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Phospholipid-transporting ATPase

Catalytic component of a P4-ATPase flippase complex which catalyzes the hydrolysis of ATP coupled to the transport of aminophospholipids, phosphatidylserines (PS) and phosphatidylethanolamines (PE), from the outer to the inner leaflet of the plasma membrane. Major PS-flippase in immune cell subsets. In erythrocyte plasma membrane, it is required to maintain PS in the inner leaflet preventing its exposure on the surface. This asymmetric distribution is critical for the survival of erythrocytes in circulation since externalized PS is a phagocytic signal for erythrocyte clearance by splenic macrophages. Required for B cell differentiation past the pro-B cell stage. Seems to mediate PS flipping in pro-B cells. May be involved in the transport of cholestatic bile acids.

AlphaFold DB , UniProt , Accession A0A067XG54, Species HUMAN (Homo sapiens, Human), Gene ATP11C, Length 1,113 aa.

						>A0A067XG54_HUMAN|A0A067XG54|ATP11C
MFRRSLNRFCAGEEKRVGTRTVFVGNHPVSETEAYIAQRFCDNRIVSSKYTLWNFLPKNLFEQFRRIANFYFLIIFLVQVTVDTPTSPVTSGLPLFFVITVTAIKQGYEDCLRHRADNEVNKSTVYIIENAKRVRKESEKIKVGDVVEVQADETFPCDLILLSSCTTDGTCYVTTASLDGESNCKTHYAVRDTIALCTAESIDTLRAAIECEQPQPDLYKFVGRINIYSNSLEAVARSLGPENLLLKGATLKNTEKIYGVAVYTGMETKMALNYQGKSQKRSAVEKSINAFLIVYLFILLTKAAVCTTLKYVWQSTPYNDEPWYNQKTQKERETLKVLKMFTDFLSFMVLFNFIIPVSMYVTVEMQKFLGSFFISWDKDFYDEEINEGALVNTSDLNEELGQVDYVFTDKTGTLTENSMEFIECCIDGHKYKGVTQEVDGLSQTDGTLTYFDKVDKNREELFLRALCLCHTVEIKTNDAVDGATESAELTYISSSPDEIALVKGAKRYGFTFLGNRNGYMRVENQRKEIEEYELLHTLNFDAVRRRMSVIVKTQEGDILLFCKGADSAVFPRVQNHEIELTKVHVERNAMDGYRTLCVAFKEIAPDDYERINRQLIEAKMALQDREEKMEKVFDDIETNMNLIGATAVEDKLQDQAAETIEALHAAGLKVWVLTGDKMETAKSTCYACRLFQTNTELLELTTKTIEESERKEDRLHELLIEYRKKLLHEFPKSTRSFKKAWTEHQEYGLIIDGSTLSLILNSSQDSSSNNYKSIFLQICMKCTAVLCCRMAPLQKAQIVRMVKNLKGSPITLSIGDGANDVSMILESHVGIGKEGRQAARNSDYSVPKFKHLKKLLLAHGHLYYVRIAHLVQYFFYKNLCFILPQFLYQFFCGFSQQPLYDAAYLTMYNICFTSLPILAYSLLEQHINIDTLTSDPRLYMKISGNAMLQLGPFLYWTFLAAFEGTVFFFGTYFLFQTASLEENGKVYGNWTFGTIVFTVLVFTVTLKLALDTRFWTWINHFVIWGSLAFYVFFSFFWGGIIWPFLKQQRMYFVFAQMLSSVSTWLAIILLIFISLFPEILLIVLKNVRRRSARNPNLELPMLLSYKHTDSGYS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.7	Very low	27.7	Very low	218 Å²	218	159.5 Å²	159.5	100%	1.074	76%	0.764	S	S	*	*				0	-49.7	0	-94.5	172.2	-175.2	0	0	113	R3 R4	M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 2.92Å; M1-R4 PolarHBondContact O-N 3.14Å; M1-R4 VanDerWaalsContact O-N 3.15Å
2	F	23.3	Very low	27.6	Very low	179 Å²	179	153.3 Å²	153.3	79%	0.785	77%	0.773	S	S	*	*	H	α-helix	trans	-60.4	-29.8	-178.4	-95.4	-92.3	0	0	0	116.3	R4 S5	F2-R4 VanDerWaalsContact C-N 3.32Å; F2-R4 PolarHBondContact O-N 3.44Å; F2-S5 PolarHBondContact O-N 2.99Å
3	R	24.6	Very low	27.8	Very low	213 Å²	213	155.7 Å²	155.7	80%	0.804	78%	0.78	S	S	*	*	H	α-helix	trans	-72.4	-19.3	177.3	-143.4	178.2	-171.2	-174.9	2.2	114.5	M1	M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 2.92Å
4	R	27.7	Very low	27.9	Very low	222 Å²	222	157 Å²	157	84%	0.838	78%	0.782	S	S	*	*	H	α-helix	trans	-85.4	-19.2	174.8	-88.1	-176.2	174.7	174.7	-2.4	112.7	M1 F2	M1-R4 PolarHBondContact O-N 3.14Å; M1-R4 VanDerWaalsContact O-N 3.15Å; F2-R4 VanDerWaalsContact C-N 3.32Å; F2-R4 PolarHBondContact O-N 3.44Å
5	S	24.5	Very low	28.1	Very low	72 Å²	72	160.7 Å²	160.7	50%	0.503	79%	0.791	S	S	.	*	H	α-helix	trans	-86.7	-35.6	-177.7	-155	0	0	0	0	112.6	F2 R8	F2-S5 PolarHBondContact O-N 2.99Å; S5-R8 PolarHBondContact O-N 2.88Å
6	L	26.9	Very low	28.4	Very low	125 Å²	125	164.7 Å²	164.7	65%	0.654	80%	0.795	S	S	*	*	H	α-helix	trans	-71.1	-35.4	178	-106.4	99.2	0	0	0	113.2	R8 F9	L6-R8 PolarHBondContact O-N 2.97Å; L6-F9 PolarHBondContact O-N 3.5Å
7	N	30.3	Very low	29.1	Very low	125 Å²	125	163.6 Å²	163.6	67%	0.668	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-14.1	175.3	-79.2	15.3	0	0	0	113.3
8	R	28	Very low	30.6	Very low	219 Å²	219	156.3 Å²	156.3	83%	0.826	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-14.4	179.2	-122.3	179	-175.3	-176.9	-0.3	113.6	S5 L6	S5-R8 PolarHBondContact O-N 2.88Å; L6-R8 PolarHBondContact O-N 2.97Å
9	F	27.6	Very low	32.8	Very low	188 Å²	188	153.3 Å²	153.3	83%	0.825	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	-8.4	179.2	-96.4	-86.8	0	0	0	114	L6	L6-F9 PolarHBondContact O-N 3.5Å
10	C	31.4	Very low	35.3	Very low	121 Å²	121	145.7 Å²	145.7	82%	0.818	73%	0.727	S	S	*	*	S	Bend	trans	-124.6	17.4	-179.8	-66.6	0	0	0	0	115
11	A	30	Very low	37.7	Very low	73 Å²	73	140.3 Å²	140.3	60%	0.603	70%	0.702	S	S	*	*			trans	-147.3	75.6	175.4	0	0	0	0	0	110.9
12	G	26.6	Very low	40.4	Very low	85 Å²	85	130 Å²	130	88%	0.876	65%	0.652	S	S	*	*			trans	-91.2	61.7	150.6	0	0	0	0	0	109
13	E	30.2	Very low	43.5	Very low	184 Å²	184	123.4 Å²	123.4	86%	0.86	62%	0.623	S	S	*	*			trans	-104.5	92.7	161.3	-81.8	-172.2	163	0	0	106.9	K15	E13-K15 PolarHBondContact O-N 3.02Å
14	E	28.7	Very low	46.5	Very low	174 Å²	174	113.4 Å²	113.4	81%	0.813	59%	0.585	S	S	*	*			trans	-51.2	135	157.1	-69.5	179.6	151.2	0	0	108.3	R16	E14-R16 PolarHBondContact O-N 3.35Å
15	K	31.7	Very low	48.9	Very low	212 Å²	212	104.1 Å²	104.1	92%	0.922	56%	0.558	S	S	*	*			trans	-57	83.1	171.3	-74.9	178	173.1	-178.6	0	110.1	E13	E13-K15 PolarHBondContact O-N 3.02Å
16	R	31.6	Very low	51.2	Low	225 Å²	225	104.6 Å²	104.6	85%	0.849	56%	0.555	S	S	*	*			trans	-74.8	122.2	154.4	-77.4	-175.2	176.1	-175.7	-1.6	106.3	E14 G18	E14-R16 PolarHBondContact O-N 3.35Å; R16-G18 PolarHBondContact O-N 2.95Å
17	V	40.4	Very low	53.1	Low	147 Å²	147	102.8 Å²	102.8	89%	0.891	54%	0.543	S	S	*	.			trans	-66.5	79.7	165.3	-176.2	0	0	0	0	106.3
18	G	56.6	Low	54.7	Low	32 Å²	32	101.2 Å²	101.2	33%	0.33	54%	0.54	S	S	.	.			trans	-76.5	137.3	176.2	0	0	0	0	0	109.5	R16 Q213	R16-G18 PolarHBondContact O-N 2.95Å; G18-Q213 WeakPolarHBondContact O-CG 3.09Å
19	T	71.6	Confident	56.2	Low	98 Å²	98	93.2 Å²	93.2	60%	0.601	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	156.7	163.3	46.5	0	0	0	0	108.9
20	R	84.4	Confident	57.4	Low	2 Å²	2	86.9 Å²	86.9	1%	0.008	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	142.7	170.6	73.9	-174.6	-69.8	146.4	-6.5	109.3	E210 C211 V262 Y263 E267	R20-E210 WeakPolarHBondContact O-CA 3.45Å; R20-C211 WeakPolarHBondContact CD-SG 3.36Å; R20-C211 WeakPolarHBondContact CG-SG 3.46Å; R20-C211 PolarHBondContact N-O 3.35Å; R20-C211 PolarHBondContact O-N 2.98Å; R20-V262 VanDerWaalsContact CZ-O 3.26Å; R20-V262 PolarHBondContact NH2-O 2.87Å; R20-Y263 VanDerWaalsContact CD-CE1 3.44Å; R20-Y263 VanDerWaalsContact NH1-CD1 3.29Å; R20-E267 IonicContact CZ-OE2 2.82Å; R20-E267 IonicContact NH1-OE2 3.3Å; R20-E267 PolarHBondContact NH1-OE2 3.49Å; R20-E267 IonicContact NH2-OE2 2.83Å
21	T	85.4	Confident	58.2	Low	32 Å²	32	90.7 Å²	90.7	20%	0.196	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.9	177.6	-51.3	0	0	0	0	109.6	F23 I209 E210	T21-F23 HydrophobicContact CG2-CE2 4.39Å; T21-F23 HydrophobicContact CG2-CZ 4.26Å; T21-I209 CarbonylContact C-O 3.59Å; T21-I209 WeakPolarHBondContact CA-O 3.44Å; T21-E210 HydrophobicContact CG2-CG 4.1Å
22	V	87.9	Confident	58.8	Low	2 Å²	2	93.4 Å²	93.4	1%	0.012	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	133.4	-176.6	178.3	0	0	0	0	108.9	F40 V143 A208 I209	V22-F40 HydrophobicContact CG2-CZ 4.36Å; V22-V143 HydrophobicContact CB-CG1 4.15Å; V22-V143 HydrophobicContact CG1-CG1 3.63Å; V22-V143 HydrophobicContact CG2-CG1 3.44Å; V22-V143 VanDerWaalsContact CG2-CG1 3.44Å; V22-A208 CarbonylContact O-C 3.54Å; V22-A208 WeakPolarHBondContact O-CA 3.21Å; V22-I209 HydrophobicContact CB-CB 4.37Å; V22-I209 PolarHBondContact N-O 2.79Å; V22-I209 PolarHBondContact O-N 3.15Å
23	F	87.9	Confident	59.6	Low	41 Å²	41	96.6 Å²	96.6	18%	0.18	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	130.4	176.2	-64.3	-82.7	0	0	0	110.1	T21 G25 N26 V29 Y35 G144 A208	T21-F23 HydrophobicContact CG2-CE2 4.39Å; T21-F23 HydrophobicContact CG2-CZ 4.26Å; F23-G25 PolarHBondContact O-N 3.02Å; F23-N26 PolarHBondContact O-N 3.3Å; F23-V29 HydrophobicContact CD1-CG2 4.07Å; F23-V29 HydrophobicContact CE1-CG2 4.03Å; F23-Y35 HydrophobicContact CE2-CE1 4.38Å; F23-Y35 HydrophobicContact CE2-CE2 4.25Å; F23-G144 VanDerWaalsContact O-CA 3.31Å; F23-G144 WeakPolarHBondContact O-CA 3.14Å; F23-A208 HydrophobicContact CD1-CB 3.89Å; F23-A208 HydrophobicContact CE1-CB 3.81Å
24	V	86.7	Confident	60.1	Low	3 Å²	3	93 Å²	93	2%	0.018	50%	0.503	C	S	.	.	G	3₁₀ helix	trans	-66.8	128.3	176.9	-175.7	0	0	0	0	109.1	N26 V146 L162 L205 A207 I209 V260	V24-N26 PolarHBondContact O-N 2.69Å; V24-V146 HydrophobicContact CG1-CG2 3.78Å; V24-L162 HydrophobicContact CG1-CD1 4.18Å; V24-L205 HydrophobicContact CG1-CD2 4.28Å; V24-A207 HydrophobicContact CB-CB 4.45Å; V24-A207 HydrophobicContact CG2-CB 3.84Å; V24-A207 PolarHBondContact N-O 3.01Å; V24-I209 HydrophobicContact CG2-CD1 4.22Å; V24-V260 HydrophobicContact CG1-CG2 4.43Å; V24-V260 HydrophobicContact CG2-CG1 4.37Å; V24-V260 HydrophobicContact CG2-CG2 4.21Å
25	G	78	Confident	61.2	Low	26 Å²	26	90 Å²	90	27%	0.268	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	72.6	9.9	-178.7	0	0	0	0	0	114.8	F23 H27 G144	F23-G25 PolarHBondContact O-N 3.02Å; G25-H27 PolarHBondContact O-CD2 2.9Å; G25-H27 PolarHBondContact O-N 2.81Å; G25-H27 VanDerWaalsContact O-N 3.16Å; G25-G144 PolarHBondContact N-O 2.81Å
26	N	72.5	Confident	62.2	Low	83 Å²	83	87.2 Å²	87.2	44%	0.444	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	57	23.1	-176.1	-59.7	-51	0	0	0	114.7	F23 V24 P28 V143 D145	F23-N26 PolarHBondContact O-N 3.3Å; V24-N26 PolarHBondContact O-N 2.69Å; N26-P28 VanDerWaalsContact O-CD 3.32Å; N26-P28 WeakPolarHBondContact O-CD 3.31Å; N26-V143 PolarHBondContact OD1-O 2.73Å; N26-D145 PolarHBondContact ND2-OD1 3.45Å
27	H	68.5	Low	63.4	Low	86 Å²	86	80 Å²	80	40%	0.398	47%	0.467	S	S	.	.			trans	-90.9	110.4	175.8	-62	-54.5	0	0	0	110.4	G25	G25-H27 PolarHBondContact O-CD2 2.9Å; G25-H27 PolarHBondContact O-N 2.81Å; G25-H27 VanDerWaalsContact O-N 3.16Å
28	P	63.8	Low	64.5	Low	93 Å²	93	76.5 Å²	76.5	60%	0.604	44%	0.441	S	S	*	.			trans	-67.8	144.5	175.9	27.3	-32.5	0	0	0	111.1	N26	N26-P28 VanDerWaalsContact O-CD 3.32Å; N26-P28 WeakPolarHBondContact O-CD 3.31Å
29	V	58.7	Low	65.4	Low	50 Å²	50	86.5 Å²	86.5	30%	0.303	47%	0.469	S	S	.	.	S	Bend	trans	-82.8	-22.9	-173.1	177.2	0	0	0	0	112.9	F23 Y228	F23-V29 HydrophobicContact CD1-CG2 4.07Å; F23-V29 HydrophobicContact CE1-CG2 4.03Å; V29-Y228 HydrophobicContact CB-CE2 4.43Å; V29-Y228 HydrophobicContact CG1-CD1 4.14Å; V29-Y228 HydrophobicContact CG1-CD2 4.12Å; V29-Y228 HydrophobicContact CG1-CE1 4.06Å; V29-Y228 HydrophobicContact CG1-CE2 4.07Å; V29-Y228 HydrophobicContact CG1-CG 4.16Å; V29-Y228 HydrophobicContact CG2-CD2 3.85Å; V29-Y228 HydrophobicContact CG2-CE2 3.71Å
30	S	53	Low	66	Low	56 Å²	56	84.9 Å²	84.9	39%	0.392	45%	0.453	S	S	.	.			trans	-155.8	152.4	170.8	76.7	0	0	0	0	113.3	T32	S30-T32 VanDerWaalsContact C-N 3.33Å; S30-T32 PolarHBondContact OG-OG1 3.01Å
31	E	48.3	Very low	66.2	Low	201 Å²	201	86.7 Å²	86.7	94%	0.939	47%	0.466	S	S	*	.	S	Bend	trans	-83.6	-3.7	171.8	-72.8	-162.6	158.5	0	0	113.3
32	T	42	Very low	66.4	Low	129 Å²	129	89.2 Å²	89.2	79%	0.791	48%	0.478	S	S	*	.	S	Bend	trans	-98.1	-10.2	-166.7	43.9	0	0	0	0	115.3	S30	S30-T32 VanDerWaalsContact C-N 3.33Å; S30-T32 PolarHBondContact OG-OG1 3.01Å
33	E	43.4	Very low	66.6	Low	152 Å²	152	89.1 Å²	89.1	71%	0.71	48%	0.478	S	S	*	.	S	Bend	trans	-98.3	127.2	171.2	-69.8	-179	177.2	0	0	109	Y35	E33-Y35 PolarHBondContact O-N 2.84Å
34	A	40.9	Very low	66.6	Low	108 Å²	108	92.4 Å²	92.4	89%	0.893	49%	0.489	S	S	*	.			trans	-66.3	75.7	175.1	0	0	0	0	0	110.1	I36	A34-I36 PolarHBondContact O-N 3.08Å
35	Y	52.3	Low	66.5	Low	113 Å²	113	93.6 Å²	93.6	44%	0.443	50%	0.495	S	S	.	.			trans	-77.5	117	178.9	178.6	-108	0	0	0	109.3	F23 E33 A37	F23-Y35 HydrophobicContact CE2-CE1 4.38Å; F23-Y35 HydrophobicContact CE2-CE2 4.25Å; E33-Y35 PolarHBondContact O-N 2.84Å; Y35-A37 HydrophobicContact CD1-CB 4.43Å; Y35-A37 VanDerWaalsContact CE1-CA 3.45Å; Y35-A37 HydrophobicContact CE1-CB 4.16Å; Y35-A37 PolarHBondContact O-N 2.74Å
36	I	52	Low	66.7	Low	153 Å²	153	95.4 Å²	95.4	79%	0.785	50%	0.501	S	S	*	.			trans	-77.1	105.4	167.1	-58.9	172.6	0	0	0	106.2	A34 Q38	A34-I36 PolarHBondContact O-N 3.08Å; I36-Q38 PolarHBondContact O-N 2.79Å
37	A	56.1	Low	66.8	Low	72 Å²	72	92.3 Å²	92.3	60%	0.595	49%	0.485	S	S	*	.			trans	-54	106.6	176.1	0	0	0	0	0	110.7	Y35 R39	Y35-A37 HydrophobicContact CD1-CB 4.43Å; Y35-A37 VanDerWaalsContact CE1-CA 3.45Å; Y35-A37 HydrophobicContact CE1-CB 4.16Å; Y35-A37 PolarHBondContact O-N 2.74Å; A37-R39 PolarHBondContact O-N 2.9Å
38	Q	63.5	Low	67.2	Low	74 Å²	74	89 Å²	89	35%	0.346	47%	0.472	S	S	.	.			trans	-68.3	118.4	177.3	-166.3	167.5	12	0	0	107.7	I36 F40	I36-Q38 PolarHBondContact O-N 2.79Å; Q38-F40 HydrophobicContact CB-CE1 4.28Å; Q38-F40 HydrophobicContact CB-CZ 4.17Å; Q38-F40 HydrophobicContact CG-CE1 4.15Å; Q38-F40 PolarHBondContact O-N 2.81Å
39	R	75.4	Confident	67.6	Low	242 Å²	242	88.6 Å²	88.6	91%	0.913	46%	0.461	S	S	*	.			trans	-75.9	110.7	177.9	-71.2	-177.1	178.8	176.8	-0.2	108.8	A37	A37-R39 PolarHBondContact O-N 2.9Å
40	F	85.3	Confident	68.7	Low	64 Å²	64	86.8 Å²	86.8	28%	0.281	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-83.6	159.2	172.9	-55.9	-63.5	0	0	0	111.7	V22 Q38 V143	V22-F40 HydrophobicContact CG2-CZ 4.36Å; Q38-F40 HydrophobicContact CB-CE1 4.28Å; Q38-F40 HydrophobicContact CB-CZ 4.17Å; Q38-F40 HydrophobicContact CG-CE1 4.15Å; Q38-F40 PolarHBondContact O-N 2.81Å; F40-V143 HydrophobicContact CB-CB 4.07Å; F40-V143 HydrophobicContact CB-CG2 3.63Å; F40-V143 HydrophobicContact CD1-CB 4.48Å; F40-V143 HydrophobicContact CD1-CG1 4.3Å; F40-V143 HydrophobicContact CD1-CG2 4.27Å; F40-V143 HydrophobicContact CD2-CB 3.64Å; F40-V143 HydrophobicContact CD2-CG1 3.79Å; F40-V143 HydrophobicContact CD2-CG2 4.14Å; F40-V143 HydrophobicContact CE1-CG1 4.34Å; F40-V143 HydrophobicContact CE2-CB 4.19Å; F40-V143 HydrophobicContact CE2-CG1 3.84Å; F40-V143 HydrophobicContact CG-CB 3.8Å; F40-V143 HydrophobicContact CG-CG1 4.03Å; F40-V143 HydrophobicContact CG-CG2 3.75Å; F40-V143 HydrophobicContact CZ-CG1 4.12Å
