 2.59Å; C174-I177 PolarHBondContact O-N 3.39Å; I177-Y181 HydrophobicContact CG2-CD2 4.13Å; I177-Y181 WeakPolarHBondContact O-CB 3.4Å; I177-Y181 WeakPolarHBondContact O-CD2 3.49Å; I177-Y181 PolarHBondContact O-N 3.23Å; I177-M184 HydrophobicContact CG2-CE 4.39Å; I177-L189 HydrophobicContact CG2-CD1 4.02Å; I177-L198 HydrophobicContact CD1-CD1 4.16Å; I177-L198 HydrophobicContact CG1-CD1 4.44Å; I177-L198 HydrophobicContact CG2-CD1 3.88Å; I177-F207 HydrophobicContact CD1-CB 4.26Å; I177-F207 HydrophobicContact CD1-CD2 4.11Å; I177-F207 HydrophobicContact CD1-CG 4.06Å; I177-F207 HydrophobicContact CG1-CB 4.16Å; I177-F207 HydrophobicContact CG1-CD1 3.66Å; I177-F207 HydrophobicContact CG1-CD2 3.83Å; I177-F207 HydrophobicContact CG1-CE1 3.97Å; I177-F207 HydrophobicContact CG1-CE2 4.13Å; I177-F207 HydrophobicContact CG1-CG 3.59Å; I177-F207 HydrophobicContact CG1-CZ 4.21Å; I177-F208 HydrophobicContact CD1-CE2 3.77Å; I177-F208 HydrophobicContact CD1-CZ 3.78Å; I177-F229 HydrophobicContact CB-CE2 4.35Å; I177-F229 HydrophobicContact CG2-CD2 4.28Å; I177-F229 HydrophobicContact CG2-CE2 3.84Å
178	R	96.3	Very high	92.2	Very high	18 Å²	18	25.1 Å²	25.1	7%	0.068	12%	0.12	C	C	.	.	H	α-helix	trans	-65.1	-41.6	178.5	-175.4	66.8	-150.7	134.1	9.6	112.5	C174 L175 E176 Y181 W182 M184 F229 F232 A233 L235 S240	C174-R178 WeakPolarHBondContact O-CB 3.25Å; C174-R178 PolarHBondContact O-N 2.82Å; L175-R178 PolarHBondContact O-N 2.86Å; E176-R178 VanDerWaalsContact C-N 3.28Å; E176-R178 PolarHBondContact O-N 2.84Å; R178-Y181 CarbonylContact O-C 3.48Å; R178-W182 PolarHBondContact NH1-O 3.47Å; R178-W182 PolarHBondContact NH2-O 2.89Å; R178-W182 VanDerWaalsContact O-CA 3.26Å; R178-W182 WeakPolarHBondContact O-CA 3.32Å; R178-W182 PolarHBondContact O-N 3.15Å; R178-W182 VanDerWaalsContact O-N 3.12Å; R178-M184 PolarHBondContact NH1-O 3.29Å; R178-F229 HydrophobicContact CB-CE2 3.87Å; R178-F229 HydrophobicContact CB-CZ 4.44Å; R178-F232 VanDerWaalsContact CD-O 3.27Å; R178-F232 WeakPolarHBondContact CD-O 3.26Å; R178-F232 WeakPolarHBondContact CG-O 3.27Å; R178-A233 PolarHBondContact NE-O 3.02Å; R178-L235 HydrophobicContact CG-CB 4.33Å; R178-L235 PolarHBondContact NE-O 3.39Å; R178-L235 PolarHBondContact NH2-O 2.77Å; R178-L235 VanDerWaalsContact NH2-O 3.09Å; R178-S240 WeakPolarHBondContact CG-OG 3.47Å
179	R	94.6	Very high	91.9	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	11%	0.113	C	C	.	.	H	α-helix	trans	-68.6	-47.7	178.3	-169.3	-154.6	67.3	80.4	10.1	112.1	E45 L175 E176 R237 I241	E45-R179 IonicContact OE1-CZ 3.56Å; E45-R179 VanDerWaalsContact OE1-CZ 3.28Å; E45-R179 IonicContact OE1-NH1 3.18Å; E45-R179 PolarHBondContact OE1-NH1 2.99Å; E45-R179 IonicContact OE1-NH2 3.38Å; E45-R179 PolarHBondContact OE1-NH2 2.91Å; L175-R179 WeakPolarHBondContact O-CB 3.19Å; L175-R179 PolarHBondContact O-N 2.79Å; E176-R179 PolarHBondContact O-N 3.49Å; E176-R179 IonicContact OE1-CZ 3.85Å; E176-R179 IonicContact OE1-NE 2.79Å; E176-R179 IonicContact OE1-NH2 2.68Å; E176-R179 PolarHBondContact OE1-NH2 2.8Å; E176-R179 IonicContact OE2-CZ 3.04Å; E176-R179 IonicContact OE2-NE 3.58Å; E176-R179 PolarHBondContact OE2-NE 2.75Å; E176-R179 IonicContact OE2-NH2 2.77Å; E176-R179 PolarHBondContact OE2-NH2 3.01Å; E176-R179 VanDerWaalsContact OE2-NH2 3.17Å; R179-R237 HydrophobicContact CG-CB 4.39Å; R179-R237 HydrophobicContact CG-CG 4.45Å; R179-I241 HydrophobicContact CG-CD1 4.41Å; R179-I241 HydrophobicContact CG-CG1 4.08Å
180	S	86.4	Confident	91.6	Very high	30 Å²	30	27.6 Å²	27.6	21%	0.21	13%	0.131	C	C	.	.	H	α-helix	trans	-62.6	-43.2	177.7	-101.2	0	0	0	0	112	E176	E176-S180 VanDerWaalsContact O-CB 3.31Å; E176-S180 WeakPolarHBondContact O-CB 3.4Å; E176-S180 PolarHBondContact O-N 2.89Å; E176-S180 WeakPolarHBondContact OE1-CB 3.27Å; E176-S180 PolarHBondContact OE1-OG 2.97Å
181	Y	86.3	Confident	91.1	Very high	16 Å²	16	29.9 Å²	29.9	6%	0.063	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	45	-176.1	-54.8	-72.4	0	0	0	112.5	I177 R178 E183 M184 L198 V202 F207 N596 F597	I177-Y181 HydrophobicContact CG2-CD2 4.13Å; I177-Y181 WeakPolarHBondContact O-CB 3.4Å; I177-Y181 WeakPolarHBondContact O-CD2 3.49Å; I177-Y181 PolarHBondContact O-N 3.23Å; R178-Y181 CarbonylContact O-C 3.48Å; Y181-E183 PolarHBondContact O-N 2.78Å; Y181-E183 VanDerWaalsContact O-N 3.12Å; Y181-M184 WeakPolarHBondContact O-CB 3.12Å; Y181-M184 PolarHBondContact O-N 2.85Å; Y181-L198 HydrophobicContact CD2-CD2 4.28Å; Y181-L198 HydrophobicContact CE2-CD2 3.67Å; Y181-V202 WeakPolarHBondContact OH-CG2 3.46Å; Y181-F207 HydrophobicContact CE2-CE1 4.47Å; Y181-F207 AromaticContact CE2-CZ 3.82Å; Y181-F207 HydrophobicContact CE2-CZ 3.82Å; Y181-N596 WeakPolarHBondContact CD1-O 3.34Å; Y181-F597 HydrophobicContact CD1-CB 4.47Å; Y181-F597 AromaticContact CD1-CD1 3.96Å; Y181-F597 HydrophobicContact CD1-CD1 3.96Å; Y181-F597 HydrophobicContact CE1-CB 4.14Å; Y181-F597 HydrophobicContact CE1-CD1 4.01Å; Y181-F597 HydrophobicContact CG-CD1 4.27Å
182	W	84	Confident	90.6	Very high	99 Å²	99	33.4 Å²	33.4	38%	0.375	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.8	-177.3	81.1	-60.5	0	0	0	115.2	R178 M184 R237	R178-W182 PolarHBondContact NH1-O 3.47Å; R178-W182 PolarHBondContact NH2-O 2.89Å; R178-W182 VanDerWaalsContact O-CA 3.26Å; R178-W182 WeakPolarHBondContact O-CA 3.32Å; R178-W182 PolarHBondContact O-N 3.15Å; R178-W182 VanDerWaalsContact O-N 3.12Å; W182-M184 VanDerWaalsContact C-N 3.33Å; W182-R237 HydrophobicContact CB-CG 3.74Å; W182-R237 HydrophobicContact CD2-CG 4.48Å; W182-R237 VanDerWaalsContact CE2-NH1 3.26Å; W182-R237 HydrophobicContact CG-CG 3.93Å
183	E	79.3	Confident	89.8	Confident	66 Å²	66	34.1 Å²	34.1	31%	0.308	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-22.5	175.6	-90.4	153.3	-122.8	0	0	112.9	Y181 R598	Y181-E183 PolarHBondContact O-N 2.78Å; Y181-E183 VanDerWaalsContact O-N 3.12Å; E183-R598 VanDerWaalsContact CD-NH2 3.3Å; E183-R598 IonicContact OE1-NH2 3.96Å; E183-R598 PolarHBondContact OE1-NH2 3.16Å; E183-R598 VanDerWaalsContact OE1-NH2 3.08Å; E183-R598 IonicContact OE2-CZ 3.59Å; E183-R598 IonicContact OE2-NE 3.58Å; E183-R598 PolarHBondContact OE2-NE 3.13Å; E183-R598 VanDerWaalsContact OE2-NE 3.07Å; E183-R598 IonicContact OE2-NH2 2.75Å; E183-R598 PolarHBondContact OE2-NH2 2.65Å
184	M	86.2	Confident	89.3	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.015	16%	0.161	C	C	.	.	S	Bend	trans	-66.6	140.2	176.7	-177.2	-174.7	66.4	0	0	110.1	I177 R178 Y181 W182 A188 L189 F229 N596 F597	I177-M184 HydrophobicContact CG2-CE 4.39Å; R178-M184 PolarHBondContact NH1-O 3.29Å; Y181-M184 WeakPolarHBondContact O-CB 3.12Å; Y181-M184 PolarHBondContact O-N 2.85Å; W182-M184 VanDerWaalsContact C-N 3.33Å; M184-A188 HydrophobicContact CG-CB 3.28Å; M184-A188 HydrophobicContact SD-CB 3.73Å; M184-L189 HydrophobicContact CE-CD1 4.19Å; M184-L189 HydrophobicContact CE-CD2 3.87Å; M184-L189 HydrophobicContact CE-CG 3.8Å; M184-L189 HydrophobicContact SD-CD2 3.68Å; M184-L189 HydrophobicContact SD-CG 4.17Å; M184-F229 HydrophobicContact CE-CE1 3.99Å; M184-F229 HydrophobicContact CE-CE2 4.17Å; M184-F229 HydrophobicContact CE-CZ 3.45Å; M184-F229 VanDerWaalsContact CE-CZ 3.45Å; M184-N596 HydrophobicContact CB-CB 4.31Å; M184-N596 HydrophobicContact CG-CB 4.09Å; M184-F597 HydrophobicContact SD-CD1 4.42Å; M184-F597 HydrophobicContact SD-CE1 3.45Å; M184-F597 WeakPolarHBondContact SD-CE1 3.33Å; M184-F597 HydrophobicContact SD-CZ 3.75Å
185	R	85.2	Confident	88.8	Confident	88 Å²	88	34.3 Å²	34.3	33%	0.332	16%	0.162	S	C	.	.			trans	-67.7	149.5	176.7	-66.8	-160.5	168.4	-162.4	-6.1	112.7	N187 A188 N630 G634 E637	R185-N187 PolarHBondContact O-N 2.82Å; R185-N187 VanDerWaalsContact O-N 3.14Å; R185-A188 HydrophobicContact CB-CB 4.48Å; R185-A188 WeakPolarHBondContact O-CB 3.33Å; R185-A188 PolarHBondContact O-N 2.88Å; R185-N630 PolarHBondContact NH2-O 2.92Å; R185-G634 VanDerWaalsContact NH2-CA 3.34Å; R185-E637 WeakPolarHBondContact CD-OE2 3.1Å
186	G	87.6	Confident	88	Confident	20 Å²	20	36.4 Å²	36.4	21%	0.206	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.5	-177.5	0	0	0	0	0	115.5	F229 A233	G186-F229 WeakPolarHBondContact O-CE1 3.46Å; G186-A233 WeakPolarHBondContact CA-O 3.45Å
187	N	89.1	Confident	87	Confident	80 Å²	80	36.2 Å²	36.2	43%	0.428	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	2	176	65.3	-21.2	0	0	0	113.9	R185 L189 E190	R185-N187 PolarHBondContact O-N 2.82Å; R185-N187 VanDerWaalsContact O-N 3.14Å; N187-L189 VanDerWaalsContact C-N 3.27Å; N187-L189 PolarHBondContact O-N 2.93Å; N187-E190 HydrophobicContact CB-CG 4.44Å; N187-E190 VanDerWaalsContact O-CB 3.3Å; N187-E190 WeakPolarHBondContact O-CB 3.21Å; N187-E190 WeakPolarHBondContact O-CG 3.46Å; N187-E190 PolarHBondContact O-N 3.43Å
188	A	88	Confident	86.2	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-61.1	-33.7	-171.9	0	0	0	0	0	113.3	M184 R185 E190 K191 N194	M184-A188 HydrophobicContact CG-CB 3.28Å; M184-A188 HydrophobicContact SD-CB 3.73Å; R185-A188 HydrophobicContact CB-CB 4.48Å; R185-A188 WeakPolarHBondContact O-CB 3.33Å; R185-A188 PolarHBondContact O-N 2.88Å; A188-E190 PolarHBondContact O-N 2.85Å; A188-K191 PolarHBondContact O-N 3.37Å; A188-N194 WeakPolarHBondContact O-CB 3.48Å; A188-N194 PolarHBondContact O-ND2 3.16Å
189	L	92.1	Very high	85.5	Confident	2 Å²	2	38 Å²	38	1%	0.01	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-73.2	-10.2	178.9	-58.7	-173.2	0	0	0	114	I177 M184 N187 K191 L198 Q226 F229 F597	I177-L189 HydrophobicContact CG2-CD1 4.02Å; M184-L189 HydrophobicContact CE-CD1 4.19Å; M184-L189 HydrophobicContact CE-CD2 3.87Å; M184-L189 HydrophobicContact CE-CG 3.8Å; M184-L189 HydrophobicContact SD-CD2 3.68Å; M184-L189 HydrophobicContact SD-CG 4.17Å; N187-L189 VanDerWaalsContact C-N 3.27Å; N187-L189 PolarHBondContact O-N 2.93Å; L189-K191 PolarHBondContact O-N 2.85Å; L189-L198 HydrophobicContact CD1-CD1 4.14Å; L189-L198 HydrophobicContact CD2-CD1 3.59Å; L189-L198 HydrophobicContact CD2-CG 4.33Å; L189-Q226 WeakPolarHBondContact O-CG 3.33Å; L189-Q226 PolarHBondContact O-NE2 3.17Å; L189-F229 HydrophobicContact CD1-CB 4.29Å; L189-F229 HydrophobicContact CD1-CD1 3.86Å; L189-F229 HydrophobicContact CD1-CD2 3.81Å; L189-F229 HydrophobicContact CD1-CE1 4.09Å; L189-F229 HydrophobicContact CD1-CE2 4.05Å; L189-F229 HydrophobicContact CD1-CG 3.71Å; L189-F229 HydrophobicContact CD1-CZ 4.19Å; L189-F229 HydrophobicContact CG-CD1 4.28Å; L189-F229 HydrophobicContact CG-CE1 4.28Å; L189-F597 HydrophobicContact CD2-CE1 4.41Å; L189-F597 HydrophobicContact CD2-CZ 4.44Å
190	E	90.1	Very high	84.4	Confident	81 Å²	81	44.6 Å²	44.6	38%	0.379	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-64.9	-35.6	172.8	-59.4	-169.3	149.1	0	0	110.7	N187 A188 R222 Q226 R230	N187-E190 HydrophobicContact CB-CG 4.44Å; N187-E190 VanDerWaalsContact O-CB 3.3Å; N187-E190 WeakPolarHBondContact O-CB 3.21Å; N187-E190 WeakPolarHBondContact O-CG 3.46Å; N187-E190 PolarHBondContact O-N 3.43Å; A188-E190 PolarHBondContact O-N 2.85Å; E190-R222 PolarHBondContact O-NH2 3.34Å; E190-Q226 PolarHBondContact O-NE2 3.16Å; E190-Q226 VanDerWaalsContact O-NE2 3.16Å; E190-R230 IonicContact OE1-CZ 3.59Å; E190-R230 IonicContact OE1-NE 3.63Å; E190-R230 PolarHBondContact OE1-NE 2.6Å; E190-R230 IonicContact OE1-NH2 3.62Å; E190-R230 PolarHBondContact OE1-NH2 2.98Å
191	K	88.1	Confident	83.5	Confident	58 Å²	58	45.4 Å²	45.4	25%	0.252	21%	0.211	S	C	.	.	S	Bend	trans	-66.3	131.1	176.5	-62.8	-176.6	175.2	-176.5	0	111	A188 L189 S193 N194 Y195 E637 Y662	A188-K191 PolarHBondContact O-N 3.37Å; L189-K191 PolarHBondContact O-N 2.85Å; K191-S193 PolarHBondContact O-N 3.44Å; K191-N194 HydrophobicContact CB-CB 4.13Å; K191-N194 PolarHBondContact O-N 3.04Å; K191-Y195 PolarHBondContact O-N 3.04Å; K191-E637 VanDerWaalsContact NZ-CA 3.3Å; K191-E637 VanDerWaalsContact NZ-CB 3.28Å; K191-E637 PolarHBondContact NZ-O 3.31Å; K191-Y662 HydrophobicContact CD-CD1 4.45Å; K191-Y662 HydrophobicContact CD-CE1 3.61Å
192	K	87.7	Confident	82.9	Confident	122 Å²	122	45.1 Å²	45.1	53%	0.53	21%	0.211	S	C	.	.	H	α-helix	trans	-60.1	-49.1	-176.8	-178.8	178.9	173.3	-159.1	0	112.5	N194 Y195 E196 R222	K192-N194 VanDerWaalsContact C-N 3.31Å; K192-N194 PolarHBondContact O-N 3.13Å; K192-Y195 PolarHBondContact O-N 2.96Å; K192-E196 WeakPolarHBondContact CE-OE1 3.39Å; K192-E196 WeakPolarHBondContact CE-OE2 3.49Å; K192-E196 HydrophobicContact CG-CG 4.3Å; K192-E196 WeakPolarHBondContact CG-OE2 3.45Å; K192-E196 IonicContact NZ-OE1 3.77Å; K192-E196 WeakPolarHBondContact O-CG 3.27Å; K192-E196 PolarHBondContact O-N 3.43Å; K192-R222 VanDerWaalsContact CA-NH2 3.28Å
193	S	81.8	Confident	82.4	Confident	17 Å²	17	41.2 Å²	41.2	12%	0.119	20%	0.201	C	C	.	.	H	α-helix	trans	-58.9	-41.7	-179.6	54.3	0	0	0	0	112.4	K191 E196 V197	K191-S193 PolarHBondContact O-N 3.44Å; S193-E196 PolarHBondContact O-N 2.8Å; S193-V197 WeakPolarHBondContact O-CG2 3.41Å; S193-V197 PolarHBondContact O-N 2.97Å; S193-V197 VanDerWaalsContact O-N 3.09Å
194	N	86	Confident	82.5	Confident	5 Å²	5	38.8 Å²	38.8	3%	0.027	19%	0.19	C	C	.	.	H	α-helix	trans	-63.9	-41.8	178	-74.1	3.4	0	0	0	112.3	A188 K191 K192 V197 F597 Y662	A188-N194 WeakPolarHBondContact O-CB 3.48Å; A188-N194 PolarHBondContact O-ND2 3.16Å; K191-N194 HydrophobicContact CB-CB 4.13Å; K191-N194 PolarHBondContact O-N 3.04Å; K192-N194 VanDerWaalsContact C-N 3.31Å; K192-N194 PolarHBondContact O-N 3.13Å; N194-V197 PolarHBondContact O-N 3.1Å; N194-F597 HydrophobicContact CB-CE2 4.01Å; N194-F597 HydrophobicContact CB-CZ 3.84Å; N194-Y662 PolarHBondContact ND2-OH 2.95Å; N194-Y662 WeakPolarHBondContact OD1-CE1 3.3Å; N194-Y662 PolarHBondContact OD1-OH 2.87Å
195	Y	88.3	Confident	82.2	Confident	1 Å²	1	46.3 Å²	46.3	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-67	-40.1	173.5	177.9	-85.9	0	0	0	111.9	K191 K192 V197 L198 E199 R222 I225	K191-Y195 PolarHBondContact O-N 3.04Å; K192-Y195 PolarHBondContact O-N 2.96Å; Y195-V197 PolarHBondContact O-N 2.93Å; Y195-L198 WeakPolarHBondContact O-CA 3.49Å; Y195-L198 PolarHBondContact O-N 2.93Å; Y195-E199 HydrophobicContact CD1-CB 4.26Å; Y195-E199 HydrophobicContact CE1-CB 3.86Å; Y195-E199 HydrophobicContact CE1-CG 4.21Å; Y195-E199 WeakPolarHBondContact CE1-OE1 3.43Å; Y195-E199 PolarHBondContact O-N 3.4Å; Y195-R222 HydrophobicContact CD1-CB 4.24Å; Y195-R222 VanDerWaalsContact CD1-CD 3.45Å; Y195-R222 HydrophobicContact CD1-CG 3.73Å; Y195-R222 HydrophobicContact CD2-CB 4.45Å; Y195-R222 HydrophobicContact CD2-CG 3.79Å; Y195-R222 HydrophobicContact CE1-CB 3.67Å; Y195-R222 HydrophobicContact CE1-CG 3.69Å; Y195-R222 HydrophobicContact CE2-CB 3.91Å; Y195-R222 HydrophobicContact CE2-CG 3.75Å; Y195-R222 HydrophobicContact CG-CG 3.77Å; Y195-R222 VanDerWaalsContact CZ-CB 3.49Å; Y195-R222 WeakPolarHBondContact OH-CA 3.26Å; Y195-I225 HydrophobicContact CE2-CB 4.29Å; Y195-I225 HydrophobicContact CE2-CD1 4.05Å; Y195-I225 HydrophobicContact CE2-CG2 4.25Å
196	E	81.3	Confident	82	Confident	44 Å²	44	46.7 Å²	46.7	21%	0.206	22%	0.224	C	C	.	.	H	α-helix	trans	-62.3	-28.1	178.1	-74	178.8	127.8	0	0	112.6	K192 S193 E199 K200	K192-E196 WeakPolarHBondContact CE-OE1 3.39Å; K192-E196 WeakPolarHBondContact CE-OE2 3.49Å; K192-E196 HydrophobicContact CG-CG 4.3Å; K192-E196 WeakPolarHBondContact CG-OE2 3.45Å; K192-E196 IonicContact NZ-OE1 3.77Å; K192-E196 WeakPolarHBondContact O-CG 3.27Å; K192-E196 PolarHBondContact O-N 3.43Å; S193-E196 PolarHBondContact O-N 2.8Å; E196-E199 PolarHBondContact O-N 3.28Å; E196-K200 PolarHBondContact O-N 3.08Å; E196-K200 IonicContact OE1-NZ 2.61Å; E196-K200 PolarHBondContact OE1-NZ 3.23Å
197	V	75.7	Confident	82	Confident	9 Å²	9	46.3 Å²	46.3	6%	0.055	22%	0.217	C	C	.	.	I	π-helix	trans	-67.3	-34.4	170	172.8	0	0	0	0	112.4	S193 N194 Y195 D201 V202 F597	S193-V197 WeakPolarHBondContact O-CG2 3.41Å; S193-V197 PolarHBondContact O-N 2.97Å; S193-V197 VanDerWaalsContact O-N 3.09Å; N194-V197 PolarHBondContact O-N 3.1Å; Y195-V197 PolarHBondContact O-N 2.93Å; V197-D201 HydrophobicContact CG1-CB 4.45Å; V197-D201 WeakPolarHBondContact O-CB 3.49Å; V197-V202 WeakPolarHBondContact O-CG2 3.39Å; V197-V202 PolarHBondContact O-N 3.42Å; V197-F597 HydrophobicContact CB-CD2 4.27Å; V197-F597 HydrophobicContact CB-CE2 4.36Å; V197-F597 HydrophobicContact CG1-CB 4.17Å; V197-F597 HydrophobicContact CG1-CD1 4.5Å; V197-F597 HydrophobicContact CG1-CD2 3.8Å; V197-F597 HydrophobicContact CG1-CE2 4.36Å; V197-F597 HydrophobicContact CG1-CG 3.89Å
198	L	76.9	Confident	82.1	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	20%	0.197	C	C	.	.	I	π-helix	trans	-73.2	-38	171.2	-65.1	-172	0	0	0	111.7	I177 Y181 L189 Y195 V202 G203 L204 F207 F597	I177-L198 HydrophobicContact CD1-CD1 4.16Å; I177-L198 HydrophobicContact CG1-CD1 4.44Å; I177-L198 HydrophobicContact CG2-CD1 3.88Å; Y181-L198 HydrophobicContact CD2-CD2 4.28Å; Y181-L198 HydrophobicContact CE2-CD2 3.67Å; L189-L198 HydrophobicContact CD1-CD1 4.14Å; L189-L198 HydrophobicContact CD2-CD1 3.59Å; L189-L198 HydrophobicContact CD2-CG 4.33Å; Y195-L198 WeakPolarHBondContact O-CA 3.49Å; Y195-L198 PolarHBondContact O-N 2.93Å; L198-V202 HydrophobicContact CD2-CB 4.47Å; L198-V202 HydrophobicContact CD2-CG2 4.23Å; L198-G203 CarbonylContact O-C 3.5Å; L198-G203 PolarHBondContact O-N 3.3Å; L198-L204 HydrophobicContact CB-CD2 4.17Å; L198-F207 HydrophobicContact CD2-CE2 4.42Å; L198-F597 HydrophobicContact CD2-CD1 4.05Å; L198-F597 HydrophobicContact CD2-CE1 3.98Å; L198-F597 HydrophobicContact CG-CE1 4.23Å
199	E	80.8	Confident	82.1	Confident	55 Å²	55	42.8 Å²	42.8	26%	0.257	20%	0.198	S	C	.	.	I	π-helix	trans	-72.4	-57.5	-172.8	-176.8	175.8	-120.2	0	0	113.6	Y195 E196 L204	Y195-E199 HydrophobicContact CD1-CB 4.26Å; Y195-E199 HydrophobicContact CE1-CB 3.86Å; Y195-E199 HydrophobicContact CE1-CG 4.21Å; Y195-E199 WeakPolarHBondContact CE1-OE1 3.43Å; Y195-E199 PolarHBondContact O-N 3.4Å; E196-E199 PolarHBondContact O-N 3.28Å; E199-L204 HydrophobicContact CG-CD1 4.44Å
200	K	71.9	Confident	81.5	Confident	140 Å²	140	49.3 Å²	49.3	61%	0.609	23%	0.227	S	C	*	.	I	π-helix	trans	-91.5	-27	-169.3	-58.8	175.5	-169.7	167.2	0	113.2	E196	E196-K200 PolarHBondContact O-N 3.08Å; E196-K200 IonicContact OE1-NZ 2.61Å; E196-K200 PolarHBondContact OE1-NZ 3.23Å
201	D	66.6	Low	81.3	Confident	47 Å²	47	47.7 Å²	47.7	25%	0.251	22%	0.224	S	C	.	.	I	π-helix	trans	-108.8	-55	-161	-96.4	-28.7	0	0	0	110.7	V197 T576 Y577 R599	V197-D201 HydrophobicContact CG1-CB 4.45Å; V197-D201 WeakPolarHBondContact O-CB 3.49Å; D201-T576 PolarHBondContact OD1-OG1 3.46Å; D201-Y577 VanDerWaalsContact O-CE1 3.25Å; D201-Y577 WeakPolarHBondContact O-CE1 3.44Å; D201-Y577 PolarHBondContact O-OH 3.41Å; D201-R599 IonicContact OD1-CZ 2.77Å; D201-R599 VanDerWaalsContact OD1-CZ 3.28Å; D201-R599 IonicContact OD1-NH1 3.43Å; D201-R599 PolarHBondContact OD1-NH1 2.92Å; D201-R599 IonicContact OD1-NH2 3.82Å; D201-R599 PolarHBondContact OD1-NH2 3.4Å; D201-R599 IonicContact OD2-CZ 3.05Å; D201-R599 IonicContact OD2-NE 2.82Å; D201-R599 IonicContact OD2-NH1 2.66Å; D201-R599 PolarHBondContact OD2-NH1 3.33Å; D201-R599 IonicContact OD2-NH2 3.78Å; D201-R599 PolarHBondContact OD2-NH2 2.97Å; D201-R599 VanDerWaalsContact OD2-NH2 3.09Å
202	V	74.1	Confident	81.4	Confident	9 Å²	9	45 Å²	45	6%	0.055	21%	0.212	C	C	.	.	I	π-helix	trans	-77.2	-37.3	172.9	177.4	0	0	0	0	111.8	Y181 V197 L198 R206 F207	Y181-V202 WeakPolarHBondContact OH-CG2 3.46Å; V197-V202 WeakPolarHBondContact O-CG2 3.39Å; V197-V202 PolarHBondContact O-N 3.42Å; L198-V202 HydrophobicContact CD2-CB 4.47Å; L198-V202 HydrophobicContact CD2-CG2 4.23Å; V202-R206 WeakPolarHBondContact O-CD 3.21Å; V202-R206 PolarHBondContact O-NE 3.27Å; V202-F207 HydrophobicContact CG1-CE2 3.68Å; V202-F207 HydrophobicContact CG1-CZ 3.82Å
203	G	74.4	Confident	81.3	Confident	17 Å²	17	41 Å²	41	18%	0.175	20%	0.197	C	C	.	.	I	π-helix	trans	84.5	117	-176.9	0	0	0	0	0	112.6	L198 K205 R206	L198-G203 CarbonylContact O-C 3.5Å; L198-G203 PolarHBondContact O-N 3.3Å; G203-K205 PolarHBondContact O-N 2.89Å; G203-K205 VanDerWaalsContact O-N 3.07Å; G203-R206 PolarHBondContact O-N 3.09Å; G203-R206 VanDerWaalsContact O-N 3.15Å
204	L	80.4	Confident	81.4	Confident	15 Å²	15	45.9 Å²	45.9	8%	0.079	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-59.6	-23.1	-178.4	-60.6	-175.6	0	0	0	114	L198 E199 R206 F207 F208 L213 L221 I225	L198-L204 HydrophobicContact CB-CD2 4.17Å; E199-L204 HydrophobicContact CG-CD1 4.44Å; L204-R206 PolarHBondContact O-N 3.17Å; L204-F207 PolarHBondContact O-N 3.42Å; L204-F208 HydrophobicContact CB-CD2 4.16Å; L204-F208 HydrophobicContact CD2-CE2 4.48Å; L204-F208 PolarHBondContact O-N 3.24Å; L204-L213 HydrophobicContact CB-CD1 4.12Å; L204-L213 HydrophobicContact CB-CD2 3.71Å; L204-L213 HydrophobicContact CD1-CD2 4.06Å; L204-L221 HydrophobicContact CD1-CD2 3.83Å; L204-I225 HydrophobicContact CD1-CD1 4.26Å
205	K	80.8	Confident	81.6	Confident	162 Å²	162	49 Å²	49	70%	0.704	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-57.1	-16.3	174.9	67.4	172.9	-175.9	173.5	0	114.8	G203 F207 L213	G203-K205 PolarHBondContact O-N 2.89Å; G203-K205 VanDerWaalsContact O-N 3.07Å; K205-F207 VanDerWaalsContact C-N 3.3Å; K205-L213 HydrophobicContact CB-CD1 4.25Å
206	R	79.9	Confident	81.7	Confident	95 Å²	95	50 Å²	50	36%	0.358	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-76.4	-17.9	173.6	-61.9	-170.3	-169.4	-92.7	2.1	113.4	E49 V202 G203 L204	E49-R206 IonicContact OE1-CZ 2.71Å; E49-R206 IonicContact OE1-NH1 3.53Å; E49-R206 PolarHBondContact OE1-NH1 3.38Å; E49-R206 IonicContact OE1-NH2 3.6Å; E49-R206 PolarHBondContact OE1-NH2 3.31Å; V202-R206 WeakPolarHBondContact O-CD 3.21Å; V202-R206 PolarHBondContact O-NE 3.27Å; G203-R206 PolarHBondContact O-N 3.09Å; G203-R206 VanDerWaalsContact O-N 3.15Å; L204-R206 PolarHBondContact O-N 3.17Å
207	F	88.4	Confident	82.2	Confident	13 Å²	13	56.2 Å²	56.2	6%	0.057	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-29.4	-171.1	-52.9	-60.8	0	0	0	113.1	G173 E176 I177 Y181 L198 V202 L204 K205	G173-F207 WeakPolarHBondContact CA-O 3.45Å; E176-F207 HydrophobicContact CB-CD1 4.23Å; E176-F207 HydrophobicContact CG-CD1 3.61Å; E176-F207 HydrophobicContact CG-CE1 3.91Å; I177-F207 HydrophobicContact CD1-CB 4.26Å; I177-F207 HydrophobicContact CD1-CD2 4.11Å; I177-F207 HydrophobicContact CD1-CG 4.06Å; I177-F207 HydrophobicContact CG1-CB 4.16Å; I177-F207 HydrophobicContact CG1-CD1 3.66Å; I177-F207 HydrophobicContact CG1-CD2 3.83Å; I177-F207 HydrophobicContact CG1-CE1 3.97Å; I177-F207 HydrophobicContact CG1-CE2 4.13Å; I177-F207 HydrophobicContact CG1-CG 3.59Å; I177-F207 HydrophobicContact CG1-CZ 4.21Å; Y181-F207 HydrophobicContact CE2-CE1 4.47Å; Y181-F207 AromaticContact CE2-CZ 3.82Å; Y181-F207 HydrophobicContact CE2-CZ 3.82Å; L198-F207 HydrophobicContact CD2-CE2 4.42Å; V202-F207 HydrophobicContact CG1-CE2 3.68Å; V202-F207 HydrophobicContact CG1-CZ 3.82Å; L204-F207 PolarHBondContact O-N 3.42Å; K205-F207 VanDerWaalsContact C-N 3.3Å
208	F	90.6	Very high	82.6	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.009	30%	0.295	C	S	.	.	S	Bend	trans	-130.5	144.6	-170	-58.5	-71.1	0	0	0	111.5	L170 I177 L204 L212 L213 I225	L170-F208 HydrophobicContact CD2-CE1 4.27Å; I177-F208 HydrophobicContact CD1-CE2 3.77Å; I177-F208 HydrophobicContact CD1-CZ 3.78Å; L204-F208 HydrophobicContact CB-CD2 4.16Å; L204-F208 HydrophobicContact CD2-CE2 4.48Å; L204-F208 PolarHBondContact O-N 3.24Å; F208-L212 HydrophobicContact CB-CD2 4.2Å; F208-L212 HydrophobicContact CD1-CD2 3.9Å; F208-L212 HydrophobicContact CG-CD2 4.32Å; F208-L213 HydrophobicContact CB-CD2 3.94Å; F208-L213 HydrophobicContact CB-CG 4.21Å; F208-I225 HydrophobicContact CD2-CD1 4.22Å; F208-I225 HydrophobicContact CE1-CG1 4.44Å; F208-I225 HydrophobicContact CE2-CD1 3.55Å; F208-I225 HydrophobicContact CE2-CG1 4.04Å; F208-I225 HydrophobicContact CZ-CD1 3.84Å; F208-I225 HydrophobicContact CZ-CG1 3.77Å; F208-I225 HydrophobicContact CZ-CG2 4.37Å
209	P	87.6	Confident	83.3	Confident	3 Å²	3	67 Å²	67	2%	0.019	33%	0.332	C	S	.	.			trans	-65.6	156.9	176.7	28.1	-35.5	0	0	0	112.1	A161 D162 A169 S211 L212 L213	A161-P209 VanDerWaalsContact C-CB 3.49Å; A161-P209 HydrophobicContact CB-CB 3.89Å; A161-P209 HydrophobicContact CB-CG 4.4Å; A161-P209 VanDerWaalsContact O-CB 3.26Å; A161-P209 WeakPolarHBondContact O-CB 3.4Å; A161-P209 WeakPolarHBondContact O-CG 3.45Å; D162-P209 WeakPolarHBondContact OD1-CB 3.38Å; A169-P209 HydrophobicContact CB-CG 3.78Å; P209-S211 VanDerWaalsContact C-N 3.35Å; P209-S211 PolarHBondContact O-N 2.85Å; P209-L212 HydrophobicContact CG-CB 3.94Å; P209-L212 PolarHBondContact O-N 3.42Å; P209-L213 WeakPolarHBondContact O-CG 3.44Å; P209-L213 PolarHBondContact O-N 3.07Å
210	K	80.1	Confident	84	Confident	140 Å²	140	67.9 Å²	67.9	61%	0.609	34%	0.342	S	S	*	.	H	α-helix	trans	-65.2	-39.4	-176.2	-177.3	179	172.9	-174.1	0	111.5	D162 L212 L213 D214	D162-K210 PolarHBondContact OD1-N 3Å; K210-L212 VanDerWaalsContact C-N 3.26Å; K210-L212 PolarHBondContact O-N 2.87Å; K210-L213 PolarHBondContact O-N 3.36Å; K210-L213 VanDerWaalsContact O-N 3.09Å; K210-D214 WeakPolarHBondContact CE-OD2 3.02Å; K210-D214 WeakPolarHBondContact CG-OD2 3.46Å; K210-D214 WeakPolarHBondContact O-CB 3.44Å; K210-D214 PolarHBondContact O-N 2.87Å
211	S	86.8	Confident	85	Confident	46 Å²	46	61.5 Å²	61.5	32%	0.322	31%	0.314	S	S	.	.	H	α-helix	trans	-57.8	-37.4	179.4	71.5	0	0	0	0	112.5	D162 P209 S215	D162-S211 WeakPolarHBondContact CA-OG 3.11Å; D162-S211 PolarHBondContact O-OG 3.05Å; D162-S211 WeakPolarHBondContact OD1-CB 3.49Å; D162-S211 PolarHBondContact OD1-N 3.31Å; D162-S211 PolarHBondContact OD1-OG 3.49Å; P209-S211 VanDerWaalsContact C-N 3.35Å; P209-S211 PolarHBondContact O-N 2.85Å; S211-S215 WeakPolarHBondContact O-CB 3.37Å; S211-S215 PolarHBondContact O-N 3.17Å; S211-S215 PolarHBondContact O-OG 3.33Å
212	L	89.7	Confident	86.3	Confident	1 Å²	1	62 Å²	62	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-71.5	-40.9	175.1	177.5	61.4	0	0	0	112.3	Q166 A169 L170 F208 P209 K210 S215 V216 L221	Q166-L212 HydrophobicContact CB-CD1 4.03Å; Q166-L212 HydrophobicContact CG-CD1 4.13Å; A169-L212 HydrophobicContact CB-CD2 4.07Å; L170-L212 HydrophobicContact CD2-CD2 3.92Å; L170-L212 HydrophobicContact CG-CD1 4.35Å; L170-L212 HydrophobicContact CG-CD2 3.83Å; F208-L212 HydrophobicContact CB-CD2 4.2Å; F208-L212 HydrophobicContact CD1-CD2 3.9Å; F208-L212 HydrophobicContact CG-CD2 4.32Å; P209-L212 HydrophobicContact CG-CB 3.94Å; P209-L212 PolarHBondContact O-N 3.42Å; K210-L212 VanDerWaalsContact C-N 3.26Å; K210-L212 PolarHBondContact O-N 2.87Å; L212-S215 PolarHBondContact O-OG 3.19Å; L212-V216 HydrophobicContact CD1-CG2 4.07Å; L212-V216 PolarHBondContact O-N 3.24Å; L212-L221 HydrophobicContact CG-CD1 4.34Å
213	L	85.9	Confident	87.4	Confident	39 Å²	39	68 Å²	68	20%	0.204	34%	0.338	C	S	.	.	H	α-helix	trans	-69.5	-40.1	-179.1	-62.9	-179.6	0	0	0	112.4	L204 K205 F208 P209 K210 L221	L204-L213 HydrophobicContact CB-CD1 4.12Å; L204-L213 HydrophobicContact CB-CD2 3.71Å; L204-L213 HydrophobicContact CD1-CD2 4.06Å; K205-L213 HydrophobicContact CB-CD1 4.25Å; F208-L213 HydrophobicContact CB-CD2 3.94Å; F208-L213 HydrophobicContact CB-CG 4.21Å; P209-L213 WeakPolarHBondContact O-CG 3.44Å; P209-L213 PolarHBondContact O-N 3.07Å; K210-L213 PolarHBondContact O-N 3.36Å; K210-L213 VanDerWaalsContact O-N 3.09Å; L213-L221 HydrophobicContact CD2-CD2 3.6Å
214	D	83.7	Confident	88.5	Confident	120 Å²	120	69.9 Å²	69.9	64%	0.642	34%	0.344	S	S	*	.	H	α-helix	trans	-79.3	-30.4	-177.9	-70.3	-8.1	0	0	0	112.3	K210	K210-D214 WeakPolarHBondContact CE-OD2 3.02Å; K210-D214 WeakPolarHBondContact CG-OD2 3.46Å; K210-D214 WeakPolarHBondContact O-CB 3.44Å; K210-D214 PolarHBondContact O-N 2.87Å
215	S	90.1	Very high	89.3	Confident	70 Å²	70	69.2 Å²	69.2	49%	0.49	34%	0.34	S	S	.	.	H	α-helix	trans	-81.7	-22	-178.4	61.6	0	0	0	0	114.7	Q166 S211 L212	Q166-S215 PolarHBondContact NE2-OG 3.08Å; S211-S215 WeakPolarHBondContact O-CB 3.37Å; S211-S215 PolarHBondContact O-N 3.17Å; S211-S215 PolarHBondContact O-OG 3.33Å; L212-S215 PolarHBondContact O-OG 3.19Å
216	V	90.8	Very high	90.1	Very high	21 Å²	21	63 Å²	63	13%	0.127	31%	0.314	C	S	.	.	S	Bend	trans	-115	119.3	-174.5	-172.4	0	0	0	0	112.1	L212 A218 T220 L221 L224	L212-V216 HydrophobicContact CD1-CG2 4.07Å; L212-V216 PolarHBondContact O-N 3.24Å; V216-A218 PolarHBondContact O-N 3.13Å; V216-T220 HydrophobicContact CG1-CG2 3.98Å; V216-L221 HydrophobicContact CB-CB 4.25Å; V216-L221 HydrophobicContact CB-CD1 4.48Å; V216-L221 HydrophobicContact CG1-CB 3.85Å; V216-L224 HydrophobicContact CG1-CD1 4.12Å
217	K	91.3	Very high	90.9	Very high	176 Å²	176	64.5 Å²	64.5	77%	0.765	33%	0.325	S	S	*	.			trans	-52.4	130.3	175.2	-66.5	-177.8	179.2	178.1	0	111.5	K219 T220 L221	K217-K219 VanDerWaalsContact C-N 3.31Å; K217-K219 PolarHBondContact O-N 3.04Å; K217-T220 WeakPolarHBondContact O-CA 3.25Å; K217-T220 WeakPolarHBondContact O-CB 3.28Å; K217-T220 PolarHBondContact O-N 3.17Å; K217-L221 PolarHBondContact O-N 3.17Å
218	A	84.3	Confident	91.3	Very high	56 Å²	56	64.5 Å²	64.5	46%	0.463	33%	0.326	S	S	.	.	H	α-helix	trans	-45.4	-43.5	-173.3	0	0	0	0	0	115.7	V216 T220 L221 R222	V216-A218 PolarHBondContact O-N 3.13Å; A218-T220 VanDerWaalsContact C-N 3.3Å; A218-T220 PolarHBondContact O-N 3.13Å; A218-L221 PolarHBondContact O-N 3Å; A218-R222 WeakPolarHBondContact O-CB 3.45Å; A218-R222 PolarHBondContact O-N 2.98Å
219	K	91.2	Very high	91.6	Very high	179 Å²	179	64.6 Å²	64.6	78%	0.778	33%	0.326	S	S	*	.	H	α-helix	trans	-64	-32	177.6	-173.2	178.2	179.7	-178.5	0	113.3	K217	K217-K219 VanDerWaalsContact C-N 3.31Å; K217-K219 PolarHBondContact O-N 3.04Å
220	T	95.8	Very high	92	Very high	75 Å²	75	71.8 Å²	71.8	46%	0.46	35%	0.353	S	S	.	.	H	α-helix	trans	-79.2	-46.6	174.6	-56.3	0	0	0	0	110.3	V216 K217 A218 R222 K223 L224	V216-T220 HydrophobicContact CG1-CG2 3.98Å; K217-T220 WeakPolarHBondContact O-CA 3.25Å; K217-T220 WeakPolarHBondContact O-CB 3.28Å; K217-T220 PolarHBondContact O-N 3.17Å; A218-T220 VanDerWaalsContact C-N 3.3Å; A218-T220 PolarHBondContact O-N 3.13Å; T220-R222 VanDerWaalsContact C-N 3.28Å; T220-R222 PolarHBondContact O-N 3.22Å; T220-K223 WeakPolarHBondContact O-CB 3.27Å; T220-K223 PolarHBondContact O-N 2.83Å; T220-L224 HydrophobicContact CG2-CD1 4.38Å; T220-L224 PolarHBondContact O-N 2.04Å
221	L	92.6	Very high	92.8	Very high	6 Å²	6	70.8 Å²	70.8	3%	0.031	35%	0.351	C	S	.	.	H	α-helix	trans	-54.5	-44.7	176.9	-180	63.4	0	0	0	111.5	L170 L204 L212 L213 V216 K217 A218 K223 L224 I225	L170-L221 HydrophobicContact CD2-CD1 4.3Å; L204-L221 HydrophobicContact CD1-CD2 3.83Å; L212-L221 HydrophobicContact CG-CD1 4.34Å; L213-L221 HydrophobicContact CD2-CD2 3.6Å; V216-L221 HydrophobicContact CB-CB 4.25Å; V216-L221 HydrophobicContact CB-CD1 4.48Å; V216-L221 HydrophobicContact CG1-CB 3.85Å; K217-L221 PolarHBondContact O-N 3.17Å; A218-L221 PolarHBondContact O-N 3Å; L221-K223 VanDerWaalsContact C-N 3.32Å; L221-K223 PolarHBondContact O-N 2.83Å; L221-L224 PolarHBondContact O-N 3.02Å; L221-L224 VanDerWaalsContact O-N 3.16Å; L221-I225 HydrophobicContact CD1-CD1 4.02Å; L221-I225 HydrophobicContact CD1-CG1 4.28Å; L221-I225 HydrophobicContact CD2-CD1 4.47Å; L221-I225 HydrophobicContact CG-CD1 3.84Å; L221-I225 HydrophobicContact CG-CG1 4.47Å; L221-I225 WeakPolarHBondContact O-CG1 3.35Å; L221-I225 PolarHBondContact O-N 3.37Å
222	R	94.6	Very high	93.3	Very high	56 Å²	56	69 Å²	69	21%	0.211	34%	0.337	C	S	.	.	H	α-helix	trans	-53.9	-45.8	173.4	177.5	173.3	173.9	-144.4	-10.8	112.8	E190 K192 Y195 A218 T220 Q226	E190-R222 PolarHBondContact O-NH2 3.34Å; K192-R222 VanDerWaalsContact CA-NH2 3.28Å; Y195-R222 HydrophobicContact CD1-CB 4.24Å; Y195-R222 VanDerWaalsContact CD1-CD 3.45Å; Y195-R222 HydrophobicContact CD1-CG 3.73Å; Y195-R222 HydrophobicContact CD2-CB 4.45Å; Y195-R222 HydrophobicContact CD2-CG 3.79Å; Y195-R222 HydrophobicContact CE1-CB 3.67Å; Y195-R222 HydrophobicContact CE1-CG 3.69Å; Y195-R222 HydrophobicContact CE2-CB 3.91Å; Y195-R222 HydrophobicContact CE2-CG 3.75Å; Y195-R222 HydrophobicContact CG-CG 3.77Å; Y195-R222 VanDerWaalsContact CZ-CB 3.49Å; Y195-R222 WeakPolarHBondContact OH-CA 3.26Å; A218-R222 WeakPolarHBondContact O-CB 3.45Å; A218-R222 PolarHBondContact O-N 2.98Å; T220-R222 VanDerWaalsContact C-N 3.28Å; T220-R222 PolarHBondContact O-N 3.22Å; R222-Q226 HydrophobicContact CG-CG 4.37Å; R222-Q226 VanDerWaalsContact NE-NE2 3.18Å; R222-Q226 WeakPolarHBondContact O-CB 3.34Å; R222-Q226 WeakPolarHBondContact O-CG 3.4Å; R222-Q226 PolarHBondContact O-N 3.39Å
223	K	96.6	Very high	93.5	Very high	137 Å²	137	69.5 Å²	69.5	60%	0.596	34%	0.341	S	S	*	.	H	α-helix	trans	-65.2	-41.3	179.1	-74.8	-174	171.4	-167.9	0	111.6	T220 L221 Q226 Q227	T220-K223 WeakPolarHBondContact O-CB 3.27Å; T220-K223 PolarHBondContact O-N 2.83Å; L221-K223 VanDerWaalsContact C-N 3.32Å; L221-K223 PolarHBondContact O-N 2.83Å; K223-Q226 PolarHBondContact O-N 3.02Å; K223-Q227 VanDerWaalsContact O-CB 3.3Å; K223-Q227 WeakPolarHBondContact O-CB 3.48Å; K223-Q227 PolarHBondContact O-N 3.27Å
224	L	97.6	Very high	93.9	Very high	55 Å²	55	74.8 Å²	74.8	29%	0.288	37%	0.37	S	S	.	.	H	α-helix	trans	-62.1	-49.4	176.9	-65.4	173.9	0	0	0	111.1	L170 V216 T220 L221 Q226 Q227 T228	L170-L224 HydrophobicContact CD1-CB 4.05Å; L170-L224 HydrophobicContact CD1-CD1 4.24Å; L170-L224 HydrophobicContact CD2-CB 4.23Å; V216-L224 HydrophobicContact CG1-CD1 4.12Å; T220-L224 HydrophobicContact CG2-CD1 4.38Å; T220-L224 PolarHBondContact O-N 2.04Å; L221-L224 PolarHBondContact O-N 3.02Å; L221-L224 VanDerWaalsContact O-N 3.16Å; L224-Q226 PolarHBondContact O-N 3.09Å; L224-Q227 PolarHBondContact O-N 3.15Å; L224-T228 WeakPolarHBondContact O-CB 3.38Å; L224-T228 PolarHBondContact O-N 2.9Å; L224-T228 PolarHBondContact O-OG1 3.44Å; L224-T228 VanDerWaalsContact O-OG1 3.13Å
225	I	97.4	Very high	94.4	Very high	1 Å²	1	71 Å²	71	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-58.6	-46.5	176.2	-66.9	169.1	0	0	0	110.8	L170 Y195 L204 F208 L221 Q227 T228 F229	L170-I225 HydrophobicContact CD2-CG1 3.97Å; Y195-I225 HydrophobicContact CE2-CB 4.29Å; Y195-I225 HydrophobicContact CE2-CD1 4.05Å; Y195-I225 HydrophobicContact CE2-CG2 4.25Å; L204-I225 HydrophobicContact CD1-CD1 4.26Å; F208-I225 HydrophobicContact CD2-CD1 4.22Å; F208-I225 HydrophobicContact CE1-CG1 4.44Å; F208-I225 HydrophobicContact CE2-CD1 3.55Å; F208-I225 HydrophobicContact CE2-CG1 4.04Å; F208-I225 HydrophobicContact CZ-CD1 3.84Å; F208-I225 HydrophobicContact CZ-CG1 3.77Å; F208-I225 HydrophobicContact CZ-CG2 4.37Å; L221-I225 HydrophobicContact CD1-CD1 4.02Å; L221-I225 HydrophobicContact CD1-CG1 4.28Å; L221-I225 HydrophobicContact CD2-CD1 4.47Å; L221-I225 HydrophobicContact CG-CD1 3.84Å; L221-I225 HydrophobicContact CG-CG1 4.47Å; L221-I225 WeakPolarHBondContact O-CG1 3.35Å; L221-I225 PolarHBondContact O-N 3.37Å; I225-Q227 PolarHBondContact O-N 3.42Å; I225-T228 PolarHBondContact O-N 3.46Å; I225-F229 WeakPolarHBondContact O-CB 3.44Å; I225-F229 PolarHBondContact O-N 3Å
226	Q	96.3	Very high	94.5	Very high	33 Å²	33	70.9 Å²	70.9	15%	0.154	34%	0.343	C	S	.	.	H	α-helix	trans	-61.2	-41.9	177.3	-74.4	175.8	-31.1	0	0	112.8	L189 E190 R222 K223 L224 R230	L189-Q226 WeakPolarHBondContact O-CG 3.33Å; L189-Q226 PolarHBondContact O-NE2 3.17Å; E190-Q226 PolarHBondContact O-NE2 3.16Å; E190-Q226 VanDerWaalsContact O-NE2 3.16Å; R222-Q226 HydrophobicContact CG-CG 4.37Å; R222-Q226 VanDerWaalsContact NE-NE2 3.18Å; R222-Q226 WeakPolarHBondContact O-CB 3.34Å; R222-Q226 WeakPolarHBondContact O-CG 3.4Å; R222-Q226 PolarHBondContact O-N 3.39Å; K223-Q226 PolarHBondContact O-N 3.02Å; L224-Q226 PolarHBondContact O-N 3.09Å; Q226-R230 WeakPolarHBondContact O-CG 3.38Å; Q226-R230 PolarHBondContact O-N 3.09Å
227	Q	96.8	Very high	94.6	Very high	126 Å²	126	73.2 Å²	73.2	59%	0.589	35%	0.35	S	S	*	.	H	α-helix	trans	-69.3	-43.1	179.6	179.6	174.5	-15.8	0	0	112.1	K223 L224 I225	K223-Q227 VanDerWaalsContact O-CB 3.3Å; K223-Q227 WeakPolarHBondContact O-CB 3.48Å; K223-Q227 PolarHBondContact O-N 3.27Å; L224-Q227 PolarHBondContact O-N 3.15Å; I225-Q227 PolarHBondContact O-N 3.42Å
228	T	97.8	Very high	94.8	Very high	13 Å²	13	67.5 Å²	67.5	8%	0.08	33%	0.326	C	S	.	.	H	α-helix	trans	-70.7	-42.6	178.9	-59.6	0	0	0	0	111.5	L170 K171 C174 L224 I225 R230 Q231 F232	L170-T228 HydrophobicContact CB-CG2 4.49Å; K171-T228 HydrophobicContact CB-CG2 4.5Å; K171-T228 HydrophobicContact CG-CG2 3.87Å; C174-T228 HydrophobicContact CB-CG2 4.18Å; L224-T228 WeakPolarHBondContact O-CB 3.38Å; L224-T228 PolarHBondContact O-N 2.9Å; L224-T228 PolarHBondContact O-OG1 3.44Å; L224-T228 VanDerWaalsContact O-OG1 3.13Å; I225-T228 PolarHBondContact O-N 3.46Å; T228-R230 VanDerWaalsContact C-N 3.25Å; T228-R230 PolarHBondContact O-N 2.97Å; T228-Q231 WeakPolarHBondContact O-CB 3.48Å; T228-Q231 PolarHBondContact O-N 3.33Å; T228-F232 HydrophobicContact CG2-CE2 3.98Å
229	F	97.7	Very high	95.4	Very high	3 Å²	3	69 Å²	69	1%	0.013	32%	0.323	C	S	.	.	H	α-helix	trans	-59.4	-32.6	-179.8	-173.9	-96.9	0	0	0	113.4	C174 I177 R178 M184 G186 L189 I225 Q231 F232 A233	C174-F229 HydrophobicContact CB-CB 4.49Å; C174-F229 HydrophobicContact CB-CD2 4.33Å; I177-F229 HydrophobicContact CB-CE2 4.35Å; I177-F229 HydrophobicContact CG2-CD2 4.28Å; I177-F229 HydrophobicContact CG2-CE2 3.84Å; R178-F229 HydrophobicContact CB-CE2 3.87Å; R178-F229 HydrophobicContact CB-CZ 4.44Å; M184-F229 HydrophobicContact CE-CE1 3.99Å; M184-F229 HydrophobicContact CE-CE2 4.17Å; M184-F229 HydrophobicContact CE-CZ 3.45Å; M184-F229 VanDerWaalsContact CE-CZ 3.45Å; G186-F229 WeakPolarHBondContact O-CE1 3.46Å; L189-F229 HydrophobicContact CD1-CB 4.29Å; L189-F229 HydrophobicContact CD1-CD1 3.86Å; L189-F229 HydrophobicContact CD1-CD2 3.81Å; L189-F229 HydrophobicContact CD1-CE1 4.09Å; L189-F229 HydrophobicContact CD1-CE2 4.05Å; L189-F229 HydrophobicContact CD1-CG 3.71Å; L189-F229 HydrophobicContact CD1-CZ 4.19Å; L189-F229 HydrophobicContact CG-CD1 4.28Å; L189-F229 HydrophobicContact CG-CE1 4.28Å; I225-F229 WeakPolarHBondContact O-CB 3.44Å; I225-F229 PolarHBondContact O-N 3Å; F229-Q231 PolarHBondContact O-N 2.88Å; F229-Q231 VanDerWaalsContact O-N 3.13Å; F229-F232 CarbonylContact O-C 3.59Å; F229-F232 PolarHBondContact O-N 2.86Å; F229-A233 HydrophobicContact CE1-CB 4.48Å; F229-A233 PolarHBondContact O-N 3.29Å
230	R	95.9	Very high	95.7	Very high	155 Å²	155	60.5 Å²	60.5	59%	0.585	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-29.8	175.4	-77.3	170.9	174.9	172	-3.2	113.6	E190 Q226 T228 F232	E190-R230 IonicContact OE1-CZ 3.59Å; E190-R230 IonicContact OE1-NE 3.63Å; E190-R230 PolarHBondContact OE1-NE 2.6Å; E190-R230 IonicContact OE1-NH2 3.62Å; E190-R230 PolarHBondContact OE1-NH2 2.98Å; Q226-R230 WeakPolarHBondContact O-CG 3.38Å; Q226-R230 PolarHBondContact O-N 3.09Å; T228-R230 VanDerWaalsContact C-N 3.25Å; T228-R230 PolarHBondContact O-N 2.97Å; R230-F232 VanDerWaalsContact C-N 3.27Å; R230-F232 PolarHBondContact O-N 3.08Å
231	Q	96.5	Very high	95.8	Very high	119 Å²	119	57 Å²	57	56%	0.556	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-26.7	178.1	-56.8	175	32.3	0	0	112.3	T228 F229	T228-Q231 WeakPolarHBondContact O-CB 3.48Å; T228-Q231 PolarHBondContact O-N 3.33Å; F229-Q231 PolarHBondContact O-N 2.88Å; F229-Q231 VanDerWaalsContact O-N 3.13Å
232	F	97.2	Very high	96.1	Very high	9 Å²	9	59.5 Å²	59.5	4%	0.039	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-1.5	-175.3	-49.9	-54.1	0	0	0	113.1	K171 C174 L175 R178 T228 F229 R230 N234 L235 K243 I247	K171-F232 HydrophobicContact CB-CE2 4.18Å; K171-F232 HydrophobicContact CB-CZ 4.19Å; K171-F232 HydrophobicContact CG-CE2 4.15Å; K171-F232 HydrophobicContact CG-CZ 4.05Å; C174-F232 HydrophobicContact CB-CD2 3.91Å; C174-F232 HydrophobicContact CB-CE2 4.25Å; L175-F232 HydrophobicContact CD1-CE1 4.46Å; L175-F232 HydrophobicContact CD1-CZ 4.38Å; L175-F232 HydrophobicContact CD2-CB 4Å; L175-F232 HydrophobicContact CD2-CD1 3.64Å; L175-F232 HydrophobicContact CD2-CD2 4.12Å; L175-F232 HydrophobicContact CD2-CE1 4.12Å; L175-F232 HydrophobicContact CD2-CG 3.63Å; L175-F232 HydrophobicContact CG-CD1 4.23Å; L175-F232 HydrophobicContact CG-CD2 4.02Å; L175-F232 HydrophobicContact CG-CE1 4.35Å; L175-F232 HydrophobicContact CG-CE2 4.14Å; L175-F232 HydrophobicContact CG-CG 4.06Å; L175-F232 HydrophobicContact CG-CZ 4.3Å; R178-F232 VanDerWaalsContact CD-O 3.27Å; R178-F232 WeakPolarHBondContact CD-O 3.26Å; R178-F232 WeakPolarHBondContact CG-O 3.27Å; T228-F232 HydrophobicContact CG2-CE2 3.98Å; F229-F232 CarbonylContact O-C 3.59Å; F229-F232 PolarHBondContact O-N 2.86Å; R230-F232 VanDerWaalsContact C-N 3.27Å; R230-F232 PolarHBondContact O-N 3.08Å; F232-N234 PolarHBondContact O-N 3.23Å; F232-L235 HydrophobicContact CB-CD1 4.1Å; F232-L235 HydrophobicContact CB-CG 4.46Å; F232-L235 HydrophobicContact CD1-CD1 3.94Å; F232-L235 HydrophobicContact CG-CD1 4.46Å; F232-L235 WeakPolarHBondContact O-CB 3.04Å; F232-L235 PolarHBondContact O-N 3.21Å; F232-K243 HydrophobicContact CD1-CG 4.47Å; F232-K243 HydrophobicContact CE1-CG 4.15Å; F232-I247 HydrophobicContact CE1-CD1 4.4Å; F232-I247 HydrophobicContact CZ-CD1 4.12Å
233	A	93.5	Very high	96.3	Very high	10 Å²	10	60 Å²	60	8%	0.083	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-30	-171.5	0	0	0	0	0	115.4	R178 G186 F229	R178-A233 PolarHBondContact NE-O 3.02Å; G186-A233 WeakPolarHBondContact CA-O 3.45Å; F229-A233 HydrophobicContact CE1-CB 4.48Å; F229-A233 PolarHBondContact O-N 3.29Å
234	N	93.8	Very high	96.4	Very high	151 Å²	151	53.6 Å²	53.6	81%	0.807	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-6.1	-176.5	-63	-23.2	0	0	0	113.9	F232	F232-N234 PolarHBondContact O-N 3.23Å
235	L	95.5	Very high	96.4	Very high	41 Å²	41	51.1 Å²	51.1	22%	0.215	24%	0.24	C	C	.	.			trans	-69.3	143.9	-176.7	-58.3	-175	0	0	0	111.3	L175 R178 F232 E239 K243	L175-L235 HydrophobicContact CD2-CD1 3.86Å; R178-L235 HydrophobicContact CG-CB 4.33Å; R178-L235 PolarHBondContact NE-O 3.39Å; R178-L235 PolarHBondContact NH2-O 2.77Å; R178-L235 VanDerWaalsContact NH2-O 3.09Å; F232-L235 HydrophobicContact CB-CD1 4.1Å; F232-L235 HydrophobicContact CB-CG 4.46Å; F232-L235 HydrophobicContact CD1-CD1 3.94Å; F232-L235 HydrophobicContact CG-CD1 4.46Å; F232-L235 WeakPolarHBondContact O-CB 3.04Å; F232-L235 PolarHBondContact O-N 3.21Å; L235-E239 WeakPolarHBondContact CA-OE2 3.39Å; L235-E239 HydrophobicContact CB-CB 4.08Å; L235-E239 HydrophobicContact CD2-CB 4.16Å; L235-K243 HydrophobicContact CD1-CB 4.24Å; L235-K243 HydrophobicContact CD1-CG 4.36Å
236	N	92.4	Very high	96.4	Very high	67 Å²	67	56.3 Å²	56.3	36%	0.358	26%	0.264	S	S	.	.			trans	-80.9	177.6	167.2	81.3	55.2	0	0	0	110.7	E238 E239 S240	N236-E238 PolarHBondContact O-N 3.24Å; N236-E238 WeakPolarHBondContact OD1-CA 3.49Å; N236-E238 VanDerWaalsContact OD1-CB 3.3Å; N236-E238 WeakPolarHBondContact OD1-CB 3.35Å; N236-E238 PolarHBondContact OD1-N 2.81Å; N236-E239 PolarHBondContact N-OE2 3.43Å; N236-E239 WeakPolarHBondContact ND2-CG 3.47Å; N236-E239 PolarHBondContact ND2-OE1 3.24Å; N236-E239 PolarHBondContact ND2-OE2 3.47Å; N236-E239 VanDerWaalsContact ND2-OE2 3.12Å; N236-E239 PolarHBondContact OD1-N 2.94Å; N236-S240 WeakPolarHBondContact O-CB 3.17Å; N236-S240 PolarHBondContact O-N 3.07Å; N236-S240 PolarHBondContact O-OG 3.37Å
237	R	91.3	Very high	96.5	Very high	70 Å²	70	56.1 Å²	56.1	26%	0.264	26%	0.264	S	S	.	.	H	α-helix	trans	-59.8	-43.8	-178.3	-75.3	-167.4	175.2	110.7	-11.4	113.4	R179 W182 S240 I241	R179-R237 HydrophobicContact CG-CB 4.39Å; R179-R237 HydrophobicContact CG-CG 4.45Å; W182-R237 HydrophobicContact CB-CG 3.74Å; W182-R237 HydrophobicContact CD2-CG 4.48Å; W182-R237 VanDerWaalsContact CE2-NH1 3.26Å; W182-R237 HydrophobicContact CG-CG 3.93Å; R237-S240 PolarHBondContact O-N 2.92Å; R237-I241 WeakPolarHBondContact O-CG1 3.36Å; R237-I241 PolarHBondContact O-N 3.3Å; R237-I241 VanDerWaalsContact O-N 3.11Å
238	E	95.3	Very high	96.6	Very high	56 Å²	56	50.1 Å²	50.1	26%	0.262	24%	0.236	S	C	.	.	H	α-helix	trans	-71	-47.1	-175.1	-164.5	172.5	116	0	0	110.4	T139 K142 L145 N236 S240 I241 L242	T139-E238 HydrophobicContact CG2-CG 4.35Å; K142-E238 VanDerWaalsContact CE-OE2 3.3Å; K142-E238 WeakPolarHBondContact CE-OE2 3.35Å; K142-E238 IonicContact NZ-OE2 3.41Å; K142-E238 PolarHBondContact NZ-OE2 2.81Å; L145-E238 HydrophobicContact CD2-CG 3.95Å; N236-E238 PolarHBondContact O-N 3.24Å; N236-E238 WeakPolarHBondContact OD1-CA 3.49Å; N236-E238 VanDerWaalsContact OD1-CB 3.3Å; N236-E238 WeakPolarHBondContact OD1-CB 3.35Å; N236-E238 PolarHBondContact OD1-N 2.81Å; E238-S240 VanDerWaalsContact C-N 3.27Å; E238-S240 PolarHBondContact O-N 2.94Å; E238-I241 WeakPolarHBondContact O-CB 3.35Å; E238-I241 PolarHBondContact O-N 2.9Å; E238-I241 VanDerWaalsContact O-N 3.1Å; E238-L242 WeakPolarHBondContact O-CG 3.45Å; E238-L242 PolarHBondContact O-N 3.36Å
239	E	97.3	Very high	96.5	Very high	88 Å²	88	51.3 Å²	51.3	41%	0.411	25%	0.245	S	C	.	.	H	α-helix	trans	-57.6	-39.5	172.1	-69.9	163.3	175.4	0	0	112.1	L235 N236 I241 L242 K243	L235-E239 WeakPolarHBondContact CA-OE2 3.39Å; L235-E239 HydrophobicContact CB-CB 4.08Å; L235-E239 HydrophobicContact CD2-CB 4.16Å; N236-E239 PolarHBondContact N-OE2 3.43Å; N236-E239 WeakPolarHBondContact ND2-CG 3.47Å; N236-E239 PolarHBondContact ND2-OE1 3.24Å; N236-E239 PolarHBondContact ND2-OE2 3.47Å; N236-E239 VanDerWaalsContact ND2-OE2 3.12Å; N236-E239 PolarHBondContact OD1-N 2.94Å; E239-I241 VanDerWaalsContact C-N 3.34Å; E239-I241 PolarHBondContact O-N 3.01Å; E239-L242 PolarHBondContact O-N 2.93Å; E239-K243 WeakPolarHBondContact O-CB 3.27Å; E239-K243 PolarHBondContact O-N 2.86Å
240	S	98	Very high	96.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.6	-36.5	177	-56.9	0	0	0	0	112.3	R178 N236 R237 E238 F244	R178-S240 WeakPolarHBondContact CG-OG 3.47Å; N236-S240 WeakPolarHBondContact O-CB 3.17Å; N236-S240 PolarHBondContact O-N 3.07Å; N236-S240 PolarHBondContact O-OG 3.37Å; R237-S240 PolarHBondContact O-N 2.92Å; E238-S240 VanDerWaalsContact C-N 3.27Å; E238-S240 PolarHBondContact O-N 2.94Å; S240-F244 WeakPolarHBondContact O-CB 3.38Å; S240-F244 PolarHBondContact O-N 2.73Å; S240-F244 VanDerWaalsContact O-N 3.09Å
241	I	98.3	Very high	96.4	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-68.3	-49	175.3	-71.5	168	0	0	0	110.6	L145 Y149 R179 R237 E238 E239 K243 F244 F245	L145-I241 HydrophobicContact CD1-CG2 3.78Å; L145-I241 HydrophobicContact CD2-CG2 4.34Å; L145-I241 HydrophobicContact CG-CG2 3.94Å; Y149-I241 HydrophobicContact CD1-CG1 4.27Å; Y149-I241 HydrophobicContact CD2-CB 4.04Å; Y149-I241 HydrophobicContact CD2-CG1 3.74Å; Y149-I241 HydrophobicContact CD2-CG2 3.75Å; Y149-I241 HydrophobicContact CE2-CG1 4.16Å; Y149-I241 HydrophobicContact CG-CB 4.43Å; Y149-I241 HydrophobicContact CG-CD1 4.3Å; Y149-I241 HydrophobicContact CG-CG1 3.78Å; Y149-I241 HydrophobicContact CG-CG2 4.08Å; R179-I241 HydrophobicContact CG-CD1 4.41Å; R179-I241 HydrophobicContact CG-CG1 4.08Å; R237-I241 WeakPolarHBondContact O-CG1 3.36Å; R237-I241 PolarHBondContact O-N 3.3Å; R237-I241 VanDerWaalsContact O-N 3.11Å; E238-I241 WeakPolarHBondContact O-CB 3.35Å; E238-I241 PolarHBondContact O-N 2.9Å; E238-I241 VanDerWaalsContact O-N 3.1Å; E239-I241 VanDerWaalsContact C-N 3.34Å; E239-I241 PolarHBondContact O-N 3.01Å; I241-K243 VanDerWaalsContact C-N 3.33Å; I241-K243 PolarHBondContact O-N 2.85Å; I241-F244 WeakPolarHBondContact O-CB 3.37Å; I241-F244 PolarHBondContact O-N 2.83Å; I241-F244 VanDerWaalsContact O-N 3.15Å; I241-F245 HydrophobicContact CG2-CD2 3.87Å; I241-F245 HydrophobicContact CG2-CE2 3.44Å; I241-F245 VanDerWaalsContact CG2-CE2 3.44Å; I241-F245 HydrophobicContact CG2-CZ 4.41Å; I241-F245 VanDerWaalsContact O-CD2 3.27Å; I241-F245 WeakPolarHBondContact O-CD2 3.43Å; I241-F245 PolarHBondContact O-N 3.26Å; I241-F245 VanDerWaalsContact O-N 3.12Å
242	L	98.2	Very high	96.3	Very high	59 Å²	59	48 Å²	48	31%	0.309	25%	0.248	S	C	.	.	H	α-helix	trans	-62.6	-41.6	179.4	-64.8	175.3	0	0	0	111.3	L135 T139 E238 E239 F244 F245 E246	L135-L242 HydrophobicContact CB-CD2 4.37Å; T139-L242 HydrophobicContact CG2-CD1 4.06Å; T139-L242 HydrophobicContact CG2-CD2 4.1Å; E238-L242 WeakPolarHBondContact O-CG 3.45Å; E238-L242 PolarHBondContact O-N 3.36Å; E239-L242 PolarHBondContact O-N 2.93Å; L242-F244 VanDerWaalsContact C-N 3.28Å; L242-F244 PolarHBondContact O-N 3.31Å; L242-F245 PolarHBondContact O-N 3.34Å; L242-E246 PolarHBondContact O-N 2.87Å
243	K	98.5	Very high	96.2	Very high	67 Å²	67	52.6 Å²	52.6	29%	0.291	27%	0.265	S	S	.	.	H	α-helix	trans	-67	-28.2	176.3	-164.5	53.1	158.6	-176.7	0	113.1	L175 F232 L235 E239 I241 E246 I247	L175-K243 HydrophobicContact CD1-CB 4.23Å; L175-K243 HydrophobicContact CD1-CG 4.12Å; L175-K243 HydrophobicContact CD2-CB 4.03Å; L175-K243 HydrophobicContact CD2-CG 4.14Å; F232-K243 HydrophobicContact CD1-CG 4.47Å; F232-K243 HydrophobicContact CE1-CG 4.15Å; L235-K243 HydrophobicContact CD1-CB 4.24Å; L235-K243 HydrophobicContact CD1-CG 4.36Å; E239-K243 WeakPolarHBondContact O-CB 3.27Å; E239-K243 PolarHBondContact O-N 2.86Å; I241-K243 VanDerWaalsContact C-N 3.33Å; I241-K243 PolarHBondContact O-N 2.85Å; K243-E246 HydrophobicContact CD-CB 4.37Å; K243-E246 WeakPolarHBondContact CD-OE2 3.25Å; K243-E246 WeakPolarHBondContact CE-OE2 3.41Å; K243-E246 IonicContact NZ-OE1 2.95Å; K243-E246 PolarHBondContact NZ-OE1 2.88Å; K243-E246 IonicContact NZ-OE2 3.85Å; K243-E246 PolarHBondContact NZ-OE2 2.92Å; K243-I247 HydrophobicContact CD-CD1 4.46Å; K243-I247 HydrophobicContact CG-CD1 4.23Å; K243-I247 VanDerWaalsContact O-CG1 3.31Å; K243-I247 WeakPolarHBondContact O-CG1 3.32Å; K243-I247 PolarHBondContact O-N 2.79Å
244	F	98.7	Very high	96.3	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.009	27%	0.267	C	S	.	.	H	α-helix	trans	-68.4	-46.4	173.2	179.3	-81	0	0	0	110.9	Y149 K153 Y156 L172 L175 S240 I241 L242 E246 I247 L248	Y149-F244 HydrophobicContact CD2-CD1 4.07Å; Y149-F244 HydrophobicContact CD2-CG 4.34Å; Y149-F244 HydrophobicContact CE2-CB 3.78Å; Y149-F244 AromaticContact CE2-CD1 3.6Å; Y149-F244 HydrophobicContact CE2-CD1 3.6Å; Y149-F244 AromaticContact CE2-CD2 3.85Å; Y149-F244 HydrophobicContact CE2-CD2 3.85Å; Y149-F244 HydrophobicContact CE2-CE1 4.07Å; Y149-F244 HydrophobicContact CE2-CE2 4.29Å; Y149-F244 AromaticContact CE2-CG 3.49Å; Y149-F244 HydrophobicContact CE2-CG 3.49Å; Y149-F244 VanDerWaalsContact CE2-CG 3.49Å; Y149-F244 HydrophobicContact CE2-CZ 4.41Å; K153-F244 HydrophobicContact CB-CE1 4.34Å; K153-F244 HydrophobicContact CB-CZ 3.92Å; K153-F244 HydrophobicContact CG-CE2 4.2Å; K153-F244 HydrophobicContact CG-CZ 3.85Å; Y156-F244 HydrophobicContact CD1-CZ 4.38Å; L172-F244 HydrophobicContact CB-CD2 4.06Å; L172-F244 HydrophobicContact CB-CE2 3.78Å; L172-F244 HydrophobicContact CD2-CB 4.44Å; L172-F244 HydrophobicContact CD2-CD1 4.36Å; L172-F244 HydrophobicContact CD2-CD2 3.51Å; L172-F244 HydrophobicContact CD2-CE2 3.76Å; L172-F244 HydrophobicContact CD2-CG 3.82Å; L172-F244 HydrophobicContact CD2-CZ 4.27Å; L172-F244 HydrophobicContact CG-CD2 4.35Å; L172-F244 HydrophobicContact CG-CE2 4.23Å; L175-F244 HydrophobicContact CB-CD2 4.47Å; L175-F244 HydrophobicContact CD1-CB 4.17Å; S240-F244 WeakPolarHBondContact O-CB 3.38Å; S240-F244 PolarHBondContact O-N 2.73Å; S240-F244 VanDerWaalsContact O-N 3.09Å; I241-F244 WeakPolarHBondContact O-CB 3.37Å; I241-F244 PolarHBondContact O-N 2.83Å; I241-F244 VanDerWaalsContact O-N 3.15Å; L242-F244 VanDerWaalsContact C-N 3.28Å; L242-F244 PolarHBondContact O-N 3.31Å; F244-E246 VanDerWaalsContact C-N 3.35Å; F244-E246 PolarHBondContact O-N 3.02Å; F244-I247 PolarHBondContact O-N 2.95Å; F244-L248 HydrophobicContact CD1-CD2 4.29Å; F244-L248 HydrophobicContact CE1-CD2 3.55Å; F244-L248 HydrophobicContact CZ-CD2 4.15Å; F244-L248 VanDerWaalsContact O-CB 3.26Å; F244-L248 WeakPolarHBondContact O-CB 3.25Å; F244-L248 PolarHBondContact O-N 2.66Å
245	F	98.5	Very high	96.4	Very high	2 Å²	2	47 Å²	47	1%	0.009	23%	0.233	C	C	.	.	H	α-helix	trans	-63.4	-38.8	175.2	-68.6	-55.8	0	0	0	112.7	L135 L145 F148 Y149 V152 I241 L242 I247 L248 S249 F254	L135-F245 HydrophobicContact CD1-CB 4.14Å; L135-F245 HydrophobicContact CD2-CB 4.48Å; L135-F245 HydrophobicContact CD2-CD2 3.47Å; L135-F245 VanDerWaalsContact CD2-CD2 3.47Å; L135-F245 HydrophobicContact CD2-CE2 3.72Å; L135-F245 HydrophobicContact CD2-CG 4.03Å; L135-F245 HydrophobicContact CD2-CZ 4.46Å; L145-F245 HydrophobicContact CD1-CE2 4.18Å; F148-F245 AromaticContact CD1-CE1 3.86Å; F148-F245 HydrophobicContact CD1-CE1 3.86Å; F148-F245 HydrophobicContact CD1-CE2 4.24Å; F148-F245 AromaticContact CD1-CZ 3.44Å; F148-F245 HydrophobicContact CD1-CZ 3.44Å; F148-F245 VanDerWaalsContact CD1-CZ 3.44Å; F148-F245 AromaticContact CE1-CE1 3.85Å; F148-F245 HydrophobicContact CE1-CE1 3.85Å; F148-F245 AromaticContact CE1-CZ 3.91Å; F148-F245 HydrophobicContact CE1-CZ 3.91Å; F148-F245 HydrophobicContact CG-CZ 4.39Å; Y149-F245 HydrophobicContact CD2-CZ 4.42Å; V152-F245 HydrophobicContact CB-CE1 3.93Å; V152-F245 HydrophobicContact CG1-CD1 4.43Å; V152-F245 HydrophobicContact CG1-CE1 3.99Å; V152-F245 HydrophobicContact CG2-CE1 4.08Å; I241-F245 HydrophobicContact CG2-CD2 3.87Å; I241-F245 HydrophobicContact CG2-CE2 3.44Å; I241-F245 VanDerWaalsContact CG2-CE2 3.44Å; I241-F245 HydrophobicContact CG2-CZ 4.41Å; I241-F245 VanDerWaalsContact O-CD2 3.27Å; I241-F245 WeakPolarHBondContact O-CD2 3.43Å; I241-F245 PolarHBondContact O-N 3.26Å; I241-F245 VanDerWaalsContact O-N 3.12Å; L242-F245 PolarHBondContact O-N 3.34Å; F245-I247 VanDerWaalsContact C-N 3.33Å; F245-I247 PolarHBondContact O-N 2.94Å; F245-L248 PolarHBondContact O-N 2.77Å; F245-S249 VanDerWaalsContact O-CB 3.28Å; F245-S249 WeakPolarHBondContact O-CB 3.28Å; F245-S249 PolarHBondContact O-N 3.43Å; F245-S249 PolarHBondContact O-OG 2.81Å; F245-S249 VanDerWaalsContact O-OG 3.06Å; F245-F254 HydrophobicContact CB-CZ 3.96Å; F245-F254 HydrophobicContact CD1-CD2 4.41Å; F245-F254 HydrophobicContact CD1-CE1 4.01Å; F245-F254 AromaticContact CD1-CE2 3.69Å; F245-F254 HydrophobicContact CD1-CE2 3.69Å; F245-F254 AromaticContact CD1-CZ 3.47Å; F245-F254 HydrophobicContact CD1-CZ 3.47Å; F245-F254 VanDerWaalsContact CD1-CZ 3.47Å; F245-F254 HydrophobicContact CE1-CE2 4.15Å; F245-F254 HydrophobicContact CE1-CZ 4.33Å; F245-F254 HydrophobicContact CG-CE2 4.45Å; F245-F254 HydrophobicContact CG-CZ 4.1Å
246	E	98.1	Very high	96.4	Very high	110 Å²	110	46.7 Å²	46.7	51%	0.514	23%	0.23	S	C	.	.	H	α-helix	trans	-57.6	-44.6	174.4	-168	-158.1	123	0	0	111.7	L242 K243 F244 S249 P250	L242-E246 PolarHBondContact O-N 2.87Å; K243-E246 HydrophobicContact CD-CB 4.37Å; K243-E246 WeakPolarHBondContact CD-OE2 3.25Å; K243-E246 WeakPolarHBondContact CE-OE2 3.41Å; K243-E246 IonicContact NZ-OE1 2.95Å; K243-E246 PolarHBondContact NZ-OE1 2.88Å; K243-E246 IonicContact NZ-OE2 3.85Å; K243-E246 PolarHBondContact NZ-OE2 2.92Å; F244-E246 VanDerWaalsContact C-N 3.35Å; F244-E246 PolarHBondContact O-N 3.02Å; E246-S249 PolarHBondContact O-OG 3.45Å; E246-P250 WeakPolarHBondContact O-CD 3.34Å
247	I	98.4	Very high	96.6	Very high	30 Å²	30	46 Å²	46	15%	0.154	22%	0.224	C	C	.	.	H	α-helix	trans	-78.9	-31.3	-177.8	-67.5	173.9	0	0	0	112.4	I168 K171 L172 L175 F232 K243 F244 F245 P250	I168-I247 HydrophobicContact CG2-CG2 4.21Å; K171-I247 HydrophobicContact CB-CD1 4.2Å; K171-I247 HydrophobicContact CB-CG2 4.41Å; K171-I247 HydrophobicContact CD-CD1 4.44Å; L172-I247 HydrophobicContact CD2-CB 4.01Å; L172-I247 HydrophobicContact CD2-CG2 3.81Å; L172-I247 HydrophobicContact CG-CG2 4.15Å; L175-I247 HydrophobicContact CD1-CD1 3.9Å; F232-I247 HydrophobicContact CE1-CD1 4.4Å; F232-I247 HydrophobicContact CZ-CD1 4.12Å; K243-I247 HydrophobicContact CD-CD1 4.46Å; K243-I247 HydrophobicContact CG-CD1 4.23Å; K243-I247 VanDerWaalsContact O-CG1 3.31Å; K243-I247 WeakPolarHBondContact O-CG1 3.32Å; K243-I247 PolarHBondContact O-N 2.79Å; F244-I247 PolarHBondContact O-N 2.95Å; F245-I247 VanDerWaalsContact C-N 3.33Å; F245-I247 PolarHBondContact O-N 2.94Å; I247-P250 WeakPolarHBondContact O-CD 3.47Å
248	L	98.1	Very high	96.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-82.4	-36.5	-177.4	-179.5	60.6	0	0	0	113.2	V152 Y156 I160 L172 F244 F245 V251 Y252 F254	V152-L248 HydrophobicContact CG1-CD2 3.56Å; Y156-L248 HydrophobicContact CD2-CD1 3.58Å; Y156-L248 HydrophobicContact CE2-CD1 4.19Å; Y156-L248 HydrophobicContact CG-CD1 4.21Å; I160-L248 HydrophobicContact CD1-CD1 4.34Å; L172-L248 HydrophobicContact CD1-CB 4.43Å; L172-L248 HydrophobicContact CD1-CD1 4.01Å; L172-L248 HydrophobicContact CD2-CB 4.16Å; F244-L248 HydrophobicContact CD1-CD2 4.29Å; F244-L248 HydrophobicContact CE1-CD2 3.55Å; F244-L248 HydrophobicContact CZ-CD2 4.15Å; F244-L248 VanDerWaalsContact O-CB 3.26Å; F244-L248 WeakPolarHBondContact O-CB 3.25Å; F244-L248 PolarHBondContact O-N 2.66Å; F245-L248 PolarHBondContact O-N 2.77Å; L248-V251 HydrophobicContact CD1-CG2 4.15Å; L248-V251 WeakPolarHBondContact O-CG2 3.45Å; L248-V251 PolarHBondContact O-N 3.47Å; L248-Y252 HydrophobicContact CD1-CD1 4.43Å; L248-Y252 HydrophobicContact CD1-CG 4.4Å; L248-Y252 HydrophobicContact CD2-CD1 4.26Å; L248-Y252 HydrophobicContact CG-CD1 4.38Å; L248-Y252 PolarHBondContact O-N 3.01Å; L248-F254 HydrophobicContact CB-CE1 4.27Å; L248-F254 HydrophobicContact CD2-CD1 4.06Å; L248-F254 HydrophobicContact CD2-CE1 4.28Å; L248-F254 HydrophobicContact CG-CD1 4.11Å; L248-F254 HydrophobicContact CG-CE1 4.14Å
249	S	95.7	Very high	96.7	Very high	37 Å²	37	44.1 Å²	44.1	26%	0.259	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.6	-172.1	60.5	0	0	0	0	116.7	F245 E246 V251	F245-S249 VanDerWaalsContact O-CB 3.28Å; F245-S249 WeakPolarHBondContact O-CB 3.28Å; F245-S249 PolarHBondContact O-N 3.43Å; F245-S249 PolarHBondContact O-OG 2.81Å; F245-S249 VanDerWaalsContact O-OG 3.06Å; E246-S249 PolarHBondContact O-OG 3.45Å; S249-V251 VanDerWaalsContact C-N 3.32Å; S249-V251 PolarHBondContact O-N 2.58Å
250	P	94.9	Very high	96.6	Very high	105 Å²	105	47.1 Å²	47.1	68%	0.682	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-22.3	175.5	-19.3	34	0	0	0	114.2	E246 I247	E246-P250 WeakPolarHBondContact O-CD 3.34Å; I247-P250 WeakPolarHBondContact O-CD 3.47Å
251	V	95.6	Very high	96.4	Very high	66 Å²	66	47.7 Å²	47.7	40%	0.4	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-12.6	-178	-60.9	0	0	0	0	113.5	V164 I168 L248 S249	V164-V251 HydrophobicContact CG1-CG2 4.28Å; I168-V251 HydrophobicContact CD1-CG1 3.75Å; I168-V251 HydrophobicContact CD1-CG2 4.47Å; I168-V251 HydrophobicContact CG2-CG2 4.41Å; L248-V251 HydrophobicContact CD1-CG2 4.15Å; L248-V251 WeakPolarHBondContact O-CG2 3.45Å; L248-V251 PolarHBondContact O-N 3.47Å; S249-V251 VanDerWaalsContact C-N 3.32Å; S249-V251 PolarHBondContact O-N 2.58Å
252	Y	95.6	Very high	96.2	Very high	37 Å²	37	48 Å²	48	15%	0.145	24%	0.243	C	C	.	.			trans	-146.7	117.6	179.5	-168.5	-118.9	0	0	0	111.2	D155 E159 I160 L248 F254	D155-Y252 HydrophobicContact CB-CE1 4.37Å; D155-Y252 WeakPolarHBondContact CB-OH 3.33Å; E159-Y252 VanDerWaalsContact CD-OH 3.28Å; E159-Y252 VanDerWaalsContact OE2-CE2 3.3Å; E159-Y252 WeakPolarHBondContact OE2-CE2 3.45Å; E159-Y252 PolarHBondContact OE2-OH 2.93Å; I160-Y252 HydrophobicContact CD1-CD2 3.57Å; I160-Y252 HydrophobicContact CD1-CE2 4.44Å; I160-Y252 HydrophobicContact CD1-CG 3.67Å; I160-Y252 HydrophobicContact CG1-CD2 4.12Å; I160-Y252 HydrophobicContact CG1-CG 4.49Å; I160-Y252 HydrophobicContact CG2-CD2 4.29Å; I160-Y252 HydrophobicContact CG2-CE2 4.45Å; L248-Y252 HydrophobicContact CD1-CD1 4.43Å; L248-Y252 HydrophobicContact CD1-CG 4.4Å; L248-Y252 HydrophobicContact CD2-CD1 4.26Å; L248-Y252 HydrophobicContact CG-CD1 4.38Å; L248-Y252 PolarHBondContact O-N 3.01Å; Y252-F254 VanDerWaalsContact C-N 3.34Å; Y252-F254 HydrophobicContact CD1-CB 3.82Å; Y252-F254 HydrophobicContact CD1-CD1 4.12Å; Y252-F254 HydrophobicContact CD1-CG 4.49Å; Y252-F254 HydrophobicContact CE1-CB 3.83Å; Y252-F254 VanDerWaalsContact O-CD1 3.26Å; Y252-F254 WeakPolarHBondContact O-CD1 3.45Å; Y252-F254 PolarHBondContact O-N 3.05Å; Y252-F254 VanDerWaalsContact O-N 3.13Å
253	R	94.3	Very high	96	Very high	105 Å²	105	46.2 Å²	46.2	40%	0.396	23%	0.234	S	C	.	.			trans	-89.2	70.5	-178.1	-59.1	-66.6	-70.1	126.7	10.4	110.4	D255 K256 E279	R253-D255 VanDerWaalsContact CZ-CG 3.5Å; R253-D255 IonicContact CZ-OD1 2.62Å; R253-D255 IonicContact CZ-OD2 3.88Å; R253-D255 IonicContact NE-OD1 3.03Å; R253-D255 IonicContact NH1-OD1 3.28Å; R253-D255 PolarHBondContact NH1-OD1 2.82Å; R253-D255 IonicContact NH1-OD2 3.62Å; R253-D255 PolarHBondContact NH1-OD2 3.01Å; R253-D255 IonicContact NH2-OD1 2.62Å; R253-D255 PolarHBondContact NH2-OD1 2.7Å; R253-D255 IonicContact NH2-OD2 3.3Å; R253-D255 PolarHBondContact NH2-OD2 3.22Å; R253-D255 PolarHBondContact O-N 3.18Å; R253-K256 HydrophobicContact CB-CG 4.23Å; R253-E279 IonicContact NH2-OE1 3.95Å; R253-E279 PolarHBondContact NH2-OE1 2.77Å
254	F	96.3	Very high	95.5	Very high	29 Å²	29	44.2 Å²	44.2	13%	0.127	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-2.3	178.1	56.6	-102	0	0	0	114.5	F134 F148 V152 F245 L248 Y252	F134-F254 HydrophobicContact CE2-CE2 4.23Å; F134-F254 HydrophobicContact CZ-CE2 4.07Å; F148-F254 AromaticContact CE1-CD2 3.97Å; F148-F254 HydrophobicContact CE1-CD2 3.97Å; F148-F254 HydrophobicContact CE1-CE2 4.12Å; F148-F254 AromaticContact CZ-CD2 3.91Å; F148-F254 HydrophobicContact CZ-CD2 3.91Å; F148-F254 HydrophobicContact CZ-CE2 4.47Å; V152-F254 HydrophobicContact CB-CB 4.44Å; V152-F254 HydrophobicContact CG1-CB 3.68Å; V152-F254 HydrophobicContact CG1-CD1 3.75Å; V152-F254 HydrophobicContact CG1-CD2 4.25Å; V152-F254 HydrophobicContact CG1-CE1 4.47Å; V152-F254 HydrophobicContact CG1-CG 3.62Å; V152-F254 HydrophobicContact CG2-CB 3.89Å; V152-F254 HydrophobicContact CG2-CD2 4.13Å; V152-F254 HydrophobicContact CG2-CG 4.1Å; F245-F254 HydrophobicContact CB-CZ 3.96Å; F245-F254 HydrophobicContact CD1-CD2 4.41Å; F245-F254 HydrophobicContact CD1-CE1 4.01Å; F245-F254 AromaticContact CD1-CE2 3.69Å; F245-F254 HydrophobicContact CD1-CE2 3.69Å; F245-F254 AromaticContact CD1-CZ 3.47Å; F245-F254 HydrophobicContact CD1-CZ 3.47Å; F245-F254 VanDerWaalsContact CD1-CZ 3.47Å; F245-F254 HydrophobicContact CE1-CE2 4.15Å; F245-F254 HydrophobicContact CE1-CZ 4.33Å; F245-F254 HydrophobicContact CG-CE2 4.45Å; F245-F254 HydrophobicContact CG-CZ 4.1Å; L248-F254 HydrophobicContact CB-CE1 4.27Å; L248-F254 HydrophobicContact CD2-CD1 4.06Å; L248-F254 HydrophobicContact CD2-CE1 4.28Å; L248-F254 HydrophobicContact CG-CD1 4.11Å; L248-F254 HydrophobicContact CG-CE1 4.14Å; Y252-F254 VanDerWaalsContact C-N 3.34Å; Y252-F254 HydrophobicContact CD1-CB 3.82Å; Y252-F254 HydrophobicContact CD1-CD1 4.12Å; Y252-F254 HydrophobicContact CD1-CG 4.49Å; Y252-F254 HydrophobicContact CE1-CB 3.83Å; Y252-F254 VanDerWaalsContact O-CD1 3.26Å; Y252-F254 WeakPolarHBondContact O-CD1 3.45Å; Y252-F254 PolarHBondContact O-N 3.05Å; Y252-F254 VanDerWaalsContact O-N 3.13Å
255	D	96.1	Very high	94.6	Very high	16 Å²	16	47.7 Å²	47.7	9%	0.086	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-0.7	-176.9	60	-33.6	0	0	0	113.5	L130 F134 R253 P277	L130-D255 HydrophobicContact CD1-CB 4.22Å; F134-D255 HydrophobicContact CE1-CB 3.93Å; F134-D255 HydrophobicContact CZ-CB 3.94Å; R253-D255 VanDerWaalsContact CZ-CG 3.5Å; R253-D255 IonicContact CZ-OD1 2.62Å; R253-D255 IonicContact CZ-OD2 3.88Å; R253-D255 IonicContact NE-OD1 3.03Å; R253-D255 IonicContact NH1-OD1 3.28Å; R253-D255 PolarHBondContact NH1-OD1 2.82Å; R253-D255 IonicContact NH1-OD2 3.62Å; R253-D255 PolarHBondContact NH1-OD2 3.01Å; R253-D255 IonicContact NH2-OD1 2.62Å; R253-D255 PolarHBondContact NH2-OD1 2.7Å; R253-D255 IonicContact NH2-OD2 3.3Å; R253-D255 PolarHBondContact NH2-OD2 3.22Å; R253-D255 PolarHBondContact O-N 3.18Å; D255-P277 WeakPolarHBondContact O-CD 3.17Å
256	K	94.9	Very high	93.7	Very high	34 Å²	34	52.5 Å²	52.5	15%	0.148	29%	0.29	C	S	.	.			trans	-150.4	155.2	178.2	67.6	-173.4	-164.9	173.9	0	112.7	R253 A274 I275 E279	R253-K256 HydrophobicContact CB-CG 4.23Å; K256-A274 HydrophobicContact CD-CB 4.32Å; K256-I275 WeakPolarHBondContact CA-O 3.42Å; K256-I275 WeakPolarHBondContact CB-O 3.33Å; K256-E279 VanDerWaalsContact CD-OE1 3.28Å; K256-E279 WeakPolarHBondContact CD-OE1 3.33Å; K256-E279 VanDerWaalsContact CD-OE2 3.27Å; K256-E279 WeakPolarHBondContact CD-OE2 3.41Å; K256-E279 WeakPolarHBondContact CE-OE1 3.2Å; K256-E279 IonicContact NZ-OE1 2.73Å; K256-E279 PolarHBondContact NZ-OE1 2.92Å; K256-E279 IonicContact NZ-OE2 2.6Å; K256-E279 PolarHBondContact NZ-OE2 3.36Å
257	E	95.9	Very high	93.1	Very high	52 Å²	52	58 Å²	58	24%	0.243	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	139.1	170.3	-67.9	-178.9	-142.5	0	0	110	R128 F259 I275 L344	R128-E257 VanDerWaalsContact CG-OE1 3.25Å; R128-E257 WeakPolarHBondContact CG-OE1 3.48Å; R128-E257 IonicContact CZ-OE1 3.41Å; R128-E257 IonicContact CZ-OE2 3.75Å; R128-E257 IonicContact NE-OE1 2.82Å; R128-E257 PolarHBondContact NE-OE1 2.87Å; R128-E257 IonicContact NE-OE2 2.88Å; R128-E257 IonicContact NH2-OE1 3.24Å; R128-E257 PolarHBondContact NH2-OE1 2.71Å; R128-E257 IonicContact NH2-OE2 2.73Å; R128-E257 PolarHBondContact NH2-OE2 2.93Å; E257-F259 HydrophobicContact CB-CE2 3.57Å; E257-F259 HydrophobicContact CB-CZ 3.85Å; E257-F259 WeakPolarHBondContact OE2-CZ 3.43Å; E257-I275 PolarHBondContact N-O 3.35Å; E257-I275 PolarHBondContact O-N 3.45Å; E257-L344 HydrophobicContact CB-CD2 3.85Å; E257-L344 HydrophobicContact CG-CD2 4.32Å
258	C	94.6	Very high	92.5	Very high	61 Å²	61	61.6 Å²	61.6	41%	0.412	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.2	179.4	-69.2	0	0	0	0	111.5	E272 L273	C258-E272 HydrophobicContact CB-CG 4.22Å; C258-L273 CarbonylContact C-O 3.55Å; C258-L273 WeakPolarHBondContact CA-O 3.2Å
259	F	95	Very high	92.1	Very high	25 Å²	25	66.9 Å²	66.9	11%	0.11	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	119	-175	-59.8	-87.6	0	0	0	112.1	E257 C261 E272 L273 I275 I337 M341 L344	E257-F259 HydrophobicContact CB-CE2 3.57Å; E257-F259 HydrophobicContact CB-CZ 3.85Å; E257-F259 WeakPolarHBondContact OE2-CZ 3.43Å; F259-C261 PolarHBondContact O-N 3.27Å; F259-C261 PolarHBondContact O-SG 3.14Å; F259-C261 VanDerWaalsContact O-SG 3.33Å; F259-E272 WeakPolarHBondContact O-CA 3.34Å; F259-L273 PolarHBondContact N-O 2.88Å; F259-L273 PolarHBondContact O-N 2.92Å; F259-I275 HydrophobicContact CD2-CD1 4.15Å; F259-I275 HydrophobicContact CE2-CD1 4.2Å; F259-I337 HydrophobicContact CD1-CG2 3.99Å; F259-M341 HydrophobicContact CB-CE 4.04Å; F259-M341 HydrophobicContact CB-CG 4.46Å; F259-M341 HydrophobicContact CB-SD 3.87Å; F259-M341 HydrophobicContact CD1-CG 3.57Å; F259-M341 HydrophobicContact CD1-SD 3.88Å; F259-M341 HydrophobicContact CD2-CE 4.35Å; F259-M341 HydrophobicContact CD2-CG 3.96Å; F259-M341 HydrophobicContact CD2-SD 4.39Å; F259-M341 HydrophobicContact CE1-CG 3.63Å; F259-M341 HydrophobicContact CE2-CG 4.02Å; F259-M341 HydrophobicContact CG-CE 4.17Å; F259-M341 HydrophobicContact CG-CG 3.73Å; F259-M341 HydrophobicContact CG-SD 3.79Å; F259-M341 HydrophobicContact CZ-CG 3.85Å; F259-L344 HydrophobicContact CE2-CD2 3.64Å; F259-L344 HydrophobicContact CZ-CD2 4.02Å
260	K	94.1	Very high	92	Very high	151 Å²	151	70.2 Å²	70.2	66%	0.657	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	117.3	169.2	-67	176.1	-175.5	167.3	0	109.5	E272 P333	K260-E272 VanDerWaalsContact CE-OE1 3.28Å; K260-E272 WeakPolarHBondContact CE-OE1 3.3Å; K260-E272 HydrophobicContact CG-CG 4.35Å; K260-P333 VanDerWaalsContact O-CD 3.31Å; K260-P333 WeakPolarHBondContact O-CD 3.37Å; K260-P333 WeakPolarHBondContact O-CG 3.4Å
261	C	94.3	Very high	91.9	Very high	12 Å²	12	66.1 Å²	66.1	8%	0.081	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	-169.4	-172.1	58.5	0	0	0	0	109.5	F259 S270 V271 L273 V330 T331	F259-C261 PolarHBondContact O-N 3.27Å; F259-C261 PolarHBondContact O-SG 3.14Å; F259-C261 VanDerWaalsContact O-SG 3.33Å; C261-S270 WeakPolarHBondContact O-CA 3.5Å; C261-V271 PolarHBondContact N-O 3.25Å; C261-V271 PolarHBondContact O-N 2.61Å; C261-L273 VanDerWaalsContact SG-CD1 3.56Å; C261-L273 VanDerWaalsContact SG-CG 3.57Å; C261-V330 HydrophobicContact CB-CG1 3.91Å; C261-T331 CarbonylContact C-O 3.6Å; C261-T331 WeakPolarHBondContact CA-O 3.4Å; C261-T331 WeakPolarHBondContact CB-O 3.37Å
262	A	93.8	Very high	91.8	Very high	9 Å²	9	65.9 Å²	65.9	7%	0.074	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	147	169.1	0	0	0	0	0	111.8	I268 I269 V330 T331	A262-I268 HydrophobicContact CB-CG2 3.37Å; A262-I269 CarbonylContact C-O 3.54Å; A262-I269 WeakPolarHBondContact CA-O 3.36Å; A262-I269 WeakPolarHBondContact CB-O 3.15Å; A262-V330 CarbonylContact O-C 3.56Å; A262-V330 WeakPolarHBondContact O-CA 3.47Å; A262-T331 PolarHBondContact N-O 2.97Å; A262-T331 PolarHBondContact O-N 2.88Å
263	L	93.9	Very high	91.8	Very high	21 Å²	21	64.3 Å²	64.3	11%	0.11	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	147.5	179.7	-58.8	179.7	0	0	0	111.3	I268 I269 V271 L273 Y283 L294 L328 T329 V330	L263-I268 CarbonylContact O-C 3.52Å; L263-I268 WeakPolarHBondContact O-CA 3.39Å; L263-I269 PolarHBondContact N-O 2.97Å; L263-I269 PolarHBondContact O-N 3.24Å; L263-V271 HydrophobicContact CD1-CG1 4.23Å; L263-V271 HydrophobicContact CD1-CG2 3.91Å; L263-V271 HydrophobicContact CD2-CG2 4.33Å; L263-V271 HydrophobicContact CG-CG1 4.42Å; L263-V271 HydrophobicContact CG-CG2 3.68Å; L263-L273 HydrophobicContact CD2-CD1 4.14Å; L263-L273 HydrophobicContact CD2-CD2 4.29Å; L263-L273 HydrophobicContact CD2-CG 4.34Å; L263-Y283 HydrophobicContact CD1-CD1 4.49Å; L263-Y283 HydrophobicContact CD1-CG 4.44Å; L263-L294 HydrophobicContact CD1-CD1 3.87Å; L263-L328 HydrophobicContact CD2-CD1 4.27Å; L263-T329 WeakPolarHBondContact CA-O 3.48Å; L263-V330 HydrophobicContact CD2-CB 4.34Å; L263-V330 HydrophobicContact CD2-CG1 4.19Å; L263-V330 HydrophobicContact CD2-CG2 3.75Å
264	G	89.1	Confident	91.9	Very high	24 Å²	24	59.3 Å²	59.3	25%	0.247	32%	0.318	C	S	.	.			trans	105.6	157.2	173.6	0	0	0	0	0	114.1	T329	G264-T329 PolarHBondContact N-O 2.74Å
265	S	80.2	Confident	91.9	Very high	76 Å²	76	57.9 Å²	57.9	53%	0.531	31%	0.312	S	S	.	.	S	Bend	trans	-98.4	-50.9	-179.5	49.5	0	0	0	0	112
266	S	79.2	Confident	92	Very high	103 Å²	103	57.2 Å²	57.2	72%	0.72	31%	0.308	S	S	*	.	S	Bend	trans	-98.8	-33	-179.8	-54.9	0	0	0	0	113.5
267	W	84.3	Confident	92	Very high	225 Å²	225	56.3 Å²	56.3	85%	0.852	31%	0.306	S	S	*	.	S	Bend	trans	-120.5	106.8	176.9	-67.1	97.4	0	0	0	108.2
268	I	86.3	Confident	91.9	Very high	106 Å²	106	58.1 Å²	58.1	54%	0.544	31%	0.314	S	S	.	.			trans	-93.5	117.6	-171.3	-61.2	177.1	0	0	0	109.5	A262 L263	A262-I268 HydrophobicContact CB-CG2 3.37Å; L263-I268 CarbonylContact O-C 3.52Å; L263-I268 WeakPolarHBondContact O-CA 3.39Å
269	I	90.6	Very high	91.7	Very high	111 Å²	111	56.7 Å²	56.7	57%	0.569	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	115	-179.3	-55.8	176.6	0	0	0	109.3	A262 L263 V271	A262-I269 CarbonylContact C-O 3.54Å; A262-I269 WeakPolarHBondContact CA-O 3.36Å; A262-I269 WeakPolarHBondContact CB-O 3.15Å; L263-I269 PolarHBondContact N-O 2.97Å; L263-I269 PolarHBondContact O-N 3.24Å; I269-V271 HydrophobicContact CG2-CG1 4.16Å; I269-V271 PolarHBondContact O-N 3.34Å
270	S	92.1	Very high	91.7	Very high	106 Å²	106	55.6 Å²	55.6	74%	0.741	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	129.7	174.5	-58.5	0	0	0	0	111.5	C261	C261-S270 WeakPolarHBondContact O-CA 3.5Å
271	V	93.2	Very high	91.9	Very high	20 Å²	20	48.5 Å²	48.5	12%	0.121	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	169.7	-179.8	-58.4	0	0	0	0	111.6	C261 L263 I269 L273 Y283	C261-V271 PolarHBondContact N-O 3.25Å; C261-V271 PolarHBondContact O-N 2.61Å; L263-V271 HydrophobicContact CD1-CG1 4.23Å; L263-V271 HydrophobicContact CD1-CG2 3.91Å; L263-V271 HydrophobicContact CD2-CG2 4.33Å; L263-V271 HydrophobicContact CG-CG1 4.42Å; L263-V271 HydrophobicContact CG-CG2 3.68Å; I269-V271 HydrophobicContact CG2-CG1 4.16Å; I269-V271 PolarHBondContact O-N 3.34Å; V271-L273 HydrophobicContact CG2-CG 4.26Å; V271-Y283 HydrophobicContact CB-CD2 4.28Å; V271-Y283 HydrophobicContact CG1-CD2 3.82Å; V271-Y283 HydrophobicContact CG1-CE2 4.47Å; V271-Y283 HydrophobicContact CG1-CG 4.41Å
272	E	94.4	Very high	92	Very high	61 Å²	61	48 Å²	48	29%	0.285	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	106.5	160.3	-170	159.8	-125.9	0	0	108	C258 F259 K260 Y283 L284	C258-E272 HydrophobicContact CB-CG 4.22Å; F259-E272 WeakPolarHBondContact O-CA 3.34Å; K260-E272 VanDerWaalsContact CE-OE1 3.28Å; K260-E272 WeakPolarHBondContact CE-OE1 3.3Å; K260-E272 HydrophobicContact CG-CG 4.35Å; E272-Y283 WeakPolarHBondContact O-CA 3.4Å; E272-L284 HydrophobicContact CB-CB 4.41Å; E272-L284 HydrophobicContact CB-CD1 4.48Å; E272-L284 HydrophobicContact CG-CD1 4.31Å; E272-L284 PolarHBondContact O-N 3.47Å
273	L	95.4	Very high	92	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.016	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	140.2	172.4	-84.7	176.1	0	0	0	109.2	C258 F259 C261 L263 V271 I281 S282 L294 V330 M341	C258-L273 CarbonylContact C-O 3.55Å; C258-L273 WeakPolarHBondContact CA-O 3.2Å; F259-L273 PolarHBondContact N-O 2.88Å; F259-L273 PolarHBondContact O-N 2.92Å; C261-L273 VanDerWaalsContact SG-CD1 3.56Å; C261-L273 VanDerWaalsContact SG-CG 3.57Å; L263-L273 HydrophobicContact CD2-CD1 4.14Å; L263-L273 HydrophobicContact CD2-CD2 4.29Å; L263-L273 HydrophobicContact CD2-CG 4.34Å; V271-L273 HydrophobicContact CG2-CG 4.26Å; L273-I281 HydrophobicContact CD2-CG2 4.25Å; L273-S282 CarbonylContact C-O 3.57Å; L273-S282 WeakPolarHBondContact CA-O 3.45Å; L273-S282 WeakPolarHBondContact CD2-O 2.99Å; L273-L294 HydrophobicContact CD2-CD1 3.77Å; L273-V330 HydrophobicContact CD1-CG1 3.72Å; L273-V330 HydrophobicContact CD1-CG2 4.08Å; L273-M341 HydrophobicContact CD1-CE 3.64Å
274	A	95.4	Very high	91.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125	172	0	0	0	0	0	108.6	K256 S282	K256-A274 HydrophobicContact CD-CB 4.32Å; A274-S282 PolarHBondContact N-O 3.33Å; A274-S282 PolarHBondContact O-N 3.36Å; A274-S282 VanDerWaalsContact O-O 3.12Å
275	I	97.9	Very high	91	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	117.9	-173.9	-57	175.8	0	0	0	109	K256 E257 F259 G280 F297 M341 L344 I345 Y348	K256-I275 WeakPolarHBondContact CA-O 3.42Å; K256-I275 WeakPolarHBondContact CB-O 3.33Å; E257-I275 PolarHBondContact N-O 3.35Å; E257-I275 PolarHBondContact O-N 3.45Å; F259-I275 HydrophobicContact CD2-CD1 4.15Å; F259-I275 HydrophobicContact CE2-CD1 4.2Å; I275-G280 WeakPolarHBondContact CA-O 3.4Å; I275-F297 HydrophobicContact CG2-CE1 3.8Å; I275-F297 HydrophobicContact CG2-CZ 3.71Å; I275-M341 HydrophobicContact CD1-CE 4.46Å; I275-L344 HydrophobicContact CB-CD2 3.78Å; I275-L344 HydrophobicContact CD1-CD2 4.2Å; I275-L344 HydrophobicContact CG2-CD2 3.66Å; I275-L344 HydrophobicContact CG2-CG 4.01Å; I275-I345 HydrophobicContact CD1-CD1 4.08Å; I275-I345 HydrophobicContact CD1-CG1 4.09Å; I275-I345 HydrophobicContact CG2-CG1 4.47Å; I275-Y348 HydrophobicContact CG2-CD2 4.24Å; I275-Y348 HydrophobicContact CG2-CE2 4.19Å
276	G	96.9	Very high	90.5	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	172.5	-176.4	0	0	0	0	0	113.9	E278 E279 G280 F297	G276-E278 PolarHBondContact O-N 2.99Å; G276-E279 PolarHBondContact O-N 3.49Å; G276-G280 PolarHBondContact N-O 3.01Å; G276-G280 WeakPolarHBondContact O-CA 3.47Å; G276-G280 PolarHBondContact O-N 3.43Å; G276-F297 WeakPolarHBondContact O-CE2 3.47Å
277	P	96.2	Very high	89.6	Confident	15 Å²	15	60.5 Å²	60.5	10%	0.097	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-28.3	-167.8	28.9	-34.9	0	0	0	114.4	L130 F134 D255 Y348	L130-P277 HydrophobicContact CB-CB 4.3Å; L130-P277 HydrophobicContact CB-CG 3.9Å; L130-P277 WeakPolarHBondContact O-CB 3.24Å; F134-P277 HydrophobicContact CD1-CG 4.25Å; F134-P277 HydrophobicContact CE1-CG 4.41Å; D255-P277 WeakPolarHBondContact O-CD 3.17Å; P277-Y348 HydrophobicContact CB-CE1 4.4Å
278	E	92.1	Very high	88.4	Confident	91 Å²	91	53.7 Å²	53.7	43%	0.425	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-22.4	-179	-55.3	-54.4	147.5	0	0	112.8	K132 G133 G276	K132-E278 WeakPolarHBondContact CE-OE2 3.37Å; K132-E278 WeakPolarHBondContact CG-OE1 3.48Å; K132-E278 IonicContact NZ-OE2 3.32Å; G133-E278 PolarHBondContact N-OE1 3.42Å; G276-E278 PolarHBondContact O-N 2.99Å
279	E	90.4	Very high	87.4	Confident	30 Å²	30	51.7 Å²	51.7	14%	0.14	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-15	-173.9	-62.9	174.8	-161.9	0	0	112.8	R253 K256 G276 S282 P291 H293	R253-E279 IonicContact NH2-OE1 3.95Å; R253-E279 PolarHBondContact NH2-OE1 2.77Å; K256-E279 VanDerWaalsContact CD-OE1 3.28Å; K256-E279 WeakPolarHBondContact CD-OE1 3.33Å; K256-E279 VanDerWaalsContact CD-OE2 3.27Å; K256-E279 WeakPolarHBondContact CD-OE2 3.41Å; K256-E279 WeakPolarHBondContact CE-OE1 3.2Å; K256-E279 IonicContact NZ-OE1 2.73Å; K256-E279 PolarHBondContact NZ-OE1 2.92Å; K256-E279 IonicContact NZ-OE2 2.6Å; K256-E279 PolarHBondContact NZ-OE2 3.36Å; G276-E279 PolarHBondContact O-N 3.49Å; E279-S282 PolarHBondContact O-OG 2.69Å; E279-P291 HydrophobicContact CG-CG 4.24Å; E279-P291 VanDerWaalsContact OE2-CG 3.32Å; E279-P291 WeakPolarHBondContact OE2-CG 3.23Å; E279-H293 PolarHBondContact O-ND1 2.93Å; E279-H293 VanDerWaalsContact O-ND1 3.07Å
280	G	96.1	Very high	86.8	Confident	3 Å²	3	53.4 Å²	53.4	3%	0.031	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	65.5	-134	-171.8	0	0	0	0	0	110.9	I275 G276	I275-G280 WeakPolarHBondContact CA-O 3.4Å; G276-G280 PolarHBondContact N-O 3.01Å; G276-G280 WeakPolarHBondContact O-CA 3.47Å; G276-G280 PolarHBondContact O-N 3.43Å
281	I	97.8	Very high	86.6	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	113.1	163.5	-54.3	175	0	0	0	107.1	L273 L294 A295 F297 V300 L319 L328 I345	L273-I281 HydrophobicContact CD2-CG2 4.25Å; I281-L294 HydrophobicContact CG2-CD1 4.41Å; I281-L294 WeakPolarHBondContact O-CA 3.43Å; I281-L294 WeakPolarHBondContact O-CB 3.03Å; I281-L294 PolarHBondContact O-N 3.39Å; I281-A295 PolarHBondContact N-O 2.95Å; I281-A295 PolarHBondContact O-N 2.99Å; I281-F297 HydrophobicContact CD1-CD1 4.5Å; I281-F297 HydrophobicContact CD1-CE1 4.46Å; I281-F297 HydrophobicContact CG1-CD1 4.18Å; I281-F297 HydrophobicContact CG1-CE1 3.79Å; I281-V300 HydrophobicContact CD1-CG2 4.15Å; I281-L319 HydrophobicContact CD1-CD1 3.97Å; I281-L328 HydrophobicContact CG2-CD2 4.47Å; I281-I345 HydrophobicContact CD1-CD1 4.07Å; I281-I345 HydrophobicContact CD1-CG1 4.37Å; I281-I345 HydrophobicContact CD1-CG2 4.16Å
282	S	96.3	Very high	86.6	Confident	3 Å²	3	52 Å²	52	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	164.6	-179.3	-73.4	0	0	0	0	111.4	L273 A274 E279 T292 H293	L273-S282 CarbonylContact C-O 3.57Å; L273-S282 WeakPolarHBondContact CA-O 3.45Å; L273-S282 WeakPolarHBondContact CD2-O 2.99Å; A274-S282 PolarHBondContact N-O 3.33Å; A274-S282 PolarHBondContact O-N 3.36Å; A274-S282 VanDerWaalsContact O-O 3.12Å; E279-S282 PolarHBondContact O-OG 2.69Å; S282-T292 CarbonylContact C-O 3.04Å; S282-T292 VanDerWaalsContact CA-O 3.27Å; S282-T292 WeakPolarHBondContact CA-O 3.36Å; S282-T292 WeakPolarHBondContact CB-O 3.28Å; S282-H293 WeakPolarHBondContact OG-CA 3.39Å
283	Y	94	Very high	86.7	Confident	62 Å²	62	53.5 Å²	53.5	24%	0.243	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	152.6	169.8	74.4	-78.9	0	0	0	112.6	L263 V271 E272 T285 T292 L294	L263-Y283 HydrophobicContact CD1-CD1 4.49Å; L263-Y283 HydrophobicContact CD1-CG 4.44Å; V271-Y283 HydrophobicContact CB-CD2 4.28Å; V271-Y283 HydrophobicContact CG1-CD2 3.82Å; V271-Y283 HydrophobicContact CG1-CE2 4.47Å; V271-Y283 HydrophobicContact CG1-CG 4.41Å; E272-Y283 WeakPolarHBondContact O-CA 3.4Å; Y283-T285 HydrophobicContact CD2-CG2 4.26Å; Y283-T285 HydrophobicContact CE2-CG2 3.66Å; Y283-T292 HydrophobicContact CD1-CG2 4.3Å; Y283-T292 WeakPolarHBondContact CD1-O 3.35Å; Y283-T292 VanDerWaalsContact CE1-CB 3.46Å; Y283-T292 HydrophobicContact CE1-CG2 3.47Å; Y283-T292 VanDerWaalsContact CE1-CG2 3.47Å; Y283-T292 PolarHBondContact N-O 2.89Å; Y283-T292 PolarHBondContact O-N 3.37Å; Y283-L294 HydrophobicContact CD1-CD1 3.93Å; Y283-L294 HydrophobicContact CD1-CD2 3.67Å; Y283-L294 HydrophobicContact CD1-CG 3.79Å; Y283-L294 HydrophobicContact CE1-CD2 3.69Å; Y283-L294 HydrophobicContact CE1-CG 4.3Å
284	L	88.2	Confident	86.7	Confident	33 Å²	33	56.1 Å²	56.1	17%	0.173	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.1	175.6	-62.3	166.9	0	0	0	109.7	E272 P291	E272-L284 HydrophobicContact CB-CB 4.41Å; E272-L284 HydrophobicContact CB-CD1 4.48Å; E272-L284 HydrophobicContact CG-CD1 4.31Å; E272-L284 PolarHBondContact O-N 3.47Å; L284-P291 HydrophobicContact CD2-CB 4.17Å; L284-P291 HydrophobicContact CD2-CG 3.94Å
285	T	74.1	Confident	86.8	Confident	79 Å²	79	56.1 Å²	56.1	49%	0.485	31%	0.311	S	S	.	.	S	Bend	trans	-89.8	-38.5	172.5	53.2	0	0	0	0	112.2	Y283	Y283-T285 HydrophobicContact CD2-CG2 4.26Å; Y283-T285 HydrophobicContact CE2-CG2 3.66Å
286	D	70.6	Confident	86.8	Confident	111 Å²	111	59.7 Å²	59.7	59%	0.594	33%	0.33	S	S	*	.	S	Bend	trans	-147.2	158	-177.3	-76	-66.3	0	0	0	111.3	G288 C289	D286-G288 PolarHBondContact O-N 3.1Å; D286-C289 PolarHBondContact O-N 2.96Å
287	K	58.9	Low	86.8	Confident	210 Å²	210	60.1 Å²	60.1	91%	0.913	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	99.1	176.4	-71.7	-169.7	176.4	-171.9	0	111.4
288	G	59.8	Low	86.9	Confident	81 Å²	81	63.5 Å²	63.5	84%	0.835	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	115.8	-2.6	174.7	0	0	0	0	0	114.8	D286	D286-G288 PolarHBondContact O-N 3.1Å
289	C	66	Low	87.1	Confident	64 Å²	64	62.6 Å²	62.6	43%	0.432	35%	0.348	S	S	.	.	S	Bend	trans	-77.4	152.6	169	-68.9	0	0	0	0	111.2	D286	D286-C289 PolarHBondContact O-N 2.96Å
290	N	78	Confident	87.5	Confident	147 Å²	147	61.3 Å²	61.3	79%	0.786	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-60.6	138.2	170.1	-72.9	-17.8	0	0	0	109.5	T292	N290-T292 PolarHBondContact O-N 2.88Å
291	P	87.8	Confident	87.5	Confident	39 Å²	39	65.4 Å²	65.4	25%	0.253	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-56	136.5	174.8	-18.7	27.3	0	0	0	111.5	E279 L284	E279-P291 HydrophobicContact CG-CG 4.24Å; E279-P291 VanDerWaalsContact OE2-CG 3.32Å; E279-P291 WeakPolarHBondContact OE2-CG 3.23Å; L284-P291 HydrophobicContact CD2-CB 4.17Å; L284-P291 HydrophobicContact CD2-CG 3.94Å
292	T	93	Very high	87.5	Confident	58 Å²	58	67.4 Å²	67.4	36%	0.356	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	117	171.9	-56.3	0	0	0	0	108.6	S282 Y283 N290	S282-T292 CarbonylContact C-O 3.04Å; S282-T292 VanDerWaalsContact CA-O 3.27Å; S282-T292 WeakPolarHBondContact CA-O 3.36Å; S282-T292 WeakPolarHBondContact CB-O 3.28Å; Y283-T292 HydrophobicContact CD1-CG2 4.3Å; Y283-T292 WeakPolarHBondContact CD1-O 3.35Å; Y283-T292 VanDerWaalsContact CE1-CB 3.46Å; Y283-T292 HydrophobicContact CE1-CG2 3.47Å; Y283-T292 VanDerWaalsContact CE1-CG2 3.47Å; Y283-T292 PolarHBondContact N-O 2.89Å; Y283-T292 PolarHBondContact O-N 3.37Å; N290-T292 PolarHBondContact O-N 2.88Å
293	H	95.6	Very high	87.5	Confident	92 Å²	92	67.2 Å²	67.2	43%	0.426	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	138.5	-175.9	-177.8	86.5	0	0	0	112.5	E279 S282 A295 D296	E279-H293 PolarHBondContact O-ND1 2.93Å; E279-H293 VanDerWaalsContact O-ND1 3.07Å; S282-H293 WeakPolarHBondContact OG-CA 3.39Å; H293-A295 PolarHBondContact CE1-O 3.49Å; H293-A295 VanDerWaalsContact CE1-O 3.32Å; H293-A295 VanDerWaalsContact NE2-C 3.3Å; H293-D296 IonicContact CE1-OD1 3.77Å; H293-D296 PolarHBondContact CE1-OD1 2.99Å; H293-D296 PolarHBondContact NE2-N 2.95Å; H293-D296 IonicContact NE2-OD1 2.72Å
294	L	95.8	Very high	87.6	Confident	59 Å²	59	68.3 Å²	68.3	31%	0.309	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-48.7	178.4	-62.5	172.2	0	0	0	112.3	L263 L273 I281 Y283 L328	L263-L294 HydrophobicContact CD1-CD1 3.87Å; L273-L294 HydrophobicContact CD2-CD1 3.77Å; I281-L294 HydrophobicContact CG2-CD1 4.41Å; I281-L294 WeakPolarHBondContact O-CA 3.43Å; I281-L294 WeakPolarHBondContact O-CB 3.03Å; I281-L294 PolarHBondContact O-N 3.39Å; Y283-L294 HydrophobicContact CD1-CD1 3.93Å; Y283-L294 HydrophobicContact CD1-CD2 3.67Å; Y283-L294 HydrophobicContact CD1-CG 3.79Å; Y283-L294 HydrophobicContact CE1-CD2 3.69Å; Y283-L294 HydrophobicContact CE1-CG 4.3Å; L294-L328 HydrophobicContact CB-CD2 4.28Å; L294-L328 HydrophobicContact CD1-CD2 4.16Å
295	A	97.3	Very high	87.7	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	149.9	-179.6	0	0	0	0	0	112.7	I281 H293 I321	I281-A295 PolarHBondContact N-O 2.95Å; I281-A295 PolarHBondContact O-N 2.99Å; H293-A295 PolarHBondContact CE1-O 3.49Å; H293-A295 VanDerWaalsContact CE1-O 3.32Å; H293-A295 VanDerWaalsContact NE2-C 3.3Å; A295-I321 HydrophobicContact CB-CD1 3.96Å; A295-I321 HydrophobicContact CB-CG1 4.28Å; A295-I321 HydrophobicContact CB-CG2 3.99Å
296	D	97.6	Very high	88.5	Confident	74 Å²	74	67.9 Å²	67.9	40%	0.396	37%	0.374	S	S	.	.			trans	-83.1	150.1	165.8	-79.8	-41.4	0	0	0	111.3	H293 T298 Q299	H293-D296 IonicContact CE1-OD1 3.77Å; H293-D296 PolarHBondContact CE1-OD1 2.99Å; H293-D296 PolarHBondContact NE2-N 2.95Å; H293-D296 IonicContact NE2-OD1 2.72Å; D296-T298 PolarHBondContact O-N 3.02Å; D296-T298 VanDerWaalsContact O-N 3.15Å; D296-Q299 HydrophobicContact CB-CG 4.19Å; D296-Q299 WeakPolarHBondContact O-CB 3.31Å; D296-Q299 PolarHBondContact O-N 3.09Å
297	F	98	Very high	89.2	Confident	10 Å²	10	67 Å²	67	4%	0.044	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-61.1	-24.5	177.6	-56.6	-64.6	0	0	0	113.9	I275 G276 I281 Q299 V300 I345 Y348 C349 V352	I275-F297 HydrophobicContact CG2-CE1 3.8Å; I275-F297 HydrophobicContact CG2-CZ 3.71Å; G276-F297 WeakPolarHBondContact O-CE2 3.47Å; I281-F297 HydrophobicContact CD1-CD1 4.5Å; I281-F297 HydrophobicContact CD1-CE1 4.46Å; I281-F297 HydrophobicContact CG1-CD1 4.18Å; I281-F297 HydrophobicContact CG1-CE1 3.79Å; F297-Q299 VanDerWaalsContact C-N 3.26Å; F297-Q299 PolarHBondContact O-N 3.17Å; F297-V300 PolarHBondContact O-N 3.23Å; F297-I345 HydrophobicContact CD1-CG2 4.49Å; F297-Y348 VanDerWaalsContact CD1-CB 3.48Å; F297-Y348 HydrophobicContact CD1-CG 4.14Å; F297-Y348 HydrophobicContact CD2-CD1 4.01Å; F297-Y348 AromaticContact CD2-CG 3.97Å; F297-Y348 HydrophobicContact CD2-CG 3.97Å; F297-Y348 AromaticContact CE1-CD2 3.81Å; F297-Y348 HydrophobicContact CE1-CD2 3.81Å; F297-Y348 AromaticContact CE1-CG 3.81Å; F297-Y348 HydrophobicContact CE1-CG 3.81Å; F297-Y348 AromaticContact CE2-CD1 3.64Å; F297-Y348 HydrophobicContact CE2-CD1 3.64Å; F297-Y348 HydrophobicContact CE2-CD2 4.09Å; F297-Y348 HydrophobicContact CE2-CE1 4.16Å; F297-Y348 AromaticContact CE2-CG 3.63Å; F297-Y348 HydrophobicContact CE2-CG 3.63Å; F297-Y348 HydrophobicContact CG-CG 4.22Å; F297-Y348 HydrophobicContact CZ-CD1 4Å; F297-Y348 AromaticContact CZ-CD2 3.56Å; F297-Y348 HydrophobicContact CZ-CD2 3.56Å; F297-Y348 HydrophobicContact CZ-CE1 4.46Å; F297-Y348 HydrophobicContact CZ-CE2 4.09Å; F297-Y348 AromaticContact CZ-CG 3.55Å; F297-Y348 HydrophobicContact CZ-CG 3.55Å; F297-C349 PolarHBondContact O-SG 3.41Å; F297-C349 VanDerWaalsContact O-SG 3.41Å; F297-V352 HydrophobicContact CB-CG1 4.34Å; F297-V352 HydrophobicContact CB-CG2 3.92Å
298	T	96.8	Very high	90.2	Very high	87 Å²	87	57.9 Å²	57.9	53%	0.534	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-72.6	-16.5	174	51.8	0	0	0	0	113.2	D296 V352	D296-T298 PolarHBondContact O-N 3.02Å; D296-T298 VanDerWaalsContact O-N 3.15Å; T298-V352 HydrophobicContact CG2-CB 4.13Å; T298-V352 HydrophobicContact CG2-CG2 3.72Å
299	Q	97.7	Very high	90.7	Very high	71 Å²	71	63.7 Å²	63.7	33%	0.332	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-91	-14.7	177.2	-59.3	173.9	-45.7	0	0	112.5	D296 F297 Q301 I321 A322	D296-Q299 HydrophobicContact CB-CG 4.19Å; D296-Q299 WeakPolarHBondContact O-CB 3.31Å; D296-Q299 PolarHBondContact O-N 3.09Å; F297-Q299 VanDerWaalsContact C-N 3.26Å; F297-Q299 PolarHBondContact O-N 3.17Å; Q299-Q301 PolarHBondContact O-N 3.1Å; Q299-I321 HydrophobicContact CB-CG2 3.87Å; Q299-I321 CarbonylContact O-C 3.57Å; Q299-A322 HydrophobicContact CB-CB 4.43Å; Q299-A322 WeakPolarHBondContact O-CB 3.49Å; Q299-A322 PolarHBondContact O-N 3.49Å
300	V	98.1	Very high	90.7	Very high	4 Å²	4	65.4 Å²	65.4	2%	0.024	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	117.5	179.4	-179	0	0	0	0	109.4	I281 F297 I303 I321 I345 C349	I281-V300 HydrophobicContact CD1-CG2 4.15Å; F297-V300 PolarHBondContact O-N 3.23Å; V300-I303 HydrophobicContact CG1-CD1 4.36Å; V300-I303 HydrophobicContact CG1-CG1 3.82Å; V300-I321 HydrophobicContact CG2-CD1 3.89Å; V300-I345 HydrophobicContact CG1-CG2 4.46Å; V300-I345 HydrophobicContact CG2-CG2 4.29Å; V300-C349 VanDerWaalsContact CB-SG 3.58Å
301	Q	96.9	Very high	90	Very high	89 Å²	89	68.2 Å²	68.2	42%	0.416	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-44.2	178	-61.4	-171.3	-19.8	0	0	111.9	Q299 K320 A322	Q299-Q301 PolarHBondContact O-N 3.1Å; Q301-K320 HydrophobicContact CB-CB 4.35Å; Q301-K320 HydrophobicContact CB-CD 4.36Å; Q301-K320 HydrophobicContact CB-CG 4.37Å; Q301-K320 WeakPolarHBondContact CB-O 3.44Å; Q301-K320 PolarHBondContact N-O 2.92Å; Q301-A322 HydrophobicContact CG-CB 4.11Å
302	T	97	Very high	89	Confident	42 Å²	42	71.4 Å²	71.4	26%	0.258	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	147.1	-175.8	61.3	0	0	0	0	111.2	K320 F359 I361	T302-K320 PolarHBondContact O-N 3.2Å; T302-K320 WeakPolarHBondContact OG1-CB 3.25Å; T302-F359 WeakPolarHBondContact CA-O 3.44Å; T302-I361 HydrophobicContact CG2-CD1 3.85Å; T302-I361 HydrophobicContact CG2-CG1 4.07Å
303	I	97.6	Very high	88.2	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	136.8	179.8	-56.2	169.5	0	0	0	108.2	V300 L317 L319 A342 I345 D346 F359 I360 I361	V300-I303 HydrophobicContact CG1-CD1 4.36Å; V300-I303 HydrophobicContact CG1-CG1 3.82Å; I303-L317 HydrophobicContact CG2-CD1 3.81Å; I303-L319 HydrophobicContact CB-CD2 4.25Å; I303-L319 HydrophobicContact CG1-CD2 3.91Å; I303-L319 HydrophobicContact CG2-CD2 3.92Å; I303-A342 HydrophobicContact CG2-CB 4.06Å; I303-I345 HydrophobicContact CD1-CB 4.22Å; I303-I345 HydrophobicContact CD1-CG2 3.84Å; I303-I345 HydrophobicContact CG1-CG2 4.43Å; I303-D346 HydrophobicContact CD1-CB 3.68Å; I303-F359 HydrophobicContact CD1-CB 4.02Å; I303-F359 HydrophobicContact CG1-CB 4.22Å; I303-F359 PolarHBondContact N-O 2.96Å; I303-I360 HydrophobicContact CB-CG1 4.05Å; I303-I360 HydrophobicContact CD1-CG1 4.43Å; I303-I360 HydrophobicContact CG2-CG1 4.06Å; I303-I360 CarbonylContact O-C 3.5Å; I303-I360 VanDerWaalsContact O-CA 3.31Å; I303-I360 WeakPolarHBondContact O-CA 3.38Å; I303-I361 PolarHBondContact O-N 3.24Å
304	Q	94.3	Very high	87.8	Confident	84 Å²	84	77.8 Å²	77.8	39%	0.393	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	140.8	172.1	180	175.4	-12.1	0	0	109.3	L317 Q318	Q304-L317 CarbonylContact O-C 3.55Å; Q304-L317 WeakPolarHBondContact O-CA 3.39Å; Q304-Q318 PolarHBondContact N-O 2.94Å; Q304-Q318 PolarHBondContact O-N 3.46Å
305	Y	92	Very high	87.6	Confident	52 Å²	52	75 Å²	75	20%	0.204	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	155	170.5	65	-91.1	0	0	0	111.2	M316 L335 E339 A342 I360 L371	Y305-M316 CarbonylContact C-O 3.59Å; Y305-M316 WeakPolarHBondContact CA-O 3.18Å; Y305-M316 WeakPolarHBondContact CB-O 3.47Å; Y305-L335 HydrophobicContact CD2-CD1 4.14Å; Y305-E339 HydrophobicContact CD2-CG 3.97Å; Y305-E339 HydrophobicContact CE2-CG 3.57Å; Y305-A342 HydrophobicContact CD1-CB 3.63Å; Y305-A342 HydrophobicContact CE1-CB 4.15Å; Y305-A342 HydrophobicContact CG-CB 4.42Å; Y305-I360 HydrophobicContact CD1-CG2 4.3Å; Y305-I360 HydrophobicContact CE1-CG2 3.89Å; Y305-L371 VanDerWaalsContact OH-CD2 3.27Å; Y305-L371 WeakPolarHBondContact OH-CD2 3.32Å; Y305-L371 VanDerWaalsContact OH-CG 3.31Å; Y305-L371 WeakPolarHBondContact OH-CG 3.38Å
306	S	89.7	Confident	87.4	Confident	51 Å²	51	77 Å²	77	36%	0.357	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	172	179.1	66.3	0	0	0	0	111	M316	S306-M316 PolarHBondContact N-O 2.95Å; S306-M316 PolarHBondContact O-N 3.18Å
307	N	86.1	Confident	87.3	Confident	94 Å²	94	73.6 Å²	73.6	50%	0.503	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	149.2	156.7	-71.2	-52.7	0	0	0	109.2
308	S	79.1	Confident	87.1	Confident	17 Å²	17	76.2 Å²	76.2	12%	0.119	37%	0.368	C	S	.	.			trans	-63.9	150.8	162.8	-170.8	0	0	0	0	109.9	D310 K314	S308-D310 PolarHBondContact O-N 3.4Å; S308-D310 PolarHBondContact OG-N 3.16Å; S308-D310 PolarHBondContact OG-OD2 2.97Å; S308-K314 PolarHBondContact N-O 3.5Å
309	E	70.7	Confident	87.2	Confident	204 Å²	204	72.1 Å²	72.1	95%	0.953	34%	0.342	S	S	*	.	S	Bend	trans	-70.5	-14.4	172.9	-58.5	-172.8	163.4	0	0	111.9
310	D	66.5	Low	87.1	Confident	99 Å²	99	73.9 Å²	73.9	53%	0.529	35%	0.349	S	S	.	.	S	Bend	trans	-72	149.9	174	-64.6	-49.3	0	0	0	113.5	S308 D312	S308-D310 PolarHBondContact O-N 3.4Å; S308-D310 PolarHBondContact OG-N 3.16Å; S308-D310 PolarHBondContact OG-OD2 2.97Å; D310-D312 PolarHBondContact O-N 3.04Å
311	K	61.8	Low	87.1	Confident	207 Å²	207	74.5 Å²	74.5	90%	0.9	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-11.1	178.4	-67.5	-175.3	177.9	179.2	0	115.2	R313	K311-R313 VanDerWaalsContact C-N 3.3Å; K311-R313 PolarHBondContact O-N 3.43Å
312	D	67.2	Low	87.1	Confident	105 Å²	105	72.2 Å²	72.2	56%	0.561	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-1.7	-170.9	-72.6	-4.5	0	0	0	115.2	D310 K314	D310-D312 PolarHBondContact O-N 3.04Å; D312-K314 HydrophobicContact CB-CD 3.98Å; D312-K314 HydrophobicContact CB-CG 4.06Å; D312-K314 PolarHBondContact O-N 3.04Å; D312-K314 VanDerWaalsContact O-N 3.17Å; D312-K314 WeakPolarHBondContact OD2-CE 3.49Å; D312-K314 IonicContact OD2-NZ 2.65Å; D312-K314 PolarHBondContact OD2-NZ 3.13Å
313	R	75.9	Confident	86.9	Confident	214 Å²	214	74.5 Å²	74.5	81%	0.808	38%	0.38	S	S	*	.			trans	56.4	25.3	-176.3	-57.3	-177	174.7	-173	-1.7	115	K311	K311-R313 VanDerWaalsContact C-N 3.3Å; K311-R313 PolarHBondContact O-N 3.43Å
314	K	88.4	Confident	86.7	Confident	71 Å²	71	76.7 Å²	76.7	31%	0.309	40%	0.399	S	S	.	.			trans	-65.5	150.4	171.9	-70.8	164.4	-180	153.8	0	110.5	S308 D312 T331	S308-K314 PolarHBondContact N-O 3.5Å; D312-K314 HydrophobicContact CB-CD 3.98Å; D312-K314 HydrophobicContact CB-CG 4.06Å; D312-K314 PolarHBondContact O-N 3.04Å; D312-K314 VanDerWaalsContact O-N 3.17Å; D312-K314 WeakPolarHBondContact OD2-CE 3.49Å; D312-K314 IonicContact OD2-NZ 2.65Å; D312-K314 PolarHBondContact OD2-NZ 3.13Å; K314-T331 HydrophobicContact CB-CG2 4.17Å; K314-T331 HydrophobicContact CD-CG2 4.21Å
315	G	91.4	Very high	86.4	Confident	0 Å²	0	79.2 Å²	79.2	0%	0	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	143.3	171.5	0	0	0	0	0	110.7	T331 A332	G315-T331 CarbonylContact O-C 3.56Å; G315-T331 WeakPolarHBondContact O-CA 2.97Å; G315-A332 PolarHBondContact N-O 2.81Å; G315-A332 VanDerWaalsContact N-O 3.07Å; G315-A332 PolarHBondContact O-N 3.1Å
316	M	92.5	Very high	86.4	Confident	43 Å²	43	83.4 Å²	83.4	21%	0.212	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	137.9	169.5	-172.4	174.8	-70.5	0	0	109.4	Y305 S306 Q318 T329	Y305-M316 CarbonylContact C-O 3.59Å; Y305-M316 WeakPolarHBondContact CA-O 3.18Å; Y305-M316 WeakPolarHBondContact CB-O 3.47Å; S306-M316 PolarHBondContact N-O 2.95Å; S306-M316 PolarHBondContact O-N 3.18Å; M316-Q318 HydrophobicContact CG-CG 4.42Å; M316-Q318 HydrophobicContact SD-CG 4.5Å; M316-T329 HydrophobicContact CG-CG2 4.14Å; M316-T329 HydrophobicContact SD-CG2 4.07Å
317	L	95.1	Very high	86.6	Confident	1 Å²	1	83.9 Å²	83.9	1%	0.005	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	129.2	176.5	175.6	73.9	0	0	0	108	I303 Q304 L319 V330 M341 A342 I345	I303-L317 HydrophobicContact CG2-CD1 3.81Å; Q304-L317 CarbonylContact O-C 3.55Å; Q304-L317 WeakPolarHBondContact O-CA 3.39Å; L317-L319 HydrophobicContact CD1-CD2 4.21Å; L317-L319 HydrophobicContact CD2-CD2 4.38Å; L317-L319 HydrophobicContact CG-CD2 4.14Å; L317-L319 HydrophobicContact CG-CG 4.38Å; L317-V330 HydrophobicContact CB-CB 4.26Å; L317-V330 PolarHBondContact N-O 2.88Å; L317-V330 PolarHBondContact O-N 3.33Å; L317-M341 HydrophobicContact CD2-CB 3.95Å; L317-M341 HydrophobicContact CD2-CE 4.35Å; L317-A342 HydrophobicContact CD1-CB 3.86Å; L317-I345 HydrophobicContact CD2-CD1 4.16Å
318	Q	95.3	Very high	87.1	Confident	65 Å²	65	81 Å²	81	30%	0.304	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.9	179.3	-69.6	-178.2	-13.8	0	0	109.5	Q304 M316 T329	Q304-Q318 PolarHBondContact N-O 2.94Å; Q304-Q318 PolarHBondContact O-N 3.46Å; M316-Q318 HydrophobicContact CG-CG 4.42Å; M316-Q318 HydrophobicContact SD-CG 4.5Å; Q318-T329 HydrophobicContact CG-CG2 4.28Å
319	L	97.3	Very high	87.8	Confident	1 Å²	1	80.6 Å²	80.6	1%	0.005	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117.6	-177.9	-52.9	172.5	0	0	0	108.8	I281 I303 L317 I321 P327 L328 I345	I281-L319 HydrophobicContact CD1-CD1 3.97Å; I303-L319 HydrophobicContact CB-CD2 4.25Å; I303-L319 HydrophobicContact CG1-CD2 3.91Å; I303-L319 HydrophobicContact CG2-CD2 3.92Å; L317-L319 HydrophobicContact CD1-CD2 4.21Å; L317-L319 HydrophobicContact CD2-CD2 4.38Å; L317-L319 HydrophobicContact CG-CD2 4.14Å; L317-L319 HydrophobicContact CG-CG 4.38Å; L319-I321 HydrophobicContact CB-CD1 3.97Å; L319-I321 PolarHBondContact O-N 3.37Å; L319-P327 CarbonylContact O-C 3.55Å; L319-P327 WeakPolarHBondContact O-CA 3.38Å; L319-L328 HydrophobicContact CB-CB 4.29Å; L319-L328 HydrophobicContact CD1-CD2 4.22Å; L319-L328 PolarHBondContact N-O 3.04Å; L319-L328 PolarHBondContact O-N 3.1Å; L319-I345 HydrophobicContact CD1-CD1 3.7Å; L319-I345 HydrophobicContact CD2-CD1 4.11Å; L319-I345 HydrophobicContact CD2-CG2 4.38Å
320	K	97.1	Very high	89	Confident	109 Å²	109	70.9 Å²	70.9	47%	0.474	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	113.7	173.5	-169.6	-177.9	-178.9	-169.7	0	108.9	Q301 T302	Q301-K320 HydrophobicContact CB-CB 4.35Å; Q301-K320 HydrophobicContact CB-CD 4.36Å; Q301-K320 HydrophobicContact CB-CG 4.37Å; Q301-K320 WeakPolarHBondContact CB-O 3.44Å; Q301-K320 PolarHBondContact N-O 2.92Å; T302-K320 PolarHBondContact O-N 3.2Å; T302-K320 WeakPolarHBondContact OG1-CB 3.25Å
321	I	97.6	Very high	90.4	Very high	16 Å²	16	67.1 Å²	67.1	8%	0.082	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	133.7	-177.1	-51.7	-55.6	0	0	0	110	A295 Q299 V300 L319 G323 A324 L328	A295-I321 HydrophobicContact CB-CD1 3.96Å; A295-I321 HydrophobicContact CB-CG1 4.28Å; A295-I321 HydrophobicContact CB-CG2 3.99Å; Q299-I321 HydrophobicContact CB-CG2 3.87Å; Q299-I321 CarbonylContact O-C 3.57Å; V300-I321 HydrophobicContact CG2-CD1 3.89Å; L319-I321 HydrophobicContact CB-CD1 3.97Å; L319-I321 PolarHBondContact O-N 3.37Å; I321-G323 PolarHBondContact O-N 3.19Å; I321-A324 HydrophobicContact CB-CB 3.97Å; I321-A324 PolarHBondContact O-N 3.24Å; I321-A324 VanDerWaalsContact O-N 3.11Å; I321-L328 HydrophobicContact CG1-CB 4.25Å
322	A	96.3	Very high	91.9	Very high	42 Å²	42	57.3 Å²	57.3	35%	0.347	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	124.1	177.2	0	0	0	0	0	110.8	Q299 Q301 A324	Q299-A322 HydrophobicContact CB-CB 4.43Å; Q299-A322 WeakPolarHBondContact O-CB 3.49Å; Q299-A322 PolarHBondContact O-N 3.49Å; Q301-A322 HydrophobicContact CG-CB 4.11Å; A322-A324 VanDerWaalsContact C-N 3.32Å
323	G	92.6	Very high	93.2	Very high	89 Å²	89	56 Å²	56	92%	0.918	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	-9.9	-176.8	0	0	0	0	0	115	I321	I321-G323 PolarHBondContact O-N 3.19Å
324	A	94.3	Very high	94	Very high	47 Å²	47	47.4 Å²	47.4	39%	0.388	29%	0.29	S	S	.	.			trans	-88.4	134.1	171.4	0	0	0	0	0	110.8	I321 A322	I321-A324 HydrophobicContact CB-CB 3.97Å; I321-A324 PolarHBondContact O-N 3.24Å; I321-A324 VanDerWaalsContact O-N 3.11Å; A322-A324 VanDerWaalsContact C-N 3.32Å
325	P	88.8	Confident	94.1	Very high	137 Å²	137	46.3 Å²	46.3	89%	0.89	29%	0.287	S	S	*	.	S	Bend	trans	-76.4	-28.8	177.4	30.3	-34.3	0	0	0	112.8
326	E	91.3	Very high	94.1	Very high	139 Å²	139	48 Å²	48	65%	0.65	30%	0.297	S	S	*	.	S	Bend	trans	-112.9	146.2	177.8	-64.7	-170.4	170.9	0	0	110.6
327	P	93.7	Very high	94.2	Very high	61 Å²	61	48.3 Å²	48.3	40%	0.396	30%	0.299	S	S	.	.			trans	-71.9	138.2	175.6	30.5	-34	0	0	0	111.2	L319 T329	L319-P327 CarbonylContact O-C 3.55Å; L319-P327 WeakPolarHBondContact O-CA 3.38Å; P327-T329 PolarHBondContact O-N 2.83Å; P327-T329 PolarHBondContact O-OG1 3.28Å
328	L	95.6	Very high	94.2	Very high	35 Å²	35	48.2 Å²	48.2	18%	0.183	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	109.2	171.1	174.7	60	0	0	0	108.4	L263 I281 L294 L319 I321 V330	L263-L328 HydrophobicContact CD2-CD1 4.27Å; I281-L328 HydrophobicContact CG2-CD2 4.47Å; L294-L328 HydrophobicContact CB-CD2 4.28Å; L294-L328 HydrophobicContact CD1-CD2 4.16Å; L319-L328 HydrophobicContact CB-CB 4.29Å; L319-L328 HydrophobicContact CD1-CD2 4.22Å; L319-L328 PolarHBondContact N-O 3.04Å; L319-L328 PolarHBondContact O-N 3.1Å; I321-L328 HydrophobicContact CG1-CB 4.25Å; L328-V330 HydrophobicContact CG-CG2 4.42Å
329	T	95.1	Very high	94.1	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.043	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.9	-177.6	-58.4	0	0	0	0	109.7	L263 G264 M316 Q318 P327	L263-T329 WeakPolarHBondContact CA-O 3.48Å; G264-T329 PolarHBondContact N-O 2.74Å; M316-T329 HydrophobicContact CG-CG2 4.14Å; M316-T329 HydrophobicContact SD-CG2 4.07Å; Q318-T329 HydrophobicContact CG-CG2 4.28Å; P327-T329 PolarHBondContact O-N 2.83Å; P327-T329 PolarHBondContact O-OG1 3.28Å
330	V	96.1	Very high	94.1	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.9	-179	-170.8	0	0	0	0	109	C261 A262 L263 L273 L317 L328 M341	C261-V330 HydrophobicContact CB-CG1 3.91Å; A262-V330 CarbonylContact O-C 3.56Å; A262-V330 WeakPolarHBondContact O-CA 3.47Å; L263-V330 HydrophobicContact CD2-CB 4.34Å; L263-V330 HydrophobicContact CD2-CG1 4.19Å; L263-V330 HydrophobicContact CD2-CG2 3.75Å; L273-V330 HydrophobicContact CD1-CG1 3.72Å; L273-V330 HydrophobicContact CD1-CG2 4.08Å; L317-V330 HydrophobicContact CB-CB 4.26Å; L317-V330 PolarHBondContact N-O 2.88Å; L317-V330 PolarHBondContact O-N 3.33Å; L328-V330 HydrophobicContact CG-CG2 4.42Å; V330-M341 HydrophobicContact CG1-CE 3.98Å
331	T	94.8	Very high	94.2	Very high	19 Å²	19	42.2 Å²	42.2	12%	0.117	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	114.6	173	-57.5	0	0	0	0	109.3	C261 A262 K314 G315	C261-T331 CarbonylContact C-O 3.6Å; C261-T331 WeakPolarHBondContact CA-O 3.4Å; C261-T331 WeakPolarHBondContact CB-O 3.37Å; A262-T331 PolarHBondContact N-O 2.97Å; A262-T331 PolarHBondContact O-N 2.88Å; K314-T331 HydrophobicContact CB-CG2 4.17Å; K314-T331 HydrophobicContact CD-CG2 4.21Å; G315-T331 CarbonylContact O-C 3.56Å; G315-T331 WeakPolarHBondContact O-CA 2.97Å
332	A	94.7	Very high	94.1	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.008	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	153.3	177.9	0	0	0	0	0	111.6	G315 S334 I337 A338 M341	G315-A332 PolarHBondContact N-O 2.81Å; G315-A332 VanDerWaalsContact N-O 3.07Å; G315-A332 PolarHBondContact O-N 3.1Å; A332-S334 PolarHBondContact O-N 2.95Å; A332-S334 VanDerWaalsContact O-N 3.13Å; A332-I337 HydrophobicContact CB-CB 4.09Å; A332-I337 HydrophobicContact CB-CG2 3.91Å; A332-A338 HydrophobicContact CB-CB 4.04Å; A332-M341 HydrophobicContact CB-SD 4.47Å
333	P	93	Very high	94.2	Very high	77 Å²	77	39.5 Å²	39.5	50%	0.5	25%	0.253	S	S	.	.	S	Bend	trans	-61.3	-22.9	-179.5	-22.7	33	0	0	0	114.7	K260 I337	K260-P333 VanDerWaalsContact O-CD 3.31Å; K260-P333 WeakPolarHBondContact O-CD 3.37Å; K260-P333 WeakPolarHBondContact O-CG 3.4Å; P333-I337 HydrophobicContact CB-CD1 3.99Å; P333-I337 HydrophobicContact CG-CD1 4Å
334	S	92.8	Very high	94.5	Very high	35 Å²	35	35.3 Å²	35.3	25%	0.245	21%	0.209	C	C	.	.	S	Bend	trans	-149.8	162.3	176.3	68.7	0	0	0	0	111.2	A332 T336 I337 A338	A332-S334 PolarHBondContact O-N 2.95Å; A332-S334 VanDerWaalsContact O-N 3.13Å; S334-T336 VanDerWaalsContact C-N 3.29Å; S334-T336 PolarHBondContact O-N 3.49Å; S334-I337 PolarHBondContact O-N 3.36Å; S334-I337 WeakPolarHBondContact OG-CG1 3.38Å; S334-I337 PolarHBondContact OG-N 3.45Å; S334-A338 PolarHBondContact O-N 2.61Å
335	L	90.9	Very high	94.7	Very high	47 Å²	47	33.2 Å²	33.2	25%	0.246	19%	0.191	C	C	.	.	H	α-helix	trans	-56.8	-43	171.6	-177.5	66	0	0	0	111.7	Y305 I337 A338 E339	Y305-L335 HydrophobicContact CD2-CD1 4.14Å; L335-I337 VanDerWaalsContact C-N 3.27Å; L335-I337 PolarHBondContact O-N 2.92Å; L335-A338 CarbonylContact O-C 3.55Å; L335-A338 WeakPolarHBondContact O-CA 3.45Å; L335-A338 WeakPolarHBondContact O-CB 3.5Å; L335-A338 PolarHBondContact O-N 3.07Å; L335-E339 HydrophobicContact CG-CG 4.31Å; L335-E339 PolarHBondContact O-N 3.25Å
336	T	91.8	Very high	95.1	Very high	36 Å²	36	26.7 Å²	26.7	22%	0.221	15%	0.149	C	C	.	.	H	α-helix	trans	-55.8	-40.1	178.2	-46.7	0	0	0	0	112.5	V96 H97 S334 E339 N340	V96-T336 WeakPolarHBondContact O-CG2 3.5Å; H97-T336 VanDerWaalsContact CE1-CG2 3.44Å; H97-T336 WeakPolarHBondContact CE1-CG2 3.44Å; S334-T336 VanDerWaalsContact C-N 3.29Å; S334-T336 PolarHBondContact O-N 3.49Å; T336-E339 PolarHBondContact O-N 2.97Å; T336-N340 WeakPolarHBondContact O-CB 3.39Å; T336-N340 PolarHBondContact O-N 2.91Å; T336-N340 PolarHBondContact O-ND2 3.18Å
337	I	94.5	Very high	95.4	Very high	49 Å²	49	20.1 Å²	20.1	25%	0.251	12%	0.118	S	C	.	.	H	α-helix	trans	-69.8	-39.3	177.1	-65	166.5	0	0	0	110.4	F259 A332 P333 S334 L335 N340 M341	F259-I337 HydrophobicContact CD1-CG2 3.99Å; A332-I337 HydrophobicContact CB-CB 4.09Å; A332-I337 HydrophobicContact CB-CG2 3.91Å; P333-I337 HydrophobicContact CB-CD1 3.99Å; P333-I337 HydrophobicContact CG-CD1 4Å; S334-I337 PolarHBondContact O-N 3.36Å; S334-I337 WeakPolarHBondContact OG-CG1 3.38Å; S334-I337 PolarHBondContact OG-N 3.45Å; L335-I337 VanDerWaalsContact C-N 3.27Å; L335-I337 PolarHBondContact O-N 2.92Å; I337-N340 PolarHBondContact O-N 2.8Å; I337-M341 HydrophobicContact CG2-CG 4.35Å; I337-M341 HydrophobicContact CG2-SD 3.81Å; I337-M341 WeakPolarHBondContact O-CB 3.28Å; I337-M341 WeakPolarHBondContact O-CG 3.48Å; I337-M341 PolarHBondContact O-N 2.6Å
338	A	94.8	Very high	95.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.9	-41	174	0	0	0	0	0	112.7	A332 S334 L335 M341 A342	A332-A338 HydrophobicContact CB-CB 4.04Å; S334-A338 PolarHBondContact O-N 2.61Å; L335-A338 CarbonylContact O-C 3.55Å; L335-A338 WeakPolarHBondContact O-CA 3.45Å; L335-A338 WeakPolarHBondContact O-CB 3.5Å; L335-A338 PolarHBondContact O-N 3.07Å; A338-M341 PolarHBondContact O-N 2.85Å; A338-A342 WeakPolarHBondContact O-CB 3.49Å; A338-A342 PolarHBondContact O-N 2.91Å
339	E	94.3	Very high	95.8	Very high	31 Å²	31	15.7 Å²	15.7	15%	0.145	9%	0.092	C	C	.	.	H	α-helix	trans	-60.3	-48.7	172.6	-72.8	-177.6	151	0	0	110.8	K111 Y305 L335 T336 M341 A342 D343	K111-E339 IonicContact NZ-OE2 2.99Å; Y305-E339 HydrophobicContact CD2-CG 3.97Å; Y305-E339 HydrophobicContact CE2-CG 3.57Å; L335-E339 HydrophobicContact CG-CG 4.31Å; L335-E339 PolarHBondContact O-N 3.25Å; T336-E339 PolarHBondContact O-N 2.97Å; E339-M341 VanDerWaalsContact C-N 3.31Å; E339-M341 PolarHBondContact O-N 3.33Å; E339-A342 PolarHBondContact O-N 2.95Å; E339-D343 PolarHBondContact O-N 2.82Å