41	C	87.6	Confident	70.3	Confident	41 Å²	41	87.2 Å²	87.2	28%	0.277	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-76.1	155.9	173.3	66.4	0	0	0	0	112.5	T264 E267	C41-T264 PolarHBondContact O-OG1 3.43Å; C41-T264 PolarHBondContact SG-O 2.89Å; C41-E267 WeakPolarHBondContact SG-CG 3.41Å
42	D	90.4	Very high	72	Confident	85 Å²	85	85.9 Å²	85.9	46%	0.455	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-75.1	155.6	176.8	-160	-2.9	0	0	0	111.4	R44 G265	D42-R44 PolarHBondContact O-N 3.43Å; D42-G265 VanDerWaalsContact O-CA 3.31Å; D42-G265 WeakPolarHBondContact O-CA 3.48Å
43	N	92.1	Very high	74.2	Confident	0 Å²	0	91 Å²	91	0%	0	45%	0.452	C	S	.	.	S	Bend	trans	-79.1	26.3	-177.7	-165.8	33.8	0	0	0	114.6	S138 I141 P156 K247 T264 G265	N43-S138 PolarHBondContact ND2-O 2.9Å; N43-S138 PolarHBondContact ND2-OG 2.89Å; N43-I141 HydrophobicContact CB-CB 4.15Å; N43-I141 WeakPolarHBondContact CB-O 3.45Å; N43-P156 PolarHBondContact ND2-O 2.95Å; N43-K247 PolarHBondContact OD1-NZ 2.89Å; N43-T264 HydrophobicContact CB-CG2 4.24Å; N43-G265 PolarHBondContact OD1-N 3.25Å
44	R	89.2	Confident	76.4	Confident	109 Å²	109	86.6 Å²	86.6	41%	0.411	43%	0.434	S	S	.	.			trans	-82.8	128.5	177.5	-165	-175.1	179.1	150.9	-4	111.4	D42 V46 E139	D42-R44 PolarHBondContact O-N 3.43Å; R44-V46 HydrophobicContact CG-CG2 4.11Å; R44-E139 HydrophobicContact CB-CG 3.92Å; R44-E139 WeakPolarHBondContact CD-OE1 3.19Å; R44-E139 HydrophobicContact CG-CG 4.14Å; R44-E139 WeakPolarHBondContact CG-OE1 3.41Å; R44-E139 IonicContact CZ-OE1 3.36Å; R44-E139 IonicContact NE-OE1 3.54Å; R44-E139 IonicContact NH1-OE1 3.73Å
45	I	83.7	Confident	78.7	Confident	28 Å²	28	83.7 Å²	83.7	14%	0.144	40%	0.401	C	S	.	.			trans	-86.4	130.1	167.1	-53.7	178	0	0	0	108.7	V120 N121	I45-V120 HydrophobicContact CD1-CB 4.39Å; I45-V120 HydrophobicContact CD1-CG1 3.54Å; I45-N121 PolarHBondContact N-OD1 2.81Å; I45-N121 PolarHBondContact O-ND2 3.31Å
46	V	82.1	Confident	80.5	Confident	64 Å²	64	83.6 Å²	83.6	39%	0.388	41%	0.408	S	S	.	.			trans	-129.3	97.9	174.3	-174.9	0	0	0	0	108.7	R44 S48	R44-V46 HydrophobicContact CG-CG2 4.11Å; V46-S48 WeakPolarHBondContact CG1-OG 3.23Å
47	S	74.2	Confident	82.4	Confident	18 Å²	18	80.6 Å²	80.6	13%	0.126	40%	0.398	C	S	.	.			trans	-96.1	-18.7	175.3	82.4	0	0	0	0	113.1	D117 Y274	S47-D117 WeakPolarHBondContact CA-OD2 3.47Å; S47-D117 WeakPolarHBondContact CB-OD1 3.26Å; S47-D117 PolarHBondContact N-OD2 3.28Å; S47-D117 PolarHBondContact OG-OD1 3.32Å; S47-D117 PolarHBondContact OG-OD2 3.13Å; S47-Y274 WeakPolarHBondContact CB-OH 3.45Å
48	S	76.4	Confident	83.8	Confident	17 Å²	17	81 Å²	81	12%	0.119	39%	0.386	C	S	.	.			trans	-57.1	146.8	174.5	66.9	0	0	0	0	113.8	V46 H114 D117	V46-S48 WeakPolarHBondContact CG1-OG 3.23Å; S48-H114 WeakPolarHBondContact CB-CE1 3.41Å; S48-H114 WeakPolarHBondContact CB-NE2 3.46Å; S48-H114 PolarHBondContact OG-CE1 2.85Å; S48-H114 PolarHBondContact OG-NE2 3.29Å; S48-D117 PolarHBondContact N-OD2 3.29Å
49	K	73.4	Confident	85	Confident	85 Å²	85	77.7 Å²	77.7	37%	0.37	37%	0.371	S	S	.	.	S	Bend	trans	-88.1	-33.6	177.5	-67.9	-176.8	-177.1	178.1	0	112.1	K58 D110	K49-K58 PolarHBondContact O-NZ 3.11Å; K49-D110 PolarHBondContact N-OD1 3.41Å
50	Y	82.3	Confident	85.6	Confident	11 Å²	11	69.1 Å²	69.1	4%	0.043	34%	0.343	C	S	.	.			trans	-114.1	149.7	-176.1	-47.9	-70.9	0	0	0	109.9	F55 K58 N59 E62 D110 H114	Y50-F55 HydrophobicContact CD1-CD2 4.39Å; Y50-F55 AromaticContact CD2-CD2 3.84Å; Y50-F55 HydrophobicContact CD2-CD2 3.84Å; Y50-F55 HydrophobicContact CD2-CE2 4.03Å; Y50-F55 HydrophobicContact CE2-CE2 4.46Å; Y50-F55 AromaticContact CG-CD2 3.74Å; Y50-F55 HydrophobicContact CG-CD2 3.74Å; Y50-F55 HydrophobicContact CG-CE2 4.36Å; Y50-K58 HydrophobicContact CD1-CB 4.15Å; Y50-K58 HydrophobicContact CD1-CD 3.98Å; Y50-K58 HydrophobicContact CD1-CG 4.16Å; Y50-K58 HydrophobicContact CE1-CB 4.33Å; Y50-K58 HydrophobicContact CE1-CD 4.23Å; Y50-K58 HydrophobicContact CE1-CG 4.08Å; Y50-N59 HydrophobicContact CE1-CB 4.33Å; Y50-E62 PolarHBondContact OH-OE2 3.13Å; Y50-D110 WeakPolarHBondContact CA-OD2 3.48Å; Y50-D110 WeakPolarHBondContact CB-OD2 3.42Å; Y50-D110 HydrophobicContact CD2-CB 3.83Å; Y50-D110 HydrophobicContact CE2-CB 4.45Å; Y50-D110 PolarHBondContact N-OD2 3.36Å; Y50-H114 PolarHBondContact O-CE1 3.34Å; Y50-H114 PolarHBondContact O-NE2 3.33Å
51	T	86.3	Confident	85.7	Confident	66 Å²	66	72.7 Å²	72.7	41%	0.405	36%	0.359	S	S	.	.			trans	-102.4	160.3	165.5	69.8	0	0	0	0	108.4	W53 N54 F55	T51-W53 PolarHBondContact O-N 3.39Å; T51-N54 PolarHBondContact N-OD1 3.26Å; T51-N54 PolarHBondContact O-N 3.04Å; T51-N54 PolarHBondContact O-OD1 2.83Å; T51-N54 PolarHBondContact OG1-N 2.85Å; T51-N54 VanDerWaalsContact OG1-N 3.1Å; T51-N54 PolarHBondContact OG1-ND2 3.12Å; T51-N54 PolarHBondContact OG1-OD1 3.18Å; T51-F55 WeakPolarHBondContact O-CB 3.33Å; T51-F55 PolarHBondContact O-N 3.1Å
52	L	82.6	Confident	85.4	Confident	172 Å²	172	73.6 Å²	73.6	90%	0.901	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-32.4	176.5	-66.6	172.4	0	0	0	112.6
53	W	88.6	Confident	85.1	Confident	237 Å²	237	69.6 Å²	69.6	90%	0.898	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-44.4	179.1	-81.1	94.9	0	0	0	114.1	T51	T51-W53 PolarHBondContact O-N 3.39Å
54	N	90.4	Very high	84.8	Confident	59 Å²	59	72.2 Å²	72.2	32%	0.316	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-0.4	-174	77.6	13	0	0	0	113.6	T51 L56 P57 K58	T51-N54 PolarHBondContact N-OD1 3.26Å; T51-N54 PolarHBondContact O-N 3.04Å; T51-N54 PolarHBondContact O-OD1 2.83Å; T51-N54 PolarHBondContact OG1-N 2.85Å; T51-N54 VanDerWaalsContact OG1-N 3.1Å; T51-N54 PolarHBondContact OG1-ND2 3.12Å; T51-N54 PolarHBondContact OG1-OD1 3.18Å; N54-L56 PolarHBondContact O-N 2.88Å; N54-P57 WeakPolarHBondContact O-CD 3.4Å; N54-K58 WeakPolarHBondContact O-CB 3.44Å; N54-K58 PolarHBondContact O-N 2.98Å
55	F	89.5	Confident	84.5	Confident	48 Å²	48	74 Å²	74	21%	0.211	36%	0.356	C	S	.	.	H	α-helix	trans	-52.3	-58.8	-179.3	177.4	-103.1	0	0	0	111.4	Y50 T51 N59 A103	Y50-F55 HydrophobicContact CD1-CD2 4.39Å; Y50-F55 AromaticContact CD2-CD2 3.84Å; Y50-F55 HydrophobicContact CD2-CD2 3.84Å; Y50-F55 HydrophobicContact CD2-CE2 4.03Å; Y50-F55 HydrophobicContact CE2-CE2 4.46Å; Y50-F55 AromaticContact CG-CD2 3.74Å; Y50-F55 HydrophobicContact CG-CD2 3.74Å; Y50-F55 HydrophobicContact CG-CE2 4.36Å; T51-F55 WeakPolarHBondContact O-CB 3.33Å; T51-F55 PolarHBondContact O-N 3.1Å; F55-N59 WeakPolarHBondContact CZ-ND2 3.47Å; F55-N59 WeakPolarHBondContact O-CB 3.38Å; F55-N59 PolarHBondContact O-N 3.24Å; F55-A103 HydrophobicContact CZ-CB 4.5Å; F55-A103 WeakPolarHBondContact CZ-O 3.29Å
56	L	89.9	Confident	84.3	Confident	111 Å²	111	75.3 Å²	75.3	58%	0.581	36%	0.359	S	S	*	.	H	α-helix	trans	-60.1	-54.8	-177.2	-81.9	160.2	0	0	0	112.9	N54 K58 L60	N54-L56 PolarHBondContact O-N 2.88Å; L56-K58 PolarHBondContact O-N 3.3Å; L56-L60 VanDerWaalsContact O-CB 3.29Å; L56-L60 WeakPolarHBondContact O-CB 2.99Å; L56-L60 VanDerWaalsContact O-CG 3.22Å; L56-L60 WeakPolarHBondContact O-CG 3.48Å; L56-L60 PolarHBondContact O-N 2.98Å
57	P	91.8	Very high	84.3	Confident	89 Å²	89	76.3 Å²	76.3	58%	0.578	36%	0.361	S	S	*	.	H	α-helix	trans	-61.1	-42	-178.7	-24.8	33.8	0	0	0	113.8	N54 F61	N54-P57 WeakPolarHBondContact O-CD 3.4Å; P57-F61 VanDerWaalsContact O-CB 3.3Å; P57-F61 WeakPolarHBondContact O-CB 3.14Å; P57-F61 PolarHBondContact O-N 3.03Å; P57-F61 VanDerWaalsContact O-N 3.14Å
58	K	86.1	Confident	84.6	Confident	82 Å²	82	75.5 Å²	75.5	36%	0.357	36%	0.355	S	S	.	.	H	α-helix	trans	-74.6	-43.1	-176.7	-168.9	174.3	174.7	-174.3	0	111.3	K49 Y50 N54 L56 F61 E62	K49-K58 PolarHBondContact O-NZ 3.11Å; Y50-K58 HydrophobicContact CD1-CB 4.15Å; Y50-K58 HydrophobicContact CD1-CD 3.98Å; Y50-K58 HydrophobicContact CD1-CG 4.16Å; Y50-K58 HydrophobicContact CE1-CB 4.33Å; Y50-K58 HydrophobicContact CE1-CD 4.23Å; Y50-K58 HydrophobicContact CE1-CG 4.08Å; N54-K58 WeakPolarHBondContact O-CB 3.44Å; N54-K58 PolarHBondContact O-N 2.98Å; L56-K58 PolarHBondContact O-N 3.3Å; K58-F61 PolarHBondContact O-N 3.05Å; K58-E62 WeakPolarHBondContact O-CG 3.3Å; K58-E62 PolarHBondContact O-N 2.78Å
59	N	87.4	Confident	85.1	Confident	3 Å²	3	74.8 Å²	74.8	2%	0.016	35%	0.35	C	S	.	.	H	α-helix	trans	-63.3	-50	177.4	-174.8	-4.7	0	0	0	111.3	Y50 F55 F61 E62 Q63 A103 Q106	Y50-N59 HydrophobicContact CE1-CB 4.33Å; F55-N59 WeakPolarHBondContact CZ-ND2 3.47Å; F55-N59 WeakPolarHBondContact O-CB 3.38Å; F55-N59 PolarHBondContact O-N 3.24Å; N59-F61 VanDerWaalsContact C-N 3.3Å; N59-F61 PolarHBondContact O-N 3.29Å; N59-E62 PolarHBondContact O-N 3.21Å; N59-E62 VanDerWaalsContact O-N 3.08Å; N59-Q63 WeakPolarHBondContact O-CG 3.36Å; N59-Q63 PolarHBondContact O-N 3.14Å; N59-Q63 WeakPolarHBondContact OD1-CG 3.44Å; N59-Q63 PolarHBondContact OD1-NE2 3.18Å; N59-A103 WeakPolarHBondContact ND2-CA 3.41Å; N59-A103 WeakPolarHBondContact ND2-CB 3.42Å; N59-Q106 PolarHBondContact OD1-OE1 3.35Å
60	L	88.4	Confident	85.8	Confident	62 Å²	62	76 Å²	76	33%	0.325	36%	0.356	S	S	.	.	H	α-helix	trans	-58.7	-43.3	177.3	-71.1	174.4	0	0	0	111.6	L56 E62 Q63 F64 I99	L56-L60 VanDerWaalsContact O-CB 3.29Å; L56-L60 WeakPolarHBondContact O-CB 2.99Å; L56-L60 VanDerWaalsContact O-CG 3.22Å; L56-L60 WeakPolarHBondContact O-CG 3.48Å; L56-L60 PolarHBondContact O-N 2.98Å; L60-E62 VanDerWaalsContact C-N 3.34Å; L60-E62 PolarHBondContact O-N 3.09Å; L60-Q63 PolarHBondContact O-N 3.2Å; L60-F64 HydrophobicContact CB-CD2 4.38Å; L60-F64 HydrophobicContact CB-CE2 4.39Å; L60-F64 HydrophobicContact CD2-CE2 4.22Å; L60-F64 WeakPolarHBondContact O-CD2 3.48Å; L60-F64 PolarHBondContact O-N 2.88Å; L60-I99 HydrophobicContact CD2-CG2 3.51Å
61	F	87.3	Confident	86.1	Confident	140 Å²	140	76.6 Å²	76.6	61%	0.614	36%	0.358	S	S	*	.	H	α-helix	trans	-60.7	-42.9	175.7	-177.4	-101	0	0	0	112	P57 K58 N59 R65	P57-F61 VanDerWaalsContact O-CB 3.3Å; P57-F61 WeakPolarHBondContact O-CB 3.14Å; P57-F61 PolarHBondContact O-N 3.03Å; P57-F61 VanDerWaalsContact O-N 3.14Å; K58-F61 PolarHBondContact O-N 3.05Å; N59-F61 VanDerWaalsContact C-N 3.3Å; N59-F61 PolarHBondContact O-N 3.29Å; F61-R65 HydrophobicContact CE1-CG 4.32Å; F61-R65 VanDerWaalsContact O-CG 3.3Å; F61-R65 WeakPolarHBondContact O-CG 3.17Å; F61-R65 PolarHBondContact O-N 3.36Å; F61-R65 VanDerWaalsContact O-N 3.17Å
62	E	81.7	Confident	86.2	Confident	59 Å²	59	73.7 Å²	73.7	28%	0.276	34%	0.339	S	S	.	.	H	α-helix	trans	-64.8	-39.4	176.8	-75	173.7	-177.1	0	0	112.6	Y50 K58 N59 L60 R65	Y50-E62 PolarHBondContact OH-OE2 3.13Å; K58-E62 WeakPolarHBondContact O-CG 3.3Å; K58-E62 PolarHBondContact O-N 2.78Å; N59-E62 PolarHBondContact O-N 3.21Å; N59-E62 VanDerWaalsContact O-N 3.08Å; L60-E62 VanDerWaalsContact C-N 3.34Å; L60-E62 PolarHBondContact O-N 3.09Å; E62-R65 PolarHBondContact O-N 3.09Å
63	Q	83.9	Confident	86.5	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-69.9	-39.7	177.2	-68	-171.4	27.8	0	0	112.8	N59 L60 R65 R66 N69 I99 T102	N59-Q63 WeakPolarHBondContact O-CG 3.36Å; N59-Q63 PolarHBondContact O-N 3.14Å; N59-Q63 WeakPolarHBondContact OD1-CG 3.44Å; N59-Q63 PolarHBondContact OD1-NE2 3.18Å; L60-Q63 PolarHBondContact O-N 3.2Å; Q63-R65 VanDerWaalsContact C-N 3.26Å; Q63-R65 PolarHBondContact O-N 2.9Å; Q63-R66 WeakPolarHBondContact O-CB 3.43Å; Q63-R66 PolarHBondContact O-N 3.29Å; Q63-R66 VanDerWaalsContact O-N 3.16Å; Q63-N69 PolarHBondContact O-ND2 2.9Å; Q63-I99 HydrophobicContact CB-CD1 4.08Å; Q63-I99 PolarHBondContact OE1-O 3.38Å; Q63-T102 HydrophobicContact CG-CG2 4.27Å
64	F	86.4	Confident	86.7	Confident	55 Å²	55	60.1 Å²	60.1	24%	0.241	29%	0.285	C	S	.	.	H	α-helix	trans	-76.8	-8.7	177.7	-72.6	-58	0	0	0	114	L60 R66 N69 L73 I99	L60-F64 HydrophobicContact CB-CD2 4.38Å; L60-F64 HydrophobicContact CB-CE2 4.39Å; L60-F64 HydrophobicContact CD2-CE2 4.22Å; L60-F64 WeakPolarHBondContact O-CD2 3.48Å; L60-F64 PolarHBondContact O-N 2.88Å; F64-R66 PolarHBondContact O-N 3.08Å; F64-N69 HydrophobicContact CD1-CB 3.96Å; F64-N69 HydrophobicContact CE1-CB 4.35Å; F64-L73 HydrophobicContact CD1-CB 4.43Å; F64-L73 HydrophobicContact CD1-CD2 4.09Å; F64-L73 HydrophobicContact CE1-CB 4Å; F64-L73 HydrophobicContact CE1-CD1 4.49Å; F64-L73 HydrophobicContact CE1-CD2 3.93Å; F64-L73 HydrophobicContact CE1-CG 4.37Å; F64-L73 HydrophobicContact CG-CD2 4.5Å; F64-L73 HydrophobicContact CZ-CD1 4.45Å; F64-L73 HydrophobicContact CZ-CD2 4.19Å; F64-I99 HydrophobicContact CE1-CD1 4.27Å; F64-I99 HydrophobicContact CZ-CD1 4.32Å
65	R	81.3	Confident	86.6	Confident	148 Å²	148	57.5 Å²	57.5	56%	0.558	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.3	165.2	-74.7	172.9	70.5	-164.3	-0.7	112.8	F61 E62 Q63	F61-R65 HydrophobicContact CE1-CG 4.32Å; F61-R65 VanDerWaalsContact O-CG 3.3Å; F61-R65 WeakPolarHBondContact O-CG 3.17Å; F61-R65 PolarHBondContact O-N 3.36Å; F61-R65 VanDerWaalsContact O-N 3.17Å; E62-R65 PolarHBondContact O-N 3.09Å; Q63-R65 VanDerWaalsContact C-N 3.26Å; Q63-R65 PolarHBondContact O-N 2.9Å
66	R	79.4	Confident	86.6	Confident	55 Å²	55	57.4 Å²	57.4	21%	0.208	27%	0.27	C	S	.	.	S	Bend	trans	-77.1	128.6	171.4	-60.4	-178.9	178	-170.4	-4.7	109.3	Q63 F64 A68 N69 F70 E364	Q63-R66 WeakPolarHBondContact O-CB 3.43Å; Q63-R66 PolarHBondContact O-N 3.29Å; Q63-R66 VanDerWaalsContact O-N 3.16Å; F64-R66 PolarHBondContact O-N 3.08Å; R66-A68 VanDerWaalsContact C-N 3.29Å; R66-A68 PolarHBondContact O-N 2.86Å; R66-N69 HydrophobicContact CB-CB 4.48Å; R66-N69 PolarHBondContact O-N 3.06Å; R66-F70 PolarHBondContact O-N 3.34Å; R66-F70 VanDerWaalsContact O-N 3.17Å; R66-E364 IonicContact CZ-OE1 2.7Å; R66-E364 VanDerWaalsContact CZ-OE1 3.28Å; R66-E364 IonicContact NH1-OE1 3.41Å; R66-E364 PolarHBondContact NH1-OE1 3.1Å; R66-E364 IonicContact NH2-OE1 3.27Å; R66-E364 PolarHBondContact NH2-OE1 3.13Å
67	I	82.3	Confident	86.7	Confident	85 Å²	85	56.8 Å²	56.8	44%	0.436	27%	0.267	S	S	.	.	H	α-helix	trans	-55.5	-43	-173.1	-62.6	170.4	0	0	0	111.7	F70 Y71 L292	I67-F70 PolarHBondContact O-N 2.95Å; I67-Y71 WeakPolarHBondContact O-CB 3.38Å; I67-Y71 PolarHBondContact O-N 3.14Å; I67-L292 HydrophobicContact CB-CD2 4.02Å; I67-L292 HydrophobicContact CG2-CD2 3.84Å