340	N	96.7	Very high	95.9	Very high	16 Å²	16	16.2 Å²	16.2	9%	0.086	9%	0.093	C	C	.	.	H	α-helix	trans	-62.2	-35	178.3	-72.8	-18.9	0	0	0	113	V96 W98 R128 T336 I337 L344	V96-N340 PolarHBondContact O-ND2 3.08Å; W98-N340 PolarHBondContact N-OD1 3.5Å; R128-N340 PolarHBondContact NH1-O 3.33Å; R128-N340 PolarHBondContact NH2-O 2.85Å; T336-N340 WeakPolarHBondContact O-CB 3.39Å; T336-N340 PolarHBondContact O-N 2.91Å; T336-N340 PolarHBondContact O-ND2 3.18Å; I337-N340 PolarHBondContact O-N 2.8Å; N340-L344 PolarHBondContact O-N 3.33Å
341	M	97.9	Very high	95.9	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-75.5	-37.7	175.3	-70.4	171	72.3	0	0	112.1	F259 L273 I275 L317 V330 A332 I337 A338 E339 L344 I345	F259-M341 HydrophobicContact CB-CE 4.04Å; F259-M341 HydrophobicContact CB-CG 4.46Å; F259-M341 HydrophobicContact CB-SD 3.87Å; F259-M341 HydrophobicContact CD1-CG 3.57Å; F259-M341 HydrophobicContact CD1-SD 3.88Å; F259-M341 HydrophobicContact CD2-CE 4.35Å; F259-M341 HydrophobicContact CD2-CG 3.96Å; F259-M341 HydrophobicContact CD2-SD 4.39Å; F259-M341 HydrophobicContact CE1-CG 3.63Å; F259-M341 HydrophobicContact CE2-CG 4.02Å; F259-M341 HydrophobicContact CG-CE 4.17Å; F259-M341 HydrophobicContact CG-CG 3.73Å; F259-M341 HydrophobicContact CG-SD 3.79Å; F259-M341 HydrophobicContact CZ-CG 3.85Å; L273-M341 HydrophobicContact CD1-CE 3.64Å; I275-M341 HydrophobicContact CD1-CE 4.46Å; L317-M341 HydrophobicContact CD2-CB 3.95Å; L317-M341 HydrophobicContact CD2-CE 4.35Å; V330-M341 HydrophobicContact CG1-CE 3.98Å; A332-M341 HydrophobicContact CB-SD 4.47Å; I337-M341 HydrophobicContact CG2-CG 4.35Å; I337-M341 HydrophobicContact CG2-SD 3.81Å; I337-M341 WeakPolarHBondContact O-CB 3.28Å; I337-M341 WeakPolarHBondContact O-CG 3.48Å; I337-M341 PolarHBondContact O-N 2.6Å; A338-M341 PolarHBondContact O-N 2.85Å; E339-M341 VanDerWaalsContact C-N 3.31Å; E339-M341 PolarHBondContact O-N 3.33Å; M341-L344 PolarHBondContact O-N 2.85Å; M341-I345 WeakPolarHBondContact O-CG1 3.44Å; M341-I345 PolarHBondContact O-N 3.36Å
342	A	97.3	Very high	96	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.5	-46.2	175.2	0	0	0	0	0	111.3	I303 Y305 L317 A338 E339 L344 I345 D346 I360	I303-A342 HydrophobicContact CG2-CB 4.06Å; Y305-A342 HydrophobicContact CD1-CB 3.63Å; Y305-A342 HydrophobicContact CE1-CB 4.15Å; Y305-A342 HydrophobicContact CG-CB 4.42Å; L317-A342 HydrophobicContact CD1-CB 3.86Å; A338-A342 WeakPolarHBondContact O-CB 3.49Å; A338-A342 PolarHBondContact O-N 2.91Å; E339-A342 PolarHBondContact O-N 2.95Å; A342-L344 PolarHBondContact O-N 3.44Å; A342-I345 PolarHBondContact O-N 3.19Å; A342-D346 WeakPolarHBondContact O-CB 3.19Å; A342-D346 PolarHBondContact O-N 2.81Å; A342-I360 HydrophobicContact CB-CD1 4.25Å
343	D	97.7	Very high	96.1	Very high	2 Å²	2	24 Å²	24	1%	0.011	14%	0.135	C	C	.	.	H	α-helix	trans	-61.7	-41	175.3	175.8	73.2	0	0	0	112.4	W98 H100 R128 Y129 E339 D346 G347	W98-D343 HydrophobicContact CB-CB 4.47Å; H100-D343 IonicContact CD2-OD1 2.98Å; R128-D343 IonicContact CZ-OD2 3.28Å; R128-D343 IonicContact NH1-OD2 2.75Å; R128-D343 PolarHBondContact NH1-OD2 3.33Å; Y129-D343 WeakPolarHBondContact CE1-O 3.28Å; Y129-D343 PolarHBondContact OH-OD1 3.18Å; Y129-D343 PolarHBondContact OH-OD2 3.42Å; E339-D343 PolarHBondContact O-N 2.82Å; D343-D346 PolarHBondContact O-N 2.98Å; D343-G347 PolarHBondContact O-N 2.93Å
344	L	98.4	Very high	96.1	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-59.8	-52.9	177.9	-173.9	62.7	0	0	0	111.4	R128 Y129 E257 F259 I275 N340 M341 A342 G347 Y348	R128-L344 HydrophobicContact CG-CD1 3.85Å; Y129-L344 HydrophobicContact CD1-CD1 4.35Å; E257-L344 HydrophobicContact CB-CD2 3.85Å; E257-L344 HydrophobicContact CG-CD2 4.32Å; F259-L344 HydrophobicContact CE2-CD2 3.64Å; F259-L344 HydrophobicContact CZ-CD2 4.02Å; I275-L344 HydrophobicContact CB-CD2 3.78Å; I275-L344 HydrophobicContact CD1-CD2 4.2Å; I275-L344 HydrophobicContact CG2-CD2 3.66Å; I275-L344 HydrophobicContact CG2-CG 4.01Å; N340-L344 PolarHBondContact O-N 3.33Å; M341-L344 PolarHBondContact O-N 2.85Å; A342-L344 PolarHBondContact O-N 3.44Å; L344-G347 PolarHBondContact O-N 3.07Å; L344-Y348 HydrophobicContact CD1-CD2 4.08Å; L344-Y348 HydrophobicContact CD1-CE2 3.6Å; L344-Y348 HydrophobicContact CG-CD2 4.1Å; L344-Y348 HydrophobicContact CG-CE2 3.94Å; L344-Y348 WeakPolarHBondContact O-CD2 3.44Å; L344-Y348 PolarHBondContact O-N 3.37Å
345	I	98.5	Very high	96.2	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-66.6	-43.6	-178.3	-63	171.1	0	0	0	110.1	I275 I281 F297 V300 I303 L317 L319 M341 A342 G347 Y348 C349	I275-I345 HydrophobicContact CD1-CD1 4.08Å; I275-I345 HydrophobicContact CD1-CG1 4.09Å; I275-I345 HydrophobicContact CG2-CG1 4.47Å; I281-I345 HydrophobicContact CD1-CD1 4.07Å; I281-I345 HydrophobicContact CD1-CG1 4.37Å; I281-I345 HydrophobicContact CD1-CG2 4.16Å; F297-I345 HydrophobicContact CD1-CG2 4.49Å; V300-I345 HydrophobicContact CG1-CG2 4.46Å; V300-I345 HydrophobicContact CG2-CG2 4.29Å; I303-I345 HydrophobicContact CD1-CB 4.22Å; I303-I345 HydrophobicContact CD1-CG2 3.84Å; I303-I345 HydrophobicContact CG1-CG2 4.43Å; L317-I345 HydrophobicContact CD2-CD1 4.16Å; L319-I345 HydrophobicContact CD1-CD1 3.7Å; L319-I345 HydrophobicContact CD2-CD1 4.11Å; L319-I345 HydrophobicContact CD2-CG2 4.38Å; M341-I345 WeakPolarHBondContact O-CG1 3.44Å; M341-I345 PolarHBondContact O-N 3.36Å; A342-I345 PolarHBondContact O-N 3.19Å; I345-G347 VanDerWaalsContact C-N 3.34Å; I345-G347 PolarHBondContact O-N 3.29Å; I345-Y348 PolarHBondContact O-N 3.3Å; I345-C349 WeakPolarHBondContact O-CB 3.3Å; I345-C349 PolarHBondContact O-N 3.24Å; I345-C349 PolarHBondContact O-SG 2.92Å
346	D	98.2	Very high	96.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.3	-41.4	177.5	-170.7	33	0	0	0	111.9	H100 I303 A342 D343 C349 R350 S358 F359 I360	H100-D346 IonicContact CD2-OD2 3.42Å; H100-D346 IonicContact NE2-OD1 3.56Å; H100-D346 IonicContact NE2-OD2 2.91Å; H100-D346 PolarHBondContact NE2-OD2 3.22Å; I303-D346 HydrophobicContact CD1-CB 3.68Å; A342-D346 WeakPolarHBondContact O-CB 3.19Å; A342-D346 PolarHBondContact O-N 2.81Å; D343-D346 PolarHBondContact O-N 2.98Å; D346-C349 PolarHBondContact O-N 2.93Å; D346-R350 VanDerWaalsContact CG-NH1 3.33Å; D346-R350 WeakPolarHBondContact O-CB 3.33Å; D346-R350 VanDerWaalsContact O-CG 3.31Å; D346-R350 WeakPolarHBondContact O-CG 3.44Å; D346-R350 PolarHBondContact O-N 3.49Å; D346-R350 IonicContact OD2-CZ 2.7Å; D346-R350 IonicContact OD2-NH1 3.69Å; D346-R350 PolarHBondContact OD2-NH1 3.18Å; D346-S358 WeakPolarHBondContact OD1-CA 3.26Å; D346-S358 VanDerWaalsContact OD2-CB 3.28Å; D346-S358 WeakPolarHBondContact OD2-CB 3.36Å; D346-S358 PolarHBondContact OD2-OG 2.84Å; D346-F359 WeakPolarHBondContact OD1-CB 3.26Å; D346-F359 PolarHBondContact OD1-N 3.04Å; D346-I360 HydrophobicContact CB-CD1 4Å; D346-I360 HydrophobicContact CB-CG1 4Å
347	G	97.7	Very high	96.1	Very high	1 Å²	1	31 Å²	31	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-63.7	-41.1	174.9	0	0	0	0	0	113.6	D343 L344 I345 R350 L351	D343-G347 PolarHBondContact O-N 2.93Å; L344-G347 PolarHBondContact O-N 3.07Å; I345-G347 VanDerWaalsContact C-N 3.34Å; I345-G347 PolarHBondContact O-N 3.29Å; G347-R350 VanDerWaalsContact CA-NH2 3.35Å; G347-R350 PolarHBondContact O-N 3.17Å; G347-L351 VanDerWaalsContact O-CB 3.29Å; G347-L351 WeakPolarHBondContact O-CB 3.32Å; G347-L351 PolarHBondContact O-N 3.23Å
348	Y	98.6	Very high	96.1	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-63.4	-43.2	170.2	-81.8	-69.8	0	0	0	112.2	L130 I275 P277 F297 L344 I345 R350 L351 V352	L130-Y348 VanDerWaalsContact O-CE1 3.27Å; L130-Y348 WeakPolarHBondContact O-CE1 3.31Å; I275-Y348 HydrophobicContact CG2-CD2 4.24Å; I275-Y348 HydrophobicContact CG2-CE2 4.19Å; P277-Y348 HydrophobicContact CB-CE1 4.4Å; F297-Y348 VanDerWaalsContact CD1-CB 3.48Å; F297-Y348 HydrophobicContact CD1-CG 4.14Å; F297-Y348 HydrophobicContact CD2-CD1 4.01Å; F297-Y348 AromaticContact CD2-CG 3.97Å; F297-Y348 HydrophobicContact CD2-CG 3.97Å; F297-Y348 AromaticContact CE1-CD2 3.81Å; F297-Y348 HydrophobicContact CE1-CD2 3.81Å; F297-Y348 AromaticContact CE1-CG 3.81Å; F297-Y348 HydrophobicContact CE1-CG 3.81Å; F297-Y348 AromaticContact CE2-CD1 3.64Å; F297-Y348 HydrophobicContact CE2-CD1 3.64Å; F297-Y348 HydrophobicContact CE2-CD2 4.09Å; F297-Y348 HydrophobicContact CE2-CE1 4.16Å; F297-Y348 AromaticContact CE2-CG 3.63Å; F297-Y348 HydrophobicContact CE2-CG 3.63Å; F297-Y348 HydrophobicContact CG-CG 4.22Å; F297-Y348 HydrophobicContact CZ-CD1 4Å; F297-Y348 AromaticContact CZ-CD2 3.56Å; F297-Y348 HydrophobicContact CZ-CD2 3.56Å; F297-Y348 HydrophobicContact CZ-CE1 4.46Å; F297-Y348 HydrophobicContact CZ-CE2 4.09Å; F297-Y348 AromaticContact CZ-CG 3.55Å; F297-Y348 HydrophobicContact CZ-CG 3.55Å; L344-Y348 HydrophobicContact CD1-CD2 4.08Å; L344-Y348 HydrophobicContact CD1-CE2 3.6Å; L344-Y348 HydrophobicContact CG-CD2 4.1Å; L344-Y348 HydrophobicContact CG-CE2 3.94Å; L344-Y348 WeakPolarHBondContact O-CD2 3.44Å; L344-Y348 PolarHBondContact O-N 3.37Å; I345-Y348 PolarHBondContact O-N 3.3Å; Y348-R350 PolarHBondContact O-N 3.38Å; Y348-L351 PolarHBondContact O-N 3.13Å; Y348-V352 WeakPolarHBondContact O-CG1 3.32Å; Y348-V352 WeakPolarHBondContact O-CG2 3.37Å; Y348-V352 PolarHBondContact O-N 2.76Å
349	C	98.1	Very high	96.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.8	-43.9	176.8	-67.6	0	0	0	0	112.1	F297 V300 I345 D346 N353 F359	F297-C349 PolarHBondContact O-SG 3.41Å; F297-C349 VanDerWaalsContact O-SG 3.41Å; V300-C349 VanDerWaalsContact CB-SG 3.58Å; I345-C349 WeakPolarHBondContact O-CB 3.3Å; I345-C349 PolarHBondContact O-N 3.24Å; I345-C349 PolarHBondContact O-SG 2.92Å; D346-C349 PolarHBondContact O-N 2.93Å; C349-N353 WeakPolarHBondContact O-CB 3.25Å; C349-N353 PolarHBondContact O-N 2.77Å; C349-N353 PolarHBondContact O-ND2 2.81Å; C349-F359 HydrophobicContact CB-CD1 4.34Å; C349-F359 HydrophobicContact CB-CD2 3.6Å; C349-F359 HydrophobicContact CB-CE1 4.44Å; C349-F359 HydrophobicContact CB-CE2 3.72Å; C349-F359 HydrophobicContact CB-CG 3.95Å; C349-F359 HydrophobicContact CB-CZ 4.16Å
350	R	97.4	Very high	96.3	Very high	17 Å²	17	32.1 Å²	32.1	6%	0.064	19%	0.194	C	C	.	.	H	α-helix	trans	-58.4	-47.5	172.1	-74.1	-175.7	-49.9	-119.2	5.5	111.8	H100 D346 G347 Y348 G354 T355 Q357	H100-R350 PolarHBondContact NE2-NH1 3.36Å; D346-R350 VanDerWaalsContact CG-NH1 3.33Å; D346-R350 WeakPolarHBondContact O-CB 3.33Å; D346-R350 VanDerWaalsContact O-CG 3.31Å; D346-R350 WeakPolarHBondContact O-CG 3.44Å; D346-R350 PolarHBondContact O-N 3.49Å; D346-R350 IonicContact OD2-CZ 2.7Å; D346-R350 IonicContact OD2-NH1 3.69Å; D346-R350 PolarHBondContact OD2-NH1 3.18Å; G347-R350 VanDerWaalsContact CA-NH2 3.35Å; G347-R350 PolarHBondContact O-N 3.17Å; Y348-R350 PolarHBondContact O-N 3.38Å; R350-G354 PolarHBondContact O-N 3.4Å; R350-T355 VanDerWaalsContact CB-O 3.31Å; R350-T355 WeakPolarHBondContact CB-O 3.19Å; R350-T355 PolarHBondContact O-N 3.41Å; R350-Q357 VanDerWaalsContact CG-O 3.32Å; R350-Q357 WeakPolarHBondContact CG-O 3.42Å
351	L	96.9	Very high	96	Very high	36 Å²	36	35.4 Å²	35.4	19%	0.188	21%	0.21	C	C	.	.	H	α-helix	trans	-63.7	-50.2	-177.7	-176.7	65.1	0	0	0	112.5	A82 P131 G347 Y348 N353 G354	A82-L351 HydrophobicContact CB-CD1 3.9Å; P131-L351 HydrophobicContact CB-CD2 4.24Å; G347-L351 VanDerWaalsContact O-CB 3.29Å; G347-L351 WeakPolarHBondContact O-CB 3.32Å; G347-L351 PolarHBondContact O-N 3.23Å; Y348-L351 PolarHBondContact O-N 3.13Å; L351-N353 PolarHBondContact O-N 3.29Å; L351-G354 PolarHBondContact O-N 2.7Å
352	V	96.6	Very high	94.6	Very high	68 Å²	68	41.1 Å²	41.1	41%	0.412	23%	0.232	S	C	.	.	H	α-helix	trans	-72.8	-27.6	-176.6	-57.2	0	0	0	0	113.4	F297 T298 Y348	F297-V352 HydrophobicContact CB-CG1 4.34Å; F297-V352 HydrophobicContact CB-CG2 3.92Å; T298-V352 HydrophobicContact CG2-CB 4.13Å; T298-V352 HydrophobicContact CG2-CG2 3.72Å; Y348-V352 WeakPolarHBondContact O-CG1 3.32Å; Y348-V352 WeakPolarHBondContact O-CG2 3.37Å; Y348-V352 PolarHBondContact O-N 2.76Å
353	N	95.4	Very high	92.7	Very high	80 Å²	80	45.7 Å²	45.7	43%	0.428	26%	0.262	S	S	.	.	H	α-helix	trans	-93	-3.3	177.7	-66	-70.2	0	0	0	113.4	C349 L351 T355 F359	C349-N353 WeakPolarHBondContact O-CB 3.25Å; C349-N353 PolarHBondContact O-N 2.77Å; C349-N353 PolarHBondContact O-ND2 2.81Å; L351-N353 PolarHBondContact O-N 3.29Å; N353-T355 VanDerWaalsContact C-N 3.29Å; N353-T355 HydrophobicContact CB-CG2 4.1Å; N353-T355 PolarHBondContact O-N 2.73Å; N353-F359 HydrophobicContact CB-CZ 4.34Å
354	G	94	Very high	89.8	Confident	75 Å²	75	55.3 Å²	55.3	77%	0.773	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	30.5	-179.5	0	0	0	0	0	114.2	R350 L351	R350-G354 PolarHBondContact O-N 3.4Å; L351-G354 PolarHBondContact O-N 2.7Å
355	T	94.5	Very high	86.9	Confident	47 Å²	47	62.8 Å²	62.8	29%	0.288	34%	0.339	S	S	.	.			trans	-114.8	147.8	-175.7	-176	0	0	0	0	112.3	R350 N353 Q357 F359	R350-T355 VanDerWaalsContact CB-O 3.31Å; R350-T355 WeakPolarHBondContact CB-O 3.19Å; R350-T355 PolarHBondContact O-N 3.41Å; N353-T355 VanDerWaalsContact C-N 3.29Å; N353-T355 HydrophobicContact CB-CG2 4.1Å; N353-T355 PolarHBondContact O-N 2.73Å; T355-Q357 PolarHBondContact OG1-N 3.48Å; T355-F359 HydrophobicContact CG2-CE2 3.67Å; T355-F359 HydrophobicContact CG2-CZ 4.14Å
356	S	89.1	Confident	83.7	Confident	75 Å²	75	72.5 Å²	72.5	52%	0.524	38%	0.384	S	S	.	.			trans	-86.3	-17.4	172.7	55.1	0	0	0	0	113.4	R66	R66-S356 PolarHBondContact NH1-O 3.41Å; R66-S356 PolarHBondContact NH2-O 3.45Å
357	Q	91.9	Very high	80.8	Confident	145 Å²	145	76.5 Å²	76.5	68%	0.678	43%	0.425	S	S	*	.	S	Bend	trans	-77.2	140.4	-175.3	-65.3	-177.9	-12.9	0	0	112	R350 T355	R350-Q357 VanDerWaalsContact CG-O 3.32Å; R350-Q357 WeakPolarHBondContact CG-O 3.42Å; T355-Q357 PolarHBondContact OG1-N 3.48Å
358	S	94.7	Very high	77.8	Confident	34 Å²	34	83.8 Å²	83.8	24%	0.238	46%	0.459	C	S	.	.			trans	-75.2	141.4	174.4	-178.1	0	0	0	0	112.2	H100 D346 I360	H100-S358 WeakPolarHBondContact CE1-CB 3.42Å; H100-S358 PolarHBondContact CE1-OG 3Å; H100-S358 VanDerWaalsContact NE2-CB 3.3Å; H100-S358 WeakPolarHBondContact NE2-CB 3.47Å; H100-S358 PolarHBondContact NE2-OG 2.8Å; D346-S358 WeakPolarHBondContact OD1-CA 3.26Å; D346-S358 VanDerWaalsContact OD2-CB 3.28Å; D346-S358 WeakPolarHBondContact OD2-CB 3.36Å; D346-S358 PolarHBondContact OD2-OG 2.84Å; S358-I360 VanDerWaalsContact C-N 3.31Å; S358-I360 WeakPolarHBondContact OG-CB 3.42Å; S358-I360 WeakPolarHBondContact OG-CG1 3.35Å; S358-I360 PolarHBondContact OG-N 3.47Å; S358-I360 VanDerWaalsContact OG-N 3.08Å
359	F	96.4	Very high	74.9	Confident	47 Å²	47	94.9 Å²	94.9	21%	0.206	50%	0.501	C	S	.	.			trans	-85.7	-2.1	170.6	-69	-109.4	0	0	0	112.2	T302 I303 D346 C349 N353 T355 I361	T302-F359 WeakPolarHBondContact CA-O 3.44Å; I303-F359 HydrophobicContact CD1-CB 4.02Å; I303-F359 HydrophobicContact CG1-CB 4.22Å; I303-F359 PolarHBondContact N-O 2.96Å; D346-F359 WeakPolarHBondContact OD1-CB 3.26Å; D346-F359 PolarHBondContact OD1-N 3.04Å; C349-F359 HydrophobicContact CB-CD1 4.34Å; C349-F359 HydrophobicContact CB-CD2 3.6Å; C349-F359 HydrophobicContact CB-CE1 4.44Å; C349-F359 HydrophobicContact CB-CE2 3.72Å; C349-F359 HydrophobicContact CB-CG 3.95Å; C349-F359 HydrophobicContact CB-CZ 4.16Å; N353-F359 HydrophobicContact CB-CZ 4.34Å; T355-F359 HydrophobicContact CG2-CE2 3.67Å; T355-F359 HydrophobicContact CG2-CZ 4.14Å; F359-I361 PolarHBondContact O-N 2.89Å
360	I	95.6	Very high	72	Confident	24 Å²	24	97.8 Å²	97.8	12%	0.123	53%	0.525	C	S	.	.	B	Isolated β-bridge	trans	-78.2	115.4	179.3	-57.8	173.6	0	0	0	110	I303 Y305 A342 D346 S358 R362	I303-I360 HydrophobicContact CB-CG1 4.05Å; I303-I360 HydrophobicContact CD1-CG1 4.43Å; I303-I360 HydrophobicContact CG2-CG1 4.06Å; I303-I360 CarbonylContact O-C 3.5Å; I303-I360 VanDerWaalsContact O-CA 3.31Å; I303-I360 WeakPolarHBondContact O-CA 3.38Å; Y305-I360 HydrophobicContact CD1-CG2 4.3Å; Y305-I360 HydrophobicContact CE1-CG2 3.89Å; A342-I360 HydrophobicContact CB-CD1 4.25Å; D346-I360 HydrophobicContact CB-CD1 4Å; D346-I360 HydrophobicContact CB-CG1 4Å; S358-I360 VanDerWaalsContact C-N 3.31Å; S358-I360 WeakPolarHBondContact OG-CB 3.42Å; S358-I360 WeakPolarHBondContact OG-CG1 3.35Å; S358-I360 PolarHBondContact OG-N 3.47Å; S358-I360 VanDerWaalsContact OG-N 3.08Å; I360-R362 PolarHBondContact O-N 3.27Å
361	I	90.3	Very high	69.4	Low	84 Å²	84	98.5 Å²	98.5	43%	0.431	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-73.7	127.5	174.3	-46.1	-179.2	0	0	0	109.3	T302 I303 F359	T302-I361 HydrophobicContact CG2-CD1 3.85Å; T302-I361 HydrophobicContact CG2-CG1 4.07Å; I303-I361 PolarHBondContact O-N 3.24Å; F359-I361 PolarHBondContact O-N 2.89Å
362	R	70.1	Confident	66.9	Low	121 Å²	121	100.5 Å²	100.5	46%	0.457	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-90	129.9	170.7	-57.2	-179.2	-169.9	172.6	3.9	109.4	D102 I360 Q364	D102-R362 IonicContact OD2-NH2 3.08Å; I360-R362 PolarHBondContact O-N 3.27Å; R362-Q364 PolarHBondContact O-N 2.61Å
363	P	56.9	Low	64.3	Low	97 Å²	97	97.3 Å²	97.3	63%	0.63	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-66.7	120.5	-179.4	25.6	-33.2	0	0	0	111.2	K365	P363-K365 VanDerWaalsContact C-N 3.26Å; P363-K365 PolarHBondContact O-N 3.35Å
364	Q	37.1	Very low	62	Low	203 Å²	203	95.2 Å²	95.2	95%	0.949	51%	0.514	S	S	*	.			trans	-89.7	51.1	179	-159.8	-178.6	14.8	0	0	111.6	R362	R362-Q364 PolarHBondContact O-N 2.61Å
365	K	37.1	Very low	59.3	Low	158 Å²	158	94.6 Å²	94.6	69%	0.687	50%	0.497	S	S	*	.			trans	-100.3	134.2	172.9	-88.8	-173.3	174.8	178.3	0	110.7	P363 G367	P363-K365 VanDerWaalsContact C-N 3.26Å; P363-K365 PolarHBondContact O-N 3.35Å; K365-G367 PolarHBondContact O-N 2.98Å
366	E	31.3	Very low	56.6	Low	206 Å²	206	102 Å²	102	96%	0.963	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	119.8	166.7	-66.6	-178.9	129.3	0	0	109.8
367	G	37.9	Very low	53.7	Low	84 Å²	84	106.9 Å²	106.9	87%	0.866	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	112.3	-16.9	166.2	0	0	0	0	0	117.5	K365	K365-G367 PolarHBondContact O-N 2.98Å
368	E	34.4	Very low	50.7	Low	155 Å²	155	104.6 Å²	104.6	72%	0.724	55%	0.55	S	S	*	.	S	Bend	trans	-108.8	147.7	-179.6	-71.6	-170.9	139.9	0	0	113.6	A370	E368-A370 PolarHBondContact O-N 3.12Å
369	R	37.6	Very low	47.5	Very low	236 Å²	236	110.9 Å²	110.9	89%	0.891	58%	0.581	S	S	*	*			trans	-70.2	122.2	-167.7	-63	174.9	-175.4	164	0.6	110.3
370	A	37.3	Very low	44.3	Very low	62 Å²	62	114.3 Å²	114.3	51%	0.512	61%	0.611	S	S	.	*			trans	-57.2	172.3	154.5	0	0	0	0	0	110.1	E368 P372	E368-A370 PolarHBondContact O-N 3.12Å; A370-P372 VanDerWaalsContact O-N 3.14Å
371	L	42.6	Very low	41.1	Very low	32 Å²	32	122.1 Å²	122.1	17%	0.168	65%	0.647	C	S	.	*			trans	-38.3	125.1	163.7	-91.8	166.9	0	0	0	108.8	M103 Y305 S373 I374	M103-L371 HydrophobicContact CE-CD2 4.06Å; M103-L371 HydrophobicContact CG-CD1 4.41Å; M103-L371 HydrophobicContact SD-CD2 4.2Å; Y305-L371 VanDerWaalsContact OH-CD2 3.27Å; Y305-L371 WeakPolarHBondContact OH-CD2 3.32Å; Y305-L371 VanDerWaalsContact OH-CG 3.31Å; Y305-L371 WeakPolarHBondContact OH-CG 3.38Å; L371-S373 PolarHBondContact O-N 3.26Å; L371-I374 HydrophobicContact CB-CD1 3.91Å; L371-I374 HydrophobicContact CB-CG1 3.9Å; L371-I374 HydrophobicContact CD1-CD1 3.67Å; L371-I374 HydrophobicContact CD1-CG1 4.42Å; L371-I374 HydrophobicContact CG-CD1 4.44Å
372	P	43.8	Very low	38.5	Very low	78 Å²	78	127.9 Å²	127.9	51%	0.506	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.5	-0.3	-166.4	-26.5	35.1	0	0	0	115.8	K111 A370	K111-P372 HydrophobicContact CD-CB 4.1Å; K111-P372 HydrophobicContact CD-CG 3.94Å; K111-P372 HydrophobicContact CG-CB 4.33Å; K111-P372 HydrophobicContact CG-CG 4.47Å; A370-P372 VanDerWaalsContact O-N 3.14Å
373	S	43.2	Very low	36.5	Very low	1 Å²	1	131.7 Å²	131.7	1%	0.007	69%	0.692	C	S	.	*	T	Hydrogen-bonded Turn	trans	-134.7	12.1	-159.5	-45.4	0	0	0	0	115.2	G104 S107 L371	G104-S373 WeakPolarHBondContact CA-O 3.44Å; G104-S373 PolarHBondContact N-O 2.88Å; S107-S373 VanDerWaalsContact C-OG 3.26Å; S107-S373 VanDerWaalsContact CB-CA 3.4Å; S107-S373 WeakPolarHBondContact O-CB 3.33Å; S107-S373 PolarHBondContact O-OG 3.27Å; L371-S373 PolarHBondContact O-N 3.26Å
374	I	46.8	Very low	35.3	Very low	35 Å²	35	131 Å²	131	18%	0.179	70%	0.701	C	S	.	*	P	Polyproline II helix	trans	-102.7	121.8	-179.3	-52.4	-168.8	0	0	0	111.3	M103 L371	M103-I374 HydrophobicContact CG-CG1 4.3Å; L371-I374 HydrophobicContact CB-CD1 3.91Å; L371-I374 HydrophobicContact CB-CG1 3.9Å; L371-I374 HydrophobicContact CD1-CD1 3.67Å; L371-I374 HydrophobicContact CD1-CG1 4.42Å; L371-I374 HydrophobicContact CG-CD1 4.44Å
375	P	37.4	Very low	34.7	Very low	62 Å²	62	129.3 Å²	129.3	40%	0.403	70%	0.696	S	S	.	*	P	Polyproline II helix	trans	-58.4	143.6	175.4	-25	34.6	0	0	0	113.2
376	K	36.5	Very low	34.4	Very low	204 Å²	204	132.1 Å²	132.1	89%	0.887	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-90.4	119.7	172.7	-68.3	-179.2	179.7	177.9	0	109.8	A378	K376-A378 PolarHBondContact O-N 3.32Å
377	L	29.3	Very low	34.4	Very low	177 Å²	177	128.6 Å²	128.6	93%	0.927	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-64.1	126.1	169.2	-83.4	123.6	0	0	0	110.6
378	A	28.6	Very low	33.9	Very low	96 Å²	96	133.3 Å²	133.3	79%	0.793	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-86.9	136.8	173.1	0	0	0	0	0	111	K376	K376-A378 PolarHBondContact O-N 3.32Å
379	N	27.6	Very low	33.7	Very low	167 Å²	167	131.1 Å²	131.1	89%	0.893	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-66.1	131.9	175.4	-86.8	-19.9	0	0	0	111.3	E381	N379-E381 PolarHBondContact O-N 3.09Å
380	S	29.3	Very low	33.1	Very low	119 Å²	119	126 Å²	126	83%	0.832	70%	0.697	S	S	*	*			trans	-85.5	105.5	172.4	-173.9	0	0	0	0	110.8
381	E	27.6	Very low	32.6	Very low	188 Å²	188	127.6 Å²	127.6	88%	0.879	71%	0.705	S	S	*	*			trans	-94.8	150.4	157.1	-75.6	-156.6	129.2	0	0	111.1	N379	N379-E381 PolarHBondContact O-N 3.09Å
382	K	37.3	Very low	32	Very low	205 Å²	205	133.4 Å²	133.4	89%	0.891	74%	0.741	S	S	*	*			trans	-80.5	125.2	-164.3	-62.7	166.7	-179.9	169.7	0	112.4
383	Q	26.9	Very low	31.7	Very low	201 Å²	201	133.9 Å²	133.9	94%	0.939	75%	0.746	S	S	*	*			trans	-146.6	126.4	145.9	-111.3	169	6.8	0	0	109.8
384	G	31.2	Very low	31.1	Very low	81 Å²	81	143 Å²	143	84%	0.835	79%	0.789	S	S	*	*			trans	-107.2	141.6	-174.7	0	0	0	0	0	112.4
385	M	26.2	Very low	30.7	Very low	169 Å²	169	145.8 Å²	145.8	83%	0.833	81%	0.808	S	S	*	*			trans	-146.9	134.2	161.5	-163.3	59.1	158.8	0	0	111.5
386	R	29.7	Very low	31.6	Very low	216 Å²	216	147.2 Å²	147.2	82%	0.815	81%	0.812	S	S	*	*			trans	-12.3	142.2	178.2	-66.7	173.4	176.4	170	-1	121.3
387	T	31	Very low	32.1	Very low	133 Å²	133	142.3 Å²	142.3	82%	0.816	80%	0.795	S	S	*	*			trans	-62.9	131.9	172.5	48.2	0	0	0	0	115.1
388	H	27.6	Very low	33.3	Very low	182 Å²	182	138.5 Å²	138.5	84%	0.843	77%	0.769	S	S	*	*			trans	-129.2	140.1	146.2	-90.3	-86.4	0	0	0	108.6	V390	H388-V390 PolarHBondContact O-N 2.88Å
389	A	30.9	Very low	34.4	Very low	110 Å²	110	134.6 Å²	134.6	91%	0.909	74%	0.737	S	S	*	*			trans	-77.3	112.8	-179.5	0	0	0	0	0	110.4
390	V	25.4	Very low	36.4	Very low	127 Å²	127	129.6 Å²	129.6	77%	0.77	71%	0.708	S	S	*	*			trans	-125.4	151.4	170.3	179.2	0	0	0	0	108.1	H388	H388-V390 PolarHBondContact O-N 2.88Å
391	S	26.6	Very low	38.4	Very low	96 Å²	96	125.9 Å²	125.9	67%	0.671	68%	0.678	S	S	*	*			trans	-54.7	145.3	-176	42.4	0	0	0	0	114.6	S393	S391-S393 PolarHBondContact O-N 3.4Å; S391-S393 VanDerWaalsContact O-N 3.11Å
392	V	30.2	Very low	40.3	Very low	155 Å²	155	118.5 Å²	118.5	94%	0.939	65%	0.645	S	S	*	*	S	Bend	trans	-75.4	92.7	178.2	-177.5	0	0	0	0	110.7
393	S	36.7	Very low	41.2	Very low	87 Å²	87	112.5 Å²	112.5	61%	0.608	62%	0.622	S	S	*	*			trans	-164.8	36.1	167.2	69.1	0	0	0	0	116.1	S391	S391-S393 PolarHBondContact O-N 3.4Å; S391-S393 VanDerWaalsContact O-N 3.11Å
394	E	31.3	Very low	42.2	Very low	192 Å²	192	106.5 Å²	106.5	90%	0.897	59%	0.594	S	S	*	*			trans	-132.7	85.9	173.2	-71.5	-172	162.2	0	0	111.5
395	T	38.6	Very low	42.8	Very low	95 Å²	95	107.6 Å²	107.6	58%	0.583	58%	0.578	S	S	*	*			trans	-129.3	139.4	162.5	64.2	0	0	0	0	109.3	D397 Y398	T395-D397 WeakPolarHBondContact CB-OD1 3.3Å; T395-D397 PolarHBondContact O-N 3.32Å; T395-D397 PolarHBondContact OG1-OD1 3.08Å; T395-Y398 WeakPolarHBondContact O-CB 3.45Å; T395-Y398 PolarHBondContact O-N 3.45Å
396	D	55.1	Low	43.5	Very low	92 Å²	92	103.2 Å²	103.2	49%	0.492	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.6	-6.7	-168.6	-166.3	21.4	0	0	0	114	G60 D61 A62	G60-D396 CarbonylContact C-O 3.52Å; G60-D396 WeakPolarHBondContact CA-O 3.45Å; D61-D396 WeakPolarHBondContact CB-OD1 3.38Å; D61-D396 PolarHBondContact N-O 3.31Å; D61-D396 PolarHBondContact N-OD1 3.1Å; D61-D396 VanDerWaalsContact N-OD1 3.15Å; A62-D396 HydrophobicContact CB-CB 4.07Å; A62-D396 WeakPolarHBondContact CB-O 3.42Å; A62-D396 PolarHBondContact N-O 3.37Å
397	D	47.1	Very low	43.8	Very low	100 Å²	100	98.7 Å²	98.7	54%	0.535	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91	-1.9	176.6	59.5	-14	0	0	0	113.8	T63 T395	T63-D397 PolarHBondContact OG1-O 3.42Å; T395-D397 WeakPolarHBondContact CB-OD1 3.3Å; T395-D397 PolarHBondContact O-N 3.32Å; T395-D397 PolarHBondContact OG1-OD1 3.08Å
398	Y	55.3	Low	44.2	Very low	98 Å²	98	99.1 Å²	99.1	38%	0.384	54%	0.542	S	S	.	.			trans	-50	134.3	-173.9	179.7	-95.9	0	0	0	115.2	H59 G60 T63 T395 E400	H59-Y398 CarbonylContact C-O 3.5Å; H59-Y398 VanDerWaalsContact CA-O 3.31Å; H59-Y398 WeakPolarHBondContact CA-O 3.48Å; G60-Y398 PolarHBondContact N-O 3.37Å; T63-Y398 PolarHBondContact OG1-O 2.96Å; T395-Y398 WeakPolarHBondContact O-CB 3.45Å; T395-Y398 PolarHBondContact O-N 3.45Å; Y398-E400 HydrophobicContact CE1-CB 3.6Å; Y398-E400 WeakPolarHBondContact OH-CB 3.34Å; Y398-E400 PolarHBondContact OH-OE1 2.93Å; Y398-E400 PolarHBondContact OH-OE2 3.49Å
399	A	50.6	Low	44.7	Very low	13 Å²	13	96.6 Å²	96.6	11%	0.107	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	134.3	170.7	0	0	0	0	0	112.2	I57 R58 T63 I68 K71	I57-A399 HydrophobicContact CG2-CB 4.41Å; R58-A399 WeakPolarHBondContact O-CA 3.12Å; T63-A399 HydrophobicContact CG2-CB 4.15Å; I68-A399 HydrophobicContact CD1-CB 4.5Å; K71-A399 WeakPolarHBondContact CD-O 3.13Å; K71-A399 WeakPolarHBondContact CE-O 3.34Å; K71-A399 PolarHBondContact NZ-O 3.38Å
400	E	70.3	Confident	45.1	Very low	63 Å²	63	94.4 Å²	94.4	29%	0.294	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	132.4	-177.6	175.6	174.8	-119.5	0	0	110.9	I57 R58 Y398	I57-E400 CarbonylContact C-O 3.45Å; I57-E400 VanDerWaalsContact CA-O 3.27Å; I57-E400 WeakPolarHBondContact CA-O 2.81Å; R58-E400 HydrophobicContact CB-CB 4.46Å; R58-E400 IonicContact CZ-OE2 2.71Å; R58-E400 PolarHBondContact N-O 2.86Å; R58-E400 IonicContact NH1-OE2 2.71Å; R58-E400 PolarHBondContact NH1-OE2 2.8Å; R58-E400 PolarHBondContact O-N 3.06Å; Y398-E400 HydrophobicContact CE1-CB 3.6Å; Y398-E400 WeakPolarHBondContact OH-CB 3.34Å; Y398-E400 PolarHBondContact OH-OE1 2.93Å; Y398-E400 PolarHBondContact OH-OE2 3.49Å
401	I	70.1	Confident	45.8	Very low	40 Å²	40	92.4 Å²	92.4	21%	0.205	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	127.8	172	-63.7	166.7	0	0	0	107.8	I56 I57 K71	I56-I401 CarbonylContact O-C 3.57Å; I56-I401 WeakPolarHBondContact O-CA 3.02Å; I57-I401 HydrophobicContact CG1-CG1 4.24Å; K71-I401 HydrophobicContact CG-CD1 4.01Å; K71-I401 HydrophobicContact CG-CG1 3.89Å; K71-I401 WeakPolarHBondContact O-CD1 3.33Å
402	I	69.1	Low	46.7	Very low	34 Å²	34	91.5 Å²	91.5	17%	0.174	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	125.9	170.8	-60.8	169.2	0	0	0	107.2	I56 R58 E404	I56-I402 HydrophobicContact CB-CB 4.11Å; I56-I402 HydrophobicContact CG2-CB 3.92Å; I56-I402 HydrophobicContact CG2-CD1 3.91Å; I56-I402 HydrophobicContact CG2-CG1 4.36Å; I56-I402 PolarHBondContact O-N 3.34Å; R58-I402 HydrophobicContact CB-CD1 4.08Å; I402-E404 PolarHBondContact O-N 3.2Å
403	D	56.3	Low	47.8	Very low	78 Å²	78	85.5 Å²	85.5	42%	0.417	46%	0.458	S	S	.	.			trans	-73.4	115.3	176	-78.1	-25.4	0	0	0	109.1	E405 D406 S464	D403-E405 PolarHBondContact O-N 3.29Å; D403-D406 PolarHBondContact O-N 2.91Å; D403-S464 VanDerWaalsContact OD2-CB 3.26Å; D403-S464 WeakPolarHBondContact OD2-CB 3.49Å; D403-S464 PolarHBondContact OD2-OG 2.84Å
404	E	46.9	Very low	48.6	Very low	75 Å²	75	91.3 Å²	91.3	35%	0.35	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-60.4	0.3	-175.6	-86.6	-170.2	177.4	0	0	116.5	K39 I56 I402 D406	K39-E404 IonicContact NZ-OE1 2.68Å; K39-E404 PolarHBondContact NZ-OE1 3.38Å; K39-E404 IonicContact NZ-OE2 3.6Å; K39-E404 PolarHBondContact NZ-OE2 3.36Å; I56-E404 HydrophobicContact CB-CG 4.46Å; I56-E404 HydrophobicContact CD1-CG 3.46Å; I56-E404 VanDerWaalsContact CD1-CG 3.46Å; I56-E404 WeakPolarHBondContact CD1-OE1 3.38Å; I56-E404 HydrophobicContact CG1-CG 3.62Å; I56-E404 WeakPolarHBondContact CG1-OE1 3.44Å; I402-E404 PolarHBondContact O-N 3.2Å; E404-D406 VanDerWaalsContact C-N 3.26Å; E404-D406 PolarHBondContact O-N 3.32Å
405	E	44.3	Very low	50	Low	104 Å²	104	87.8 Å²	87.8	49%	0.486	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-71.6	-18.9	172.5	-84.6	175.4	129	0	0	113.2	D403 T407 K468	D403-E405 PolarHBondContact O-N 3.29Å; E405-T407 PolarHBondContact O-N 3.12Å; E405-K468 WeakPolarHBondContact OE2-CE 3.28Å; E405-K468 IonicContact OE2-NZ 2.66Å; E405-K468 PolarHBondContact OE2-NZ 2.94Å
406	D	41.1	Very low	51.6	Low	78 Å²	78	87.3 Å²	87.3	42%	0.417	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-60.5	8.6	-179.2	-69.6	-25.1	0	0	0	115.8	D403 E404 Y408	D403-D406 PolarHBondContact O-N 2.91Å; E404-D406 VanDerWaalsContact C-N 3.26Å; E404-D406 PolarHBondContact O-N 3.32Å; D406-Y408 VanDerWaalsContact C-N 3.29Å; D406-Y408 PolarHBondContact O-N 3.37Å
407	T	34.9	Very low	52.8	Low	121 Å²	121	87 Å²	87	74%	0.742	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-80.8	-5.7	178.1	-42.7	0	0	0	0	112.8	E405 T409	E405-T407 PolarHBondContact O-N 3.12Å; T407-T409 VanDerWaalsContact C-N 3.26Å; T407-T409 PolarHBondContact O-N 3.46Å
408	Y	39.1	Very low	54.4	Low	142 Å²	142	82.9 Å²	82.9	56%	0.557	42%	0.416	S	S	*	.			trans	-77	77.1	169.1	-87	-90.3	0	0	0	111.1	D406 M410 E467	D406-Y408 VanDerWaalsContact C-N 3.29Å; D406-Y408 PolarHBondContact O-N 3.37Å; Y408-M410 VanDerWaalsContact C-N 3.31Å; Y408-M410 PolarHBondContact O-N 3.3Å; Y408-E467 WeakPolarHBondContact CB-OE1 3.36Å
409	T	39.1	Very low	55.2	Low	129 Å²	129	83.3 Å²	83.3	79%	0.791	42%	0.421	S	S	*	.			trans	-59.3	96.6	164.1	-49.5	0	0	0	0	108.8	T407 P411	T407-T409 VanDerWaalsContact C-N 3.26Å; T407-T409 PolarHBondContact O-N 3.46Å; T409-P411 VanDerWaalsContact O-CD 3.25Å; T409-P411 WeakPolarHBondContact O-CD 3.41Å; T409-P411 VanDerWaalsContact O-N 3.07Å
410	M	38	Very low	56.7	Low	63 Å²	63	85.3 Å²	85.3	31%	0.31	43%	0.426	S	S	.	.			trans	-47.2	113.3	-177.2	-72.1	-74.1	-70.7	0	0	110.8	Y408 S412 T413 L470 L474	Y408-M410 VanDerWaalsContact C-N 3.31Å; Y408-M410 PolarHBondContact O-N 3.3Å; M410-S412 PolarHBondContact O-N 3.47Å; M410-S412 VanDerWaalsContact O-N 3.15Å; M410-T413 HydrophobicContact CE-CG2 3.49Å; M410-T413 VanDerWaalsContact CE-CG2 3.49Å; M410-L470 HydrophobicContact CE-CD1 4.44Å; M410-L474 HydrophobicContact CE-CD2 3.98Å; M410-L474 HydrophobicContact SD-CD1 3.77Å; M410-L474 HydrophobicContact SD-CD2 4.06Å; M410-L474 HydrophobicContact SD-CG 4.29Å
411	P	41.8	Very low	57.1	Low	86 Å²	86	89.1 Å²	89.1	56%	0.558	44%	0.444	S	S	*	.			trans	-59.3	122.8	169.2	-19.3	31.8	0	0	0	107.4	T409 T413	T409-P411 VanDerWaalsContact O-CD 3.25Å; T409-P411 WeakPolarHBondContact O-CD 3.41Å; T409-P411 VanDerWaalsContact O-N 3.07Å; P411-T413 PolarHBondContact O-N 2.97Å
412	S	45.6	Very low	57.7	Low	76 Å²	76	90.8 Å²	90.8	53%	0.531	45%	0.448	S	S	.	.			trans	-38.9	120.9	-160.3	58.9	0	0	0	0	113.6	M410 R414	M410-S412 PolarHBondContact O-N 3.47Å; M410-S412 VanDerWaalsContact O-N 3.15Å; S412-R414 PolarHBondContact O-N 3.22Å
413	T	51.4	Low	58.6	Low	30 Å²	30	89.9 Å²	89.9	18%	0.184	44%	0.443	C	S	.	.	G	3₁₀ helix	trans	-61.5	-10.4	-174.7	40	0	0	0	0	115	M410 P411 D415 Y416 E417 T492	M410-T413 HydrophobicContact CE-CG2 3.49Å; M410-T413 VanDerWaalsContact CE-CG2 3.49Å; P411-T413 PolarHBondContact O-N 2.97Å; T413-D415 PolarHBondContact O-N 3.2Å; T413-Y416 PolarHBondContact O-N 3.38Å; T413-E417 WeakPolarHBondContact CB-OE2 3.37Å; T413-E417 WeakPolarHBondContact O-CB 3.4Å; T413-E417 PolarHBondContact O-N 2.84Å; T413-E417 PolarHBondContact OG1-OE2 3.47Å; T413-T492 HydrophobicContact CG2-CG2 3.92Å
414	R	54.5	Low	60.2	Low	208 Å²	208	91.7 Å²	91.7	79%	0.785	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-44.4	-32.1	-172.1	-66.1	-178.6	176.6	-172.5	-0.6	116	S412	S412-R414 PolarHBondContact O-N 3.22Å
415	D	60	Low	62.2	Low	118 Å²	118	91.7 Å²	91.7	63%	0.631	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-81	-18.7	-179.1	-49.4	-32	0	0	0	114.1	T413 R477	T413-D415 PolarHBondContact O-N 3.2Å; D415-R477 IonicContact OD2-NH2 2.63Å; D415-R477 PolarHBondContact OD2-NH2 2.97Å
416	Y	73.6	Confident	64.4	Low	86 Å²	86	88.1 Å²	88.1	34%	0.337	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.2	4.5	-174.9	-73.5	-92.8	0	0	0	113.1	T413 R477 L487 G489 V490	T413-Y416 PolarHBondContact O-N 3.38Å; Y416-R477 HydrophobicContact CD2-CG 4.38Å; Y416-R477 HydrophobicContact CE1-CG 4.45Å; Y416-R477 HydrophobicContact CE2-CG 4.03Å; Y416-R477 VanDerWaalsContact CE2-NE 3.3Å; Y416-L487 HydrophobicContact CD1-CD2 4.33Å; Y416-G489 CarbonylContact O-C 3.6Å; Y416-G489 WeakPolarHBondContact O-CA 3.46Å; Y416-V490 PolarHBondContact O-N 3.31Å
417	E	79.9	Confident	66.9	Low	84 Å²	84	92.9 Å²	92.9	39%	0.393	45%	0.454	S	S	.	.	B	Isolated β-bridge	trans	-81	121.2	-177.4	-171.5	144.8	-141.3	0	0	110.9	T413 V490 T492	T413-E417 WeakPolarHBondContact CB-OE2 3.37Å; T413-E417 WeakPolarHBondContact O-CB 3.4Å; T413-E417 PolarHBondContact O-N 2.84Å; T413-E417 PolarHBondContact OG1-OE2 3.47Å; E417-V490 WeakPolarHBondContact CA-O 3.35Å; E417-T492 WeakPolarHBondContact OE1-CB 3.38Å; E417-T492 VanDerWaalsContact OE1-CG2 3.27Å; E417-T492 WeakPolarHBondContact OE1-CG2 3.42Å; E417-T492 PolarHBondContact OE1-OG1 3.24Å
418	I	79.8	Confident	69.5	Low	14 Å²	14	89.8 Å²	89.8	7%	0.072	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-103.6	136.8	-178	-69.5	173.5	0	0	0	109.1	I423 Y442 I488 V490 I491 I499	I418-I423 HydrophobicContact CG2-CD1 4.19Å; I418-I423 HydrophobicContact CG2-CG1 3.94Å; I418-Y442 HydrophobicContact CD1-CE2 4.29Å; I418-Y442 HydrophobicContact CG1-CE2 4.37Å; I418-Y442 HydrophobicContact CG2-CD2 4.27Å; I418-Y442 HydrophobicContact CG2-CE2 3.87Å; I418-I488 HydrophobicContact CD1-CG2 4.24Å; I418-V490 PolarHBondContact N-O 3.49Å; I418-I491 HydrophobicContact CB-CG1 4.19Å; I418-I491 HydrophobicContact CG2-CD1 4.49Å; I418-I491 HydrophobicContact CG2-CG1 4.29Å; I418-I491 WeakPolarHBondContact O-CG1 3.46Å; I418-I499 HydrophobicContact CD1-CB 4.09Å; I418-I499 HydrophobicContact CD1-CG1 3.89Å; I418-I499 HydrophobicContact CD1-CG2 4.4Å
419	Q	72.8	Confident	71.9	Confident	108 Å²	108	86.7 Å²	86.7	51%	0.505	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-72.3	128.5	169	-72.1	175.9	-29	0	0	109.6	E421 R422	Q419-E421 PolarHBondContact O-N 3.33Å; Q419-R422 HydrophobicContact CB-CG 4.08Å; Q419-R422 WeakPolarHBondContact O-CB 3.17Å; Q419-R422 PolarHBondContact O-N 3.43Å
420	R	82.4	Confident	73.9	Confident	54 Å²	54	82 Å²	82	20%	0.204	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-59.1	-32	-173.9	178.9	174.3	-81.1	139.5	-5.9	112.6	R422 I423 I491 E493 N494 P495 W497	R420-R422 PolarHBondContact O-N 3.46Å; R420-I423 PolarHBondContact O-N 3.44Å; R420-I491 HydrophobicContact CB-CD1 4.19Å; R420-I491 HydrophobicContact CB-CG2 4.41Å; R420-I491 HydrophobicContact CG-CD1 4.44Å; R420-E493 IonicContact NH1-OE2 3.76Å; R420-E493 PolarHBondContact NH1-OE2 3.39Å; R420-E493 PolarHBondContact NH2-O 3.08Å; R420-N494 PolarHBondContact NH1-O 2.95Å; R420-N494 PolarHBondContact NH2-O 3.44Å; R420-P495 PolarHBondContact NH2-O 3.06Å; R420-W497 HydrophobicContact CG-CH2 4.13Å; R420-W497 HydrophobicContact CG-CZ3 4.14Å
421	E	78.8	Confident	75.7	Confident	143 Å²	143	86.7 Å²	86.7	67%	0.668	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-64.5	-18.7	179.1	-57	66	-138.9	0	0	112.6	Q419 I423	Q419-E421 PolarHBondContact O-N 3.33Å; E421-I423 VanDerWaalsContact C-N 3.29Å
422	R	81.6	Confident	76.8	Confident	76 Å²	76	84.1 Å²	84.1	29%	0.287	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-84.1	-1.1	176	-59.3	-176.4	-170.9	-163.2	-1.1	113.2	Q419 R420 Y442 M443 P445	Q419-R422 HydrophobicContact CB-CG 4.08Å; Q419-R422 WeakPolarHBondContact O-CB 3.17Å; Q419-R422 PolarHBondContact O-N 3.43Å; R420-R422 PolarHBondContact O-N 3.46Å; R422-Y442 HydrophobicContact CB-CD2 4.04Å; R422-Y442 HydrophobicContact CB-CE2 3.82Å; R422-Y442 WeakPolarHBondContact O-CA 3.32Å; R422-M443 WeakPolarHBondContact CB-O 3.19Å; R422-M443 PolarHBondContact O-N 2.98Å; R422-P445 VanDerWaalsContact NH1-CD 3.29Å
423	I	88.5	Confident	77.5	Confident	14 Å²	14	89.1 Å²	89.1	7%	0.072	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	114.7	-178.2	-61.2	-67.8	0	0	0	110	I418 R420 E421 L425 I441 Y442 V452 I454 I491 W497 I499	I418-I423 HydrophobicContact CG2-CD1 4.19Å; I418-I423 HydrophobicContact CG2-CG1 3.94Å; R420-I423 PolarHBondContact O-N 3.44Å; E421-I423 VanDerWaalsContact C-N 3.29Å; I423-L425 PolarHBondContact O-N 3.36Å; I423-I441 WeakPolarHBondContact CA-O 3.44Å; I423-Y442 HydrophobicContact CD1-CD2 3.61Å; I423-Y442 HydrophobicContact CD1-CG 4.03Å; I423-V452 HydrophobicContact CD1-CG2 4.49Å; I423-I454 HydrophobicContact CG2-CD1 3.39Å; I423-I454 HydrophobicContact CG2-CG1 4.25Å; I423-I491 HydrophobicContact CG1-CD1 4.04Å; I423-W497 HydrophobicContact CB-CZ3 4.09Å; I423-W497 HydrophobicContact CG2-CE3 4.08Å; I423-W497 HydrophobicContact CG2-CZ3 3.73Å; I423-I499 HydrophobicContact CD1-CD1 4.07Å; I423-I499 HydrophobicContact CD1-CG1 4.25Å; I423-I499 HydrophobicContact CD1-CG2 4.13Å; I423-I499 HydrophobicContact CG1-CD1 4.25Å
424	E	89.5	Confident	77.7	Confident	117 Å²	117	92.4 Å²	92.4	55%	0.547	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	110.4	163.6	-167.9	-175.6	156.4	0	0	108.8	G426 G440 I441	E424-G426 PolarHBondContact O-N 3.42Å; E424-G440 CarbonylContact O-C 3.59Å; E424-G440 WeakPolarHBondContact O-CA 3.37Å; E424-I441 HydrophobicContact CB-CB 4.15Å; E424-I441 PolarHBondContact N-O 3.49Å; E424-I441 PolarHBondContact O-N 2.86Å
425	L	89.8	Confident	78.5	Confident	74 Å²	74	82.5 Å²	82.5	39%	0.387	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	114.7	178.2	-173.6	70	0	0	0	110.2	I423 H438 I454 T456 W497	I423-L425 PolarHBondContact O-N 3.36Å; L425-H438 HydrophobicContact CD1-CB 3.55Å; L425-H438 HydrophobicContact CG-CB 4.43Å; L425-I454 HydrophobicContact CD1-CB 4.18Å; L425-I454 HydrophobicContact CD1-CD1 3.68Å; L425-I454 HydrophobicContact CD1-CG2 3.97Å; L425-T456 HydrophobicContact CD1-CG2 4.48Å; L425-W497 HydrophobicContact CB-CH2 4.32Å; L425-W497 HydrophobicContact CD2-CH2 4.16Å; L425-W497 HydrophobicContact CD2-CZ2 4.15Å
426	G	91.1	Very high	79.7	Confident	30 Å²	30	78.3 Å²	78.3	31%	0.309	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-158.7	176.7	0	0	0	0	0	113.5	E424 H438 Q439	E424-G426 PolarHBondContact O-N 3.42Å; G426-H438 PolarHBondContact O-CD2 3.04Å; G426-Q439 CarbonylContact C-O 3.57Å; G426-Q439 WeakPolarHBondContact CA-O 3.28Å; G426-Q439 PolarHBondContact N-O 2.93Å
427	R	92.2	Very high	80.5	Confident	178 Å²	178	75.7 Å²	75.7	67%	0.672	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.9	151.6	180	65.2	178.1	177.2	-171.3	-2.2	113	I429 H438 Q439	R427-I429 HydrophobicContact CG-CG2 4.28Å; R427-H438 WeakPolarHBondContact O-CA 3.5Å; R427-Q439 HydrophobicContact CG-CG 3.72Å; R427-Q439 PolarHBondContact O-N 2.95Å
428	C	90.6	Very high	81	Confident	55 Å²	55	73.2 Å²	73.2	37%	0.372	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	137.3	164.2	-174.8	0	0	0	0	110	G430 H438	C428-G430 PolarHBondContact SG-O 2.94Å; C428-H438 PolarHBondContact N-CD2 2.85Å
429	I	88.4	Confident	81.7	Confident	78 Å²	78	75.4 Å²	75.4	40%	0.4	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	-6.8	179	60.7	171.8	0	0	0	112.9	R427 V437 Q439 L502	R427-I429 HydrophobicContact CG-CG2 4.28Å; I429-V437 HydrophobicContact CD1-CG1 4.1Å; I429-V437 HydrophobicContact CG1-CB 4.33Å; I429-V437 HydrophobicContact CG1-CG1 3.96Å; I429-V437 VanDerWaalsContact CG1-O 3.28Å; I429-V437 WeakPolarHBondContact CG1-O 3.41Å; I429-V437 PolarHBondContact N-O 3.4Å; I429-Q439 HydrophobicContact CD1-CB 4.27Å; I429-Q439 HydrophobicContact CG2-CB 3.92Å; I429-Q439 HydrophobicContact CG2-CG 3.93Å; I429-L502 HydrophobicContact CD1-CD1 3.74Å
430	G	80.9	Confident	82.7	Confident	29 Å²	29	70.7 Å²	70.7	30%	0.299	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	149.9	173.1	0	0	0	0	0	112.5	C428 V437	C428-G430 PolarHBondContact SG-O 2.94Å; G430-V437 PolarHBondContact N-O 3.04Å; G430-V437 VanDerWaalsContact N-O 3.16Å; G430-V437 PolarHBondContact O-N 3.37Å
431	E	77.2	Confident	83.3	Confident	163 Å²	163	71.2 Å²	71.2	76%	0.762	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	121.4	179.2	-57.6	-171.5	177.2	0	0	110.4
432	G	64.5	Low	83.8	Confident	31 Å²	31	66.2 Å²	66.2	32%	0.32	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	162.3	179.6	0	0	0	0	0	113.2	F434 G435	G432-F434 PolarHBondContact O-N 3.11Å; G432-G435 CarbonylContact C-O 3.57Å; G432-G435 WeakPolarHBondContact CA-O 3.44Å; G432-G435 PolarHBondContact N-O 3.03Å; G432-G435 PolarHBondContact O-N 3.01Å
433	Q	59.6	Low	84	Confident	181 Å²	181	66.9 Å²	66.9	85%	0.846	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-32	-179.9	-178.8	177.5	-18	0	0	113.4
434	F	55.9	Low	83.4	Confident	99 Å²	99	67.5 Å²	67.5	43%	0.434	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-8.5	-177.2	-57.4	-78.2	0	0	0	113.5	G432 K458 F469	G432-F434 PolarHBondContact O-N 3.11Å; F434-K458 PolarHBondContact O-N 3.04Å; F434-F469 HydrophobicContact CB-CD2 4.08Å; F434-F469 HydrophobicContact CB-CE2 4.35Å
435	G	71.3	Confident	82.4	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.6	158.2	-167.1	0	0	0	0	0	113.4	G432 T456	G432-G435 CarbonylContact C-O 3.57Å; G432-G435 WeakPolarHBondContact CA-O 3.44Å; G432-G435 PolarHBondContact N-O 3.03Å; G432-G435 PolarHBondContact O-N 3.01Å; G435-T456 CarbonylContact C-O 3.5Å; G435-T456 WeakPolarHBondContact CA-O 3.2Å
436	D	85.4	Confident	81.6	Confident	30 Å²	30	71.2 Å²	71.2	16%	0.16	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	157.4	170.3	-67.9	-34.1	0	0	0	111.4	K455 T456 K458	D436-K455 CarbonylContact O-C 3.56Å; D436-K455 WeakPolarHBondContact O-CA 3.45Å; D436-T456 PolarHBondContact N-O 3.04Å; D436-T456 PolarHBondContact O-N 2.96Å; D436-T456 PolarHBondContact O-OG1 3.42Å; D436-K458 VanDerWaalsContact CG-NZ 3.27Å; D436-K458 WeakPolarHBondContact OD1-CE 3.39Å; D436-K458 IonicContact OD1-NZ 3.27Å; D436-K458 PolarHBondContact OD1-NZ 2.89Å; D436-K458 WeakPolarHBondContact OD2-CE 3.49Å; D436-K458 IonicContact OD2-NZ 3.09Å; D436-K458 PolarHBondContact OD2-NZ 3.32Å
437	V	89.8	Confident	80.9	Confident	32 Å²	32	74.6 Å²	74.6	19%	0.194	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.5	172.2	-173.5	0	0	0	0	107.7	I429 G430 A453 I454 K455	I429-V437 HydrophobicContact CD1-CG1 4.1Å; I429-V437 HydrophobicContact CG1-CB 4.33Å; I429-V437 HydrophobicContact CG1-CG1 3.96Å; I429-V437 VanDerWaalsContact CG1-O 3.28Å; I429-V437 WeakPolarHBondContact CG1-O 3.41Å; I429-V437 PolarHBondContact N-O 3.4Å; G430-V437 PolarHBondContact N-O 3.04Å; G430-V437 VanDerWaalsContact N-O 3.16Å; G430-V437 PolarHBondContact O-N 3.37Å; V437-A453 HydrophobicContact CG1-CB 4.36Å; V437-I454 CarbonylContact C-O 3.56Å; V437-I454 WeakPolarHBondContact CA-O 3.28Å; V437-K455 HydrophobicContact CG2-CG 4.2Å
438	H	91.7	Very high	80.5	Confident	31 Å²	31	71.4 Å²	71.4	14%	0.144	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	151.5	177.7	-63	77.4	0	0	0	110.3	L425 G426 R427 C428 A453 I454	L425-H438 HydrophobicContact CD1-CB 3.55Å; L425-H438 HydrophobicContact CG-CB 4.43Å; G426-H438 PolarHBondContact O-CD2 3.04Å; R427-H438 WeakPolarHBondContact O-CA 3.5Å; C428-H438 PolarHBondContact N-CD2 2.85Å; H438-A453 CarbonylContact O-C 3.56Å; H438-A453 WeakPolarHBondContact O-CA 3.38Å; H438-I454 HydrophobicContact CB-CB 4.39Å; H438-I454 PolarHBondContact N-O 2.76Å; H438-I454 PolarHBondContact O-N 3.46Å
439	Q	94.5	Very high	80.4	Confident	61 Å²	61	72.3 Å²	72.3	29%	0.285	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	154.5	159.7	62.1	176.2	63.2	0	0	109	G426 R427 I429 V452 L502	G426-Q439 CarbonylContact C-O 3.57Å; G426-Q439 WeakPolarHBondContact CA-O 3.28Å; G426-Q439 PolarHBondContact N-O 2.93Å; R427-Q439 HydrophobicContact CG-CG 3.72Å; R427-Q439 PolarHBondContact O-N 2.95Å; I429-Q439 HydrophobicContact CD1-CB 4.27Å; I429-Q439 HydrophobicContact CG2-CB 3.92Å; I429-Q439 HydrophobicContact CG2-CG 3.93Å; Q439-V452 CarbonylContact C-O 3.46Å; Q439-L502 HydrophobicContact CB-CD1 4.34Å; Q439-L502 HydrophobicContact CB-CD2 4.23Å
440	G	94.2	Very high	80.4	Confident	8 Å²	8	72.6 Å²	72.6	8%	0.082	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	-173.7	173.2	0	0	0	0	0	113.2	E424 V452	E424-G440 CarbonylContact O-C 3.59Å; E424-G440 WeakPolarHBondContact O-CA 3.37Å; G440-V452 PolarHBondContact N-O 3.23Å; G440-V452 PolarHBondContact O-N 2.82Å
441	I	92.9	Very high	81.1	Confident	65 Å²	65	73.7 Å²	73.7	33%	0.333	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127	179.3	-55.8	178.8	0	0	0	108.9	I423 E424 A449 L450	I423-I441 WeakPolarHBondContact CA-O 3.44Å; E424-I441 HydrophobicContact CB-CB 4.15Å; E424-I441 PolarHBondContact N-O 3.49Å; E424-I441 PolarHBondContact O-N 2.86Å; I441-A449 HydrophobicContact CG2-CB 3.74Å; I441-L450 CarbonylContact C-O 3.5Å; I441-L450 WeakPolarHBondContact CA-O 3.27Å
442	Y	90.9	Very high	81.9	Confident	39 Å²	39	66 Å²	66	15%	0.153	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.2	171.4	174.9	-131.6	0	0	0	110.6	I418 R422 I423 A449 L450 I488	I418-Y442 HydrophobicContact CD1-CE2 4.29Å; I418-Y442 HydrophobicContact CG1-CE2 4.37Å; I418-Y442 HydrophobicContact CG2-CD2 4.27Å; I418-Y442 HydrophobicContact CG2-CE2 3.87Å; R422-Y442 HydrophobicContact CB-CD2 4.04Å; R422-Y442 HydrophobicContact CB-CE2 3.82Å; R422-Y442 WeakPolarHBondContact O-CA 3.32Å; I423-Y442 HydrophobicContact CD1-CD2 3.61Å; I423-Y442 HydrophobicContact CD1-CG 4.03Å; Y442-A449 WeakPolarHBondContact O-CA 3.39Å; Y442-L450 PolarHBondContact N-O 3.36Å; Y442-L450 PolarHBondContact O-N 3.38Å; Y442-I488 HydrophobicContact CD1-CG2 4.01Å; Y442-I488 HydrophobicContact CE1-CG2 4.21Å
443	M	85.6	Confident	83.4	Confident	90 Å²	90	64.9 Å²	64.9	44%	0.443	36%	0.358	S	S	.	.			trans	-96.2	99.4	177.6	-64.7	179.9	-76.8	0	0	110	R422	R422-M443 WeakPolarHBondContact CB-O 3.19Å; R422-M443 PolarHBondContact O-N 2.98Å
444	S	75.9	Confident	84.9	Confident	27 Å²	27	56.3 Å²	56.3	19%	0.189	32%	0.318	C	S	.	.			trans	-81.8	141.8	169.5	-179.5	0	0	0	0	110.1	E446 N447	S444-E446 PolarHBondContact O-N 3.23Å; S444-E446 PolarHBondContact OG-N 2.66Å; S444-N447 VanDerWaalsContact O-O 3.06Å; S444-N447 PolarHBondContact OG-N 3.28Å
445	P	68.4	Low	86.6	Confident	96 Å²	96	52.4 Å²	52.4	62%	0.623	30%	0.3	S	S	*	.	S	Bend	trans	-66.4	-22.3	170.8	-20.3	32.8	0	0	0	113.6	R422	R422-P445 VanDerWaalsContact NH1-CD 3.29Å
446	E	73.3	Confident	87.3	Confident	172 Å²	172	53.1 Å²	53.1	80%	0.804	31%	0.305	S	S	*	.	S	Bend	trans	-110.7	-15.5	-169.3	-67.7	162.5	-164.2	0	0	112.7	S444	S444-E446 PolarHBondContact O-N 3.23Å; S444-E446 PolarHBondContact OG-N 2.66Å
447	N	76.1	Confident	87	Confident	101 Å²	101	52.1 Å²	52.1	54%	0.54	30%	0.3	S	S	.	.	S	Bend	trans	-132.7	152.9	-173.8	-66.4	-85.6	0	0	0	110.7	S444	S444-N447 VanDerWaalsContact O-O 3.06Å; S444-N447 PolarHBondContact OG-N 3.28Å
448	P	83.9	Confident	86	Confident	112 Å²	112	55.5 Å²	55.5	73%	0.727	31%	0.312	S	S	*	.			trans	-58.1	155.9	174.2	26	-35.7	0	0	0	112	L450	P448-L450 PolarHBondContact O-N 3.29Å
449	A	87.4	Confident	84.7	Confident	73 Å²	73	59.5 Å²	59.5	60%	0.603	34%	0.335	S	S	*	.			trans	-54.4	125.6	179	0	0	0	0	0	111.6	I441 Y442	I441-A449 HydrophobicContact CG2-CB 3.74Å; Y442-A449 WeakPolarHBondContact O-CA 3.39Å
450	L	89.9	Confident	83	Confident	84 Å²	84	57.8 Å²	57.8	44%	0.44	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.1	-172.5	-179.8	61.5	0	0	0	110.7	I441 Y442 P448 V452 I488	I441-L450 CarbonylContact C-O 3.5Å; I441-L450 WeakPolarHBondContact CA-O 3.27Å; Y442-L450 PolarHBondContact N-O 3.36Å; Y442-L450 PolarHBondContact O-N 3.38Å; P448-L450 PolarHBondContact O-N 3.29Å; L450-V452 HydrophobicContact CD2-CG1 4.4Å; L450-V452 HydrophobicContact CG-CG1 4.15Å; L450-I488 HydrophobicContact CD2-CD1 3.76Å
451	A	94	Very high	81.3	Confident	53 Å²	53	63.7 Å²	63.7	44%	0.438	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	127.1	173.1	0	0	0	0	0	110.7	L502	A451-L502 HydrophobicContact CB-CB 4.44Å; A451-L502 HydrophobicContact CB-CD2 4.05Å
452	V	95.4	Very high	79.8	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	156	-172	-61.4	0	0	0	0	112.7	I423 Q439 G440 L450 I454 I488 I499 M500	I423-V452 HydrophobicContact CD1-CG2 4.49Å; Q439-V452 CarbonylContact C-O 3.46Å; G440-V452 PolarHBondContact N-O 3.23Å; G440-V452 PolarHBondContact O-N 2.82Å; L450-V452 HydrophobicContact CD2-CG1 4.4Å; L450-V452 HydrophobicContact CG-CG1 4.15Å; V452-I454 HydrophobicContact CG2-CD1 4.14Å; V452-I454 HydrophobicContact CG2-CG1 3.95Å; V452-I488 HydrophobicContact CB-CD1 4.33Å; V452-I488 HydrophobicContact CG1-CD1 3.46Å; V452-I488 VanDerWaalsContact CG1-CD1 3.46Å; V452-I499 HydrophobicContact CB-CG2 3.79Å; V452-I499 HydrophobicContact CG1-CG2 3.94Å; V452-I499 HydrophobicContact CG2-CG2 3.97Å; V452-M500 WeakPolarHBondContact CA-O 3.32Å; V452-M500 WeakPolarHBondContact CB-O 3.16Å
453	A	94.9	Very high	78.6	Confident	9 Å²	9	65.4 Å²	65.4	7%	0.074	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	136	166.1	0	0	0	0	0	109.4	V437 H438 M500 L502	V437-A453 HydrophobicContact CG1-CB 4.36Å; H438-A453 CarbonylContact O-C 3.56Å; H438-A453 WeakPolarHBondContact O-CA 3.38Å; A453-M500 HydrophobicContact CB-CB 4.45Å; A453-M500 HydrophobicContact CB-CE 4.43Å; A453-M500 PolarHBondContact N-O 3.38Å; A453-M500 PolarHBondContact O-N 3.39Å; A453-L502 HydrophobicContact CB-CD1 4.05Å
454	I	92.5	Very high	77.5	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	105.9	-169.6	-56.1	162.2	0	0	0	108.1	I423 L425 V437 H438 V452 T456 W497 I498 I499	I423-I454 HydrophobicContact CG2-CD1 3.39Å; I423-I454 HydrophobicContact CG2-CG1 4.25Å; L425-I454 HydrophobicContact CD1-CB 4.18Å; L425-I454 HydrophobicContact CD1-CD1 3.68Å; L425-I454 HydrophobicContact CD1-CG2 3.97Å; V437-I454 CarbonylContact C-O 3.56Å; V437-I454 WeakPolarHBondContact CA-O 3.28Å; H438-I454 HydrophobicContact CB-CB 4.39Å; H438-I454 PolarHBondContact N-O 2.76Å; H438-I454 PolarHBondContact O-N 3.46Å; V452-I454 HydrophobicContact CG2-CD1 4.14Å; V452-I454 HydrophobicContact CG2-CG1 3.95Å; I454-T456 HydrophobicContact CG2-CG2 3.86Å; I454-W497 HydrophobicContact CG2-CB 4Å; I454-W497 HydrophobicContact CG2-CD2 3.94Å; I454-W497 HydrophobicContact CG2-CE3 3.84Å; I454-W497 HydrophobicContact CG2-CG 4.01Å; I454-I498 WeakPolarHBondContact CA-O 3.26Å; I454-I499 HydrophobicContact CB-CD1 4.39Å; I454-I499 HydrophobicContact CG1-CD1 4.02Å; I454-I499 HydrophobicContact CG2-CD1 3.9Å
455	K	90.9	Very high	77.1	Confident	17 Å²	17	63.2 Å²	63.2	7%	0.074	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	120.4	174.5	-159.5	175.7	-159.6	176.7	0	108.3	D436 V437 F469 E472 W497 I498 M500 D565	D436-K455 CarbonylContact O-C 3.56Å; D436-K455 WeakPolarHBondContact O-CA 3.45Å; V437-K455 HydrophobicContact CG2-CG 4.2Å; K455-F469 HydrophobicContact CB-CZ 4.2Å; K455-F469 HydrophobicContact CD-CE2 4.32Å; K455-F469 HydrophobicContact CD-CZ 4.43Å; K455-F469 HydrophobicContact CG-CE2 4.09Å; K455-F469 HydrophobicContact CG-CZ 3.93Å; K455-F469 WeakPolarHBondContact O-CZ 3.43Å; K455-E472 IonicContact NZ-OE1 2.79Å; K455-E472 PolarHBondContact NZ-OE1 2.92Å; K455-E472 IonicContact NZ-OE2 3.51Å; K455-E472 PolarHBondContact NZ-OE2 2.94Å; K455-W497 CarbonylContact O-C 3.56Å; K455-W497 VanDerWaalsContact O-CA 3.28Å; K455-W497 WeakPolarHBondContact O-CA 3.47Å; K455-I498 HydrophobicContact CB-CB 4.24Å; K455-I498 PolarHBondContact N-O 2.91Å; K455-I498 PolarHBondContact O-N 3.32Å; K455-M500 HydrophobicContact CB-CE 4.01Å; K455-D565 IonicContact NZ-OD1 2.7Å
456	T	86.4	Confident	77.2	Confident	15 Å²	15	62 Å²	62	9%	0.092	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.1	-172.9	60	0	0	0	0	111.6	L425 G435 D436 I454 K458 W497	L425-T456 HydrophobicContact CD1-CG2 4.48Å; G435-T456 CarbonylContact C-O 3.5Å; G435-T456 WeakPolarHBondContact CA-O 3.2Å; D436-T456 PolarHBondContact N-O 3.04Å; D436-T456 PolarHBondContact O-N 2.96Å; D436-T456 PolarHBondContact O-OG1 3.42Å; I454-T456 HydrophobicContact CG2-CG2 3.86Å; T456-K458 PolarHBondContact O-N 2.85Å; T456-W497 HydrophobicContact CG2-CD2 4.34Å; T456-W497 HydrophobicContact CG2-CG 4.07Å
457	C	78.9	Confident	77.1	Confident	9 Å²	9	55.3 Å²	55.3	6%	0.061	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	121.8	177.4	-178.9	0	0	0	0	112.4	C460 F469 V496	C457-C460 HydrophobicContact CB-CB 4.19Å; C457-C460 WeakPolarHBondContact CB-SG 3.44Å; C457-C460 VanDerWaalsContact SG-CA 3.52Å; C457-C460 WeakPolarHBondContact SG-CB 3.26Å; C457-C460 PolarHBondContact SG-N 2.8Å; C457-C460 VanDerWaalsContact SG-N 3.37Å; C457-C460 CovalentContact SG-SG 2.04Å; C457-C460 PolarHBondContact SG-SG 2.84Å; C457-F469 HydrophobicContact CB-CD1 4.22Å; C457-F469 HydrophobicContact CB-CD2 4.43Å; C457-F469 HydrophobicContact CB-CE1 4.09Å; C457-F469 HydrophobicContact CB-CE2 4.31Å; C457-F469 HydrophobicContact CB-CG 4.38Å; C457-F469 HydrophobicContact CB-CZ 4.14Å; C457-V496 PolarHBondContact N-O 2.88Å; C457-V496 VanDerWaalsContact N-O 3.1Å
458	K	69.2	Low	76.8	Confident	103 Å²	103	54.6 Å²	54.6	45%	0.448	32%	0.315	S	S	.	.	S	Bend	trans	-73.6	-46	177.9	-85	177.2	-177.7	175.6	0	113.3	F434 D436 T456	F434-K458 PolarHBondContact O-N 3.04Å; D436-K458 VanDerWaalsContact CG-NZ 3.27Å; D436-K458 WeakPolarHBondContact OD1-CE 3.39Å; D436-K458 IonicContact OD1-NZ 3.27Å; D436-K458 PolarHBondContact OD1-NZ 2.89Å; D436-K458 WeakPolarHBondContact OD2-CE 3.49Å; D436-K458 IonicContact OD2-NZ 3.09Å; D436-K458 PolarHBondContact OD2-NZ 3.32Å; T456-K458 PolarHBondContact O-N 2.85Å
459	N	63.2	Low	76.4	Confident	116 Å²	116	49.5 Å²	49.5	62%	0.62	28%	0.281	S	S	*	.			trans	-126.9	68.4	-172.4	-70.8	-3.4	0	0	0	111.3	T461 V465	N459-T461 PolarHBondContact O-N 2.91Å; N459-V465 WeakPolarHBondContact O-CG1 3.25Å
460	C	59.8	Low	76	Confident	24 Å²	24	46.7 Å²	46.7	16%	0.162	26%	0.256	C	S	.	.			trans	-83.1	54.6	175.3	-89.4	0	0	0	0	111.7	C457	C457-C460 HydrophobicContact CB-CB 4.19Å; C457-C460 WeakPolarHBondContact CB-SG 3.44Å; C457-C460 VanDerWaalsContact SG-CA 3.52Å; C457-C460 WeakPolarHBondContact SG-CB 3.26Å; C457-C460 PolarHBondContact SG-N 2.8Å; C457-C460 VanDerWaalsContact SG-N 3.37Å; C457-C460 CovalentContact SG-SG 2.04Å; C457-C460 PolarHBondContact SG-SG 2.84Å
461	T	57.7	Low	75.4	Confident	133 Å²	133	44.1 Å²	44.1	82%	0.816	24%	0.242	S	C	*	.			trans	-91.4	-13.3	-176.7	55.2	0	0	0	0	114.4	N459	N459-T461 PolarHBondContact O-N 2.91Å
462	S	61	Low	74.8	Confident	47 Å²	47	42 Å²	42	33%	0.329	22%	0.223	S	C	.	.	S	Bend	trans	-132.4	151	170.8	71	0	0	0	0	110.7	S464 V465 R466	S462-S464 VanDerWaalsContact C-N 3.28Å; S462-S464 PolarHBondContact O-N 2.79Å; S462-S464 PolarHBondContact OG-OG 3.17Å; S462-V465 PolarHBondContact O-N 3.08Å; S462-V465 WeakPolarHBondContact OG-CG2 3.43Å; S462-V465 PolarHBondContact OG-N 2.97Å; S462-R466 PolarHBondContact O-N 2.76Å
463	D	65.6	Low	74.3	Confident	93 Å²	93	42.2 Å²	42.2	50%	0.497	22%	0.224	S	C	.	.	H	α-helix	trans	-62.2	-37.1	179.5	-67.9	-26	0	0	0	111.4	V465 R466 E467	D463-V465 VanDerWaalsContact C-N 3.3Å; D463-V465 PolarHBondContact O-N 3.01Å; D463-R466 WeakPolarHBondContact O-CB 3.44Å; D463-R466 PolarHBondContact O-N 2.98Å; D463-R466 VanDerWaalsContact O-N 3.08Å; D463-R466 IonicContact OD1-CZ 2.68Å; D463-R466 IonicContact OD1-NH1 3.17Å; D463-R466 PolarHBondContact OD1-NH1 2.9Å; D463-R466 IonicContact OD1-NH2 3.76Å; D463-R466 PolarHBondContact OD1-NH2 2.72Å; D463-R466 IonicContact OD2-NH2 3.43Å; D463-E467 PolarHBondContact O-N 3.03Å
464	S	63.1	Low	73.7	Confident	13 Å²	13	43.2 Å²	43.2	9%	0.091	23%	0.228	C	C	.	.	H	α-helix	trans	-67.6	-20.5	177.5	65.8	0	0	0	0	114.9	D403 S462 K468	D403-S464 VanDerWaalsContact OD2-CB 3.26Å; D403-S464 WeakPolarHBondContact OD2-CB 3.49Å; D403-S464 PolarHBondContact OD2-OG 2.84Å; S462-S464 VanDerWaalsContact C-N 3.28Å; S462-S464 PolarHBondContact O-N 2.79Å; S462-S464 PolarHBondContact OG-OG 3.17Å; S464-K468 WeakPolarHBondContact O-CD 3.22Å; S464-K468 VanDerWaalsContact O-CG 3.27Å; S464-K468 WeakPolarHBondContact O-CG 3.44Å; S464-K468 PolarHBondContact O-N 3.29Å; S464-K468 PolarHBondContact O-NZ 2.83Å
465	V	66.8	Low	73.2	Confident	58 Å²	58	43.4 Å²	43.4	35%	0.352	23%	0.229	S	C	.	.	H	α-helix	trans	-82.2	-39.3	168.9	172.6	0	0	0	0	110.7	N459 S462 D463 K468 F469	N459-V465 WeakPolarHBondContact O-CG1 3.25Å; S462-V465 PolarHBondContact O-N 3.08Å; S462-V465 WeakPolarHBondContact OG-CG2 3.43Å; S462-V465 PolarHBondContact OG-N 2.97Å; D463-V465 VanDerWaalsContact C-N 3.3Å; D463-V465 PolarHBondContact O-N 3.01Å; V465-K468 PolarHBondContact O-N 2.65Å; V465-F469 WeakPolarHBondContact O-CB 3.38Å; V465-F469 PolarHBondContact O-N 3.1Å; V465-F469 VanDerWaalsContact O-N 3.08Å
466	R	71.8	Confident	72.9	Confident	71 Å²	71	42.8 Å²	42.8	27%	0.268	23%	0.227	S	C	.	.	H	α-helix	trans	-61	-44.2	175.6	-174.8	179.6	66.1	-128.3	-8.1	111.4	S462 D463 F469 L470 V496	S462-R466 PolarHBondContact O-N 2.76Å; D463-R466 WeakPolarHBondContact O-CB 3.44Å; D463-R466 PolarHBondContact O-N 2.98Å; D463-R466 VanDerWaalsContact O-N 3.08Å; D463-R466 IonicContact OD1-CZ 2.68Å; D463-R466 IonicContact OD1-NH1 3.17Å; D463-R466 PolarHBondContact OD1-NH1 2.9Å; D463-R466 IonicContact OD1-NH2 3.76Å; D463-R466 PolarHBondContact OD1-NH2 2.72Å; D463-R466 IonicContact OD2-NH2 3.43Å; R466-F469 WeakPolarHBondContact O-CB 3.37Å; R466-F469 PolarHBondContact O-N 2.82Å; R466-L470 HydrophobicContact CG-CD1 4.2Å; R466-L470 WeakPolarHBondContact O-CG 3.32Å; R466-L470 PolarHBondContact O-N 3.23Å; R466-V496 HydrophobicContact CG-CB 4.48Å; R466-V496 HydrophobicContact CG-CG2 3.57Å
467	E	70.6	Confident	72.8	Confident	30 Å²	30	46 Å²	46	14%	0.14	24%	0.237	C	C	.	.	H	α-helix	trans	-65.5	-47.7	178.6	-171.7	-177.6	-130	0	0	111.8	Y408 D463 F469 L470 Q471	Y408-E467 WeakPolarHBondContact CB-OE1 3.36Å; D463-E467 PolarHBondContact O-N 3.03Å; E467-F469 PolarHBondContact O-N 3.46Å; E467-L470 CarbonylContact O-C 3.47Å; E467-L470 PolarHBondContact O-N 2.9Å; E467-L470 VanDerWaalsContact O-N 3.07Å; E467-Q471 PolarHBondContact O-N 3.04Å
468	K	69.1	Low	73.1	Confident	86 Å²	86	50.5 Å²	50.5	37%	0.374	26%	0.257	S	S	.	.	H	α-helix	trans	-57	-32.8	174.5	-76.6	177.5	-175.6	75.5	0	113.3	E405 S464 V465	E405-K468 WeakPolarHBondContact OE2-CE 3.28Å; E405-K468 IonicContact OE2-NZ 2.66Å; E405-K468 PolarHBondContact OE2-NZ 2.94Å; S464-K468 WeakPolarHBondContact O-CD 3.22Å; S464-K468 VanDerWaalsContact O-CG 3.27Å; S464-K468 WeakPolarHBondContact O-CG 3.44Å; S464-K468 PolarHBondContact O-N 3.29Å; S464-K468 PolarHBondContact O-NZ 2.83Å; V465-K468 PolarHBondContact O-N 2.65Å
469	F	75.5	Confident	74.1	Confident	6 Å²	6	46.2 Å²	46.2	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-70.3	-50.1	173.8	-169.1	-101.7	0	0	0	111	F434 K455 C457 V465 R466 E467 Q471 E472 V496 I498	F434-F469 HydrophobicContact CB-CD2 4.08Å; F434-F469 HydrophobicContact CB-CE2 4.35Å; K455-F469 HydrophobicContact CB-CZ 4.2Å; K455-F469 HydrophobicContact CD-CE2 4.32Å; K455-F469 HydrophobicContact CD-CZ 4.43Å; K455-F469 HydrophobicContact CG-CE2 4.09Å; K455-F469 HydrophobicContact CG-CZ 3.93Å; K455-F469 WeakPolarHBondContact O-CZ 3.43Å; C457-F469 HydrophobicContact CB-CD1 4.22Å; C457-F469 HydrophobicContact CB-CD2 4.43Å; C457-F469 HydrophobicContact CB-CE1 4.09Å; C457-F469 HydrophobicContact CB-CE2 4.31Å; C457-F469 HydrophobicContact CB-CG 4.38Å; C457-F469 HydrophobicContact CB-CZ 4.14Å; V465-F469 WeakPolarHBondContact O-CB 3.38Å; V465-F469 PolarHBondContact O-N 3.1Å; V465-F469 VanDerWaalsContact O-N 3.08Å; R466-F469 WeakPolarHBondContact O-CB 3.37Å; R466-F469 PolarHBondContact O-N 2.82Å; E467-F469 PolarHBondContact O-N 3.46Å; F469-Q471 VanDerWaalsContact C-N 3.26Å; F469-Q471 PolarHBondContact O-N 3.05Å; F469-E472 WeakPolarHBondContact O-CB 3.48Å; F469-E472 PolarHBondContact O-N 3.01Å; F469-V496 HydrophobicContact CD1-CB 4.27Å; F469-V496 HydrophobicContact CD1-CG1 3.76Å; F469-V496 HydrophobicContact CE1-CB 4.46Å; F469-V496 HydrophobicContact CE1-CG1 4.04Å; F469-V496 WeakPolarHBondContact CE1-O 3.21Å; F469-I498 HydrophobicContact CD1-CD1 3.91Å; F469-I498 HydrophobicContact CD1-CG1 4.2Å; F469-I498 HydrophobicContact CE1-CD1 3.76Å; F469-I498 HydrophobicContact CE1-CG1 3.77Å; F469-I498 HydrophobicContact CG-CD1 4.48Å; F469-I498 HydrophobicContact CZ-CD1 4.21Å; F469-I498 HydrophobicContact CZ-CG1 4.44Å; F469-I498 WeakPolarHBondContact O-CD1 3.47Å
470	L	79.4	Confident	75.4	Confident	13 Å²	13	46 Å²	46	7%	0.068	24%	0.238	C	C	.	.	H	α-helix	trans	-63.5	-26.9	177.3	-72.7	171.7	0	0	0	113.9	M410 R466 E467 E472 A473 L474 V490 V496	M410-L470 HydrophobicContact CE-CD1 4.44Å; R466-L470 HydrophobicContact CG-CD1 4.2Å; R466-L470 WeakPolarHBondContact O-CG 3.32Å; R466-L470 PolarHBondContact O-N 3.23Å; E467-L470 CarbonylContact O-C 3.47Å; E467-L470 PolarHBondContact O-N 2.9Å; E467-L470 VanDerWaalsContact O-N 3.07Å; L470-E472 PolarHBondContact O-N 3.48Å; L470-A473 WeakPolarHBondContact O-CA 3.41Å; L470-A473 WeakPolarHBondContact O-CB 3.33Å; L470-A473 PolarHBondContact O-N 2.85Å; L470-L474 PolarHBondContact O-N 3.36Å; L470-V490 HydrophobicContact CD2-CB 4.46Å; L470-V490 HydrophobicContact CD2-CG1 4.38Å; L470-V496 HydrophobicContact CD2-CG1 3.56Å; L470-V496 HydrophobicContact CG-CG1 3.95Å
471	Q	77.8	Confident	77.1	Confident	31 Å²	31	46.5 Å²	46.5	15%	0.145	24%	0.238	C	C	.	.	H	α-helix	trans	-57.4	-30.3	177.1	-173.9	58.4	44.7	0	0	112.9	E467 F469 T475	E467-Q471 PolarHBondContact O-N 3.04Å; F469-Q471 VanDerWaalsContact C-N 3.26Å; F469-Q471 PolarHBondContact O-N 3.05Å; Q471-T475 WeakPolarHBondContact O-CB 3.38Å; Q471-T475 PolarHBondContact O-N 3.24Å; Q471-T475 PolarHBondContact O-OG1 3.31Å
472	E	82	Confident	79	Confident	8 Å²	8	44.4 Å²	44.4	4%	0.037	23%	0.226	C	C	.	.	H	α-helix	trans	-64.2	-47.2	173.1	-174.4	173	169.1	0	0	111	K455 F469 L470 T475 M476 I498 F566	K455-E472 IonicContact NZ-OE1 2.79Å; K455-E472 PolarHBondContact NZ-OE1 2.92Å; K455-E472 IonicContact NZ-OE2 3.51Å; K455-E472 PolarHBondContact NZ-OE2 2.94Å; F469-E472 WeakPolarHBondContact O-CB 3.48Å; F469-E472 PolarHBondContact O-N 3.01Å; L470-E472 PolarHBondContact O-N 3.48Å; E472-T475 WeakPolarHBondContact O-CB 3.38Å; E472-T475 PolarHBondContact O-N 3.25Å; E472-M476 HydrophobicContact CG-SD 4.17Å; E472-M476 VanDerWaalsContact O-CG 3.32Å; E472-M476 WeakPolarHBondContact O-CG 3.2Å; E472-M476 PolarHBondContact O-N 3.15Å; E472-I498 HydrophobicContact CB-CD1 4.36Å; E472-F566 HydrophobicContact CG-CB 4.1Å
473	A	84.3	Confident	80.8	Confident	4 Å²	4	43.6 Å²	43.6	3%	0.033	22%	0.217	C	C	.	.	H	α-helix	trans	-65.4	-41	175.9	0	0	0	0	0	112.4	L470 T475 M476 R477 L487 V490 I498	L470-A473 WeakPolarHBondContact O-CA 3.41Å; L470-A473 WeakPolarHBondContact O-CB 3.33Å; L470-A473 PolarHBondContact O-N 2.85Å; A473-T475 PolarHBondContact O-N 3.12Å; A473-M476 PolarHBondContact O-N 2.67Å; A473-R477 WeakPolarHBondContact O-CB 3.43Å; A473-R477 PolarHBondContact O-N 2.9Å; A473-L487 HydrophobicContact CB-CD1 4.03Å; A473-L487 HydrophobicContact CB-CD2 4.29Å; A473-L487 WeakPolarHBondContact O-CD2 3.43Å; A473-V490 HydrophobicContact CB-CG1 3.49Å; A473-V490 VanDerWaalsContact CB-CG1 3.49Å; A473-I498 HydrophobicContact CB-CD1 4.09Å; A473-I498 HydrophobicContact CB-CG1 4.11Å; A473-I498 HydrophobicContact CB-CG2 3.98Å
474	L	81.3	Confident	82.2	Confident	31 Å²	31	39.4 Å²	39.4	16%	0.162	20%	0.195	C	C	.	.	H	α-helix	trans	-60	-33.9	174.1	-68.4	180	0	0	0	112.9	M410 L470 Q478	M410-L474 HydrophobicContact CE-CD2 3.98Å; M410-L474 HydrophobicContact SD-CD1 3.77Å; M410-L474 HydrophobicContact SD-CD2 4.06Å; M410-L474 HydrophobicContact SD-CG 4.29Å; L470-L474 PolarHBondContact O-N 3.36Å; L474-Q478 PolarHBondContact O-NE2 2.92Å; L474-Q478 VanDerWaalsContact O-NE2 3.15Å
475	T	82.6	Confident	83.7	Confident	3 Å²	3	39.1 Å²	39.1	2%	0.018	19%	0.192	C	C	.	.	H	α-helix	trans	-72.4	-49.4	175.2	-56.7	0	0	0	0	110.1	Q471 E472 A473 R477 Q478 F479 F543 F566	Q471-T475 WeakPolarHBondContact O-CB 3.38Å; Q471-T475 PolarHBondContact O-N 3.24Å; Q471-T475 PolarHBondContact O-OG1 3.31Å; E472-T475 WeakPolarHBondContact O-CB 3.38Å; E472-T475 PolarHBondContact O-N 3.25Å; A473-T475 PolarHBondContact O-N 3.12Å; T475-R477 VanDerWaalsContact C-N 3.33Å; T475-R477 PolarHBondContact O-N 3.26Å; T475-Q478 PolarHBondContact O-N 2.97Å; T475-F479 HydrophobicContact CG2-CE2 3.8Å; T475-F479 HydrophobicContact CG2-CZ 3.88Å; T475-F479 WeakPolarHBondContact O-CE2 3.42Å; T475-F543 HydrophobicContact CG2-CD1 4.09Å; T475-F543 HydrophobicContact CG2-CE1 3.68Å; T475-F543 HydrophobicContact CG2-CZ 4.46Å; T475-F566 HydrophobicContact CG2-CB 4.49Å
476	M	84.8	Confident	84.9	Confident	4 Å²	4	41.5 Å²	41.5	2%	0.02	20%	0.198	C	C	.	.	H	α-helix	trans	-62.8	-32.9	179.2	-68.7	176.3	69.7	0	0	113.8	E472 A473 Q478 F479 V485 L487 M500 F566	E472-M476 HydrophobicContact CG-SD 4.17Å; E472-M476 VanDerWaalsContact O-CG 3.32Å; E472-M476 WeakPolarHBondContact O-CG 3.2Å; E472-M476 PolarHBondContact O-N 3.15Å; A473-M476 PolarHBondContact O-N 2.67Å; M476-Q478 PolarHBondContact O-N 2.76Å; M476-F479 PolarHBondContact O-N 3.34Å; M476-V485 HydrophobicContact CE-CB 4.45Å; M476-V485 HydrophobicContact CE-CG1 4.19Å; M476-V485 WeakPolarHBondContact CE-O 3.3Å; M476-L487 HydrophobicContact CB-CB 4.05Å; M476-M500 HydrophobicContact CE-CG 3.94Å; M476-M500 HydrophobicContact CE-SD 3.79Å; M476-M500 HydrophobicContact SD-SD 4.12Å; M476-F566 HydrophobicContact CE-CD2 4.42Å; M476-F566 HydrophobicContact CG-CB 3.93Å; M476-F566 HydrophobicContact CG-CD2 3.6Å; M476-F566 HydrophobicContact CG-CE2 4.39Å; M476-F566 HydrophobicContact CG-CG 3.89Å; M476-F566 HydrophobicContact SD-CD2 4.04Å
477	R	84.4	Confident	85.9	Confident	83 Å²	83	38.8 Å²	38.8	31%	0.313	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-27	176.3	-179.3	-179	175.7	175.6	6.8	113	D415 Y416 A473 T475 F479 L487	D415-R477 IonicContact OD2-NH2 2.63Å; D415-R477 PolarHBondContact OD2-NH2 2.97Å; Y416-R477 HydrophobicContact CD2-CG 4.38Å; Y416-R477 HydrophobicContact CE1-CG 4.45Å; Y416-R477 HydrophobicContact CE2-CG 4.03Å; Y416-R477 VanDerWaalsContact CE2-NE 3.3Å; A473-R477 WeakPolarHBondContact O-CB 3.43Å; A473-R477 PolarHBondContact O-N 2.9Å; T475-R477 VanDerWaalsContact C-N 3.33Å; T475-R477 PolarHBondContact O-N 3.26Å; R477-F479 VanDerWaalsContact C-N 3.33Å; R477-L487 HydrophobicContact CB-CD2 3.99Å
478	Q	84.7	Confident	86.8	Confident	104 Å²	104	39.2 Å²	39.2	49%	0.486	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-5.6	-176	-59.5	175.1	50.7	0	0	113.4	L474 T475 M476	L474-Q478 PolarHBondContact O-NE2 2.92Å; L474-Q478 VanDerWaalsContact O-NE2 3.15Å; T475-Q478 PolarHBondContact O-N 2.97Å; M476-Q478 PolarHBondContact O-N 2.76Å
479	F	89.6	Confident	87.6	Confident	13 Å²	13	35.1 Å²	35.1	6%	0.057	17%	0.174	C	C	.	.			trans	-111	128.2	-174.1	-51.9	-34.2	0	0	0	111.8	T475 M476 R477 I484 Y537 L538 F543 F566	T475-F479 HydrophobicContact CG2-CE2 3.8Å; T475-F479 HydrophobicContact CG2-CZ 3.88Å; T475-F479 WeakPolarHBondContact O-CE2 3.42Å; M476-F479 PolarHBondContact O-N 3.34Å; R477-F479 VanDerWaalsContact C-N 3.33Å; F479-I484 HydrophobicContact CB-CD1 4.4Å; F479-I484 HydrophobicContact CB-CG2 4.2Å; F479-I484 HydrophobicContact CD2-CG2 4.47Å; F479-Y537 HydrophobicContact CB-CE1 4.06Å; F479-Y537 AromaticContact CD1-CE1 3.96Å; F479-Y537 HydrophobicContact CD1-CE1 3.96Å; F479-Y537 HydrophobicContact CG-CE1 4.32Å; F479-L538 HydrophobicContact CD1-CD2 3.95Å; F479-L538 HydrophobicContact CD2-CD2 4.02Å; F479-L538 HydrophobicContact CE1-CD2 3.67Å; F479-L538 HydrophobicContact CE2-CD2 3.74Å; F479-L538 HydrophobicContact CG-CD2 4.14Å; F479-L538 HydrophobicContact CZ-CD2 3.57Å; F479-F543 HydrophobicContact CE1-CD1 4.46Å; F479-F543 AromaticContact CE1-CD2 3.57Å; F479-F543 HydrophobicContact CE1-CD2 3.57Å; F479-F543 AromaticContact CE1-CE2 3.74Å; F479-F543 HydrophobicContact CE1-CE2 3.74Å; F479-F543 AromaticContact CE1-CG 3.95Å; F479-F543 HydrophobicContact CE1-CG 3.95Å; F479-F543 HydrophobicContact CE1-CZ 4.26Å; F479-F543 HydrophobicContact CZ-CB 4.23Å; F479-F543 AromaticContact CZ-CD1 3.82Å; F479-F543 HydrophobicContact CZ-CD1 3.82Å; F479-F543 AromaticContact CZ-CD2 3.76Å; F479-F543 HydrophobicContact CZ-CD2 3.76Å; F479-F543 HydrophobicContact CZ-CE1 4.06Å; F479-F543 AromaticContact CZ-CE2 4Å; F479-F543 HydrophobicContact CZ-CE2 4Å; F479-F543 AromaticContact CZ-CG 3.65Å; F479-F543 HydrophobicContact CZ-CG 3.65Å; F479-F543 HydrophobicContact CZ-CZ 4.14Å; F479-F566 HydrophobicContact CD2-CD1 4.2Å; F479-F566 AromaticContact CD2-CE1 3.83Å; F479-F566 HydrophobicContact CD2-CE1 3.83Å; F479-F566 HydrophobicContact CD2-CZ 4.11Å; F479-F566 AromaticContact CE2-CD1 3.58Å; F479-F566 HydrophobicContact CE2-CD1 3.58Å; F479-F566 AromaticContact CE2-CE1 3.49Å; F479-F566 HydrophobicContact CE2-CE1 3.49Å; F479-F566 VanDerWaalsContact CE2-CE1 3.49Å; F479-F566 HydrophobicContact CE2-CG 4.4Å; F479-F566 HydrophobicContact CE2-CZ 4.23Å
480	D	91.4	Very high	88.3	Confident	111 Å²	111	35.3 Å²	35.3	59%	0.594	18%	0.175	S	C	*	.			trans	-135.5	106.8	168.4	-170	40.5	0	0	0	107.3	K486 Y537	D480-K486 IonicContact OD1-NZ 3.57Å; D480-K486 PolarHBondContact OD1-NZ 3.1Å; D480-Y537 PolarHBondContact N-OH 3.06Å; D480-Y537 WeakPolarHBondContact O-CE2 3.18Å; D480-Y537 PolarHBondContact O-OH 3.06Å
481	H	96.6	Very high	88.6	Confident	35 Å²	35	34.8 Å²	34.8	16%	0.162	17%	0.173	C	C	.	.			trans	-160	136.6	-175	-176.4	-93.4	0	0	0	110.1	H483 I484 T533 A534 Y537	H481-H483 PolarHBondContact ND1-N 3.17Å; H481-H483 PolarHBondContact O-N 2.85Å; H481-I484 HydrophobicContact CB-CB 4.22Å; H481-I484 HydrophobicContact CB-CD1 3.93Å; H481-I484 HydrophobicContact CB-CG1 4.06Å; H481-I484 PolarHBondContact O-N 3.07Å; H481-I484 VanDerWaalsContact O-N 3.08Å; H481-T533 PolarHBondContact CE1-OG1 2.93Å; H481-T533 VanDerWaalsContact CE1-OG1 3.29Å; H481-A534 VanDerWaalsContact CE1-CA 3.48Å; H481-A534 WeakPolarHBondContact CE1-CA 3.44Å; H481-A534 PolarHBondContact CE1-N 2.93Å; H481-Y537 HydrophobicContact CB-CD1 4.08Å; H481-Y537 HydrophobicContact CB-CD2 4.26Å; H481-Y537 HydrophobicContact CB-CE1 4.23Å; H481-Y537 HydrophobicContact CB-CE2 4.38Å; H481-Y537 HydrophobicContact CB-CG 4.09Å; H481-Y537 AromaticContact CD2-CD2 3.87Å; H481-Y537 AromaticContact CD2-CG 3.87Å
482	P	96.5	Very high	88.7	Confident	89 Å²	89	35.2 Å²	35.2	58%	0.578	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-30.6	-173.1	-28.6	35.9	0	0	0	115.7	K562	P482-K562 WeakPolarHBondContact O-CE 3.35Å; P482-K562 PolarHBondContact O-NZ 3.25Å
483	H	98.1	Very high	88.3	Confident	30 Å²	30	40.4 Å²	40.4	14%	0.139	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	23.4	-177.8	-57.9	-64.5	0	0	0	113.9	H481 Q530 T533 A534 V561 K562 L563	H481-H483 PolarHBondContact ND1-N 3.17Å; H481-H483 PolarHBondContact O-N 2.85Å; H483-Q530 HydrophobicContact CB-CB 4.45Å; H483-Q530 VanDerWaalsContact CE1-CG 3.41Å; H483-Q530 WeakPolarHBondContact CE1-CG 3.3Å; H483-Q530 PolarHBondContact CE1-NE2 3.19Å; H483-T533 PolarHBondContact CD2-OG1 3.34Å; H483-A534 HydrophobicContact CB-CB 4.12Å; H483-A534 WeakPolarHBondContact O-CB 3.28Å; H483-V561 PolarHBondContact ND1-O 2.81Å; H483-K562 WeakPolarHBondContact O-CA 3.42Å; H483-L563 PolarHBondContact O-N 2.86Å
484	I	96.6	Very high	87.8	Confident	5 Å²	5	44.1 Å²	44.1	3%	0.026	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-117.7	139.3	167.9	-67.1	179.5	0	0	0	107.8	F479 H481 K486 A534 Y537 L538 F566	F479-I484 HydrophobicContact CB-CD1 4.4Å; F479-I484 HydrophobicContact CB-CG2 4.2Å; F479-I484 HydrophobicContact CD2-CG2 4.47Å; H481-I484 HydrophobicContact CB-CB 4.22Å; H481-I484 HydrophobicContact CB-CD1 3.93Å; H481-I484 HydrophobicContact CB-CG1 4.06Å; H481-I484 PolarHBondContact O-N 3.07Å; H481-I484 VanDerWaalsContact O-N 3.08Å; I484-K486 PolarHBondContact O-N 3.49Å; I484-A534 HydrophobicContact CD1-CB 4.35Å; I484-A534 HydrophobicContact CG1-CB 3.77Å; I484-Y537 HydrophobicContact CD1-CD1 3.7Å; I484-Y537 HydrophobicContact CD1-CE1 4.17Å; I484-L538 HydrophobicContact CD1-CD2 3.92Å; I484-L538 HydrophobicContact CD1-CG 4.03Å; I484-F566 HydrophobicContact CG2-CE2 3.84Å; I484-F566 HydrophobicContact CG2-CZ 3.65Å
485	V	94.6	Very high	87.6	Confident	6 Å²	6	45.8 Å²	45.8	4%	0.036	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-63.9	118.3	176.3	175.4	0	0	0	0	109.7	M476 M500 E501 L554 K562 L563	M476-V485 HydrophobicContact CE-CB 4.45Å; M476-V485 HydrophobicContact CE-CG1 4.19Å; M476-V485 WeakPolarHBondContact CE-O 3.3Å; V485-M500 HydrophobicContact CG1-CB 4.06Å; V485-E501 WeakPolarHBondContact CA-OE1 3.26Å; V485-E501 HydrophobicContact CG1-CG 4.02Å; V485-L554 HydrophobicContact CG2-CD1 4.07Å; V485-K562 HydrophobicContact CG2-CB 3.84Å; V485-L563 WeakPolarHBondContact CG2-O 3.46Å; V485-L563 PolarHBondContact N-O 3.18Å
486	K	91.8	Very high	87.7	Confident	109 Å²	109	45.7 Å²	45.7	47%	0.474	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-74.9	131.8	-178	-173.7	159.4	-173.7	153	0	112.4	D480 I484 M500 E501	D480-K486 IonicContact OD1-NZ 3.57Å; D480-K486 PolarHBondContact OD1-NZ 3.1Å; I484-K486 PolarHBondContact O-N 3.49Å; K486-M500 WeakPolarHBondContact O-CA 3.36Å; K486-E501 HydrophobicContact CB-CG 4.2Å; K486-E501 PolarHBondContact N-OE1 3.12Å; K486-E501 PolarHBondContact O-N 2.97Å
487	L	92.3	Very high	87.9	Confident	14 Å²	14	46.7 Å²	46.7	7%	0.073	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	131.5	164	-177.6	73	0	0	0	109.5	Y416 A473 M476 R477 I498	Y416-L487 HydrophobicContact CD1-CD2 4.33Å; A473-L487 HydrophobicContact CB-CD1 4.03Å; A473-L487 HydrophobicContact CB-CD2 4.29Å; A473-L487 WeakPolarHBondContact O-CD2 3.43Å; M476-L487 HydrophobicContact CB-CB 4.05Å; R477-L487 HydrophobicContact CB-CD2 3.99Å; L487-I498 HydrophobicContact CD1-CG2 3.58Å
488	I	89.3	Confident	88.2	Confident	39 Å²	39	42.8 Å²	42.8	20%	0.2	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	-39.6	174.3	-62.9	173.9	0	0	0	110	I418 Y442 L450 V452 I499 M500 E501	I418-I488 HydrophobicContact CD1-CG2 4.24Å; Y442-I488 HydrophobicContact CD1-CG2 4.01Å; Y442-I488 HydrophobicContact CE1-CG2 4.21Å; L450-I488 HydrophobicContact CD2-CD1 3.76Å; V452-I488 HydrophobicContact CB-CD1 4.33Å; V452-I488 HydrophobicContact CG1-CD1 3.46Å; V452-I488 VanDerWaalsContact CG1-CD1 3.46Å; I488-I499 HydrophobicContact CB-CB 4.41Å; I488-I499 HydrophobicContact CB-CG2 4.13Å; I488-I499 HydrophobicContact CG2-CG2 4.28Å; I488-I499 PolarHBondContact N-O 2.9Å; I488-M500 WeakPolarHBondContact CD1-O 3.25Å; I488-E501 HydrophobicContact CD1-CB 4.43Å
489	G	87.2	Confident	88.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.9	-170.4	174.7	0	0	0	0	0	113.3	Y416 I499	Y416-G489 CarbonylContact O-C 3.6Å; Y416-G489 WeakPolarHBondContact O-CA 3.46Å; G489-I499 PolarHBondContact N-O 3.05Å; G489-I499 WeakPolarHBondContact O-CB 3.32Å; G489-I499 PolarHBondContact O-N 3.08Å
490	V	89.4	Confident	88.7	Confident	10 Å²	10	38.1 Å²	38.1	6%	0.061	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	147	-178.2	-67.3	0	0	0	0	111.3	Y416 E417 I418 L470 A473 T492 W497 I498	Y416-V490 PolarHBondContact O-N 3.31Å; E417-V490 WeakPolarHBondContact CA-O 3.35Å; I418-V490 PolarHBondContact N-O 3.49Å; L470-V490 HydrophobicContact CD2-CB 4.46Å; L470-V490 HydrophobicContact CD2-CG1 4.38Å; A473-V490 HydrophobicContact CB-CG1 3.49Å; A473-V490 VanDerWaalsContact CB-CG1 3.49Å; V490-T492 HydrophobicContact CG2-CG2 4.24Å; V490-W497 WeakPolarHBondContact CA-O 3.36Å; V490-I498 HydrophobicContact CG1-CG1 4.46Å
491	I	84.9	Confident	88.8	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	110.7	164.4	-66	159.7	0	0	0	106.3	I418 R420 I423 E493 V496 W497 I499	I418-I491 HydrophobicContact CB-CG1 4.19Å; I418-I491 HydrophobicContact CG2-CD1 4.49Å; I418-I491 HydrophobicContact CG2-CG1 4.29Å; I418-I491 WeakPolarHBondContact O-CG1 3.46Å; R420-I491 HydrophobicContact CB-CD1 4.19Å; R420-I491 HydrophobicContact CB-CG2 4.41Å; R420-I491 HydrophobicContact CG-CD1 4.44Å; I423-I491 HydrophobicContact CG1-CD1 4.04Å; I491-E493 HydrophobicContact CG2-CB 4.19Å; I491-V496 WeakPolarHBondContact O-CA 3.22Å; I491-V496 WeakPolarHBondContact O-CG1 3.33Å; I491-W497 HydrophobicContact CB-CB 4.19Å; I491-W497 HydrophobicContact CD1-CB 4.2Å; I491-W497 HydrophobicContact CD1-CD2 4.08Å; I491-W497 HydrophobicContact CD1-CE3 3.45Å; I491-W497 VanDerWaalsContact CD1-CE3 3.45Å; I491-W497 HydrophobicContact CD1-CG 4.44Å; I491-W497 HydrophobicContact CD1-CZ3 4.11Å; I491-W497 PolarHBondContact N-O 2.93Å; I491-W497 PolarHBondContact O-N 3.38Å; I491-W497 VanDerWaalsContact O-N 3.09Å; I491-I499 HydrophobicContact CD1-CD1 4.27Å
492	T	80.9	Confident	88.7	Confident	40 Å²	40	34.9 Å²	34.9	25%	0.245	18%	0.183	C	C	.	.			trans	-80.3	-20.7	-175.2	60.3	0	0	0	0	113	T413 E417 V490 V496	T413-T492 HydrophobicContact CG2-CG2 3.92Å; E417-T492 WeakPolarHBondContact OE1-CB 3.38Å; E417-T492 VanDerWaalsContact OE1-CG2 3.27Å; E417-T492 WeakPolarHBondContact OE1-CG2 3.42Å; E417-T492 PolarHBondContact OE1-OG1 3.24Å; V490-T492 HydrophobicContact CG2-CG2 4.24Å; T492-V496 VanDerWaalsContact O-CG2 3.31Å; T492-V496 WeakPolarHBondContact O-CG2 3.4Å
493	E	73.9	Confident	88.7	Confident	117 Å²	117	31 Å²	31	55%	0.547	16%	0.158	S	C	.	.	S	Bend	trans	-67.4	140	176	-62.8	-177.4	178.4	0	0	111.7	R420 I491 P495 V496	R420-E493 IonicContact NH1-OE2 3.76Å; R420-E493 PolarHBondContact NH1-OE2 3.39Å; R420-E493 PolarHBondContact NH2-O 3.08Å; I491-E493 HydrophobicContact CG2-CB 4.19Å; E493-P495 CarbonylContact O-C 3.34Å; E493-P495 VanDerWaalsContact O-O 3.11Å; E493-V496 PolarHBondContact O-N 3Å
494	N	72.3	Confident	88.5	Confident	82 Å²	82	34.5 Å²	34.5	44%	0.439	18%	0.181	S	C	.	.	S	Bend	trans	-64.6	140.9	174.8	-82.3	-27.2	0	0	0	111.9	R420	R420-N494 PolarHBondContact NH1-O 2.95Å; R420-N494 PolarHBondContact NH2-O 3.44Å
495	P	78	Confident	88.3	Confident	66 Å²	66	37 Å²	37	43%	0.429	19%	0.194	S	C	.	.	S	Bend	cis	-69.9	130.6	-14.3	30.2	-33.9	0	0	0	111.6	R420 E493 W497	R420-P495 PolarHBondContact NH2-O 3.06Å; E493-P495 CarbonylContact O-C 3.34Å; E493-P495 VanDerWaalsContact O-O 3.11Å; P495-W497 PolarHBondContact O-NE1 3.43Å
496	V	84.1	Confident	88.2	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-65.5	133.1	-174.8	174.2	0	0	0	0	112.2	C457 R466 F469 L470 I491 T492 E493	C457-V496 PolarHBondContact N-O 2.88Å; C457-V496 VanDerWaalsContact N-O 3.1Å; R466-V496 HydrophobicContact CG-CB 4.48Å; R466-V496 HydrophobicContact CG-CG2 3.57Å; F469-V496 HydrophobicContact CD1-CB 4.27Å; F469-V496 HydrophobicContact CD1-CG1 3.76Å; F469-V496 HydrophobicContact CE1-CB 4.46Å; F469-V496 HydrophobicContact CE1-CG1 4.04Å; F469-V496 WeakPolarHBondContact CE1-O 3.21Å; L470-V496 HydrophobicContact CD2-CG1 3.56Å; L470-V496 HydrophobicContact CG-CG1 3.95Å; I491-V496 WeakPolarHBondContact O-CA 3.22Å; I491-V496 WeakPolarHBondContact O-CG1 3.33Å; T492-V496 VanDerWaalsContact O-CG2 3.31Å; T492-V496 WeakPolarHBondContact O-CG2 3.4Å; E493-V496 PolarHBondContact O-N 3Å
497	W	88.8	Confident	88.3	Confident	26 Å²	26	35.8 Å²	35.8	10%	0.098	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	141.3	177.9	-57.4	-7.3	0	0	0	111.8	R420 I423 L425 I454 K455 T456 V490 I491 P495 I499	R420-W497 HydrophobicContact CG-CH2 4.13Å; R420-W497 HydrophobicContact CG-CZ3 4.14Å; I423-W497 HydrophobicContact CB-CZ3 4.09Å; I423-W497 HydrophobicContact CG2-CE3 4.08Å; I423-W497 HydrophobicContact CG2-CZ3 3.73Å; L425-W497 HydrophobicContact CB-CH2 4.32Å; L425-W497 HydrophobicContact CD2-CH2 4.16Å; L425-W497 HydrophobicContact CD2-CZ2 4.15Å; I454-W497 HydrophobicContact CG2-CB 4Å; I454-W497 HydrophobicContact CG2-CD2 3.94Å; I454-W497 HydrophobicContact CG2-CE3 3.84Å; I454-W497 HydrophobicContact CG2-CG 4.01Å; K455-W497 CarbonylContact O-C 3.56Å; K455-W497 VanDerWaalsContact O-CA 3.28Å; K455-W497 WeakPolarHBondContact O-CA 3.47Å; T456-W497 HydrophobicContact CG2-CD2 4.34Å; T456-W497 HydrophobicContact CG2-CG 4.07Å; V490-W497 WeakPolarHBondContact CA-O 3.36Å; I491-W497 HydrophobicContact CB-CB 4.19Å; I491-W497 HydrophobicContact CD1-CB 4.2Å; I491-W497 HydrophobicContact CD1-CD2 4.08Å; I491-W497 HydrophobicContact CD1-CE3 3.45Å; I491-W497 VanDerWaalsContact CD1-CE3 3.45Å; I491-W497 HydrophobicContact CD1-CG 4.44Å; I491-W497 HydrophobicContact CD1-CZ3 4.11Å; I491-W497 PolarHBondContact N-O 2.93Å; I491-W497 PolarHBondContact O-N 3.38Å; I491-W497 VanDerWaalsContact O-N 3.09Å; P495-W497 PolarHBondContact O-NE1 3.43Å; W497-I499 HydrophobicContact CB-CD1 4.12Å
498	I	90.7	Very high	88.5	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.9	170.5	-58.2	169.5	0	0	0	108.1	I454 K455 F469 E472 A473 L487 V490 M500	I454-I498 WeakPolarHBondContact CA-O 3.26Å; K455-I498 HydrophobicContact CB-CB 4.24Å; K455-I498 PolarHBondContact N-O 2.91Å; K455-I498 PolarHBondContact O-N 3.32Å; F469-I498 HydrophobicContact CD1-CD1 3.91Å; F469-I498 HydrophobicContact CD1-CG1 4.2Å; F469-I498 HydrophobicContact CE1-CD1 3.76Å; F469-I498 HydrophobicContact CE1-CG1 3.77Å; F469-I498 HydrophobicContact CG-CD1 4.48Å; F469-I498 HydrophobicContact CZ-CD1 4.21Å; F469-I498 HydrophobicContact CZ-CG1 4.44Å; F469-I498 WeakPolarHBondContact O-CD1 3.47Å; E472-I498 HydrophobicContact CB-CD1 4.36Å; A473-I498 HydrophobicContact CB-CD1 4.09Å; A473-I498 HydrophobicContact CB-CG1 4.11Å; A473-I498 HydrophobicContact CB-CG2 3.98Å; L487-I498 HydrophobicContact CD1-CG2 3.58Å; V490-I498 HydrophobicContact CG1-CG1 4.46Å; I498-M500 HydrophobicContact CG2-CG 4.08Å; I498-M500 HydrophobicContact CG2-SD 4.47Å
499	I	91.8	Very high	88.7	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	121.3	-175.7	-42.4	-57.8	0	0	0	109	I418 I423 V452 I454 I488 G489 I491 W497	I418-I499 HydrophobicContact CD1-CB 4.09Å; I418-I499 HydrophobicContact CD1-CG1 3.89Å; I418-I499 HydrophobicContact CD1-CG2 4.4Å; I423-I499 HydrophobicContact CD1-CD1 4.07Å; I423-I499 HydrophobicContact CD1-CG1 4.25Å; I423-I499 HydrophobicContact CD1-CG2 4.13Å; I423-I499 HydrophobicContact CG1-CD1 4.25Å; V452-I499 HydrophobicContact CB-CG2 3.79Å; V452-I499 HydrophobicContact CG1-CG2 3.94Å; V452-I499 HydrophobicContact CG2-CG2 3.97Å; I454-I499 HydrophobicContact CB-CD1 4.39Å; I454-I499 HydrophobicContact CG1-CD1 4.02Å; I454-I499 HydrophobicContact CG2-CD1 3.9Å; I488-I499 HydrophobicContact CB-CB 4.41Å; I488-I499 HydrophobicContact CB-CG2 4.13Å; I488-I499 HydrophobicContact CG2-CG2 4.28Å; I488-I499 PolarHBondContact N-O 2.9Å; G489-I499 PolarHBondContact N-O 3.05Å; G489-I499 WeakPolarHBondContact O-CB 3.32Å; G489-I499 PolarHBondContact O-N 3.08Å; I491-I499 HydrophobicContact CD1-CD1 4.27Å; W497-I499 HydrophobicContact CB-CD1 4.12Å
500	M	93.6	Very high	89	Confident	20 Å²	20	38 Å²	38	10%	0.099	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	163	-175.1	-57.7	172.8	-69.5	0	0	110.2	V452 A453 K455 M476 V485 K486 I488 I498	V452-M500 WeakPolarHBondContact CA-O 3.32Å; V452-M500 WeakPolarHBondContact CB-O 3.16Å; A453-M500 HydrophobicContact CB-CB 4.45Å; A453-M500 HydrophobicContact CB-CE 4.43Å; A453-M500 PolarHBondContact N-O 3.38Å; A453-M500 PolarHBondContact O-N 3.39Å; K455-M500 HydrophobicContact CB-CE 4.01Å; M476-M500 HydrophobicContact CE-CG 3.94Å; M476-M500 HydrophobicContact CE-SD 3.79Å; M476-M500 HydrophobicContact SD-SD 4.12Å; V485-M500 HydrophobicContact CG1-CB 4.06Å; K486-M500 WeakPolarHBondContact O-CA 3.36Å; I488-M500 WeakPolarHBondContact CD1-O 3.25Å; I498-M500 HydrophobicContact CG2-CG 4.08Å; I498-M500 HydrophobicContact CG2-SD 4.47Å
501	E	93.9	Very high	89.3	Confident	39 Å²	39	38.2 Å²	38.2	18%	0.182	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	144.5	171	67.9	178.6	147.3	0	0	112.4	V485 K486 I488 C503 K562	V485-E501 WeakPolarHBondContact CA-OE1 3.26Å; V485-E501 HydrophobicContact CG1-CG 4.02Å; K486-E501 HydrophobicContact CB-CG 4.2Å; K486-E501 PolarHBondContact N-OE1 3.12Å; K486-E501 PolarHBondContact O-N 2.97Å; I488-E501 HydrophobicContact CD1-CB 4.43Å; E501-C503 PolarHBondContact O-N 3.17Å; E501-K562 WeakPolarHBondContact OE1-CD 3.37Å; E501-K562 IonicContact OE1-NZ 2.79Å; E501-K562 PolarHBondContact OE1-NZ 2.85Å; E501-K562 IonicContact OE2-NZ 3.49Å; E501-K562 PolarHBondContact OE2-NZ 2.93Å
502	L	95.2	Very high	89.9	Confident	38 Å²	38	38.1 Å²	38.1	20%	0.199	21%	0.211	C	C	.	.			trans	-89.1	105.9	179.3	-174.8	63.7	0	0	0	111.8	I429 Q439 A451 A453 T504	I429-L502 HydrophobicContact CD1-CD1 3.74Å; Q439-L502 HydrophobicContact CB-CD1 4.34Å; Q439-L502 HydrophobicContact CB-CD2 4.23Å; A451-L502 HydrophobicContact CB-CB 4.44Å; A451-L502 HydrophobicContact CB-CD2 4.05Å; A453-L502 HydrophobicContact CB-CD1 4.05Å; L502-T504 PolarHBondContact O-N 2.96Å
503	C	95.4	Very high	90.5	Very high	9 Å²	9	40.5 Å²	40.5	6%	0.061	22%	0.219	C	C	.	.			trans	-73.3	95.7	167.7	-71.4	0	0	0	0	110.6	E501 L505 G506 L554 V555	E501-C503 PolarHBondContact O-N 3.17Å; C503-L505 PolarHBondContact O-N 3.24Å; C503-L505 VanDerWaalsContact O-N 3.1Å; C503-G506 PolarHBondContact O-N 2.94Å; C503-G506 VanDerWaalsContact O-N 3.09Å; C503-L554 HydrophobicContact CB-CB 3.47Å; C503-L554 VanDerWaalsContact CB-CB 3.47Å; C503-L554 HydrophobicContact CB-CD1 4.07Å; C503-L554 HydrophobicContact CB-CG 4.39Å; C503-V555 CarbonylContact C-O 3.55Å; C503-V555 WeakPolarHBondContact CB-O 3.45Å
504	T	93.4	Very high	91.5	Very high	102 Å²	102	41 Å²	41	63%	0.626	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.8	-165.2	64.8	0	0	0	0	116.2	L502 S556	L502-T504 PolarHBondContact O-N 2.96Å; T504-S556 PolarHBondContact OG1-O 2.91Å
505	L	93.8	Very high	92.5	Very high	57 Å²	57	40.8 Å²	40.8	30%	0.298	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	4.3	-178.6	-60.9	174.6	0	0	0	113.1	C503 F511 V555 N558	C503-L505 PolarHBondContact O-N 3.24Å; C503-L505 VanDerWaalsContact O-N 3.1Å; L505-F511 HydrophobicContact CB-CD2 4.19Å; L505-F511 HydrophobicContact CB-CE2 4.28Å; L505-F511 HydrophobicContact CD1-CE2 4Å; L505-V555 HydrophobicContact CB-CB 3.77Å; L505-V555 HydrophobicContact CB-CG1 3.78Å; L505-V555 WeakPolarHBondContact CB-O 3.49Å; L505-V555 HydrophobicContact CD1-CG1 3.93Å; L505-V555 HydrophobicContact CG-CG1 4.48Å; L505-V555 PolarHBondContact N-O 2.85Å; L505-N558 WeakPolarHBondContact CD1-OD1 3.49Å
506	G	92.3	Very high	93.2	Very high	30 Å²	30	42.4 Å²	42.4	31%	0.309	22%	0.223	S	C	.	.			trans	76.6	-154.8	167.4	0	0	0	0	0	115.5	C503 L554 V555	C503-G506 PolarHBondContact O-N 2.94Å; C503-G506 VanDerWaalsContact O-N 3.09Å; G506-L554 CarbonylContact O-C 3.49Å; G506-L554 WeakPolarHBondContact O-CA 3.33Å; G506-V555 PolarHBondContact O-N 3.14Å
507	E	93.1	Very high	93.5	Very high	60 Å²	60	52.6 Å²	52.6	28%	0.28	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-64.9	126.5	-179.6	-175.6	-158.9	-176.4	0	0	111.7	R509 S510 F511 R551	E507-R509 VanDerWaalsContact C-N 3.29Å; E507-R509 HydrophobicContact CG-CB 4.2Å; E507-R509 PolarHBondContact O-N 2.87Å; E507-R509 WeakPolarHBondContact OE1-CB 3.42Å; E507-S510 PolarHBondContact O-N 2.85Å; E507-S510 VanDerWaalsContact O-N 3.16Å; E507-S510 PolarHBondContact OE2-OG 2.71Å; E507-F511 PolarHBondContact O-N 2.78Å; E507-R551 VanDerWaalsContact OE1-CA 3.25Å; E507-R551 WeakPolarHBondContact OE1-CA 3.44Å; E507-R551 WeakPolarHBondContact OE1-CB 3.31Å
508	L	96.6	Very high	93.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-56.6	-40.8	-179.7	175.4	61.7	0	0	0	112.4	S510 F511 L512 Y527 V553 V555 V561 I616	L508-S510 VanDerWaalsContact C-N 3.34Å; L508-S510 PolarHBondContact O-N 2.7Å; L508-F511 HydrophobicContact CD1-CD1 4.25Å; L508-F511 PolarHBondContact O-N 2.88Å; L508-L512 HydrophobicContact CD1-CD1 4.02Å; L508-L512 HydrophobicContact CD1-CD2 4.21Å; L508-L512 HydrophobicContact CD1-CG 3.78Å; L508-L512 HydrophobicContact CG-CD1 3.84Å; L508-L512 HydrophobicContact CG-CG 4.13Å; L508-L512 WeakPolarHBondContact O-CB 3.35Å; L508-L512 WeakPolarHBondContact O-CG 3.43Å; L508-L512 PolarHBondContact O-N 3.1Å; L508-Y527 HydrophobicContact CD1-CD2 4.01Å; L508-Y527 HydrophobicContact CD1-CE2 4.18Å; L508-V553 HydrophobicContact CB-CB 4.02Å; L508-V553 HydrophobicContact CB-CG1 3.97Å; L508-V553 WeakPolarHBondContact CB-O 3.14Å; L508-V553 HydrophobicContact CD2-CB 3.94Å; L508-V553 HydrophobicContact CD2-CG1 3.54Å; L508-V553 HydrophobicContact CG-CG1 4.38Å; L508-V553 PolarHBondContact N-O 3.16Å; L508-V555 HydrophobicContact CB-CG2 3.85Å; L508-V555 HydrophobicContact CD1-CG2 3.75Å; L508-V555 HydrophobicContact CG-CG2 4.42Å; L508-V561 HydrophobicContact CD1-CG1 4.05Å; L508-V561 HydrophobicContact CD2-CG1 4.28Å; L508-I616 HydrophobicContact CD2-CD1 4.13Å; L508-I616 HydrophobicContact CD2-CG1 4Å
509	R	93.9	Very high	93.7	Very high	47 Å²	47	56.7 Å²	56.7	18%	0.177	29%	0.294	C	S	.	.	H	α-helix	trans	-61.9	-39.9	179.8	-176.8	165.8	174.4	-84.9	-28.6	113.1	E507 Q513 A550 G620	E507-R509 VanDerWaalsContact C-N 3.29Å; E507-R509 HydrophobicContact CG-CB 4.2Å; E507-R509 PolarHBondContact O-N 2.87Å; E507-R509 WeakPolarHBondContact OE1-CB 3.42Å; R509-Q513 VanDerWaalsContact NH2-NE2 3.11Å; R509-Q513 WeakPolarHBondContact O-CG 3.29Å; R509-Q513 PolarHBondContact O-N 2.77Å; R509-A550 HydrophobicContact CB-CB 3.93Å; R509-A550 PolarHBondContact N-O 3.46Å; R509-A550 VanDerWaalsContact N-O 3.12Å; R509-G620 PolarHBondContact NE-O 2.79Å; R509-G620 PolarHBondContact NH2-O 2.89Å
510	S	93	Very high	93.8	Very high	54 Å²	54	59.6 Å²	59.6	38%	0.378	31%	0.309	S	S	.	.	H	α-helix	trans	-73.2	-41.3	176.2	-69.8	0	0	0	0	111.2	E507 L508 L512 Q513 V514	E507-S510 PolarHBondContact O-N 2.85Å; E507-S510 VanDerWaalsContact O-N 3.16Å; E507-S510 PolarHBondContact OE2-OG 2.71Å; L508-S510 VanDerWaalsContact C-N 3.34Å; L508-S510 PolarHBondContact O-N 2.7Å; S510-L512 PolarHBondContact O-N 3.48Å; S510-Q513 PolarHBondContact O-N 3.47Å; S510-V514 WeakPolarHBondContact O-CG2 3.47Å; S510-V514 PolarHBondContact O-N 3.5Å; S510-V514 VanDerWaalsContact O-N 3.15Å
511	F	96.3	Very high	93.9	Very high	14 Å²	14	60.4 Å²	60.4	6%	0.061	31%	0.313	C	S	.	.	H	α-helix	trans	-56.5	-48.3	173.3	176.4	-92.3	0	0	0	112.8	L505 E507 L508 Q513 V514 R515 L519 Y527 V555	L505-F511 HydrophobicContact CB-CD2 4.19Å; L505-F511 HydrophobicContact CB-CE2 4.28Å; L505-F511 HydrophobicContact CD1-CE2 4Å; E507-F511 PolarHBondContact O-N 2.78Å; L508-F511 HydrophobicContact CD1-CD1 4.25Å; L508-F511 PolarHBondContact O-N 2.88Å; F511-Q513 VanDerWaalsContact C-N 3.34Å; F511-Q513 PolarHBondContact O-N 3.2Å; F511-V514 PolarHBondContact O-N 3.33Å; F511-R515 HydrophobicContact CE2-CG 4.43Å; F511-R515 WeakPolarHBondContact O-CB 3.33Å; F511-R515 PolarHBondContact O-N 2.93Å; F511-L519 HydrophobicContact CD1-CD1 4.35Å; F511-L519 HydrophobicContact CE1-CD1 3.99Å; F511-L519 HydrophobicContact CE1-CD2 4.01Å; F511-L519 HydrophobicContact CZ-CD2 4.41Å; F511-Y527 HydrophobicContact CE1-CE2 4.38Å; F511-V555 HydrophobicContact CB-CG2 4.03Å; F511-V555 HydrophobicContact CD1-CG2 4.11Å; F511-V555 HydrophobicContact CD2-CG1 4.3Å; F511-V555 HydrophobicContact CD2-CG2 4.46Å; F511-V555 HydrophobicContact CE1-CG1 4.37Å; F511-V555 HydrophobicContact CE2-CG1 4.16Å; F511-V555 HydrophobicContact CG-CG1 4.47Å; F511-V555 HydrophobicContact CG-CG2 3.97Å; F511-V555 HydrophobicContact CZ-CG1 4.19Å
512	L	96.8	Very high	94	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59.4	-41.1	178.5	-74.3	168.5	0	0	0	112.8	L508 S510 K516 L519 L524 Y527 I616	L508-L512 HydrophobicContact CD1-CD1 4.02Å; L508-L512 HydrophobicContact CD1-CD2 4.21Å; L508-L512 HydrophobicContact CD1-CG 3.78Å; L508-L512 HydrophobicContact CG-CD1 3.84Å; L508-L512 HydrophobicContact CG-CG 4.13Å; L508-L512 WeakPolarHBondContact O-CB 3.35Å; L508-L512 WeakPolarHBondContact O-CG 3.43Å; L508-L512 PolarHBondContact O-N 3.1Å; S510-L512 PolarHBondContact O-N 3.48Å; L512-K516 WeakPolarHBondContact O-CA 3.22Å; L512-K516 PolarHBondContact O-N 3.28Å; L512-L519 HydrophobicContact CD2-CD1 3.76Å; L512-L524 HydrophobicContact CD2-CD2 3.54Å; L512-Y527 HydrophobicContact CD2-CE2 4.43Å; L512-I616 HydrophobicContact CD1-CG1 4.34Å
513	Q	94.4	Very high	94.1	Very high	89 Å²	89	58.8 Å²	58.8	42%	0.416	31%	0.31	S	S	.	.	H	α-helix	trans	-67.8	-45.1	-179.9	-72.9	170.2	17.5	0	0	111.5	R509 S510 F511 H619 G620	R509-Q513 VanDerWaalsContact NH2-NE2 3.11Å; R509-Q513 WeakPolarHBondContact O-CG 3.29Å; R509-Q513 PolarHBondContact O-N 2.77Å; S510-Q513 PolarHBondContact O-N 3.47Å; F511-Q513 VanDerWaalsContact C-N 3.34Å; F511-Q513 PolarHBondContact O-N 3.2Å; Q513-H619 VanDerWaalsContact CG-O 3.29Å; Q513-H619 WeakPolarHBondContact CG-O 3.48Å; Q513-G620 PolarHBondContact NE2-O 3.11Å
514	V	94.9	Very high	94.2	Very high	127 Å²	127	58.6 Å²	58.6	77%	0.77	31%	0.309	S	S	*	.	H	α-helix	trans	-66.7	-39.1	178.1	174.1	0	0	0	0	111.4	S510 F511	S510-V514 WeakPolarHBondContact O-CG2 3.47Å; S510-V514 PolarHBondContact O-N 3.5Å; S510-V514 VanDerWaalsContact O-N 3.15Å; F511-V514 PolarHBondContact O-N 3.33Å
515	R	93.4	Very high	94.5	Very high	78 Å²	78	53.7 Å²	53.7	29%	0.294	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	15.3	-174.8	-66.9	-154.1	-177.4	176.6	7.4	115.2	F511 Y517 S518 L519 N558	F511-R515 HydrophobicContact CE2-CG 4.43Å; F511-R515 WeakPolarHBondContact O-CB 3.33Å; F511-R515 PolarHBondContact O-N 2.93Å; R515-Y517 PolarHBondContact O-N 3.47Å; R515-S518 WeakPolarHBondContact CA-OG 3.44Å; R515-S518 VanDerWaalsContact CB-OG 3.3Å; R515-S518 WeakPolarHBondContact CB-OG 3.26Å; R515-S518 PolarHBondContact O-N 3.42Å; R515-S518 PolarHBondContact O-OG 3.44Å; R515-L519 HydrophobicContact CB-CD1 3.95Å; R515-L519 HydrophobicContact CB-CG 3.97Å; R515-L519 PolarHBondContact O-N 3.39Å; R515-N558 PolarHBondContact NH1-OD1 3.12Å
516	K	91.1	Very high	94.7	Very high	100 Å²	100	52.5 Å²	52.5	44%	0.435	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.4	-33.6	-177.4	162.2	158.2	-172.1	-178.3	0	115.8	L512 H619	L512-K516 WeakPolarHBondContact O-CA 3.22Å; L512-K516 PolarHBondContact O-N 3.28Å; K516-H619 HydrophobicContact CB-CB 4.5Å; K516-H619 WeakPolarHBondContact CG-ND1 3.44Å; K516-H619 PolarHBondContact O-CE1 2.82Å; K516-H619 PolarHBondContact O-ND1 2.97Å
517	Y	90.6	Very high	95	Very high	215 Å²	215	51.1 Å²	51.1	84%	0.843	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-3.2	-178.1	-60.4	-76.9	0	0	0	114.2	R515	R515-Y517 PolarHBondContact O-N 3.47Å
518	S	90.9	Very high	95.3	Very high	86 Å²	86	48.2 Å²	48.2	60%	0.601	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.6	-4.7	-178.5	55.5	0	0	0	0	114	R515	R515-S518 WeakPolarHBondContact CA-OG 3.44Å; R515-S518 VanDerWaalsContact CB-OG 3.3Å; R515-S518 WeakPolarHBondContact CB-OG 3.26Å; R515-S518 PolarHBondContact O-N 3.42Å; R515-S518 PolarHBondContact O-OG 3.44Å
519	L	92.8	Very high	95.4	Very high	26 Å²	26	51 Å²	51	14%	0.136	26%	0.255	C	S	.	.			trans	-99.3	131.8	176.6	-67	171.8	0	0	0	109.8	F511 L512 R515 L524	F511-L519 HydrophobicContact CD1-CD1 4.35Å; F511-L519 HydrophobicContact CE1-CD1 3.99Å; F511-L519 HydrophobicContact CE1-CD2 4.01Å; F511-L519 HydrophobicContact CZ-CD2 4.41Å; L512-L519 HydrophobicContact CD2-CD1 3.76Å; R515-L519 HydrophobicContact CB-CD1 3.95Å; R515-L519 HydrophobicContact CB-CG 3.97Å; R515-L519 PolarHBondContact O-N 3.39Å; L519-L524 HydrophobicContact CB-CD2 4.48Å; L519-L524 HydrophobicContact CD1-CD2 4.37Å
520	D	93.9	Very high	95.6	Very high	61 Å²	61	49.4 Å²	49.4	33%	0.326	25%	0.25	S	S	.	.			trans	-93.4	165.7	173	72.5	-13	0	0	0	111.6	A522 S523 L524	D520-A522 VanDerWaalsContact C-N 3.26Å; D520-A522 PolarHBondContact O-N 3.15Å; D520-S523 PolarHBondContact O-N 3.12Å; D520-S523 WeakPolarHBondContact OD1-CB 2.96Å; D520-S523 PolarHBondContact OD1-N 2.81Å; D520-S523 PolarHBondContact OD1-OG 3Å; D520-L524 WeakPolarHBondContact O-CG 3.36Å; D520-L524 PolarHBondContact O-N 2.71Å
521	L	95.6	Very high	95.9	Very high	36 Å²	36	46.9 Å²	46.9	19%	0.188	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-35.5	-178.7	178.8	58.1	0	0	0	112.1	S523 L524 I525 L617 P649 E684	L521-S523 PolarHBondContact O-N 2.75Å; L521-L524 PolarHBondContact O-N 3.24Å; L521-I525 HydrophobicContact CD1-CD1 3.91Å; L521-I525 HydrophobicContact CD1-CG1 4.13Å; L521-I525 HydrophobicContact CG-CD1 3.82Å; L521-I525 HydrophobicContact CG-CG1 4.45Å; L521-I525 WeakPolarHBondContact O-CG1 3.2Å; L521-I525 PolarHBondContact O-N 3.14Å; L521-L617 HydrophobicContact CD1-CD1 3.64Å; L521-P649 HydrophobicContact CD2-CG 3.85Å; L521-E684 HydrophobicContact CD2-CG 4.27Å; L521-E684 HydrophobicContact CG-CG 4.13Å
522	A	96.6	Very high	96	Very high	11 Å²	11	46.2 Å²	46.2	9%	0.091	23%	0.229	C	C	.	.	H	α-helix	trans	-61.3	-41	176.4	0	0	0	0	0	112.3	D520 I525 L526 L681 E684 K685	D520-A522 VanDerWaalsContact C-N 3.26Å; D520-A522 PolarHBondContact O-N 3.15Å; A522-I525 PolarHBondContact O-N 3.21Å; A522-L526 VanDerWaalsContact O-CB 3.31Å; A522-L526 WeakPolarHBondContact O-CB 3.4Å; A522-L526 PolarHBondContact O-N 2.59Å; A522-L681 WeakPolarHBondContact O-CD1 3.42Å; A522-E684 HydrophobicContact CB-CG 4.33Å; A522-K685 HydrophobicContact CB-CG 4.43Å
523	S	97.1	Very high	96.1	Very high	32 Å²	32	46.8 Å²	46.8	22%	0.224	23%	0.233	C	C	.	.	H	α-helix	trans	-63.8	-41.2	174.5	-60.1	0	0	0	0	112.3	D520 L521 L526 Y527	D520-S523 PolarHBondContact O-N 3.12Å; D520-S523 WeakPolarHBondContact OD1-CB 2.96Å; D520-S523 PolarHBondContact OD1-N 2.81Å; D520-S523 PolarHBondContact OD1-OG 3Å; L521-S523 PolarHBondContact O-N 2.75Å; S523-L526 WeakPolarHBondContact O-CB 3.49Å; S523-L526 PolarHBondContact O-N 2.93Å; S523-Y527 WeakPolarHBondContact O-CD1 3.47Å; S523-Y527 WeakPolarHBondContact O-CD2 3.35Å; S523-Y527 VanDerWaalsContact O-CG 3.23Å; S523-Y527 PolarHBondContact O-N 3.17Å
524	L	98.3	Very high	96.2	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.026	21%	0.213	C	C	.	.	H	α-helix	trans	-65.3	-41.6	178.6	-60.5	175.5	0	0	0	112.1	L512 L519 D520 L521 Y527 A528 I616 L617 H619	L512-L524 HydrophobicContact CD2-CD2 3.54Å; L519-L524 HydrophobicContact CB-CD2 4.48Å; L519-L524 HydrophobicContact CD1-CD2 4.37Å; D520-L524 WeakPolarHBondContact O-CG 3.36Å; D520-L524 PolarHBondContact O-N 2.71Å; L521-L524 PolarHBondContact O-N 3.24Å; L524-Y527 HydrophobicContact CD2-CD2 4.5Å; L524-Y527 PolarHBondContact O-N 2.84Å; L524-A528 PolarHBondContact O-N 2.92Å; L524-I616 HydrophobicContact CB-CG2 3.98Å; L524-I616 HydrophobicContact CD2-CG2 3.93Å; L524-I616 WeakPolarHBondContact O-CG2 3.35Å; L524-L617 HydrophobicContact CB-CD2 4.18Å; L524-H619 WeakPolarHBondContact CD1-NE2 3.24Å
525	I	98.3	Very high	96.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-69.3	-37	175.9	-62.4	168.2	0	0	0	110.5	L521 A522 Y527 A528 Y529 P649 L652 I680 L681 E684	L521-I525 HydrophobicContact CD1-CD1 3.91Å; L521-I525 HydrophobicContact CD1-CG1 4.13Å; L521-I525 HydrophobicContact CG-CD1 3.82Å; L521-I525 HydrophobicContact CG-CG1 4.45Å; L521-I525 WeakPolarHBondContact O-CG1 3.2Å; L521-I525 PolarHBondContact O-N 3.14Å; A522-I525 PolarHBondContact O-N 3.21Å; I525-Y527 VanDerWaalsContact C-N 3.34Å; I525-Y527 PolarHBondContact O-N 2.72Å; I525-A528 PolarHBondContact O-N 3.29Å; I525-Y529 WeakPolarHBondContact O-CB 3.09Å; I525-Y529 PolarHBondContact O-N 2.7Å; I525-P649 HydrophobicContact CD1-CG 4.41Å; I525-L652 HydrophobicContact CD1-CD2 4.34Å; I525-L652 HydrophobicContact CG1-CD2 3.92Å; I525-I680 HydrophobicContact CD1-CG2 4.15Å; I525-I680 HydrophobicContact CG2-CG2 4.25Å; I525-L681 HydrophobicContact CB-CD1 4.08Å; I525-L681 HydrophobicContact CG2-CB 3.82Å; I525-L681 HydrophobicContact CG2-CD1 3.95Å; I525-L681 HydrophobicContact CG2-CG 4.45Å; I525-E684 HydrophobicContact CD1-CB 4.04Å; I525-E684 HydrophobicContact CD1-CG 4Å
526	L	98.5	Very high	96.6	Very high	32 Å²	32	33.4 Å²	33.4	17%	0.168	17%	0.167	C	C	.	.	H	α-helix	trans	-58.1	-44.5	173.2	176.2	64.1	0	0	0	111.5	A522 S523 A528 Y529 Q530 D559 L681	A522-L526 VanDerWaalsContact O-CB 3.31Å; A522-L526 WeakPolarHBondContact O-CB 3.4Å; A522-L526 PolarHBondContact O-N 2.59Å; S523-L526 WeakPolarHBondContact O-CB 3.49Å; S523-L526 PolarHBondContact O-N 2.93Å; L526-A528 PolarHBondContact O-N 3.48Å; L526-Y529 PolarHBondContact O-N 2.71Å; L526-Q530 HydrophobicContact CD1-CG 4.14Å; L526-Q530 HydrophobicContact CG-CG 4.45Å; L526-Q530 WeakPolarHBondContact O-CB 3.19Å; L526-Q530 VanDerWaalsContact O-CG 3.28Å; L526-Q530 WeakPolarHBondContact O-CG 3.47Å; L526-Q530 PolarHBondContact O-N 3.43Å; L526-D559 HydrophobicContact CD2-CB 4.34Å; L526-L681 HydrophobicContact CB-CD1 4.21Å; L526-L681 HydrophobicContact CB-CD2 4.33Å; L526-L681 HydrophobicContact CD1-CD2 3.92Å
527	Y	98.7	Very high	96.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.2	-42.7	176.6	-56	-25	0	0	0	112	L508 F511 L512 S523 L524 I525 Q530 L531 N558 V561 I616	L508-Y527 HydrophobicContact CD1-CD2 4.01Å; L508-Y527 HydrophobicContact CD1-CE2 4.18Å; F511-Y527 HydrophobicContact CE1-CE2 4.38Å; L512-Y527 HydrophobicContact CD2-CE2 4.43Å; S523-Y527 WeakPolarHBondContact O-CD1 3.47Å; S523-Y527 WeakPolarHBondContact O-CD2 3.35Å; S523-Y527 VanDerWaalsContact O-CG 3.23Å; S523-Y527 PolarHBondContact O-N 3.17Å; L524-Y527 HydrophobicContact CD2-CD2 4.5Å; L524-Y527 PolarHBondContact O-N 2.84Å; I525-Y527 VanDerWaalsContact C-N 3.34Å; I525-Y527 PolarHBondContact O-N 2.72Å; Y527-Q530 PolarHBondContact O-N 2.98Å; Y527-L531 WeakPolarHBondContact O-CG 3.22Å; Y527-L531 PolarHBondContact O-N 2.92Å; Y527-N558 WeakPolarHBondContact CE1-O 3.48Å; Y527-N558 PolarHBondContact OH-O 3.32Å; Y527-V561 HydrophobicContact CD1-CG1 3.53Å; Y527-V561 HydrophobicContact CD1-CG2 4.29Å; Y527-V561 HydrophobicContact CD2-CG1 4.39Å; Y527-V561 HydrophobicContact CE1-CG1 4.01Å; Y527-V561 HydrophobicContact CG-CG1 3.76Å; Y527-V561 HydrophobicContact CG-CG2 4.41Å; Y527-I616 HydrophobicContact CD2-CG2 4.37Å
528	A	98.7	Very high	97.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.2	-43.5	174.9	0	0	0	0	0	112.1	L524 I525 L526 L531 S532 F609 M613 L677	L524-A528 PolarHBondContact O-N 2.92Å; I525-A528 PolarHBondContact O-N 3.29Å; L526-A528 PolarHBondContact O-N 3.48Å; A528-L531 PolarHBondContact O-N 3.08Å; A528-S532 PolarHBondContact O-N 3.21Å; A528-F609 WeakPolarHBondContact O-CZ 3.22Å; A528-M613 HydrophobicContact CB-CG 3.99Å; A528-M613 HydrophobicContact CB-SD 4.3Å; A528-L677 HydrophobicContact CB-CD1 4.49Å; A528-L677 HydrophobicContact CB-CD2 4.19Å
529	Y	98.8	Very high	97.2	Very high	57 Å²	57	18.3 Å²	18.3	22%	0.224	10%	0.095	C	C	.	.	H	α-helix	trans	-59.9	-50.8	175.1	172.7	-104.5	0	0	0	111.5	I525 L526 L531 S532 T533 K674 L677 L681	I525-Y529 WeakPolarHBondContact O-CB 3.09Å; I525-Y529 PolarHBondContact O-N 2.7Å; L526-Y529 PolarHBondContact O-N 2.71Å; Y529-L531 VanDerWaalsContact C-N 3.34Å; Y529-L531 PolarHBondContact O-N 3.1Å; Y529-S532 WeakPolarHBondContact O-CA 3.21Å; Y529-S532 WeakPolarHBondContact O-CB 3.46Å; Y529-S532 PolarHBondContact O-N 3.02Å; Y529-S532 PolarHBondContact O-OG 2.97Å; Y529-T533 HydrophobicContact CD1-CG2 4.5Å; Y529-T533 HydrophobicContact CE1-CG2 4.08Å; Y529-T533 HydrophobicContact CE2-CG2 4.15Å; Y529-T533 WeakPolarHBondContact O-CG2 3.48Å; Y529-T533 PolarHBondContact O-N 3.43Å; Y529-K674 HydrophobicContact CE2-CG 4.01Å; Y529-L677 HydrophobicContact CD2-CB 4.1Å; Y529-L681 HydrophobicContact CD1-CD2 4.3Å; Y529-L681 HydrophobicContact CG-CD2 4.35Å
530	Q	98.8	Very high	97.3	Very high	15 Å²	15	21.2 Å²	21.2	7%	0.07	12%	0.117	C	C	.	.	H	α-helix	trans	-56.7	-46.1	179	-73.8	178.6	-11.8	0	0	112.1	H483 L526 Y527 S532 T533 A534 D559 V561	H483-Q530 HydrophobicContact CB-CB 4.45Å; H483-Q530 VanDerWaalsContact CE1-CG 3.41Å; H483-Q530 WeakPolarHBondContact CE1-CG 3.3Å; H483-Q530 PolarHBondContact CE1-NE2 3.19Å; L526-Q530 HydrophobicContact CD1-CG 4.14Å; L526-Q530 HydrophobicContact CG-CG 4.45Å; L526-Q530 WeakPolarHBondContact O-CB 3.19Å; L526-Q530 VanDerWaalsContact O-CG 3.28Å; L526-Q530 WeakPolarHBondContact O-CG 3.47Å; L526-Q530 PolarHBondContact O-N 3.43Å; Y527-Q530 PolarHBondContact O-N 2.98Å; Q530-S532 PolarHBondContact O-N 3.18Å; Q530-T533 PolarHBondContact O-N 3.5Å; Q530-T533 VanDerWaalsContact O-N 3.16Å; Q530-T533 PolarHBondContact O-OG1 3.06Å; Q530-A534 PolarHBondContact O-N 3.41Å; Q530-D559 PolarHBondContact NE2-O 2.98Å; Q530-V561 HydrophobicContact CB-CG2 3.96Å
531	L	98.8	Very high	97	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-62.1	-40.1	174.2	-69.7	173.5	0	0	0	112.6	Y527 A528 Y529 T533 A534 L535 V553 V561 L563 F609 I616	Y527-L531 WeakPolarHBondContact O-CG 3.22Å; Y527-L531 PolarHBondContact O-N 2.92Å; A528-L531 PolarHBondContact O-N 3.08Å; Y529-L531 VanDerWaalsContact C-N 3.34Å; Y529-L531 PolarHBondContact O-N 3.1Å; L531-T533 PolarHBondContact O-N 3.06Å; L531-A534 PolarHBondContact O-N 3.04Å; L531-L535 WeakPolarHBondContact O-CB 3.36Å; L531-L535 VanDerWaalsContact O-CG 3.29Å; L531-L535 WeakPolarHBondContact O-CG 3.35Å; L531-L535 PolarHBondContact O-N 3.15Å; L531-V553 HydrophobicContact CD1-CG1 4.25Å; L531-V553 HydrophobicContact CD1-CG2 3.91Å; L531-V553 HydrophobicContact CD2-CB 4.43Å; L531-V553 HydrophobicContact CD2-CG1 3.83Å; L531-V553 HydrophobicContact CD2-CG2 3.67Å; L531-V553 HydrophobicContact CG-CG1 4.47Å; L531-V553 HydrophobicContact CG-CG2 4.45Å; L531-V561 HydrophobicContact CD2-CG2 4.34Å; L531-V561 HydrophobicContact CG-CG2 4.05Å; L531-L563 HydrophobicContact CD2-CB 4.14Å; L531-L563 HydrophobicContact CD2-CD1 4.34Å; L531-F609 HydrophobicContact CB-CD2 4.49Å; L531-F609 HydrophobicContact CB-CE2 3.82Å; L531-I616 HydrophobicContact CD1-CD1 3.81Å
532	S	98.7	Very high	96.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.8	-32.5	175.4	79.8	0	0	0	0	112.8	A528 Y529 Q530 A536 K674	A528-S532 PolarHBondContact O-N 3.21Å; Y529-S532 WeakPolarHBondContact O-CA 3.21Å; Y529-S532 WeakPolarHBondContact O-CB 3.46Å; Y529-S532 PolarHBondContact O-N 3.02Å; Y529-S532 PolarHBondContact O-OG 2.97Å; Q530-S532 PolarHBondContact O-N 3.18Å; S532-A536 VanDerWaalsContact O-CB 3.28Å; S532-A536 WeakPolarHBondContact O-CB 3.31Å; S532-A536 PolarHBondContact O-N 2.79Å; S532-K674 VanDerWaalsContact OG-CA 3.32Å; S532-K674 WeakPolarHBondContact OG-CA 3.44Å
533	T	98.6	Very high	96.2	Very high	11 Å²	11	27 Å²	27	7%	0.067	13%	0.133	C	C	.	.	H	α-helix	trans	-68.3	-43	174.8	70.4	0	0	0	0	112.1	H481 H483 Y529 Q530 L531 A536 Y537 K674	H481-T533 PolarHBondContact CE1-OG1 2.93Å; H481-T533 VanDerWaalsContact CE1-OG1 3.29Å; H483-T533 PolarHBondContact CD2-OG1 3.34Å; Y529-T533 HydrophobicContact CD1-CG2 4.5Å; Y529-T533 HydrophobicContact CE1-CG2 4.08Å; Y529-T533 HydrophobicContact CE2-CG2 4.15Å; Y529-T533 WeakPolarHBondContact O-CG2 3.48Å; Y529-T533 PolarHBondContact O-N 3.43Å; Q530-T533 PolarHBondContact O-N 3.5Å; Q530-T533 VanDerWaalsContact O-N 3.16Å; Q530-T533 PolarHBondContact O-OG1 3.06Å; L531-T533 PolarHBondContact O-N 3.06Å; T533-A536 PolarHBondContact O-N 3Å; T533-Y537 PolarHBondContact O-N 2.93Å; T533-K674 HydrophobicContact CG2-CD 3.89Å; T533-K674 HydrophobicContact CG2-CG 4.09Å