68	A	80.8	Confident	86.6	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-46.5	-178.8	0	0	0	0	0	113.2	R66 F70 Y71 F72 L292 Y360	R66-A68 VanDerWaalsContact C-N 3.29Å; R66-A68 PolarHBondContact O-N 2.86Å; A68-F70 VanDerWaalsContact C-N 3.26Å; A68-F70 PolarHBondContact O-N 2.97Å; A68-Y71 WeakPolarHBondContact O-CB 3.3Å; A68-Y71 PolarHBondContact O-N 3Å; A68-Y71 VanDerWaalsContact O-N 3.15Å; A68-F72 HydrophobicContact CB-CE2 4.45Å; A68-F72 WeakPolarHBondContact O-CD2 3.26Å; A68-F72 PolarHBondContact O-N 2.8Å; A68-L292 HydrophobicContact CB-CD2 3.91Å; A68-Y360 HydrophobicContact CB-CD2 4Å; A68-Y360 HydrophobicContact CB-CE2 3.17Å
69	N	86.4	Confident	86.7	Confident	3 Å²	3	50 Å²	50	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-40.3	178.8	-71	-14.5	0	0	0	111	Q63 F64 R66 L73 I99	Q63-N69 PolarHBondContact O-ND2 2.9Å; F64-N69 HydrophobicContact CD1-CB 3.96Å; F64-N69 HydrophobicContact CE1-CB 4.35Å; R66-N69 HydrophobicContact CB-CB 4.48Å; R66-N69 PolarHBondContact O-N 3.06Å; N69-L73 WeakPolarHBondContact O-CB 3.29Å; N69-L73 PolarHBondContact O-N 3.36Å; N69-I99 HydrophobicContact CB-CD1 4.46Å
70	F	88.6	Confident	86.8	Confident	111 Å²	111	54.2 Å²	54.2	49%	0.487	26%	0.256	S	S	.	.	H	α-helix	trans	-65.4	-42.7	174.8	-173.9	-114.5	0	0	0	112.4	R66 I67 A68 L73 I74	R66-F70 PolarHBondContact O-N 3.34Å; R66-F70 VanDerWaalsContact O-N 3.17Å; I67-F70 PolarHBondContact O-N 2.95Å; A68-F70 VanDerWaalsContact C-N 3.26Å; A68-F70 PolarHBondContact O-N 2.97Å; F70-L73 WeakPolarHBondContact O-CB 3.32Å; F70-L73 PolarHBondContact O-N 3.21Å; F70-I74 HydrophobicContact CD1-CD1 3.91Å; F70-I74 HydrophobicContact CE1-CD1 3.51Å; F70-I74 HydrophobicContact CE1-CG1 4.44Å; F70-I74 HydrophobicContact CZ-CD1 3.85Å; F70-I74 HydrophobicContact CZ-CG1 4.39Å; F70-I74 WeakPolarHBondContact O-CG1 3.34Å; F70-I74 PolarHBondContact O-N 3.15Å; F70-I74 VanDerWaalsContact O-N 3.07Å
71	Y	89.1	Confident	86.7	Confident	23 Å²	23	56.6 Å²	56.6	9%	0.09	27%	0.273	C	S	.	.	H	α-helix	trans	-58.1	-48.1	174.6	165.5	-96.1	0	0	0	112	I67 A68 L73 I74 I75 L296 L299 M348 I355	I67-Y71 WeakPolarHBondContact O-CB 3.38Å; I67-Y71 PolarHBondContact O-N 3.14Å; A68-Y71 WeakPolarHBondContact O-CB 3.3Å; A68-Y71 PolarHBondContact O-N 3Å; A68-Y71 VanDerWaalsContact O-N 3.15Å; Y71-L73 VanDerWaalsContact C-N 3.31Å; Y71-L73 PolarHBondContact O-N 2.89Å; Y71-I74 WeakPolarHBondContact O-CB 3.4Å; Y71-I74 PolarHBondContact O-N 3.47Å; Y71-I74 VanDerWaalsContact O-N 3.17Å; Y71-I75 HydrophobicContact CD1-CG1 4.45Å; Y71-I75 HydrophobicContact CD2-CG1 4.32Å; Y71-I75 HydrophobicContact CE1-CG1 3.92Å; Y71-I75 HydrophobicContact CE2-CD1 3.98Å; Y71-I75 HydrophobicContact CE2-CG1 3.79Å; Y71-I75 WeakPolarHBondContact O-CG1 3.46Å; Y71-I75 PolarHBondContact O-N 2.79Å; Y71-L296 HydrophobicContact CD2-CD1 4.08Å; Y71-L296 HydrophobicContact CE2-CD1 3.9Å; Y71-L299 HydrophobicContact CE2-CD2 4.13Å; Y71-L299 WeakPolarHBondContact OH-CD2 3.47Å; Y71-M348 HydrophobicContact CE2-CE 4.45Å; Y71-I355 HydrophobicContact CD1-CD1 3.94Å; Y71-I355 HydrophobicContact CD2-CD1 4.5Å; Y71-I355 HydrophobicContact CE1-CB 4.22Å; Y71-I355 HydrophobicContact CE1-CD1 3.64Å; Y71-I355 HydrophobicContact CE1-CG1 4.38Å; Y71-I355 HydrophobicContact CE2-CD1 4.23Å; Y71-I355 HydrophobicContact CG-CD1 4.37Å
72	F	87.9	Confident	86.7	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.018	25%	0.251	C	S	.	.	H	α-helix	trans	-66.8	-32.5	179.2	-73.3	-61.6	0	0	0	113.3	A68 I75 F76 L95 I355 V357	A68-F72 HydrophobicContact CB-CE2 4.45Å; A68-F72 WeakPolarHBondContact O-CD2 3.26Å; A68-F72 PolarHBondContact O-N 2.8Å; F72-I75 PolarHBondContact O-N 3.1Å; F72-F76 WeakPolarHBondContact O-CB 3.24Å; F72-F76 PolarHBondContact O-N 3.15Å; F72-L95 HydrophobicContact CB-CD1 3.98Å; F72-L95 HydrophobicContact CB-CD2 4.18Å; F72-L95 HydrophobicContact CB-CG 4.5Å; F72-I355 HydrophobicContact CE2-CG2 3.78Å; F72-I355 HydrophobicContact CZ-CB 3.84Å; F72-I355 HydrophobicContact CZ-CG2 3.52Å; F72-I355 WeakPolarHBondContact CZ-O 3.49Å; F72-V357 HydrophobicContact CD1-CG2 3.61Å; F72-V357 HydrophobicContact CD2-CB 4.32Å; F72-V357 HydrophobicContact CD2-CG1 4.1Å; F72-V357 HydrophobicContact CD2-CG2 3.85Å; F72-V357 HydrophobicContact CE1-CB 4.45Å; F72-V357 HydrophobicContact CE1-CG2 3.2Å; F72-V357 HydrophobicContact CE2-CB 3.92Å; F72-V357 HydrophobicContact CE2-CG1 4.19Å; F72-V357 HydrophobicContact CE2-CG2 3.47Å; F72-V357 VanDerWaalsContact CE2-CG2 3.47Å; F72-V357 HydrophobicContact CG-CG2 3.93Å; F72-V357 HydrophobicContact CZ-CB 4.01Å; F72-V357 HydrophobicContact CZ-CG2 3.13Å
73	L	90.2	Very high	86.6	Confident	49 Å²	49	55.7 Å²	55.7	26%	0.257	28%	0.277	S	S	.	.	H	α-helix	trans	-61.9	-43.9	171.9	-178.6	64.2	0	0	0	111.3	F64 N69 F70 Y71 F76 L77 L95	F64-L73 HydrophobicContact CD1-CB 4.43Å; F64-L73 HydrophobicContact CD1-CD2 4.09Å; F64-L73 HydrophobicContact CE1-CB 4Å; F64-L73 HydrophobicContact CE1-CD1 4.49Å; F64-L73 HydrophobicContact CE1-CD2 3.93Å; F64-L73 HydrophobicContact CE1-CG 4.37Å; F64-L73 HydrophobicContact CG-CD2 4.5Å; F64-L73 HydrophobicContact CZ-CD1 4.45Å; F64-L73 HydrophobicContact CZ-CD2 4.19Å; N69-L73 WeakPolarHBondContact O-CB 3.29Å; N69-L73 PolarHBondContact O-N 3.36Å; F70-L73 WeakPolarHBondContact O-CB 3.32Å; F70-L73 PolarHBondContact O-N 3.21Å; Y71-L73 VanDerWaalsContact C-N 3.31Å; Y71-L73 PolarHBondContact O-N 2.89Å; L73-F76 PolarHBondContact O-N 2.88Å; L73-L77 HydrophobicContact CG-CD1 4.41Å; L73-L77 WeakPolarHBondContact O-CG 3.36Å; L73-L77 PolarHBondContact O-N 3.47Å; L73-L95 HydrophobicContact CB-CD2 4.42Å
74	I	90.9	Very high	86.7	Confident	76 Å²	76	57 Å²	57	39%	0.39	29%	0.285	S	S	.	.	H	α-helix	trans	-61.3	-47.1	175.6	-68.3	168.3	0	0	0	110.5	F70 Y71 F76 L77 V78	F70-I74 HydrophobicContact CD1-CD1 3.91Å; F70-I74 HydrophobicContact CE1-CD1 3.51Å; F70-I74 HydrophobicContact CE1-CG1 4.44Å; F70-I74 HydrophobicContact CZ-CD1 3.85Å; F70-I74 HydrophobicContact CZ-CG1 4.39Å; F70-I74 WeakPolarHBondContact O-CG1 3.34Å; F70-I74 PolarHBondContact O-N 3.15Å; F70-I74 VanDerWaalsContact O-N 3.07Å; Y71-I74 WeakPolarHBondContact O-CB 3.4Å; Y71-I74 PolarHBondContact O-N 3.47Å; Y71-I74 VanDerWaalsContact O-N 3.17Å; I74-F76 VanDerWaalsContact C-N 3.31Å; I74-F76 PolarHBondContact O-N 2.91Å; I74-L77 PolarHBondContact O-N 3.44Å; I74-V78 HydrophobicContact CG2-CG2 4.36Å; I74-V78 WeakPolarHBondContact O-CG2 3.28Å; I74-V78 PolarHBondContact O-N 3.19Å
75	I	89.7	Confident	86.3	Confident	4 Å²	4	57 Å²	57	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-39.4	179.5	-66.7	-63.7	0	0	0	111.7	Y71 F72 V78 Q79 M348 V349 N352	Y71-I75 HydrophobicContact CD1-CG1 4.45Å; Y71-I75 HydrophobicContact CD2-CG1 4.32Å; Y71-I75 HydrophobicContact CE1-CG1 3.92Å; Y71-I75 HydrophobicContact CE2-CD1 3.98Å; Y71-I75 HydrophobicContact CE2-CG1 3.79Å; Y71-I75 WeakPolarHBondContact O-CG1 3.46Å; Y71-I75 PolarHBondContact O-N 2.79Å; F72-I75 PolarHBondContact O-N 3.1Å; I75-V78 PolarHBondContact O-N 3.36Å; I75-Q79 WeakPolarHBondContact O-CG 3.33Å; I75-Q79 PolarHBondContact O-N 2.82Å; I75-M348 HydrophobicContact CD1-CE 4.03Å; I75-V349 HydrophobicContact CG2-CG2 4.29Å; I75-N352 HydrophobicContact CG2-CB 4.17Å; I75-N352 WeakPolarHBondContact CG2-ND2 3.39Å
76	F	90.1	Very high	86.3	Confident	46 Å²	46	50.4 Å²	50.4	20%	0.202	27%	0.267	C	S	.	.	H	α-helix	trans	-63.1	-44.8	174.7	176.2	-112.5	0	0	0	111.8	F72 L73 I74 V78 Q79 V80 P88 F96	F72-F76 WeakPolarHBondContact O-CB 3.24Å; F72-F76 PolarHBondContact O-N 3.15Å; L73-F76 PolarHBondContact O-N 2.88Å; I74-F76 VanDerWaalsContact C-N 3.31Å; I74-F76 PolarHBondContact O-N 2.91Å; F76-V78 VanDerWaalsContact C-N 3.32Å; F76-V78 PolarHBondContact O-N 2.89Å; F76-Q79 PolarHBondContact O-N 3.37Å; F76-V80 HydrophobicContact CE1-CG2 4.46Å; F76-V80 HydrophobicContact CE2-CG2 4.09Å; F76-V80 HydrophobicContact CZ-CG2 4.07Å; F76-V80 WeakPolarHBondContact O-CG2 3.31Å; F76-V80 PolarHBondContact O-N 2.96Å; F76-V80 VanDerWaalsContact O-N 3.15Å; F76-P88 HydrophobicContact CE2-CB 4.41Å; F76-F96 HydrophobicContact CE1-CE2 4.45Å; F76-F96 HydrophobicContact CE1-CZ 4.43Å; F76-F96 HydrophobicContact CZ-CE2 4.2Å
77	L	90.4	Very high	86.5	Confident	98 Å²	98	50.7 Å²	50.7	51%	0.513	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-40	175	-69.8	170.8	0	0	0	112.1	L73 I74 V80 T81	L73-L77 HydrophobicContact CG-CD1 4.41Å; L73-L77 WeakPolarHBondContact O-CG 3.36Å; L73-L77 PolarHBondContact O-N 3.47Å; I74-L77 PolarHBondContact O-N 3.44Å; L77-V80 PolarHBondContact O-N 3.11Å; L77-T81 WeakPolarHBondContact O-CG2 3.28Å; L77-T81 PolarHBondContact O-N 2.88Å; L77-T81 VanDerWaalsContact O-N 3.13Å; L77-T81 PolarHBondContact O-OG1 2.73Å
78	V	90	Very high	86.7	Confident	21 Å²	21	49 Å²	49	13%	0.127	27%	0.272	C	S	.	.	H	α-helix	trans	-61.4	-44.5	174.7	170.4	0	0	0	0	111.2	I74 I75 F76 V80 T81 V82 L345 V349	I74-V78 HydrophobicContact CG2-CG2 4.36Å; I74-V78 WeakPolarHBondContact O-CG2 3.28Å; I74-V78 PolarHBondContact O-N 3.19Å; I75-V78 PolarHBondContact O-N 3.36Å; F76-V78 VanDerWaalsContact C-N 3.32Å; F76-V78 PolarHBondContact O-N 2.89Å; V78-V80 VanDerWaalsContact C-N 3.29Å; V78-V80 PolarHBondContact O-N 2.66Å; V78-T81 WeakPolarHBondContact CA-OG1 3.44Å; V78-T81 PolarHBondContact O-N 2.81Å; V78-T81 PolarHBondContact O-OG1 3.19Å; V78-V82 HydrophobicContact CG1-CG2 4.37Å; V78-V82 WeakPolarHBondContact O-CB 3.31Å; V78-V82 PolarHBondContact O-N 3.08Å; V78-L345 HydrophobicContact CG1-CB 4.05Å; V78-L345 HydrophobicContact CG1-CD1 4.15Å; V78-L345 HydrophobicContact CG1-CD2 4.39Å; V78-L345 HydrophobicContact CG1-CG 4.44Å; V78-V349 HydrophobicContact CG1-CG2 4.04Å
79	Q	88.5	Confident	86.8	Confident	6 Å²	6	53.3 Å²	53.3	3%	0.028	30%	0.298	C	S	.	.	H	α-helix	trans	-64.7	-29.1	178.1	-77.1	-173.7	-31.4	0	0	114.4	I75 F76 T86 P88 S91 V349	I75-Q79 WeakPolarHBondContact O-CG 3.33Å; I75-Q79 PolarHBondContact O-N 2.82Å; F76-Q79 PolarHBondContact O-N 3.37Å; Q79-T86 PolarHBondContact NE2-OG1 2.72Å; Q79-P88 HydrophobicContact CB-CB 4.45Å; Q79-P88 HydrophobicContact CB-CG 4.41Å; Q79-S91 PolarHBondContact NE2-OG 3.43Å; Q79-S91 PolarHBondContact OE1-OG 3.43Å; Q79-V349 HydrophobicContact CG-CB 4.44Å; Q79-V349 HydrophobicContact CG-CG1 3.64Å; Q79-V349 HydrophobicContact CG-CG2 3.87Å
80	V	89.5	Confident	86.5	Confident	92 Å²	92	53.4 Å²	53.4	56%	0.558	30%	0.299	S	S	*	.	H	α-helix	trans	-80.2	-29.6	178.3	173.7	0	0	0	0	111.5	F76 L77 V78 P88	F76-V80 HydrophobicContact CE1-CG2 4.46Å; F76-V80 HydrophobicContact CE2-CG2 4.09Å; F76-V80 HydrophobicContact CZ-CG2 4.07Å; F76-V80 WeakPolarHBondContact O-CG2 3.31Å; F76-V80 PolarHBondContact O-N 2.96Å; F76-V80 VanDerWaalsContact O-N 3.15Å; L77-V80 PolarHBondContact O-N 3.11Å; V78-V80 VanDerWaalsContact C-N 3.29Å; V78-V80 PolarHBondContact O-N 2.66Å; V80-P88 HydrophobicContact CG2-CB 4.33Å
81	T	86.9	Confident	86.1	Confident	113 Å²	113	48.4 Å²	48.4	69%	0.693	28%	0.278	S	S	*	.	H	α-helix	trans	-92.4	-27.1	-176.5	49	0	0	0	0	113.6	L77 V78	L77-T81 WeakPolarHBondContact O-CG2 3.28Å; L77-T81 PolarHBondContact O-N 2.88Å; L77-T81 VanDerWaalsContact O-N 3.13Å; L77-T81 PolarHBondContact O-OG1 2.73Å; V78-T81 WeakPolarHBondContact CA-OG1 3.44Å; V78-T81 PolarHBondContact O-N 2.81Å; V78-T81 PolarHBondContact O-OG1 3.19Å
82	V	85.8	Confident	85.9	Confident	26 Å²	26	47.4 Å²	47.4	16%	0.158	28%	0.275	C	S	.	.	S	Bend	trans	-117.3	136.9	-175.1	-177	0	0	0	0	110.1	V78 T84 T342 L345	V78-V82 HydrophobicContact CG1-CG2 4.37Å; V78-V82 WeakPolarHBondContact O-CB 3.31Å; V78-V82 PolarHBondContact O-N 3.08Å; V82-T84 HydrophobicContact CB-CG2 4.21Å; V82-T84 HydrophobicContact CG1-CG2 4.16Å; V82-T84 PolarHBondContact O-N 3.25Å; V82-T342 HydrophobicContact CG1-CG2 3.68Å; V82-L345 HydrophobicContact CG2-CD1 4.25Å
83	D	81.1	Confident	85.7	Confident	153 Å²	153	51.7 Å²	51.7	82%	0.818	30%	0.297	S	S	*	.			trans	-64.5	103.3	171	-70.5	-37.5	0	0	0	109.8
84	T	85.1	Confident	85.3	Confident	28 Å²	28	50 Å²	50	17%	0.172	29%	0.289	C	S	.	.			trans	-116.8	153.1	-175.3	50.9	0	0	0	0	111.3	V82 T86 V349	V82-T84 HydrophobicContact CB-CG2 4.21Å; V82-T84 HydrophobicContact CG1-CG2 4.16Å; V82-T84 PolarHBondContact O-N 3.25Å; T84-T86 PolarHBondContact O-N 3.14Å; T84-T86 PolarHBondContact OG1-O 3Å; T84-V349 HydrophobicContact CG2-CB 4.37Å; T84-V349 HydrophobicContact CG2-CG1 4.41Å; T84-V349 HydrophobicContact CG2-CG2 4.11Å
85	P	79.4	Confident	85	Confident	56 Å²	56	46.6 Å²	46.6	36%	0.364	27%	0.272	S	S	.	.	S	Bend	trans	-69.2	-19.9	-172.5	26.1	-36.5	0	0	0	113.8	S346 L350 Q896	P85-S346 WeakPolarHBondContact CD-OG 3.43Å; P85-L350 HydrophobicContact CG-CD1 4.31Å; P85-Q896 HydrophobicContact CG-CB 4.1Å
86	T	80.8	Confident	84.9	Confident	9 Å²	9	52.2 Å²	52.2	6%	0.055	30%	0.296	C	S	.	.	S	Bend	trans	-106.6	139.2	178.8	56	0	0	0	0	110.3	Q79 T84 V349 L350 L905	Q79-T86 PolarHBondContact NE2-OG1 2.72Å; T84-T86 PolarHBondContact O-N 3.14Å; T84-T86 PolarHBondContact OG1-O 3Å; T86-V349 VanDerWaalsContact OG1-CG1 3.28Å; T86-V349 WeakPolarHBondContact OG1-CG1 3.35Å; T86-L350 HydrophobicContact CG2-CD1 4.42Å; T86-L905 HydrophobicContact CG2-CD1 4.31Å
87	S	83.8	Confident	84.6	Confident	62 Å²	62	54.9 Å²	54.9	43%	0.434	31%	0.308	S	S	.	.			trans	-61.4	142.8	176.9	179.5	0	0	0	0	111.9	V89 T90	S87-V89 PolarHBondContact O-N 3Å; S87-V89 PolarHBondContact OG-N 3.45Å; S87-T90 PolarHBondContact O-N 3.08Å; S87-T90 PolarHBondContact O-OG1 3.4Å
88	P	85	Confident	84.2	Confident	48 Å²	48	50.4 Å²	50.4	31%	0.312	28%	0.284	S	S	.	.	H	α-helix	trans	-54.1	-25.4	174.2	-27.6	34.9	0	0	0	114.4	F76 Q79 V80 T90 S91 G92	F76-P88 HydrophobicContact CE2-CB 4.41Å; Q79-P88 HydrophobicContact CB-CB 4.45Å; Q79-P88 HydrophobicContact CB-CG 4.41Å; V80-P88 HydrophobicContact CG2-CB 4.33Å; P88-T90 PolarHBondContact O-N 3.07Å; P88-S91 PolarHBondContact O-N 3.19Å; P88-G92 PolarHBondContact O-N 3.36Å