534	A	98	Very high	95.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.7	-41.6	175.5	0	0	0	0	0	112.2	H481 H483 I484 Q530 L531 Y537 L538 L563	H481-A534 VanDerWaalsContact CE1-CA 3.48Å; H481-A534 WeakPolarHBondContact CE1-CA 3.44Å; H481-A534 PolarHBondContact CE1-N 2.93Å; H483-A534 HydrophobicContact CB-CB 4.12Å; H483-A534 WeakPolarHBondContact O-CB 3.28Å; I484-A534 HydrophobicContact CD1-CB 4.35Å; I484-A534 HydrophobicContact CG1-CB 3.77Å; Q530-A534 PolarHBondContact O-N 3.41Å; L531-A534 PolarHBondContact O-N 3.04Å; A534-Y537 WeakPolarHBondContact O-CB 3.38Å; A534-Y537 PolarHBondContact O-N 3.41Å; A534-L538 WeakPolarHBondContact O-CG 3.31Å; A534-L538 PolarHBondContact O-N 3.24Å; A534-L563 HydrophobicContact CB-CB 4.33Å; A534-L563 HydrophobicContact CB-CD2 4.29Å
535	L	98.2	Very high	95.4	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-72.5	-34.6	-179.7	-67	167.9	0	0	0	112.4	L531 Y537 L538 E539 I548 L563 F609 F670	L531-L535 WeakPolarHBondContact O-CB 3.36Å; L531-L535 VanDerWaalsContact O-CG 3.29Å; L531-L535 WeakPolarHBondContact O-CG 3.35Å; L531-L535 PolarHBondContact O-N 3.15Å; L535-Y537 VanDerWaalsContact C-N 3.31Å; L535-L538 HydrophobicContact CD2-CD1 4.38Å; L535-L538 PolarHBondContact O-N 2.6Å; L535-E539 WeakPolarHBondContact O-CB 3.46Å; L535-E539 PolarHBondContact O-N 3.17Å; L535-I548 HydrophobicContact CD1-CD1 4.06Å; L535-I548 HydrophobicContact CD1-CG2 4.26Å; L535-I548 HydrophobicContact CD2-CD1 3.42Å; L535-I548 VanDerWaalsContact CD2-CD1 3.42Å; L535-I548 HydrophobicContact CD2-CG1 3.98Å; L535-I548 HydrophobicContact CG-CD1 4.41Å; L535-L563 HydrophobicContact CD2-CD2 3.55Å; L535-L563 HydrophobicContact CG-CD2 4.04Å; L535-F609 HydrophobicContact CD1-CB 3.98Å; L535-F609 HydrophobicContact CD1-CD2 3.38Å; L535-F609 HydrophobicContact CD1-CE2 4.04Å; L535-F609 HydrophobicContact CD1-CG 3.78Å; L535-F670 HydrophobicContact CB-CB 4.44Å; L535-F670 HydrophobicContact CB-CD1 3.5Å; L535-F670 VanDerWaalsContact CB-CD1 3.5Å; L535-F670 HydrophobicContact CB-CD2 3.99Å; L535-F670 HydrophobicContact CB-CE1 3.55Å; L535-F670 HydrophobicContact CB-CE2 4.01Å; L535-F670 HydrophobicContact CB-CG 3.72Å; L535-F670 HydrophobicContact CB-CZ 3.79Å; L535-F670 HydrophobicContact CD1-CD1 4.19Å; L535-F670 HydrophobicContact CD1-CE1 3.52Å; L535-F670 HydrophobicContact CD1-CZ 3.89Å; L535-F670 HydrophobicContact CD2-CZ 4.33Å; L535-F670 HydrophobicContact CG-CD1 4.47Å; L535-F670 HydrophobicContact CG-CE1 4.08Å; L535-F670 HydrophobicContact CG-CZ 4.22Å
536	A	98	Very high	94.9	Very high	12 Å²	12	26.1 Å²	26.1	10%	0.099	12%	0.124	C	C	.	.	H	α-helix	trans	-64.4	-36.1	169.6	0	0	0	0	0	112.2	S532 T533 S540 F670 T671	S532-A536 VanDerWaalsContact O-CB 3.28Å; S532-A536 WeakPolarHBondContact O-CB 3.31Å; S532-A536 PolarHBondContact O-N 2.79Å; T533-A536 PolarHBondContact O-N 3Å; A536-S540 PolarHBondContact O-N 3.12Å; A536-F670 HydrophobicContact CB-CB 3.89Å; A536-T671 HydrophobicContact CB-CG2 4.39Å
537	Y	97.3	Very high	94.4	Very high	45 Å²	45	25.2 Å²	25.2	18%	0.176	12%	0.12	C	C	.	.	H	α-helix	trans	-63.9	-48.2	172.5	176.6	-89.2	0	0	0	111.6	F479 D480 H481 I484 T533 A534 L535 E539 S540 K541	F479-Y537 HydrophobicContact CB-CE1 4.06Å; F479-Y537 AromaticContact CD1-CE1 3.96Å; F479-Y537 HydrophobicContact CD1-CE1 3.96Å; F479-Y537 HydrophobicContact CG-CE1 4.32Å; D480-Y537 PolarHBondContact N-OH 3.06Å; D480-Y537 WeakPolarHBondContact O-CE2 3.18Å; D480-Y537 PolarHBondContact O-OH 3.06Å; H481-Y537 HydrophobicContact CB-CD1 4.08Å; H481-Y537 HydrophobicContact CB-CD2 4.26Å; H481-Y537 HydrophobicContact CB-CE1 4.23Å; H481-Y537 HydrophobicContact CB-CE2 4.38Å; H481-Y537 HydrophobicContact CB-CG 4.09Å; H481-Y537 AromaticContact CD2-CD2 3.87Å; H481-Y537 AromaticContact CD2-CG 3.87Å; I484-Y537 HydrophobicContact CD1-CD1 3.7Å; I484-Y537 HydrophobicContact CD1-CE1 4.17Å; T533-Y537 PolarHBondContact O-N 2.93Å; A534-Y537 WeakPolarHBondContact O-CB 3.38Å; A534-Y537 PolarHBondContact O-N 3.41Å; L535-Y537 VanDerWaalsContact C-N 3.31Å; Y537-E539 PolarHBondContact O-N 2.81Å; Y537-S540 WeakPolarHBondContact O-CB 3.45Å; Y537-S540 PolarHBondContact O-N 2.95Å; Y537-S540 VanDerWaalsContact O-N 3.16Å; Y537-S540 PolarHBondContact O-OG 2.76Å; Y537-K541 HydrophobicContact CD1-CG 4.45Å; Y537-K541 HydrophobicContact CE1-CG 4.11Å; Y537-K541 WeakPolarHBondContact O-CG 3.38Å; Y537-K541 PolarHBondContact O-N 3.41Å; Y537-K541 VanDerWaalsContact O-N 3.13Å
538	L	94.1	Very high	94.2	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-61.9	-40.7	176.5	-67.4	178.8	0	0	0	112.6	F479 I484 A534 L535 S540 K541 R542 F543 L563 F566	F479-L538 HydrophobicContact CD1-CD2 3.95Å; F479-L538 HydrophobicContact CD2-CD2 4.02Å; F479-L538 HydrophobicContact CE1-CD2 3.67Å; F479-L538 HydrophobicContact CE2-CD2 3.74Å; F479-L538 HydrophobicContact CG-CD2 4.14Å; F479-L538 HydrophobicContact CZ-CD2 3.57Å; I484-L538 HydrophobicContact CD1-CD2 3.92Å; I484-L538 HydrophobicContact CD1-CG 4.03Å; A534-L538 WeakPolarHBondContact O-CG 3.31Å; A534-L538 PolarHBondContact O-N 3.24Å; L535-L538 HydrophobicContact CD2-CD1 4.38Å; L535-L538 PolarHBondContact O-N 2.6Å; L538-S540 VanDerWaalsContact C-N 3.32Å; L538-S540 PolarHBondContact O-N 3.2Å; L538-K541 CarbonylContact O-C 3.11Å; L538-K541 PolarHBondContact O-N 3.1Å; L538-K541 VanDerWaalsContact O-N 3.09Å; L538-R542 PolarHBondContact O-N 3.09Å; L538-R542 VanDerWaalsContact O-N 3.15Å; L538-F543 HydrophobicContact CB-CB 4.43Å; L538-F543 HydrophobicContact CD2-CB 4.32Å; L538-F543 PolarHBondContact O-N 3.26Å; L538-L563 HydrophobicContact CD1-CD2 3.94Å; L538-F566 HydrophobicContact CD1-CE1 3.96Å; L538-F566 HydrophobicContact CD1-CZ 4.5Å; L538-F566 HydrophobicContact CD2-CE1 4.14Å
539	E	93.9	Very high	94	Very high	34 Å²	34	25.2 Å²	25.2	16%	0.159	12%	0.12	C	C	.	.	H	α-helix	trans	-58.7	-43	173.4	-177	174	-135	0	0	111.1	L535 Y537 K541 R542 F670	L535-E539 WeakPolarHBondContact O-CB 3.46Å; L535-E539 PolarHBondContact O-N 3.17Å; Y537-E539 PolarHBondContact O-N 2.81Å; E539-K541 PolarHBondContact O-N 3.04Å; E539-R542 PolarHBondContact O-N 3.06Å; E539-R542 VanDerWaalsContact O-N 3.09Å; E539-F670 HydrophobicContact CB-CD2 4.27Å; E539-F670 PolarHBondContact OE2-N 3.41Å
540	S	93.7	Very high	93.9	Very high	87 Å²	87	22.5 Å²	22.5	61%	0.608	11%	0.109	S	C	*	.	H	α-helix	trans	-64.4	-27.1	176.4	81.8	0	0	0	0	113.7	A536 Y537 L538	A536-S540 PolarHBondContact O-N 3.12Å; Y537-S540 WeakPolarHBondContact O-CB 3.45Å; Y537-S540 PolarHBondContact O-N 2.95Å; Y537-S540 VanDerWaalsContact O-N 3.16Å; Y537-S540 PolarHBondContact O-OG 2.76Å; L538-S540 VanDerWaalsContact C-N 3.32Å; L538-S540 PolarHBondContact O-N 3.2Å
541	K	89.1	Confident	93.5	Very high	94 Å²	94	25.1 Å²	25.1	41%	0.409	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	3.8	176	-64.7	-73.5	-173.4	163.9	0	113.4	Y537 L538 E539 F543	Y537-K541 HydrophobicContact CD1-CG 4.45Å; Y537-K541 HydrophobicContact CE1-CG 4.11Å; Y537-K541 WeakPolarHBondContact O-CG 3.38Å; Y537-K541 PolarHBondContact O-N 3.41Å; Y537-K541 VanDerWaalsContact O-N 3.13Å; L538-K541 CarbonylContact O-C 3.11Å; L538-K541 PolarHBondContact O-N 3.1Å; L538-K541 VanDerWaalsContact O-N 3.09Å; E539-K541 PolarHBondContact O-N 3.04Å; K541-F543 VanDerWaalsContact C-N 3.28Å; K541-F543 HydrophobicContact CB-CD2 3.87Å; K541-F543 HydrophobicContact CB-CE2 4.49Å; K541-F543 VanDerWaalsContact O-CD2 3.29Å; K541-F543 WeakPolarHBondContact O-CD2 3.43Å; K541-F543 PolarHBondContact O-N 2.79Å
542	R	86.9	Confident	93.2	Very high	126 Å²	126	25.8 Å²	25.8	48%	0.475	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	30	-175.2	-54.9	-177.1	176.8	-167.1	1.2	114.8	L538 E539 Y571 M572 D574	L538-R542 PolarHBondContact O-N 3.09Å; L538-R542 VanDerWaalsContact O-N 3.15Å; E539-R542 PolarHBondContact O-N 3.06Å; E539-R542 VanDerWaalsContact O-N 3.09Å; R542-Y571 HydrophobicContact CB-CD2 4.45Å; R542-Y571 HydrophobicContact CB-CE2 3.99Å; R542-M572 PolarHBondContact O-N 3.02Å; R542-D574 IonicContact NH1-OD1 3.49Å; R542-D574 PolarHBondContact NH1-OD1 2.96Å
543	F	87.4	Confident	93.1	Very high	10 Å²	10	25.8 Å²	25.8	4%	0.044	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	142.5	173.8	-82.4	-91.1	0	0	0	112	T475 F479 L538 K541 R570 Y571	T475-F543 HydrophobicContact CG2-CD1 4.09Å; T475-F543 HydrophobicContact CG2-CE1 3.68Å; T475-F543 HydrophobicContact CG2-CZ 4.46Å; F479-F543 HydrophobicContact CE1-CD1 4.46Å; F479-F543 AromaticContact CE1-CD2 3.57Å; F479-F543 HydrophobicContact CE1-CD2 3.57Å; F479-F543 AromaticContact CE1-CE2 3.74Å; F479-F543 HydrophobicContact CE1-CE2 3.74Å; F479-F543 AromaticContact CE1-CG 3.95Å; F479-F543 HydrophobicContact CE1-CG 3.95Å; F479-F543 HydrophobicContact CE1-CZ 4.26Å; F479-F543 HydrophobicContact CZ-CB 4.23Å; F479-F543 AromaticContact CZ-CD1 3.82Å; F479-F543 HydrophobicContact CZ-CD1 3.82Å; F479-F543 AromaticContact CZ-CD2 3.76Å; F479-F543 HydrophobicContact CZ-CD2 3.76Å; F479-F543 HydrophobicContact CZ-CE1 4.06Å; F479-F543 AromaticContact CZ-CE2 4Å; F479-F543 HydrophobicContact CZ-CE2 4Å; F479-F543 AromaticContact CZ-CG 3.65Å; F479-F543 HydrophobicContact CZ-CG 3.65Å; F479-F543 HydrophobicContact CZ-CZ 4.14Å; L538-F543 HydrophobicContact CB-CB 4.43Å; L538-F543 HydrophobicContact CD2-CB 4.32Å; L538-F543 PolarHBondContact O-N 3.26Å; K541-F543 VanDerWaalsContact C-N 3.28Å; K541-F543 HydrophobicContact CB-CD2 3.87Å; K541-F543 HydrophobicContact CB-CE2 4.49Å; K541-F543 VanDerWaalsContact O-CD2 3.29Å; K541-F543 WeakPolarHBondContact O-CD2 3.43Å; K541-F543 PolarHBondContact O-N 2.79Å; F543-R570 WeakPolarHBondContact CD1-O 3.5Å; F543-Y571 HydrophobicContact CD2-CD2 4.12Å; F543-Y571 AromaticContact CE2-CD2 3.71Å; F543-Y571 HydrophobicContact CE2-CD2 3.71Å; F543-Y571 AromaticContact CZ-CD2 3.93Å; F543-Y571 HydrophobicContact CZ-CD2 3.93Å; F543-Y571 HydrophobicContact CZ-CG 4.3Å
544	V	88.7	Confident	93	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.012	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.3	171.2	-172.1	0	0	0	0	108.1	R546 S569 R570 M572 F600 D605	V544-R546 HydrophobicContact CB-CG 4.23Å; V544-R546 HydrophobicContact CG1-CG 3.67Å; V544-S569 WeakPolarHBondContact O-CA 3.44Å; V544-R570 PolarHBondContact N-O 2.93Å; V544-R570 VanDerWaalsContact N-O 3.08Å; V544-R570 PolarHBondContact O-N 2.73Å; V544-R570 VanDerWaalsContact O-N 3.1Å; V544-M572 HydrophobicContact CG2-CE 3.51Å; V544-M572 HydrophobicContact CG2-CG 3.87Å; V544-M572 HydrophobicContact CG2-SD 3.42Å; V544-M572 WeakPolarHBondContact CG2-SD 3.45Å; V544-F600 HydrophobicContact CG1-CB 4.22Å; V544-D605 WeakPolarHBondContact CA-OD2 3.49Å; V544-D605 WeakPolarHBondContact CG1-OD1 3.43Å; V544-D605 WeakPolarHBondContact CG1-OD2 3.48Å
545	H	91.3	Very high	93	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	13%	0.132	C	C	.	.			trans	-82.2	-34.2	-175.1	-167.3	-47.3	0	0	0	112.7	D547 I548 G564 D565 S569 D605	H545-D547 PolarHBondContact O-N 2.72Å; H545-I548 HydrophobicContact CB-CD1 4.24Å; H545-I548 HydrophobicContact CB-CG1 3.92Å; H545-G564 PolarHBondContact CE1-O 3.36Å; H545-G564 PolarHBondContact NE2-O 2.96Å; H545-D565 PolarHBondContact CE1-O 3.22Å; H545-S569 WeakPolarHBondContact CA-OG 3.49Å; H545-D605 PolarHBondContact N-OD2 2.97Å
546	R	86.9	Confident	92.8	Very high	16 Å²	16	29.3 Å²	29.3	6%	0.06	14%	0.143	C	C	.	.	S	Bend	trans	66.6	-5.8	171.8	-52.3	176.6	38.5	-138.4	-7.6	117.3	V544 L568 A580 F600 D605 M608	V544-R546 HydrophobicContact CB-CG 4.23Å; V544-R546 HydrophobicContact CG1-CG 3.67Å; R546-L568 WeakPolarHBondContact CD-O 3.41Å; R546-L568 PolarHBondContact NH1-O 3.06Å; R546-A580 VanDerWaalsContact NH2-CB 3.35Å; R546-F600 HydrophobicContact CB-CD1 3.66Å; R546-F600 HydrophobicContact CB-CE1 4.05Å; R546-F600 HydrophobicContact CB-CG 4.33Å; R546-F600 HydrophobicContact CG-CB 3.82Å; R546-F600 HydrophobicContact CG-CD1 3.72Å; R546-F600 HydrophobicContact CG-CG 3.91Å; R546-D605 PolarHBondContact N-OD1 2.68Å; R546-M608 VanDerWaalsContact C-SD 3.54Å; R546-M608 WeakPolarHBondContact O-CE 3.33Å
547	D	87.4	Confident	92.7	Very high	13 Å²	13	30.7 Å²	30.7	7%	0.07	15%	0.152	C	C	.	.			trans	-149.4	61.2	174.8	-163	23.7	0	0	0	112.9	H545 A549 R551 N552 L568 P586	H545-D547 PolarHBondContact O-N 2.72Å; D547-A549 PolarHBondContact O-N 3.07Å; D547-R551 IonicContact OD1-CZ 3.65Å; D547-R551 IonicContact OD1-NH2 3.44Å; D547-R551 PolarHBondContact OD1-NH2 2.98Å; D547-R551 IonicContact OD2-CZ 2.85Å; D547-R551 IonicContact OD2-NE 2.58Å; D547-R551 IonicContact OD2-NH2 3.03Å; D547-R551 PolarHBondContact OD2-NH2 3.08Å; D547-N552 VanDerWaalsContact CG-ND2 3.31Å; D547-N552 PolarHBondContact O-ND2 2.69Å; D547-N552 PolarHBondContact OD2-ND2 2.63Å; D547-L568 HydrophobicContact CB-CD1 4.01Å; D547-P586 WeakPolarHBondContact OD1-CG 3.4Å
548	I	95.9	Very high	92.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.			trans	-81.6	113.1	177	-58.9	160	0	0	0	108.9	L535 H545 D605 M608 F609 C612 F670	L535-I548 HydrophobicContact CD1-CD1 4.06Å; L535-I548 HydrophobicContact CD1-CG2 4.26Å; L535-I548 HydrophobicContact CD2-CD1 3.42Å; L535-I548 VanDerWaalsContact CD2-CD1 3.42Å; L535-I548 HydrophobicContact CD2-CG1 3.98Å; L535-I548 HydrophobicContact CG-CD1 4.41Å; H545-I548 HydrophobicContact CB-CD1 4.24Å; H545-I548 HydrophobicContact CB-CG1 3.92Å; I548-D605 HydrophobicContact CD1-CB 3.52Å; I548-M608 HydrophobicContact CB-CB 3.87Å; I548-F609 HydrophobicContact CG2-CB 4.32Å; I548-C612 HydrophobicContact CG2-CB 4.08Å; I548-F670 HydrophobicContact CD1-CZ 4.39Å
549	A	94.3	Very high	92.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-158	158.5	179.7	0	0	0	0	0	110.6	D547 R551 N552 W589	D547-A549 PolarHBondContact O-N 3.07Å; A549-R551 HydrophobicContact CB-CG 3.95Å; A549-R551 PolarHBondContact O-N 2.69Å; A549-N552 PolarHBondContact O-N 3.45Å; A549-W589 HydrophobicContact CB-CG 4.27Å
550	A	95.3	Very high	92.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-12.9	-178.2	0	0	0	0	0	114.7	R509 E615	R509-A550 HydrophobicContact CB-CB 3.93Å; R509-A550 PolarHBondContact N-O 3.46Å; R509-A550 VanDerWaalsContact N-O 3.12Å; A550-E615 HydrophobicContact CB-CB 3.98Å; A550-E615 PolarHBondContact N-OE2 2.87Å
551	R	91.3	Very high	93	Very high	69 Å²	69	32.7 Å²	32.7	26%	0.26	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-21.8	173.1	61.1	167.5	-168.2	-72.7	-0.8	114.8	E507 D547 A549	E507-R551 VanDerWaalsContact OE1-CA 3.25Å; E507-R551 WeakPolarHBondContact OE1-CA 3.44Å; E507-R551 WeakPolarHBondContact OE1-CB 3.31Å; D547-R551 IonicContact OD1-CZ 3.65Å; D547-R551 IonicContact OD1-NH2 3.44Å; D547-R551 PolarHBondContact OD1-NH2 2.98Å; D547-R551 IonicContact OD2-CZ 2.85Å; D547-R551 IonicContact OD2-NE 2.58Å; D547-R551 IonicContact OD2-NH2 3.03Å; D547-R551 PolarHBondContact OD2-NH2 3.08Å; A549-R551 HydrophobicContact CB-CG 3.95Å; A549-R551 PolarHBondContact O-N 2.69Å
552	N	92.4	Very high	93.5	Very high	15 Å²	15	29.3 Å²	29.3	8%	0.08	15%	0.147	C	C	.	.	S	Bend	trans	-103.2	13.1	179.2	-61.1	-7.8	0	0	0	110.8	D547 A549 G564 D565	D547-N552 VanDerWaalsContact CG-ND2 3.31Å; D547-N552 PolarHBondContact O-ND2 2.69Å; D547-N552 PolarHBondContact OD2-ND2 2.63Å; A549-N552 PolarHBondContact O-N 3.45Å; N552-G564 CarbonylContact O-C 3.59Å; N552-G564 PolarHBondContact O-N 2.89Å; N552-D565 HydrophobicContact CB-CB 4.26Å
553	V	97	Very high	94	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131	174.5	179	0	0	0	0	108.1	L508 L531 V561 L563	L508-V553 HydrophobicContact CB-CB 4.02Å; L508-V553 HydrophobicContact CB-CG1 3.97Å; L508-V553 WeakPolarHBondContact CB-O 3.14Å; L508-V553 HydrophobicContact CD2-CB 3.94Å; L508-V553 HydrophobicContact CD2-CG1 3.54Å; L508-V553 HydrophobicContact CG-CG1 4.38Å; L508-V553 PolarHBondContact N-O 3.16Å; L531-V553 HydrophobicContact CD1-CG1 4.25Å; L531-V553 HydrophobicContact CD1-CG2 3.91Å; L531-V553 HydrophobicContact CD2-CB 4.43Å; L531-V553 HydrophobicContact CD2-CG1 3.83Å; L531-V553 HydrophobicContact CD2-CG2 3.67Å; L531-V553 HydrophobicContact CG-CG1 4.47Å; L531-V553 HydrophobicContact CG-CG2 4.45Å; V553-V561 HydrophobicContact CG1-CB 3.82Å; V553-V561 HydrophobicContact CG1-CG1 4.42Å; V553-V561 HydrophobicContact CG1-CG2 4.29Å; V553-L563 HydrophobicContact CG2-CD1 4.15Å
554	L	96.7	Very high	94.1	Very high	54 Å²	54	23 Å²	23	28%	0.283	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	150.2	-179.6	-56.6	-178.2	0	0	0	110.9	V485 C503 G506 V561 K562	V485-L554 HydrophobicContact CG2-CD1 4.07Å; C503-L554 HydrophobicContact CB-CB 3.47Å; C503-L554 VanDerWaalsContact CB-CB 3.47Å; C503-L554 HydrophobicContact CB-CD1 4.07Å; C503-L554 HydrophobicContact CB-CG 4.39Å; G506-L554 CarbonylContact O-C 3.49Å; G506-L554 WeakPolarHBondContact O-CA 3.33Å; L554-V561 CarbonylContact O-C 3.48Å; L554-V561 WeakPolarHBondContact O-CA 3.5Å; L554-K562 PolarHBondContact N-O 3.45Å; L554-K562 PolarHBondContact O-N 2.96Å
555	V	97.4	Very high	93.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	114.1	-179	-169.8	0	0	0	0	108.9	C503 L505 G506 L508 F511 S557 V561	C503-V555 CarbonylContact C-O 3.55Å; C503-V555 WeakPolarHBondContact CB-O 3.45Å; L505-V555 HydrophobicContact CB-CB 3.77Å; L505-V555 HydrophobicContact CB-CG1 3.78Å; L505-V555 WeakPolarHBondContact CB-O 3.49Å; L505-V555 HydrophobicContact CD1-CG1 3.93Å; L505-V555 HydrophobicContact CG-CG1 4.48Å; L505-V555 PolarHBondContact N-O 2.85Å; G506-V555 PolarHBondContact O-N 3.14Å; L508-V555 HydrophobicContact CB-CG2 3.85Å; L508-V555 HydrophobicContact CD1-CG2 3.75Å; L508-V555 HydrophobicContact CG-CG2 4.42Å; F511-V555 HydrophobicContact CB-CG2 4.03Å; F511-V555 HydrophobicContact CD1-CG2 4.11Å; F511-V555 HydrophobicContact CD2-CG1 4.3Å; F511-V555 HydrophobicContact CD2-CG2 4.46Å; F511-V555 HydrophobicContact CE1-CG1 4.37Å; F511-V555 HydrophobicContact CE2-CG1 4.16Å; F511-V555 HydrophobicContact CG-CG1 4.47Å; F511-V555 HydrophobicContact CG-CG2 3.97Å; F511-V555 HydrophobicContact CZ-CG1 4.19Å; V555-S557 WeakPolarHBondContact CG1-O 3.38Å; V555-V561 HydrophobicContact CG2-CG1 4.29Å
556	S	94.8	Very high	93.3	Very high	34 Å²	34	26 Å²	26	24%	0.238	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-42.1	-179.3	-170.3	0	0	0	0	111.4	T504 C560	T504-S556 PolarHBondContact OG1-O 2.91Å; S556-C560 PolarHBondContact N-O 2.88Å
557	S	95.9	Very high	92.4	Very high	41 Å²	41	26.1 Å²	26.1	29%	0.287	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	170.3	175.1	59.1	0	0	0	0	108.9	V555 D559 C560	V555-S557 WeakPolarHBondContact CG1-O 3.38Å; S557-D559 WeakPolarHBondContact CB-OD1 3.43Å; S557-D559 PolarHBondContact O-N 3.34Å; S557-D559 PolarHBondContact OG-OD1 3.01Å; S557-C560 PolarHBondContact N-O 3.2Å; S557-C560 PolarHBondContact O-N 2.96Å; S557-C560 VanDerWaalsContact O-N 3.08Å; S557-C560 WeakPolarHBondContact OG-CB 3.48Å; S557-C560 PolarHBondContact OG-N 3.48Å
558	N	93.6	Very high	91.3	Very high	89 Å²	89	28.7 Å²	28.7	48%	0.476	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-26.6	-178.2	-67.7	-16	0	0	0	113.4	L505 R515 Y527	L505-N558 WeakPolarHBondContact CD1-OD1 3.49Å; R515-N558 PolarHBondContact NH1-OD1 3.12Å; Y527-N558 WeakPolarHBondContact CE1-O 3.48Å; Y527-N558 PolarHBondContact OH-O 3.32Å
559	D	95.3	Very high	90	Very high	98 Å²	98	28.8 Å²	28.8	52%	0.524	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	5.7	-175.7	63.5	-31.2	0	0	0	113.6	L526 Q530 S557	L526-D559 HydrophobicContact CD2-CB 4.34Å; Q530-D559 PolarHBondContact NE2-O 2.98Å; S557-D559 WeakPolarHBondContact CB-OD1 3.43Å; S557-D559 PolarHBondContact O-N 3.34Å; S557-D559 PolarHBondContact OG-OD1 3.01Å
560	C	97.8	Very high	88.5	Confident	24 Å²	24	32.1 Å²	32.1	16%	0.162	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	115.5	-177.6	-171.2	0	0	0	0	112.9	S556 S557	S556-C560 PolarHBondContact N-O 2.88Å; S557-C560 PolarHBondContact N-O 3.2Å; S557-C560 PolarHBondContact O-N 2.96Å; S557-C560 VanDerWaalsContact O-N 3.08Å; S557-C560 WeakPolarHBondContact OG-CB 3.48Å; S557-C560 PolarHBondContact OG-N 3.48Å
561	V	98.4	Very high	86.8	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	153.1	168	-59.9	0	0	0	0	111.7	H483 L508 Y527 Q530 L531 V553 L554 V555	H483-V561 PolarHBondContact ND1-O 2.81Å; L508-V561 HydrophobicContact CD1-CG1 4.05Å; L508-V561 HydrophobicContact CD2-CG1 4.28Å; Y527-V561 HydrophobicContact CD1-CG1 3.53Å; Y527-V561 HydrophobicContact CD1-CG2 4.29Å; Y527-V561 HydrophobicContact CD2-CG1 4.39Å; Y527-V561 HydrophobicContact CE1-CG1 4.01Å; Y527-V561 HydrophobicContact CG-CG1 3.76Å; Y527-V561 HydrophobicContact CG-CG2 4.41Å; Q530-V561 HydrophobicContact CB-CG2 3.96Å; L531-V561 HydrophobicContact CD2-CG2 4.34Å; L531-V561 HydrophobicContact CG-CG2 4.05Å; V553-V561 HydrophobicContact CG1-CB 3.82Å; V553-V561 HydrophobicContact CG1-CG1 4.42Å; V553-V561 HydrophobicContact CG1-CG2 4.29Å; L554-V561 CarbonylContact O-C 3.48Å; L554-V561 WeakPolarHBondContact O-CA 3.5Å; V555-V561 HydrophobicContact CG2-CG1 4.29Å
562	K	98.3	Very high	85.1	Confident	24 Å²	24	36 Å²	36	10%	0.104	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	137.4	178	-57.6	-162.9	174.5	-159.4	0	111.2	P482 H483 V485 E501 L554	P482-K562 WeakPolarHBondContact O-CE 3.35Å; P482-K562 PolarHBondContact O-NZ 3.25Å; H483-K562 WeakPolarHBondContact O-CA 3.42Å; V485-K562 HydrophobicContact CG2-CB 3.84Å; E501-K562 WeakPolarHBondContact OE1-CD 3.37Å; E501-K562 IonicContact OE1-NZ 2.79Å; E501-K562 PolarHBondContact OE1-NZ 2.85Å; E501-K562 IonicContact OE2-NZ 3.49Å; E501-K562 PolarHBondContact OE2-NZ 2.93Å; L554-K562 PolarHBondContact N-O 3.45Å; L554-K562 PolarHBondContact O-N 2.96Å
563	L	97.1	Very high	83	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	133.1	175.1	-173.5	60.9	0	0	0	110.4	H483 V485 L531 A534 L535 L538 V553	H483-L563 PolarHBondContact O-N 2.86Å; V485-L563 WeakPolarHBondContact CG2-O 3.46Å; V485-L563 PolarHBondContact N-O 3.18Å; L531-L563 HydrophobicContact CD2-CB 4.14Å; L531-L563 HydrophobicContact CD2-CD1 4.34Å; A534-L563 HydrophobicContact CB-CB 4.33Å; A534-L563 HydrophobicContact CB-CD2 4.29Å; L535-L563 HydrophobicContact CD2-CD2 3.55Å; L535-L563 HydrophobicContact CG-CD2 4.04Å; L538-L563 HydrophobicContact CD1-CD2 3.94Å; V553-L563 HydrophobicContact CG2-CD1 4.15Å
564	G	90.2	Very high	80.1	Confident	4 Å²	4	49.3 Å²	49.3	4%	0.041	26%	0.256	C	S	.	.			trans	-142.4	-171.9	-178.5	0	0	0	0	0	113.3	H545 N552	H545-G564 PolarHBondContact CE1-O 3.36Å; H545-G564 PolarHBondContact NE2-O 2.96Å; N552-G564 CarbonylContact O-C 3.59Å; N552-G564 PolarHBondContact O-N 2.89Å
565	D	81.7	Confident	77.5	Confident	65 Å²	65	50 Å²	50	35%	0.348	27%	0.265	S	S	.	.			trans	58.2	79.2	-171.6	-165.2	12.8	0	0	0	114.4	K455 H545 N552 G567	K455-D565 IonicContact NZ-OD1 2.7Å; H545-D565 PolarHBondContact CE1-O 3.22Å; N552-D565 HydrophobicContact CB-CB 4.26Å; D565-G567 PolarHBondContact OD1-N 3.09Å
566	F	81.1	Confident	75.1	Confident	1 Å²	1	54 Å²	54	0%	0.004	29%	0.289	C	S	.	.			trans	-90.1	6.5	179.7	-69.9	-89.7	0	0	0	113.5	E472 T475 M476 F479 I484 L538 L568 S569	E472-F566 HydrophobicContact CG-CB 4.1Å; T475-F566 HydrophobicContact CG2-CB 4.49Å; M476-F566 HydrophobicContact CE-CD2 4.42Å; M476-F566 HydrophobicContact CG-CB 3.93Å; M476-F566 HydrophobicContact CG-CD2 3.6Å; M476-F566 HydrophobicContact CG-CE2 4.39Å; M476-F566 HydrophobicContact CG-CG 3.89Å; M476-F566 HydrophobicContact SD-CD2 4.04Å; F479-F566 HydrophobicContact CD2-CD1 4.2Å; F479-F566 AromaticContact CD2-CE1 3.83Å; F479-F566 HydrophobicContact CD2-CE1 3.83Å; F479-F566 HydrophobicContact CD2-CZ 4.11Å; F479-F566 AromaticContact CE2-CD1 3.58Å; F479-F566 HydrophobicContact CE2-CD1 3.58Å; F479-F566 AromaticContact CE2-CE1 3.49Å; F479-F566 HydrophobicContact CE2-CE1 3.49Å; F479-F566 VanDerWaalsContact CE2-CE1 3.49Å; F479-F566 HydrophobicContact CE2-CG 4.4Å; F479-F566 HydrophobicContact CE2-CZ 4.23Å; I484-F566 HydrophobicContact CG2-CE2 3.84Å; I484-F566 HydrophobicContact CG2-CZ 3.65Å; L538-F566 HydrophobicContact CD1-CE1 3.96Å; L538-F566 HydrophobicContact CD1-CZ 4.5Å; L538-F566 HydrophobicContact CD2-CE1 4.14Å; F566-L568 PolarHBondContact O-N 3.08Å; F566-L568 VanDerWaalsContact O-N 3.14Å; F566-S569 WeakPolarHBondContact CD1-OG 3.44Å; F566-S569 WeakPolarHBondContact O-CB 3.25Å; F566-S569 PolarHBondContact O-N 3.23Å
567	G	68.8	Low	72.6	Confident	17 Å²	17	54.6 Å²	54.6	18%	0.175	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-30.5	-175.9	0	0	0	0	0	114	D565 R570	D565-G567 PolarHBondContact OD1-N 3.09Å; G567-R570 PolarHBondContact O-NH1 3.12Å
568	L	63.2	Low	70.2	Confident	68 Å²	68	55.8 Å²	55.8	36%	0.356	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-12.4	174.3	-62.5	179	0	0	0	114	R546 D547 F566	R546-L568 WeakPolarHBondContact CD-O 3.41Å; R546-L568 PolarHBondContact NH1-O 3.06Å; D547-L568 HydrophobicContact CB-CD1 4.01Å; F566-L568 PolarHBondContact O-N 3.08Å; F566-L568 VanDerWaalsContact O-N 3.14Å
569	S	68.6	Low	68	Low	1 Å²	1	55.5 Å²	55.5	1%	0.007	28%	0.28	C	S	.	.			trans	-66.8	142.8	-176.4	-62.6	0	0	0	0	111.7	V544 H545 F566	V544-S569 WeakPolarHBondContact O-CA 3.44Å; H545-S569 WeakPolarHBondContact CA-OG 3.49Å; F566-S569 WeakPolarHBondContact CD1-OG 3.44Å; F566-S569 WeakPolarHBondContact O-CB 3.25Å; F566-S569 PolarHBondContact O-N 3.23Å
570	R	64.4	Low	65.6	Low	71 Å²	71	51.1 Å²	51.1	27%	0.268	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	147.6	178.6	-66.2	-63.1	-179.2	-86.6	9.4	111.2	F543 V544 G567 Y578	F543-R570 WeakPolarHBondContact CD1-O 3.5Å; V544-R570 PolarHBondContact N-O 2.93Å; V544-R570 VanDerWaalsContact N-O 3.08Å; V544-R570 PolarHBondContact O-N 2.73Å; V544-R570 VanDerWaalsContact O-N 3.1Å; G567-R570 PolarHBondContact O-NH1 3.12Å; R570-Y578 HydrophobicContact CB-CD2 4.47Å; R570-Y578 HydrophobicContact CG-CD2 4.3Å; R570-Y578 HydrophobicContact CG-CE2 4.15Å
571	Y	57.8	Low	63.1	Low	123 Å²	123	53.1 Å²	53.1	48%	0.482	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	144.7	169.7	-178.5	-110.1	0	0	0	109.9	R542 F543 E573	R542-Y571 HydrophobicContact CB-CD2 4.45Å; R542-Y571 HydrophobicContact CB-CE2 3.99Å; F543-Y571 HydrophobicContact CD2-CD2 4.12Å; F543-Y571 AromaticContact CE2-CD2 3.71Å; F543-Y571 HydrophobicContact CE2-CD2 3.71Å; F543-Y571 AromaticContact CZ-CD2 3.93Å; F543-Y571 HydrophobicContact CZ-CD2 3.93Å; F543-Y571 HydrophobicContact CZ-CG 4.3Å; Y571-E573 HydrophobicContact CD1-CG 4.04Å; Y571-E573 HydrophobicContact CE1-CG 3.88Å
572	M	56.3	Low	60.5	Low	28 Å²	28	59.9 Å²	59.9	14%	0.138	30%	0.301	C	S	.	.			trans	-100.2	106.3	168.1	-66.7	-173.7	-62.6	0	0	110.1	R542 V544	R542-M572 PolarHBondContact O-N 3.02Å; V544-M572 HydrophobicContact CG2-CE 3.51Å; V544-M572 HydrophobicContact CG2-CG 3.87Å; V544-M572 HydrophobicContact CG2-SD 3.42Å; V544-M572 WeakPolarHBondContact CG2-SD 3.45Å
573	E	48.9	Very low	58.1	Low	148 Å²	148	60.8 Å²	60.8	69%	0.692	32%	0.317	S	S	*	.			trans	-63.7	179.1	154.5	-76.4	-171.7	150.5	0	0	110.5	Y571 S575	Y571-E573 HydrophobicContact CD1-CG 4.04Å; Y571-E573 HydrophobicContact CE1-CG 3.88Å; E573-S575 CarbonylContact O-C 3.55Å; E573-S575 PolarHBondContact O-N 3.44Å
574	D	36.4	Very low	55.9	Low	146 Å²	146	71.2 Å²	71.2	78%	0.781	36%	0.362	S	S	*	.	S	Bend	trans	-62.7	-0.3	-168.1	-64.2	-42.2	0	0	0	115.8	R542	R542-D574 IonicContact NH1-OD1 3.49Å; R542-D574 PolarHBondContact NH1-OD1 2.96Å
575	S	40.5	Very low	54.7	Low	69 Å²	69	72.5 Å²	72.5	48%	0.483	37%	0.368	S	S	.	.	S	Bend	trans	-69.6	130.2	159.5	59.4	0	0	0	0	112.5	E573 Y577	E573-S575 CarbonylContact O-C 3.55Å; E573-S575 PolarHBondContact O-N 3.44Å; S575-Y577 PolarHBondContact O-N 3.01Å
576	T	47.8	Very low	54.6	Low	83 Å²	83	70.7 Å²	70.7	51%	0.509	36%	0.36	S	S	.	.	S	Bend	trans	-69.3	2.6	-171.8	59.7	0	0	0	0	116.6	D201 R599 T601	D201-T576 PolarHBondContact OD1-OG1 3.46Å; T576-R599 PolarHBondContact O-NH2 3.15Å; T576-R599 PolarHBondContact OG1-NH2 3.07Å; T576-R599 VanDerWaalsContact OG1-NH2 3.12Å; T576-T601 WeakPolarHBondContact O-CG2 3.18Å
577	Y	43.3	Very low	54.4	Low	46 Å²	46	71.8 Å²	71.8	18%	0.18	37%	0.366	C	S	.	.			trans	-171.4	164.7	-173.1	69.3	-69.3	0	0	0	115.2	D201 S575 R599 F600	D201-Y577 VanDerWaalsContact O-CE1 3.25Å; D201-Y577 WeakPolarHBondContact O-CE1 3.44Å; D201-Y577 PolarHBondContact O-OH 3.41Å; S575-Y577 PolarHBondContact O-N 3.01Å; Y577-R599 VanDerWaalsContact CB-CZ 3.45Å; Y577-R599 HydrophobicContact CD2-CB 4.33Å; Y577-R599 HydrophobicContact CD2-CG 3.8Å; Y577-R599 HydrophobicContact CG-CG 4.02Å; Y577-F600 WeakPolarHBondContact CA-O 3.42Å
578	Y	45.6	Very low	55.3	Low	66 Å²	66	72.6 Å²	72.6	26%	0.259	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	151	170.7	175.9	-92.2	0	0	0	113.1	R570 A580 F600	R570-Y578 HydrophobicContact CB-CD2 4.47Å; R570-Y578 HydrophobicContact CG-CD2 4.3Å; R570-Y578 HydrophobicContact CG-CE2 4.15Å; Y578-A580 HydrophobicContact CE1-CB 3.88Å; Y578-F600 HydrophobicContact CD1-CD2 4.22Å; Y578-F600 PolarHBondContact N-O 3.01Å; Y578-F600 VanDerWaalsContact N-O 3.12Å; Y578-F600 PolarHBondContact O-N 2.98Å
579	K	47.3	Very low	56.7	Low	84 Å²	84	70.8 Å²	70.8	37%	0.365	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.2	175.4	-171.9	-175.5	178.8	-172.9	0	111.9	R598	K579-R598 WeakPolarHBondContact CA-O 3.44Å; K579-R598 HydrophobicContact CG-CB 4.23Å
580	A	43.8	Very low	57.6	Low	5 Å²	5	70.8 Å²	70.8	4%	0.041	35%	0.353	C	S	.	.			trans	-90.1	153.4	-172.5	0	0	0	0	0	116.2	R546 Y578 F600	R546-A580 VanDerWaalsContact NH2-CB 3.35Å; Y578-A580 HydrophobicContact CE1-CB 3.88Å; A580-F600 HydrophobicContact CB-CD2 4.23Å; A580-F600 HydrophobicContact CB-CE2 3.51Å; A580-F600 HydrophobicContact CB-CZ 4.2Å
581	S	45.3	Very low	58.9	Low	67 Å²	67	67.4 Å²	67.4	47%	0.469	34%	0.34	S	S	.	.			trans	-71.2	171.4	177.5	55.2	0	0	0	0	114.8	N47 G583 R598	N47-S581 WeakPolarHBondContact ND2-CA 3.49Å; N47-S581 WeakPolarHBondContact ND2-CB 3.33Å; N47-S581 PolarHBondContact ND2-N 3.09Å; N47-S581 VanDerWaalsContact ND2-N 3.1Å; S581-G583 PolarHBondContact O-N 3.28Å; S581-R598 PolarHBondContact O-NH1 3.06Å
582	K	44.7	Very low	60.4	Low	142 Å²	142	61.6 Å²	61.6	62%	0.617	32%	0.317	S	S	*	.	S	Bend	trans	-75.2	57.3	-176.5	-65.1	169	-178.5	162	0	112.2	E45	E45-K582 IonicContact OE2-NZ 3.99Å; E45-K582 PolarHBondContact OE2-NZ 3.48Å
583	G	46.7	Very low	61.7	Low	43 Å²	43	60.5 Å²	60.5	44%	0.443	31%	0.312	S	S	.	.	S	Bend	trans	-101.4	170.4	175.5	0	0	0	0	0	114.6	S581 L585	S581-G583 PolarHBondContact O-N 3.28Å; G583-L585 PolarHBondContact O-N 3.01Å
584	K	52.3	Low	63.4	Low	218 Å²	218	53.4 Å²	53.4	95%	0.948	28%	0.279	S	S	*	.			trans	-73.4	107	174.6	-175.8	-179	-178.8	-179.3	0	109.9
585	L	65.2	Low	65.4	Low	32 Å²	32	46.9 Å²	46.9	17%	0.168	24%	0.244	C	C	.	.			trans	-89.7	149.7	-172.8	-72.2	179.4	0	0	0	114.3	G583 I587 M590	G583-L585 PolarHBondContact O-N 3.01Å; L585-I587 HydrophobicContact CB-CD1 3.74Å; L585-I587 HydrophobicContact CB-CG1 4.31Å; L585-I587 HydrophobicContact CD1-CD1 4.24Å; L585-I587 PolarHBondContact O-N 3.02Å; L585-M590 HydrophobicContact CB-SD 3.7Å; L585-M590 HydrophobicContact CD1-CE 3.87Å; L585-M590 HydrophobicContact CD1-SD 3.88Å; L585-M590 HydrophobicContact CD2-SD 4.17Å; L585-M590 HydrophobicContact CG-SD 4.14Å
586	P	78.6	Confident	66.9	Low	26 Å²	26	43.8 Å²	43.8	17%	0.169	22%	0.221	C	C	.	.			trans	-80.3	59	174.7	35.1	-36	0	0	0	111.8	D547 K588 W589 M590	D547-P586 WeakPolarHBondContact OD1-CG 3.4Å; P586-K588 PolarHBondContact O-N 3.27Å; P586-W589 HydrophobicContact CB-CE3 3.97Å; P586-W589 PolarHBondContact O-N 3.01Å; P586-M590 HydrophobicContact CG-CG 4.22Å; P586-M590 HydrophobicContact CG-SD 4.41Å; P586-M590 PolarHBondContact O-N 3.49Å
587	I	77.9	Confident	68.1	Low	25 Å²	25	40 Å²	40	13%	0.128	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-35.7	-170.6	-59.6	-61	0	0	0	114.3	L585 W589 M590 I595 N629	L585-I587 HydrophobicContact CB-CD1 3.74Å; L585-I587 HydrophobicContact CB-CG1 4.31Å; L585-I587 HydrophobicContact CD1-CD1 4.24Å; L585-I587 PolarHBondContact O-N 3.02Å; I587-W589 VanDerWaalsContact C-N 3.27Å; I587-W589 PolarHBondContact O-N 3.12Å; I587-M590 HydrophobicContact CD1-SD 4.17Å; I587-M590 PolarHBondContact O-N 3.35Å; I587-I595 HydrophobicContact CD1-CG1 4.4Å; I587-I595 HydrophobicContact CG2-CD1 4.08Å; I587-I595 HydrophobicContact CG2-CG1 4.48Å; I587-N629 HydrophobicContact CB-CB 4.12Å; I587-N629 HydrophobicContact CG1-CB 4.28Å; I587-N629 HydrophobicContact CG2-CB 4.22Å
588	K	86.2	Confident	69.4	Low	33 Å²	33	39.6 Å²	39.6	14%	0.143	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-17.9	-177.5	-51.5	-162	170.7	-168.5	0	115.2	P586 P623 F624 V627 N629 V632	P586-K588 PolarHBondContact O-N 3.27Å; K588-P623 HydrophobicContact CB-CG 4.11Å; K588-P623 VanDerWaalsContact CD-O 3.25Å; K588-P623 WeakPolarHBondContact CD-O 3.18Å; K588-F624 HydrophobicContact CB-CD2 4.3Å; K588-F624 HydrophobicContact CD-CB 4.27Å; K588-F624 PolarHBondContact NZ-O 2.89Å; K588-V627 VanDerWaalsContact CE-O 3.27Å; K588-V627 WeakPolarHBondContact CE-O 3.37Å; K588-V627 PolarHBondContact NZ-O 3.39Å; K588-N629 VanDerWaalsContact CE-OD1 3.24Å; K588-N629 WeakPolarHBondContact CE-OD1 3.25Å; K588-V632 HydrophobicContact CG-CG2 4.29Å
589	W	92.4	Very high	70.9	Confident	31 Å²	31	37.3 Å²	37.3	12%	0.117	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-24.2	176.5	-68.6	-101.7	0	0	0	112.3	A549 P586 I587 W607 M608 V611 E615 P623	A549-W589 HydrophobicContact CB-CG 4.27Å; P586-W589 HydrophobicContact CB-CE3 3.97Å; P586-W589 PolarHBondContact O-N 3.01Å; I587-W589 VanDerWaalsContact C-N 3.27Å; I587-W589 PolarHBondContact O-N 3.12Å; W589-W607 VanDerWaalsContact O-CD1 3.28Å; W589-M608 WeakPolarHBondContact O-CG 3.36Å; W589-V611 HydrophobicContact CG-CG1 4.19Å; W589-E615 VanDerWaalsContact CZ2-OE1 3.31Å; W589-E615 WeakPolarHBondContact CZ2-OE1 3.37Å; W589-E615 PolarHBondContact NE1-OE1 2.82Å; W589-E615 VanDerWaalsContact NE1-OE1 3.17Å; W589-E615 PolarHBondContact NE1-OE2 2.94Å; W589-P623 HydrophobicContact CD2-CG 3.93Å; W589-P623 HydrophobicContact CE3-CG 4.42Å; W589-P623 HydrophobicContact CG-CG 4.42Å; W589-P623 HydrophobicContact CH2-CG 4.23Å; W589-P623 VanDerWaalsContact CZ2-CD 3.49Å; W589-P623 HydrophobicContact CZ2-CG 3.74Å
590	M	88.2	Confident	72.6	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.17	C	C	.	.	S	Bend	trans	-71.7	149.1	-169.6	-70	179.9	63	0	0	114.2	L585 P586 I587 S594 I595 F600 W607 M608	L585-M590 HydrophobicContact CB-SD 3.7Å; L585-M590 HydrophobicContact CD1-CE 3.87Å; L585-M590 HydrophobicContact CD1-SD 3.88Å; L585-M590 HydrophobicContact CD2-SD 4.17Å; L585-M590 HydrophobicContact CG-SD 4.14Å; P586-M590 HydrophobicContact CG-CG 4.22Å; P586-M590 HydrophobicContact CG-SD 4.41Å; P586-M590 PolarHBondContact O-N 3.49Å; I587-M590 HydrophobicContact CD1-SD 4.17Å; I587-M590 PolarHBondContact O-N 3.35Å; M590-S594 VanDerWaalsContact CE-C 3.44Å; M590-S594 VanDerWaalsContact CE-CB 3.46Å; M590-S594 VanDerWaalsContact CE-O 3.23Å; M590-S594 WeakPolarHBondContact CE-O 3.37Å; M590-I595 HydrophobicContact CB-CD1 4.1Å; M590-I595 HydrophobicContact CB-CG1 3.74Å; M590-I595 HydrophobicContact CE-CG1 4.31Å; M590-F600 HydrophobicContact CE-CE1 3.97Å; M590-F600 HydrophobicContact CE-CZ 3.6Å; M590-W607 PolarHBondContact O-NE1 3.28Å; M590-W607 VanDerWaalsContact O-NE1 3.09Å; M590-M608 HydrophobicContact CG-CE 4.17Å
591	A	92.4	Very high	74.7	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.			trans	-70.3	151.8	171.7	0	0	0	0	0	112	E593 S594 I595 W607	A591-E593 VanDerWaalsContact C-N 3.3Å; A591-E593 VanDerWaalsContact CB-OE1 3.28Å; A591-E593 WeakPolarHBondContact CB-OE1 3.44Å; A591-E593 WeakPolarHBondContact CB-OE2 3.37Å; A591-E593 PolarHBondContact O-N 3.46Å; A591-S594 WeakPolarHBondContact O-CA 3.33Å; A591-S594 WeakPolarHBondContact O-CB 3.34Å; A591-S594 PolarHBondContact O-N 2.9Å; A591-I595 PolarHBondContact O-N 3.15Å; A591-W607 HydrophobicContact CB-CB 3.77Å; A591-W607 HydrophobicContact CB-CD2 4.15Å; A591-W607 HydrophobicContact CB-CG 3.69Å
592	P	87.8	Confident	77	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.006	16%	0.159	C	C	.	.	H	α-helix	trans	-56.3	-39.7	-177.9	-27.1	35.9	0	0	0	114.1	S594 I595 N596 W607 I633 I636 Y662	P592-S594 VanDerWaalsContact C-N 3.33Å; P592-I595 PolarHBondContact O-N 3.09Å; P592-N596 WeakPolarHBondContact O-CB 3.26Å; P592-N596 PolarHBondContact O-N 3.43Å; P592-W607 HydrophobicContact CG-CE3 4.49Å; P592-W607 HydrophobicContact CG-CH2 3.88Å; P592-W607 HydrophobicContact CG-CZ2 4.25Å; P592-W607 HydrophobicContact CG-CZ3 3.98Å; P592-I633 HydrophobicContact CB-CD1 4.12Å; P592-I636 HydrophobicContact CG-CG2 3.7Å; P592-Y662 HydrophobicContact CB-CD2 4.15Å; P592-Y662 HydrophobicContact CB-CE2 3.57Å; P592-Y662 HydrophobicContact CG-CD2 3.86Å; P592-Y662 HydrophobicContact CG-CE2 3.76Å
593	E	85.3	Confident	79.4	Confident	4 Å²	4	26.3 Å²	26.3	2%	0.019	14%	0.139	C	C	.	.	H	α-helix	trans	-70.5	-29	177.4	71.7	-75.1	-177.1	0	0	112.9	A591 F597 R598 R599 P664 R667	A591-E593 VanDerWaalsContact C-N 3.3Å; A591-E593 VanDerWaalsContact CB-OE1 3.28Å; A591-E593 WeakPolarHBondContact CB-OE1 3.44Å; A591-E593 WeakPolarHBondContact CB-OE2 3.37Å; A591-E593 PolarHBondContact O-N 3.46Å; E593-F597 HydrophobicContact CB-CD2 4.2Å; E593-F597 WeakPolarHBondContact O-CA 3.5Å; E593-F597 WeakPolarHBondContact O-CB 3.37Å; E593-F597 PolarHBondContact O-N 3.01Å; E593-R598 PolarHBondContact O-N 3.37Å; E593-R599 PolarHBondContact O-N 3.38Å; E593-P664 HydrophobicContact CB-CG 4.49Å; E593-P664 HydrophobicContact CG-CG 4.03Å; E593-R667 IonicContact OE1-CZ 3.8Å; E593-R667 IonicContact OE1-NH1 2.71Å; E593-R667 PolarHBondContact OE1-NH1 2.98Å; E593-R667 IonicContact OE1-NH2 3.27Å; E593-R667 PolarHBondContact OE1-NH2 3.32Å; E593-R667 IonicContact OE2-CZ 2.7Å; E593-R667 IonicContact OE2-NH1 3.01Å; E593-R667 PolarHBondContact OE2-NH1 2.84Å; E593-R667 IonicContact OE2-NH2 2.88Å; E593-R667 PolarHBondContact OE2-NH2 2.77Å
594	S	83.8	Confident	81.7	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-73.9	-30.3	173.4	-47.7	0	0	0	0	111.9	M590 A591 P592 R598 R599 S604	M590-S594 VanDerWaalsContact CE-C 3.44Å; M590-S594 VanDerWaalsContact CE-CB 3.46Å; M590-S594 VanDerWaalsContact CE-O 3.23Å; M590-S594 WeakPolarHBondContact CE-O 3.37Å; A591-S594 WeakPolarHBondContact O-CA 3.33Å; A591-S594 WeakPolarHBondContact O-CB 3.34Å; A591-S594 PolarHBondContact O-N 2.9Å; P592-S594 VanDerWaalsContact C-N 3.33Å; S594-R598 WeakPolarHBondContact O-CA 3.27Å; S594-R598 PolarHBondContact O-N 2.98Å; S594-R599 WeakPolarHBondContact CA-O 3.21Å; S594-R599 VanDerWaalsContact CB-O 3.24Å; S594-R599 WeakPolarHBondContact CB-O 3.34Å; S594-R599 PolarHBondContact OG-O 3.3Å; S594-S604 VanDerWaalsContact OG-CB 3.22Å; S594-S604 WeakPolarHBondContact OG-CB 3.41Å
595	I	77.5	Confident	83.8	Confident	9 Å²	9	14 Å²	14	5%	0.046	7%	0.073	C	C	.	.	H	α-helix	trans	-74.6	-56.9	173	-62.5	164.5	0	0	0	109.6	I587 M590 A591 P592 I633	I587-I595 HydrophobicContact CD1-CG1 4.4Å; I587-I595 HydrophobicContact CG2-CD1 4.08Å; I587-I595 HydrophobicContact CG2-CG1 4.48Å; M590-I595 HydrophobicContact CB-CD1 4.1Å; M590-I595 HydrophobicContact CB-CG1 3.74Å; M590-I595 HydrophobicContact CE-CG1 4.31Å; A591-I595 PolarHBondContact O-N 3.15Å; P592-I595 PolarHBondContact O-N 3.09Å; I595-I633 HydrophobicContact CB-CD1 4.27Å; I595-I633 HydrophobicContact CD1-CD1 4.1Å; I595-I633 HydrophobicContact CG2-CB 4.28Å; I595-I633 HydrophobicContact CG2-CD1 4.22Å; I595-I633 HydrophobicContact CG2-CG1 4.17Å
596	N	73.6	Confident	85.4	Confident	3 Å²	3	12.6 Å²	12.6	2%	0.016	7%	0.066	C	C	.	.	H	α-helix	trans	-69.6	-40.5	-172.7	-75	-25.7	0	0	0	113.5	Y181 M184 P592 E637	Y181-N596 WeakPolarHBondContact CD1-O 3.34Å; M184-N596 HydrophobicContact CB-CB 4.31Å; M184-N596 HydrophobicContact CG-CB 4.09Å; P592-N596 WeakPolarHBondContact O-CB 3.26Å; P592-N596 PolarHBondContact O-N 3.43Å; N596-E637 PolarHBondContact ND2-OE1 3.13Å
597	F	71.6	Confident	86.4	Confident	4 Å²	4	11.7 Å²	11.7	2%	0.018	6%	0.059	C	C	.	.	S	Bend	trans	-116.9	1.9	-171.4	-52.7	-68.9	0	0	0	114.1	Y181 M184 L189 N194 V197 L198 E593 R599	Y181-F597 HydrophobicContact CD1-CB 4.47Å; Y181-F597 AromaticContact CD1-CD1 3.96Å; Y181-F597 HydrophobicContact CD1-CD1 3.96Å; Y181-F597 HydrophobicContact CE1-CB 4.14Å; Y181-F597 HydrophobicContact CE1-CD1 4.01Å; Y181-F597 HydrophobicContact CG-CD1 4.27Å; M184-F597 HydrophobicContact SD-CD1 4.42Å; M184-F597 HydrophobicContact SD-CE1 3.45Å; M184-F597 WeakPolarHBondContact SD-CE1 3.33Å; M184-F597 HydrophobicContact SD-CZ 3.75Å; L189-F597 HydrophobicContact CD2-CE1 4.41Å; L189-F597 HydrophobicContact CD2-CZ 4.44Å; N194-F597 HydrophobicContact CB-CE2 4.01Å; N194-F597 HydrophobicContact CB-CZ 3.84Å; V197-F597 HydrophobicContact CB-CD2 4.27Å; V197-F597 HydrophobicContact CB-CE2 4.36Å; V197-F597 HydrophobicContact CG1-CB 4.17Å; V197-F597 HydrophobicContact CG1-CD1 4.5Å; V197-F597 HydrophobicContact CG1-CD2 3.8Å; V197-F597 HydrophobicContact CG1-CE2 4.36Å; V197-F597 HydrophobicContact CG1-CG 3.89Å; L198-F597 HydrophobicContact CD2-CD1 4.05Å; L198-F597 HydrophobicContact CD2-CE1 3.98Å; L198-F597 HydrophobicContact CG-CE1 4.23Å; E593-F597 HydrophobicContact CB-CD2 4.2Å; E593-F597 WeakPolarHBondContact O-CA 3.5Å; E593-F597 WeakPolarHBondContact O-CB 3.37Å; E593-F597 PolarHBondContact O-N 3.01Å; F597-R599 HydrophobicContact CB-CB 4.28Å; F597-R599 PolarHBondContact O-N 3.32Å; F597-R599 VanDerWaalsContact O-N 3.15Å
598	R	72.3	Confident	87.3	Confident	37 Å²	37	10.5 Å²	10.5	14%	0.14	5%	0.053	C	C	.	.			trans	54.2	24	-171.1	-57.4	-54.8	-167.2	96	-9.3	113.7	E183 K579 S581 E593 S594 F600	E183-R598 VanDerWaalsContact CD-NH2 3.3Å; E183-R598 IonicContact OE1-NH2 3.96Å; E183-R598 PolarHBondContact OE1-NH2 3.16Å; E183-R598 VanDerWaalsContact OE1-NH2 3.08Å; E183-R598 IonicContact OE2-CZ 3.59Å; E183-R598 IonicContact OE2-NE 3.58Å; E183-R598 PolarHBondContact OE2-NE 3.13Å; E183-R598 VanDerWaalsContact OE2-NE 3.07Å; E183-R598 IonicContact OE2-NH2 2.75Å; E183-R598 PolarHBondContact OE2-NH2 2.65Å; K579-R598 WeakPolarHBondContact CA-O 3.44Å; K579-R598 HydrophobicContact CG-CB 4.23Å; S581-R598 PolarHBondContact O-NH1 3.06Å; E593-R598 PolarHBondContact O-N 3.37Å; S594-R598 WeakPolarHBondContact O-CA 3.27Å; S594-R598 PolarHBondContact O-N 2.98Å; R598-F600 VanDerWaalsContact O-CD2 3.22Å; R598-F600 WeakPolarHBondContact O-CD2 3.36Å; R598-F600 WeakPolarHBondContact O-CE2 3.4Å
599	R	76.6	Confident	87.9	Confident	18 Å²	18	9 Å²	9	7%	0.068	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	127.1	-177.8	-177.1	-176.5	-176.7	84.1	1.5	111.4	D201 T576 Y577 E593 S594 F597 T601	D201-R599 IonicContact OD1-CZ 2.77Å; D201-R599 VanDerWaalsContact OD1-CZ 3.28Å; D201-R599 IonicContact OD1-NH1 3.43Å; D201-R599 PolarHBondContact OD1-NH1 2.92Å; D201-R599 IonicContact OD1-NH2 3.82Å; D201-R599 PolarHBondContact OD1-NH2 3.4Å; D201-R599 IonicContact OD2-CZ 3.05Å; D201-R599 IonicContact OD2-NE 2.82Å; D201-R599 IonicContact OD2-NH1 2.66Å; D201-R599 PolarHBondContact OD2-NH1 3.33Å; D201-R599 IonicContact OD2-NH2 3.78Å; D201-R599 PolarHBondContact OD2-NH2 2.97Å; D201-R599 VanDerWaalsContact OD2-NH2 3.09Å; T576-R599 PolarHBondContact O-NH2 3.15Å; T576-R599 PolarHBondContact OG1-NH2 3.07Å; T576-R599 VanDerWaalsContact OG1-NH2 3.12Å; Y577-R599 VanDerWaalsContact CB-CZ 3.45Å; Y577-R599 HydrophobicContact CD2-CB 4.33Å; Y577-R599 HydrophobicContact CD2-CG 3.8Å; Y577-R599 HydrophobicContact CG-CG 4.02Å; E593-R599 PolarHBondContact O-N 3.38Å; S594-R599 WeakPolarHBondContact CA-O 3.21Å; S594-R599 VanDerWaalsContact CB-O 3.24Å; S594-R599 WeakPolarHBondContact CB-O 3.34Å; S594-R599 PolarHBondContact OG-O 3.3Å; F597-R599 HydrophobicContact CB-CB 4.28Å; F597-R599 PolarHBondContact O-N 3.32Å; F597-R599 VanDerWaalsContact O-N 3.15Å; R599-T601 HydrophobicContact CG-CG2 4.2Å
600	F	81.8	Confident	88.2	Confident	2 Å²	2	7.5 Å²	7.5	1%	0.009	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.9	173.6	-61.4	-99.7	0	0	0	111.1	V544 R546 Y577 Y578 A580 M590 R598 S604 M608	V544-F600 HydrophobicContact CG1-CB 4.22Å; R546-F600 HydrophobicContact CB-CD1 3.66Å; R546-F600 HydrophobicContact CB-CE1 4.05Å; R546-F600 HydrophobicContact CB-CG 4.33Å; R546-F600 HydrophobicContact CG-CB 3.82Å; R546-F600 HydrophobicContact CG-CD1 3.72Å; R546-F600 HydrophobicContact CG-CG 3.91Å; Y577-F600 WeakPolarHBondContact CA-O 3.42Å; Y578-F600 HydrophobicContact CD1-CD2 4.22Å; Y578-F600 PolarHBondContact N-O 3.01Å; Y578-F600 VanDerWaalsContact N-O 3.12Å; Y578-F600 PolarHBondContact O-N 2.98Å; A580-F600 HydrophobicContact CB-CD2 4.23Å; A580-F600 HydrophobicContact CB-CE2 3.51Å; A580-F600 HydrophobicContact CB-CZ 4.2Å; M590-F600 HydrophobicContact CE-CE1 3.97Å; M590-F600 HydrophobicContact CE-CZ 3.6Å; R598-F600 VanDerWaalsContact O-CD2 3.22Å; R598-F600 WeakPolarHBondContact O-CD2 3.36Å; R598-F600 WeakPolarHBondContact O-CE2 3.4Å; F600-S604 WeakPolarHBondContact CA-OG 3.15Å; F600-M608 HydrophobicContact CD1-CE 4.07Å; F600-M608 HydrophobicContact CE1-CE 3.93Å
601	T	87.9	Confident	88.7	Confident	18 Å²	18	7.5 Å²	7.5	11%	0.11	4%	0.041	C	C	.	.			trans	-152.5	172.9	-177.7	66.5	0	0	0	0	110.4	T576 R599 A603 S604 D605	T576-T601 WeakPolarHBondContact O-CG2 3.18Å; R599-T601 HydrophobicContact CG-CG2 4.2Å; T601-A603 PolarHBondContact O-N 3.45Å; T601-A603 VanDerWaalsContact O-N 3.13Å; T601-A603 PolarHBondContact OG1-N 3.03Å; T601-S604 PolarHBondContact N-OG 2.9Å; T601-S604 PolarHBondContact O-N 2.93Å; T601-S604 PolarHBondContact O-OG 3.31Å; T601-S604 PolarHBondContact OG1-N 3.09Å; T601-D605 PolarHBondContact O-N 3.04Å; T601-D605 VanDerWaalsContact O-N 3.09Å
602	S	93.7	Very high	89	Confident	23 Å²	23	7.5 Å²	7.5	16%	0.161	4%	0.041	C	C	.	.	H	α-helix	trans	-53.5	-32.7	170.3	-41.5	0	0	0	0	112.9	D605 V606	S602-D605 PolarHBondContact O-N 2.99Å; S602-V606 WeakPolarHBondContact O-CG2 3.23Å; S602-V606 PolarHBondContact O-N 3.31Å
603	A	96	Very high	89.5	Confident	24 Å²	24	7.5 Å²	7.5	20%	0.198	4%	0.041	C	C	.	.	H	α-helix	trans	-71.8	-31	177.7	0	0	0	0	0	113.1	T601 W607 P664 R667	T601-A603 PolarHBondContact O-N 3.45Å; T601-A603 VanDerWaalsContact O-N 3.13Å; T601-A603 PolarHBondContact OG1-N 3.03Å; A603-W607 PolarHBondContact O-N 3.09Å; A603-P664 HydrophobicContact CB-CB 3.94Å; A603-R667 VanDerWaalsContact O-CD 3.29Å; A603-R667 WeakPolarHBondContact O-CD 3.49Å; A603-R667 PolarHBondContact O-NH1 3.37Å
604	S	94.8	Very high	90.2	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-73.2	-34.5	171.2	63.1	0	0	0	0	111.6	S594 F600 T601 W607 M608	S594-S604 VanDerWaalsContact OG-CB 3.22Å; S594-S604 WeakPolarHBondContact OG-CB 3.41Å; F600-S604 WeakPolarHBondContact CA-OG 3.15Å; T601-S604 PolarHBondContact N-OG 2.9Å; T601-S604 PolarHBondContact O-N 2.93Å; T601-S604 PolarHBondContact O-OG 3.31Å; T601-S604 PolarHBondContact OG1-N 3.09Å; S604-W607 WeakPolarHBondContact O-CB 3.24Å; S604-W607 PolarHBondContact O-N 3.09Å; S604-M608 WeakPolarHBondContact O-CG 3.45Å; S604-M608 PolarHBondContact O-N 3.42Å
605	D	97.1	Very high	90.9	Very high	4 Å²	4	7.8 Å²	7.8	2%	0.021	4%	0.042	C	C	.	.	H	α-helix	trans	-65.5	-38.9	173.7	-81.5	6.9	0	0	0	111.4	V544 H545 R546 I548 T601 S602 W607 M608 F609 F670	V544-D605 WeakPolarHBondContact CA-OD2 3.49Å; V544-D605 WeakPolarHBondContact CG1-OD1 3.43Å; V544-D605 WeakPolarHBondContact CG1-OD2 3.48Å; H545-D605 PolarHBondContact N-OD2 2.97Å; R546-D605 PolarHBondContact N-OD1 2.68Å; I548-D605 HydrophobicContact CD1-CB 3.52Å; T601-D605 PolarHBondContact O-N 3.04Å; T601-D605 VanDerWaalsContact O-N 3.09Å; S602-D605 PolarHBondContact O-N 2.99Å; D605-W607 VanDerWaalsContact C-N 3.3Å; D605-W607 PolarHBondContact O-N 3.45Å; D605-M608 PolarHBondContact O-N 2.9Å; D605-F609 WeakPolarHBondContact O-CB 3.1Å; D605-F609 PolarHBondContact O-N 3.49Å; D605-F670 HydrophobicContact CB-CE2 3.94Å; D605-F670 HydrophobicContact CB-CZ 3.99Å
606	V	98.7	Very high	91.8	Very high	2 Å²	2	7.3 Å²	7.3	1%	0.012	4%	0.04	C	C	.	.	H	α-helix	trans	-58.7	-40.6	172.2	164.9	0	0	0	0	111.8	S602 F609 G610 C659 R667 P668 F670 L673	S602-V606 WeakPolarHBondContact O-CG2 3.23Å; S602-V606 PolarHBondContact O-N 3.31Å; V606-F609 PolarHBondContact O-N 3.06Å; V606-G610 PolarHBondContact O-N 3.02Å; V606-C659 HydrophobicContact CG1-CB 3.96Å; V606-R667 HydrophobicContact CG1-CB 3.9Å; V606-P668 WeakPolarHBondContact CG2-O 3.36Å; V606-F670 HydrophobicContact CB-CZ 4.32Å; V606-F670 HydrophobicContact CG2-CD1 4.25Å; V606-F670 HydrophobicContact CG2-CD2 3.95Å; V606-F670 HydrophobicContact CG2-CE1 3.96Å; V606-F670 HydrophobicContact CG2-CE2 3.66Å; V606-F670 HydrophobicContact CG2-CG 4.25Å; V606-F670 HydrophobicContact CG2-CZ 3.67Å; V606-L673 HydrophobicContact CG1-CD1 4.02Å; V606-L673 HydrophobicContact CG2-CD1 4.16Å
607	W	98.5	Very high	93	Very high	7 Å²	7	7.6 Å²	7.6	3%	0.027	4%	0.041	C	C	.	.	H	α-helix	trans	-62.5	-48.1	174.7	174.8	-71.7	0	0	0	111.5	W589 M590 A591 P592 A603 S604 D605 F609 G610 V611 I636 W660	W589-W607 VanDerWaalsContact O-CD1 3.28Å; M590-W607 PolarHBondContact O-NE1 3.28Å; M590-W607 VanDerWaalsContact O-NE1 3.09Å; A591-W607 HydrophobicContact CB-CB 3.77Å; A591-W607 HydrophobicContact CB-CD2 4.15Å; A591-W607 HydrophobicContact CB-CG 3.69Å; P592-W607 HydrophobicContact CG-CE3 4.49Å; P592-W607 HydrophobicContact CG-CH2 3.88Å; P592-W607 HydrophobicContact CG-CZ2 4.25Å; P592-W607 HydrophobicContact CG-CZ3 3.98Å; A603-W607 PolarHBondContact O-N 3.09Å; S604-W607 WeakPolarHBondContact O-CB 3.24Å; S604-W607 PolarHBondContact O-N 3.09Å; D605-W607 VanDerWaalsContact C-N 3.3Å; D605-W607 PolarHBondContact O-N 3.45Å; W607-F609 VanDerWaalsContact C-N 3.32Å; W607-F609 PolarHBondContact O-N 3.18Å; W607-G610 WeakPolarHBondContact O-CA 3.49Å; W607-G610 PolarHBondContact O-N 2.83Å; W607-G610 VanDerWaalsContact O-N 3.13Å; W607-V611 PolarHBondContact O-N 3.35Å; W607-V611 VanDerWaalsContact O-N 3.08Å; W607-I636 HydrophobicContact CH2-CG2 3.52Å; W607-I636 HydrophobicContact CZ2-CD1 4.04Å; W607-I636 HydrophobicContact CZ2-CG1 4.37Å; W607-I636 HydrophobicContact CZ2-CG2 3.87Å; W607-W660 AromaticContact CD2-CD1 3.98Å; W607-W660 HydrophobicContact CE3-CB 4.22Å; W607-W660 HydrophobicContact CH2-CB 4.09Å; W607-W660 HydrophobicContact CZ3-CB 3.92Å; W607-W660 VanDerWaalsContact CZ3-O 3.27Å; W607-W660 WeakPolarHBondContact CZ3-O 3.33Å
608	M	98.3	Very high	94.2	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-61.7	-40.2	178.1	-66.4	175.1	-168.1	0	0	111.5	R546 I548 W589 M590 F600 S604 D605 G610 V611 C612	R546-M608 VanDerWaalsContact C-SD 3.54Å; R546-M608 WeakPolarHBondContact O-CE 3.33Å; I548-M608 HydrophobicContact CB-CB 3.87Å; W589-M608 WeakPolarHBondContact O-CG 3.36Å; M590-M608 HydrophobicContact CG-CE 4.17Å; F600-M608 HydrophobicContact CD1-CE 4.07Å; F600-M608 HydrophobicContact CE1-CE 3.93Å; S604-M608 WeakPolarHBondContact O-CG 3.45Å; S604-M608 PolarHBondContact O-N 3.42Å; D605-M608 PolarHBondContact O-N 2.9Å; M608-G610 VanDerWaalsContact C-N 3.35Å; M608-G610 PolarHBondContact O-N 2.88Å; M608-V611 CarbonylContact O-C 3.57Å; M608-V611 WeakPolarHBondContact O-CA 3.17Å; M608-V611 WeakPolarHBondContact O-CB 3.48Å; M608-V611 PolarHBondContact O-N 2.65Å; M608-V611 VanDerWaalsContact O-N 3.11Å; M608-C612 PolarHBondContact O-N 3.26Å
609	F	98.8	Very high	95.4	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-62.4	-39.2	173	176.2	-111.1	0	0	0	112.3	A528 L531 L535 I548 D605 V606 W607 V611 C612 M613 F670 L673 L677	A528-F609 WeakPolarHBondContact O-CZ 3.22Å; L531-F609 HydrophobicContact CB-CD2 4.49Å; L531-F609 HydrophobicContact CB-CE2 3.82Å; L535-F609 HydrophobicContact CD1-CB 3.98Å; L535-F609 HydrophobicContact CD1-CD2 3.38Å; L535-F609 HydrophobicContact CD1-CE2 4.04Å; L535-F609 HydrophobicContact CD1-CG 3.78Å; I548-F609 HydrophobicContact CG2-CB 4.32Å; D605-F609 WeakPolarHBondContact O-CB 3.1Å; D605-F609 PolarHBondContact O-N 3.49Å; V606-F609 PolarHBondContact O-N 3.06Å; W607-F609 VanDerWaalsContact C-N 3.32Å; W607-F609 PolarHBondContact O-N 3.18Å; F609-V611 VanDerWaalsContact C-N 3.3Å; F609-V611 PolarHBondContact O-N 3.34Å; F609-C612 CarbonylContact O-C 3.55Å; F609-C612 WeakPolarHBondContact O-CB 3.29Å; F609-C612 PolarHBondContact O-N 2.97Å; F609-C612 VanDerWaalsContact O-N 3.12Å; F609-M613 HydrophobicContact CD1-CE 3.76Å; F609-M613 HydrophobicContact CD1-CG 4.37Å; F609-M613 HydrophobicContact CD1-SD 4.24Å; F609-M613 HydrophobicContact CD2-CG 4.41Å; F609-M613 HydrophobicContact CE1-CE 3.53Å; F609-M613 HydrophobicContact CE1-CG 3.91Å; F609-M613 HydrophobicContact CE1-SD 3.48Å; F609-M613 WeakPolarHBondContact CE1-SD 3.41Å; F609-M613 HydrophobicContact CE2-CG 3.94Å; F609-M613 HydrophobicContact CE2-SD 4.49Å; F609-M613 HydrophobicContact CZ-CE 4.26Å; F609-M613 HydrophobicContact CZ-CG 3.67Å; F609-M613 HydrophobicContact CZ-SD 3.63Å; F609-M613 WeakPolarHBondContact O-CG 3.46Å; F609-M613 PolarHBondContact O-N 2.66Å; F609-F670 HydrophobicContact CB-CE1 3.69Å; F609-F670 HydrophobicContact CB-CZ 4.11Å; F609-F670 HydrophobicContact CD1-CD1 4.36Å; F609-F670 AromaticContact CD1-CE1 3.8Å; F609-F670 HydrophobicContact CD1-CE1 3.8Å; F609-F670 AromaticContact CG-CE1 3.75Å; F609-F670 HydrophobicContact CG-CE1 3.75Å; F609-L673 HydrophobicContact CD1-CD1 3.92Å; F609-L673 HydrophobicContact CE1-CB 4.47Å; F609-L673 HydrophobicContact CE1-CD1 4.12Å; F609-L677 HydrophobicContact CE1-CD1 4.06Å; F609-L677 HydrophobicContact CZ-CD1 3.81Å