89	V	83.7	Confident	84.1	Confident	91 Å²	91	50 Å²	50	55%	0.552	28%	0.282	S	S	*	.	H	α-helix	trans	-60.2	-35.5	176.4	-180	0	0	0	0	111.4	S87 S91 L93	S87-V89 PolarHBondContact O-N 3Å; S87-V89 PolarHBondContact OG-N 3.45Å; V89-S91 VanDerWaalsContact C-N 3.31Å; V89-S91 PolarHBondContact O-N 3.14Å; V89-L93 HydrophobicContact CG1-CB 4.47Å; V89-L93 HydrophobicContact CG1-CD1 4.45Å; V89-L93 VanDerWaalsContact O-CB 3.27Å; V89-L93 WeakPolarHBondContact O-CB 3.4Å; V89-L93 PolarHBondContact O-N 3.48Å; V89-L93 VanDerWaalsContact O-N 3.11Å
90	T	80.6	Confident	84.1	Confident	6 Å²	6	53.4 Å²	53.4	4%	0.037	30%	0.303	C	S	.	.	H	α-helix	trans	-70	-26.4	-173.8	65.6	0	0	0	0	113.3	S87 P88 P94 A902 T906	S87-T90 PolarHBondContact O-N 3.08Å; S87-T90 PolarHBondContact O-OG1 3.4Å; P88-T90 PolarHBondContact O-N 3.07Å; T90-P94 WeakPolarHBondContact O-CD 3.4Å; T90-P94 WeakPolarHBondContact O-CG 3.47Å; T90-A902 HydrophobicContact CG2-CB 4.28Å; T90-T906 HydrophobicContact CG2-CG2 3.78Å
91	S	80.2	Confident	83.9	Confident	6 Å²	6	50.3 Å²	50.3	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-102	-33	175.5	-48.4	0	0	0	0	112.9	Q79 P88 V89 N352	Q79-S91 PolarHBondContact NE2-OG 3.43Å; Q79-S91 PolarHBondContact OE1-OG 3.43Å; P88-S91 PolarHBondContact O-N 3.19Å; V89-S91 VanDerWaalsContact C-N 3.31Å; V89-S91 PolarHBondContact O-N 3.14Å; S91-N352 PolarHBondContact OG-ND2 3.42Å; S91-N352 VanDerWaalsContact OG-ND2 3.08Å
92	G	84.1	Confident	83.6	Confident	2 Å²	2	45.1 Å²	45.1	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-69	-46.8	-179.8	0	0	0	0	0	113	P88 L95 F96	P88-G92 PolarHBondContact O-N 3.36Å; G92-L95 PolarHBondContact O-N 3.22Å; G92-L95 VanDerWaalsContact O-N 3.14Å; G92-F96 WeakPolarHBondContact O-CD2 3.49Å; G92-F96 PolarHBondContact O-N 3.36Å
93	L	84.5	Confident	83.7	Confident	93 Å²	93	44.7 Å²	44.7	49%	0.487	25%	0.251	S	S	.	.	H	α-helix	trans	-59.5	-47	-175.6	-176.1	153.6	0	0	0	113	V89 L95 F96 F97 I910	V89-L93 HydrophobicContact CG1-CB 4.47Å; V89-L93 HydrophobicContact CG1-CD1 4.45Å; V89-L93 VanDerWaalsContact O-CB 3.27Å; V89-L93 WeakPolarHBondContact O-CB 3.4Å; V89-L93 PolarHBondContact O-N 3.48Å; V89-L93 VanDerWaalsContact O-N 3.11Å; L93-L95 VanDerWaalsContact C-N 3.33Å; L93-L95 PolarHBondContact O-N 3.35Å; L93-F96 PolarHBondContact O-N 2.72Å; L93-F97 WeakPolarHBondContact O-CB 3.34Å; L93-F97 PolarHBondContact O-N 3.21Å; L93-I910 HydrophobicContact CD2-CD1 4.03Å
94	P	80.6	Confident	84	Confident	13 Å²	13	43 Å²	43	8%	0.084	24%	0.241	C	C	.	.	H	α-helix	trans	-57.4	-44.2	173.7	-22.2	30	0	0	0	112.8	T90 F97 V98 V357 I910	T90-P94 WeakPolarHBondContact O-CD 3.4Å; T90-P94 WeakPolarHBondContact O-CG 3.47Å; P94-F97 PolarHBondContact O-N 2.92Å; P94-V98 WeakPolarHBondContact O-CG2 3.48Å; P94-V98 PolarHBondContact O-N 2.95Å; P94-V357 HydrophobicContact CB-CB 4.39Å; P94-V357 HydrophobicContact CB-CG1 4.12Å; P94-V357 HydrophobicContact CB-CG2 4.49Å; P94-I910 HydrophobicContact CB-CD1 4.28Å; P94-I910 HydrophobicContact CG-CD1 4.1Å
95	L	84.8	Confident	83.9	Confident	5 Å²	5	42.6 Å²	42.6	3%	0.026	24%	0.237	C	C	.	.	H	α-helix	trans	-62.9	-49.6	-179.8	178.5	62.4	0	0	0	111.6	F72 L73 G92 L93 F97 V98 I99	F72-L95 HydrophobicContact CB-CD1 3.98Å; F72-L95 HydrophobicContact CB-CD2 4.18Å; F72-L95 HydrophobicContact CB-CG 4.5Å; L73-L95 HydrophobicContact CB-CD2 4.42Å; G92-L95 PolarHBondContact O-N 3.22Å; G92-L95 VanDerWaalsContact O-N 3.14Å; L93-L95 VanDerWaalsContact C-N 3.33Å; L93-L95 PolarHBondContact O-N 3.35Å; L95-F97 VanDerWaalsContact C-N 3.29Å; L95-F97 PolarHBondContact O-N 2.94Å; L95-V98 PolarHBondContact O-N 2.96Å; L95-I99 HydrophobicContact CD1-CD1 4.44Å; L95-I99 HydrophobicContact CD1-CG1 4.07Å; L95-I99 HydrophobicContact CG-CG1 4.44Å; L95-I99 VanDerWaalsContact O-CG1 3.3Å; L95-I99 WeakPolarHBondContact O-CG1 3.41Å; L95-I99 PolarHBondContact O-N 3.36Å
96	F	87.6	Confident	83.9	Confident	123 Å²	123	41.3 Å²	41.3	54%	0.539	23%	0.226	S	C	.	.	H	α-helix	trans	-60.9	-39.9	178.2	-74.7	-65.4	0	0	0	112.1	F76 G92 L93 I99 T100	F76-F96 HydrophobicContact CE1-CE2 4.45Å; F76-F96 HydrophobicContact CE1-CZ 4.43Å; F76-F96 HydrophobicContact CZ-CE2 4.2Å; G92-F96 WeakPolarHBondContact O-CD2 3.49Å; G92-F96 PolarHBondContact O-N 3.36Å; L93-F96 PolarHBondContact O-N 2.72Å; F96-I99 PolarHBondContact O-N 3.42Å; F96-T100 VanDerWaalsContact O-CB 3.27Å; F96-T100 WeakPolarHBondContact O-CB 3.33Å; F96-T100 PolarHBondContact O-N 3.03Å; F96-T100 PolarHBondContact O-OG1 3.35Å
97	F	84.6	Confident	84.2	Confident	102 Å²	102	41.9 Å²	41.9	45%	0.447	23%	0.234	S	C	.	.	H	α-helix	trans	-59.4	-48.1	174.9	179.3	-100	0	0	0	111.3	L93 P94 L95 I99 T100 V101 V361	L93-F97 WeakPolarHBondContact O-CB 3.34Å; L93-F97 PolarHBondContact O-N 3.21Å; P94-F97 PolarHBondContact O-N 2.92Å; L95-F97 VanDerWaalsContact C-N 3.29Å; L95-F97 PolarHBondContact O-N 2.94Å; F97-I99 PolarHBondContact O-N 2.9Å; F97-T100 PolarHBondContact O-N 3Å; F97-V101 HydrophobicContact CD1-CG2 4.41Å; F97-V101 HydrophobicContact CD2-CG2 4.27Å; F97-V101 HydrophobicContact CE1-CG2 4.09Å; F97-V101 HydrophobicContact CE2-CG2 3.93Å; F97-V101 HydrophobicContact CG-CG2 4.5Å; F97-V101 HydrophobicContact CZ-CG2 3.84Å; F97-V101 WeakPolarHBondContact O-CB 3.39Å; F97-V101 VanDerWaalsContact O-CG2 3.28Å; F97-V101 WeakPolarHBondContact O-CG2 3.4Å; F97-V101 PolarHBondContact O-N 3Å; F97-V361 HydrophobicContact CE1-CG1 4.36Å
98	V	82.4	Confident	84.2	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.018	24%	0.238	C	C	.	.	H	α-helix	trans	-59.7	-48.5	179	170.4	0	0	0	0	112.4	P94 L95 T100 T102 V357 V361	P94-V98 WeakPolarHBondContact O-CG2 3.48Å; P94-V98 PolarHBondContact O-N 2.95Å; L95-V98 PolarHBondContact O-N 2.96Å; V98-T100 VanDerWaalsContact C-N 3.34Å; V98-T100 PolarHBondContact O-N 3.19Å; V98-T102 WeakPolarHBondContact O-CB 3.33Å; V98-T102 PolarHBondContact O-N 3.41Å; V98-T102 PolarHBondContact O-OG1 2.8Å; V98-V357 HydrophobicContact CG2-CG1 3.79Å; V98-V361 VanDerWaalsContact CA-CG2 3.42Å; V98-V361 HydrophobicContact CB-CG2 3.49Å; V98-V361 VanDerWaalsContact CB-CG2 3.49Å; V98-V361 HydrophobicContact CG1-CG2 3.48Å; V98-V361 VanDerWaalsContact CG1-CG2 3.48Å; V98-V361 HydrophobicContact CG2-CG2 3.24Å
99	I	86.9	Confident	83.7	Confident	14 Å²	14	45.5 Å²	45.5	7%	0.072	24%	0.235	C	C	.	.	H	α-helix	trans	-64.5	-42.3	-178.4	-64.5	-62.8	0	0	0	110.5	L60 Q63 F64 N69 L95 F96 F97 T102 A103	L60-I99 HydrophobicContact CD2-CG2 3.51Å; Q63-I99 HydrophobicContact CB-CD1 4.08Å; Q63-I99 PolarHBondContact OE1-O 3.38Å; F64-I99 HydrophobicContact CE1-CD1 4.27Å; F64-I99 HydrophobicContact CZ-CD1 4.32Å; N69-I99 HydrophobicContact CB-CD1 4.46Å; L95-I99 HydrophobicContact CD1-CD1 4.44Å; L95-I99 HydrophobicContact CD1-CG1 4.07Å; L95-I99 HydrophobicContact CG-CG1 4.44Å; L95-I99 VanDerWaalsContact O-CG1 3.3Å; L95-I99 WeakPolarHBondContact O-CG1 3.41Å; L95-I99 PolarHBondContact O-N 3.36Å; F96-I99 PolarHBondContact O-N 3.42Å; F97-I99 PolarHBondContact O-N 2.9Å; I99-T102 PolarHBondContact O-N 2.99Å; I99-A103 VanDerWaalsContact O-CB 3.23Å; I99-A103 WeakPolarHBondContact O-CB 3.41Å; I99-A103 PolarHBondContact O-N 3.41Å
100	T	88.8	Confident	83.7	Confident	77 Å²	77	41.3 Å²	41.3	47%	0.472	21%	0.209	S	C	.	.	H	α-helix	trans	-65.3	-48	-179.8	-56.3	0	0	0	0	111.5	F96 F97 V98 T102 A103 I104	F96-T100 VanDerWaalsContact O-CB 3.27Å; F96-T100 WeakPolarHBondContact O-CB 3.33Å; F96-T100 PolarHBondContact O-N 3.03Å; F96-T100 PolarHBondContact O-OG1 3.35Å; F97-T100 PolarHBondContact O-N 3Å; V98-T100 VanDerWaalsContact C-N 3.34Å; V98-T100 PolarHBondContact O-N 3.19Å; T100-T102 VanDerWaalsContact C-N 3.35Å; T100-T102 PolarHBondContact O-N 3.43Å; T100-A103 PolarHBondContact O-N 3.11Å; T100-I104 HydrophobicContact CG2-CD1 4.01Å; T100-I104 WeakPolarHBondContact O-CG1 3.35Å; T100-I104 PolarHBondContact O-N 2.95Å
101	V	84.3	Confident	83.8	Confident	26 Å²	26	44.8 Å²	44.8	16%	0.158	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-43.9	179.2	170.4	0	0	0	0	111.2	F97 A103 I104 K105 V361 M365	F97-V101 HydrophobicContact CD1-CG2 4.41Å; F97-V101 HydrophobicContact CD2-CG2 4.27Å; F97-V101 HydrophobicContact CE1-CG2 4.09Å; F97-V101 HydrophobicContact CE2-CG2 3.93Å; F97-V101 HydrophobicContact CG-CG2 4.5Å; F97-V101 HydrophobicContact CZ-CG2 3.84Å; F97-V101 WeakPolarHBondContact O-CB 3.39Å; F97-V101 VanDerWaalsContact O-CG2 3.28Å; F97-V101 WeakPolarHBondContact O-CG2 3.4Å; F97-V101 PolarHBondContact O-N 3Å; V101-A103 VanDerWaalsContact C-N 3.32Å; V101-A103 PolarHBondContact O-N 3.21Å; V101-I104 PolarHBondContact O-N 3.31Å; V101-K105 PolarHBondContact O-N 3.32Å; V101-K105 VanDerWaalsContact O-N 3.12Å; V101-V361 HydrophobicContact CB-CG1 4.36Å; V101-V361 HydrophobicContact CG1-CG1 3.83Å; V101-M365 HydrophobicContact CG1-CE 3.09Å
102	T	81.4	Confident	83.7	Confident	5 Å²	5	48.6 Å²	48.6	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-39.6	176.5	-51.5	0	0	0	0	111.3	Q63 V98 I99 T100 K105 Q106	Q63-T102 HydrophobicContact CG-CG2 4.27Å; V98-T102 WeakPolarHBondContact O-CB 3.33Å; V98-T102 PolarHBondContact O-N 3.41Å; V98-T102 PolarHBondContact O-OG1 2.8Å; I99-T102 PolarHBondContact O-N 2.99Å; T100-T102 VanDerWaalsContact C-N 3.35Å; T100-T102 PolarHBondContact O-N 3.43Å; T102-K105 PolarHBondContact O-N 2.85Å; T102-Q106 WeakPolarHBondContact O-CG 3.49Å; T102-Q106 PolarHBondContact O-N 3.24Å
103	A	87.8	Confident	83.3	Confident	17 Å²	17	51.5 Å²	51.5	14%	0.14	26%	0.263	C	S	.	.	H	α-helix	trans	-65.2	-41.4	176.8	0	0	0	0	0	112.1	F55 N59 I99 T100 V101 Q106 G107	F55-A103 HydrophobicContact CZ-CB 4.5Å; F55-A103 WeakPolarHBondContact CZ-O 3.29Å; N59-A103 WeakPolarHBondContact ND2-CA 3.41Å; N59-A103 WeakPolarHBondContact ND2-CB 3.42Å; I99-A103 VanDerWaalsContact O-CB 3.23Å; I99-A103 WeakPolarHBondContact O-CB 3.41Å; I99-A103 PolarHBondContact O-N 3.41Å; T100-A103 PolarHBondContact O-N 3.11Å; V101-A103 VanDerWaalsContact C-N 3.32Å; V101-A103 PolarHBondContact O-N 3.21Å; A103-Q106 PolarHBondContact O-N 3.48Å; A103-G107 PolarHBondContact O-N 3.05Å
104	I	88.4	Confident	83.2	Confident	117 Å²	117	49.5 Å²	49.5	60%	0.6	25%	0.251	S	S	*	.	H	α-helix	trans	-61.4	-47.4	176.5	-69.1	166.9	0	0	0	110.7	T100 V101 Q106 G107 Y108	T100-I104 HydrophobicContact CG2-CD1 4.01Å; T100-I104 WeakPolarHBondContact O-CG1 3.35Å; T100-I104 PolarHBondContact O-N 2.95Å; V101-I104 PolarHBondContact O-N 3.31Å; I104-Q106 PolarHBondContact O-N 3.44Å; I104-G107 PolarHBondContact O-N 3.14Å; I104-Y108 WeakPolarHBondContact O-CB 3.23Å; I104-Y108 PolarHBondContact O-N 3.23Å
105	K	82.4	Confident	83.4	Confident	19 Å²	19	57.8 Å²	57.8	8%	0.083	28%	0.28	C	S	.	.	H	α-helix	trans	-55	-54.8	175.8	-179.2	-151.3	175.8	-169.5	0	111.1	V101 T102 G107 Y108 E109 E364 F368 S394 D395	V101-K105 PolarHBondContact O-N 3.32Å; V101-K105 VanDerWaalsContact O-N 3.12Å; T102-K105 PolarHBondContact O-N 2.85Å; K105-G107 VanDerWaalsContact C-N 3.31Å; K105-G107 PolarHBondContact O-N 3.31Å; K105-Y108 WeakPolarHBondContact O-CB 3.23Å; K105-Y108 PolarHBondContact O-N 3.49Å; K105-E109 VanDerWaalsContact CE-OE1 3.24Å; K105-E109 WeakPolarHBondContact CE-OE1 3.44Å; K105-E109 IonicContact NZ-OE1 3.06Å; K105-E109 PolarHBondContact O-N 2.99Å; K105-E364 IonicContact NZ-OE2 2.65Å; K105-E364 PolarHBondContact NZ-OE2 2.9Å; K105-F368 HydrophobicContact CG-CD2 4.45Å; K105-S394 WeakPolarHBondContact CE-OG 3.5Å; K105-S394 PolarHBondContact NZ-OG 3.1Å; K105-S394 VanDerWaalsContact NZ-OG 3.13Å; K105-D395 IonicContact NZ-OD1 3.25Å; K105-D395 PolarHBondContact NZ-OD1 3.02Å
106	Q	80.1	Confident	83.1	Confident	29 Å²	29	60 Å²	60	14%	0.136	30%	0.299	C	S	.	.	H	α-helix	trans	-65.7	-35.1	-177.3	-71.2	179.4	-9.6	0	0	112.6	N59 T102 A103 I104 D110	N59-Q106 PolarHBondContact OD1-OE1 3.35Å; T102-Q106 WeakPolarHBondContact O-CG 3.49Å; T102-Q106 PolarHBondContact O-N 3.24Å; A103-Q106 PolarHBondContact O-N 3.48Å; I104-Q106 PolarHBondContact O-N 3.44Å; Q106-D110 WeakPolarHBondContact O-CB 3.33Å; Q106-D110 PolarHBondContact O-N 2.92Å
107	G	86.1	Confident	82.8	Confident	21 Å²	21	54.6 Å²	54.6	22%	0.216	28%	0.276	C	S	.	.	H	α-helix	trans	-64.9	-40.8	173.6	0	0	0	0	0	112.2	A103 I104 K105 D110 C111	A103-G107 PolarHBondContact O-N 3.05Å; I104-G107 PolarHBondContact O-N 3.14Å; K105-G107 VanDerWaalsContact C-N 3.31Å; K105-G107 PolarHBondContact O-N 3.31Å; G107-D110 PolarHBondContact O-N 3.44Å; G107-C111 WeakPolarHBondContact O-CB 3.43Å; G107-C111 PolarHBondContact O-N 2.9Å
108	Y	83.8	Confident	83	Confident	134 Å²	134	52.9 Å²	52.9	53%	0.525	27%	0.271	S	S	.	.	H	α-helix	trans	-63.4	-49.2	174.9	179.3	-98.9	0	0	0	111.8	I104 K105 D110 C111 L112	I104-Y108 WeakPolarHBondContact O-CB 3.23Å; I104-Y108 PolarHBondContact O-N 3.23Å; K105-Y108 WeakPolarHBondContact O-CB 3.23Å; K105-Y108 PolarHBondContact O-N 3.49Å; Y108-D110 VanDerWaalsContact C-N 3.32Å; Y108-D110 PolarHBondContact O-N 2.91Å; Y108-C111 WeakPolarHBondContact O-CB 3.22Å; Y108-C111 PolarHBondContact O-N 3.46Å; Y108-L112 HydrophobicContact CD1-CD1 4.14Å; Y108-L112 HydrophobicContact CE1-CD1 3.58Å; Y108-L112 HydrophobicContact CE1-CG 4.26Å; Y108-L112 PolarHBondContact O-N 2.96Å
109	E	75.3	Confident	83.1	Confident	52 Å²	52	59.7 Å²	59.7	24%	0.243	30%	0.303	C	S	.	.	H	α-helix	trans	-59.3	-40.5	177.1	-72.1	-177.9	178.4	0	0	112.4	K105 R113 S394	K105-E109 VanDerWaalsContact CE-OE1 3.24Å; K105-E109 WeakPolarHBondContact CE-OE1 3.44Å; K105-E109 IonicContact NZ-OE1 3.06Å; K105-E109 PolarHBondContact O-N 2.99Å; E109-R113 PolarHBondContact O-N 2.96Å; E109-S394 PolarHBondContact OE1-OG 3.39Å
110	D	82.3	Confident	82.9	Confident	4 Å²	4	62.4 Å²	62.4	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-74.7	-32.3	178.2	-151.1	60	0	0	0	112.1	K49 Y50 Q106 G107 Y108 L112 R113 H114	K49-D110 PolarHBondContact N-OD1 3.41Å; Y50-D110 WeakPolarHBondContact CA-OD2 3.48Å; Y50-D110 WeakPolarHBondContact CB-OD2 3.42Å; Y50-D110 HydrophobicContact CD2-CB 3.83Å; Y50-D110 HydrophobicContact CE2-CB 4.45Å; Y50-D110 PolarHBondContact N-OD2 3.36Å; Q106-D110 WeakPolarHBondContact O-CB 3.33Å; Q106-D110 PolarHBondContact O-N 2.92Å; G107-D110 PolarHBondContact O-N 3.44Å; Y108-D110 VanDerWaalsContact C-N 3.32Å; Y108-D110 PolarHBondContact O-N 2.91Å; D110-L112 VanDerWaalsContact C-N 3.33Å; D110-L112 PolarHBondContact O-N 3Å; D110-R113 WeakPolarHBondContact O-CB 3.45Å; D110-R113 PolarHBondContact O-N 2.99Å; D110-R113 VanDerWaalsContact O-N 3.13Å; D110-R113 IonicContact OD1-NH1 2.83Å; D110-R113 PolarHBondContact OD1-NH1 3Å; D110-H114 PolarHBondContact O-CD2 3.17Å; D110-H114 PolarHBondContact O-N 3.17Å; D110-H114 IonicContact OD2-CD2 3.37Å; D110-H114 IonicContact OD2-NE2 2.78Å; D110-H114 PolarHBondContact OD2-NE2 2.85Å