610	G	98.6	Very high	96.1	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-56.3	-43.4	169.8	0	0	0	0	0	112.5	V606 W607 M608 W614 W660	V606-G610 PolarHBondContact O-N 3.02Å; W607-G610 WeakPolarHBondContact O-CA 3.49Å; W607-G610 PolarHBondContact O-N 2.83Å; W607-G610 VanDerWaalsContact O-N 3.13Å; M608-G610 VanDerWaalsContact C-N 3.35Å; M608-G610 PolarHBondContact O-N 2.88Å; G610-W614 PolarHBondContact O-N 2.76Å; G610-W660 VanDerWaalsContact O-CZ2 3.28Å; G610-W660 WeakPolarHBondContact O-CZ2 3.48Å
611	V	98.4	Very high	96.7	Very high	2 Å²	2	11 Å²	11	1%	0.012	6%	0.063	C	C	.	.	H	α-helix	trans	-66.3	-39.8	173.7	-178.3	0	0	0	0	111.5	W589 W607 M608 F609 W614 E615 P623 L642	W589-V611 HydrophobicContact CG-CG1 4.19Å; W607-V611 PolarHBondContact O-N 3.35Å; W607-V611 VanDerWaalsContact O-N 3.08Å; M608-V611 CarbonylContact O-C 3.57Å; M608-V611 WeakPolarHBondContact O-CA 3.17Å; M608-V611 WeakPolarHBondContact O-CB 3.48Å; M608-V611 PolarHBondContact O-N 2.65Å; M608-V611 VanDerWaalsContact O-N 3.11Å; F609-V611 VanDerWaalsContact C-N 3.3Å; F609-V611 PolarHBondContact O-N 3.34Å; V611-W614 WeakPolarHBondContact O-CB 3.42Å; V611-W614 PolarHBondContact O-N 3.16Å; V611-E615 PolarHBondContact O-N 3.08Å; V611-P623 HydrophobicContact CG1-CB 3.81Å; V611-P623 HydrophobicContact CG1-CG 3.79Å; V611-L642 HydrophobicContact CG1-CD1 4.12Å; V611-L642 HydrophobicContact CG2-CD1 4.31Å
612	C	98.5	Very high	96.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-65.1	-40	177.4	-169.5	0	0	0	0	112.4	I548 M608 F609 W614 E615 I616	I548-C612 HydrophobicContact CG2-CB 4.08Å; M608-C612 PolarHBondContact O-N 3.26Å; F609-C612 CarbonylContact O-C 3.55Å; F609-C612 WeakPolarHBondContact O-CB 3.29Å; F609-C612 PolarHBondContact O-N 2.97Å; F609-C612 VanDerWaalsContact O-N 3.12Å; C612-W614 VanDerWaalsContact C-N 3.29Å; C612-W614 PolarHBondContact O-N 2.94Å; C612-E615 PolarHBondContact O-N 3.32Å; C612-I616 VanDerWaalsContact O-CG1 3.28Å; C612-I616 WeakPolarHBondContact O-CG1 3.41Å; C612-I616 PolarHBondContact O-N 2.96Å
613	M	98.7	Very high	96.5	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.6	-40.3	171.9	-71.1	-168.2	-73.6	0	0	111.2	A528 F609 I616 L617 M656 L677	A528-M613 HydrophobicContact CB-CG 3.99Å; A528-M613 HydrophobicContact CB-SD 4.3Å; F609-M613 HydrophobicContact CD1-CE 3.76Å; F609-M613 HydrophobicContact CD1-CG 4.37Å; F609-M613 HydrophobicContact CD1-SD 4.24Å; F609-M613 HydrophobicContact CD2-CG 4.41Å; F609-M613 HydrophobicContact CE1-CE 3.53Å; F609-M613 HydrophobicContact CE1-CG 3.91Å; F609-M613 HydrophobicContact CE1-SD 3.48Å; F609-M613 WeakPolarHBondContact CE1-SD 3.41Å; F609-M613 HydrophobicContact CE2-CG 3.94Å; F609-M613 HydrophobicContact CE2-SD 4.49Å; F609-M613 HydrophobicContact CZ-CE 4.26Å; F609-M613 HydrophobicContact CZ-CG 3.67Å; F609-M613 HydrophobicContact CZ-SD 3.63Å; F609-M613 WeakPolarHBondContact O-CG 3.46Å; F609-M613 PolarHBondContact O-N 2.66Å; M613-I616 PolarHBondContact O-N 3.42Å; M613-L617 WeakPolarHBondContact O-CD2 3.47Å; M613-L617 PolarHBondContact O-N 2.92Å; M613-M656 HydrophobicContact CB-CE 3.92Å; M613-M656 HydrophobicContact CB-CG 4.25Å; M613-M656 HydrophobicContact CB-SD 4.35Å; M613-M656 HydrophobicContact CE-CG 4.17Å; M613-L677 HydrophobicContact SD-CD1 4.11Å; M613-L677 HydrophobicContact SD-CD2 4.18Å
614	W	98.6	Very high	96.1	Very high	10 Å²	10	14.4 Å²	14.4	4%	0.038	7%	0.069	C	C	.	.	H	α-helix	trans	-64.7	-42	173.7	-176.3	92.5	0	0	0	112.3	G610 V611 C612 I616 L617 M618 V621 P623 L642 P643 P645 M656 W660	G610-W614 PolarHBondContact O-N 2.76Å; V611-W614 WeakPolarHBondContact O-CB 3.42Å; V611-W614 PolarHBondContact O-N 3.16Å; C612-W614 VanDerWaalsContact C-N 3.29Å; C612-W614 PolarHBondContact O-N 2.94Å; W614-I616 VanDerWaalsContact C-N 3.31Å; W614-I616 PolarHBondContact O-N 2.62Å; W614-L617 PolarHBondContact O-N 2.9Å; W614-M618 HydrophobicContact CD2-CG 3.75Å; W614-M618 VanDerWaalsContact CE2-CG 3.49Å; W614-M618 HydrophobicContact CE3-CB 4.37Å; W614-M618 HydrophobicContact CE3-CG 4.06Å; W614-M618 HydrophobicContact CG-CG 4.34Å; W614-M618 HydrophobicContact CH2-CB 4.37Å; W614-M618 HydrophobicContact CH2-CE 4.12Å; W614-M618 HydrophobicContact CH2-CG 3.93Å; W614-M618 HydrophobicContact CZ2-CE 3.89Å; W614-M618 HydrophobicContact CZ2-CG 3.62Å; W614-M618 HydrophobicContact CZ2-SD 4.15Å; W614-M618 HydrophobicContact CZ3-CB 4.27Å; W614-M618 HydrophobicContact CZ3-CG 4.12Å; W614-M618 VanDerWaalsContact O-CB 3.25Å; W614-M618 WeakPolarHBondContact O-CB 3.31Å; W614-M618 VanDerWaalsContact O-CG 3.26Å; W614-M618 WeakPolarHBondContact O-CG 3.22Å; W614-M618 PolarHBondContact O-N 3Å; W614-V621 HydrophobicContact CH2-CG1 4.25Å; W614-P623 HydrophobicContact CE3-CB 4.36Å; W614-P623 HydrophobicContact CZ3-CB 4.14Å; W614-L642 HydrophobicContact CB-CD1 4.35Å; W614-L642 HydrophobicContact CD2-CB 4.08Å; W614-L642 HydrophobicContact CD2-CD1 3.82Å; W614-L642 HydrophobicContact CD2-CG 4.36Å; W614-L642 HydrophobicContact CE3-CD1 4.02Å; W614-L642 HydrophobicContact CG-CB 4.09Å; W614-L642 HydrophobicContact CG-CD1 3.98Å; W614-L642 HydrophobicContact CH2-CD2 4.31Å; W614-L642 HydrophobicContact CZ2-CB 4.34Å; W614-L642 HydrophobicContact CZ2-CD2 4.17Å; W614-P643 HydrophobicContact CZ2-CG 4.48Å; W614-P643 PolarHBondContact NE1-O 3.26Å; W614-P645 HydrophobicContact CG-CG 4.47Å; W614-M656 HydrophobicContact CB-SD 4.03Å; W614-W660 HydrophobicContact CB-CH2 3.99Å; W614-W660 HydrophobicContact CB-CZ2 3.9Å; W614-W660 AromaticContact CD1-CH2 3.91Å; W614-W660 HydrophobicContact CG-CH2 4.14Å; W614-W660 HydrophobicContact CG-CZ2 4.42Å
615	E	98.1	Very high	95.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60	-40.2	174.3	-72.9	-170.4	115.4	0	0	112.2	A550 W589 V611 C612 M618 H619 G620	A550-E615 HydrophobicContact CB-CB 3.98Å; A550-E615 PolarHBondContact N-OE2 2.87Å; W589-E615 VanDerWaalsContact CZ2-OE1 3.31Å; W589-E615 WeakPolarHBondContact CZ2-OE1 3.37Å; W589-E615 PolarHBondContact NE1-OE1 2.82Å; W589-E615 VanDerWaalsContact NE1-OE1 3.17Å; W589-E615 PolarHBondContact NE1-OE2 2.94Å; V611-E615 PolarHBondContact O-N 3.08Å; C612-E615 PolarHBondContact O-N 3.32Å; E615-M618 CarbonylContact O-C 3.56Å; E615-M618 PolarHBondContact O-N 2.83Å; E615-H619 PolarHBondContact O-N 2.78Å; E615-G620 PolarHBondContact O-N 3.44Å
616	I	98.3	Very high	94.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.2	-52.8	177.3	-68	165.3	0	0	0	110.2	L508 L512 L524 Y527 L531 C612 M613 W614 M618 H619	L508-I616 HydrophobicContact CD2-CD1 4.13Å; L508-I616 HydrophobicContact CD2-CG1 4Å; L512-I616 HydrophobicContact CD1-CG1 4.34Å; L524-I616 HydrophobicContact CB-CG2 3.98Å; L524-I616 HydrophobicContact CD2-CG2 3.93Å; L524-I616 WeakPolarHBondContact O-CG2 3.35Å; Y527-I616 HydrophobicContact CD2-CG2 4.37Å; L531-I616 HydrophobicContact CD1-CD1 3.81Å; C612-I616 VanDerWaalsContact O-CG1 3.28Å; C612-I616 WeakPolarHBondContact O-CG1 3.41Å; C612-I616 PolarHBondContact O-N 2.96Å; M613-I616 PolarHBondContact O-N 3.42Å; W614-I616 VanDerWaalsContact C-N 3.31Å; W614-I616 PolarHBondContact O-N 2.62Å; I616-M618 PolarHBondContact O-N 3.44Å; I616-H619 PolarHBondContact O-N 3.12Å
617	L	98.1	Very high	93.9	Very high	9 Å²	9	25.8 Å²	25.8	5%	0.047	15%	0.145	C	C	.	.	H	α-helix	trans	-66.6	-23	179.8	-87.3	-75.8	0	0	0	113.3	L521 L524 M613 W614 H619 P645 C648 L652 M656	L521-L617 HydrophobicContact CD1-CD1 3.64Å; L524-L617 HydrophobicContact CB-CD2 4.18Å; M613-L617 WeakPolarHBondContact O-CD2 3.47Å; M613-L617 PolarHBondContact O-N 2.92Å; W614-L617 PolarHBondContact O-N 2.9Å; L617-H619 VanDerWaalsContact C-N 3.35Å; L617-P645 HydrophobicContact CB-CB 3.87Å; L617-P645 HydrophobicContact CB-CG 3.76Å; L617-C648 HydrophobicContact CD1-CB 4.43Å; L617-L652 HydrophobicContact CD1-CD2 4.07Å; L617-L652 HydrophobicContact CD2-CD2 4.02Å; L617-L652 HydrophobicContact CG-CD2 4.02Å; L617-M656 HydrophobicContact CB-CE 4.25Å; L617-M656 HydrophobicContact CD2-CE 4.29Å; L617-M656 HydrophobicContact CG-CE 3.87Å
618	M	96.8	Very high	92.7	Very high	45 Å²	45	33 Å²	33	22%	0.222	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	11.8	173.2	-68.3	-72	-64.6	0	0	113.5	W614 E615 I616 G620 V621 P645	W614-M618 HydrophobicContact CD2-CG 3.75Å; W614-M618 VanDerWaalsContact CE2-CG 3.49Å; W614-M618 HydrophobicContact CE3-CB 4.37Å; W614-M618 HydrophobicContact CE3-CG 4.06Å; W614-M618 HydrophobicContact CG-CG 4.34Å; W614-M618 HydrophobicContact CH2-CB 4.37Å; W614-M618 HydrophobicContact CH2-CE 4.12Å; W614-M618 HydrophobicContact CH2-CG 3.93Å; W614-M618 HydrophobicContact CZ2-CE 3.89Å; W614-M618 HydrophobicContact CZ2-CG 3.62Å; W614-M618 HydrophobicContact CZ2-SD 4.15Å; W614-M618 HydrophobicContact CZ3-CB 4.27Å; W614-M618 HydrophobicContact CZ3-CG 4.12Å; W614-M618 VanDerWaalsContact O-CB 3.25Å; W614-M618 WeakPolarHBondContact O-CB 3.31Å; W614-M618 VanDerWaalsContact O-CG 3.26Å; W614-M618 WeakPolarHBondContact O-CG 3.22Å; W614-M618 PolarHBondContact O-N 3Å; E615-M618 CarbonylContact O-C 3.56Å; E615-M618 PolarHBondContact O-N 2.83Å; I616-M618 PolarHBondContact O-N 3.44Å; M618-G620 VanDerWaalsContact C-N 3.35Å; M618-G620 PolarHBondContact O-N 3.09Å; M618-V621 HydrophobicContact CB-CB 4.09Å; M618-V621 HydrophobicContact CE-CG1 4.45Å; M618-V621 VanDerWaalsContact O-CG2 3.27Å; M618-V621 WeakPolarHBondContact O-CG2 3.28Å; M618-V621 PolarHBondContact O-N 3.33Å; M618-P645 HydrophobicContact CG-CB 4Å; M618-P645 HydrophobicContact CG-CG 3.97Å; M618-P645 HydrophobicContact SD-CB 3.67Å; M618-P645 HydrophobicContact SD-CG 4.14Å
619	H	96.6	Very high	91.5	Very high	39 Å²	39	36.2 Å²	36.2	18%	0.181	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	44.8	177.9	-53.8	179.1	0	0	0	113.4	Q513 K516 L524 E615 I616 L617	Q513-H619 VanDerWaalsContact CG-O 3.29Å; Q513-H619 WeakPolarHBondContact CG-O 3.48Å; K516-H619 HydrophobicContact CB-CB 4.5Å; K516-H619 WeakPolarHBondContact CG-ND1 3.44Å; K516-H619 PolarHBondContact O-CE1 2.82Å; K516-H619 PolarHBondContact O-ND1 2.97Å; L524-H619 WeakPolarHBondContact CD1-NE2 3.24Å; E615-H619 PolarHBondContact O-N 2.78Å; I616-H619 PolarHBondContact O-N 3.12Å; L617-H619 VanDerWaalsContact C-N 3.35Å
620	G	93.2	Very high	90.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	10.5	173.6	0	0	0	0	0	116	R509 Q513 E615 M618	R509-G620 PolarHBondContact NE-O 2.79Å; R509-G620 PolarHBondContact NH2-O 2.89Å; Q513-G620 PolarHBondContact NE2-O 3.11Å; E615-G620 PolarHBondContact O-N 3.44Å; M618-G620 VanDerWaalsContact C-N 3.35Å; M618-G620 PolarHBondContact O-N 3.09Å
621	V	93	Very high	89.1	Confident	48 Å²	48	46 Å²	46	29%	0.291	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-61.8	139.8	169.3	171.6	0	0	0	0	110.1	W614 M618	W614-V621 HydrophobicContact CH2-CG1 4.25Å; M618-V621 HydrophobicContact CB-CB 4.09Å; M618-V621 HydrophobicContact CE-CG1 4.45Å; M618-V621 VanDerWaalsContact O-CG2 3.27Å; M618-V621 WeakPolarHBondContact O-CG2 3.28Å; M618-V621 PolarHBondContact O-N 3.33Å
622	K	88.1	Confident	88.1	Confident	111 Å²	111	45.9 Å²	45.9	48%	0.483	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-71.7	135.8	-179	-64.3	-178.1	-179.9	175	0	110.5
623	P	90.5	Very high	87.2	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	145.4	173.4	27.2	-34.9	0	0	0	110.6	K588 W589 V611 W614 Q625 L642	K588-P623 HydrophobicContact CB-CG 4.11Å; K588-P623 VanDerWaalsContact CD-O 3.25Å; K588-P623 WeakPolarHBondContact CD-O 3.18Å; W589-P623 HydrophobicContact CD2-CG 3.93Å; W589-P623 HydrophobicContact CE3-CG 4.42Å; W589-P623 HydrophobicContact CG-CG 4.42Å; W589-P623 HydrophobicContact CH2-CG 4.23Å; W589-P623 VanDerWaalsContact CZ2-CD 3.49Å; W589-P623 HydrophobicContact CZ2-CG 3.74Å; V611-P623 HydrophobicContact CG1-CB 3.81Å; V611-P623 HydrophobicContact CG1-CG 3.79Å; W614-P623 HydrophobicContact CE3-CB 4.36Å; W614-P623 HydrophobicContact CZ3-CB 4.14Å; P623-Q625 VanDerWaalsContact C-N 3.31Å; P623-Q625 PolarHBondContact O-N 2.99Å; P623-L642 HydrophobicContact CB-CD1 3.88Å; P623-L642 HydrophobicContact CB-CD2 3.99Å
624	F	87.6	Confident	86.1	Confident	26 Å²	26	46.5 Å²	46.5	11%	0.114	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	48.9	-177.5	-52.5	-82.9	0	0	0	113.3	K588 V627 V632 I636 L642	K588-F624 HydrophobicContact CB-CD2 4.3Å; K588-F624 HydrophobicContact CD-CB 4.27Å; K588-F624 PolarHBondContact NZ-O 2.89Å; F624-V627 HydrophobicContact CB-CB 3.99Å; F624-V627 HydrophobicContact CB-CG2 3.99Å; F624-V627 WeakPolarHBondContact O-CB 3.41Å; F624-V627 PolarHBondContact O-N 2.58Å; F624-V632 HydrophobicContact CB-CG2 4.1Å; F624-V632 HydrophobicContact CD2-CG1 3.92Å; F624-V632 HydrophobicContact CD2-CG2 4.46Å; F624-V632 HydrophobicContact CE2-CG1 3.96Å; F624-V632 HydrophobicContact CG-CG1 4.3Å; F624-V632 HydrophobicContact CG-CG2 4.23Å; F624-V632 HydrophobicContact CZ-CG1 4.36Å; F624-I636 HydrophobicContact CE2-CD1 4.32Å; F624-I636 HydrophobicContact CZ-CD1 4.1Å; F624-I636 HydrophobicContact CZ-CG1 3.97Å; F624-L642 HydrophobicContact CD1-CD2 4.01Å; F624-L642 HydrophobicContact CD2-CD2 3.89Å; F624-L642 HydrophobicContact CE1-CD2 3.99Å; F624-L642 HydrophobicContact CE1-CG 4.39Å; F624-L642 HydrophobicContact CE2-CD1 4.4Å; F624-L642 HydrophobicContact CE2-CD2 3.86Å; F624-L642 HydrophobicContact CE2-CG 4.05Å; F624-L642 HydrophobicContact CG-CD2 3.97Å; F624-L642 HydrophobicContact CZ-CD2 3.91Å; F624-L642 HydrophobicContact CZ-CG 3.96Å
625	Q	84.9	Confident	85.7	Confident	144 Å²	144	50.7 Å²	50.7	67%	0.673	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	142.2	173.8	-173.6	169.3	-8	0	0	110.9	P623 V627	P623-Q625 VanDerWaalsContact C-N 3.31Å; P623-Q625 PolarHBondContact O-N 2.99Å; Q625-V627 PolarHBondContact O-N 2.99Å; Q625-V627 VanDerWaalsContact O-N 3.07Å
626	G	79.6	Confident	85.2	Confident	82 Å²	82	50.8 Å²	50.8	85%	0.845	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	-18.9	-174.6	0	0	0	0	0	116.1
627	V	78.9	Confident	84.6	Confident	19 Å²	19	51.7 Å²	51.7	12%	0.115	27%	0.27	C	S	.	.			trans	-83.3	138.7	-179.3	-171	0	0	0	0	111.4	K588 F624 Q625 D631 V632	K588-V627 VanDerWaalsContact CE-O 3.27Å; K588-V627 WeakPolarHBondContact CE-O 3.37Å; K588-V627 PolarHBondContact NZ-O 3.39Å; F624-V627 HydrophobicContact CB-CB 3.99Å; F624-V627 HydrophobicContact CB-CG2 3.99Å; F624-V627 WeakPolarHBondContact O-CB 3.41Å; F624-V627 PolarHBondContact O-N 2.58Å; Q625-V627 PolarHBondContact O-N 2.99Å; Q625-V627 VanDerWaalsContact O-N 3.07Å; V627-D631 HydrophobicContact CG1-CB 3.81Å; V627-V632 HydrophobicContact CB-CG2 4.28Å; V627-V632 HydrophobicContact CG1-CG2 3.73Å
628	K	73.3	Confident	84.2	Confident	157 Å²	157	57.4 Å²	57.4	68%	0.683	30%	0.3	S	S	*	.			trans	-78.8	147.8	173.7	-57.2	175.2	179.8	175.1	0	110.4	N630 D631 V632	K628-N630 PolarHBondContact O-N 2.98Å; K628-N630 VanDerWaalsContact O-N 3.14Å; K628-D631 WeakPolarHBondContact CB-OD2 3.12Å; K628-D631 WeakPolarHBondContact O-CB 3.47Å; K628-D631 PolarHBondContact O-N 3.04Å; K628-V632 PolarHBondContact O-N 3.31Å
629	N	72.9	Confident	83.9	Confident	69 Å²	69	57.7 Å²	57.7	37%	0.369	32%	0.315	S	S	.	.	H	α-helix	trans	-55.1	-37.1	-175.1	-74.4	2.1	0	0	0	113.7	I587 K588 D631 V632	I587-N629 HydrophobicContact CB-CB 4.12Å; I587-N629 HydrophobicContact CG1-CB 4.28Å; I587-N629 HydrophobicContact CG2-CB 4.22Å; K588-N629 VanDerWaalsContact CE-OD1 3.24Å; K588-N629 WeakPolarHBondContact CE-OD1 3.25Å; N629-D631 PolarHBondContact O-N 2.91Å; N629-V632 PolarHBondContact O-N 2.88Å
630	N	69.3	Low	83.8	Confident	134 Å²	134	59.7 Å²	59.7	72%	0.717	32%	0.324	S	S	*	.	H	α-helix	trans	-68.3	-23	-179.5	-60.3	0.4	0	0	0	113.2	R185 K628	R185-N630 PolarHBondContact NH2-O 2.92Å; K628-N630 PolarHBondContact O-N 2.98Å; K628-N630 VanDerWaalsContact O-N 3.14Å
631	D	77	Confident	83.9	Confident	71 Å²	71	62.8 Å²	62.8	38%	0.38	34%	0.336	S	S	.	.	H	α-helix	trans	-85	-29.4	-179.2	-51.8	-29.3	0	0	0	111.3	V627 K628 N629 I633 G634 R635	V627-D631 HydrophobicContact CG1-CB 3.81Å; K628-D631 WeakPolarHBondContact CB-OD2 3.12Å; K628-D631 WeakPolarHBondContact O-CB 3.47Å; K628-D631 PolarHBondContact O-N 3.04Å; N629-D631 PolarHBondContact O-N 2.91Å; D631-I633 PolarHBondContact O-N 3.46Å; D631-G634 WeakPolarHBondContact O-CA 3.5Å; D631-G634 PolarHBondContact O-N 2.65Å; D631-R635 PolarHBondContact O-N 3.45Å; D631-R635 VanDerWaalsContact O-N 3.08Å
632	V	78.7	Confident	84.1	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-57.4	-47.7	-174.2	172.6	0	0	0	0	112.1	K588 F624 V627 K628 N629 G634 R635 I636	K588-V632 HydrophobicContact CG-CG2 4.29Å; F624-V632 HydrophobicContact CB-CG2 4.1Å; F624-V632 HydrophobicContact CD2-CG1 3.92Å; F624-V632 HydrophobicContact CD2-CG2 4.46Å; F624-V632 HydrophobicContact CE2-CG1 3.96Å; F624-V632 HydrophobicContact CG-CG1 4.3Å; F624-V632 HydrophobicContact CG-CG2 4.23Å; F624-V632 HydrophobicContact CZ-CG1 4.36Å; V627-V632 HydrophobicContact CB-CG2 4.28Å; V627-V632 HydrophobicContact CG1-CG2 3.73Å; K628-V632 PolarHBondContact O-N 3.31Å; N629-V632 PolarHBondContact O-N 2.88Å; V632-G634 PolarHBondContact O-N 3.16Å; V632-R635 PolarHBondContact O-N 3.21Å; V632-I636 HydrophobicContact CG1-CD1 3.6Å; V632-I636 HydrophobicContact CG1-CG1 4.43Å; V632-I636 WeakPolarHBondContact O-CG1 3.36Å; V632-I636 PolarHBondContact O-N 3.27Å
633	I	79.4	Confident	84.5	Confident	11 Å²	11	59.5 Å²	59.5	6%	0.056	33%	0.326	C	S	.	.	H	α-helix	trans	-59.2	-36.4	177.6	-174.6	58.9	0	0	0	111.5	P592 I595 D631 I636 E637	P592-I633 HydrophobicContact CB-CD1 4.12Å; I595-I633 HydrophobicContact CB-CD1 4.27Å; I595-I633 HydrophobicContact CD1-CD1 4.1Å; I595-I633 HydrophobicContact CG2-CB 4.28Å; I595-I633 HydrophobicContact CG2-CD1 4.22Å; I595-I633 HydrophobicContact CG2-CG1 4.17Å; D631-I633 PolarHBondContact O-N 3.46Å; I633-I636 PolarHBondContact O-N 3.01Å; I633-E637 HydrophobicContact CD1-CG 4.08Å; I633-E637 HydrophobicContact CG1-CG 4.26Å; I633-E637 WeakPolarHBondContact O-CB 3.41Å; I633-E637 WeakPolarHBondContact O-CG 3.25Å; I633-E637 PolarHBondContact O-N 3.39Å
634	G	76	Confident	84.8	Confident	2 Å²	2	64.4 Å²	64.4	2%	0.021	35%	0.351	C	S	.	.	H	α-helix	trans	-67.2	-46	178.6	0	0	0	0	0	113.8	R185 D631 V632 E637 N638	R185-G634 VanDerWaalsContact NH2-CA 3.34Å; D631-G634 WeakPolarHBondContact O-CA 3.5Å; D631-G634 PolarHBondContact O-N 2.65Å; V632-G634 PolarHBondContact O-N 3.16Å; G634-E637 PolarHBondContact O-N 2.93Å; G634-N638 WeakPolarHBondContact O-CB 3.44Å; G634-N638 PolarHBondContact O-N 3.21Å
635	R	88.7	Confident	85.2	Confident	97 Å²	97	63.3 Å²	63.3	37%	0.366	35%	0.346	S	S	.	.	H	α-helix	trans	-56.5	-51.3	174.4	-67.3	-179.8	175.6	-105.6	7.6	110.5	D631 V632 E637 N638 G639 E640	D631-R635 PolarHBondContact O-N 3.45Å; D631-R635 VanDerWaalsContact O-N 3.08Å; V632-R635 PolarHBondContact O-N 3.21Å; R635-E637 VanDerWaalsContact C-N 3.3Å; R635-E637 PolarHBondContact O-N 3.37Å; R635-N638 PolarHBondContact O-N 3.32Å; R635-G639 PolarHBondContact O-N 3.33Å; R635-E640 HydrophobicContact CB-CB 4Å; R635-E640 VanDerWaalsContact CB-CD 3.48Å; R635-E640 HydrophobicContact CB-CG 4.26Å; R635-E640 WeakPolarHBondContact CB-OE2 3.37Å; R635-E640 WeakPolarHBondContact CD-OE2 3.46Å; R635-E640 WeakPolarHBondContact CG-OE1 3.33Å; R635-E640 VanDerWaalsContact CG-OE2 3.29Å; R635-E640 WeakPolarHBondContact CG-OE2 3.5Å; R635-E640 IonicContact CZ-OE2 3.92Å; R635-E640 IonicContact NE-OE2 3.99Å; R635-E640 IonicContact NH1-OE2 2.83Å; R635-E640 PolarHBondContact NH1-OE2 2.81Å; R635-E640 VanDerWaalsContact O-CB 3.31Å; R635-E640 WeakPolarHBondContact O-CB 3.29Å; R635-E640 PolarHBondContact O-N 3.09Å
636	I	89.3	Confident	85.6	Confident	3 Å²	3	61 Å²	61	2%	0.015	34%	0.344	C	S	.	.	H	α-helix	trans	-60	-40.7	177.4	-66.1	164.7	0	0	0	111.7	P592 W607 F624 V632 I633 G639 R641 Y662	P592-I636 HydrophobicContact CG-CG2 3.7Å; W607-I636 HydrophobicContact CH2-CG2 3.52Å; W607-I636 HydrophobicContact CZ2-CD1 4.04Å; W607-I636 HydrophobicContact CZ2-CG1 4.37Å; W607-I636 HydrophobicContact CZ2-CG2 3.87Å; F624-I636 HydrophobicContact CE2-CD1 4.32Å; F624-I636 HydrophobicContact CZ-CD1 4.1Å; F624-I636 HydrophobicContact CZ-CG1 3.97Å; V632-I636 HydrophobicContact CG1-CD1 3.6Å; V632-I636 HydrophobicContact CG1-CG1 4.43Å; V632-I636 WeakPolarHBondContact O-CG1 3.36Å; V632-I636 PolarHBondContact O-N 3.27Å; I633-I636 PolarHBondContact O-N 3.01Å; I636-G639 PolarHBondContact O-N 3.41Å; I636-G639 VanDerWaalsContact O-N 3.17Å; I636-R641 PolarHBondContact O-NH1 2.94Å; I636-Y662 HydrophobicContact CG2-CD2 4.42Å
637	E	84.8	Confident	86.1	Confident	18 Å²	18	64.4 Å²	64.4	8%	0.084	34%	0.342	C	S	.	.	H	α-helix	trans	-70.5	-28.5	178.9	-80.3	-171.9	160.3	0	0	114	R185 K191 N596 I633 G634 R635 G639 Y662	R185-E637 WeakPolarHBondContact CD-OE2 3.1Å; K191-E637 VanDerWaalsContact NZ-CA 3.3Å; K191-E637 VanDerWaalsContact NZ-CB 3.28Å; K191-E637 PolarHBondContact NZ-O 3.31Å; N596-E637 PolarHBondContact ND2-OE1 3.13Å; I633-E637 HydrophobicContact CD1-CG 4.08Å; I633-E637 HydrophobicContact CG1-CG 4.26Å; I633-E637 WeakPolarHBondContact O-CB 3.41Å; I633-E637 WeakPolarHBondContact O-CG 3.25Å; I633-E637 PolarHBondContact O-N 3.39Å; G634-E637 PolarHBondContact O-N 2.93Å; R635-E637 VanDerWaalsContact C-N 3.3Å; R635-E637 PolarHBondContact O-N 3.37Å; E637-G639 VanDerWaalsContact C-N 3.25Å; E637-Y662 HydrophobicContact CG-CE2 3.74Å; E637-Y662 PolarHBondContact OE1-OH 2.69Å; E637-Y662 VanDerWaalsContact OE1-OH 3.09Å
638	N	89.5	Confident	86.9	Confident	130 Å²	130	64 Å²	64	70%	0.695	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-6.2	171.2	-69.9	-11.6	0	0	0	113	G634 R635	G634-N638 WeakPolarHBondContact O-CB 3.44Å; G634-N638 PolarHBondContact O-N 3.21Å; R635-N638 PolarHBondContact O-N 3.32Å
639	G	90.3	Very high	88	Confident	51 Å²	51	57.4 Å²	57.4	53%	0.526	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.2	-3.8	178.6	0	0	0	0	0	115.1	R635 I636 E637 R641	R635-G639 PolarHBondContact O-N 3.33Å; I636-G639 PolarHBondContact O-N 3.41Å; I636-G639 VanDerWaalsContact O-N 3.17Å; E637-G639 VanDerWaalsContact C-N 3.25Å; G639-R641 PolarHBondContact O-NH1 2.62Å
640	E	94.3	Very high	89.1	Confident	80 Å²	80	59 Å²	59	37%	0.374	33%	0.328	S	S	.	.			trans	-60	143.7	174.1	-65.2	170.8	-125.8	0	0	110.7	R635	R635-E640 HydrophobicContact CB-CB 4Å; R635-E640 VanDerWaalsContact CB-CD 3.48Å; R635-E640 HydrophobicContact CB-CG 4.26Å; R635-E640 WeakPolarHBondContact CB-OE2 3.37Å; R635-E640 WeakPolarHBondContact CD-OE2 3.46Å; R635-E640 WeakPolarHBondContact CG-OE1 3.33Å; R635-E640 VanDerWaalsContact CG-OE2 3.29Å; R635-E640 WeakPolarHBondContact CG-OE2 3.5Å; R635-E640 IonicContact CZ-OE2 3.92Å; R635-E640 IonicContact NE-OE2 3.99Å; R635-E640 IonicContact NH1-OE2 2.83Å; R635-E640 PolarHBondContact NH1-OE2 2.81Å; R635-E640 VanDerWaalsContact O-CB 3.31Å; R635-E640 WeakPolarHBondContact O-CB 3.29Å; R635-E640 PolarHBondContact O-N 3.09Å
641	R	96.6	Very high	90.4	Very high	65 Å²	65	56.1 Å²	56.1	25%	0.245	32%	0.315	C	S	.	.			trans	-133.9	165.3	174.1	-65.5	-61.1	-179	-89.6	5.6	109.4	I636 G639 W660	I636-R641 PolarHBondContact O-NH1 2.94Å; G639-R641 PolarHBondContact O-NH1 2.62Å; R641-W660 HydrophobicContact CB-CE3 4.08Å; R641-W660 HydrophobicContact CB-CZ3 4.46Å; R641-W660 HydrophobicContact CG-CE3 4.4Å; R641-W660 PolarHBondContact NE-O 3.1Å; R641-W660 PolarHBondContact NH2-O 3.41Å
642	L	96.6	Very high	91.3	Very high	7 Å²	7	52.7 Å²	52.7	4%	0.037	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-62.9	138.3	173.6	-66.2	166.9	0	0	0	109.1	V611 W614 P623 F624 Y653 W660	V611-L642 HydrophobicContact CG1-CD1 4.12Å; V611-L642 HydrophobicContact CG2-CD1 4.31Å; W614-L642 HydrophobicContact CB-CD1 4.35Å; W614-L642 HydrophobicContact CD2-CB 4.08Å; W614-L642 HydrophobicContact CD2-CD1 3.82Å; W614-L642 HydrophobicContact CD2-CG 4.36Å; W614-L642 HydrophobicContact CE3-CD1 4.02Å; W614-L642 HydrophobicContact CG-CB 4.09Å; W614-L642 HydrophobicContact CG-CD1 3.98Å; W614-L642 HydrophobicContact CH2-CD2 4.31Å; W614-L642 HydrophobicContact CZ2-CB 4.34Å; W614-L642 HydrophobicContact CZ2-CD2 4.17Å; P623-L642 HydrophobicContact CB-CD1 3.88Å; P623-L642 HydrophobicContact CB-CD2 3.99Å; F624-L642 HydrophobicContact CD1-CD2 4.01Å; F624-L642 HydrophobicContact CD2-CD2 3.89Å; F624-L642 HydrophobicContact CE1-CD2 3.99Å; F624-L642 HydrophobicContact CE1-CG 4.39Å; F624-L642 HydrophobicContact CE2-CD1 4.4Å; F624-L642 HydrophobicContact CE2-CD2 3.86Å; F624-L642 HydrophobicContact CE2-CG 4.05Å; F624-L642 HydrophobicContact CG-CD2 3.97Å; F624-L642 HydrophobicContact CZ-CD2 3.91Å; F624-L642 HydrophobicContact CZ-CG 3.96Å; L642-Y653 PolarHBondContact O-OH 3.29Å; L642-Y653 VanDerWaalsContact O-OH 3.07Å; L642-W660 HydrophobicContact CB-CH2 3.77Å; L642-W660 HydrophobicContact CB-CZ2 4.32Å; L642-W660 HydrophobicContact CB-CZ3 4.16Å; L642-W660 HydrophobicContact CD1-CH2 4.24Å; L642-W660 HydrophobicContact CD1-CZ2 3.94Å
643	P	96.4	Very high	92.3	Very high	83 Å²	83	55.1 Å²	55.1	54%	0.539	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-69.6	158.5	-174.5	30	-36.4	0	0	0	111.9	W614 P645	W614-P643 HydrophobicContact CZ2-CG 4.48Å; W614-P643 PolarHBondContact NE1-O 3.26Å; P643-P645 WeakPolarHBondContact O-CD 3.34Å
644	M	97.5	Very high	93.2	Very high	103 Å²	103	57.3 Å²	57.3	51%	0.507	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-59.7	124.9	174.3	-171.9	168.6	73	0	0	110.7	C648 Y653	M644-C648 HydrophobicContact CG-CB 4.12Å; M644-Y653 VanDerWaalsContact CA-CE2 3.45Å; M644-Y653 HydrophobicContact CB-CD1 3.93Å; M644-Y653 HydrophobicContact CB-CD2 3.94Å; M644-Y653 HydrophobicContact CB-CE1 3.91Å; M644-Y653 HydrophobicContact CB-CE2 3.92Å; M644-Y653 HydrophobicContact CB-CG 3.94Å; M644-Y653 HydrophobicContact CG-CD1 3.91Å; M644-Y653 HydrophobicContact CG-CD2 3.96Å; M644-Y653 HydrophobicContact CG-CE1 4.41Å; M644-Y653 HydrophobicContact CG-CE2 4.45Å; M644-Y653 HydrophobicContact CG-CG 3.65Å; M644-Y653 HydrophobicContact SD-CD1 3.9Å; M644-Y653 HydrophobicContact SD-CG 4.06Å
645	P	96.4	Very high	94.2	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.019	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-62.9	150.9	177.1	-23.2	34.2	0	0	0	112.3	W614 L617 M618 P643 C648	W614-P645 HydrophobicContact CG-CG 4.47Å; L617-P645 HydrophobicContact CB-CB 3.87Å; L617-P645 HydrophobicContact CB-CG 3.76Å; M618-P645 HydrophobicContact CG-CB 4Å; M618-P645 HydrophobicContact CG-CG 3.97Å; M618-P645 HydrophobicContact SD-CB 3.67Å; M618-P645 HydrophobicContact SD-CG 4.14Å; P643-P645 WeakPolarHBondContact O-CD 3.34Å; P645-C648 HydrophobicContact CB-CB 4.05Å; P645-C648 HydrophobicContact CG-CB 4.35Å; P645-C648 WeakPolarHBondContact O-CB 3.41Å; P645-C648 PolarHBondContact O-N 3.05Å
646	P	93	Very high	94.7	Very high	97 Å²	97	52.6 Å²	52.6	63%	0.63	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	140	171.7	-23.1	33.8	0	0	0	111.4	C648	P646-C648 PolarHBondContact O-N 3.48Å
647	N	89.9	Confident	95.1	Very high	152 Å²	152	55 Å²	55	81%	0.813	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	14.3	-179	-52.3	-25.5	0	0	0	115.5
648	C	95.9	Very high	95.7	Very high	10 Å²	10	58 Å²	58	7%	0.068	33%	0.332	C	S	.	.			trans	-73.7	130	176.8	-172.4	0	0	0	0	111.5	L617 M644 P645 P646	L617-C648 HydrophobicContact CD1-CB 4.43Å; M644-C648 HydrophobicContact CG-CB 4.12Å; P645-C648 HydrophobicContact CB-CB 4.05Å; P645-C648 HydrophobicContact CG-CB 4.35Å; P645-C648 WeakPolarHBondContact O-CB 3.41Å; P645-C648 PolarHBondContact O-N 3.05Å; P646-C648 PolarHBondContact O-N 3.48Å
649	P	95.4	Very high	96.2	Very high	20 Å²	20	51.9 Å²	51.9	13%	0.13	30%	0.299	C	S	.	.			trans	-58.4	136.3	172.1	-26.9	36.2	0	0	0	112	L521 I525 T651 L652 Y653	L521-P649 HydrophobicContact CD2-CG 3.85Å; I525-P649 HydrophobicContact CD1-CG 4.41Å; P649-T651 PolarHBondContact O-N 2.94Å; P649-L652 HydrophobicContact CB-CB 4.17Å; P649-L652 WeakPolarHBondContact O-CB 3.19Å; P649-L652 PolarHBondContact O-N 3.23Å; P649-Y653 PolarHBondContact O-N 3.12Å
650	P	95.8	Very high	96.6	Very high	103 Å²	103	49.7 Å²	49.7	67%	0.669	28%	0.275	S	S	*	.	H	α-helix	trans	-58.4	-32.3	178.8	-27.2	35.4	0	0	0	113.7	S654	P650-S654 WeakPolarHBondContact O-CB 3.39Å; P650-S654 PolarHBondContact O-N 3.09Å
651	T	96.3	Very high	96.7	Very high	72 Å²	72	47 Å²	47	44%	0.442	27%	0.267	S	S	.	.	H	α-helix	trans	-63	-43.3	174.3	47.3	0	0	0	0	111.9	P649 S654 L655	P649-T651 PolarHBondContact O-N 2.94Å; T651-S654 WeakPolarHBondContact O-CB 3.31Å; T651-S654 PolarHBondContact O-N 3.09Å; T651-L655 PolarHBondContact O-N 3.45Å
652	L	97.6	Very high	96.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-68.8	-43.9	177.4	-175.5	63.6	0	0	0	112	I525 L617 P649 S654 L655 M656 L677 I680	I525-L652 HydrophobicContact CD1-CD2 4.34Å; I525-L652 HydrophobicContact CG1-CD2 3.92Å; L617-L652 HydrophobicContact CD1-CD2 4.07Å; L617-L652 HydrophobicContact CD2-CD2 4.02Å; L617-L652 HydrophobicContact CG-CD2 4.02Å; P649-L652 HydrophobicContact CB-CB 4.17Å; P649-L652 WeakPolarHBondContact O-CB 3.19Å; P649-L652 PolarHBondContact O-N 3.23Å; L652-S654 VanDerWaalsContact C-N 3.35Å; L652-L655 WeakPolarHBondContact O-CA 3.25Å; L652-L655 VanDerWaalsContact O-CB 3.31Å; L652-L655 WeakPolarHBondContact O-CB 3.48Å; L652-L655 PolarHBondContact O-N 3.27Å; L652-L655 VanDerWaalsContact O-N 3.13Å; L652-M656 HydrophobicContact CD2-CE 4.22Å; L652-M656 HydrophobicContact CG-CE 3.99Å; L652-M656 WeakPolarHBondContact O-CG 3.42Å; L652-M656 PolarHBondContact O-N 2.73Å; L652-L677 HydrophobicContact CD1-CD2 3.56Å; L652-I680 HydrophobicContact CB-CG2 4.39Å
653	Y	98.4	Very high	96.4	Very high	51 Å²	51	47.2 Å²	47.2	20%	0.2	27%	0.27	C	S	.	.	H	α-helix	trans	-67	-36.5	176	-176.1	-112.5	0	0	0	112.2	L642 M644 P649 L655 M656 T657 W660	L642-Y653 PolarHBondContact O-OH 3.29Å; L642-Y653 VanDerWaalsContact O-OH 3.07Å; M644-Y653 VanDerWaalsContact CA-CE2 3.45Å; M644-Y653 HydrophobicContact CB-CD1 3.93Å; M644-Y653 HydrophobicContact CB-CD2 3.94Å; M644-Y653 HydrophobicContact CB-CE1 3.91Å; M644-Y653 HydrophobicContact CB-CE2 3.92Å; M644-Y653 HydrophobicContact CB-CG 3.94Å; M644-Y653 HydrophobicContact CG-CD1 3.91Å; M644-Y653 HydrophobicContact CG-CD2 3.96Å; M644-Y653 HydrophobicContact CG-CE1 4.41Å; M644-Y653 HydrophobicContact CG-CE2 4.45Å; M644-Y653 HydrophobicContact CG-CG 3.65Å; M644-Y653 HydrophobicContact SD-CD1 3.9Å; M644-Y653 HydrophobicContact SD-CG 4.06Å; P649-Y653 PolarHBondContact O-N 3.12Å; Y653-L655 VanDerWaalsContact C-N 3.27Å; Y653-L655 PolarHBondContact O-N 2.94Å; Y653-M656 HydrophobicContact CD2-SD 4.39Å; Y653-M656 PolarHBondContact O-N 3.36Å; Y653-T657 HydrophobicContact CD1-CG2 4.24Å; Y653-T657 HydrophobicContact CE1-CG2 3.81Å; Y653-T657 HydrophobicContact CE2-CG2 4.18Å; Y653-T657 WeakPolarHBondContact O-CG2 3.44Å; Y653-T657 PolarHBondContact O-N 2.95Å; Y653-T657 PolarHBondContact O-OG1 2.71Å; Y653-W660 HydrophobicContact CE2-CZ3 4.09Å
654	S	97.9	Very high	96.2	Very high	56 Å²	56	44.6 Å²	44.6	39%	0.392	25%	0.253	S	S	.	.	H	α-helix	trans	-55.5	-43.8	168.9	-177	0	0	0	0	111	P650 T651 L652 M656 T657 K658	P650-S654 WeakPolarHBondContact O-CB 3.39Å; P650-S654 PolarHBondContact O-N 3.09Å; T651-S654 WeakPolarHBondContact O-CB 3.31Å; T651-S654 PolarHBondContact O-N 3.09Å; L652-S654 VanDerWaalsContact C-N 3.35Å; S654-M656 PolarHBondContact O-N 2.96Å; S654-T657 PolarHBondContact O-N 3.31Å; S654-T657 PolarHBondContact O-OG1 3.29Å; S654-K658 WeakPolarHBondContact O-CG 3.24Å; S654-K658 PolarHBondContact O-N 3.44Å
655	L	98	Very high	96	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-62.3	-42.5	175.3	-162.8	57.9	0	0	0	113.1	T651 L652 Y653 T657 K658 C659 L673 Q676 L677 I680	T651-L655 PolarHBondContact O-N 3.45Å; L652-L655 WeakPolarHBondContact O-CA 3.25Å; L652-L655 VanDerWaalsContact O-CB 3.31Å; L652-L655 WeakPolarHBondContact O-CB 3.48Å; L652-L655 PolarHBondContact O-N 3.27Å; L652-L655 VanDerWaalsContact O-N 3.13Å; Y653-L655 VanDerWaalsContact C-N 3.27Å; Y653-L655 PolarHBondContact O-N 2.94Å; L655-T657 PolarHBondContact O-N 3.43Å; L655-K658 HydrophobicContact CD1-CD 4.2Å; L655-K658 PolarHBondContact O-N 3.15Å; L655-C659 PolarHBondContact O-N 3.48Å; L655-C659 PolarHBondContact O-SG 2.9Å; L655-L673 HydrophobicContact CD1-CD2 3.54Å; L655-L673 HydrophobicContact CD2-CD2 4.07Å; L655-L673 HydrophobicContact CG-CD2 3.65Å; L655-Q676 HydrophobicContact CD1-CB 4.18Å; L655-Q676 HydrophobicContact CD2-CB 3.91Å; L655-L677 HydrophobicContact CD2-CD2 4.09Å; L655-L677 HydrophobicContact CD2-CG 3.84Å; L655-I680 HydrophobicContact CD2-CD1 4.36Å
656	M	98.6	Very high	96	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.3	-44.2	173.6	-60.7	-174.2	-164.3	0	0	111.8	M613 W614 L617 L652 Y653 S654 K658 C659 W660	M613-M656 HydrophobicContact CB-CE 3.92Å; M613-M656 HydrophobicContact CB-CG 4.25Å; M613-M656 HydrophobicContact CB-SD 4.35Å; M613-M656 HydrophobicContact CE-CG 4.17Å; W614-M656 HydrophobicContact CB-SD 4.03Å; L617-M656 HydrophobicContact CB-CE 4.25Å; L617-M656 HydrophobicContact CD2-CE 4.29Å; L617-M656 HydrophobicContact CG-CE 3.87Å; L652-M656 HydrophobicContact CD2-CE 4.22Å; L652-M656 HydrophobicContact CG-CE 3.99Å; L652-M656 WeakPolarHBondContact O-CG 3.42Å; L652-M656 PolarHBondContact O-N 2.73Å; Y653-M656 HydrophobicContact CD2-SD 4.39Å; Y653-M656 PolarHBondContact O-N 3.36Å; S654-M656 PolarHBondContact O-N 2.96Å; M656-K658 PolarHBondContact O-N 3.38Å; M656-C659 WeakPolarHBondContact O-CA 3.28Å; M656-C659 VanDerWaalsContact O-CB 3.28Å; M656-C659 WeakPolarHBondContact O-CB 3.47Å; M656-C659 PolarHBondContact O-N 3.33Å; M656-C659 VanDerWaalsContact O-N 3.08Å; M656-W660 HydrophobicContact CB-CE3 4.47Å; M656-W660 HydrophobicContact CB-CH2 3.95Å; M656-W660 HydrophobicContact CB-CZ2 4.24Å; M656-W660 HydrophobicContact CB-CZ3 4.08Å; M656-W660 PolarHBondContact O-N 3.21Å; M656-W660 VanDerWaalsContact O-N 3.08Å; M656-W660 HydrophobicContact SD-CH2 4.27Å
657	T	97.9	Very high	96.2	Very high	54 Å²	54	49.7 Å²	49.7	33%	0.331	27%	0.269	S	S	.	.	H	α-helix	trans	-68.5	-30.7	-179.6	62.4	0	0	0	0	113.2	Y653 S654 L655 W660 A661	Y653-T657 HydrophobicContact CD1-CG2 4.24Å; Y653-T657 HydrophobicContact CE1-CG2 3.81Å; Y653-T657 HydrophobicContact CE2-CG2 4.18Å; Y653-T657 WeakPolarHBondContact O-CG2 3.44Å; Y653-T657 PolarHBondContact O-N 2.95Å; Y653-T657 PolarHBondContact O-OG1 2.71Å; S654-T657 PolarHBondContact O-N 3.31Å; S654-T657 PolarHBondContact O-OG1 3.29Å; L655-T657 PolarHBondContact O-N 3.43Å; T657-W660 HydrophobicContact CG2-CE3 4.32Å; T657-W660 HydrophobicContact CG2-CZ3 4.48Å; T657-W660 CarbonylContact O-C 3.43Å; T657-W660 PolarHBondContact O-N 2.74Å; T657-A661 PolarHBondContact O-N 3.41Å
658	K	98.3	Very high	96.6	Very high	81 Å²	81	43 Å²	43	35%	0.352	23%	0.234	S	C	.	.	H	α-helix	trans	-60.8	-42.3	167.2	-67.5	176.6	-172.1	178.6	0	111.6	S654 L655 M656 W660 A661 P668	S654-K658 WeakPolarHBondContact O-CG 3.24Å; S654-K658 PolarHBondContact O-N 3.44Å; L655-K658 HydrophobicContact CD1-CD 4.2Å; L655-K658 PolarHBondContact O-N 3.15Å; M656-K658 PolarHBondContact O-N 3.38Å; K658-W660 PolarHBondContact O-N 2.86Å; K658-A661 WeakPolarHBondContact O-CB 3.44Å; K658-A661 PolarHBondContact O-N 3.4Å; K658-P668 HydrophobicContact CB-CG 4.24Å
659	C	98.6	Very high	96.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62	-32.5	175	-58	0	0	0	0	112.1	V606 L655 M656 A661 R667 L673	V606-C659 HydrophobicContact CG1-CB 3.96Å; L655-C659 PolarHBondContact O-N 3.48Å; L655-C659 PolarHBondContact O-SG 2.9Å; M656-C659 WeakPolarHBondContact O-CA 3.28Å; M656-C659 VanDerWaalsContact O-CB 3.28Å; M656-C659 WeakPolarHBondContact O-CB 3.47Å; M656-C659 PolarHBondContact O-N 3.33Å; M656-C659 VanDerWaalsContact O-N 3.08Å; C659-A661 VanDerWaalsContact C-N 3.34Å; C659-A661 PolarHBondContact O-N 3.12Å; C659-R667 VanDerWaalsContact O-CD 3.29Å; C659-R667 WeakPolarHBondContact O-CD 3.17Å; C659-R667 WeakPolarHBondContact O-CG 3.37Å; C659-L673 VanDerWaalsContact SG-CD2 3.58Å
660	W	98.4	Very high	96.8	Very high	6 Å²	6	49.9 Å²	49.9	2%	0.023	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	21.8	177.5	-52.1	-39.5	0	0	0	114.9	W607 G610 W614 R641 L642 Y653 M656 T657 K658 Y662	W607-W660 AromaticContact CD2-CD1 3.98Å; W607-W660 HydrophobicContact CE3-CB 4.22Å; W607-W660 HydrophobicContact CH2-CB 4.09Å; W607-W660 HydrophobicContact CZ3-CB 3.92Å; W607-W660 VanDerWaalsContact CZ3-O 3.27Å; W607-W660 WeakPolarHBondContact CZ3-O 3.33Å; G610-W660 VanDerWaalsContact O-CZ2 3.28Å; G610-W660 WeakPolarHBondContact O-CZ2 3.48Å; W614-W660 HydrophobicContact CB-CH2 3.99Å; W614-W660 HydrophobicContact CB-CZ2 3.9Å; W614-W660 AromaticContact CD1-CH2 3.91Å; W614-W660 HydrophobicContact CG-CH2 4.14Å; W614-W660 HydrophobicContact CG-CZ2 4.42Å; R641-W660 HydrophobicContact CB-CE3 4.08Å; R641-W660 HydrophobicContact CB-CZ3 4.46Å; R641-W660 HydrophobicContact CG-CE3 4.4Å; R641-W660 PolarHBondContact NE-O 3.1Å; R641-W660 PolarHBondContact NH2-O 3.41Å; L642-W660 HydrophobicContact CB-CH2 3.77Å; L642-W660 HydrophobicContact CB-CZ2 4.32Å; L642-W660 HydrophobicContact CB-CZ3 4.16Å; L642-W660 HydrophobicContact CD1-CH2 4.24Å; L642-W660 HydrophobicContact CD1-CZ2 3.94Å; Y653-W660 HydrophobicContact CE2-CZ3 4.09Å; M656-W660 HydrophobicContact CB-CE3 4.47Å; M656-W660 HydrophobicContact CB-CH2 3.95Å; M656-W660 HydrophobicContact CB-CZ2 4.24Å; M656-W660 HydrophobicContact CB-CZ3 4.08Å; M656-W660 PolarHBondContact O-N 3.21Å; M656-W660 VanDerWaalsContact O-N 3.08Å; M656-W660 HydrophobicContact SD-CH2 4.27Å; T657-W660 HydrophobicContact CG2-CE3 4.32Å; T657-W660 HydrophobicContact CG2-CZ3 4.48Å; T657-W660 CarbonylContact O-C 3.43Å; T657-W660 PolarHBondContact O-N 2.74Å; K658-W660 PolarHBondContact O-N 2.86Å; W660-Y662 PolarHBondContact O-N 3.32Å
661	A	97.9	Very high	96.9	Very high	24 Å²	24	49 Å²	49	20%	0.198	25%	0.249	C	C	.	.			trans	-56.3	127.3	165.4	0	0	0	0	0	109.4	T657 K658 C659 D663 R666 R667	T657-A661 PolarHBondContact O-N 3.41Å; K658-A661 WeakPolarHBondContact O-CB 3.44Å; K658-A661 PolarHBondContact O-N 3.4Å; C659-A661 VanDerWaalsContact C-N 3.34Å; C659-A661 PolarHBondContact O-N 3.12Å; A661-D663 VanDerWaalsContact C-N 3.35Å; A661-D663 PolarHBondContact O-N 2.92Å; A661-R666 HydrophobicContact CB-CB 4.02Å; A661-R667 HydrophobicContact CB-CG 4.02Å; A661-R667 PolarHBondContact O-NE 2.65Å; A661-R667 PolarHBondContact O-NH2 3.05Å
662	Y	94.3	Very high	97	Very high	38 Å²	38	49.6 Å²	49.6	15%	0.149	25%	0.247	C	C	.	.	S	Bend	trans	-62.1	-45.6	-176.2	-174.3	-88.6	0	0	0	111.1	K191 N194 P592 I636 E637 W660 P664 R667	K191-Y662 HydrophobicContact CD-CD1 4.45Å; K191-Y662 HydrophobicContact CD-CE1 3.61Å; N194-Y662 PolarHBondContact ND2-OH 2.95Å; N194-Y662 WeakPolarHBondContact OD1-CE1 3.3Å; N194-Y662 PolarHBondContact OD1-OH 2.87Å; P592-Y662 HydrophobicContact CB-CD2 4.15Å; P592-Y662 HydrophobicContact CB-CE2 3.57Å; P592-Y662 HydrophobicContact CG-CD2 3.86Å; P592-Y662 HydrophobicContact CG-CE2 3.76Å; I636-Y662 HydrophobicContact CG2-CD2 4.42Å; E637-Y662 HydrophobicContact CG-CE2 3.74Å; E637-Y662 PolarHBondContact OE1-OH 2.69Å; E637-Y662 VanDerWaalsContact OE1-OH 3.09Å; W660-Y662 PolarHBondContact O-N 3.32Å; Y662-P664 WeakPolarHBondContact O-CD 3.44Å; Y662-R667 PolarHBondContact O-NH2 3.44Å; Y662-R667 VanDerWaalsContact O-NH2 3.1Å
663	D	91.8	Very high	97	Very high	38 Å²	38	49.6 Å²	49.6	20%	0.203	25%	0.247	C	C	.	.	S	Bend	trans	-67.4	114.3	171.8	179.6	-7.3	0	0	0	110.2	A661 S665 R666	A661-D663 VanDerWaalsContact C-N 3.35Å; A661-D663 PolarHBondContact O-N 2.92Å; D663-S665 VanDerWaalsContact CG-OG 3.27Å; D663-S665 PolarHBondContact O-N 2.99Å; D663-S665 WeakPolarHBondContact OD1-CB 3.48Å; D663-S665 PolarHBondContact OD1-N 3.14Å; D663-S665 VanDerWaalsContact OD1-N 3.09Å; D663-S665 PolarHBondContact OD1-OG 3.17Å; D663-S665 PolarHBondContact OD2-OG 2.76Å; D663-R666 HydrophobicContact CB-CB 4.49Å; D663-R666 HydrophobicContact CB-CG 4.04Å; D663-R666 PolarHBondContact O-N 3.34Å; D663-R666 VanDerWaalsContact O-N 3.16Å; D663-R666 IonicContact OD2-NE 3.74Å; D663-R666 PolarHBondContact OD2-NE 3.37Å
664	P	93.2	Very high	97	Very high	28 Å²	28	51.1 Å²	51.1	18%	0.182	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-60.4	-29	-176.9	-21.6	32.4	0	0	0	113.4	E593 A603 Y662 R666 R667	E593-P664 HydrophobicContact CB-CG 4.49Å; E593-P664 HydrophobicContact CG-CG 4.03Å; A603-P664 HydrophobicContact CB-CB 3.94Å; Y662-P664 WeakPolarHBondContact O-CD 3.44Å; P664-R666 PolarHBondContact O-N 3.33Å; P664-R667 PolarHBondContact O-N 3.43Å
665	S	92.2	Very high	97	Very high	103 Å²	103	51.2 Å²	51.2	72%	0.72	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-71.3	-13.5	-178.1	71	0	0	0	0	114	D663	D663-S665 VanDerWaalsContact CG-OG 3.27Å; D663-S665 PolarHBondContact O-N 2.99Å; D663-S665 WeakPolarHBondContact OD1-CB 3.48Å; D663-S665 PolarHBondContact OD1-N 3.14Å; D663-S665 VanDerWaalsContact OD1-N 3.09Å; D663-S665 PolarHBondContact OD1-OG 3.17Å; D663-S665 PolarHBondContact OD2-OG 2.76Å
666	R	96.2	Very high	97	Very high	189 Å²	189	53.9 Å²	53.9	71%	0.713	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-97.7	-3.3	179	-61.3	-176.9	-174.3	-139.9	-8.6	113.8	A661 D663 P664	A661-R666 HydrophobicContact CB-CB 4.02Å; D663-R666 HydrophobicContact CB-CB 4.49Å; D663-R666 HydrophobicContact CB-CG 4.04Å; D663-R666 PolarHBondContact O-N 3.34Å; D663-R666 VanDerWaalsContact O-N 3.16Å; D663-R666 IonicContact OD2-NE 3.74Å; D663-R666 PolarHBondContact OD2-NE 3.37Å; P664-R666 PolarHBondContact O-N 3.33Å
667	R	98.3	Very high	97	Very high	17 Å²	17	53.9 Å²	53.9	6%	0.064	27%	0.271	C	S	.	.	S	Bend	trans	-77.6	138.7	178	-59.8	177.4	-164.6	151.5	11.7	108.8	E593 A603 V606 C659 A661 Y662 P664	E593-R667 IonicContact OE1-CZ 3.8Å; E593-R667 IonicContact OE1-NH1 2.71Å; E593-R667 PolarHBondContact OE1-NH1 2.98Å; E593-R667 IonicContact OE1-NH2 3.27Å; E593-R667 PolarHBondContact OE1-NH2 3.32Å; E593-R667 IonicContact OE2-CZ 2.7Å; E593-R667 IonicContact OE2-NH1 3.01Å; E593-R667 PolarHBondContact OE2-NH1 2.84Å; E593-R667 IonicContact OE2-NH2 2.88Å; E593-R667 PolarHBondContact OE2-NH2 2.77Å; A603-R667 VanDerWaalsContact O-CD 3.29Å; A603-R667 WeakPolarHBondContact O-CD 3.49Å; A603-R667 PolarHBondContact O-NH1 3.37Å; V606-R667 HydrophobicContact CG1-CB 3.9Å; C659-R667 VanDerWaalsContact O-CD 3.29Å; C659-R667 WeakPolarHBondContact O-CD 3.17Å; C659-R667 WeakPolarHBondContact O-CG 3.37Å; A661-R667 HydrophobicContact CB-CG 4.02Å; A661-R667 PolarHBondContact O-NE 2.65Å; A661-R667 PolarHBondContact O-NH2 3.05Å; Y662-R667 PolarHBondContact O-NH2 3.44Å; Y662-R667 VanDerWaalsContact O-NH2 3.1Å; P664-R667 PolarHBondContact O-N 3.43Å
668	P	98.1	Very high	97.1	Very high	11 Å²	11	52.6 Å²	52.6	7%	0.071	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-65.8	157.9	176.8	30	-36.6	0	0	0	110.7	V606 K658 E672 L673	V606-P668 WeakPolarHBondContact CG2-O 3.36Å; K658-P668 HydrophobicContact CB-CG 4.24Å; P668-E672 HydrophobicContact CB-CB 4.36Å; P668-E672 HydrophobicContact CB-CG 4.37Å; P668-E672 VanDerWaalsContact CB-OE2 3.32Å; P668-E672 WeakPolarHBondContact CB-OE2 3.39Å; P668-L673 HydrophobicContact CB-CD2 4.34Å; P668-L673 HydrophobicContact CB-CG 4.29Å; P668-L673 HydrophobicContact CG-CD1 4.34Å; P668-L673 HydrophobicContact CG-CD2 3.64Å; P668-L673 HydrophobicContact CG-CG 3.94Å
669	R	97.8	Very high	97.1	Very high	172 Å²	172	52 Å²	52	65%	0.649	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-81.5	162.8	172.9	-67.9	-167.1	-177.4	-162.8	0.1	111.7	T671 E672 L673	R669-T671 PolarHBondContact O-N 3.12Å; R669-E672 WeakPolarHBondContact O-CB 3.28Å; R669-E672 PolarHBondContact O-N 2.81Å; R669-E672 VanDerWaalsContact O-N 3.08Å; R669-L673 WeakPolarHBondContact O-CG 3.46Å; R669-L673 PolarHBondContact O-N 2.82Å
670	F	98.3	Very high	97	Very high	3 Å²	3	52.8 Å²	52.8	1%	0.013	27%	0.271	C	S	.	.	H	α-helix	trans	-64.2	-29.9	179.4	-75.5	-65.6	0	0	0	113.1	L535 A536 E539 I548 D605 V606 F609 E672 L673 K674	L535-F670 HydrophobicContact CB-CB 4.44Å; L535-F670 HydrophobicContact CB-CD1 3.5Å; L535-F670 VanDerWaalsContact CB-CD1 3.5Å; L535-F670 HydrophobicContact CB-CD2 3.99Å; L535-F670 HydrophobicContact CB-CE1 3.55Å; L535-F670 HydrophobicContact CB-CE2 4.01Å; L535-F670 HydrophobicContact CB-CG 3.72Å; L535-F670 HydrophobicContact CB-CZ 3.79Å; L535-F670 HydrophobicContact CD1-CD1 4.19Å; L535-F670 HydrophobicContact CD1-CE1 3.52Å; L535-F670 HydrophobicContact CD1-CZ 3.89Å; L535-F670 HydrophobicContact CD2-CZ 4.33Å; L535-F670 HydrophobicContact CG-CD1 4.47Å; L535-F670 HydrophobicContact CG-CE1 4.08Å; L535-F670 HydrophobicContact CG-CZ 4.22Å; A536-F670 HydrophobicContact CB-CB 3.89Å; E539-F670 HydrophobicContact CB-CD2 4.27Å; E539-F670 PolarHBondContact OE2-N 3.41Å; I548-F670 HydrophobicContact CD1-CZ 4.39Å; D605-F670 HydrophobicContact CB-CE2 3.94Å; D605-F670 HydrophobicContact CB-CZ 3.99Å; V606-F670 HydrophobicContact CB-CZ 4.32Å; V606-F670 HydrophobicContact CG2-CD1 4.25Å; V606-F670 HydrophobicContact CG2-CD2 3.95Å; V606-F670 HydrophobicContact CG2-CE1 3.96Å; V606-F670 HydrophobicContact CG2-CE2 3.66Å; V606-F670 HydrophobicContact CG2-CG 4.25Å; V606-F670 HydrophobicContact CG2-CZ 3.67Å; F609-F670 HydrophobicContact CB-CE1 3.69Å; F609-F670 HydrophobicContact CB-CZ 4.11Å; F609-F670 HydrophobicContact CD1-CD1 4.36Å; F609-F670 AromaticContact CD1-CE1 3.8Å; F609-F670 HydrophobicContact CD1-CE1 3.8Å; F609-F670 AromaticContact CG-CE1 3.75Å; F609-F670 HydrophobicContact CG-CE1 3.75Å; F670-E672 VanDerWaalsContact C-N 3.34Å; F670-E672 PolarHBondContact O-N 3.48Å; F670-L673 HydrophobicContact CD1-CD1 3.86Å; F670-L673 HydrophobicContact CE1-CD1 4.2Å; F670-L673 PolarHBondContact O-N 3.13Å; F670-K674 VanDerWaalsContact O-CB 3.3Å; F670-K674 WeakPolarHBondContact O-CB 3.5Å; F670-K674 PolarHBondContact O-N 2.94Å
671	T	97.1	Very high	97	Very high	86 Å²	86	53 Å²	53	53%	0.528	27%	0.273	S	S	.	.	H	α-helix	trans	-62.3	-38.2	172.4	53.5	0	0	0	0	113.1	A536 R669 A675	A536-T671 HydrophobicContact CB-CG2 4.39Å; R669-T671 PolarHBondContact O-N 3.12Å; T671-A675 PolarHBondContact O-N 2.8Å
672	E	97.9	Very high	97	Very high	83 Å²	83	57.4 Å²	57.4	39%	0.388	29%	0.29	S	S	.	.	H	α-helix	trans	-73.1	-43.1	175.7	-174.1	-168.2	155.5	0	0	111.3	P668 R669 F670 K674 A675 Q676	P668-E672 HydrophobicContact CB-CB 4.36Å; P668-E672 HydrophobicContact CB-CG 4.37Å; P668-E672 VanDerWaalsContact CB-OE2 3.32Å; P668-E672 WeakPolarHBondContact CB-OE2 3.39Å; R669-E672 WeakPolarHBondContact O-CB 3.28Å; R669-E672 PolarHBondContact O-N 2.81Å; R669-E672 VanDerWaalsContact O-N 3.08Å; F670-E672 VanDerWaalsContact C-N 3.34Å; F670-E672 PolarHBondContact O-N 3.48Å; E672-K674 VanDerWaalsContact C-N 3.34Å; E672-K674 PolarHBondContact O-N 3.45Å; E672-A675 PolarHBondContact O-N 3.11Å; E672-Q676 VanDerWaalsContact CG-NE2 3.28Å; E672-Q676 PolarHBondContact O-N 3.09Å; E672-Q676 PolarHBondContact OE1-NE2 3.46Å
673	L	98.6	Very high	97.1	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.2	-44.4	176.2	-69.8	170.2	0	0	0	111.8	V606 F609 L655 C659 P668 R669 F670 A675 Q676 L677	V606-L673 HydrophobicContact CG1-CD1 4.02Å; V606-L673 HydrophobicContact CG2-CD1 4.16Å; F609-L673 HydrophobicContact CD1-CD1 3.92Å; F609-L673 HydrophobicContact CE1-CB 4.47Å; F609-L673 HydrophobicContact CE1-CD1 4.12Å; L655-L673 HydrophobicContact CD1-CD2 3.54Å; L655-L673 HydrophobicContact CD2-CD2 4.07Å; L655-L673 HydrophobicContact CG-CD2 3.65Å; C659-L673 VanDerWaalsContact SG-CD2 3.58Å; P668-L673 HydrophobicContact CB-CD2 4.34Å; P668-L673 HydrophobicContact CB-CG 4.29Å; P668-L673 HydrophobicContact CG-CD1 4.34Å; P668-L673 HydrophobicContact CG-CD2 3.64Å; P668-L673 HydrophobicContact CG-CG 3.94Å; R669-L673 WeakPolarHBondContact O-CG 3.46Å; R669-L673 PolarHBondContact O-N 2.82Å; F670-L673 HydrophobicContact CD1-CD1 3.86Å; F670-L673 HydrophobicContact CE1-CD1 4.2Å; F670-L673 PolarHBondContact O-N 3.13Å; L673-A675 VanDerWaalsContact C-N 3.34Å; L673-A675 PolarHBondContact O-N 3.21Å; L673-Q676 PolarHBondContact O-N 3.26Å; L673-L677 VanDerWaalsContact O-CB 3.32Å; L673-L677 WeakPolarHBondContact O-CB 3.43Å; L673-L677 VanDerWaalsContact O-CG 3.31Å; L673-L677 WeakPolarHBondContact O-CG 3.45Å; L673-L677 PolarHBondContact O-N 3Å
674	K	98.4	Very high	97.2	Very high	84 Å²	84	58.8 Å²	58.8	37%	0.365	30%	0.296	S	S	.	.	H	α-helix	trans	-56.1	-46.5	174.3	173.6	-178.5	174.7	177.3	0	112.1	Y529 S532 T533 F670 E672 S678	Y529-K674 HydrophobicContact CE2-CG 4.01Å; S532-K674 VanDerWaalsContact OG-CA 3.32Å; S532-K674 WeakPolarHBondContact OG-CA 3.44Å; T533-K674 HydrophobicContact CG2-CD 3.89Å; T533-K674 HydrophobicContact CG2-CG 4.09Å; F670-K674 VanDerWaalsContact O-CB 3.3Å; F670-K674 WeakPolarHBondContact O-CB 3.5Å; F670-K674 PolarHBondContact O-N 2.94Å; E672-K674 VanDerWaalsContact C-N 3.34Å; E672-K674 PolarHBondContact O-N 3.45Å; K674-S678 PolarHBondContact O-N 3.09Å
675	A	98.1	Very high	97.3	Very high	57 Å²	57	62 Å²	62	47%	0.471	31%	0.307	S	S	.	.	H	α-helix	trans	-64	-49	179.9	0	0	0	0	0	111.5	T671 E672 L673 L677 S678 T679	T671-A675 PolarHBondContact O-N 2.8Å; E672-A675 PolarHBondContact O-N 3.11Å; L673-A675 VanDerWaalsContact C-N 3.34Å; L673-A675 PolarHBondContact O-N 3.21Å; A675-L677 PolarHBondContact O-N 2.89Å; A675-S678 WeakPolarHBondContact O-CB 3.48Å; A675-S678 PolarHBondContact O-N 2.95Å; A675-T679 PolarHBondContact O-N 3.07Å; A675-T679 PolarHBondContact O-OG1 3.08Å
676	Q	98.3	Very high	97.4	Very high	57 Å²	57	59.9 Å²	59.9	27%	0.266	30%	0.296	S	S	.	.	H	α-helix	trans	-64.6	-37.2	179.3	-75	172.3	50.2	0	0	112.1	L655 E672 L673 T679 I680	L655-Q676 HydrophobicContact CD1-CB 4.18Å; L655-Q676 HydrophobicContact CD2-CB 3.91Å; E672-Q676 VanDerWaalsContact CG-NE2 3.28Å; E672-Q676 PolarHBondContact O-N 3.09Å; E672-Q676 PolarHBondContact OE1-NE2 3.46Å; L673-Q676 PolarHBondContact O-N 3.26Å; Q676-T679 PolarHBondContact O-N 3.14Å; Q676-I680 WeakPolarHBondContact O-CB 3.29Å; Q676-I680 WeakPolarHBondContact O-CD1 3.46Å; Q676-I680 VanDerWaalsContact O-CG1 3.23Å; Q676-I680 WeakPolarHBondContact O-CG1 3.28Å; Q676-I680 PolarHBondContact O-N 3.45Å
677	L	98.6	Very high	97.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-68.3	-32.1	174.9	-75	165.3	0	0	0	113.3	A528 Y529 F609 M613 L652 L655 L673 A675 L681	A528-L677 HydrophobicContact CB-CD1 4.49Å; A528-L677 HydrophobicContact CB-CD2 4.19Å; Y529-L677 HydrophobicContact CD2-CB 4.1Å; F609-L677 HydrophobicContact CE1-CD1 4.06Å; F609-L677 HydrophobicContact CZ-CD1 3.81Å; M613-L677 HydrophobicContact SD-CD1 4.11Å; M613-L677 HydrophobicContact SD-CD2 4.18Å; L652-L677 HydrophobicContact CD1-CD2 3.56Å; L655-L677 HydrophobicContact CD2-CD2 4.09Å; L655-L677 HydrophobicContact CD2-CG 3.84Å; L673-L677 VanDerWaalsContact O-CB 3.32Å; L673-L677 WeakPolarHBondContact O-CB 3.43Å; L673-L677 VanDerWaalsContact O-CG 3.31Å; L673-L677 WeakPolarHBondContact O-CG 3.45Å; L673-L677 PolarHBondContact O-N 3Å; A675-L677 PolarHBondContact O-N 2.89Å; L677-L681 VanDerWaalsContact O-CB 3.24Å; L677-L681 WeakPolarHBondContact O-CB 3.19Å; L677-L681 PolarHBondContact O-N 3.21Å
678	S	98.4	Very high	96.8	Very high	27 Å²	27	57.3 Å²	57.3	19%	0.189	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-51.3	173.2	-156.7	0	0	0	0	110.7	K674 A675 I680 L681 E682	K674-S678 PolarHBondContact O-N 3.09Å; A675-S678 WeakPolarHBondContact O-CB 3.48Å; A675-S678 PolarHBondContact O-N 2.95Å; S678-I680 PolarHBondContact O-N 2.96Å; S678-L681 WeakPolarHBondContact O-CB 3.5Å; S678-L681 PolarHBondContact O-N 3.13Å; S678-E682 WeakPolarHBondContact O-CG 3.16Å; S678-E682 PolarHBondContact O-N 3.28Å; S678-E682 PolarHBondContact OG-OE1 2.96Å
679	T	98.2	Very high	96.4	Very high	70 Å²	70	63.1 Å²	63.1	43%	0.429	32%	0.319	S	S	.	.	H	α-helix	trans	-60.6	-46.3	179.4	-52.5	0	0	0	0	111.8	A675 Q676 L681 E682 E683	A675-T679 PolarHBondContact O-N 3.07Å; A675-T679 PolarHBondContact O-OG1 3.08Å; Q676-T679 PolarHBondContact O-N 3.14Å; T679-L681 VanDerWaalsContact C-N 3.29Å; T679-L681 PolarHBondContact O-N 3.06Å; T679-E682 PolarHBondContact O-N 3.04Å; T679-E683 WeakPolarHBondContact O-CB 3.38Å; T679-E683 WeakPolarHBondContact O-CG 3.29Å; T679-E683 PolarHBondContact O-N 2.95Å
680	I	97.8	Very high	96.1	Very high	15 Å²	15	58.4 Å²	58.4	8%	0.077	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-36.4	177.6	-67.7	166.1	0	0	0	111.5	I525 L652 L655 Q676 S678 E684	I525-I680 HydrophobicContact CD1-CG2 4.15Å; I525-I680 HydrophobicContact CG2-CG2 4.25Å; L652-I680 HydrophobicContact CB-CG2 4.39Å; L655-I680 HydrophobicContact CD2-CD1 4.36Å; Q676-I680 WeakPolarHBondContact O-CB 3.29Å; Q676-I680 WeakPolarHBondContact O-CD1 3.46Å; Q676-I680 VanDerWaalsContact O-CG1 3.23Å; Q676-I680 WeakPolarHBondContact O-CG1 3.28Å; Q676-I680 PolarHBondContact O-N 3.45Å; S678-I680 PolarHBondContact O-N 2.96Å; I680-E684 WeakPolarHBondContact O-CB 3.43Å; I680-E684 PolarHBondContact O-N 3.49Å
681	L	97.9	Very high	95.7	Very high	11 Å²	11	63.2 Å²	63.2	6%	0.058	32%	0.322	C	S	.	.	H	α-helix	trans	-69.3	-40.3	176.9	-178.8	59.7	0	0	0	112.5	A522 I525 L526 Y529 L677 S678 T679 K685	A522-L681 WeakPolarHBondContact O-CD1 3.42Å; I525-L681 HydrophobicContact CB-CD1 4.08Å; I525-L681 HydrophobicContact CG2-CB 3.82Å; I525-L681 HydrophobicContact CG2-CD1 3.95Å; I525-L681 HydrophobicContact CG2-CG 4.45Å; L526-L681 HydrophobicContact CB-CD1 4.21Å; L526-L681 HydrophobicContact CB-CD2 4.33Å; L526-L681 HydrophobicContact CD1-CD2 3.92Å; Y529-L681 HydrophobicContact CD1-CD2 4.3Å; Y529-L681 HydrophobicContact CG-CD2 4.35Å; L677-L681 VanDerWaalsContact O-CB 3.24Å; L677-L681 WeakPolarHBondContact O-CB 3.19Å; L677-L681 PolarHBondContact O-N 3.21Å; S678-L681 WeakPolarHBondContact O-CB 3.5Å; S678-L681 PolarHBondContact O-N 3.13Å; T679-L681 VanDerWaalsContact C-N 3.29Å; T679-L681 PolarHBondContact O-N 3.06Å; L681-K685 HydrophobicContact CD1-CD 4.5Å; L681-K685 HydrophobicContact CD1-CG 4.5Å; L681-K685 HydrophobicContact CG-CD 4.41Å; L681-K685 WeakPolarHBondContact O-CB 3.3Å; L681-K685 VanDerWaalsContact O-CG 3.29Å; L681-K685 WeakPolarHBondContact O-CG 3.32Å; L681-K685 PolarHBondContact O-N 2.87Å