111	C	83.8	Confident	82.9	Confident	79 Å²	79	58.9 Å²	58.9	53%	0.534	30%	0.298	S	S	.	.	H	α-helix	trans	-62.7	-39.2	173.5	-172.9	0	0	0	0	111.9	G107 Y108 R113 H114 R115	G107-C111 WeakPolarHBondContact O-CB 3.43Å; G107-C111 PolarHBondContact O-N 2.9Å; Y108-C111 WeakPolarHBondContact O-CB 3.22Å; Y108-C111 PolarHBondContact O-N 3.46Å; C111-R113 VanDerWaalsContact C-N 3.3Å; C111-R113 PolarHBondContact O-N 2.94Å; C111-H114 PolarHBondContact O-N 2.87Å; C111-R115 PolarHBondContact O-N 3.15Å
112	L	78	Confident	83.2	Confident	85 Å²	85	63.6 Å²	63.6	45%	0.445	32%	0.317	S	S	.	.	H	α-helix	trans	-60.2	-40	172	-71	174.5	0	0	0	111.8	Y108 D110 R115 A116	Y108-L112 HydrophobicContact CD1-CD1 4.14Å; Y108-L112 HydrophobicContact CE1-CD1 3.58Å; Y108-L112 HydrophobicContact CE1-CG 4.26Å; Y108-L112 PolarHBondContact O-N 2.96Å; D110-L112 VanDerWaalsContact C-N 3.33Å; D110-L112 PolarHBondContact O-N 3Å; L112-R115 PolarHBondContact O-N 2.92Å; L112-A116 PolarHBondContact O-N 3.24Å
113	R	75.3	Confident	83.5	Confident	64 Å²	64	65.5 Å²	65.5	24%	0.242	33%	0.33	C	S	.	.	H	α-helix	trans	-64.7	-43.6	173.9	-64.6	-174.6	-169.9	120.3	10.9	112.1	E109 D110 C111 R115 A116 D117	E109-R113 PolarHBondContact O-N 2.96Å; D110-R113 WeakPolarHBondContact O-CB 3.45Å; D110-R113 PolarHBondContact O-N 2.99Å; D110-R113 VanDerWaalsContact O-N 3.13Å; D110-R113 IonicContact OD1-NH1 2.83Å; D110-R113 PolarHBondContact OD1-NH1 3Å; C111-R113 VanDerWaalsContact C-N 3.3Å; C111-R113 PolarHBondContact O-N 2.94Å; R113-R115 VanDerWaalsContact C-N 3.28Å; R113-R115 PolarHBondContact O-N 2.75Å; R113-A116 PolarHBondContact O-N 3.2Å; R113-D117 WeakPolarHBondContact O-CB 3.21Å; R113-D117 VanDerWaalsContact O-CG 3.24Å; R113-D117 PolarHBondContact O-N 2.85Å
114	H	83.8	Confident	83.7	Confident	50 Å²	50	67.1 Å²	67.1	23%	0.231	34%	0.338	C	S	.	.	H	α-helix	trans	-60	-38.1	175	-79.6	-70.8	0	0	0	112.3	S48 Y50 D110 C111 N118	S48-H114 WeakPolarHBondContact CB-CE1 3.41Å; S48-H114 WeakPolarHBondContact CB-NE2 3.46Å; S48-H114 PolarHBondContact OG-CE1 2.85Å; S48-H114 PolarHBondContact OG-NE2 3.29Å; Y50-H114 PolarHBondContact O-CE1 3.34Å; Y50-H114 PolarHBondContact O-NE2 3.33Å; D110-H114 PolarHBondContact O-CD2 3.17Å; D110-H114 PolarHBondContact O-N 3.17Å; D110-H114 IonicContact OD2-CD2 3.37Å; D110-H114 IonicContact OD2-NE2 2.78Å; D110-H114 PolarHBondContact OD2-NE2 2.85Å; C111-H114 PolarHBondContact O-N 2.87Å; H114-N118 VanDerWaalsContact O-CB 3.3Å; H114-N118 WeakPolarHBondContact O-CB 3.46Å; H114-N118 VanDerWaalsContact O-CG 3.24Å; H114-N118 PolarHBondContact O-N 2.64Å; H114-N118 PolarHBondContact O-ND2 2.9Å
115	R	84.8	Confident	84	Confident	188 Å²	188	61.7 Å²	61.7	71%	0.709	31%	0.311	S	S	*	.	H	α-helix	trans	-65	-47.8	176.1	-174.9	176.8	177.8	172.8	-1	111.3	C111 L112 R113 N118 E119	C111-R115 PolarHBondContact O-N 3.15Å; L112-R115 PolarHBondContact O-N 2.92Å; R113-R115 VanDerWaalsContact C-N 3.28Å; R113-R115 PolarHBondContact O-N 2.75Å; R115-N118 PolarHBondContact O-N 3.32Å; R115-E119 PolarHBondContact O-N 3.38Å
116	A	77.3	Confident	84.6	Confident	50 Å²	50	63.1 Å²	63.1	41%	0.413	32%	0.316	S	S	.	.	H	α-helix	trans	-63.4	-42.6	177.1	0	0	0	0	0	112.2	L112 R113 N118 E119 V120	L112-A116 PolarHBondContact O-N 3.24Å; R113-A116 PolarHBondContact O-N 3.2Å; A116-N118 VanDerWaalsContact C-N 3.35Å; A116-N118 PolarHBondContact O-N 2.63Å; A116-E119 PolarHBondContact O-N 3.16Å; A116-V120 PolarHBondContact O-N 3.36Å
117	D	82.2	Confident	85.2	Confident	11 Å²	11	61.8 Å²	61.8	6%	0.059	31%	0.31	C	S	.	.	H	α-helix	trans	-61.1	-43.9	175.6	-73.3	-12.2	0	0	0	111.2	S47 S48 R113 E119 V120 N121	S47-D117 WeakPolarHBondContact CA-OD2 3.47Å; S47-D117 WeakPolarHBondContact CB-OD1 3.26Å; S47-D117 PolarHBondContact N-OD2 3.28Å; S47-D117 PolarHBondContact OG-OD1 3.32Å; S47-D117 PolarHBondContact OG-OD2 3.13Å; S48-D117 PolarHBondContact N-OD2 3.29Å; R113-D117 WeakPolarHBondContact O-CB 3.21Å; R113-D117 VanDerWaalsContact O-CG 3.24Å; R113-D117 PolarHBondContact O-N 2.85Å; D117-E119 VanDerWaalsContact C-N 3.34Å; D117-E119 PolarHBondContact O-N 3.38Å; D117-V120 PolarHBondContact O-N 3.16Å; D117-N121 VanDerWaalsContact O-CB 3.31Å; D117-N121 WeakPolarHBondContact O-CB 3.1Å; D117-N121 PolarHBondContact O-N 3.38Å; D117-N121 PolarHBondContact O-ND2 3.35Å; D117-N121 VanDerWaalsContact O-ND2 3.08Å
118	N	87.3	Confident	85.4	Confident	65 Å²	65	61.4 Å²	61.4	35%	0.348	30%	0.303	S	S	.	.	H	α-helix	trans	-66.3	-34	179.2	-80.2	-22.8	0	0	0	113	H114 R115 A116 K122	H114-N118 VanDerWaalsContact O-CB 3.3Å; H114-N118 WeakPolarHBondContact O-CB 3.46Å; H114-N118 VanDerWaalsContact O-CG 3.24Å; H114-N118 PolarHBondContact O-N 2.64Å; H114-N118 PolarHBondContact O-ND2 2.9Å; R115-N118 PolarHBondContact O-N 3.32Å; A116-N118 VanDerWaalsContact C-N 3.35Å; A116-N118 PolarHBondContact O-N 2.63Å; N118-K122 VanDerWaalsContact O-CB 3.3Å; N118-K122 WeakPolarHBondContact O-CB 3.39Å; N118-K122 WeakPolarHBondContact O-CG 3.42Å; N118-K122 PolarHBondContact O-N 2.83Å
119	E	84.8	Confident	85.5	Confident	147 Å²	147	58.2 Å²	58.2	69%	0.687	29%	0.292	S	S	*	.	H	α-helix	trans	-63	-43.8	175.7	-174.5	170.9	-175.1	0	0	111.2	R115 A116 D117 S123	R115-E119 PolarHBondContact O-N 3.38Å; A116-E119 PolarHBondContact O-N 3.16Å; D117-E119 VanDerWaalsContact C-N 3.34Å; D117-E119 PolarHBondContact O-N 3.38Å; E119-S123 PolarHBondContact O-N 3.38Å
120	V	83.1	Confident	85.9	Confident	71 Å²	71	61.7 Å²	61.7	43%	0.43	31%	0.313	S	S	.	.	H	α-helix	trans	-71.2	-42.3	176.2	-178.3	0	0	0	0	111.8	I45 A116 D117 K122 S123	I45-V120 HydrophobicContact CD1-CB 4.39Å; I45-V120 HydrophobicContact CD1-CG1 3.54Å; A116-V120 PolarHBondContact O-N 3.36Å; D117-V120 PolarHBondContact O-N 3.16Å; V120-K122 VanDerWaalsContact C-N 3.26Å; V120-K122 PolarHBondContact O-N 2.88Å; V120-S123 WeakPolarHBondContact O-CB 3.46Å; V120-S123 PolarHBondContact O-N 2.98Å; V120-S123 PolarHBondContact O-OG 2.78Å
121	N	88.7	Confident	86	Confident	2 Å²	2	63 Å²	63	1%	0.011	32%	0.324	C	S	.	.	H	α-helix	trans	-65.1	-30.4	-178.9	-72.5	-28	0	0	0	112.7	I45 D117 S138 E139	I45-N121 PolarHBondContact N-OD1 2.81Å; I45-N121 PolarHBondContact O-ND2 3.31Å; D117-N121 VanDerWaalsContact O-CB 3.31Å; D117-N121 WeakPolarHBondContact O-CB 3.1Å; D117-N121 PolarHBondContact O-N 3.38Å; D117-N121 PolarHBondContact O-ND2 3.35Å; D117-N121 VanDerWaalsContact O-ND2 3.08Å; N121-S138 PolarHBondContact O-N 3.46Å; N121-E139 HydrophobicContact CB-CB 4.21Å; N121-E139 WeakPolarHBondContact O-CB 3.36Å; N121-E139 PolarHBondContact O-N 2.88Å
122	K	90.8	Very high	86.1	Confident	125 Å²	125	66.4 Å²	66.4	54%	0.543	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	11.2	178.3	-65.7	-175.8	175.2	-171.6	0	113.8	N118 V120	N118-K122 VanDerWaalsContact O-CB 3.3Å; N118-K122 WeakPolarHBondContact O-CB 3.39Å; N118-K122 WeakPolarHBondContact O-CG 3.42Å; N118-K122 PolarHBondContact O-N 2.83Å; V120-K122 VanDerWaalsContact C-N 3.26Å; V120-K122 PolarHBondContact O-N 2.88Å
123	S	88.4	Confident	86.7	Confident	46 Å²	46	67.5 Å²	67.5	32%	0.322	33%	0.328	S	S	.	.			trans	-59.5	144	171.9	68.4	0	0	0	0	109.7	E119 V120 E137 S138	E119-S123 PolarHBondContact O-N 3.38Å; V120-S123 WeakPolarHBondContact O-CB 3.46Å; V120-S123 PolarHBondContact O-N 2.98Å; V120-S123 PolarHBondContact O-OG 2.78Å; S123-E137 CarbonylContact O-C 3.57Å; S123-E137 WeakPolarHBondContact O-CA 3.37Å; S123-S138 PolarHBondContact O-N 2.88Å; S123-S138 WeakPolarHBondContact OG-CB 3.2Å
124	T	92.3	Very high	87.6	Confident	50 Å²	50	66.7 Å²	66.7	31%	0.307	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	135.5	176.7	-72.1	0	0	0	0	109.4	R135	T124-R135 HydrophobicContact CG2-CG 3.5Å; T124-R135 PolarHBondContact OG1-NE 2.92Å; T124-R135 PolarHBondContact OG1-NH2 3.34Å
125	V	93.8	Very high	88	Confident	3 Å²	3	72.3 Å²	72.3	2%	0.018	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	146.4	172.9	-179	0	0	0	0	109.1	I127 K136 I141 V147 P156	V125-I127 HydrophobicContact CG1-CG2 4.47Å; V125-K136 PolarHBondContact N-O 3.42Å; V125-K136 PolarHBondContact O-N 3.38Å; V125-K136 VanDerWaalsContact O-O 3.11Å; V125-I141 HydrophobicContact CB-CD1 4.17Å; V125-I141 HydrophobicContact CG1-CD1 3.89Å; V125-I141 HydrophobicContact CG2-CD1 4.1Å; V125-V147 HydrophobicContact CG1-CG1 3.5Å; V125-P156 HydrophobicContact CG1-CB 4.5Å; V125-P156 HydrophobicContact CG1-CG 3.9Å; V125-P156 HydrophobicContact CG2-CB 3.68Å; V125-P156 HydrophobicContact CG2-CG 3.98Å
126	Y	94.4	Very high	88.4	Confident	49 Å²	49	66.4 Å²	66.4	19%	0.192	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.3	172.3	-64.7	-80.8	0	0	0	110.5	R133 R135 E148	Y126-R133 HydrophobicContact CD1-CG 3.85Å; Y126-R133 VanDerWaalsContact CD1-CZ 3.41Å; Y126-R133 VanDerWaalsContact CD1-NE 3.25Å; Y126-R133 HydrophobicContact CG-CG 4.46Å; Y126-R133 VanDerWaalsContact CZ-NH2 3.32Å; Y126-R135 HydrophobicContact CD1-CB 4.48Å; Y126-R135 HydrophobicContact CE1-CB 4.36Å; Y126-R135 HydrophobicContact CE1-CG 4.4Å; Y126-E148 PolarHBondContact O-N 3.14Å
127	I	93.6	Very high	89.2	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	154.2	173.6	67.6	161.9	0	0	0	110.3	V125 E129 V134 K136 V146 V147	V125-I127 HydrophobicContact CG1-CG2 4.47Å; I127-E129 HydrophobicContact CD1-CG 3.67Å; I127-E129 WeakPolarHBondContact CD1-OE1 3.49Å; I127-E129 HydrophobicContact CG1-CG 4.25Å; I127-V134 HydrophobicContact CG1-CB 4.18Å; I127-V134 PolarHBondContact N-O 2.93Å; I127-V134 PolarHBondContact O-N 3.01Å; I127-K136 HydrophobicContact CD1-CD 3.43Å; I127-K136 VanDerWaalsContact CD1-CD 3.43Å; I127-K136 VanDerWaalsContact CD1-CE 3.49Å; I127-K136 HydrophobicContact CD1-CG 3.92Å; I127-K136 HydrophobicContact CG1-CD 4.16Å; I127-K136 HydrophobicContact CG1-CG 4.09Å; I127-V146 CarbonylContact C-O 3.52Å; I127-V146 VanDerWaalsContact CA-O 3.29Å; I127-V146 WeakPolarHBondContact CA-O 3.43Å; I127-V147 HydrophobicContact CG2-CG2 4.39Å
128	I	90.9	Very high	89.7	Confident	13 Å²	13	67.8 Å²	67.8	7%	0.067	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	119.4	174.5	-54.4	-50.1	0	0	0	108.9	K132 R133 V146 A199 I202 Y258	I128-K132 WeakPolarHBondContact CA-O 3.16Å; I128-R133 HydrophobicContact CD1-CB 4.24Å; I128-R133 HydrophobicContact CD1-CG 4.5Å; I128-V146 HydrophobicContact CB-CB 4.24Å; I128-V146 HydrophobicContact CB-CG1 4.24Å; I128-V146 HydrophobicContact CG1-CG1 4.15Å; I128-V146 PolarHBondContact N-O 2.96Å; I128-A199 HydrophobicContact CD1-CB 3.9Å; I128-A199 HydrophobicContact CG1-CB 4.5Å; I128-A199 HydrophobicContact CG2-CB 4.22Å; I128-I202 HydrophobicContact CB-CG2 4.45Å; I128-I202 HydrophobicContact CG1-CG2 4.3Å; I128-I202 HydrophobicContact CG2-CG2 4.03Å; I128-Y258 HydrophobicContact CD1-CE1 4.05Å; I128-Y258 HydrophobicContact CG1-CD1 4.16Å; I128-Y258 HydrophobicContact CG1-CE1 3.99Å
129	E	86	Confident	90	Very high	67 Å²	67	66 Å²	66	31%	0.313	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	125.3	173.6	-69.5	-171.9	153.5	0	0	109.9	I127 A131 K132 V134 K136	I127-E129 HydrophobicContact CD1-CG 3.67Å; I127-E129 WeakPolarHBondContact CD1-OE1 3.49Å; I127-E129 HydrophobicContact CG1-CG 4.25Å; E129-A131 VanDerWaalsContact C-N 3.33Å; E129-A131 PolarHBondContact O-N 3.44Å; E129-K132 PolarHBondContact N-O 3.23Å; E129-K132 PolarHBondContact O-N 3.11Å; E129-V134 HydrophobicContact CB-CG2 4.23Å; E129-K136 IonicContact OE1-NZ 3.12Å; E129-K136 PolarHBondContact OE1-NZ 3Å; E129-K136 WeakPolarHBondContact OE2-CE 3.42Å; E129-K136 IonicContact OE2-NZ 2.9Å; E129-K136 PolarHBondContact OE2-NZ 3.17Å
130	N	83.1	Confident	90.4	Very high	125 Å²	125	64.3 Å²	64.3	67%	0.668	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	51.4	179	-53	-62.4	0	0	0	111.7	K132 D203	N130-K132 PolarHBondContact O-N 2.94Å; N130-K132 VanDerWaalsContact O-N 3.08Å; N130-D203 PolarHBondContact N-OD1 2.95Å
131	A	83.4	Confident	90.8	Very high	32 Å²	32	61 Å²	61	26%	0.264	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	14.5	-178.6	0	0	0	0	0	115.6	E129 E200 D203	E129-A131 VanDerWaalsContact C-N 3.33Å; E129-A131 PolarHBondContact O-N 3.44Å; A131-E200 HydrophobicContact CB-CB 4.49Å; A131-E200 HydrophobicContact CB-CG 4.21Å; A131-D203 HydrophobicContact CB-CB 4.12Å; A131-D203 PolarHBondContact N-OD1 2.82Å; A131-D203 VanDerWaalsContact N-OD1 3.14Å; A131-D203 PolarHBondContact N-OD2 3.25Å
132	K	87.3	Confident	91	Very high	151 Å²	151	67.3 Å²	67.3	66%	0.657	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	142.3	178.3	-67.2	178.6	-175.6	176.6	0	111.8	I128 E129 N130 V134	I128-K132 WeakPolarHBondContact CA-O 3.16Å; E129-K132 PolarHBondContact N-O 3.23Å; E129-K132 PolarHBondContact O-N 3.11Å; N130-K132 PolarHBondContact O-N 2.94Å; N130-K132 VanDerWaalsContact O-N 3.08Å; K132-V134 PolarHBondContact O-N 2.61Å
133	R	90.4	Very high	91	Very high	108 Å²	108	61.7 Å²	61.7	41%	0.408	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	112.4	169.9	-173	-174.5	-168.7	-145.1	1.8	109.7	Y126 I128 E148	Y126-R133 HydrophobicContact CD1-CG 3.85Å; Y126-R133 VanDerWaalsContact CD1-CZ 3.41Å; Y126-R133 VanDerWaalsContact CD1-NE 3.25Å; Y126-R133 HydrophobicContact CG-CG 4.46Å; Y126-R133 VanDerWaalsContact CZ-NH2 3.32Å; I128-R133 HydrophobicContact CD1-CB 4.24Å; I128-R133 HydrophobicContact CD1-CG 4.5Å; R133-E148 IonicContact CZ-OE1 3.8Å; R133-E148 IonicContact NE-OE1 3.44Å; R133-E148 PolarHBondContact NE-OE1 2.92Å; R133-E148 IonicContact NE-OE2 3.92Å; R133-E148 IonicContact NH2-OE1 2.84Å; R133-E148 PolarHBondContact NH2-OE1 2.89Å
134	V	92.9	Very high	91.1	Very high	47 Å²	47	59.5 Å²	59.5	29%	0.285	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.2	180	-177.1	0	0	0	0	109.6	I127 E129 K132 K136	I127-V134 HydrophobicContact CG1-CB 4.18Å; I127-V134 PolarHBondContact N-O 2.93Å; I127-V134 PolarHBondContact O-N 3.01Å; E129-V134 HydrophobicContact CB-CG2 4.23Å; K132-V134 PolarHBondContact O-N 2.61Å; V134-K136 HydrophobicContact CG1-CG 4.07Å
135	R	93.5	Very high	91.1	Very high	168 Å²	168	57.9 Å²	57.9	63%	0.634	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	121.7	173.9	-169.1	-177.4	173.4	159.2	8.5	109.3	T124 Y126	T124-R135 HydrophobicContact CG2-CG 3.5Å; T124-R135 PolarHBondContact OG1-NE 2.92Å; T124-R135 PolarHBondContact OG1-NH2 3.34Å; Y126-R135 HydrophobicContact CD1-CB 4.48Å; Y126-R135 HydrophobicContact CE1-CB 4.36Å; Y126-R135 HydrophobicContact CE1-CG 4.4Å
136	K	93.1	Very high	91.1	Very high	63 Å²	63	58.1 Å²	58.1	27%	0.274	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	166.3	174.5	-67.7	-158.2	-174.8	166	0	111.7	V125 I127 E129 V134	V125-K136 PolarHBondContact N-O 3.42Å; V125-K136 PolarHBondContact O-N 3.38Å; V125-K136 VanDerWaalsContact O-O 3.11Å; I127-K136 HydrophobicContact CD1-CD 3.43Å; I127-K136 VanDerWaalsContact CD1-CD 3.43Å; I127-K136 VanDerWaalsContact CD1-CE 3.49Å; I127-K136 HydrophobicContact CD1-CG 3.92Å; I127-K136 HydrophobicContact CG1-CD 4.16Å; I127-K136 HydrophobicContact CG1-CG 4.09Å; E129-K136 IonicContact OE1-NZ 3.12Å; E129-K136 PolarHBondContact OE1-NZ 3Å; E129-K136 WeakPolarHBondContact OE2-CE 3.42Å; E129-K136 IonicContact OE2-NZ 2.9Å; E129-K136 PolarHBondContact OE2-NZ 3.17Å; V134-K136 HydrophobicContact CG1-CG 4.07Å
137	E	93.9	Very high	91.1	Very high	87 Å²	87	55.8 Å²	55.8	41%	0.407	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	142.9	168.8	-62.2	-177.5	157.7	0	0	109.6	S123 E139 K140	S123-E137 CarbonylContact O-C 3.57Å; S123-E137 WeakPolarHBondContact O-CA 3.37Å; E137-E139 PolarHBondContact O-N 3.18Å; E137-K140 HydrophobicContact CB-CG 4.46Å; E137-K140 WeakPolarHBondContact O-CB 3.36Å; E137-K140 PolarHBondContact O-N 3.1Å
138	S	92.3	Very high	91.2	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.021	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-54.8	-37.1	-179.1	177.4	0	0	0	0	113	N43 N121 S123 K140 I141 P156	N43-S138 PolarHBondContact ND2-O 2.9Å; N43-S138 PolarHBondContact ND2-OG 2.89Å; N121-S138 PolarHBondContact O-N 3.46Å; S123-S138 PolarHBondContact O-N 2.88Å; S123-S138 WeakPolarHBondContact OG-CB 3.2Å; S138-K140 PolarHBondContact O-N 2.86Å; S138-K140 VanDerWaalsContact O-N 3.15Å; S138-I141 WeakPolarHBondContact O-CG1 3.41Å; S138-I141 PolarHBondContact O-N 2.76Å; S138-P156 WeakPolarHBondContact OG-CB 3.36Å
139	E	93.6	Very high	91.4	Very high	27 Å²	27	55.6 Å²	55.6	13%	0.126	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-58.4	-26	176.9	-176.4	175.6	-176.4	0	0	112.7	R44 N121 E137 I141	R44-E139 HydrophobicContact CB-CG 3.92Å; R44-E139 WeakPolarHBondContact CD-OE1 3.19Å; R44-E139 HydrophobicContact CG-CG 4.14Å; R44-E139 WeakPolarHBondContact CG-OE1 3.41Å; R44-E139 IonicContact CZ-OE1 3.36Å; R44-E139 IonicContact NE-OE1 3.54Å; R44-E139 IonicContact NH1-OE1 3.73Å; N121-E139 HydrophobicContact CB-CB 4.21Å; N121-E139 WeakPolarHBondContact O-CB 3.36Å; N121-E139 PolarHBondContact O-N 2.88Å; E137-E139 PolarHBondContact O-N 3.18Å; E139-I141 PolarHBondContact O-N 3.43Å
140	K	93.1	Very high	91.7	Very high	113 Å²	113	56.1 Å²	56.1	49%	0.491	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-85.7	-1.7	-175.7	-61.7	-58.5	-178.7	-165	0	115.1	E137 S138	E137-K140 HydrophobicContact CB-CG 4.46Å; E137-K140 WeakPolarHBondContact O-CB 3.36Å; E137-K140 PolarHBondContact O-N 3.1Å; S138-K140 PolarHBondContact O-N 2.86Å; S138-K140 VanDerWaalsContact O-N 3.15Å
141	I	92.4	Very high	92	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	24%	0.243	C	C	.	.			trans	-69.8	131.3	179.4	-61.2	169	0	0	0	109.7	N43 V125 S138 E139 V147 P156 A261 T264	N43-I141 HydrophobicContact CB-CB 4.15Å; N43-I141 WeakPolarHBondContact CB-O 3.45Å; V125-I141 HydrophobicContact CB-CD1 4.17Å; V125-I141 HydrophobicContact CG1-CD1 3.89Å; V125-I141 HydrophobicContact CG2-CD1 4.1Å; S138-I141 WeakPolarHBondContact O-CG1 3.41Å; S138-I141 PolarHBondContact O-N 2.76Å; E139-I141 PolarHBondContact O-N 3.43Å; I141-V147 HydrophobicContact CG2-CG2 4.32Å; I141-P156 HydrophobicContact CD1-CB 3.63Å; I141-P156 HydrophobicContact CD1-CG 3.64Å; I141-A261 HydrophobicContact CG2-CB 4.02Å; I141-T264 HydrophobicContact CG2-CG2 4.44Å
142	K	91.8	Very high	92.1	Very high	135 Å²	135	55.6 Å²	55.6	59%	0.587	26%	0.257	S	S	*	.			trans	-108.9	157.5	174.1	-63	177.3	-176.8	174.9	0	110.7	G144 D145 A261	K142-G144 PolarHBondContact O-N 2.88Å; K142-D145 PolarHBondContact N-OD2 3.16Å; K142-D145 WeakPolarHBondContact O-CB 3.4Å; K142-D145 PolarHBondContact O-N 2.57Å; K142-A261 WeakPolarHBondContact O-CB 3.3Å
143	V	91.9	Very high	92.2	Very high	6 Å²	6	50.2 Å²	50.2	4%	0.036	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	130.2	170.9	176.3	0	0	0	0	108.7	V22 N26 F40 T264	V22-V143 HydrophobicContact CB-CG1 4.15Å; V22-V143 HydrophobicContact CG1-CG1 3.63Å; V22-V143 HydrophobicContact CG2-CG1 3.44Å; V22-V143 VanDerWaalsContact CG2-CG1 3.44Å; N26-V143 PolarHBondContact OD1-O 2.73Å; F40-V143 HydrophobicContact CB-CB 4.07Å; F40-V143 HydrophobicContact CB-CG2 3.63Å; F40-V143 HydrophobicContact CD1-CB 4.48Å; F40-V143 HydrophobicContact CD1-CG1 4.3Å; F40-V143 HydrophobicContact CD1-CG2 4.27Å; F40-V143 HydrophobicContact CD2-CB 3.64Å; F40-V143 HydrophobicContact CD2-CG1 3.79Å; F40-V143 HydrophobicContact CD2-CG2 4.14Å; F40-V143 HydrophobicContact CE1-CG1 4.34Å; F40-V143 HydrophobicContact CE2-CB 4.19Å; F40-V143 HydrophobicContact CE2-CG1 3.84Å; F40-V143 HydrophobicContact CG-CB 3.8Å; F40-V143 HydrophobicContact CG-CG1 4.03Å; F40-V143 HydrophobicContact CG-CG2 3.75Å; F40-V143 HydrophobicContact CZ-CG1 4.12Å; V143-T264 HydrophobicContact CG2-CG2 3.76Å; V143-T264 VanDerWaalsContact CG2-OG1 3.28Å; V143-T264 WeakPolarHBondContact CG2-OG1 3.46Å
144	G	90.6	Very high	92.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.7	-13.8	-175.8	0	0	0	0	0	115	F23 G25 K142 A261	F23-G144 VanDerWaalsContact O-CA 3.31Å; F23-G144 WeakPolarHBondContact O-CA 3.14Å; G25-G144 PolarHBondContact N-O 2.81Å; K142-G144 PolarHBondContact O-N 2.88Å; G144-A261 PolarHBondContact N-O 3Å
145	D	91.9	Very high	92.1	Very high	16 Å²	16	46.3 Å²	46.3	9%	0.086	22%	0.222	C	C	.	.			trans	-70.2	141	177.8	-65.2	-8	0	0	0	111	N26 K142 V260 A261	N26-D145 PolarHBondContact ND2-OD1 3.45Å; K142-D145 PolarHBondContact N-OD2 3.16Å; K142-D145 WeakPolarHBondContact O-CB 3.4Å; K142-D145 PolarHBondContact O-N 2.57Å; D145-V260 WeakPolarHBondContact O-CA 3.39Å; D145-A261 PolarHBondContact O-N 3.19Å
146	V	93.6	Very high	91.9	Very high	8 Å²	8	38.7 Å²	38.7	5%	0.048	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	120.5	173.6	-179.7	0	0	0	0	108.8	V24 I127 I128 I202 Y258 G259	V24-V146 HydrophobicContact CG1-CG2 3.78Å; I127-V146 CarbonylContact C-O 3.52Å; I127-V146 VanDerWaalsContact CA-O 3.29Å; I127-V146 WeakPolarHBondContact CA-O 3.43Å; I128-V146 HydrophobicContact CB-CB 4.24Å; I128-V146 HydrophobicContact CB-CG1 4.24Å; I128-V146 HydrophobicContact CG1-CG1 4.15Å; I128-V146 PolarHBondContact N-O 2.96Å; V146-I202 HydrophobicContact CG1-CG1 4.01Å; V146-I202 HydrophobicContact CG1-CG2 4.31Å; V146-Y258 HydrophobicContact CG1-CD1 4.44Å; V146-G259 CarbonylContact C-O 3.52Å; V146-G259 WeakPolarHBondContact CA-O 3.37Å
147	V	94.7	Very high	92	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.2	-176.4	-175.8	0	0	0	0	109.2	V125 I127 I141 V149 P156 L159 G259	V125-V147 HydrophobicContact CG1-CG1 3.5Å; I127-V147 HydrophobicContact CG2-CG2 4.39Å; I141-V147 HydrophobicContact CG2-CG2 4.32Å; V147-V149 HydrophobicContact CG1-CG2 3.92Å; V147-P156 HydrophobicContact CG1-CG 4.11Å; V147-L159 HydrophobicContact CB-CD1 4.09Å; V147-L159 HydrophobicContact CB-CD2 4.03Å; V147-L159 HydrophobicContact CG1-CD1 4.22Å; V147-L159 HydrophobicContact CG2-CD2 3.84Å; V147-G259 PolarHBondContact N-O 3.04Å; V147-G259 PolarHBondContact O-N 2.95Å
148	E	94.8	Very high	92	Very high	10 Å²	10	31.5 Å²	31.5	5%	0.047	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	129.5	169.8	-174.9	-172.2	107.8	0	0	108.7	Y126 R133 I257 Y258	Y126-E148 PolarHBondContact O-N 3.14Å; R133-E148 IonicContact CZ-OE1 3.8Å; R133-E148 IonicContact NE-OE1 3.44Å; R133-E148 PolarHBondContact NE-OE1 2.92Å; R133-E148 IonicContact NE-OE2 3.92Å; R133-E148 IonicContact NH2-OE1 2.84Å; R133-E148 PolarHBondContact NH2-OE1 2.89Å; E148-I257 WeakPolarHBondContact CA-O 3.31Å; E148-Y258 HydrophobicContact CB-CD1 4.03Å; E148-Y258 HydrophobicContact CB-CE1 3.77Å; E148-Y258 HydrophobicContact CG-CD1 4.21Å; E148-Y258 HydrophobicContact CG-CE1 3.66Å; E148-Y258 VanDerWaalsContact OE2-CE1 3.28Å; E148-Y258 WeakPolarHBondContact OE2-CE1 3.44Å; E148-Y258 PolarHBondContact OE2-OH 2.64Å
149	V	94.5	Very high	92.2	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.3	-179.1	-175.1	0	0	0	0	108.9	V147 E153 F155 L159 L251 K256 I257	V147-V149 HydrophobicContact CG1-CG2 3.92Å; V149-E153 HydrophobicContact CG1-CB 3.86Å; V149-E153 HydrophobicContact CG1-CG 4.27Å; V149-F155 HydrophobicContact CB-CD1 4.38Å; V149-F155 HydrophobicContact CB-CE1 4.04Å; V149-F155 HydrophobicContact CG1-CD1 4.01Å; V149-F155 HydrophobicContact CG1-CE1 3.77Å; V149-F155 HydrophobicContact CG2-CD1 3.89Å; V149-F155 HydrophobicContact CG2-CE1 3.96Å; V149-L159 HydrophobicContact CG2-CD1 4Å; V149-L251 HydrophobicContact CG1-CB 4.34Å; V149-L251 HydrophobicContact CG1-CD2 4.31Å; V149-K256 CarbonylContact O-C 3.57Å; V149-K256 VanDerWaalsContact O-CA 3.24Å; V149-K256 WeakPolarHBondContact O-CA 3.21Å; V149-I257 HydrophobicContact CB-CD1 4.35Å; V149-I257 HydrophobicContact CB-CG1 3.91Å; V149-I257 PolarHBondContact N-O 2.98Å; V149-I257 VanDerWaalsContact N-O 3.11Å; V149-I257 PolarHBondContact O-N 3.07Å
150	Q	93.1	Very high	92.2	Very high	77 Å²	77	30.1 Å²	30.1	36%	0.36	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	165.7	-178.6	-56	-166.4	-55.3	0	0	112.2	D152 E153 L251 E255	Q150-D152 PolarHBondContact O-N 3.34Å; Q150-E153 PolarHBondContact N-OE2 3.36Å; Q150-E153 WeakPolarHBondContact O-CB 3.37Å; Q150-E153 PolarHBondContact O-N 3.35Å; Q150-E153 VanDerWaalsContact O-N 3.14Å; Q150-L251 WeakPolarHBondContact O-CD2 3.47Å; Q150-E255 CarbonylContact C-O 3.49Å; Q150-E255 WeakPolarHBondContact CA-O 3.29Å
151	A	89.1	Confident	92.4	Very high	45 Å²	45	24.7 Å²	24.7	37%	0.372	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	137.8	172.5	0	0	0	0	0	111.7	E153 T254 E255	A151-E153 PolarHBondContact O-N 2.81Å; A151-E153 VanDerWaalsContact O-N 3.14Å; A151-T254 WeakPolarHBondContact CA-O 3.32Å; A151-T254 VanDerWaalsContact CB-O 3.28Å; A151-T254 WeakPolarHBondContact CB-O 3.44Å; A151-E255 PolarHBondContact N-O 3.43Å
152	D	85.6	Confident	92.4	Very high	101 Å²	101	24.7 Å²	24.7	54%	0.54	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	7.7	-179.6	-58.6	-57.9	0	0	0	115.6	Q150 L251 K252	Q150-D152 PolarHBondContact O-N 3.34Å; D152-L251 WeakPolarHBondContact CA-O 3.24Å; D152-L251 PolarHBondContact N-O 3.16Å; D152-K252 WeakPolarHBondContact OD1-CD 3.45Å; D152-K252 WeakPolarHBondContact OD1-CE 3.48Å; D152-K252 IonicContact OD1-NZ 3.2Å; D152-K252 PolarHBondContact OD1-NZ 2.87Å
153	E	89.5	Confident	92.4	Very high	39 Å²	39	18.2 Å²	18.2	18%	0.182	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-84.4	149.7	175.7	-163.6	176.4	-175.9	0	0	112	V149 Q150 A151 T250 L251	V149-E153 HydrophobicContact CG1-CB 3.86Å; V149-E153 HydrophobicContact CG1-CG 4.27Å; Q150-E153 PolarHBondContact N-OE2 3.36Å; Q150-E153 WeakPolarHBondContact O-CB 3.37Å; Q150-E153 PolarHBondContact O-N 3.35Å; Q150-E153 VanDerWaalsContact O-N 3.14Å; A151-E153 PolarHBondContact O-N 2.81Å; A151-E153 VanDerWaalsContact O-N 3.14Å; E153-T250 WeakPolarHBondContact O-CA 3.03Å; E153-L251 PolarHBondContact O-N 3.04Å
154	T	87.9	Confident	92.3	Very high	69 Å²	69	18 Å²	18	42%	0.423	10%	0.102	S	C	.	.	B	Isolated β-bridge	trans	-91.9	135.9	178.4	-53.1	0	0	0	0	110.6	A249 T250	T154-A249 CarbonylContact C-O 3.59Å; T154-A249 WeakPolarHBondContact CA-O 3.38Å; T154-T250 HydrophobicContact CG2-CG2 4.42Å
155	F	92.4	Very high	92.1	Very high	3 Å²	3	20.4 Å²	20.4	1%	0.013	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-64.8	129.2	179.1	-65.8	-60.8	0	0	0	112.4	V149 L159 V173 L245 L246 G248 A249 L251 I257	V149-F155 HydrophobicContact CB-CD1 4.38Å; V149-F155 HydrophobicContact CB-CE1 4.04Å; V149-F155 HydrophobicContact CG1-CD1 4.01Å; V149-F155 HydrophobicContact CG1-CE1 3.77Å; V149-F155 HydrophobicContact CG2-CD1 3.89Å; V149-F155 HydrophobicContact CG2-CE1 3.96Å; F155-L159 HydrophobicContact CD1-CD1 3.91Å; F155-L159 HydrophobicContact CE1-CD1 4.46Å; F155-V173 HydrophobicContact CE2-CB 4.48Å; F155-V173 HydrophobicContact CE2-CG1 3.82Å; F155-V173 HydrophobicContact CE2-CG2 3.8Å; F155-V173 HydrophobicContact CZ-CG2 4.07Å; F155-L245 HydrophobicContact CD1-CB 4.37Å; F155-L245 HydrophobicContact CD2-CB 4.16Å; F155-L245 HydrophobicContact CE1-CB 4.24Å; F155-L245 HydrophobicContact CE1-CD1 3.8Å; F155-L245 HydrophobicContact CE2-CB 4Å; F155-L245 HydrophobicContact CE2-CD2 4.45Å; F155-L245 HydrophobicContact CG-CB 4.36Å; F155-L245 HydrophobicContact CZ-CB 4.05Å; F155-L245 HydrophobicContact CZ-CD1 3.82Å; F155-L245 HydrophobicContact CZ-CD2 4.26Å; F155-L245 HydrophobicContact CZ-CG 4.28Å; F155-L246 WeakPolarHBondContact CB-O 3.37Å; F155-G248 PolarHBondContact O-N 3.03Å; F155-A249 HydrophobicContact CD2-CB 3.77Å; F155-A249 WeakPolarHBondContact CD2-O 3.05Å; F155-A249 HydrophobicContact CE2-CB 4.18Å; F155-A249 PolarHBondContact N-O 2.98Å; F155-L251 HydrophobicContact CZ-CB 4.13Å; F155-L251 HydrophobicContact CZ-CD1 4.23Å; F155-I257 HydrophobicContact CE1-CD1 3.51Å; F155-I257 HydrophobicContact CZ-CD1 3.81Å