682	E	97.2	Very high	95.2	Very high	117 Å²	117	64.2 Å²	64.2	55%	0.547	32%	0.323	S	S	.	.	H	α-helix	trans	-66	-43.9	176.5	-71.7	159.6	-142.5	0	0	111.1	S678 T679 K685 A686	S678-E682 WeakPolarHBondContact O-CG 3.16Å; S678-E682 PolarHBondContact O-N 3.28Å; S678-E682 PolarHBondContact OG-OE1 2.96Å; T679-E682 PolarHBondContact O-N 3.04Å; E682-K685 PolarHBondContact O-N 3.36Å; E682-A686 PolarHBondContact O-N 2.63Å
683	E	96	Very high	94.8	Very high	92 Å²	92	68 Å²	68	43%	0.43	33%	0.333	S	S	.	.	H	α-helix	trans	-59.5	-48.1	173.7	-73.6	173.2	-178.8	0	0	112.2	T679 K685 A686 Q687	T679-E683 WeakPolarHBondContact O-CB 3.38Å; T679-E683 WeakPolarHBondContact O-CG 3.29Å; T679-E683 PolarHBondContact O-N 2.95Å; E683-K685 PolarHBondContact O-N 3.49Å; E683-A686 PolarHBondContact O-N 3.39Å; E683-Q687 WeakPolarHBondContact O-CG 3.44Å; E683-Q687 PolarHBondContact O-N 2.93Å
684	E	95.4	Very high	94.1	Very high	12 Å²	12	73 Å²	73	6%	0.056	36%	0.358	C	S	.	.	H	α-helix	trans	-65.6	-39.1	-179.9	-178.3	59	-150.7	0	0	111.9	L521 A522 I525 I680 Q687 Q688 R691	L521-E684 HydrophobicContact CD2-CG 4.27Å; L521-E684 HydrophobicContact CG-CG 4.13Å; A522-E684 HydrophobicContact CB-CG 4.33Å; I525-E684 HydrophobicContact CD1-CB 4.04Å; I525-E684 HydrophobicContact CD1-CG 4Å; I680-E684 WeakPolarHBondContact O-CB 3.43Å; I680-E684 PolarHBondContact O-N 3.49Å; E684-Q687 PolarHBondContact O-N 2.79Å; E684-Q688 WeakPolarHBondContact O-CB 3.44Å; E684-Q688 PolarHBondContact O-N 2.7Å; E684-R691 IonicContact OE1-CZ 3.73Å; E684-R691 IonicContact OE1-NH1 2.67Å; E684-R691 IonicContact OE1-NH2 2.6Å; E684-R691 PolarHBondContact OE1-NH2 2.95Å
685	K	94.7	Very high	93.5	Very high	96 Å²	96	72.4 Å²	72.4	42%	0.417	36%	0.356	S	S	.	.	H	α-helix	trans	-61.9	-47.2	175	-78.6	177	175.9	-175.2	0	111.8	A522 L681 E682 E683 Q687 Q688 E689	A522-K685 HydrophobicContact CB-CG 4.43Å; L681-K685 HydrophobicContact CD1-CD 4.5Å; L681-K685 HydrophobicContact CD1-CG 4.5Å; L681-K685 HydrophobicContact CG-CD 4.41Å; L681-K685 WeakPolarHBondContact O-CB 3.3Å; L681-K685 VanDerWaalsContact O-CG 3.29Å; L681-K685 WeakPolarHBondContact O-CG 3.32Å; L681-K685 PolarHBondContact O-N 2.87Å; E682-K685 PolarHBondContact O-N 3.36Å; E683-K685 PolarHBondContact O-N 3.49Å; K685-Q687 VanDerWaalsContact C-N 3.31Å; K685-Q687 PolarHBondContact O-N 3.04Å; K685-Q688 PolarHBondContact O-N 2.85Å; K685-Q688 VanDerWaalsContact O-N 3.16Å; K685-E689 WeakPolarHBondContact O-CG 3.5Å; K685-E689 PolarHBondContact O-N 3.1Å
686	A	94.4	Very high	92.8	Very high	59 Å²	59	73.2 Å²	73.2	49%	0.488	36%	0.359	S	S	.	.	H	α-helix	trans	-61.2	-39.8	177.1	0	0	0	0	0	112.1	E682 E683 E690	E682-A686 PolarHBondContact O-N 2.63Å; E683-A686 PolarHBondContact O-N 3.39Å; A686-E690 PolarHBondContact O-N 3.33Å
687	Q	91.8	Very high	92.2	Very high	101 Å²	101	76.2 Å²	76.2	47%	0.472	37%	0.368	S	S	.	.	H	α-helix	trans	-66.1	-39.8	173.8	-70.5	179	41.2	0	0	112.4	E683 E684 K685 E690 R691	E683-Q687 WeakPolarHBondContact O-CG 3.44Å; E683-Q687 PolarHBondContact O-N 2.93Å; E684-Q687 PolarHBondContact O-N 2.79Å; K685-Q687 VanDerWaalsContact C-N 3.31Å; K685-Q687 PolarHBondContact O-N 3.04Å; Q687-E690 PolarHBondContact O-N 3.48Å; Q687-R691 WeakPolarHBondContact O-CB 3.19Å; Q687-R691 VanDerWaalsContact O-CG 3.3Å; Q687-R691 WeakPolarHBondContact O-CG 3.36Å; Q687-R691 PolarHBondContact O-N 3.28Å
688	Q	89.7	Confident	91.2	Very high	51 Å²	51	84.1 Å²	84.1	24%	0.238	40%	0.397	C	S	.	.	H	α-helix	trans	-66.6	-40.5	177.8	-177.9	63.5	-4.7	0	0	112	E684 K685 R691 M692	E684-Q688 WeakPolarHBondContact O-CB 3.44Å; E684-Q688 PolarHBondContact O-N 2.7Å; K685-Q688 PolarHBondContact O-N 2.85Å; K685-Q688 VanDerWaalsContact O-N 3.16Å; Q688-R691 PolarHBondContact O-N 2.79Å; Q688-M692 HydrophobicContact CG-CE 4.45Å; Q688-M692 WeakPolarHBondContact O-CG 3.3Å; Q688-M692 PolarHBondContact O-N 3.49Å
689	E	90.7	Very high	89.8	Confident	132 Å²	132	88.7 Å²	88.7	62%	0.617	42%	0.416	S	S	*	.	H	α-helix	trans	-61.8	-44.8	172.7	-74.3	177.3	-165.3	0	0	111.8	K685 M692 R693	K685-E689 WeakPolarHBondContact O-CG 3.5Å; K685-E689 PolarHBondContact O-N 3.1Å; E689-M692 PolarHBondContact O-N 3.35Å; E689-R693 WeakPolarHBondContact O-CB 3.35Å; E689-R693 PolarHBondContact O-N 3.33Å
690	E	90.8	Very high	88.3	Confident	74 Å²	74	88 Å²	88	35%	0.346	42%	0.417	S	S	.	.	H	α-helix	trans	-67.9	-35.9	177.1	-176.9	57.7	-162	0	0	112.1	A686 Q687 R693 M694 R697	A686-E690 PolarHBondContact O-N 3.33Å; Q687-E690 PolarHBondContact O-N 3.48Å; E690-R693 CarbonylContact O-C 3.6Å; E690-R693 PolarHBondContact O-N 2.77Å; E690-R693 WeakPolarHBondContact OE2-CD 3.48Å; E690-M694 HydrophobicContact CG-CE 3.98Å; E690-M694 HydrophobicContact CG-CG 4.49Å; E690-M694 WeakPolarHBondContact O-CB 3.36Å; E690-M694 WeakPolarHBondContact O-CG 3.44Å; E690-M694 PolarHBondContact O-N 3.42Å; E690-M694 WeakPolarHBondContact OE1-CE 3.14Å; E690-R697 IonicContact OE1-CZ 2.77Å; E690-R697 IonicContact OE1-NH1 3.04Å; E690-R697 IonicContact OE1-NH2 3.29Å; E690-R697 PolarHBondContact OE1-NH2 2.88Å; E690-R697 IonicContact OE2-NH2 3.91Å
691	R	88.9	Confident	86.5	Confident	103 Å²	103	92.6 Å²	92.6	39%	0.389	45%	0.446	S	S	.	.	H	α-helix	trans	-60.9	-46.8	171.2	-75.3	-175.5	-58.7	-112.7	8.2	111.5	E684 Q687 Q688 R693 M694 E695	E684-R691 IonicContact OE1-CZ 3.73Å; E684-R691 IonicContact OE1-NH1 2.67Å; E684-R691 IonicContact OE1-NH2 2.6Å; E684-R691 PolarHBondContact OE1-NH2 2.95Å; Q687-R691 WeakPolarHBondContact O-CB 3.19Å; Q687-R691 VanDerWaalsContact O-CG 3.3Å; Q687-R691 WeakPolarHBondContact O-CG 3.36Å; Q687-R691 PolarHBondContact O-N 3.28Å; Q688-R691 PolarHBondContact O-N 2.79Å; R691-R693 VanDerWaalsContact C-N 3.34Å; R691-R693 PolarHBondContact O-N 3.46Å; R691-M694 PolarHBondContact O-N 2.87Å; R691-E695 WeakPolarHBondContact O-CB 3.41Å; R691-E695 PolarHBondContact O-N 3.2Å
692	M	87	Confident	84.7	Confident	108 Å²	108	97.6 Å²	97.6	53%	0.532	48%	0.477	S	S	.	.	H	α-helix	trans	-62.3	-40.7	174.3	-71.6	-163.2	-69.8	0	0	111.6	Q688 E689 E695 S696	Q688-M692 HydrophobicContact CG-CE 4.45Å; Q688-M692 WeakPolarHBondContact O-CG 3.3Å; Q688-M692 PolarHBondContact O-N 3.49Å; E689-M692 PolarHBondContact O-N 3.35Å; M692-E695 PolarHBondContact O-N 2.87Å; M692-S696 WeakPolarHBondContact O-CB 3.43Å; M692-S696 PolarHBondContact O-N 3.23Å; M692-S696 PolarHBondContact O-OG 2.89Å
693	R	89.6	Confident	82.5	Confident	163 Å²	163	96.7 Å²	96.7	62%	0.615	48%	0.483	S	S	*	.	H	α-helix	trans	-66.5	-36.4	176.6	-167.5	-173.6	-174.9	131.1	2.6	113.2	E689 E690 R691 R697	E689-R693 WeakPolarHBondContact O-CB 3.35Å; E689-R693 PolarHBondContact O-N 3.33Å; E690-R693 CarbonylContact O-C 3.6Å; E690-R693 PolarHBondContact O-N 2.77Å; E690-R693 WeakPolarHBondContact OE2-CD 3.48Å; R691-R693 VanDerWaalsContact C-N 3.34Å; R691-R693 PolarHBondContact O-N 3.46Å; R693-R697 WeakPolarHBondContact O-CG 3.35Å; R693-R697 PolarHBondContact O-N 3.48Å; R693-R697 VanDerWaalsContact O-N 3.17Å; R693-R697 PolarHBondContact O-NE 3.49Å
694	M	84.9	Confident	80.5	Confident	103 Å²	103	103.2 Å²	103.2	51%	0.507	50%	0.504	S	S	.	.	H	α-helix	trans	-66.3	-44.9	172.6	-76	-171.7	-178.2	0	0	110.6	E690 R691 R697 R698	E690-M694 HydrophobicContact CG-CE 3.98Å; E690-M694 HydrophobicContact CG-CG 4.49Å; E690-M694 WeakPolarHBondContact O-CB 3.36Å; E690-M694 WeakPolarHBondContact O-CG 3.44Å; E690-M694 PolarHBondContact O-N 3.42Å; E690-M694 WeakPolarHBondContact OE1-CE 3.14Å; R691-M694 PolarHBondContact O-N 2.87Å; M694-R697 VanDerWaalsContact CG-NH2 3.33Å; M694-R697 WeakPolarHBondContact O-CB 3.39Å; M694-R697 PolarHBondContact O-N 3.13Å; M694-R698 WeakPolarHBondContact O-CG 3.29Å; M694-R698 PolarHBondContact O-N 3.18Å
695	E	85.1	Confident	78.4	Confident	72 Å²	72	110 Å²	110	34%	0.336	54%	0.541	S	S	.	.	H	α-helix	trans	-68	-41.3	-179.9	-169.9	54.1	-150.4	0	0	112.3	R691 M692 R697 R698 Q699	R691-E695 WeakPolarHBondContact O-CB 3.41Å; R691-E695 PolarHBondContact O-N 3.2Å; M692-E695 PolarHBondContact O-N 2.87Å; E695-R697 VanDerWaalsContact C-N 3.29Å; E695-R697 PolarHBondContact O-N 3.45Å; E695-R698 PolarHBondContact O-N 3.01Å; E695-R698 VanDerWaalsContact O-N 3.1Å; E695-R698 IonicContact OE2-CZ 2.76Å; E695-R698 IonicContact OE2-NH1 3.13Å; E695-R698 PolarHBondContact OE2-NH1 3.08Å; E695-Q699 WeakPolarHBondContact O-CG 3.42Å; E695-Q699 PolarHBondContact O-N 3.28Å; E695-Q699 PolarHBondContact OE1-NE2 3.26Å
696	S	83.7	Confident	76.5	Confident	75 Å²	75	110.9 Å²	110.9	52%	0.524	56%	0.559	S	S	.	*	H	α-helix	trans	-59.7	-37.8	171.1	-58.6	0	0	0	0	112.6	M692 A700	M692-S696 WeakPolarHBondContact O-CB 3.43Å; M692-S696 PolarHBondContact O-N 3.23Å; M692-S696 PolarHBondContact O-OG 2.89Å; S696-A700 WeakPolarHBondContact O-CB 3.49Å; S696-A700 PolarHBondContact O-N 3.09Å
697	R	84.5	Confident	74.6	Confident	120 Å²	120	112.2 Å²	112.2	45%	0.453	58%	0.579	S	S	.	*	H	α-helix	trans	-63.4	-44.4	172.8	-83.3	175	-74	-173.7	-2.7	111.3	E690 R693 M694 E695 A700 T701	E690-R697 IonicContact OE1-CZ 2.77Å; E690-R697 IonicContact OE1-NH1 3.04Å; E690-R697 IonicContact OE1-NH2 3.29Å; E690-R697 PolarHBondContact OE1-NH2 2.88Å; E690-R697 IonicContact OE2-NH2 3.91Å; R693-R697 WeakPolarHBondContact O-CG 3.35Å; R693-R697 PolarHBondContact O-N 3.48Å; R693-R697 VanDerWaalsContact O-N 3.17Å; R693-R697 PolarHBondContact O-NE 3.49Å; M694-R697 VanDerWaalsContact CG-NH2 3.33Å; M694-R697 WeakPolarHBondContact O-CB 3.39Å; M694-R697 PolarHBondContact O-N 3.13Å; E695-R697 VanDerWaalsContact C-N 3.29Å; E695-R697 PolarHBondContact O-N 3.45Å; R697-A700 PolarHBondContact O-N 3.19Å; R697-T701 PolarHBondContact O-N 2.89Å; R697-T701 VanDerWaalsContact O-N 3.12Å; R697-T701 PolarHBondContact O-OG1 3.42Å
698	R	77.9	Confident	72.3	Confident	166 Å²	166	111 Å²	111	63%	0.626	59%	0.593	S	S	*	*	H	α-helix	trans	-62.4	-43.6	178.5	-67.4	169.6	81.7	-150.9	9.5	112	M694 E695 T701 V702	M694-R698 WeakPolarHBondContact O-CG 3.29Å; M694-R698 PolarHBondContact O-N 3.18Å; E695-R698 PolarHBondContact O-N 3.01Å; E695-R698 VanDerWaalsContact O-N 3.1Å; E695-R698 IonicContact OE2-CZ 2.76Å; E695-R698 IonicContact OE2-NH1 3.13Å; E695-R698 PolarHBondContact OE2-NH1 3.08Å; R698-T701 PolarHBondContact O-N 3.38Å; R698-V702 WeakPolarHBondContact O-CG2 3.47Å; R698-V702 PolarHBondContact O-N 3.37Å
699	Q	70.3	Confident	70.2	Confident	122 Å²	122	113.8 Å²	113.8	57%	0.57	62%	0.618	S	S	*	*	H	α-helix	trans	-65.9	-38.2	177.2	-68.4	174.8	10.7	0	0	111.9	E695 T701 V702 S703	E695-Q699 WeakPolarHBondContact O-CG 3.42Å; E695-Q699 PolarHBondContact O-N 3.28Å; E695-Q699 PolarHBondContact OE1-NE2 3.26Å; Q699-T701 VanDerWaalsContact C-N 3.34Å; Q699-T701 PolarHBondContact O-N 3.32Å; Q699-V702 PolarHBondContact O-N 3.25Å; Q699-S703 PolarHBondContact O-N 2.92Å
700	A	65.8	Low	68.4	Low	56 Å²	56	115.6 Å²	115.6	46%	0.463	63%	0.632	S	S	.	*	H	α-helix	trans	-63.2	-35.8	174.2	0	0	0	0	0	113.1	S696 R697 S703	S696-A700 WeakPolarHBondContact O-CB 3.49Å; S696-A700 PolarHBondContact O-N 3.09Å; R697-A700 PolarHBondContact O-N 3.19Å; A700-S703 PolarHBondContact O-N 3.22Å
701	T	61.3	Low	66.4	Low	111 Å²	111	120.2 Å²	120.2	68%	0.681	65%	0.654	S	S	*	*	H	α-helix	trans	-69.5	-30.6	177.6	-34.1	0	0	0	0	113.1	R697 R698 Q699	R697-T701 PolarHBondContact O-N 2.89Å; R697-T701 VanDerWaalsContact O-N 3.12Å; R697-T701 PolarHBondContact O-OG1 3.42Å; R698-T701 PolarHBondContact O-N 3.38Å; Q699-T701 VanDerWaalsContact C-N 3.34Å; Q699-T701 PolarHBondContact O-N 3.32Å
702	V	58.8	Low	64.5	Low	117 Å²	117	119.2 Å²	119.2	71%	0.709	67%	0.667	S	S	*	*	H	α-helix	trans	-78.7	-20.1	-179.4	177.5	0	0	0	0	112.2	R698 Q699 W704	R698-V702 WeakPolarHBondContact O-CG2 3.47Å; R698-V702 PolarHBondContact O-N 3.37Å; Q699-V702 PolarHBondContact O-N 3.25Å; V702-W704 VanDerWaalsContact C-N 3.27Å; V702-W704 PolarHBondContact O-N 3.19Å
703	S	50.4	Low	63.2	Low	97 Å²	97	119.5 Å²	119.5	68%	0.678	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-2.8	-175.5	-170.4	0	0	0	0	115.8	Q699 A700	Q699-S703 PolarHBondContact O-N 2.92Å; A700-S703 PolarHBondContact O-N 3.22Å
704	W	55.1	Low	61.3	Low	230 Å²	230	117.5 Å²	117.5	87%	0.871	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-12.3	-175	-75.6	88.3	0	0	0	114.9	V702 S706	V702-W704 VanDerWaalsContact C-N 3.27Å; V702-W704 PolarHBondContact O-N 3.19Å; W704-S706 VanDerWaalsContact C-N 3.32Å; W704-S706 PolarHBondContact O-N 3.42Å
705	D	50.9	Low	59.2	Low	153 Å²	153	121.8 Å²	121.8	82%	0.818	70%	0.701	S	S	*	*	S	Bend	trans	-93.9	48.2	-173.8	-158.7	17.6	0	0	0	112.7
706	S	54	Low	57.4	Low	116 Å²	116	124.4 Å²	124.4	81%	0.811	72%	0.724	S	S	*	*	S	Bend	trans	-149.9	72	-179.1	-75.2	0	0	0	0	112.8	W704	W704-S706 VanDerWaalsContact C-N 3.32Å; W704-S706 PolarHBondContact O-N 3.42Å
707	G	55.1	Low	55.4	Low	87 Å²	87	126.3 Å²	126.3	90%	0.897	74%	0.738	S	S	*	*	S	Bend	trans	100.1	79.7	158.7	0	0	0	0	0	116.2
708	G	43.6	Very low	53.4	Low	75 Å²	75	131.7 Å²	131.7	77%	0.773	76%	0.758	S	S	*	*			trans	-162	142	167.1	0	0	0	0	0	110
709	S	46.7	Very low	51.9	Low	109 Å²	109	129.5 Å²	129.5	76%	0.762	77%	0.765	S	S	*	*			trans	-57.2	142.7	-169.6	48.3	0	0	0	0	115	E711	S709-E711 VanDerWaalsContact C-N 3.33Å; S709-E711 PolarHBondContact O-N 3.42Å
710	D	53.1	Low	50.2	Low	171 Å²	171	127 Å²	127	91%	0.914	77%	0.772	S	S	*	*			trans	-65.7	81.8	173.2	-170.5	19.4	0	0	0	111.6
711	E	47.1	Very low	48.9	Very low	170 Å²	170	134.6 Å²	134.6	79%	0.794	79%	0.79	S	S	*	*			trans	-129.9	106.7	168.5	-168.8	167.9	-170	0	0	109.8	S709	S709-E711 VanDerWaalsContact C-N 3.33Å; S709-E711 PolarHBondContact O-N 3.42Å
712	A	50.1	Low	47.9	Very low	82 Å²	82	134.8 Å²	134.8	68%	0.678	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-65.2	133.2	-178.2	0	0	0	0	0	111.2
713	P	59.7	Low	47	Very low	114 Å²	114	134.2 Å²	134.2	74%	0.74	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-62.2	138.7	-180	24.8	-33.5	0	0	0	111	K715	P713-K715 PolarHBondContact O-N 2.95Å
714	P	49.2	Very low	46.7	Very low	121 Å²	121	135.7 Å²	135.7	79%	0.786	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-64.2	132.5	-175.4	25.1	-33.7	0	0	0	111.1
715	K	40.2	Very low	45.8	Very low	194 Å²	194	136.5 Å²	136.5	84%	0.843	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-55.9	130	177.6	-73.9	174.9	177.7	169.7	0	110.3	P713 S717	P713-K715 PolarHBondContact O-N 2.95Å; K715-S717 PolarHBondContact O-N 2.9Å
716	P	48.2	Very low	45.1	Very low	126 Å²	126	134.2 Å²	134.2	82%	0.818	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-62.8	127.6	172.6	24.8	-32.4	0	0	0	110.3	R718	P716-R718 PolarHBondContact O-N 3.16Å
717	S	42.2	Very low	44.2	Very low	115 Å²	115	134 Å²	134	80%	0.804	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-60.2	118.9	-179.5	-60.1	0	0	0	0	111.3	K715 P719	K715-S717 PolarHBondContact O-N 2.9Å; S717-P719 WeakPolarHBondContact O-CD 3.47Å
718	R	42.3	Very low	43	Very low	234 Å²	234	139.7 Å²	139.7	88%	0.883	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-64.4	119.8	175.4	-168.5	-176.4	-162.8	-169.4	5.3	109.8	P716 G720	P716-R718 PolarHBondContact O-N 3.16Å; R718-G720 PolarHBondContact O-N 3.03Å
719	P	45	Very low	42.4	Very low	119 Å²	119	139.1 Å²	139.1	77%	0.773	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-59.8	126	170.3	-22.6	34.8	0	0	0	109.4	S717	S717-P719 WeakPolarHBondContact O-CD 3.47Å
720	G	35.2	Very low	41.7	Very low	69 Å²	69	144.1 Å²	144.1	71%	0.711	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-70.2	135.2	-172.5	0	0	0	0	0	112.5	R718 P722	R718-G720 PolarHBondContact O-N 3.03Å; G720-P722 WeakPolarHBondContact O-CD 3.28Å
721	Y	38.3	Very low	40.7	Very low	216 Å²	216	146.5 Å²	146.5	85%	0.847	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-66.5	125.7	156.5	-103.6	-96.6	0	0	0	109
722	P	39.9	Very low	40.4	Very low	115 Å²	115	143.7 Å²	143.7	75%	0.747	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-77.9	133.4	153.2	31.7	-28.7	0	0	0	109	G720	G720-P722 WeakPolarHBondContact O-CD 3.28Å
723	S	40.5	Very low	39.9	Very low	106 Å²	106	145 Å²	145	74%	0.741	80%	0.804	S	S	*	*			trans	-143.4	128.2	158.3	-76.8	0	0	0	0	107.5
724	P	45	Very low	39.3	Very low	128 Å²	128	144.6 Å²	144.6	83%	0.831	80%	0.801	S	S	*	*				-133	156.3	126.5	20	-0.9	0	0	0	113
725	R	35.6	Very low	38.7	Very low	247 Å²	247	146.4 Å²	146.4	93%	0.932	80%	0.799	S	S	*	*			trans	-73.5	139.7	169.4	-70.1	167.6	159	175.9	-7.5	111.3
726	S	35.3	Very low	38.6	Very low	105 Å²	105	144.6 Å²	144.6	73%	0.734	79%	0.793	S	S	*	*			trans	177.3	103	141.7	47.7	0	0	0	0	107.9
727	S	35.9	Very low	37.9	Very low	110 Å²	110	145.4 Å²	145.4	77%	0.769	79%	0.788	S	S	*	*				80.6	89.3	71.7	70.1	0	0	0	0	114.5
728	E	30.6	Very low	37.4	Very low	207 Å²	207	145.7 Å²	145.7	97%	0.967	78%	0.784	S	S	*	*			trans	173.8	136.1	154.4	-101.5	171.4	-162.5	0	0	106.1
729	G	30.7	Very low	36.8	Very low	64 Å²	64	143.6 Å²	143.6	66%	0.66	79%	0.785	S	S	*	*			cis	-172.6	-170.9	-6.6	0	0	0	0	0	110
730	F	31.4	Very low	36.1	Very low	214 Å²	214	143.8 Å²	143.8	94%	0.939	78%	0.784	S	S	*	*			trans	74.8	103.1	168	-69.8	-88.6	0	0	0	121.3
731	Y	31.4	Very low	35.8	Very low	221 Å²	221	148 Å²	148	87%	0.867	79%	0.79	S	S	*	*			trans	-70.3	172.8	136.2	-87.3	-95.6	0	0	0	110.5
732	P	41.7	Very low	35.6	Very low	111 Å²	111	145.2 Å²	145.2	72%	0.721	78%	0.784	S	S	*	*			cis	-127.1	174.2	-6	34.9	-16.9	0	0	0	114.7
733	S	38.8	Very low	35.3	Very low	109 Å²	109	148.2 Å²	148.2	76%	0.762	78%	0.782	S	S	*	*			trans	-63.6	162	162.5	-32.8	0	0	0	0	111.5
734	P	48.2	Very low	35	Very low	105 Å²	105	150.9 Å²	150.9	68%	0.682	78%	0.783	S	S	*	*				-161.8	-171	79.1	42	-19.5	0	0	0	118.1
735	Q	37	Very low	34.3	Very low	160 Å²	160	150.6 Å²	150.6	75%	0.748	78%	0.778	S	S	*	*			trans	74.1	148.3	161.1	-59	167.6	-3.8	0	0	117.2
736	H	37.7	Very low	34.3	Very low	155 Å²	155	144.7 Å²	144.7	72%	0.718	78%	0.775	S	S	*	*			cis	-137.8	177.1	-2.2	-74.6	-88.6	0	0	0	107.4
737	M	33.3	Very low	33.9	Very low	143 Å²	143	143.1 Å²	143.1	70%	0.704	78%	0.775	S	S	*	*			cis	-161.6	149.6	-31.2	-99.4	173.6	59.6	0	0	105
738	V	32	Very low	33.9	Very low	121 Å²	121	148.9 Å²	148.9	73%	0.733	78%	0.782	S	S	*	*			cis	85.3	104.9	21.4	-173.7	0	0	0	0	115.1
739	Q	28.6	Very low	34.9	Very low	191 Å²	191	145 Å²	145	89%	0.893	77%	0.774	S	S	*	*			trans	-141.8	135.9	158.4	-110	-170.4	-0.1	0	0	110.6
740	T	31.2	Very low	34.8	Very low	122 Å²	122	145.3 Å²	145.3	75%	0.748	78%	0.778	S	S	*	*			trans	-147.4	137.2	178.3	-35.7	0	0	0	0	108.7
741	N	29.6	Very low	35	Very low	158 Å²	158	139.9 Å²	139.9	85%	0.845	77%	0.766	S	S	*	*			trans	-151.6	125.3	164.6	-88.6	-29.1	0	0	0	106.8
742	H	34.3	Very low	35.1	Very low	157 Å²	157	138.4 Å²	138.4	73%	0.727	77%	0.767	S	S	*	*				90.1	106	59.7	-100.6	53.4	0	0	0	115.9
743	Y	32.8	Very low	34.5	Very low	178 Å²	178	136.5 Å²	136.5	70%	0.698	77%	0.768	S	S	*	*			trans	81.2	117.2	135.3	-91	-111.3	0	0	0	124.5
744	Q	33.7	Very low	34.3	Very low	163 Å²	163	139 Å²	139	76%	0.762	77%	0.771	S	S	*	*				96	141	121.7	-104.6	-173	-4.2	0	0	126.1
745	V	30	Very low	33.2	Very low	122 Å²	122	140.2 Å²	140.2	74%	0.739	78%	0.777	S	S	*	*			trans	82.9	120.7	145.9	176.4	0	0	0	0	123.4
746	S	35.8	Very low	32.7	Very low	123 Å²	123	136.4 Å²	136.4	86%	0.86	77%	0.772	S	S	*	*			trans	11.4	142.2	141.5	-158.7	0	0	0	0	123.7
747	G	27.3	Very low	32.2	Very low	72 Å²	72	137.5 Å²	137.5	74%	0.742	78%	0.78	S	S	*	*			trans	146.5	112.6	143.6	0	0	0	0	0	118.3
748	Y	35.8	Very low	31.9	Very low	230 Å²	230	135.5 Å²	135.5	90%	0.902	79%	0.786	S	S	*	*			trans	-73.8	170.9	155.2	-93.9	-94.4	0	0	0	110.1
749	P	50.9	Low	31.6	Very low	125 Å²	125	133.5 Å²	133.5	81%	0.812	79%	0.79	S	S	*	*			cis	-142.9	179.6	19.6	41	-21	0	0	0	118.5
750	G	30.4	Very low	31.6	Very low	71 Å²	71	130 Å²	130	73%	0.732	79%	0.786	S	S	*	*			trans	121.7	91.7	133.7	0	0	0	0	0	123.1
751	S	35.1	Very low	31.3	Very low	100 Å²	100	132.1 Å²	132.1	70%	0.699	79%	0.792	S	S	*	*			trans	54.8	142.7	138.1	-134.1	0	0	0	0	127.4
752	H	33.4	Very low	31.4	Very low	191 Å²	191	135.1 Å²	135.1	88%	0.884	79%	0.793	S	S	*	*			trans	70.4	124.8	154.3	-61.1	-51.8	0	0	0	124.1
753	G	29.6	Very low	31.9	Very low	71 Å²	71	133.4 Å²	133.4	73%	0.732	80%	0.795	S	S	*	*				130.1	87.5	118.1	0	0	0	0	0	123.1
754	I	32.7	Very low	31.6	Very low	160 Å²	160	127.9 Å²	127.9	82%	0.821	79%	0.793	S	S	*	*				57	114.7	128	-63.7	-179.3	0	0	0	122.1
755	T	26.3	Very low	31.3	Very low	132 Å²	132	129.9 Å²	129.9	81%	0.81	80%	0.802	S	S	*	*			trans	60.4	156.9	138.9	-30.3	0	0	0	0	117.8
756	A	25.8	Very low	31	Very low	80 Å²	80	128 Å²	128	66%	0.661	80%	0.8	S	S	*	*			cis	-159.6	156.6	25.9	0	0	0	0	0	115.7
757	M	28.5	Very low	30.5	Very low	177 Å²	177	127.3 Å²	127.3	87%	0.872	80%	0.795	S	S	*	*			trans	45.5	129.9	135.1	-70.4	-71.6	-159.9	0	0	124.1
758	A	26.2	Very low	30.4	Very low	102 Å²	102	130.7 Å²	130.7	84%	0.843	80%	0.795	S	S	*	*			trans	79.9	131.5	131.4	0	0	0	0	0	121.5
759	G	24.8	Very low	29.9	Very low	79 Å²	79	127 Å²	127	81%	0.814	79%	0.79	S	S	*	*			trans	169.8	100.4	169.4	0	0	0	0	0	111.1
760	S	28.6	Very low	28.8	Very low	116 Å²	116	128.1 Å²	128.1	81%	0.811	79%	0.789	S	S	*	*			trans	-68.7	159.9	173.2	-64.2	0	0	0	0	111.6
761	I	26.2	Very low	28.4	Very low	167 Å²	167	132.7 Å²	132.7	86%	0.856	79%	0.792	S	S	*	*			trans	167.2	123.7	132.2	-85.4	153.8	0	0	0	110.2
762	Y	30.2	Very low	27.9	Very low	222 Å²	222	133 Å²	133	87%	0.871	79%	0.789	S	S	*	*			trans	-77.5	156.9	158	-89	-87.3	0	0	0	108.6
763	P	45.7	Very low	27.5	Very low	120 Å²	120	130.4 Å²	130.4	78%	0.779	78%	0.782	S	S	*	*			cis	-152.2	176.3	39.2	40.5	-19.1	0	0	0	118.5
764	G	25.6	Very low	27.2	Very low	63 Å²	63	130.9 Å²	130.9	65%	0.649	77%	0.774	S	S	*	*				89.4	103.5	124.4	0	0	0	0	0	122.2
765	Q	28.1	Very low	26.8	Very low	204 Å²	204	133.5 Å²	133.5	95%	0.953	77%	0.774	S	S	*	*			trans	66	152.6	146.8	-60.5	-178.3	-26.5	0	0	117.7
766	A	24.7	Very low	26.9	Very low	83 Å²	83	132.8 Å²	132.8	69%	0.686	77%	0.765	S	S	*	*			cis	-151.7	162.4	6.6	0	0	0	0	0	112
767	S	25.4	Very low	27	Very low	108 Å²	108	136.8 Å²	136.8	76%	0.755	77%	0.77	S	S	*	*			trans	60.1	154.3	148.8	-60.7	0	0	0	0	120.2
768	L	24.2	Very low	26.8	Very low	144 Å²	144	137.2 Å²	137.2	75%	0.754	76%	0.762	S	S	*	*			cis	-166.6	150.8	-14.6	-110.2	167.5	0	0	0	107.1
769	L	25.9	Very low	27.1	Very low	151 Å²	151	137.5 Å²	137.5	79%	0.791	76%	0.755	S	S	*	*			trans	63.8	122.1	165.2	-59.7	154.9	0	0	0	116.2
770	D	26.4	Very low	27.1	Very low	149 Å²	149	141.7 Å²	141.7	80%	0.797	75%	0.753	S	S	*	*			cis	87.2	149.5	34.9	-159.1	23.4	0	0	0	114.9
771	Q	23.8	Very low	26.9	Very low	168 Å²	168	143.2 Å²	143.2	79%	0.785	75%	0.748	S	S	*	*			trans	91.1	134.3	-152.9	-63.6	-174.1	41.3	0	0	113.2
772	T	24.2	Very low	26.7	Very low	105 Å²	105	143.5 Å²	143.5	64%	0.644	75%	0.749	S	S	*	*			cis	-162.1	152.5	9.5	8	0	0	0	0	112.8
773	D	24.1	Very low	26.4	Very low	137 Å²	137	137.3 Å²	137.3	73%	0.733	74%	0.744	S	S	*	*			trans	73	155.3	143.5	-73	-40.8	0	0	0	122.8
774	S	23.8	Very low	25.4	Very low	82 Å²	82	138.2 Å²	138.2	57%	0.573	74%	0.739	S	S	*	*			cis	-177.2	173.1	-34.2	-97.5	0	0	0	0	109.4
775	W	24.6	Very low	25.2	Very low	214 Å²	214	147.4 Å²	147.4	81%	0.811	75%	0.754	S	S	*	*			trans	79.6	111.4	168.9	-56.4	85.5	0	0	0	117.2
776	N	28.2	Very low	25.2	Very low	118 Å²	118	144.2 Å²	144.2	63%	0.631	74%	0.739	S	S	*	*				98.4	137.5	64	-83.9	-34.1	0	0	0	112.1
777	H	27.6	Very low	25.6	Very low	163 Å²	163	146.2 Å²	146.2	76%	0.755	75%	0.746	S	S	*	*			cis	-151.9	159.4	43.3	-86.8	-83.7	0	0	0	117.4
778	R	24.5	Very low	25.5	Very low	186 Å²	186	147.6 Å²	147.6	70%	0.702	75%	0.745	S	S	*	*			trans	-10.6	160.9	151.1	-103.8	-175.8	177.2	-146.3	-10.5	120.8	E781	R778-E781 IonicContact CZ-OE2 3.84Å; R778-E781 IonicContact NH2-OE2 2.87Å; R778-E781 PolarHBondContact NH2-OE2 2.79Å
779	P	33	Very low	25.8	Very low	108 Å²	108	147 Å²	147	70%	0.701	75%	0.746	S	S	*	*				-141	-171.5	53.4	46.7	-29.2	0	0	0	114.2
780	Q	24.2	Very low	25.9	Very low	168 Å²	168	149.2 Å²	149.2	79%	0.785	75%	0.753	S	S	*	*			cis	-156.8	-177.3	-4	-138.8	161.2	-40.7	0	0	111.2
781	E	23.9	Very low	25.9	Very low	148 Å²	148	149.1 Å²	149.1	69%	0.692	75%	0.752	S	S	*	*			trans	-139.8	159.9	175.5	-71.4	167.8	110.8	0	0	112.5	R778	R778-E781 IonicContact CZ-OE2 3.84Å; R778-E781 IonicContact NH2-OE2 2.87Å; R778-E781 PolarHBondContact NH2-OE2 2.79Å
782	I	22.6	Very low	26	Very low	173 Å²	173	145 Å²	145	89%	0.887	74%	0.742	S	S	*	*			trans	-137.4	140.7	162.7	-69.8	-177.2	0	0	0	109.9
783	A	24.4	Very low	26	Very low	91 Å²	91	146 Å²	146	75%	0.752	75%	0.748	S	S	*	*			trans	-132.4	-176.9	176.1	0	0	0	0	0	109.2
784	M	23.3	Very low	26.2	Very low	140 Å²	140	145.5 Å²	145.5	69%	0.69	75%	0.75	S	S	*	*			cis	-164.3	149.8	7.3	-165.9	-176	72.9	0	0	109
785	W	21.5	Very low	26.4	Very low	255 Å²	255	149.9 Å²	149.9	97%	0.966	77%	0.766	S	S	*	*			trans	-147.2	130.4	154	-90.4	95.9	0	0	0	112.9
786	Q	28.2	Very low	26.6	Very low	137 Å²	137	146 Å²	146	64%	0.64	76%	0.761	S	S	*	*			trans	-123.8	175.8	169.5	-75.7	-173.1	-25.5	0	0	108.8
787	P	34.1	Very low	26.6	Very low	126 Å²	126	146.5 Å²	146.5	82%	0.818	76%	0.763	S	S	*	*				-146.7	144.8	109.3	34.5	-17.7	0	0	0	118.2
788	N	23.6	Very low	26.7	Very low	137 Å²	137	149.5 Å²	149.5	73%	0.733	77%	0.768	S	S	*	*			trans	12.3	120.9	152.9	-64.6	4.2	0	0	0	124.5
789	V	30.7	Very low	27.1	Very low	130 Å²	130	144 Å²	144	79%	0.788	77%	0.769	S	S	*	*				26.8	122.6	106.5	-169.7	0	0	0	0	120.3
790	E	27.6	Very low	26.8	Very low	198 Å²	198	147 Å²	147	93%	0.925	78%	0.777	S	S	*	*				-159.4	178	122.5	-116.8	175	-153.3	0	0	111.4
791	D	27.1	Very low	27.7	Very low	147 Å²	147	142.3 Å²	142.3	79%	0.786	77%	0.774	S	S	*	*			trans	-126.2	173.9	-134.3	-172.2	30.8	0	0	0	116.9
792	S	25.8	Very low	27.9	Very low	83 Å²	83	144.4 Å²	144.4	58%	0.58	78%	0.784	S	S	*	*			trans	93.8	111.8	153.3	-77.4	0	0	0	0	123.5
793	T	24.1	Very low	28.6	Very low	124 Å²	124	142.6 Å²	142.6	76%	0.761	78%	0.781	S	S	*	*			trans	86.3	103.9	130	57.7	0	0	0	0	124.6
794	V	28.6	Very low	29.2	Very low	128 Å²	128	145.2 Å²	145.2	78%	0.776	78%	0.781	S	S	*	*				52.6	104.8	116.6	178.8	0	0	0	0	120.8
795	L	26.6	Very low	30	Very low	173 Å²	173	142.6 Å²	142.6	91%	0.906	78%	0.775	S	S	*	*				-176.3	168.9	114.6	-107.2	163.7	0	0	0	112.8
796	D	29.8	Very low	31.1	Very low	134 Å²	134	136 Å²	136	72%	0.717	76%	0.763	S	S	*	*			trans	-118	161.6	-156.4	-171.3	24.3	0	0	0	115.3
797	L	28.4	Very low	31.9	Very low	127 Å²	127	135.7 Å²	135.7	67%	0.665	76%	0.761	S	S	*	*			trans	86.6	133.4	150.2	-133.4	75.9	0	0	0	122.9
798	R	28	Very low	32.5	Very low	227 Å²	227	134.6 Å²	134.6	86%	0.857	75%	0.748	S	S	*	*			trans	86.3	87.9	157.4	-56.6	-162.6	175.6	-166.7	-1.1	120.7
799	G	33.3	Very low	33.5	Very low	70 Å²	70	134.6 Å²	134.6	72%	0.722	75%	0.745	S	S	*	*				59.3	110.9	112.9	0	0	0	0	0	120.7
800	I	27.8	Very low	34.5	Very low	170 Å²	170	133.9 Å²	133.9	87%	0.872	73%	0.733	S	S	*	*			trans	-178	146.6	136	-92.5	150.2	0	0	0	106
801	G	41.9	Very low	35.5	Very low	71 Å²	71	129.7 Å²	129.7	73%	0.732	71%	0.714	S	S	*	*			trans	-68.8	140.4	-173.7	0	0	0	0	0	113.6
802	Q	29.7	Very low	36.8	Very low	192 Å²	192	131.8 Å²	131.8	90%	0.897	71%	0.711	S	S	*	*			trans	-136.5	147.5	162.9	-77.1	-159.1	-14.3	0	0	112.3
803	V	37.3	Very low	37.8	Very low	134 Å²	134	132.5 Å²	132.5	81%	0.812	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-70.4	148.3	176.3	-177.4	0	0	0	0	109.4
804	L	35.4	Very low	39.7	Very low	147 Å²	147	131 Å²	131	77%	0.77	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-56.9	142.1	170.6	-101.8	81.8	0	0	0	110.5	T806	L804-T806 PolarHBondContact O-N 3.35Å
805	P	40.3	Very low	41.1	Very low	84 Å²	84	132.5 Å²	132.5	55%	0.545	69%	0.685	S	S	.	*	P	Polyproline II helix	trans	-58	125.5	-178.8	-24.8	34.2	0	0	0	112.4	H807 L808	P805-H807 PolarHBondContact O-N 3.34Å; P805-H807 VanDerWaalsContact O-N 3.1Å; P805-L808 PolarHBondContact O-N 2.89Å; P805-L808 VanDerWaalsContact O-N 3.12Å
806	T	44.9	Very low	42.1	Very low	117 Å²	117	130.2 Å²	130.2	72%	0.718	67%	0.67	S	S	*	*	H	α-helix	trans	-51.8	-34.7	-180	38.8	0	0	0	0	113.1	L804 L808 M809 E810	L804-T806 PolarHBondContact O-N 3.35Å; T806-L808 VanDerWaalsContact C-N 3.32Å; T806-L808 PolarHBondContact O-N 3.36Å; T806-M809 WeakPolarHBondContact O-CB 3.45Å; T806-M809 PolarHBondContact O-N 3.31Å; T806-E810 PolarHBondContact O-N 2.79Å
807	H	43.9	Very low	43	Very low	130 Å²	130	129 Å²	129	60%	0.602	66%	0.66	S	S	*	*	H	α-helix	trans	-55.8	-38.1	179	-164.8	-80	0	0	0	114	P805 M809 E811	P805-H807 PolarHBondContact O-N 3.34Å; P805-H807 VanDerWaalsContact O-N 3.1Å; H807-M809 VanDerWaalsContact C-N 3.3Å; H807-M809 PolarHBondContact O-N 2.97Å; H807-E811 WeakPolarHBondContact O-CB 3.44Å; H807-E811 PolarHBondContact O-N 2.97Å
808	L	47.1	Very low	44.4	Very low	103 Å²	103	128.6 Å²	128.6	54%	0.539	66%	0.655	S	S	.	*	H	α-helix	trans	-74	-22.5	178.5	-76.3	171.3	0	0	0	112.9	P805 T806 R812	P805-L808 PolarHBondContact O-N 2.89Å; P805-L808 VanDerWaalsContact O-N 3.12Å; T806-L808 VanDerWaalsContact C-N 3.32Å; T806-L808 PolarHBondContact O-N 3.36Å; L808-R812 PolarHBondContact O-N 3.38Å
809	M	45.8	Very low	45.9	Very low	137 Å²	137	122.8 Å²	122.8	68%	0.675	64%	0.637	S	S	*	*	H	α-helix	trans	-83.7	-37.2	176.3	-166.6	162.3	178.6	0	0	110.9	T806 H807 R812 L813	T806-M809 WeakPolarHBondContact O-CB 3.45Å; T806-M809 PolarHBondContact O-N 3.31Å; H807-M809 VanDerWaalsContact C-N 3.3Å; H807-M809 PolarHBondContact O-N 2.97Å; M809-R812 PolarHBondContact O-N 2.94Å; M809-L813 PolarHBondContact O-N 3.47Å
810	E	50.7	Low	47	Very low	116 Å²	116	124.6 Å²	124.6	54%	0.542	63%	0.628	S	S	.	*	H	α-helix	trans	-64.8	-45.2	172.3	-170.6	163.9	-153.7	0	0	111.7	T806 R812 L813 I814	T806-E810 PolarHBondContact O-N 2.79Å; E810-R812 VanDerWaalsContact C-N 3.28Å; E810-R812 PolarHBondContact O-N 2.9Å; E810-L813 PolarHBondContact O-N 3.3Å; E810-L813 VanDerWaalsContact O-N 3.11Å; E810-I814 HydrophobicContact CG-CD1 4.14Å; E810-I814 WeakPolarHBondContact O-CG1 3.3Å; E810-I814 PolarHBondContact O-N 3.25Å
811	E	49.5	Very low	48.2	Very low	110 Å²	110	121 Å²	121	51%	0.514	61%	0.608	S	S	.	*	H	α-helix	trans	-60.1	-37.1	173.9	-168.5	-176.8	171.1	0	0	112.3	H807 R815	H807-E811 WeakPolarHBondContact O-CB 3.44Å; H807-E811 PolarHBondContact O-N 2.97Å; E811-R815 WeakPolarHBondContact O-CB 3.27Å; E811-R815 PolarHBondContact O-N 3.04Å
812	R	54.6	Low	49	Very low	191 Å²	191	123.6 Å²	123.6	72%	0.721	60%	0.601	S	S	*	*	H	α-helix	trans	-67.4	-39.1	173.5	-113	-176.8	-173.9	176.7	5.1	113.2	L808 M809 E810 R815 Q816	L808-R812 PolarHBondContact O-N 3.38Å; M809-R812 PolarHBondContact O-N 2.94Å; E810-R812 VanDerWaalsContact C-N 3.28Å; E810-R812 PolarHBondContact O-N 2.9Å; R812-R815 PolarHBondContact O-N 3.02Å; R812-Q816 WeakPolarHBondContact O-CG 3.27Å; R812-Q816 PolarHBondContact O-N 3.27Å
813	L	46.8	Very low	49.9	Very low	97 Å²	97	119.6 Å²	119.6	51%	0.508	59%	0.585	S	S	.	*	H	α-helix	trans	-67.4	-45	177	-88.2	158.1	0	0	0	111.3	M809 E810 R815 Q816 Q817	M809-L813 PolarHBondContact O-N 3.47Å; E810-L813 PolarHBondContact O-N 3.3Å; E810-L813 VanDerWaalsContact O-N 3.11Å; L813-R815 VanDerWaalsContact C-N 3.29Å; L813-R815 PolarHBondContact O-N 3.41Å; L813-Q816 PolarHBondContact O-N 2.85Å; L813-Q817 WeakPolarHBondContact O-CB 3.43Å; L813-Q817 PolarHBondContact O-N 3.28Å
814	I	62.6	Low	50.3	Low	93 Å²	93	118.3 Å²	118.3	48%	0.477	57%	0.571	S	S	.	*	H	α-helix	trans	-59	-43.1	174.9	-67.7	166.3	0	0	0	110.3	E810 Q817 Q818	E810-I814 HydrophobicContact CG-CD1 4.14Å; E810-I814 WeakPolarHBondContact O-CG1 3.3Å; E810-I814 PolarHBondContact O-N 3.25Å; I814-Q817 PolarHBondContact O-N 3.27Å; I814-Q818 WeakPolarHBondContact O-CG 3.49Å; I814-Q818 PolarHBondContact O-N 3.31Å
815	R	58.1	Low	51.2	Low	160 Å²	160	117.9 Å²	117.9	60%	0.604	56%	0.559	S	S	*	*	H	α-helix	trans	-64.6	-45.9	177.1	-166.5	176.1	-169.7	145.4	6.9	112.8	E811 R812 L813 Q817 Q818 E819	E811-R815 WeakPolarHBondContact O-CB 3.27Å; E811-R815 PolarHBondContact O-N 3.04Å; R812-R815 PolarHBondContact O-N 3.02Å; L813-R815 VanDerWaalsContact C-N 3.29Å; L813-R815 PolarHBondContact O-N 3.41Å; R815-Q817 VanDerWaalsContact C-N 3.27Å; R815-Q817 PolarHBondContact O-N 3.06Å; R815-Q818 PolarHBondContact O-N 3.47Å; R815-E819 IonicContact NE-OE1 2.77Å; R815-E819 WeakPolarHBondContact O-CG 3.45Å; R815-E819 PolarHBondContact O-N 3.31Å
816	Q	47.1	Very low	52.3	Low	125 Å²	125	120.6 Å²	120.6	58%	0.584	56%	0.558	S	S	*	*	H	α-helix	trans	-62.9	-33.4	174.6	-78.4	-171.8	-25.1	0	0	112.6	R812 L813 M820	R812-Q816 WeakPolarHBondContact O-CG 3.27Å; R812-Q816 PolarHBondContact O-N 3.27Å; L813-Q816 PolarHBondContact O-N 2.85Å; Q816-M820 WeakPolarHBondContact O-CB 3.2Å; Q816-M820 PolarHBondContact O-N 2.91Å
817	Q	49.9	Very low	52.1	Low	109 Å²	109	120 Å²	120	51%	0.509	55%	0.551	S	S	.	*	H	α-helix	trans	-73.1	-37.5	177.9	-170.2	145.4	10.3	0	0	112.1	L813 I814 R815 M820 E821	L813-Q817 WeakPolarHBondContact O-CB 3.43Å; L813-Q817 PolarHBondContact O-N 3.28Å; I814-Q817 PolarHBondContact O-N 3.27Å; R815-Q817 VanDerWaalsContact C-N 3.27Å; R815-Q817 PolarHBondContact O-N 3.06Å; Q817-M820 HydrophobicContact CG-CE 4.02Å; Q817-M820 PolarHBondContact O-N 3.07Å; Q817-E821 WeakPolarHBondContact O-CG 3.49Å; Q817-E821 PolarHBondContact O-N 3.19Å
818	Q	57.8	Low	52.4	Low	118 Å²	118	117.8 Å²	117.8	55%	0.551	54%	0.54	S	S	*	.	H	α-helix	trans	-64.6	-44.4	170.5	-74.4	180	-11.3	0	0	112.2	I814 R815 M820 E821 E822	I814-Q818 WeakPolarHBondContact O-CG 3.49Å; I814-Q818 PolarHBondContact O-N 3.31Å; R815-Q818 PolarHBondContact O-N 3.47Å; Q818-M820 VanDerWaalsContact C-N 3.31Å; Q818-M820 PolarHBondContact O-N 2.71Å; Q818-E821 PolarHBondContact O-N 2.9Å; Q818-E822 PolarHBondContact O-N 2.88Å
819	E	58.6	Low	52.4	Low	104 Å²	104	119 Å²	119	49%	0.486	54%	0.541	S	S	.	.	H	α-helix	trans	-59.9	-41	175.4	-72.8	168.7	-173.3	0	0	111.1	R815 E822 D823	R815-E819 IonicContact NE-OE1 2.77Å; R815-E819 WeakPolarHBondContact O-CG 3.45Å; R815-E819 PolarHBondContact O-N 3.31Å; E819-E822 PolarHBondContact O-N 2.82Å; E819-D823 PolarHBondContact O-N 3.21Å
820	M	56.6	Low	52.5	Low	109 Å²	109	116.3 Å²	116.3	54%	0.537	53%	0.527	S	S	.	.	H	α-helix	trans	-65	-39.7	174.5	-179.9	177.7	61.6	0	0	113.4	Q816 Q817 Q818 D823 Q824	Q816-M820 WeakPolarHBondContact O-CB 3.2Å; Q816-M820 PolarHBondContact O-N 2.91Å; Q817-M820 HydrophobicContact CG-CE 4.02Å; Q817-M820 PolarHBondContact O-N 3.07Å; Q818-M820 VanDerWaalsContact C-N 3.31Å; Q818-M820 PolarHBondContact O-N 2.71Å; M820-D823 PolarHBondContact O-N 3.4Å; M820-Q824 WeakPolarHBondContact O-CB 3.39Å; M820-Q824 PolarHBondContact O-N 3.27Å
821	E	54.1	Low	52.1	Low	93 Å²	93	115.7 Å²	115.7	44%	0.435	52%	0.524	S	S	.	.	H	α-helix	trans	-69.8	-31.3	175.2	-76.3	-176.5	-171.1	0	0	112.8	Q817 Q818 R825	Q817-E821 WeakPolarHBondContact O-CG 3.49Å; Q817-E821 PolarHBondContact O-N 3.19Å; Q818-E821 PolarHBondContact O-N 2.9Å; E821-R825 WeakPolarHBondContact O-CB 3.48Å; E821-R825 VanDerWaalsContact O-CG 3.27Å; E821-R825 WeakPolarHBondContact O-CG 3.21Å; E821-R825 PolarHBondContact O-N 3.19Å; E821-R825 PolarHBondContact O-NE 3.04Å; E821-R825 VanDerWaalsContact O-NE 3.07Å
822	E	57.2	Low	51.9	Low	126 Å²	126	119 Å²	119	59%	0.589	53%	0.532	S	S	*	.	H	α-helix	trans	-68.9	-45.3	171.4	-72.6	-170.5	168.8	0	0	111.8	Q818 E819 Q824 R825 W826	Q818-E822 PolarHBondContact O-N 2.88Å; E819-E822 PolarHBondContact O-N 2.82Å; E822-Q824 VanDerWaalsContact C-N 3.35Å; E822-Q824 PolarHBondContact O-N 3.08Å; E822-R825 VanDerWaalsContact CG-NH2 3.26Å; E822-R825 PolarHBondContact O-N 3.35Å; E822-W826 WeakPolarHBondContact O-CB 3.26Å; E822-W826 PolarHBondContact O-N 3.02Å
823	D	49.6	Very low	51.1	Low	108 Å²	108	117.4 Å²	117.4	58%	0.578	53%	0.53	S	S	*	.	H	α-helix	trans	-60.5	-41.4	173.1	-97.9	5.7	0	0	0	111.8	E819 M820 W826 L827	E819-D823 PolarHBondContact O-N 3.21Å; M820-D823 PolarHBondContact O-N 3.4Å; D823-W826 WeakPolarHBondContact O-CB 3.2Å; D823-W826 PolarHBondContact O-N 3.4Å; D823-L827 WeakPolarHBondContact O-CB 3.35Å; D823-L827 VanDerWaalsContact O-CG 3.28Å; D823-L827 WeakPolarHBondContact O-CG 3.43Å; D823-L827 PolarHBondContact O-N 3.29Å
824	Q	45.8	Very low	50.5	Low	108 Å²	108	119.2 Å²	119.2	51%	0.505	54%	0.54	S	S	.	.	H	α-helix	trans	-66	-43	176.6	-176	169.8	-18.4	0	0	112.1	M820 E822 W826 L827 E828	M820-Q824 WeakPolarHBondContact O-CB 3.39Å; M820-Q824 PolarHBondContact O-N 3.27Å; E822-Q824 VanDerWaalsContact C-N 3.35Å; E822-Q824 PolarHBondContact O-N 3.08Å; Q824-W826 VanDerWaalsContact C-N 3.27Å; Q824-W826 PolarHBondContact O-N 3.02Å; Q824-L827 PolarHBondContact O-N 3.4Å; Q824-E828 WeakPolarHBondContact O-CG 3.31Å; Q824-E828 PolarHBondContact O-N 3.37Å
825	R	54.5	Low	49.2	Very low	138 Å²	138	121.5 Å²	121.5	52%	0.521	55%	0.546	S	S	.	.	H	α-helix	trans	-65	-31.6	174.2	-74.8	178.3	-66.4	-146.4	3.8	112.4	E821 E822 K829	E821-R825 WeakPolarHBondContact O-CB 3.48Å; E821-R825 VanDerWaalsContact O-CG 3.27Å; E821-R825 WeakPolarHBondContact O-CG 3.21Å; E821-R825 PolarHBondContact O-N 3.19Å; E821-R825 PolarHBondContact O-NE 3.04Å; E821-R825 VanDerWaalsContact O-NE 3.07Å; E822-R825 VanDerWaalsContact CG-NH2 3.26Å; E822-R825 PolarHBondContact O-N 3.35Å; R825-K829 WeakPolarHBondContact O-CB 3.33Å; R825-K829 PolarHBondContact O-N 2.6Å
826	W	62.3	Low	48.2	Very low	140 Å²	140	119.4 Å²	119.4	53%	0.53	55%	0.553	S	S	.	*	H	α-helix	trans	-68.6	-47.6	172.8	-174.3	87.8	0	0	0	111.2	E822 D823 Q824 E828 K829 E830	E822-W826 WeakPolarHBondContact O-CB 3.26Å; E822-W826 PolarHBondContact O-N 3.02Å; D823-W826 WeakPolarHBondContact O-CB 3.2Å; D823-W826 PolarHBondContact O-N 3.4Å; Q824-W826 VanDerWaalsContact C-N 3.27Å; Q824-W826 PolarHBondContact O-N 3.02Å; W826-E828 PolarHBondContact O-N 3.45Å; W826-K829 WeakPolarHBondContact O-CB 3.41Å; W826-K829 PolarHBondContact O-N 2.87Å; W826-K829 VanDerWaalsContact O-N 3.08Å; W826-E830 HydrophobicContact CH2-CG 4.22Å; W826-E830 HydrophobicContact CZ2-CG 4.43Å; W826-E830 PolarHBondContact O-N 2.88Å
827	L	41.9	Very low	47.2	Very low	106 Å²	106	120.9 Å²	120.9	56%	0.555	57%	0.565	S	S	*	*	H	α-helix	trans	-60.3	-44	176.1	-72.9	167.6	0	0	0	112.6	D823 Q824 K829 E830 E831	D823-L827 WeakPolarHBondContact O-CB 3.35Å; D823-L827 VanDerWaalsContact O-CG 3.28Å; D823-L827 WeakPolarHBondContact O-CG 3.43Å; D823-L827 PolarHBondContact O-N 3.29Å; Q824-L827 PolarHBondContact O-N 3.4Å; L827-K829 PolarHBondContact O-N 3.42Å; L827-E830 PolarHBondContact O-N 2.96Å; L827-E831 WeakPolarHBondContact O-CB 3.28Å; L827-E831 PolarHBondContact O-N 3.45Å
828	E	49.9	Very low	46.5	Very low	82 Å²	82	121.9 Å²	121.9	38%	0.383	58%	0.579	S	S	.	*	H	α-helix	trans	-65	-25	175	-77.9	-174.5	-159	0	0	113.6	Q824 W826 R832	Q824-E828 WeakPolarHBondContact O-CG 3.31Å; Q824-E828 PolarHBondContact O-N 3.37Å; W826-E828 PolarHBondContact O-N 3.45Å; E828-R832 VanDerWaalsContact O-CG 3.29Å; E828-R832 WeakPolarHBondContact O-CG 3.31Å; E828-R832 PolarHBondContact O-NE 3.27Å; E828-R832 IonicContact OE2-NH2 2.67Å; E828-R832 PolarHBondContact OE2-NH2 3.23Å
829	K	46.4	Very low	45.3	Very low	129 Å²	129	127 Å²	127	56%	0.561	59%	0.593	S	S	*	*	H	α-helix	trans	-79.6	-41.4	174.9	-172.5	-179.7	179.1	-174.6	0	110.3	R825 W826 L827 R832 F833	R825-K829 WeakPolarHBondContact O-CB 3.33Å; R825-K829 PolarHBondContact O-N 2.6Å; W826-K829 WeakPolarHBondContact O-CB 3.41Å; W826-K829 PolarHBondContact O-N 2.87Å; W826-K829 VanDerWaalsContact O-N 3.08Å; L827-K829 PolarHBondContact O-N 3.42Å; K829-R832 WeakPolarHBondContact O-CB 3.47Å; K829-R832 PolarHBondContact O-N 3.5Å; K829-F833 HydrophobicContact CG-CE2 4.18Å; K829-F833 WeakPolarHBondContact O-CD2 3.49Å; K829-F833 PolarHBondContact O-N 2.85Å
830	E	47.8	Very low	44	Very low	80 Å²	80	130 Å²	130	37%	0.374	61%	0.612	S	S	.	*	H	α-helix	trans	-67.5	-37.8	176.9	-145.4	69.4	177.1	0	0	111.8	W826 L827 R832 F833 L834	W826-E830 HydrophobicContact CH2-CG 4.22Å; W826-E830 HydrophobicContact CZ2-CG 4.43Å; W826-E830 PolarHBondContact O-N 2.88Å; L827-E830 PolarHBondContact O-N 2.96Å; E830-R832 PolarHBondContact O-N 3.3Å; E830-F833 PolarHBondContact O-N 3.46Å; E830-L834 PolarHBondContact O-N 3.41Å
831	E	42.5	Very low	42.6	Very low	103 Å²	103	130.6 Å²	130.6	48%	0.481	63%	0.626	S	S	.	*	H	α-helix	trans	-63.3	-29.9	174.4	-157.4	-158	139	0	0	112.4	L827 F833 L834 K835	L827-E831 WeakPolarHBondContact O-CB 3.28Å; L827-E831 PolarHBondContact O-N 3.45Å; E831-F833 VanDerWaalsContact C-N 3.31Å; E831-L834 PolarHBondContact O-N 3.19Å; E831-K835 WeakPolarHBondContact OE1-CE 3.44Å; E831-K835 IonicContact OE1-NZ 3.98Å; E831-K835 PolarHBondContact OE1-NZ 3.04Å
832	R	45.4	Very low	41.5	Very low	179 Å²	179	138.6 Å²	138.6	68%	0.675	65%	0.652	S	S	*	*	H	α-helix	trans	-70.9	-24.8	173.4	-69.8	171.9	-137.3	-150.7	1.1	112.8	E828 K829 E830	E828-R832 VanDerWaalsContact O-CG 3.29Å; E828-R832 WeakPolarHBondContact O-CG 3.31Å; E828-R832 PolarHBondContact O-NE 3.27Å; E828-R832 IonicContact OE2-NH2 2.67Å; E828-R832 PolarHBondContact OE2-NH2 3.23Å; K829-R832 WeakPolarHBondContact O-CB 3.47Å; K829-R832 PolarHBondContact O-N 3.5Å; E830-R832 PolarHBondContact O-N 3.3Å
833	F	37.5	Very low	40.2	Very low	158 Å²	158	136.3 Å²	136.3	69%	0.693	66%	0.663	S	S	*	*	H	α-helix	trans	-83.2	-13.4	172.6	-72.7	-70.2	0	0	0	113.5	K829 E830 E831	K829-F833 HydrophobicContact CG-CE2 4.18Å; K829-F833 WeakPolarHBondContact O-CD2 3.49Å; K829-F833 PolarHBondContact O-N 2.85Å; E830-F833 PolarHBondContact O-N 3.46Å; E831-F833 VanDerWaalsContact C-N 3.31Å
834	L	35.4	Very low	39.1	Very low	136 Å²	136	137.1 Å²	137.1	71%	0.712	68%	0.677	S	S	*	*	S	Bend	trans	-94.3	1.1	-177.2	-75.1	164.2	0	0	0	114.8	E830 E831	E830-L834 PolarHBondContact O-N 3.41Å; E831-L834 PolarHBondContact O-N 3.19Å
835	K	35.7	Very low	38.5	Very low	140 Å²	140	138.9 Å²	138.9	61%	0.609	69%	0.688	S	S	*	*	S	Bend	trans	-101.7	115.3	176.8	-72.5	175.8	-175.7	160.2	0	110.8	E831 D837	E831-K835 WeakPolarHBondContact OE1-CE 3.44Å; E831-K835 IonicContact OE1-NZ 3.98Å; E831-K835 PolarHBondContact OE1-NZ 3.04Å; K835-D837 PolarHBondContact O-N 3.44Å
836	P	35.4	Very low	37.3	Very low	116 Å²	116	138.9 Å²	138.9	75%	0.753	70%	0.698	S	S	*	*			trans	-69.7	125.8	174.7	-16.3	30.4	0	0	0	111.2	V838	P836-V838 PolarHBondContact O-N 3.03Å
837	D	27.5	Very low	35.8	Very low	156 Å²	156	142.7 Å²	142.7	83%	0.834	71%	0.713	S	S	*	*			trans	-75.7	108	174.8	-128.3	-28.7	0	0	0	109.9	K835	K835-D837 PolarHBondContact O-N 3.44Å
838	V	35	Very low	35.1	Very low	131 Å²	131	146.1 Å²	146.1	79%	0.794	73%	0.726	S	S	*	*			trans	-106.1	77.1	179.6	-173.6	0	0	0	0	110.8	P836	P836-V838 PolarHBondContact O-N 3.03Å
839	R	31.7	Very low	34.1	Very low	226 Å²	226	150.1 Å²	150.1	85%	0.853	75%	0.75	S	S	*	*			trans	-146.1	113.9	157.9	-62.1	-178	177.8	179.6	-0.5	104.6
840	L	31.1	Very low	33.2	Very low	167 Å²	167	146.6 Å²	146.6	87%	0.874	75%	0.75	S	S	*	*			cis	-144	154.8	39.9	-62.6	137.1	0	0	0	107.6
841	S	27.7	Very low	32.1	Very low	120 Å²	120	147.9 Å²	147.9	84%	0.839	77%	0.768	S	S	*	*				-168	152.1	62.3	-68.8	0	0	0	0	111.2
842	R	31.3	Very low	31.5	Very low	262 Å²	262	150.4 Å²	150.4	99%	0.989	78%	0.784	S	S	*	*			trans	-146.3	130.4	170	-164.5	178.4	-175.6	-172.2	0.9	110.1
843	G	29.1	Very low	30.7	Very low	78 Å²	78	150.7 Å²	150.7	80%	0.804	79%	0.793	S	S	*	*			trans	124.4	135.7	-174.3	0	0	0	0	0	110.4
844	S	26.7	Very low	30.2	Very low	124 Å²	124	146.6 Å²	146.6	87%	0.867	80%	0.795	S	S	*	*			cis	-139.5	170.5	6.9	-166.2	0	0	0	0	111.9
845	I	32.6	Very low	30.9	Very low	146 Å²	146	145.9 Å²	145.9	75%	0.749	80%	0.799	S	S	*	*			trans	-98.7	163.9	177.1	-66	168.3	0	0	0	110.3
846	D	29.7	Very low	30.6	Very low	137 Å²	137	147.7 Å²	147.7	73%	0.733	81%	0.813	S	S	*	*			trans	114.1	110.3	163.2	-70.4	-45.4	0	0	0	114.6
847	R	31.6	Very low	30.1	Very low	220 Å²	220	145.5 Å²	145.5	83%	0.83	81%	0.812	S	S	*	*				81	101.2	75.5	-105.4	-173.7	165.2	-160.2	-4.6	113.3
848	E	27.8	Very low	30.1	Very low	179 Å²	179	145.1 Å²	145.1	84%	0.836	81%	0.81	S	S	*	*				174.8	140.2	109.7	-98.6	-175.7	174.5	0	0	114.6
849	D	28.6	Very low	29.8	Very low	165 Å²	165	145.9 Å²	145.9	88%	0.882	81%	0.805	S	S	*	*			trans	51.8	158.1	140.9	-131.9	-8.1	0	0	0	125.5
850	G	26.5	Very low	29.6	Very low	56 Å²	56	142.6 Å²	142.6	58%	0.577	80%	0.799	S	S	*	*			trans	110.1	67.6	144.2	0	0	0	0	0	122.4
851	S	26.2	Very low	29.5	Very low	107 Å²	107	140.5 Å²	140.5	75%	0.748	79%	0.787	S	S	*	*			trans	45	128.7	134.5	64.4	0	0	0	0	125.1
852	L	30	Very low	29.4	Very low	156 Å²	156	145.4 Å²	145.4	82%	0.817	79%	0.789	S	S	*	*			trans	78.7	137.8	131.7	-75.4	167.6	0	0	0	124.5
853	Q	27.6	Very low	29.2	Very low	184 Å²	184	141.2 Å²	141.2	86%	0.86	78%	0.78	S	S	*	*			trans	74.9	119.7	150.7	-73.3	179.6	2.2	0	0	122.8
854	G	26.5	Very low	29.9	Very low	72 Å²	72	142.6 Å²	142.6	74%	0.742	78%	0.776	S	S	*	*				109.8	129.9	115.8	0	0	0	0	0	118.1
855	P	51.4	Low	29.8	Very low	121 Å²	121	143.7 Å²	143.7	79%	0.786	78%	0.776	S	S	*	*			trans	-103.8	169.6	-177.4	40.3	-34.8	0	0	0	114.1
856	I	28.4	Very low	29.5	Very low	178 Å²	178	140 Å²	140	91%	0.913	78%	0.775	S	S	*	*			trans	166.3	153.5	145.3	-88.6	152	0	0	0	109.4
857	G	26	Very low	29.6	Very low	70 Å²	70	143.2 Å²	143.2	72%	0.722	78%	0.782	S	S	*	*			trans	129.7	46.7	142.7	0	0	0	0	0	122.1
858	N	27.2	Very low	29.6	Very low	148 Å²	148	138.9 Å²	138.9	79%	0.791	78%	0.783	S	S	*	*			trans	-11.5	150	151.3	-117.2	-6.2	0	0	0	122.5
859	Q	27.2	Very low	29.6	Very low	148 Å²	148	137.6 Å²	137.6	69%	0.692	78%	0.781	S	S	*	*			trans	95	123.4	143.9	-70.3	-177.3	8.7	0	0	124.4
860	H	28.5	Very low	30.1	Very low	156 Å²	156	135.4 Å²	135.4	72%	0.722	78%	0.776	S	S	*	*				53	150.9	126.8	-64.2	-40.6	0	0	0	121.8
861	I	27.8	Very low	30.1	Very low	123 Å²	123	137.5 Å²	137.5	63%	0.631	79%	0.788	S	S	*	*			cis	-170.1	174.1	-9.6	-116.7	168.6	0	0	0	108.9
862	Y	27.6	Very low	30.3	Very low	223 Å²	223	136.9 Å²	136.9	88%	0.875	79%	0.79	S	S	*	*			trans	89.7	115.6	162.8	-82	-55.5	0	0	0	122.7
863	Q	25.4	Very low	31.1	Very low	174 Å²	174	135 Å²	135	81%	0.813	79%	0.787	S	S	*	*			trans	-78	-176.2	140.8	-74.5	-172.1	-17.2	0	0	109.7
864	P	43.5	Very low	31.3	Very low	108 Å²	108	132.7 Å²	132.7	70%	0.701	79%	0.787	S	S	*	*			cis	-148.1	-165.2	18.5	34	-6.6	0	0	0	118.1
865	V	26.4	Very low	31.4	Very low	146 Å²	146	139.1 Å²	139.1	89%	0.885	80%	0.795	S	S	*	*			trans	79.7	135.1	165.2	-164.3	0	0	0	0	115.8
866	G	25.6	Very low	30.7	Very low	69 Å²	69	143.1 Å²	143.1	71%	0.711	80%	0.8	S	S	*	*			cis	-169.5	175.3	-0.9	0	0	0	0	0	112.3
867	K	31	Very low	31	Very low	205 Å²	205	140.3 Å²	140.3	89%	0.891	79%	0.794	S	S	*	*			trans	-73	163.7	-174.3	-53.4	-175.8	174.4	-173.2	0	113.7
868	P	31.5	Very low	31.6	Very low	129 Å²	129	142.9 Å²	142.9	84%	0.838	80%	0.797	S	S	*	*				-144.9	157.3	87.6	38	-21.7	0	0	0	117.1
869	D	27.8	Very low	32.1	Very low	151 Å²	151	147 Å²	147	81%	0.807	80%	0.802	S	S	*	*			trans	-104.6	159.2	153.8	-106.6	-43.4	0	0	0	106.5
870	P	40.1	Very low	32.5	Very low	119 Å²	119	146 Å²	146	77%	0.773	81%	0.808	S	S	*	*				-156.7	-174.6	52.3	42.7	-21	0	0	0	118.9
871	A	26.4	Very low	32.4	Very low	101 Å²	101	142.8 Å²	142.8	84%	0.835	82%	0.817	S	S	*	*			trans	98.9	143.3	145.8	0	0	0	0	0	120.5
872	A	30.3	Very low	32.4	Very low	94 Å²	94	141.5 Å²	141.5	78%	0.777	82%	0.824	S	S	*	*			trans	-132.1	-176.3	179	0	0	0	0	0	109
873	P	47	Very low	33.3	Very low	117 Å²	117	137.5 Å²	137.5	76%	0.76	83%	0.826	S	S	*	*			cis	-123	175.8	-42.5	37.2	-24.5	0	0	0	111.8
874	P	32.4	Very low	33.5	Very low	134 Å²	134	132.2 Å²	132.2	87%	0.87	82%	0.818	S	S	*	*			trans	-137.7	175.7	146.3	28.3	-8.8	0	0	0	116
875	K	28.6	Very low	32.9	Very low	208 Å²	208	135.9 Å²	135.9	90%	0.904	83%	0.825	S	S	*	*			trans	-88.9	163.7	-167.5	-63.2	171.6	178.1	174	0	114.5
876	K	35.2	Very low	33	Very low	204 Å²	204	136.8 Å²	136.8	89%	0.887	82%	0.824	S	S	*	*			trans	-48.9	152.1	171.3	-64.2	178.3	174.6	177.1	0	113.9
877	P	35.1	Very low	33.1	Very low	120 Å²	120	137 Å²	137	78%	0.779	83%	0.827	S	S	*	*				-151.8	-159.3	84.5	44.3	-25.8	0	0	0	112.8
878	P	39.8	Very low	32.9	Very low	123 Å²	123	132.7 Å²	132.7	80%	0.799	82%	0.822	S	S	*	*			cis	-125.2	-171.4	-20.9	35.3	-15.9	0	0	0	114.1
879	R	36	Very low	32.7	Very low	236 Å²	236	133.9 Å²	133.9	89%	0.891	82%	0.821	S	S	*	*			trans	-130	143.2	166	178.4	-158.2	-98.1	-167.2	-4.6	108.7
880	P	37.3	Very low	32.7	Very low	127 Å²	127	130.6 Å²	130.6	83%	0.825	81%	0.814	S	S	*	*			trans	-114.3	150.1	165.4	35.6	-25.4	0	0	0	113.8
881	G	25.6	Very low	32	Very low	87 Å²	87	129.7 Å²	129.7	90%	0.897	81%	0.811	S	S	*	*			trans	144.6	89.3	170.2	0	0	0	0	0	115.2
882	A	28.5	Very low	31.9	Very low	96 Å²	96	132.8 Å²	132.8	79%	0.793	81%	0.813	S	S	*	*			trans	-144.2	162.4	168.6	0	0	0	0	0	108.1
883	P	45.4	Very low	31.5	Very low	140 Å²	140	133.3 Å²	133.3	91%	0.909	81%	0.81	S	S	*	*				-144.1	172.9	72.9	35.8	-16.5	0	0	0	114.7
884	G	29.1	Very low	30.6	Very low	62 Å²	62	132.9 Å²	132.9	64%	0.639	81%	0.81	S	S	*	*			cis	171.6	158.3	-8.1	0	0	0	0	0	113.3
885	H	31.9	Very low	31.4	Very low	185 Å²	185	132.3 Å²	132.3	86%	0.856	81%	0.807	S	S	*	*			trans	63.6	151.9	168.3	-66.2	-65.1	0	0	0	118.9
886	L	29.3	Very low	31.2	Very low	165 Å²	165	126.8 Å²	126.8	86%	0.864	80%	0.8	S	S	*	*			cis	-160.9	161.4	-4.6	-124.1	161.7	0	0	0	109.8
887	G	26.6	Very low	30.8	Very low	74 Å²	74	124.7 Å²	124.7	76%	0.763	80%	0.798	S	S	*	*			trans	134	128.1	163.8	0	0	0	0	0	114.2
888	S	27.8	Very low	30.3	Very low	114 Å²	114	124.7 Å²	124.7	80%	0.797	80%	0.801	S	S	*	*			trans	-128.4	170.2	-164.2	-159.7	0	0	0	0	114.7
889	L	27.3	Very low	29.6	Very low	154 Å²	154	128.5 Å²	128.5	81%	0.806	80%	0.801	S	S	*	*			trans	89.1	114.8	152.8	-78	159.7	0	0	0	121.7
890	A	26.8	Very low	29.2	Very low	82 Å²	82	124 Å²	124	68%	0.678	80%	0.795	S	S	*	*				70	154.2	123.7	0	0	0	0	0	121.1
891	S	26	Very low	28.7	Very low	100 Å²	100	127.4 Å²	127.4	70%	0.699	80%	0.8	S	S	*	*			cis	-177.8	169	-21.4	-82.7	0	0	0	0	108
892	L	24.6	Very low	28.9	Very low	166 Å²	166	126.7 Å²	126.7	87%	0.869	79%	0.792	S	S	*	*			trans	67.9	160.5	161.3	-60.6	162.5	0	0	0	116.4
893	S	22.1	Very low	28.7	Very low	105 Å²	105	129 Å²	129	73%	0.734	80%	0.796	S	S	*	*			cis	-167.3	169.9	-27	51.5	0	0	0	0	109.1
894	S	26.5	Very low	28	Very low	108 Å²	108	131.9 Å²	131.9	76%	0.755	79%	0.794	S	S	*	*			trans	-60.3	-175.3	175.3	-32.7	0	0	0	0	114.3
895	P	50.2	Low	27.9	Very low	122 Å²	122	137.1 Å²	137.1	79%	0.792	81%	0.807	S	S	*	*			cis	-144.1	-162.2	2.8	39.1	-15.9	0	0	0	116.1
896	A	24.2	Very low	27.6	Very low	92 Å²	92	137 Å²	137	76%	0.76	81%	0.807	S	S	*	*			trans	101.7	152.9	145.7	0	0	0	0	0	121.4
897	D	26.9	Very low	27.5	Very low	160 Å²	160	135.2 Å²	135.2	86%	0.856	81%	0.805	S	S	*	*			trans	-63.9	156	-168	-45.6	-78.2	0	0	0	116.8
898	S	24.4	Very low	27.6	Very low	120 Å²	120	140.6 Å²	140.6	84%	0.839	81%	0.81	S	S	*	*				179.9	173.5	121.2	-159	0	0	0	0	113.2
899	Y	24.8	Very low	27.5	Very low	204 Å²	204	144.5 Å²	144.5	80%	0.8	82%	0.816	S	S	*	*			trans	-86	162.8	-167.8	-83.6	-109.4	0	0	0	116.4
900	N	27.9	Very low	27.5	Very low	141 Å²	141	145 Å²	145	75%	0.754	82%	0.817	S	S	*	*			trans	37.3	121.9	145.7	-65.9	-15.1	0	0	0	120.4
901	E	26	Very low	27.5	Very low	199 Å²	199	146 Å²	146	93%	0.93	82%	0.819	S	S	*	*				-166.7	154.8	86.9	-98.6	-166.1	144.1	0	0	110.3
902	G	30.3	Very low	27.7	Very low	72 Å²	72	146.5 Å²	146.5	74%	0.742	82%	0.82	S	S	*	*			trans	-107.4	159.3	-172.7	0	0	0	0	0	114.2
903	V	24.2	Very low	28.1	Very low	144 Å²	144	143.9 Å²	143.9	87%	0.873	81%	0.814	S	S	*	*			trans	-142.5	143.7	154.7	170.3	0	0	0	0	109.5
904	K	30.8	Very low	28.7	Very low	200 Å²	200	145.1 Å²	145.1	87%	0.87	82%	0.819	S	S	*	*			trans	-47.8	136.8	177.7	-64.3	167.2	175.8	173.5	0	113.4
905	L	28.1	Very low	29	Very low	172 Å²	172	146.2 Å²	146.2	90%	0.901	82%	0.821	S	S	*	*			trans	-114.2	133.1	158.4	-75.8	170.2	0	0	0	110.1
906	Q	24.3	Very low	28.3	Very low	183 Å²	183	144.1 Å²	144.1	86%	0.855	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-74.7	148.3	171.9	-68	172.7	-22.6	0	0	110	Q908	Q906-Q908 PolarHBondContact O-N 3.31Å
907	P	28.5	Very low	29.2	Very low	128 Å²	128	148.1 Å²	148.1	83%	0.831	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-70.5	120.5	170.1	29.2	-32.1	0	0	0	110.1
908	Q	27.3	Very low	30.1	Very low	186 Å²	186	146.1 Å²	146.1	87%	0.869	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-73.4	139.1	166.5	-85.1	-175.6	-39.1	0	0	110.5	Q906	Q906-Q908 PolarHBondContact O-N 3.31Å
909	E	26.2	Very low	31.1	Very low	196 Å²	196	147 Å²	147	92%	0.916	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-65.7	130.9	175.4	-65.4	178.8	122.3	0	0	111.4
910	I	28.5	Very low	32.5	Very low	164 Å²	164	142.6 Å²	142.6	84%	0.841	79%	0.789	S	S	*	*			trans	-96.7	103.5	168.6	-55.7	175.6	0	0	0	107.3
911	S	25.9	Very low	33.5	Very low	103 Å²	103	140.6 Å²	140.6	72%	0.72	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-73	131	175.1	54.5	0	0	0	0	110.9
912	P	31.1	Very low	34.4	Very low	111 Å²	111	138.7 Å²	138.7	72%	0.721	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-72.5	149.1	175.9	29.5	-34	0	0	0	111.1
913	P	31.1	Very low	35.9	Very low	112 Å²	112	138.4 Å²	138.4	73%	0.727	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-66.4	147.4	178.8	27.9	-34.6	0	0	0	111.6	T915	P913-T915 PolarHBondContact O-N 2.89Å
914	P	34.8	Very low	36.8	Very low	131 Å²	131	139 Å²	139	85%	0.851	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-68	124.9	-172.5	27.1	-34.5	0	0	0	111.8
915	T	34.6	Very low	37.5	Very low	130 Å²	130	134.4 Å²	134.4	80%	0.798	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-80.8	147.7	169.7	35	0	0	0	0	110.9	P913	P913-T915 PolarHBondContact O-N 2.89Å
916	A	35.1	Very low	38.5	Very low	79 Å²	79	131.8 Å²	131.8	65%	0.653	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-60.5	139.5	-174	0	0	0	0	0	112.8	L918	A916-L918 PolarHBondContact O-N 3.48Å
917	N	41.6	Very low	39.6	Very low	175 Å²	175	129.6 Å²	129.6	94%	0.936	71%	0.712	S	S	*	*			trans	-65.5	90	173.1	-79.4	-30.4	0	0	0	110.7
918	L	46.8	Very low	40.6	Very low	119 Å²	119	129.2 Å²	129.2	62%	0.623	70%	0.703	S	S	*	*			trans	-87.2	131.8	155.3	-76.1	93.6	0	0	0	108.2	A916 R920	A916-L918 PolarHBondContact O-N 3.48Å; L918-R920 HydrophobicContact CB-CG 4.36Å; L918-R920 PolarHBondContact O-N 2.99Å