156	P	91.1	Very high	91.6	Very high	8 Å²	8	21.7 Å²	21.7	5%	0.052	13%	0.127	C	C	.	.	S	Bend	trans	-81.4	-23	-174.7	31.9	-36.7	0	0	0	114.2	N43 V125 S138 I141 V147 K247	N43-P156 PolarHBondContact ND2-O 2.95Å; V125-P156 HydrophobicContact CG1-CB 4.5Å; V125-P156 HydrophobicContact CG1-CG 3.9Å; V125-P156 HydrophobicContact CG2-CB 3.68Å; V125-P156 HydrophobicContact CG2-CG 3.98Å; S138-P156 WeakPolarHBondContact OG-CB 3.36Å; I141-P156 HydrophobicContact CD1-CB 3.63Å; I141-P156 HydrophobicContact CD1-CG 3.64Å; V147-P156 HydrophobicContact CG1-CG 4.11Å; P156-K247 WeakPolarHBondContact O-CD 3.2Å; P156-K247 WeakPolarHBondContact O-CE 3.26Å; P156-K247 PolarHBondContact O-NZ 3.4Å
157	C	93.5	Very high	90.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-155.5	177.7	179.4	59.1	0	0	0	0	109.5	L159 Y263 T264 T268	C157-L159 PolarHBondContact O-N 2.93Å; C157-L159 WeakPolarHBondContact SG-CD2 3.25Å; C157-Y263 WeakPolarHBondContact CB-O 3.3Å; C157-T264 HydrophobicContact CB-CG2 4.38Å; C157-T268 HydrophobicContact CB-CG2 4.46Å
158	D	94.8	Very high	89.6	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	118	177.6	-58.6	-21.1	0	0	0	108.9	L244 L245 K247 V262 Y263 T268 K269	D158-L244 HydrophobicContact CB-CD1 4.27Å; D158-L245 CarbonylContact C-O 3.45Å; D158-L245 VanDerWaalsContact CA-O 3.26Å; D158-L245 WeakPolarHBondContact CA-O 2.9Å; D158-K247 WeakPolarHBondContact OD1-CB 3.26Å; D158-K247 PolarHBondContact OD1-N 2.88Å; D158-V262 PolarHBondContact O-N 2.65Å; D158-Y263 HydrophobicContact CB-CD2 3.98Å; D158-Y263 HydrophobicContact CB-CG 4.45Å; D158-Y263 PolarHBondContact N-O 3Å; D158-Y263 VanDerWaalsContact N-O 3.11Å; D158-Y263 PolarHBondContact O-N 2.82Å; D158-T268 VanDerWaalsContact OD2-CA 3.27Å; D158-T268 WeakPolarHBondContact OD2-CA 3.38Å; D158-K269 PolarHBondContact OD2-N 2.73Å
159	L	95.7	Very high	89	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	149.3	-174	-55.5	176.5	0	0	0	111.3	V147 V149 F155 C157 L244 L245 V260 A261	V147-L159 HydrophobicContact CB-CD1 4.09Å; V147-L159 HydrophobicContact CB-CD2 4.03Å; V147-L159 HydrophobicContact CG1-CD1 4.22Å; V147-L159 HydrophobicContact CG2-CD2 3.84Å; V149-L159 HydrophobicContact CG2-CD1 4Å; F155-L159 HydrophobicContact CD1-CD1 3.91Å; F155-L159 HydrophobicContact CE1-CD1 4.46Å; C157-L159 PolarHBondContact O-N 2.93Å; C157-L159 WeakPolarHBondContact SG-CD2 3.25Å; L159-L244 CarbonylContact O-C 3.57Å; L159-L244 WeakPolarHBondContact O-CA 3.32Å; L159-L245 HydrophobicContact CB-CB 4.24Å; L159-L245 HydrophobicContact CB-CD1 4.4Å; L159-L245 PolarHBondContact N-O 2.97Å; L159-L245 PolarHBondContact O-N 2.83Å; L159-V260 CarbonylContact C-O 3.34Å; L159-V260 VanDerWaalsContact CA-O 3.27Å; L159-V260 WeakPolarHBondContact CA-O 3.47Å; L159-A261 HydrophobicContact CD2-CB 3.99Å
160	I	95.3	Very high	88.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.4	162.1	-66.2	-68.1	0	0	0	108.9	L162 I209 F221 L239 N243 L244 G259 V260 V262	I160-L162 PolarHBondContact O-N 3.44Å; I160-I209 HydrophobicContact CB-CD1 4.47Å; I160-F221 HydrophobicContact CD1-CD1 4.4Å; I160-F221 HydrophobicContact CD1-CE1 3.58Å; I160-F221 HydrophobicContact CD1-CZ 3.76Å; I160-L239 HydrophobicContact CD1-CD1 4.28Å; I160-L239 HydrophobicContact CG1-CD1 4.4Å; I160-L239 HydrophobicContact CG2-CD1 4.26Å; I160-L239 HydrophobicContact CG2-CD2 4.07Å; I160-N243 WeakPolarHBondContact CA-O 3.31Å; I160-L244 HydrophobicContact CD1-CB 4.23Å; I160-L244 HydrophobicContact CD1-CD1 3.81Å; I160-G259 CarbonylContact O-C 3.6Å; I160-G259 WeakPolarHBondContact O-CA 2.85Å; I160-V260 HydrophobicContact CB-CG1 3.97Å; I160-V260 PolarHBondContact N-O 3.05Å; I160-V260 PolarHBondContact O-N 3.22Å; I160-V262 HydrophobicContact CB-CG2 4.29Å; I160-V262 HydrophobicContact CG1-CG2 3.48Å; I160-V262 VanDerWaalsContact CG1-CG2 3.48Å
161	L	95.3	Very high	88.3	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	116.1	-179.9	-179.3	59.3	0	0	0	111.1	C171 H187 A189 V190 N243 L245 I257	L161-C171 HydrophobicContact CD2-CB 4.48Å; L161-C171 VanDerWaalsContact CD2-SG 3.59Å; L161-H187 HydrophobicContact CD2-CB 4.3Å; L161-A189 HydrophobicContact CD2-CB 4.15Å; L161-A189 HydrophobicContact CG-CB 3.87Å; L161-V190 PolarHBondContact O-N 2.97Å; L161-N243 PolarHBondContact N-O 3.38Å; L161-L245 HydrophobicContact CB-CD1 4.08Å; L161-L245 HydrophobicContact CB-CG 4.31Å; L161-L245 HydrophobicContact CD1-CD1 4.26Å; L161-I257 HydrophobicContact CD1-CB 3.88Å; L161-I257 HydrophobicContact CD1-CD1 4.11Å; L161-I257 HydrophobicContact CD1-CG2 4.18Å
162	L	92.5	Very high	88.2	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-46.8	178.8	-64.1	177.8	0	0	0	111.7	V24 I160 T193 I202 L205 I225 Y258 V260	V24-L162 HydrophobicContact CG1-CD1 4.18Å; I160-L162 PolarHBondContact O-N 3.44Å; L162-T193 WeakPolarHBondContact O-CB 3.29Å; L162-T193 PolarHBondContact O-OG1 2.83Å; L162-I202 HydrophobicContact CB-CD1 4.17Å; L162-I202 HydrophobicContact CD1-CD1 4Å; L162-I202 HydrophobicContact CD1-CG1 4.46Å; L162-L205 HydrophobicContact CD1-CD2 4.11Å; L162-L205 HydrophobicContact CD2-CD2 4.35Å; L162-I225 HydrophobicContact CD2-CD1 4.18Å; L162-Y258 PolarHBondContact N-O 3.4Å; L162-V260 HydrophobicContact CD1-CB 4Å; L162-V260 HydrophobicContact CD1-CG1 4.07Å; L162-V260 HydrophobicContact CD2-CG1 4.09Å; L162-V260 HydrophobicContact CG-CB 4.5Å; L162-V260 HydrophobicContact CG-CG1 4.1Å
163	S	91.8	Very high	88.2	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	155.6	178.8	60.9	0	0	0	0	111.4	L196 Y258	S163-L196 WeakPolarHBondContact CB-O 3.14Å; S163-L196 PolarHBondContact OG-O 3.46Å; S163-Y258 PolarHBondContact N-O 2.85Å; S163-Y258 PolarHBondContact O-N 3.23Å; S163-Y258 WeakPolarHBondContact OG-CD2 3.31Å
164	S	90.7	Very high	87.8	Confident	2 Å²	2	24 Å²	24	1%	0.014	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	159.8	177.1	-177.7	0	0	0	0	109	T166 T170 T254	S164-T166 PolarHBondContact O-N 3.35Å; S164-T166 PolarHBondContact OG-N 3.21Å; S164-T166 PolarHBondContact OG-OG1 2.95Å; S164-T170 WeakPolarHBondContact CB-O 3.42Å; S164-T170 PolarHBondContact OG-O 3.18Å; S164-T254 WeakPolarHBondContact OG-CG2 3.31Å
165	C	86	Confident	86.9	Confident	50 Å²	50	20.9 Å²	20.9	34%	0.338	12%	0.121	S	C	.	.	S	Bend	trans	-67.9	-16.6	171	62.2	0	0	0	0	113.2	K256	C165-K256 HydrophobicContact CB-CG 3.99Å; C165-K256 PolarHBondContact N-O 3.19Å; C165-K256 VanDerWaalsContact N-O 3.15Å; C165-K256 PolarHBondContact SG-O 2.77Å
166	T	81.7	Confident	85.5	Confident	43 Å²	43	22.1 Å²	22.1	26%	0.264	13%	0.132	S	C	.	.	S	Bend	trans	-76.3	144.1	176.3	61	0	0	0	0	110.9	S164 D168 G169 T170	S164-T166 PolarHBondContact O-N 3.35Å; S164-T166 PolarHBondContact OG-N 3.21Å; S164-T166 PolarHBondContact OG-OG1 2.95Å; T166-D168 PolarHBondContact O-N 2.55Å; T166-G169 PolarHBondContact O-N 2.92Å; T166-T170 PolarHBondContact OG1-N 2.86Å; T166-T170 VanDerWaalsContact OG1-N 3.1Å; T166-T170 PolarHBondContact OG1-O 2.89Å; T166-T170 PolarHBondContact OG1-OG1 2.88Å
167	T	73.4	Confident	83.9	Confident	129 Å²	129	23 Å²	23	79%	0.791	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-27.7	179.7	44.6	0	0	0	0	113.1	G169	T167-G169 VanDerWaalsContact C-N 3.34Å
168	D	73.6	Confident	82.4	Confident	125 Å²	125	23.1 Å²	23.1	67%	0.668	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-3.4	-175.3	-54.8	-20.2	0	0	0	112.4	T166 T170	T166-D168 PolarHBondContact O-N 2.55Å; D168-T170 VanDerWaalsContact C-N 3.28Å; D168-T170 HydrophobicContact CB-CG2 4.23Å; D168-T170 PolarHBondContact O-N 3.3Å
169	G	82.3	Confident	80.4	Confident	2 Å²	2	23.4 Å²	23.4	2%	0.021	14%	0.14	C	C	.	.			trans	68.6	25.5	-178.4	0	0	0	0	0	113.6	T166 T167 A189	T166-G169 PolarHBondContact O-N 2.92Å; T167-G169 VanDerWaalsContact C-N 3.34Å; G169-A189 WeakPolarHBondContact O-CB 3.5Å; G169-A189 PolarHBondContact O-N 3.12Å
170	T	84.8	Confident	78.2	Confident	19 Å²	19	24.3 Å²	24.3	12%	0.117	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	150.2	179.9	54.3	0	0	0	0	111.7	S164 T166 D168 T186 H187 Y188	S164-T170 WeakPolarHBondContact CB-O 3.42Å; S164-T170 PolarHBondContact OG-O 3.18Å; T166-T170 PolarHBondContact OG1-N 2.86Å; T166-T170 VanDerWaalsContact OG1-N 3.1Å; T166-T170 PolarHBondContact OG1-O 2.89Å; T166-T170 PolarHBondContact OG1-OG1 2.88Å; D168-T170 VanDerWaalsContact C-N 3.28Å; D168-T170 HydrophobicContact CB-CG2 4.23Å; D168-T170 PolarHBondContact O-N 3.3Å; T170-T186 HydrophobicContact CG2-CG2 4.41Å; T170-H187 WeakPolarHBondContact CA-O 3.45Å; T170-Y188 HydrophobicContact CG2-CD1 3.74Å; T170-Y188 HydrophobicContact CG2-CE1 3.68Å
171	C	88.4	Confident	76.3	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	157.6	165.3	75.8	0	0	0	0	111.5	L161 T186 H187 L251 T254 I257	L161-C171 HydrophobicContact CD2-CB 4.48Å; L161-C171 VanDerWaalsContact CD2-SG 3.59Å; C171-T186 WeakPolarHBondContact O-CA 3.39Å; C171-H187 PolarHBondContact N-O 2.96Å; C171-H187 PolarHBondContact O-N 2.98Å; C171-L251 HydrophobicContact CB-CD1 3.94Å; C171-T254 WeakPolarHBondContact CA-OG1 3.23Å; C171-T254 HydrophobicContact CB-CG2 3.95Å; C171-I257 HydrophobicContact CB-CG2 3.79Å
172	Y	86.8	Confident	74.3	Confident	39 Å²	39	31 Å²	31	15%	0.153	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	132.5	178.7	-54.5	-90.9	0	0	0	110.6	K185 T186 K252 N253 T254 E473	Y172-K185 CarbonylContact C-O 3.6Å; Y172-K185 WeakPolarHBondContact CA-O 3.48Å; Y172-T186 HydrophobicContact CE1-CG2 4.32Å; Y172-T186 WeakPolarHBondContact CE1-OG1 3.02Å; Y172-K252 WeakPolarHBondContact CB-O 3.35Å; Y172-K252 PolarHBondContact O-N 3.04Å; Y172-N253 HydrophobicContact CD2-CB 3.95Å; Y172-N253 HydrophobicContact CG-CB 4.42Å; Y172-T254 PolarHBondContact N-OG1 2.8Å; Y172-E473 PolarHBondContact OH-OE1 3.16Å; Y172-E473 PolarHBondContact OH-OE2 3.39Å
173	V	85.6	Confident	72.9	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.3	-177	178.1	0	0	0	0	109.1	F155 T175 K185 L245 A249 T250	F155-V173 HydrophobicContact CE2-CB 4.48Å; F155-V173 HydrophobicContact CE2-CG1 3.82Å; F155-V173 HydrophobicContact CE2-CG2 3.8Å; F155-V173 HydrophobicContact CZ-CG2 4.07Å; V173-T175 HydrophobicContact CG1-CG2 4.26Å; V173-K185 PolarHBondContact N-O 3.4Å; V173-K185 PolarHBondContact O-N 3.47Å; V173-L245 HydrophobicContact CG2-CD2 3.82Å; V173-A249 HydrophobicContact CG1-CB 3.32Å; V173-T250 WeakPolarHBondContact CA-O 3.47Å
174	T	80.3	Confident	71.8	Confident	14 Å²	14	34 Å²	34	9%	0.086	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	122.4	167.7	-60.1	0	0	0	0	108.9	A176 C184 T250 K252	T174-A176 HydrophobicContact CG2-CB 3.61Å; T174-C184 PolarHBondContact OG1-SG 3.47Å; T174-T250 PolarHBondContact N-O 3.42Å; T174-T250 PolarHBondContact O-N 2.87Å; T174-T250 PolarHBondContact O-OG1 2.76Å; T174-K252 VanDerWaalsContact OG1-CG 3.26Å; T174-K252 WeakPolarHBondContact OG1-CG 3.33Å
175	T	69.6	Low	71.3	Confident	4 Å²	4	36.2 Å²	36.2	3%	0.025	22%	0.216	C	C	.	.			trans	-95.3	14.5	177.5	50.6	0	0	0	0	112.5	V173 S177 L178 D179 E181 K185 A249	V173-T175 HydrophobicContact CG1-CG2 4.26Å; T175-S177 PolarHBondContact O-N 2.85Å; T175-L178 HydrophobicContact CG2-CD1 4.42Å; T175-L178 CarbonylContact O-C 3.47Å; T175-L178 VanDerWaalsContact O-CA 3.31Å; T175-L178 WeakPolarHBondContact O-CA 3.15Å; T175-L178 WeakPolarHBondContact O-CB 3.42Å; T175-L178 PolarHBondContact O-N 2.93Å; T175-D179 VanDerWaalsContact C-OD1 3.23Å; T175-D179 WeakPolarHBondContact CB-OD1 3.46Å; T175-D179 WeakPolarHBondContact CB-OD2 3.2Å; T175-D179 PolarHBondContact O-N 2.74Å; T175-D179 PolarHBondContact OG1-OD1 2.68Å; T175-D179 PolarHBondContact OG1-OD2 2.82Å; T175-E181 CarbonylContact C-O 3.58Å; T175-K185 HydrophobicContact CG2-CD 4.2Å; T175-K185 WeakPolarHBondContact OG1-CE 3.43Å; T175-K185 PolarHBondContact OG1-NZ 3.34Å; T175-A249 HydrophobicContact CG2-CB 4.09Å
176	A	62.2	Low	71	Confident	28 Å²	28	36.2 Å²	36.2	23%	0.231	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-32.5	179.3	0	0	0	0	0	114.3	T174 L178 G180 E181	T174-A176 HydrophobicContact CG2-CB 3.61Å; A176-L178 VanDerWaalsContact C-N 3.32Å; A176-G180 VanDerWaalsContact O-CA 3.28Å; A176-G180 WeakPolarHBondContact O-CA 3.32Å; A176-G180 PolarHBondContact O-N 3.13Å; A176-E181 VanDerWaalsContact CA-O 3.26Å; A176-E181 WeakPolarHBondContact CA-O 3.49Å; A176-E181 PolarHBondContact N-O 2.79Å
177	S	58.5	Low	71.3	Confident	27 Å²	27	35.1 Å²	35.1	19%	0.189	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	1.1	176.5	-67.1	0	0	0	0	114.3	T175 G248 Q837	T175-S177 PolarHBondContact O-N 2.85Å; S177-G248 WeakPolarHBondContact CB-O 3.37Å; S177-Q837 VanDerWaalsContact O-CD 3.22Å; S177-Q837 WeakPolarHBondContact O-CG 3.39Å; S177-Q837 PolarHBondContact O-NE2 3.45Å
178	L	60.6	Low	71.9	Confident	2 Å²	2	34 Å²	34	1%	0.01	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-48.5	-179.4	-83.3	171.5	0	0	0	113.6	T175 A176 L246 K247 A249 M270 A818 Q837	T175-L178 HydrophobicContact CG2-CD1 4.42Å; T175-L178 CarbonylContact O-C 3.47Å; T175-L178 VanDerWaalsContact O-CA 3.31Å; T175-L178 WeakPolarHBondContact O-CA 3.15Å; T175-L178 WeakPolarHBondContact O-CB 3.42Å; T175-L178 PolarHBondContact O-N 2.93Å; A176-L178 VanDerWaalsContact C-N 3.32Å; L178-L246 HydrophobicContact CD1-CB 3.28Å; L178-L246 HydrophobicContact CD1-CD1 3.97Å; L178-L246 HydrophobicContact CD1-CG 4.28Å; L178-K247 WeakPolarHBondContact CD2-O 3.3Å; L178-A249 HydrophobicContact CD1-CB 3.64Å; L178-M270 HydrophobicContact CD2-CB 3.78Å; L178-M270 HydrophobicContact CD2-CG 3.75Å; L178-M270 HydrophobicContact CD2-SD 4.2Å; L178-A818 VanDerWaalsContact O-CB 3.28Å; L178-A818 WeakPolarHBondContact O-CB 3.25Å; L178-Q837 WeakPolarHBondContact O-CG 3.47Å; L178-Q837 PolarHBondContact O-NE2 3.2Å; L178-Q837 PolarHBondContact O-OE1 2.86Å
179	D	54.4	Low	72.7	Confident	7 Å²	7	28.5 Å²	28.5	4%	0.037	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-3.6	-178.5	56.4	18	0	0	0	114.4	T175 E181 K185 Y219 G817 A818	T175-D179 VanDerWaalsContact C-OD1 3.23Å; T175-D179 WeakPolarHBondContact CB-OD1 3.46Å; T175-D179 WeakPolarHBondContact CB-OD2 3.2Å; T175-D179 PolarHBondContact O-N 2.74Å; T175-D179 PolarHBondContact OG1-OD1 2.68Å; T175-D179 PolarHBondContact OG1-OD2 2.82Å; D179-E181 HydrophobicContact CB-CG 4.49Å; D179-E181 PolarHBondContact O-N 3.38Å; D179-E181 WeakPolarHBondContact OD1-CB 3.38Å; D179-E181 PolarHBondContact OD1-N 3.48Å; D179-K185 IonicContact OD2-NZ 3.94Å; D179-K185 PolarHBondContact OD2-NZ 3.34Å; D179-Y219 PolarHBondContact OD2-OH 3.49Å; D179-G817 CarbonylContact O-C 3.41Å; D179-G817 VanDerWaalsContact O-CA 3.29Å; D179-G817 WeakPolarHBondContact O-CA 3.44Å; D179-A818 VanDerWaalsContact CA-CB 3.45Å; D179-A818 HydrophobicContact CB-CB 4.09Å; D179-A818 PolarHBondContact O-N 3.13Å