919	D	46	Very low	41.6	Very low	139 Å²	139	123.1 Å²	123.1	74%	0.743	68%	0.679	S	S	*	*			trans	-62.2	119.7	163.9	-179.4	3.5	0	0	0	108.9	S921	D919-S921 VanDerWaalsContact OD1-CB 3.27Å; D919-S921 WeakPolarHBondContact OD1-CB 3.32Å; D919-S921 PolarHBondContact OD1-N 3.24Å; D919-S921 PolarHBondContact OD1-OG 3.23Å
920	R	54.2	Low	42.9	Very low	110 Å²	110	115.7 Å²	115.7	42%	0.415	65%	0.647	S	S	.	*			trans	-121.1	20.1	-179.9	-65.3	-171.9	-168.6	179.2	4.6	112.5	L918 N922 D923 Y926	L918-R920 HydrophobicContact CB-CG 4.36Å; L918-R920 PolarHBondContact O-N 2.99Å; R920-N922 PolarHBondContact O-N 3.22Å; R920-D923 HydrophobicContact CB-CB 4.23Å; R920-D923 PolarHBondContact O-N 3.18Å; R920-Y926 VanDerWaalsContact NH1-CE2 3.3Å
921	S	49	Very low	43.9	Very low	100 Å²	100	109.8 Å²	109.8	70%	0.699	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	-12.4	-175.6	-54.2	0	0	0	0	115	D919	D919-S921 VanDerWaalsContact OD1-CB 3.27Å; D919-S921 WeakPolarHBondContact OD1-CB 3.32Å; D919-S921 PolarHBondContact OD1-N 3.24Å; D919-S921 PolarHBondContact OD1-OG 3.23Å
922	N	43.8	Very low	44.8	Very low	159 Å²	159	108.3 Å²	108.3	85%	0.85	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121	6.7	177.5	-75.8	-50	0	0	0	114.4	R920 K924	R920-N922 PolarHBondContact O-N 3.22Å; N922-K924 PolarHBondContact O-N 3.48Å
923	D	61.4	Low	45.8	Very low	66 Å²	66	105.7 Å²	105.7	35%	0.353	59%	0.591	S	S	.	*			trans	-84.4	77.3	-179.9	-167.6	-12.4	0	0	0	112	R920 V925 Y926 E927	R920-D923 HydrophobicContact CB-CB 4.23Å; R920-D923 PolarHBondContact O-N 3.18Å; D923-V925 PolarHBondContact O-N 2.78Å; D923-V925 VanDerWaalsContact O-N 3.16Å; D923-V925 WeakPolarHBondContact OD1-CB 3.28Å; D923-V925 PolarHBondContact OD1-N 3.08Å; D923-V925 VanDerWaalsContact OD1-N 3.1Å; D923-Y926 VanDerWaalsContact CG-CB 3.43Å; D923-Y926 PolarHBondContact O-N 2.85Å; D923-Y926 VanDerWaalsContact O-N 3.13Å; D923-Y926 PolarHBondContact OD1-N 3.2Å; D923-Y926 WeakPolarHBondContact OD2-CB 3.49Å; D923-E927 PolarHBondContact O-N 3.33Å
924	K	43.3	Very low	46.6	Very low	155 Å²	155	107.2 Å²	107.2	67%	0.674	59%	0.587	S	S	*	*	H	α-helix	trans	-57.7	-23.8	174.6	-70.7	-175.3	174.8	-178.1	0	113.6	N922 N928	N922-K924 PolarHBondContact O-N 3.48Å; K924-N928 VanDerWaalsContact O-CB 3.3Å; K924-N928 WeakPolarHBondContact O-CB 3.35Å; K924-N928 PolarHBondContact O-N 3.2Å; K924-N928 VanDerWaalsContact O-N 3.08Å; K924-N928 PolarHBondContact O-ND2 3.46Å; K924-N928 VanDerWaalsContact O-ND2 3.13Å
925	V	46.2	Very low	47.2	Very low	105 Å²	105	103 Å²	103	64%	0.636	56%	0.563	S	S	*	*	H	α-helix	trans	-74.1	-45.2	177.6	-177.8	0	0	0	0	109.1	D923 N928 V929	D923-V925 PolarHBondContact O-N 2.78Å; D923-V925 VanDerWaalsContact O-N 3.16Å; D923-V925 WeakPolarHBondContact OD1-CB 3.28Å; D923-V925 PolarHBondContact OD1-N 3.08Å; D923-V925 VanDerWaalsContact OD1-N 3.1Å; V925-N928 PolarHBondContact O-N 3.35Å; V925-V929 HydrophobicContact CG1-CG2 4.37Å; V925-V929 WeakPolarHBondContact O-CB 3.49Å; V925-V929 VanDerWaalsContact O-CG2 3.26Å; V925-V929 WeakPolarHBondContact O-CG2 3.27Å; V925-V929 PolarHBondContact O-N 3.19Å
926	Y	48.8	Very low	47.8	Very low	117 Å²	117	99.1 Å²	99.1	46%	0.459	54%	0.539	S	S	.	.	H	α-helix	trans	-62.8	-41.8	174.9	-175	-106.4	0	0	0	112.6	R920 D923 T930	R920-Y926 VanDerWaalsContact NH1-CE2 3.3Å; D923-Y926 VanDerWaalsContact CG-CB 3.43Å; D923-Y926 PolarHBondContact O-N 2.85Å; D923-Y926 VanDerWaalsContact O-N 3.13Å; D923-Y926 PolarHBondContact OD1-N 3.2Å; D923-Y926 WeakPolarHBondContact OD2-CB 3.49Å; Y926-T930 WeakPolarHBondContact O-CB 3.46Å; Y926-T930 PolarHBondContact O-N 3.49Å; Y926-T930 PolarHBondContact O-OG1 2.68Å
927	E	48.1	Very low	48.7	Very low	137 Å²	137	100.2 Å²	100.2	64%	0.64	53%	0.533	S	S	*	.	H	α-helix	trans	-60.9	-50.8	173.9	-77	-162.6	127.8	0	0	112.3	D923 V929 T930 G931	D923-E927 PolarHBondContact O-N 3.33Å; E927-V929 PolarHBondContact O-N 3.23Å; E927-T930 PolarHBondContact O-N 2.92Å; E927-G931 PolarHBondContact O-N 3.28Å
928	N	48.9	Very low	49	Very low	120 Å²	120	97.2 Å²	97.2	64%	0.642	51%	0.513	S	S	*	.	H	α-helix	trans	-62.3	-43	-178.4	-73.2	-21	0	0	0	112.2	K924 V925 G931 L932	K924-N928 VanDerWaalsContact O-CB 3.3Å; K924-N928 WeakPolarHBondContact O-CB 3.35Å; K924-N928 PolarHBondContact O-N 3.2Å; K924-N928 VanDerWaalsContact O-N 3.08Å; K924-N928 PolarHBondContact O-ND2 3.46Å; K924-N928 VanDerWaalsContact O-ND2 3.13Å; V925-N928 PolarHBondContact O-N 3.35Å; N928-G931 PolarHBondContact O-N 2.85Å; N928-L932 WeakPolarHBondContact O-CB 3.35Å; N928-L932 PolarHBondContact O-N 3.08Å
929	V	49	Very low	49	Very low	58 Å²	58	95.8 Å²	95.8	35%	0.352	50%	0.504	S	S	.	.	H	α-helix	trans	-67.6	-41.7	177.7	172.4	0	0	0	0	111.1	V925 E927 G931 L932 V933	V925-V929 HydrophobicContact CG1-CG2 4.37Å; V925-V929 WeakPolarHBondContact O-CB 3.49Å; V925-V929 VanDerWaalsContact O-CG2 3.26Å; V925-V929 WeakPolarHBondContact O-CG2 3.27Å; V925-V929 PolarHBondContact O-N 3.19Å; E927-V929 PolarHBondContact O-N 3.23Å; V929-G931 VanDerWaalsContact C-N 3.33Å; V929-G931 PolarHBondContact O-N 3.04Å; V929-L932 PolarHBondContact O-N 2.84Å; V929-V933 WeakPolarHBondContact O-CG2 3.3Å; V929-V933 PolarHBondContact O-N 3.21Å
930	T	52	Low	49	Very low	40 Å²	40	91.6 Å²	91.6	25%	0.245	49%	0.486	C	S	.	.	H	α-helix	trans	-67.7	-35.3	177.1	-54.9	0	0	0	0	111.6	Y926 E927 K934	Y926-T930 WeakPolarHBondContact O-CB 3.46Å; Y926-T930 PolarHBondContact O-N 3.49Å; Y926-T930 PolarHBondContact O-OG1 2.68Å; E927-T930 PolarHBondContact O-N 2.92Å; T930-K934 HydrophobicContact CG2-CD 4.5Å; T930-K934 WeakPolarHBondContact O-CB 3.32Å; T930-K934 WeakPolarHBondContact O-CG 3.43Å; T930-K934 PolarHBondContact O-N 3.03Å
931	G	50.1	Low	48.5	Very low	39 Å²	39	90.5 Å²	90.5	40%	0.402	50%	0.495	S	S	.	.	H	α-helix	trans	-63.7	-45.4	172.7	0	0	0	0	0	112.5	E927 N928 V929 K934 A935	E927-G931 PolarHBondContact O-N 3.28Å; N928-G931 PolarHBondContact O-N 2.85Å; V929-G931 VanDerWaalsContact C-N 3.33Å; V929-G931 PolarHBondContact O-N 3.04Å; G931-K934 PolarHBondContact O-N 3.44Å; G931-A935 PolarHBondContact O-N 3.39Å
932	L	45.8	Very low	48.2	Very low	72 Å²	72	92.6 Å²	92.6	38%	0.377	49%	0.491	S	S	.	.	H	α-helix	trans	-61.1	-46.8	175.6	-174.5	65.9	0	0	0	111.7	N928 V929 K934 A935 V936 A1005	N928-L932 WeakPolarHBondContact O-CB 3.35Å; N928-L932 PolarHBondContact O-N 3.08Å; V929-L932 PolarHBondContact O-N 2.84Å; L932-K934 PolarHBondContact O-N 2.88Å; L932-A935 PolarHBondContact O-N 3.45Å; L932-V936 WeakPolarHBondContact O-CG2 3.45Å; L932-V936 PolarHBondContact O-N 3.34Å; L932-A1005 HydrophobicContact CD2-CB 4.41Å
933	V	50.3	Low	48.3	Very low	56 Å²	56	89.6 Å²	89.6	34%	0.339	47%	0.474	S	S	.	.	H	α-helix	trans	-61.8	-41.9	177.4	170.7	0	0	0	0	111.5	V929 V936 I937	V929-V933 WeakPolarHBondContact O-CG2 3.3Å; V929-V933 PolarHBondContact O-N 3.21Å; V933-V936 PolarHBondContact O-N 3.21Å; V933-I937 HydrophobicContact CG1-CD1 3.78Å; V933-I937 VanDerWaalsContact O-CG1 3.32Å; V933-I937 WeakPolarHBondContact O-CG1 3.49Å; V933-I937 PolarHBondContact O-N 3.46Å
934	K	48.9	Very low	47.2	Very low	145 Å²	145	94.9 Å²	94.9	63%	0.63	50%	0.497	S	S	*	.	H	α-helix	trans	-61.3	-44.3	174.4	-78.1	176.3	177.8	-179.6	0	112.2	T930 G931 L932 V936 I937 E938	T930-K934 HydrophobicContact CG2-CD 4.5Å; T930-K934 WeakPolarHBondContact O-CB 3.32Å; T930-K934 WeakPolarHBondContact O-CG 3.43Å; T930-K934 PolarHBondContact O-N 3.03Å; G931-K934 PolarHBondContact O-N 3.44Å; L932-K934 PolarHBondContact O-N 2.88Å; K934-V936 PolarHBondContact O-N 3.39Å; K934-I937 PolarHBondContact O-N 3.01Å; K934-E938 WeakPolarHBondContact O-CB 3.27Å; K934-E938 PolarHBondContact O-N 3.26Å
935	A	47.3	Very low	47.5	Very low	42 Å²	42	93.5 Å²	93.5	35%	0.347	50%	0.504	S	S	.	.	H	α-helix	trans	-62.2	-41	178.1	0	0	0	0	0	112.3	G931 L932 E938 M939	G931-A935 PolarHBondContact O-N 3.39Å; L932-A935 PolarHBondContact O-N 3.45Å; A935-E938 PolarHBondContact O-N 3.37Å; A935-M939 WeakPolarHBondContact O-CG 3.34Å; A935-M939 PolarHBondContact O-N 3.49Å
936	V	47.1	Very low	47	Very low	49 Å²	49	91.5 Å²	91.5	30%	0.297	50%	0.498	S	S	.	.	H	α-helix	trans	-65	-42.2	176.8	171.3	0	0	0	0	111.7	L932 V933 K934 M939 S940	L932-V936 WeakPolarHBondContact O-CG2 3.45Å; L932-V936 PolarHBondContact O-N 3.34Å; V933-V936 PolarHBondContact O-N 3.21Å; K934-V936 PolarHBondContact O-N 3.39Å; V936-M939 PolarHBondContact O-N 3.16Å; V936-S940 PolarHBondContact O-N 3.05Å
937	I	53	Low	47.1	Very low	102 Å²	102	90.5 Å²	90.5	52%	0.523	51%	0.506	S	S	.	.	H	α-helix	trans	-67.3	-39.1	177	-66.9	167.3	0	0	0	111.4	V933 K934 S940 S941	V933-I937 HydrophobicContact CG1-CD1 3.78Å; V933-I937 VanDerWaalsContact O-CG1 3.32Å; V933-I937 WeakPolarHBondContact O-CG1 3.49Å; V933-I937 PolarHBondContact O-N 3.46Å; K934-I937 PolarHBondContact O-N 3.01Å; I937-S940 PolarHBondContact O-N 3.16Å; I937-S940 PolarHBondContact O-OG 3.03Å; I937-S940 VanDerWaalsContact O-OG 3.08Å; I937-S941 PolarHBondContact O-N 2.81Å; I937-S941 VanDerWaalsContact O-N 3.1Å; I937-S941 PolarHBondContact O-OG 3.39Å
938	E	48.7	Very low	47	Very low	112 Å²	112	89.5 Å²	89.5	52%	0.523	51%	0.512	S	S	.	.	H	α-helix	trans	-68.4	-33.3	175.8	-160.1	-168.6	150.4	0	0	112.3	K934 A935 S941 K942	K934-E938 WeakPolarHBondContact O-CB 3.27Å; K934-E938 PolarHBondContact O-N 3.26Å; A935-E938 PolarHBondContact O-N 3.37Å; E938-S941 PolarHBondContact O-OG 2.63Å; E938-K942 WeakPolarHBondContact O-CG 3.33Å; E938-K942 WeakPolarHBondContact OE1-CE 3.37Å; E938-K942 IonicContact OE1-NZ 2.97Å; E938-K942 PolarHBondContact OE1-NZ 2.99Å
939	M	47.3	Very low	47.2	Very low	89 Å²	89	92.9 Å²	92.9	44%	0.438	52%	0.523	S	S	.	.	H	α-helix	trans	-68.2	-43.9	171.1	-75.2	-173.9	-174.5	0	0	111.7	A935 V936 S941 K942 L1009 I1012	A935-M939 WeakPolarHBondContact O-CG 3.34Å; A935-M939 PolarHBondContact O-N 3.49Å; V936-M939 PolarHBondContact O-N 3.16Å; M939-S941 VanDerWaalsContact C-N 3.31Å; M939-S941 PolarHBondContact O-N 2.87Å; M939-K942 PolarHBondContact O-N 3.31Å; M939-L1009 HydrophobicContact CE-CD2 4.24Å; M939-I1012 HydrophobicContact SD-CD1 4.2Å
940	S	45.8	Very low	47.2	Very low	51 Å²	51	93.6 Å²	93.6	36%	0.357	52%	0.523	S	S	.	.	H	α-helix	trans	-67	-30.1	-179	70.1	0	0	0	0	113.5	V936 I937 K942	V936-S940 PolarHBondContact O-N 3.05Å; I937-S940 PolarHBondContact O-N 3.16Å; I937-S940 PolarHBondContact O-OG 3.03Å; I937-S940 VanDerWaalsContact O-OG 3.08Å; S940-K942 VanDerWaalsContact C-N 3.3Å; S940-K942 PolarHBondContact O-N 3.3Å
941	S	44.3	Very low	46.9	Very low	86 Å²	86	99.7 Å²	99.7	60%	0.601	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-12.7	179.6	63.9	0	0	0	0	114.5	I937 E938 M939	I937-S941 PolarHBondContact O-N 2.81Å; I937-S941 VanDerWaalsContact O-N 3.1Å; I937-S941 PolarHBondContact O-OG 3.39Å; E938-S941 PolarHBondContact O-OG 2.63Å; M939-S941 VanDerWaalsContact C-N 3.31Å; M939-S941 PolarHBondContact O-N 2.87Å
942	K	41.2	Very low	46.8	Very low	144 Å²	144	102.7 Å²	102.7	63%	0.626	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	2.1	179.1	-70.5	175.8	-172.9	170.6	0	114.2	E938 M939 S940 Q944	E938-K942 WeakPolarHBondContact O-CG 3.33Å; E938-K942 WeakPolarHBondContact OE1-CE 3.37Å; E938-K942 IonicContact OE1-NZ 2.97Å; E938-K942 PolarHBondContact OE1-NZ 2.99Å; M939-K942 PolarHBondContact O-N 3.31Å; S940-K942 VanDerWaalsContact C-N 3.3Å; S940-K942 PolarHBondContact O-N 3.3Å; K942-Q944 PolarHBondContact O-N 3.4Å
943	I	46.6	Very low	47	Very low	97 Å²	97	101.7 Å²	101.7	50%	0.497	55%	0.551	S	S	.	*			trans	-89.9	97.6	178.4	-55.5	176.8	0	0	0	109.3	M954	I943-M954 HydrophobicContact CG2-CE 4.2Å
944	Q	38.6	Very low	46.9	Very low	176 Å²	176	103.5 Å²	103.5	82%	0.822	56%	0.557	S	S	*	*			trans	-107.1	154.5	162.9	-85.3	-162.2	11.1	0	0	110.3	K942	K942-Q944 PolarHBondContact O-N 3.4Å
945	P	48.9	Very low	47.1	Very low	127 Å²	127	99.1 Å²	99.1	83%	0.825	54%	0.542	S	S	*	.			trans	-77.2	132.9	-157.4	29.3	-35.6	0	0	0	113.9
946	A	36.1	Very low	47.4	Very low	63 Å²	63	103.3 Å²	103.3	52%	0.521	55%	0.552	S	S	.	*			trans	-107.5	168.8	171.7	0	0	0	0	0	111.1
947	P	50.4	Low	47.9	Very low	96 Å²	96	102.7 Å²	102.7	62%	0.623	55%	0.547	S	S	*	.			trans	-64.9	163.9	-171	-21.8	34.6	0	0	0	115.1	E949	P947-E949 PolarHBondContact O-N 3.23Å
948	P	47.3	Very low	48	Very low	116 Å²	116	102.4 Å²	102.4	75%	0.753	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	19.6	-165.3	31.5	-37	0	0	0	116.3
949	E	51.8	Low	48.3	Very low	190 Å²	190	103.4 Å²	103.4	89%	0.888	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-7.8	177.2	-66.5	176.1	176.2	0	0	112.5	P947	P947-E949 PolarHBondContact O-N 3.23Å
950	E	50	Low	48.9	Very low	73 Å²	73	100.4 Å²	100.4	34%	0.341	54%	0.539	S	S	.	.			trans	-109.5	23.7	-179.7	-70.5	-178.2	-145.6	0	0	114.7	V952 P953 M1019	E950-V952 VanDerWaalsContact C-N 3.34Å; E950-V952 PolarHBondContact O-N 3.42Å; E950-P953 WeakPolarHBondContact O-CD 3.39Å; E950-M1019 WeakPolarHBondContact OE1-CE 3.36Å
951	Y	45.8	Very low	49.4	Very low	169 Å²	169	100.7 Å²	100.7	66%	0.663	54%	0.535	S	S	*	.	H	α-helix	trans	-65.7	-31.5	-173.4	-140.5	-91.4	0	0	0	114.2	V955	Y951-V955 HydrophobicContact CD1-CG2 3.72Å; Y951-V955 HydrophobicContact CE1-CG2 3.79Å; Y951-V955 WeakPolarHBondContact O-CG2 3.47Å; Y951-V955 PolarHBondContact O-N 2.9Å; Y951-V955 VanDerWaalsContact O-N 3.12Å
952	V	47	Very low	50.4	Low	102 Å²	102	102.7 Å²	102.7	62%	0.618	53%	0.533	S	S	*	.	H	α-helix	trans	-72.3	-44.1	-174.4	179.2	0	0	0	0	113.3	E950 K956	E950-V952 VanDerWaalsContact C-N 3.34Å; E950-V952 PolarHBondContact O-N 3.42Å; V952-K956 PolarHBondContact O-N 2.96Å
953	P	51.4	Low	51.5	Low	51 Å²	51	100 Å²	100	33%	0.331	53%	0.525	S	S	.	.	H	α-helix	trans	-59.3	-44.1	169.4	-26.2	34.3	0	0	0	113.4	E950 V955 K956 I957	E950-P953 WeakPolarHBondContact O-CD 3.39Å; P953-V955 PolarHBondContact O-N 2.96Å; P953-K956 PolarHBondContact O-N 3.43Å; P953-I957 WeakPolarHBondContact O-CG1 3.36Å; P953-I957 PolarHBondContact O-N 3.46Å
954	M	47.7	Very low	52.4	Low	94 Å²	94	96.1 Å²	96.1	46%	0.463	51%	0.505	S	S	.	.	H	α-helix	trans	-61.4	-45.3	-178.9	-74.5	-171	70.7	0	0	112.5	I943 K956 I957 E958	I943-M954 HydrophobicContact CG2-CE 4.2Å; M954-K956 VanDerWaalsContact C-N 3.3Å; M954-K956 PolarHBondContact O-N 2.85Å; M954-I957 PolarHBondContact O-N 3.36Å; M954-E958 WeakPolarHBondContact O-CB 3.45Å; M954-E958 PolarHBondContact O-N 2.95Å
955	V	53	Low	53.8	Low	53 Å²	53	92.4 Å²	92.4	32%	0.321	49%	0.491	S	S	.	.	H	α-helix	trans	-63.4	-35.6	177.3	172.6	0	0	0	0	111.9	Y951 P953 M959	Y951-V955 HydrophobicContact CD1-CG2 3.72Å; Y951-V955 HydrophobicContact CE1-CG2 3.79Å; Y951-V955 WeakPolarHBondContact O-CG2 3.47Å; Y951-V955 PolarHBondContact O-N 2.9Å; Y951-V955 VanDerWaalsContact O-N 3.12Å; P953-V955 PolarHBondContact O-N 2.96Å; V955-M959 HydrophobicContact CG1-SD 4.44Å; V955-M959 WeakPolarHBondContact O-CB 3.22Å; V955-M959 WeakPolarHBondContact O-CG 3.37Å; V955-M959 PolarHBondContact O-N 3.49Å
956	K	53.9	Low	54.8	Low	130 Å²	130	90 Å²	90	57%	0.565	48%	0.477	S	S	*	.	H	α-helix	trans	-66.6	-41.3	174.1	-74.3	-173.5	176.3	-168.5	0	112.4	V952 P953 M954 A960	V952-K956 PolarHBondContact O-N 2.96Å; P953-K956 PolarHBondContact O-N 3.43Å; M954-K956 VanDerWaalsContact C-N 3.3Å; M954-K956 PolarHBondContact O-N 2.85Å; K956-A960 VanDerWaalsContact O-CB 3.32Å; K956-A960 WeakPolarHBondContact O-CB 3.49Å; K956-A960 PolarHBondContact O-N 3.31Å
957	I	57.3	Low	56.5	Low	36 Å²	36	88.4 Å²	88.4	19%	0.185	46%	0.46	C	S	.	.	H	α-helix	trans	-65	-44.5	175.8	-69	165.9	0	0	0	110.2	P953 M954 A960 Q961 L1008 V1011 I1012	P953-I957 WeakPolarHBondContact O-CG1 3.36Å; P953-I957 PolarHBondContact O-N 3.46Å; M954-I957 PolarHBondContact O-N 3.36Å; I957-A960 PolarHBondContact O-N 3.28Å; I957-Q961 VanDerWaalsContact O-CB 3.25Å; I957-Q961 WeakPolarHBondContact O-CB 3.35Å; I957-Q961 PolarHBondContact O-N 2.9Å; I957-L1008 HydrophobicContact CG2-CD1 4.34Å; I957-V1011 HydrophobicContact CG1-CG1 4.33Å; I957-I1012 HydrophobicContact CD1-CG1 4.35Å; I957-I1012 HydrophobicContact CG1-CG1 4.37Å
958	E	54.8	Low	57.2	Low	95 Å²	95	86 Å²	86	44%	0.444	44%	0.441	S	S	.	.	H	α-helix	trans	-65	-40.6	178.3	-162.6	-163.3	152.9	0	0	112.3	M954 Q961 K962	M954-E958 WeakPolarHBondContact O-CB 3.45Å; M954-E958 PolarHBondContact O-N 2.95Å; E958-Q961 PolarHBondContact O-N 3.08Å; E958-K962 WeakPolarHBondContact O-CG 3.29Å; E958-K962 PolarHBondContact O-N 3.36Å; E958-K962 WeakPolarHBondContact OE1-CE 3.37Å; E958-K962 IonicContact OE1-NZ 2.68Å; E958-K962 PolarHBondContact OE1-NZ 3.01Å
959	M	55.1	Low	58.1	Low	133 Å²	133	81.8 Å²	81.8	66%	0.655	42%	0.419	S	S	*	.	H	α-helix	trans	-65.2	-45.6	174.4	-80.6	-172.4	157.8	0	0	112.3	V955 Q961 K962 L963	V955-M959 HydrophobicContact CG1-SD 4.44Å; V955-M959 WeakPolarHBondContact O-CB 3.22Å; V955-M959 WeakPolarHBondContact O-CG 3.37Å; V955-M959 PolarHBondContact O-N 3.49Å; M959-Q961 VanDerWaalsContact C-N 3.32Å; M959-Q961 PolarHBondContact O-N 2.97Å; M959-K962 PolarHBondContact O-N 3.45Å; M959-L963 PolarHBondContact O-N 2.85Å
960	A	59	Low	59	Low	27 Å²	27	77.5 Å²	77.5	22%	0.223	40%	0.399	C	S	.	.	H	α-helix	trans	-64.8	-36	176.4	0	0	0	0	0	112	K956 I957 L963 L964 L1008	K956-A960 VanDerWaalsContact O-CB 3.32Å; K956-A960 WeakPolarHBondContact O-CB 3.49Å; K956-A960 PolarHBondContact O-N 3.31Å; I957-A960 PolarHBondContact O-N 3.28Å; A960-L963 WeakPolarHBondContact O-CB 3.25Å; A960-L963 PolarHBondContact O-N 3.22Å; A960-L964 WeakPolarHBondContact O-CB 3.39Å; A960-L964 WeakPolarHBondContact O-CG 3.31Å; A960-L964 PolarHBondContact O-N 3.27Å; A960-L1008 HydrophobicContact CB-CB 4.45Å; A960-L1008 HydrophobicContact CB-CD1 3.82Å
961	Q	57	Low	60	Low	56 Å²	56	74.5 Å²	74.5	26%	0.262	39%	0.385	S	S	.	.	H	α-helix	trans	-67.3	-36.4	173.7	-167.9	179.3	9.9	0	0	112.3	I957 E958 M959 N965	I957-Q961 VanDerWaalsContact O-CB 3.25Å; I957-Q961 WeakPolarHBondContact O-CB 3.35Å; I957-Q961 PolarHBondContact O-N 2.9Å; E958-Q961 PolarHBondContact O-N 3.08Å; M959-Q961 VanDerWaalsContact C-N 3.32Å; M959-Q961 PolarHBondContact O-N 2.97Å; Q961-N965 WeakPolarHBondContact O-CB 3.41Å; Q961-N965 VanDerWaalsContact O-CG 3.32Å; Q961-N965 PolarHBondContact O-N 2.78Å; Q961-N965 PolarHBondContact O-ND2 3.21Å
962	K	65	Low	61.1	Low	128 Å²	128	69.9 Å²	69.9	56%	0.557	37%	0.371	S	S	*	.	H	α-helix	trans	-66.4	-38.8	171.7	-76.4	172.8	-173.4	167.8	0	112.3	E958 M959 N965 S966	E958-K962 WeakPolarHBondContact O-CG 3.29Å; E958-K962 PolarHBondContact O-N 3.36Å; E958-K962 WeakPolarHBondContact OE1-CE 3.37Å; E958-K962 IonicContact OE1-NZ 2.68Å; E958-K962 PolarHBondContact OE1-NZ 3.01Å; M959-K962 PolarHBondContact O-N 3.45Å; K962-N965 PolarHBondContact O-N 3.07Å; K962-S966 PolarHBondContact O-N 2.95Å; K962-S966 VanDerWaalsContact O-N 3.14Å
963	L	65	Low	62.4	Low	88 Å²	88	69.2 Å²	69.2	46%	0.461	36%	0.364	S	S	.	.	H	α-helix	trans	-60.4	-55.3	174	-153.4	89.2	0	0	0	110.3	M959 A960 N965 S966 D967 D1004	M959-L963 PolarHBondContact O-N 2.85Å; A960-L963 WeakPolarHBondContact O-CB 3.25Å; A960-L963 PolarHBondContact O-N 3.22Å; L963-N965 VanDerWaalsContact C-N 3.28Å; L963-N965 PolarHBondContact O-N 2.92Å; L963-S966 CarbonylContact O-C 3.53Å; L963-S966 WeakPolarHBondContact O-CA 3.4Å; L963-S966 WeakPolarHBondContact O-CB 3.41Å; L963-S966 PolarHBondContact O-N 2.91Å; L963-D967 PolarHBondContact O-N 3.34Å; L963-D1004 HydrophobicContact CD2-CB 4.23Å
964	L	66.3	Low	63.5	Low	16 Å²	16	69.2 Å²	69.2	8%	0.084	36%	0.359	C	S	.	.	H	α-helix	trans	-53.6	-39.6	177.3	-82.2	163.6	0	0	0	114.2	A960 L968 L1001 D1004 A1005 L1008	A960-L964 WeakPolarHBondContact O-CB 3.39Å; A960-L964 WeakPolarHBondContact O-CG 3.31Å; A960-L964 PolarHBondContact O-N 3.27Å; L964-L968 WeakPolarHBondContact O-CB 3.33Å; L964-L968 PolarHBondContact O-N 3.21Å; L964-L1001 HydrophobicContact CD2-CD1 3.74Å; L964-D1004 HydrophobicContact CD2-CB 4.36Å; L964-A1005 HydrophobicContact CD2-CB 3.95Å; L964-L1008 HydrophobicContact CD1-CB 3.84Å; L964-L1008 HydrophobicContact CD1-CD2 3.37Å; L964-L1008 HydrophobicContact CD1-CG 4.19Å
965	N	66.9	Low	64.3	Low	97 Å²	97	69 Å²	69	52%	0.519	36%	0.358	S	S	.	.	H	α-helix	trans	-67.7	-34.6	174.9	-76.6	-31.3	0	0	0	112.4	Q961 K962 L963 G969	Q961-N965 WeakPolarHBondContact O-CB 3.41Å; Q961-N965 VanDerWaalsContact O-CG 3.32Å; Q961-N965 PolarHBondContact O-N 2.78Å; Q961-N965 PolarHBondContact O-ND2 3.21Å; K962-N965 PolarHBondContact O-N 3.07Å; L963-N965 VanDerWaalsContact C-N 3.28Å; L963-N965 PolarHBondContact O-N 2.92Å; N965-G969 PolarHBondContact O-N 3.5Å; N965-G969 VanDerWaalsContact O-N 3.1Å
966	S	71	Confident	64.9	Low	78 Å²	78	72 Å²	72	55%	0.545	37%	0.367	S	S	.	.	H	α-helix	trans	-66.8	-48.6	172.9	-175.4	0	0	0	0	111.4	K962 L963 L968 G969 E970	K962-S966 PolarHBondContact O-N 2.95Å; K962-S966 VanDerWaalsContact O-N 3.14Å; L963-S966 CarbonylContact O-C 3.53Å; L963-S966 WeakPolarHBondContact O-CA 3.4Å; L963-S966 WeakPolarHBondContact O-CB 3.41Å; L963-S966 PolarHBondContact O-N 2.91Å; S966-L968 VanDerWaalsContact C-N 3.33Å; S966-L968 PolarHBondContact O-N 3.22Å; S966-G969 CarbonylContact O-C 3.55Å; S966-G969 WeakPolarHBondContact O-CA 3.49Å; S966-G969 PolarHBondContact O-N 2.93Å; S966-E970 PolarHBondContact O-N 3.19Å
967	D	70.7	Confident	65.6	Low	28 Å²	28	68.4 Å²	68.4	15%	0.15	35%	0.353	C	S	.	.	H	α-helix	trans	-67.7	-33.9	-178.1	-56.3	-43.1	0	0	0	111.8	L963 G969 E970 L971 L1001	L963-D967 PolarHBondContact O-N 3.34Å; D967-G969 VanDerWaalsContact C-N 3.34Å; D967-E970 PolarHBondContact O-N 3.36Å; D967-L971 WeakPolarHBondContact O-CB 3.43Å; D967-L971 PolarHBondContact O-N 2.87Å; D967-L1001 HydrophobicContact CB-CB 4.42Å; D967-L1001 HydrophobicContact CB-CD1 3.88Å
968	L	65.6	Low	66.4	Low	46 Å²	46	67.3 Å²	67.3	24%	0.241	35%	0.349	C	S	.	.	H	α-helix	trans	-65.2	-39.6	170.4	-178.9	62.3	0	0	0	111	L964 S966 L971 I972 L1001	L964-L968 WeakPolarHBondContact O-CB 3.33Å; L964-L968 PolarHBondContact O-N 3.21Å; S966-L968 VanDerWaalsContact C-N 3.33Å; S966-L968 PolarHBondContact O-N 3.22Å; L968-L971 PolarHBondContact O-N 2.92Å; L968-I972 HydrophobicContact CD1-CD1 4.32Å; L968-I972 HydrophobicContact CG-CD1 4.06Å; L968-I972 WeakPolarHBondContact O-CB 3.24Å; L968-I972 WeakPolarHBondContact O-CD1 3.44Å; L968-I972 WeakPolarHBondContact O-CG1 3.41Å; L968-I972 PolarHBondContact O-N 3Å; L968-L1001 HydrophobicContact CB-CD1 4.11Å; L968-L1001 HydrophobicContact CB-CD2 4.48Å; L968-L1001 HydrophobicContact CD1-CD2 3.98Å
969	G	66.8	Low	66.7	Low	27 Å²	27	69.9 Å²	69.9	28%	0.278	36%	0.361	S	S	.	.	H	α-helix	trans	-61.8	-43.3	172.3	0	0	0	0	0	112.8	N965 S966 D967 I972 N973	N965-G969 PolarHBondContact O-N 3.5Å; N965-G969 VanDerWaalsContact O-N 3.1Å; S966-G969 CarbonylContact O-C 3.55Å; S966-G969 WeakPolarHBondContact O-CA 3.49Å; S966-G969 PolarHBondContact O-N 2.93Å; D967-G969 VanDerWaalsContact C-N 3.34Å; G969-I972 PolarHBondContact O-N 3.02Å; G969-N973 PolarHBondContact O-N 3.17Å; G969-N973 VanDerWaalsContact O-N 3.08Å; G969-N973 PolarHBondContact O-ND2 3.04Å
970	E	69.9	Low	67.3	Low	100 Å²	100	69.9 Å²	69.9	47%	0.467	36%	0.36	S	S	.	.	H	α-helix	trans	-65	-46.5	174.4	-179.3	159.1	-168.3	0	0	111.4	S966 D967 I972 N973 K974	S966-E970 PolarHBondContact O-N 3.19Å; D967-E970 PolarHBondContact O-N 3.36Å; E970-I972 VanDerWaalsContact C-N 3.34Å; E970-I972 PolarHBondContact O-N 3.13Å; E970-N973 PolarHBondContact O-N 3.38Å; E970-K974 HydrophobicContact CG-CG 4.17Å; E970-K974 WeakPolarHBondContact O-CG 3.31Å; E970-K974 PolarHBondContact O-N 3Å; E970-K974 WeakPolarHBondContact OE1-CE 3.29Å; E970-K974 IonicContact OE1-NZ 3.48Å
971	L	69.9	Low	67.9	Low	10 Å²	10	72.2 Å²	72.2	5%	0.052	36%	0.364	C	S	.	.	H	α-helix	trans	-56.3	-46.6	175.8	176.5	58.2	0	0	0	111.6	D967 L968 N973 K974 M975 M994 A997 A998 L1001	D967-L971 WeakPolarHBondContact O-CB 3.43Å; D967-L971 PolarHBondContact O-N 2.87Å; L968-L971 PolarHBondContact O-N 2.92Å; L971-N973 VanDerWaalsContact C-N 3.28Å; L971-N973 PolarHBondContact O-N 3.35Å; L971-K974 PolarHBondContact O-N 3.17Å; L971-M975 HydrophobicContact CD1-CG 4.01Å; L971-M975 HydrophobicContact CD1-SD 4.21Å; L971-M975 HydrophobicContact CG-CG 4.33Å; L971-M975 HydrophobicContact CG-SD 4.03Å; L971-M975 WeakPolarHBondContact O-CB 3.5Å; L971-M975 VanDerWaalsContact O-CG 3.26Å; L971-M975 WeakPolarHBondContact O-CG 3.45Å; L971-M975 PolarHBondContact O-N 3.44Å; L971-M994 HydrophobicContact CD1-CG 4.09Å; L971-M994 WeakPolarHBondContact CD1-O 3.47Å; L971-A997 HydrophobicContact CB-CB 4.26Å; L971-A997 HydrophobicContact CD1-CB 4.12Å; L971-A998 HydrophobicContact CD1-CB 3.92Å; L971-A998 HydrophobicContact CD2-CB 4.26Å; L971-L1001 HydrophobicContact CD2-CD2 3.61Å
972	I	69.6	Low	67.9	Low	73 Å²	73	72.3 Å²	72.3	37%	0.374	37%	0.368	S	S	.	.	H	α-helix	trans	-58.4	-40.4	176.2	-72.5	164.5	0	0	0	111.2	L968 G969 E970 M975 K976	L968-I972 HydrophobicContact CD1-CD1 4.32Å; L968-I972 HydrophobicContact CG-CD1 4.06Å; L968-I972 WeakPolarHBondContact O-CB 3.24Å; L968-I972 WeakPolarHBondContact O-CD1 3.44Å; L968-I972 WeakPolarHBondContact O-CG1 3.41Å; L968-I972 PolarHBondContact O-N 3Å; G969-I972 PolarHBondContact O-N 3.02Å; E970-I972 VanDerWaalsContact C-N 3.34Å; E970-I972 PolarHBondContact O-N 3.13Å; I972-M975 PolarHBondContact O-N 3.38Å; I972-K976 HydrophobicContact CG2-CD 4.33Å; I972-K976 VanDerWaalsContact O-CG 3.32Å; I972-K976 WeakPolarHBondContact O-CG 3.37Å; I972-K976 PolarHBondContact O-N 3.05Å
973	N	74.3	Confident	67.2	Low	88 Å²	88	74.2 Å²	74.2	47%	0.471	38%	0.381	S	S	.	.	H	α-helix	trans	-69.3	-40.6	177	-72.3	-29.1	0	0	0	112.5	G969 E970 L971 K976 L977	G969-N973 PolarHBondContact O-N 3.17Å; G969-N973 VanDerWaalsContact O-N 3.08Å; G969-N973 PolarHBondContact O-ND2 3.04Å; E970-N973 PolarHBondContact O-N 3.38Å; L971-N973 VanDerWaalsContact C-N 3.28Å; L971-N973 PolarHBondContact O-N 3.35Å; N973-K976 PolarHBondContact O-N 2.91Å; N973-L977 WeakPolarHBondContact O-CG 3.5Å; N973-L977 PolarHBondContact O-N 3.49Å; N973-L977 VanDerWaalsContact O-N 3.08Å
974	K	75.6	Confident	67.7	Low	50 Å²	50	72.8 Å²	72.8	22%	0.217	38%	0.376	C	S	.	.	H	α-helix	trans	-66.3	-36.6	173.7	-61.6	-57.1	-173	174.3	0	112.3	E970 L971 L977 A978 Q993 M994 A997	E970-K974 HydrophobicContact CG-CG 4.17Å; E970-K974 WeakPolarHBondContact O-CG 3.31Å; E970-K974 PolarHBondContact O-N 3Å; E970-K974 WeakPolarHBondContact OE1-CE 3.29Å; E970-K974 IonicContact OE1-NZ 3.48Å; L971-K974 PolarHBondContact O-N 3.17Å; K974-L977 HydrophobicContact CD-CD1 4.48Å; K974-L977 PolarHBondContact O-N 3.25Å; K974-A978 WeakPolarHBondContact O-CB 3.48Å; K974-A978 PolarHBondContact O-N 2.93Å; K974-Q993 HydrophobicContact CD-CB 4.26Å; K974-M994 HydrophobicContact CB-CB 4.32Å; K974-A997 HydrophobicContact CB-CB 4.47Å; K974-A997 HydrophobicContact CG-CB 4.04Å
975	M	64	Low	67.5	Low	89 Å²	89	77.9 Å²	77.9	44%	0.438	41%	0.413	S	S	.	.	H	α-helix	trans	-63.5	-44	173.3	-73.4	178.4	76.7	0	0	111.9	L971 I972 A978 Q979 M994	L971-M975 HydrophobicContact CD1-CG 4.01Å; L971-M975 HydrophobicContact CD1-SD 4.21Å; L971-M975 HydrophobicContact CG-CG 4.33Å; L971-M975 HydrophobicContact CG-SD 4.03Å; L971-M975 WeakPolarHBondContact O-CB 3.5Å; L971-M975 VanDerWaalsContact O-CG 3.26Å; L971-M975 WeakPolarHBondContact O-CG 3.45Å; L971-M975 PolarHBondContact O-N 3.44Å; I972-M975 PolarHBondContact O-N 3.38Å; M975-A978 PolarHBondContact O-N 3.03Å; M975-Q979 PolarHBondContact O-N 3.49Å; M975-M994 HydrophobicContact CB-SD 4.44Å; M975-M994 HydrophobicContact CG-CG 3.66Å; M975-M994 HydrophobicContact CG-SD 3.74Å
976	K	65.1	Low	67.2	Low	117 Å²	117	77.3 Å²	77.3	51%	0.509	41%	0.409	S	S	.	.	H	α-helix	trans	-59.9	-44.9	174.9	-74.5	169	-176.7	171.2	0	111.8	I972 N973 Q979 Q980	I972-K976 HydrophobicContact CG2-CD 4.33Å; I972-K976 VanDerWaalsContact O-CG 3.32Å; I972-K976 WeakPolarHBondContact O-CG 3.37Å; I972-K976 PolarHBondContact O-N 3.05Å; N973-K976 PolarHBondContact O-N 2.91Å; K976-Q979 PolarHBondContact O-N 3.18Å; K976-Q980 WeakPolarHBondContact O-CB 3.45Å; K976-Q980 PolarHBondContact O-N 3.45Å
977	L	69.9	Low	66.5	Low	54 Å²	54	77.7 Å²	77.7	28%	0.283	40%	0.402	S	S	.	.	H	α-helix	trans	-62.7	-45.7	175	-70.8	166.4	0	0	0	111.5	N973 K974 Q979 Q980 Y981 Y990	N973-L977 WeakPolarHBondContact O-CG 3.5Å; N973-L977 PolarHBondContact O-N 3.49Å; N973-L977 VanDerWaalsContact O-N 3.08Å; K974-L977 HydrophobicContact CD-CD1 4.48Å; K974-L977 PolarHBondContact O-N 3.25Å; L977-Q979 VanDerWaalsContact C-N 3.31Å; L977-Q979 PolarHBondContact O-N 3.25Å; L977-Q980 PolarHBondContact O-N 2.95Å; L977-Q980 VanDerWaalsContact O-N 3.17Å; L977-Y981 HydrophobicContact CD2-CD2 4.41Å; L977-Y981 HydrophobicContact CD2-CE2 3.92Å; L977-Y981 VanDerWaalsContact O-CD2 3.28Å; L977-Y981 WeakPolarHBondContact O-CD2 3.33Å; L977-Y981 PolarHBondContact O-N 3.46Å; L977-Y990 HydrophobicContact CB-CD1 3.98Å; L977-Y990 HydrophobicContact CB-CE1 4.26Å; L977-Y990 HydrophobicContact CD1-CE1 4.5Å
978	A	72.6	Confident	66	Low	13 Å²	13	84.2 Å²	84.2	11%	0.107	43%	0.432	C	S	.	.	H	α-helix	trans	-61.6	-36	177.5	0	0	0	0	0	112.9	K974 M975 V982 M994	K974-A978 WeakPolarHBondContact O-CB 3.48Å; K974-A978 PolarHBondContact O-N 2.93Å; M975-A978 PolarHBondContact O-N 3.03Å; A978-V982 WeakPolarHBondContact O-CB 3.23Å; A978-V982 PolarHBondContact O-N 3.49Å; A978-M994 HydrophobicContact CB-CB 4.42Å; A978-M994 HydrophobicContact CB-SD 4.15Å
979	Q	61.2	Low	66.2	Low	149 Å²	149	86.3 Å²	86.3	70%	0.696	44%	0.44	S	S	*	.	H	α-helix	trans	-68.2	-45.6	170.6	-79.8	-173.3	-32	0	0	112.4	M975 K976 L977 Y981 V982	M975-Q979 PolarHBondContact O-N 3.49Å; K976-Q979 PolarHBondContact O-N 3.18Å; L977-Q979 VanDerWaalsContact C-N 3.31Å; L977-Q979 PolarHBondContact O-N 3.25Å; Q979-Y981 VanDerWaalsContact C-N 3.31Å; Q979-Y981 PolarHBondContact O-N 3.05Å; Q979-V982 WeakPolarHBondContact O-CB 3.34Å; Q979-V982 VanDerWaalsContact O-CG1 3.26Å; Q979-V982 WeakPolarHBondContact O-CG1 3.47Å; Q979-V982 PolarHBondContact O-N 3.07Å
980	Q	67.4	Low	66.3	Low	134 Å²	134	87.3 Å²	87.3	63%	0.626	44%	0.436	S	S	*	.	H	α-helix	trans	-62.2	-37.4	-178.1	-177	177.2	-3	0	0	112.6	K976 L977	K976-Q980 WeakPolarHBondContact O-CB 3.45Å; K976-Q980 PolarHBondContact O-N 3.45Å; L977-Q980 PolarHBondContact O-N 2.95Å; L977-Q980 VanDerWaalsContact O-N 3.17Å
981	Y	72.5	Confident	66.1	Low	76 Å²	76	88.3 Å²	88.3	30%	0.298	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	13.3	-177.1	-66.7	-73.3	0	0	0	113.9	L977 Q979 M983 T984 Y990	L977-Y981 HydrophobicContact CD2-CD2 4.41Å; L977-Y981 HydrophobicContact CD2-CE2 3.92Å; L977-Y981 VanDerWaalsContact O-CD2 3.28Å; L977-Y981 WeakPolarHBondContact O-CD2 3.33Å; L977-Y981 PolarHBondContact O-N 3.46Å; Q979-Y981 VanDerWaalsContact C-N 3.31Å; Q979-Y981 PolarHBondContact O-N 3.05Å; Y981-M983 PolarHBondContact O-N 3.24Å; Y981-M983 VanDerWaalsContact O-N 3.12Å; Y981-T984 HydrophobicContact CD1-CG2 4.2Å; Y981-T984 PolarHBondContact O-N 3.12Å; Y981-T984 PolarHBondContact O-OG1 2.93Å; Y981-Y990 HydrophobicContact CD1-CE2 4.32Å; Y981-Y990 AromaticContact CD2-CD2 3.92Å; Y981-Y990 HydrophobicContact CD2-CD2 3.92Å; Y981-Y990 HydrophobicContact CD2-CE1 4.49Å; Y981-Y990 AromaticContact CD2-CE2 3.56Å; Y981-Y990 HydrophobicContact CD2-CE2 3.56Å; Y981-Y990 AromaticContact CD2-CZ 3.89Å; Y981-Y990 HydrophobicContact CE2-CE2 4.24Å; Y981-Y990 AromaticContact CG-CD2 3.9Å; Y981-Y990 HydrophobicContact CG-CD2 3.9Å; Y981-Y990 AromaticContact CG-CE2 3.63Å; Y981-Y990 HydrophobicContact CG-CE2 3.63Å
982	V	57.1	Low	66.3	Low	58 Å²	58	94 Å²	94	35%	0.352	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.7	-170.7	77.3	0	0	0	0	114.8	A978 Q979 Q987	A978-V982 WeakPolarHBondContact O-CB 3.23Å; A978-V982 PolarHBondContact O-N 3.49Å; Q979-V982 WeakPolarHBondContact O-CB 3.34Å; Q979-V982 VanDerWaalsContact O-CG1 3.26Å; Q979-V982 WeakPolarHBondContact O-CG1 3.47Å; Q979-V982 PolarHBondContact O-N 3.07Å; V982-Q987 HydrophobicContact CG2-CG 4.29Å; V982-Q987 PolarHBondContact O-NE2 2.88Å; V982-Q987 PolarHBondContact O-OE1 3.1Å
983	M	49.1	Very low	66.4	Low	168 Å²	168	93.1 Å²	93.1	83%	0.828	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	21.8	177.3	-61.9	-75.1	90.7	0	0	113	Y981	Y981-M983 PolarHBondContact O-N 3.24Å; Y981-M983 VanDerWaalsContact O-N 3.12Å
984	T	75.8	Confident	66.4	Low	58 Å²	58	91.2 Å²	91.2	36%	0.356	45%	0.446	S	S	.	.	S	Bend	trans	-119.3	162.6	-179.6	72.4	0	0	0	0	111.5	Y981 L986 Q987	Y981-T984 HydrophobicContact CD1-CG2 4.2Å; Y981-T984 PolarHBondContact O-N 3.12Å; Y981-T984 PolarHBondContact O-OG1 2.93Å; T984-L986 PolarHBondContact O-N 3Å; T984-L986 PolarHBondContact OG1-N 3.46Å; T984-Q987 VanDerWaalsContact O-CB 3.3Å; T984-Q987 WeakPolarHBondContact O-CB 3.48Å; T984-Q987 PolarHBondContact O-N 3.29Å
985	S	61.8	Low	66	Low	123 Å²	123	93.8 Å²	93.8	86%	0.86	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-16	172.3	50	0	0	0	0	113.9
986	L	60.4	Low	66.4	Low	84 Å²	84	94 Å²	94	44%	0.44	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-2.5	176.6	-57.7	176.3	0	0	0	113.7	T984 Q988 E989 Y990	T984-L986 PolarHBondContact O-N 3Å; T984-L986 PolarHBondContact OG1-N 3.46Å; L986-Q988 PolarHBondContact O-N 3.11Å; L986-E989 PolarHBondContact O-N 3.03Å; L986-E989 VanDerWaalsContact O-N 3.11Å; L986-Y990 HydrophobicContact CB-CD2 3.79Å; L986-Y990 HydrophobicContact CB-CE2 3.69Å; L986-Y990 HydrophobicContact CD1-CE2 3.99Å; L986-Y990 HydrophobicContact CG-CE2 4.48Å; L986-Y990 WeakPolarHBondContact O-CD2 3.4Å; L986-Y990 PolarHBondContact O-N 2.97Å
987	Q	56.6	Low	66.5	Low	86 Å²	86	88.9 Å²	88.9	40%	0.402	45%	0.448	S	S	.	.	H	α-helix	trans	-50.9	-43	-179.7	-179.5	-170.9	24.3	0	0	112.3	V982 T984 K991	V982-Q987 HydrophobicContact CG2-CG 4.29Å; V982-Q987 PolarHBondContact O-NE2 2.88Å; V982-Q987 PolarHBondContact O-OE1 3.1Å; T984-Q987 VanDerWaalsContact O-CB 3.3Å; T984-Q987 WeakPolarHBondContact O-CB 3.48Å; T984-Q987 PolarHBondContact O-N 3.29Å; Q987-K991 WeakPolarHBondContact O-CB 3.37Å; Q987-K991 PolarHBondContact O-N 3.32Å
988	Q	61.4	Low	66.1	Low	166 Å²	166	88.1 Å²	88.1	78%	0.776	45%	0.449	S	S	*	.	H	α-helix	trans	-69.2	-35.2	-176.1	-156.8	170.4	10.9	0	0	112.1	L986 K992	L986-Q988 PolarHBondContact O-N 3.11Å; Q988-K992 WeakPolarHBondContact O-CB 3.36Å; Q988-K992 PolarHBondContact O-N 3.05Å
989	E	69.7	Low	65.9	Low	89 Å²	89	93.9 Å²	93.9	42%	0.416	47%	0.474	S	S	.	.	H	α-helix	trans	-73.3	-47.3	177.2	178.6	51.4	-144.4	0	0	111.5	L986 K991 K992 Q993	L986-E989 PolarHBondContact O-N 3.03Å; L986-E989 VanDerWaalsContact O-N 3.11Å; E989-K991 VanDerWaalsContact C-N 3.33Å; E989-K991 PolarHBondContact O-N 3.37Å; E989-K992 WeakPolarHBondContact O-CB 3.18Å; E989-K992 PolarHBondContact O-N 2.96Å; E989-K992 VanDerWaalsContact O-N 3.13Å; E989-Q993 WeakPolarHBondContact O-CG 3.44Å; E989-Q993 PolarHBondContact O-N 2.96Å; E989-Q993 PolarHBondContact OE1-NE2 3.33Å
990	Y	69	Low	66.3	Low	49 Å²	49	88.7 Å²	88.7	19%	0.192	46%	0.456	C	S	.	.	H	α-helix	trans	-66.3	-33.8	175.8	-71.9	-66.9	0	0	0	112.8	L977 Y981 L986 K992 Q993 M994	L977-Y990 HydrophobicContact CB-CD1 3.98Å; L977-Y990 HydrophobicContact CB-CE1 4.26Å; L977-Y990 HydrophobicContact CD1-CE1 4.5Å; Y981-Y990 HydrophobicContact CD1-CE2 4.32Å; Y981-Y990 AromaticContact CD2-CD2 3.92Å; Y981-Y990 HydrophobicContact CD2-CD2 3.92Å; Y981-Y990 HydrophobicContact CD2-CE1 4.49Å; Y981-Y990 AromaticContact CD2-CE2 3.56Å; Y981-Y990 HydrophobicContact CD2-CE2 3.56Å; Y981-Y990 AromaticContact CD2-CZ 3.89Å; Y981-Y990 HydrophobicContact CE2-CE2 4.24Å; Y981-Y990 AromaticContact CG-CD2 3.9Å; Y981-Y990 HydrophobicContact CG-CD2 3.9Å; Y981-Y990 AromaticContact CG-CE2 3.63Å; Y981-Y990 HydrophobicContact CG-CE2 3.63Å; L986-Y990 HydrophobicContact CB-CD2 3.79Å; L986-Y990 HydrophobicContact CB-CE2 3.69Å; L986-Y990 HydrophobicContact CD1-CE2 3.99Å; L986-Y990 HydrophobicContact CG-CE2 4.48Å; L986-Y990 WeakPolarHBondContact O-CD2 3.4Å; L986-Y990 PolarHBondContact O-N 2.97Å; Y990-K992 VanDerWaalsContact C-N 3.34Å; Y990-Q993 PolarHBondContact O-N 2.99Å; Y990-M994 WeakPolarHBondContact O-CB 3.34Å; Y990-M994 PolarHBondContact O-N 3.49Å
991	K	65.9	Low	66.3	Low	120 Å²	120	83.2 Å²	83.2	52%	0.522	43%	0.431	S	S	.	.	H	α-helix	trans	-64.2	-38.1	171.4	-172.6	176.3	-177.8	179.8	0	111.7	Q987 E989 M994 L995	Q987-K991 WeakPolarHBondContact O-CB 3.37Å; Q987-K991 PolarHBondContact O-N 3.32Å; E989-K991 VanDerWaalsContact C-N 3.33Å; E989-K991 PolarHBondContact O-N 3.37Å; K991-M994 HydrophobicContact CG-CE 4.48Å; K991-M994 PolarHBondContact O-N 3.41Å; K991-L995 HydrophobicContact CG-CD1 4.48Å; K991-L995 WeakPolarHBondContact O-CG 3.47Å; K991-L995 PolarHBondContact O-N 3.22Å
992	K	72.4	Confident	65.9	Low	131 Å²	131	82.3 Å²	82.3	57%	0.57	44%	0.439	S	S	*	.	H	α-helix	trans	-64.1	-46.4	173.3	-175.1	-177.6	178	-174	0	111.5	Q988 E989 Y990 M994 L995 T996	Q988-K992 WeakPolarHBondContact O-CB 3.36Å; Q988-K992 PolarHBondContact O-N 3.05Å; E989-K992 WeakPolarHBondContact O-CB 3.18Å; E989-K992 PolarHBondContact O-N 2.96Å; E989-K992 VanDerWaalsContact O-N 3.13Å; Y990-K992 VanDerWaalsContact C-N 3.34Å; K992-M994 VanDerWaalsContact C-N 3.33Å; K992-M994 PolarHBondContact O-N 2.95Å; K992-L995 PolarHBondContact O-N 2.89Å; K992-L995 VanDerWaalsContact O-N 3.16Å; K992-T996 PolarHBondContact O-N 2.93Å; K992-T996 PolarHBondContact O-OG1 2.67Å; K992-T996 VanDerWaalsContact O-OG1 3.1Å
993	Q	73.3	Confident	66.5	Low	54 Å²	54	82.6 Å²	82.6	25%	0.252	44%	0.441	S	S	.	.	H	α-helix	trans	-62.2	-38.6	176.9	-67.3	-179.5	29.1	0	0	112.9	K974 E989 Y990 T996 A997	K974-Q993 HydrophobicContact CD-CB 4.26Å; E989-Q993 WeakPolarHBondContact O-CG 3.44Å; E989-Q993 PolarHBondContact O-N 2.96Å; E989-Q993 PolarHBondContact OE1-NE2 3.33Å; Y990-Q993 PolarHBondContact O-N 2.99Å; Q993-T996 PolarHBondContact O-N 3.39Å; Q993-A997 PolarHBondContact O-N 2.85Å
994	M	74.1	Confident	67.3	Low	48 Å²	48	76.5 Å²	76.5	24%	0.236	41%	0.412	C	S	.	.	H	α-helix	trans	-62	-42.9	172.8	-175.4	-166.6	78.1	0	0	111.9	L971 K974 M975 A978 Y990 K991 K992 A997 A998	L971-M994 HydrophobicContact CD1-CG 4.09Å; L971-M994 WeakPolarHBondContact CD1-O 3.47Å; K974-M994 HydrophobicContact CB-CB 4.32Å; M975-M994 HydrophobicContact CB-SD 4.44Å; M975-M994 HydrophobicContact CG-CG 3.66Å; M975-M994 HydrophobicContact CG-SD 3.74Å; A978-M994 HydrophobicContact CB-CB 4.42Å; A978-M994 HydrophobicContact CB-SD 4.15Å; Y990-M994 WeakPolarHBondContact O-CB 3.34Å; Y990-M994 PolarHBondContact O-N 3.49Å; K991-M994 HydrophobicContact CG-CE 4.48Å; K991-M994 PolarHBondContact O-N 3.41Å; K992-M994 VanDerWaalsContact C-N 3.33Å; K992-M994 PolarHBondContact O-N 2.95Å; M994-A997 PolarHBondContact O-N 3.06Å; M994-A998 WeakPolarHBondContact O-CB 3.34Å; M994-A998 PolarHBondContact O-N 3.04Å
995	L	67.3	Low	66.8	Low	103 Å²	103	74.3 Å²	74.3	54%	0.539	40%	0.4	S	S	.	.	H	α-helix	trans	-66.1	-37.2	175.9	-72.4	168	0	0	0	112.4	K991 K992 A998 H999	K991-L995 HydrophobicContact CG-CD1 4.48Å; K991-L995 WeakPolarHBondContact O-CG 3.47Å; K991-L995 PolarHBondContact O-N 3.22Å; K992-L995 PolarHBondContact O-N 2.89Å; K992-L995 VanDerWaalsContact O-N 3.16Å; L995-A998 PolarHBondContact O-N 3.03Å; L995-H999 WeakPolarHBondContact O-CB 3.48Å; L995-H999 PolarHBondContact O-N 3.06Å
996	T	71.2	Confident	67.1	Low	93 Å²	93	74.5 Å²	74.5	57%	0.571	39%	0.385	S	S	*	.	H	α-helix	trans	-63	-46.4	174	-54.4	0	0	0	0	111.6	K992 Q993 A998 H999 A1000	K992-T996 PolarHBondContact O-N 2.93Å; K992-T996 PolarHBondContact O-OG1 2.67Å; K992-T996 VanDerWaalsContact O-OG1 3.1Å; Q993-T996 PolarHBondContact O-N 3.39Å; T996-A998 VanDerWaalsContact C-N 3.33Å; T996-A998 PolarHBondContact O-N 3.19Å; T996-H999 WeakPolarHBondContact O-CB 3.44Å; T996-H999 PolarHBondContact O-N 3.41Å; T996-A1000 PolarHBondContact O-N 3.36Å
997	A	66.9	Low	67.5	Low	11 Å²	11	74 Å²	74	9%	0.091	38%	0.383	C	S	.	.	H	α-helix	trans	-63.8	-37.7	176.8	0	0	0	0	0	112.2	L971 K974 Q993 M994 H999 A1000 L1001	L971-A997 HydrophobicContact CB-CB 4.26Å; L971-A997 HydrophobicContact CD1-CB 4.12Å; K974-A997 HydrophobicContact CB-CB 4.47Å; K974-A997 HydrophobicContact CG-CB 4.04Å; Q993-A997 PolarHBondContact O-N 2.85Å; M994-A997 PolarHBondContact O-N 3.06Å; A997-H999 VanDerWaalsContact C-N 3.34Å; A997-A1000 PolarHBondContact O-N 3.16Å; A997-L1001 PolarHBondContact O-N 3.01Å; A997-L1001 VanDerWaalsContact O-N 3.1Å
998	A	62.7	Low	67.9	Low	37 Å²	37	70.7 Å²	70.7	31%	0.306	37%	0.368	S	S	.	.	H	α-helix	trans	-66.6	-34.4	174.6	0	0	0	0	0	112.6	L971 M994 L995 T996 A1002	L971-A998 HydrophobicContact CD1-CB 3.92Å; L971-A998 HydrophobicContact CD2-CB 4.26Å; M994-A998 WeakPolarHBondContact O-CB 3.34Å; M994-A998 PolarHBondContact O-N 3.04Å; L995-A998 PolarHBondContact O-N 3.03Å; T996-A998 VanDerWaalsContact C-N 3.33Å; T996-A998 PolarHBondContact O-N 3.19Å; A998-A1002 WeakPolarHBondContact O-CB 3.22Å; A998-A1002 PolarHBondContact O-N 3.39Å; A998-A1002 VanDerWaalsContact O-N 3.09Å
999	H	68.9	Low	68	Low	135 Å²	135	66.6 Å²	66.6	63%	0.625	35%	0.351	S	S	*	.	H	α-helix	trans	-67.4	-45.3	175.2	-164.5	125	0	0	0	111.3	L995 T996 A997 A1002 V1003	L995-H999 WeakPolarHBondContact O-CB 3.48Å; L995-H999 PolarHBondContact O-N 3.06Å; T996-H999 WeakPolarHBondContact O-CB 3.44Å; T996-H999 PolarHBondContact O-N 3.41Å; A997-H999 VanDerWaalsContact C-N 3.34Å; H999-A1002 PolarHBondContact O-N 3.05Å; H999-V1003 WeakPolarHBondContact O-CG2 3.46Å; H999-V1003 PolarHBondContact O-N 3.44Å
1000	A	68.1	Low	67.9	Low	39 Å²	39	65.6 Å²	65.6	32%	0.322	35%	0.348	S	S	.	.	H	α-helix	trans	-56.9	-53.7	175.8	0	0	0	0	0	111	T996 A997 A1002 V1003 D1004	T996-A1000 PolarHBondContact O-N 3.36Å; A997-A1000 PolarHBondContact O-N 3.16Å; A1000-A1002 PolarHBondContact O-N 3.5Å; A1000-A1002 VanDerWaalsContact O-N 3.17Å; A1000-V1003 PolarHBondContact O-N 3.49Å; A1000-D1004 PolarHBondContact O-N 2.89Å
1001	L	68.9	Low	67.7	Low	19 Å²	19	65.5 Å²	65.5	10%	0.099	35%	0.353	C	S	.	.	H	α-helix	trans	-54.4	-38.6	176.6	-176	69.5	0	0	0	113	L964 D967 L968 L971 A997 A1005	L964-L1001 HydrophobicContact CD2-CD1 3.74Å; D967-L1001 HydrophobicContact CB-CB 4.42Å; D967-L1001 HydrophobicContact CB-CD1 3.88Å; L968-L1001 HydrophobicContact CB-CD1 4.11Å; L968-L1001 HydrophobicContact CB-CD2 4.48Å; L968-L1001 HydrophobicContact CD1-CD2 3.98Å; L971-L1001 HydrophobicContact CD2-CD2 3.61Å; A997-L1001 PolarHBondContact O-N 3.01Å; A997-L1001 VanDerWaalsContact O-N 3.1Å; L1001-A1005 WeakPolarHBondContact O-CB 3.47Å; L1001-A1005 PolarHBondContact O-N 3.18Å
1002	A	64	Low	67.5	Low	57 Å²	57	61.4 Å²	61.4	47%	0.471	34%	0.336	S	S	.	.	H	α-helix	trans	-71.3	-36.3	178	0	0	0	0	0	113.2	A998 H999 A1000 K1006	A998-A1002 WeakPolarHBondContact O-CB 3.22Å; A998-A1002 PolarHBondContact O-N 3.39Å; A998-A1002 VanDerWaalsContact O-N 3.09Å; H999-A1002 PolarHBondContact O-N 3.05Å; A1000-A1002 PolarHBondContact O-N 3.5Å; A1000-A1002 VanDerWaalsContact O-N 3.17Å; A1002-K1006 PolarHBondContact O-N 2.99Å; A1002-K1006 VanDerWaalsContact O-N 3.13Å
1003	V	68.8	Low	67.1	Low	64 Å²	64	59.4 Å²	59.4	39%	0.388	33%	0.332	S	S	.	.	H	α-helix	trans	-66.9	-45.8	174.6	168.1	0	0	0	0	110.3	H999 A1000 A1005 K1006 N1007	H999-V1003 WeakPolarHBondContact O-CG2 3.46Å; H999-V1003 PolarHBondContact O-N 3.44Å; A1000-V1003 PolarHBondContact O-N 3.49Å; V1003-A1005 PolarHBondContact O-N 2.84Å; V1003-K1006 WeakPolarHBondContact O-CB 3.34Å; V1003-K1006 PolarHBondContact O-N 3.47Å; V1003-N1007 VanDerWaalsContact O-CG 3.23Å; V1003-N1007 PolarHBondContact O-N 3.32Å; V1003-N1007 PolarHBondContact O-ND2 2.89Å
1004	D	66.8	Low	66.6	Low	40 Å²	40	62.5 Å²	62.5	21%	0.214	35%	0.346	C	S	.	.	H	α-helix	trans	-74.5	-26.4	-178.9	-67.6	-50.6	0	0	0	113.2	L963 L964 A1000 N1007 L1008	L963-D1004 HydrophobicContact CD2-CB 4.23Å; L964-D1004 HydrophobicContact CD2-CB 4.36Å; A1000-D1004 PolarHBondContact O-N 2.89Å; D1004-N1007 PolarHBondContact O-N 3.34Å; D1004-N1007 PolarHBondContact OD1-ND2 2.78Å; D1004-L1008 PolarHBondContact O-N 3.4Å
1005	A	64.5	Low	66	Low	12 Å²	12	61.4 Å²	61.4	10%	0.099	34%	0.344	C	S	.	.	H	α-helix	trans	-66.4	-39.1	168.4	0	0	0	0	0	111.7	L932 L964 L1001 V1003 L1009	L932-A1005 HydrophobicContact CD2-CB 4.41Å; L964-A1005 HydrophobicContact CD2-CB 3.95Å; L1001-A1005 WeakPolarHBondContact O-CB 3.47Å; L1001-A1005 PolarHBondContact O-N 3.18Å; V1003-A1005 PolarHBondContact O-N 2.84Å; A1005-L1009 WeakPolarHBondContact O-CG 3.46Å; A1005-L1009 PolarHBondContact O-N 3.32Å; A1005-L1009 VanDerWaalsContact O-N 3.1Å
1006	K	69	Low	65.7	Low	127 Å²	127	64.3 Å²	64.3	55%	0.552	35%	0.348	S	S	*	.	H	α-helix	trans	-65.5	-45.2	172.1	-172.6	-167.7	169	-166.5	0	111.1	A1002 V1003 L1008 L1009 D1010	A1002-K1006 PolarHBondContact O-N 2.99Å; A1002-K1006 VanDerWaalsContact O-N 3.13Å; V1003-K1006 WeakPolarHBondContact O-CB 3.34Å; V1003-K1006 PolarHBondContact O-N 3.47Å; K1006-L1008 VanDerWaalsContact C-N 3.28Å; K1006-L1008 PolarHBondContact O-N 3.27Å; K1006-L1009 WeakPolarHBondContact O-CB 3.3Å; K1006-L1009 PolarHBondContact O-N 2.83Å; K1006-L1009 VanDerWaalsContact O-N 3.08Å; K1006-D1010 WeakPolarHBondContact CE-OD2 3.33Å; K1006-D1010 PolarHBondContact O-N 3.44Å
1007	N	67.3	Low	65.3	Low	75 Å²	75	65.6 Å²	65.6	40%	0.401	35%	0.351	S	S	.	.	H	α-helix	trans	-57.8	-40.7	177.4	-66.5	-28.3	0	0	0	111.6	V1003 D1004 V1011	V1003-N1007 VanDerWaalsContact O-CG 3.23Å; V1003-N1007 PolarHBondContact O-N 3.32Å; V1003-N1007 PolarHBondContact O-ND2 2.89Å; D1004-N1007 PolarHBondContact O-N 3.34Å; D1004-N1007 PolarHBondContact OD1-ND2 2.78Å; N1007-V1011 VanDerWaalsContact O-CG2 3.3Å; N1007-V1011 WeakPolarHBondContact O-CG2 3.43Å; N1007-V1011 PolarHBondContact O-N 2.91Å
1008	L	66.2	Low	64.9	Low	16 Å²	16	72.4 Å²	72.4	8%	0.084	38%	0.378	C	S	.	.	H	α-helix	trans	-63.6	-44.9	173.4	176.3	65	0	0	0	112	I957 A960 L964 D1004 K1006 V1011 I1012	I957-L1008 HydrophobicContact CG2-CD1 4.34Å; A960-L1008 HydrophobicContact CB-CB 4.45Å; A960-L1008 HydrophobicContact CB-CD1 3.82Å; L964-L1008 HydrophobicContact CD1-CB 3.84Å; L964-L1008 HydrophobicContact CD1-CD2 3.37Å; L964-L1008 HydrophobicContact CD1-CG 4.19Å; D1004-L1008 PolarHBondContact O-N 3.4Å; K1006-L1008 VanDerWaalsContact C-N 3.28Å; K1006-L1008 PolarHBondContact O-N 3.27Å; L1008-V1011 PolarHBondContact O-N 3.12Å; L1008-I1012 HydrophobicContact CD1-CD1 3.89Å; L1008-I1012 HydrophobicContact CD1-CG1 4.12Å; L1008-I1012 HydrophobicContact CD2-CD1 4.28Å; L1008-I1012 HydrophobicContact CG-CD1 3.78Å; L1008-I1012 HydrophobicContact CG-CG1 4.38Å; L1008-I1012 WeakPolarHBondContact O-CG1 3.37Å; L1008-I1012 PolarHBondContact O-N 3.1Å
1009	L	64	Low	64.5	Low	80 Å²	80	74.6 Å²	74.6	42%	0.419	38%	0.383	S	S	.	.	H	α-helix	trans	-60.8	-45.1	177.5	-74.6	166.7	0	0	0	111.7	M939 A1005 K1006 V1011 I1012 D1013	M939-L1009 HydrophobicContact CE-CD2 4.24Å; A1005-L1009 WeakPolarHBondContact O-CG 3.46Å; A1005-L1009 PolarHBondContact O-N 3.32Å; A1005-L1009 VanDerWaalsContact O-N 3.1Å; K1006-L1009 WeakPolarHBondContact O-CB 3.3Å; K1006-L1009 PolarHBondContact O-N 2.83Å; K1006-L1009 VanDerWaalsContact O-N 3.08Å; L1009-V1011 VanDerWaalsContact C-N 3.28Å; L1009-V1011 PolarHBondContact O-N 2.92Å; L1009-I1012 PolarHBondContact O-N 3.01Å; L1009-I1012 VanDerWaalsContact O-N 3.17Å; L1009-D1013 PolarHBondContact O-N 3.35Å
1010	D	66.4	Low	63.8	Low	68 Å²	68	74 Å²	74	36%	0.364	39%	0.385	S	S	.	.	H	α-helix	trans	-61.4	-36.3	176.8	-69.9	-23.1	0	0	0	111.3	K1006 Q1014	K1006-D1010 WeakPolarHBondContact CE-OD2 3.33Å; K1006-D1010 PolarHBondContact O-N 3.44Å; D1010-Q1014 WeakPolarHBondContact O-CB 3.36Å; D1010-Q1014 WeakPolarHBondContact O-CG 3.38Å; D1010-Q1014 PolarHBondContact O-N 3.3Å
1011	V	65.1	Low	63	Low	47 Å²	47	75.2 Å²	75.2	29%	0.285	40%	0.401	S	S	.	.	H	α-helix	trans	-70	-40.2	173.9	168.3	0	0	0	0	112.3	I957 N1007 L1008 L1009 Q1014 A1015	I957-V1011 HydrophobicContact CG1-CG1 4.33Å; N1007-V1011 VanDerWaalsContact O-CG2 3.3Å; N1007-V1011 WeakPolarHBondContact O-CG2 3.43Å; N1007-V1011 PolarHBondContact O-N 2.91Å; L1008-V1011 PolarHBondContact O-N 3.12Å; L1009-V1011 VanDerWaalsContact C-N 3.28Å; L1009-V1011 PolarHBondContact O-N 2.92Å; V1011-Q1014 PolarHBondContact O-N 2.95Å; V1011-A1015 PolarHBondContact O-N 2.77Å
1012	I	62.6	Low	62	Low	34 Å²	34	81.5 Å²	81.5	17%	0.174	43%	0.429	C	S	.	.	H	α-helix	trans	-66.7	-42.6	177.3	-71.6	170.7	0	0	0	110.9	M939 I957 L1008 L1009 A1015 R1016	M939-I1012 HydrophobicContact SD-CD1 4.2Å; I957-I1012 HydrophobicContact CD1-CG1 4.35Å; I957-I1012 HydrophobicContact CG1-CG1 4.37Å; L1008-I1012 HydrophobicContact CD1-CD1 3.89Å; L1008-I1012 HydrophobicContact CD1-CG1 4.12Å; L1008-I1012 HydrophobicContact CD2-CD1 4.28Å; L1008-I1012 HydrophobicContact CG-CD1 3.78Å; L1008-I1012 HydrophobicContact CG-CG1 4.38Å; L1008-I1012 WeakPolarHBondContact O-CG1 3.37Å; L1008-I1012 PolarHBondContact O-N 3.1Å; L1009-I1012 PolarHBondContact O-N 3.01Å; L1009-I1012 VanDerWaalsContact O-N 3.17Å; I1012-A1015 WeakPolarHBondContact O-CB 3.43Å; I1012-A1015 PolarHBondContact O-N 2.99Å; I1012-R1016 PolarHBondContact O-N 3.24Å
1013	D	64.3	Low	61.1	Low	88 Å²	88	84 Å²	84	47%	0.471	44%	0.439	S	S	.	.	H	α-helix	trans	-68.3	-37.7	176.8	-89.8	-7.1	0	0	0	111.8	L1009 A1015 R1016 L1017	L1009-D1013 PolarHBondContact O-N 3.35Å; D1013-A1015 VanDerWaalsContact C-N 3.31Å; D1013-A1015 PolarHBondContact O-N 2.96Å; D1013-R1016 PolarHBondContact O-N 3.17Å; D1013-L1017 WeakPolarHBondContact O-CB 3.41Å; D1013-L1017 VanDerWaalsContact O-CG 3.27Å; D1013-L1017 WeakPolarHBondContact O-CG 3.43Å; D1013-L1017 PolarHBondContact O-N 3.23Å
1014	Q	62.3	Low	59.5	Low	120 Å²	120	92 Å²	92	56%	0.561	46%	0.462	S	S	*	.	H	α-helix	trans	-61.8	-36.7	170.4	-76.7	176	32	0	0	112.9	D1010 V1011 K1018	D1010-Q1014 WeakPolarHBondContact O-CB 3.36Å; D1010-Q1014 WeakPolarHBondContact O-CG 3.38Å; D1010-Q1014 PolarHBondContact O-N 3.3Å; V1011-Q1014 PolarHBondContact O-N 2.95Å; Q1014-K1018 WeakPolarHBondContact O-CG 3.48Å; Q1014-K1018 PolarHBondContact O-N 3.39Å
1015	A	61.6	Low	58.5	Low	24 Å²	24	95.9 Å²	95.9	20%	0.198	49%	0.49	C	S	.	.	H	α-helix	trans	-67.5	-46.5	173.7	0	0	0	0	0	111.3	V1011 I1012 D1013 L1017 K1018 M1019	V1011-A1015 PolarHBondContact O-N 2.77Å; I1012-A1015 WeakPolarHBondContact O-CB 3.43Å; I1012-A1015 PolarHBondContact O-N 2.99Å; D1013-A1015 VanDerWaalsContact C-N 3.31Å; D1013-A1015 PolarHBondContact O-N 2.96Å; A1015-L1017 PolarHBondContact O-N 3.49Å; A1015-K1018 WeakPolarHBondContact O-CB 3.37Å; A1015-K1018 PolarHBondContact O-N 3.32Å; A1015-M1019 WeakPolarHBondContact O-CG 3.32Å; A1015-M1019 PolarHBondContact O-N 3.36Å; A1015-M1019 VanDerWaalsContact O-N 3.09Å
1016	R	60.5	Low	57	Low	165 Å²	165	108.1 Å²	108.1	62%	0.623	54%	0.544	S	S	*	.	H	α-helix	trans	-58.2	-43.3	175	-92.6	179.9	154.3	-174.2	-6	113.3	I1012 D1013 K1018 M1019 L1020	I1012-R1016 PolarHBondContact O-N 3.24Å; D1013-R1016 PolarHBondContact O-N 3.17Å; R1016-K1018 VanDerWaalsContact C-N 3.28Å; R1016-K1018 PolarHBondContact O-N 2.67Å; R1016-M1019 PolarHBondContact O-N 3.21Å; R1016-L1020 PolarHBondContact O-N 2.89Å
1017	L	63.2	Low	56.4	Low	119 Å²	119	107.2 Å²	107.2	62%	0.623	54%	0.544	S	S	*	.	H	α-helix	trans	-63.9	-33.6	178.1	-74.6	167.6	0	0	0	112.1	D1013 A1015 G1021	D1013-L1017 WeakPolarHBondContact O-CB 3.41Å; D1013-L1017 VanDerWaalsContact O-CG 3.27Å; D1013-L1017 WeakPolarHBondContact O-CG 3.43Å; D1013-L1017 PolarHBondContact O-N 3.23Å; A1015-L1017 PolarHBondContact O-N 3.49Å; L1017-G1021 PolarHBondContact O-N 3.38Å
1018	K	57.7	Low	55.8	Low	154 Å²	154	108.8 Å²	108.8	67%	0.67	55%	0.551	S	S	*	*	H	α-helix	trans	-68.4	-41.8	172.5	-73.9	178.4	177.9	-176	0	112.3	Q1014 A1015 R1016 G1021	Q1014-K1018 WeakPolarHBondContact O-CG 3.48Å; Q1014-K1018 PolarHBondContact O-N 3.39Å; A1015-K1018 WeakPolarHBondContact O-CB 3.37Å; A1015-K1018 PolarHBondContact O-N 3.32Å; R1016-K1018 VanDerWaalsContact C-N 3.28Å; R1016-K1018 PolarHBondContact O-N 2.67Å; K1018-G1021 PolarHBondContact O-N 3.23Å
1019	M	54.4	Low	55.3	Low	83 Å²	83	114 Å²	114	41%	0.409	58%	0.577	S	S	.	*	H	α-helix	trans	-64.4	-41.6	175.8	-63.7	-51.3	-69.1	0	0	112.6	E950 A1015 R1016 G1021 Q1022	E950-M1019 WeakPolarHBondContact OE1-CE 3.36Å; A1015-M1019 WeakPolarHBondContact O-CG 3.32Å; A1015-M1019 PolarHBondContact O-N 3.36Å; A1015-M1019 VanDerWaalsContact O-N 3.09Å; R1016-M1019 PolarHBondContact O-N 3.21Å; M1019-G1021 PolarHBondContact O-N 3.29Å; M1019-Q1022 PolarHBondContact O-N 2.87Å
1020	L	54.2	Low	54.7	Low	124 Å²	124	116 Å²	116	65%	0.649	59%	0.586	S	S	*	*	H	α-helix	trans	-68.9	-22.9	175.2	-74.9	161.4	0	0	0	112.9	R1016 Q1022 T1023	R1016-L1020 PolarHBondContact O-N 2.89Å; L1020-Q1022 VanDerWaalsContact C-N 3.3Å; L1020-T1023 PolarHBondContact O-OG1 3.3Å
1021	G	51.3	Low	54	Low	64 Å²	64	119 Å²	119	66%	0.66	60%	0.6	S	S	*	*	H	α-helix	trans	-72.6	-18.1	174	0	0	0	0	0	114.6	L1017 K1018 M1019	L1017-G1021 PolarHBondContact O-N 3.38Å; K1018-G1021 PolarHBondContact O-N 3.23Å; M1019-G1021 PolarHBondContact O-N 3.29Å
1022	Q	48.5	Very low	53.3	Low	151 Å²	151	123.8 Å²	123.8	71%	0.706	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-7.2	-178.3	-72.7	-178.6	-26.8	0	0	114.2	M1019 L1020 R1024	M1019-Q1022 PolarHBondContact O-N 2.87Å; L1020-Q1022 VanDerWaalsContact C-N 3.3Å; Q1022-R1024 PolarHBondContact O-N 3.25Å
1023	T	45	Very low	52.6	Low	108 Å²	108	130.2 Å²	130.2	66%	0.663	65%	0.653	S	S	*	*			trans	-102.4	69.6	179.9	45	0	0	0	0	113.2	L1020	L1020-T1023 PolarHBondContact O-OG1 3.3Å
1024	R	34.5	Very low	51.7	Low	232 Å²	232	133.5 Å²	133.5	88%	0.875	67%	0.667	S	S	*	*			trans	-125.7	124.4	152.1	-76.2	-171.2	176.1	-172.7	-0.1	108.9	Q1022	Q1022-R1024 PolarHBondContact O-N 3.25Å
1025	P	47	Very low	50.8	Low	123 Å²	123	134.6 Å²	134.6	80%	0.799	68%	0.676	S	S	*	*			trans	-80.2	140.3	-169	31.4	-35.1	0	0	0	112.8
1026	H	32.2	Very low	49.9	Very low	268 Å²	268	144.6 Å²	144.6	100%	1.241	72%	0.72	S	S	*	*			trans	-116.3	0	132.9	-91.6	-52.6	0	0	0	107.8

Retrieved 1,026 of 1,026 residues in 261.1 ms (Link to these results)

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