180	G	47.9	Very low	72.9	Confident	19 Å²	19	28.8 Å²	28.8	20%	0.196	16%	0.161	C	C	.	.	S	Bend	trans	78.9	-3.9	-175.7	0	0	0	0	0	113.3	A176 S182	A176-G180 VanDerWaalsContact O-CA 3.28Å; A176-G180 WeakPolarHBondContact O-CA 3.32Å; A176-G180 PolarHBondContact O-N 3.13Å; G180-S182 PolarHBondContact O-N 2.93Å
181	E	55.8	Low	72.7	Confident	63 Å²	63	35.5 Å²	35.5	29%	0.294	19%	0.185	S	C	.	.			trans	-75.5	115.9	178.4	-61.6	178.9	-173.1	0	0	109.7	T175 A176 D179 N183 K185	T175-E181 CarbonylContact C-O 3.58Å; A176-E181 VanDerWaalsContact CA-O 3.26Å; A176-E181 WeakPolarHBondContact CA-O 3.49Å; A176-E181 PolarHBondContact N-O 2.79Å; D179-E181 HydrophobicContact CB-CG 4.49Å; D179-E181 PolarHBondContact O-N 3.38Å; D179-E181 WeakPolarHBondContact OD1-CB 3.38Å; D179-E181 PolarHBondContact OD1-N 3.48Å; E181-N183 PolarHBondContact O-N 2.9Å; E181-K185 WeakPolarHBondContact OE2-CE 3.41Å; E181-K185 IonicContact OE2-NZ 3.86Å; E181-K185 PolarHBondContact OE2-NZ 2.8Å
182	S	52.8	Low	72.4	Confident	76 Å²	76	39 Å²	39	53%	0.531	20%	0.203	S	C	.	.			trans	-75.5	-14.7	176.5	51.9	0	0	0	0	113.1	G180	G180-S182 PolarHBondContact O-N 2.93Å
183	N	64.1	Low	72.4	Confident	45 Å²	45	37.1 Å²	37.1	24%	0.241	20%	0.196	C	C	.	.	S	Bend	trans	-64.2	142.3	178.9	-65	-20.6	0	0	0	111.4	E181 K185 S494	E181-N183 PolarHBondContact O-N 2.9Å; N183-K185 PolarHBondContact O-N 2.8Å; N183-S494 VanDerWaalsContact CB-O 3.3Å; N183-S494 WeakPolarHBondContact CB-O 3.09Å; N183-S494 PolarHBondContact ND2-O 3.2Å
184	C	69.4	Low	72.3	Confident	18 Å²	18	40.2 Å²	40.2	12%	0.122	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	117.1	173.7	-68.4	0	0	0	0	109.6	T174	T174-C184 PolarHBondContact OG1-SG 3.47Å
185	K	78.3	Confident	72.4	Confident	49 Å²	49	43.6 Å²	43.6	21%	0.213	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	137.3	173.9	-64	179.7	-177.2	178	0	109.5	Y172 V173 T175 D179 E181 N183	Y172-K185 CarbonylContact C-O 3.6Å; Y172-K185 WeakPolarHBondContact CA-O 3.48Å; V173-K185 PolarHBondContact N-O 3.4Å; V173-K185 PolarHBondContact O-N 3.47Å; T175-K185 HydrophobicContact CG2-CD 4.2Å; T175-K185 WeakPolarHBondContact OG1-CE 3.43Å; T175-K185 PolarHBondContact OG1-NZ 3.34Å; D179-K185 IonicContact OD2-NZ 3.94Å; D179-K185 PolarHBondContact OD2-NZ 3.34Å; E181-K185 WeakPolarHBondContact OE2-CE 3.41Å; E181-K185 IonicContact OE2-NZ 3.86Å; E181-K185 PolarHBondContact OE2-NZ 2.8Å; N183-K185 PolarHBondContact O-N 2.8Å
186	T	81.6	Confident	73.1	Confident	50 Å²	50	44.9 Å²	44.9	31%	0.307	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.2	177.4	-51.8	0	0	0	0	109.6	T170 C171 Y172 Y188	T170-T186 HydrophobicContact CG2-CG2 4.41Å; C171-T186 WeakPolarHBondContact O-CA 3.39Å; Y172-T186 HydrophobicContact CE1-CG2 4.32Å; Y172-T186 WeakPolarHBondContact CE1-OG1 3.02Å; T186-Y188 HydrophobicContact CG2-CE1 4.45Å; T186-Y188 HydrophobicContact CG2-CE2 4.23Å
187	H	87.4	Confident	74	Confident	21 Å²	21	45.7 Å²	45.7	10%	0.097	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	150	174.7	-75.2	-94.5	0	0	0	110.5	L161 T170 C171 E242 L244 L245	L161-H187 HydrophobicContact CD2-CB 4.3Å; T170-H187 WeakPolarHBondContact CA-O 3.45Å; C171-H187 PolarHBondContact N-O 2.96Å; C171-H187 PolarHBondContact O-N 2.98Å; H187-E242 WeakPolarHBondContact CA-O 3.49Å; H187-E242 WeakPolarHBondContact CB-O 3.38Å; H187-E242 PolarHBondContact ND1-O 3.45Å; H187-L244 PolarHBondContact CE1-O 2.91Å; H187-L244 PolarHBondContact ND1-O 2.96Å; H187-L245 HydrophobicContact CB-CD2 3.82Å
188	Y	86.4	Confident	75.3	Confident	106 Å²	106	48.1 Å²	48.1	42%	0.416	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.6	-173.8	-63.3	-88	0	0	0	111.5	T170 T186 E242 N243	T170-Y188 HydrophobicContact CG2-CD1 3.74Å; T170-Y188 HydrophobicContact CG2-CE1 3.68Å; T186-Y188 HydrophobicContact CG2-CE1 4.45Å; T186-Y188 HydrophobicContact CG2-CE2 4.23Å; Y188-E242 HydrophobicContact CD2-CB 4.25Å; Y188-E242 PolarHBondContact N-O 3.44Å; Y188-N243 PolarHBondContact O-ND2 2.79Å
189	A	90.3	Very high	76.3	Confident	9 Å²	9	49 Å²	49	7%	0.074	27%	0.272	C	S	.	.			trans	-72.3	160.1	172.3	0	0	0	0	0	111.6	L161 G169 R191 I194	L161-A189 HydrophobicContact CD2-CB 4.15Å; L161-A189 HydrophobicContact CG-CB 3.87Å; G169-A189 WeakPolarHBondContact O-CB 3.5Å; G169-A189 PolarHBondContact O-N 3.12Å; A189-R191 PolarHBondContact O-N 3.26Å; A189-I194 HydrophobicContact CB-CG2 4.11Å
190	V	85.3	Confident	77.7	Confident	7 Å²	7	55.5 Å²	55.5	4%	0.042	30%	0.303	C	S	.	.			trans	-66.7	125.8	172	179.3	0	0	0	0	109.1	L161 D192 T193 I194 I225 I227 R237 L239	L161-V190 PolarHBondContact O-N 2.97Å; V190-D192 VanDerWaalsContact C-N 3.29Å; V190-D192 PolarHBondContact O-N 3.1Å; V190-D192 VanDerWaalsContact O-N 3.17Å; V190-T193 WeakPolarHBondContact CB-OG1 3.25Å; V190-T193 PolarHBondContact O-N 2.95Å; V190-T193 PolarHBondContact O-OG1 2.85Å; V190-I194 WeakPolarHBondContact O-CG2 3.37Å; V190-I194 PolarHBondContact O-N 3.41Å; V190-I225 HydrophobicContact CG1-CG2 4.06Å; V190-I225 HydrophobicContact CG2-CG2 4.3Å; V190-I227 HydrophobicContact CG1-CD1 4.17Å; V190-R237 HydrophobicContact CG1-CB 4.48Å; V190-R237 HydrophobicContact CG1-CG 4.39Å; V190-L239 HydrophobicContact CG2-CD2 3.73Å
191	R	81.3	Confident	79.4	Confident	160 Å²	160	55.9 Å²	55.9	60%	0.604	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-54.4	-39.4	-170.8	-70.3	-174.8	178.9	173.8	-0.3	114.2	A189 T193 I194	A189-R191 PolarHBondContact O-N 3.26Å; R191-T193 VanDerWaalsContact C-N 3.27Å; R191-T193 PolarHBondContact O-N 2.95Å; R191-I194 VanDerWaalsContact O-CG1 3.31Å; R191-I194 WeakPolarHBondContact O-CG1 3.34Å
192	D	83	Confident	80.7	Confident	73 Å²	73	53 Å²	53	39%	0.39	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-78.9	-11.2	-176.2	-52.8	-51.1	0	0	0	112.7	V190 I227 R237	V190-D192 VanDerWaalsContact C-N 3.29Å; V190-D192 PolarHBondContact O-N 3.1Å; V190-D192 VanDerWaalsContact O-N 3.17Å; D192-I227 HydrophobicContact CB-CD1 3.89Å; D192-R237 IonicContact OD1-CZ 2.64Å; D192-R237 IonicContact OD1-NE 3.65Å; D192-R237 IonicContact OD1-NH2 2.69Å; D192-R237 PolarHBondContact OD1-NH2 3.36Å; D192-R237 VanDerWaalsContact OD1-NH2 3.1Å; D192-R237 WeakPolarHBondContact OD2-CG 3.31Å; D192-R237 IonicContact OD2-CZ 3.88Å; D192-R237 VanDerWaalsContact OD2-CZ 3.25Å; D192-R237 IonicContact OD2-NE 2.64Å; D192-R237 PolarHBondContact OD2-NE 2.87Å; D192-R237 IonicContact OD2-NH2 3.96Å; D192-R237 PolarHBondContact OD2-NH2 3.23Å
193	T	84.8	Confident	82.1	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.006	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-106.9	-2.3	-179.1	54.3	0	0	0	0	113.7	L162 V190 R191 A195 L196 L205 I227	L162-T193 WeakPolarHBondContact O-CB 3.29Å; L162-T193 PolarHBondContact O-OG1 2.83Å; V190-T193 WeakPolarHBondContact CB-OG1 3.25Å; V190-T193 PolarHBondContact O-N 2.95Å; V190-T193 PolarHBondContact O-OG1 2.85Å; R191-T193 VanDerWaalsContact C-N 3.27Å; R191-T193 PolarHBondContact O-N 2.95Å; T193-A195 PolarHBondContact O-N 2.89Å; T193-A195 VanDerWaalsContact O-N 3.11Å; T193-L196 HydrophobicContact CG2-CD1 4.01Å; T193-L196 VanDerWaalsContact O-CB 3.31Å; T193-L196 WeakPolarHBondContact O-CB 3.37Å; T193-L196 PolarHBondContact O-N 3.28Å; T193-L205 HydrophobicContact CG2-CD1 3.93Å; T193-L205 HydrophobicContact CG2-CD2 3.84Å; T193-I227 HydrophobicContact CG2-CD1 3.92Å
194	I	84.3	Confident	83	Confident	66 Å²	66	54.8 Å²	54.8	34%	0.338	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.9	-178.9	66.4	-175	0	0	0	113.5	A189 V190 R191 L196 C197	A189-I194 HydrophobicContact CB-CG2 4.11Å; V190-I194 WeakPolarHBondContact O-CG2 3.37Å; V190-I194 PolarHBondContact O-N 3.41Å; R191-I194 VanDerWaalsContact O-CG1 3.31Å; R191-I194 WeakPolarHBondContact O-CG1 3.34Å; I194-L196 PolarHBondContact O-N 2.88Å; I194-C197 PolarHBondContact O-SG 3.22Å
195	A	83.2	Confident	83.7	Confident	85 Å²	85	54.7 Å²	54.7	70%	0.702	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-13.5	178.8	0	0	0	0	0	113.3	T193 C197	T193-A195 PolarHBondContact O-N 2.89Å; T193-A195 VanDerWaalsContact O-N 3.11Å; A195-C197 VanDerWaalsContact C-N 3.33Å; A195-C197 PolarHBondContact O-N 2.9Å; A195-C197 VanDerWaalsContact O-N 3.08Å
196	L	84	Confident	84	Confident	31 Å²	31	59.6 Å²	59.6	16%	0.162	31%	0.312	C	S	.	.			trans	-87.4	67.1	-174.3	-55.1	173.9	0	0	0	110.9	S163 T193 I194 S201 I202 L205	S163-L196 WeakPolarHBondContact CB-O 3.14Å; S163-L196 PolarHBondContact OG-O 3.46Å; T193-L196 HydrophobicContact CG2-CD1 4.01Å; T193-L196 VanDerWaalsContact O-CB 3.31Å; T193-L196 WeakPolarHBondContact O-CB 3.37Å; T193-L196 PolarHBondContact O-N 3.28Å; I194-L196 PolarHBondContact O-N 2.88Å; L196-S201 WeakPolarHBondContact CA-OG 3.41Å; L196-I202 HydrophobicContact CB-CD1 3.84Å; L196-I202 HydrophobicContact CD1-CD1 4.04Å; L196-L205 HydrophobicContact CD1-CB 4.12Å; L196-L205 HydrophobicContact CD1-CD1 4Å; L196-L205 HydrophobicContact CD1-CD2 4.08Å; L196-L205 HydrophobicContact CD1-CG 4.29Å
197	C	81.4	Confident	84.2	Confident	45 Å²	45	57.3 Å²	57.3	30%	0.304	30%	0.298	S	S	.	.			trans	-92.2	2.6	-174.4	-58.1	0	0	0	0	114.6	I194 A195 Y258	I194-C197 PolarHBondContact O-SG 3.22Å; A195-C197 VanDerWaalsContact C-N 3.33Å; A195-C197 PolarHBondContact O-N 2.9Å; A195-C197 VanDerWaalsContact O-N 3.08Å; C197-Y258 WeakPolarHBondContact O-CE2 3.41Å
198	T	85.1	Confident	84.2	Confident	78 Å²	78	56.4 Å²	56.4	48%	0.479	30%	0.295	S	S	.	.	S	Bend	trans	-124.5	153.1	-178.9	67.4	0	0	0	0	112.1	E200 S201 I202	T198-E200 PolarHBondContact O-N 2.92Å; T198-S201 PolarHBondContact N-OG 3.48Å; T198-S201 PolarHBondContact O-N 3.45Å; T198-S201 VanDerWaalsContact O-N 3.14Å; T198-S201 PolarHBondContact O-OG 2.86Å; T198-S201 WeakPolarHBondContact OG1-CB 3.23Å; T198-S201 PolarHBondContact OG1-N 3.07Å; T198-S201 PolarHBondContact OG1-OG 3.35Å; T198-I202 PolarHBondContact O-N 2.83Å
199	A	82	Confident	84.3	Confident	20 Å²	20	51.4 Å²	51.4	17%	0.165	28%	0.275	C	S	.	.	H	α-helix	trans	-58.3	-32.6	178.9	0	0	0	0	0	113.3	I128 I202 D203	I128-A199 HydrophobicContact CD1-CB 3.9Å; I128-A199 HydrophobicContact CG1-CB 4.5Å; I128-A199 HydrophobicContact CG2-CB 4.22Å; A199-I202 WeakPolarHBondContact O-CG2 3.2Å; A199-D203 PolarHBondContact O-N 3.38Å
200	E	84.3	Confident	84.1	Confident	144 Å²	144	54 Å²	54	67%	0.673	29%	0.286	S	S	*	.	H	α-helix	trans	-73.4	-44	176	-57.6	-170.7	167.8	0	0	111.4	A131 T198 I202 D203	A131-E200 HydrophobicContact CB-CB 4.49Å; A131-E200 HydrophobicContact CB-CG 4.21Å; T198-E200 PolarHBondContact O-N 2.92Å; E200-I202 PolarHBondContact O-N 3.48Å; E200-D203 PolarHBondContact O-N 3.21Å
201	S	82.1	Confident	84.1	Confident	27 Å²	27	53.9 Å²	53.9	19%	0.189	29%	0.285	C	S	.	.	H	α-helix	trans	-63.3	-40.8	179.4	61.7	0	0	0	0	112.3	L196 T198 D203 T204	L196-S201 WeakPolarHBondContact CA-OG 3.41Å; T198-S201 PolarHBondContact N-OG 3.48Å; T198-S201 PolarHBondContact O-N 3.45Å; T198-S201 VanDerWaalsContact O-N 3.14Å; T198-S201 PolarHBondContact O-OG 2.86Å; T198-S201 WeakPolarHBondContact OG1-CB 3.23Å; T198-S201 PolarHBondContact OG1-N 3.07Å; T198-S201 PolarHBondContact OG1-OG 3.35Å; S201-D203 PolarHBondContact O-N 3.03Å; S201-T204 PolarHBondContact O-N 2.94Å; S201-T204 PolarHBondContact O-OG1 2.7Å
202	I	84.3	Confident	84.2	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-72.2	-29.6	-177.2	-159.2	66.5	0	0	0	112.5	I128 V146 L162 L196 T198 A199 E200 T204 L205	I128-I202 HydrophobicContact CB-CG2 4.45Å; I128-I202 HydrophobicContact CG1-CG2 4.3Å; I128-I202 HydrophobicContact CG2-CG2 4.03Å; V146-I202 HydrophobicContact CG1-CG1 4.01Å; V146-I202 HydrophobicContact CG1-CG2 4.31Å; L162-I202 HydrophobicContact CB-CD1 4.17Å; L162-I202 HydrophobicContact CD1-CD1 4Å; L162-I202 HydrophobicContact CD1-CG1 4.46Å; L196-I202 HydrophobicContact CB-CD1 3.84Å; L196-I202 HydrophobicContact CD1-CD1 4.04Å; T198-I202 PolarHBondContact O-N 2.83Å; A199-I202 WeakPolarHBondContact O-CG2 3.2Å; E200-I202 PolarHBondContact O-N 3.48Å; I202-T204 PolarHBondContact O-N 2.89Å; I202-L205 HydrophobicContact CD1-CD2 4.09Å; I202-L205 VanDerWaalsContact O-CB 3.24Å; I202-L205 WeakPolarHBondContact O-CB 3.42Å; I202-L205 PolarHBondContact O-N 2.94Å
203	D	81.3	Confident	84.4	Confident	51 Å²	51	48.6 Å²	48.6	27%	0.273	27%	0.265	S	S	.	.	H	α-helix	trans	-67.3	-25.8	177.5	-158.8	72	0	0	0	112	N130 A131 A199 E200 S201 L205	N130-D203 PolarHBondContact N-OD1 2.95Å; A131-D203 HydrophobicContact CB-CB 4.12Å; A131-D203 PolarHBondContact N-OD1 2.82Å; A131-D203 VanDerWaalsContact N-OD1 3.14Å; A131-D203 PolarHBondContact N-OD2 3.25Å; A199-D203 PolarHBondContact O-N 3.38Å; E200-D203 PolarHBondContact O-N 3.21Å; S201-D203 PolarHBondContact O-N 3.03Å; D203-L205 VanDerWaalsContact C-N 3.27Å; D203-L205 PolarHBondContact O-N 3.47Å
204	T	82.8	Confident	84.4	Confident	108 Å²	108	49.9 Å²	49.9	66%	0.663	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-11.4	175.9	67.9	0	0	0	0	114	S201 I202 R206	S201-T204 PolarHBondContact O-N 2.94Å; S201-T204 PolarHBondContact O-OG1 2.7Å; I202-T204 PolarHBondContact O-N 2.89Å; T204-R206 PolarHBondContact O-N 3.37Å
205	L	84.2	Confident	84.3	Confident	16 Å²	16	48.8 Å²	48.8	8%	0.084	27%	0.267	C	S	.	.			trans	-70.8	113.4	-175.5	-179.5	62.3	0	0	0	111.2	V24 L162 T193 L196 I202 D203 A207 I227	V24-L205 HydrophobicContact CG1-CD2 4.28Å; L162-L205 HydrophobicContact CD1-CD2 4.11Å; L162-L205 HydrophobicContact CD2-CD2 4.35Å; T193-L205 HydrophobicContact CG2-CD1 3.93Å; T193-L205 HydrophobicContact CG2-CD2 3.84Å; L196-L205 HydrophobicContact CD1-CB 4.12Å; L196-L205 HydrophobicContact CD1-CD1 4Å; L196-L205 HydrophobicContact CD1-CD2 4.08Å; L196-L205 HydrophobicContact CD1-CG 4.29Å; I202-L205 HydrophobicContact CD1-CD2 4.09Å; I202-L205 VanDerWaalsContact O-CB 3.24Å; I202-L205 WeakPolarHBondContact O-CB 3.42Å; I202-L205 PolarHBondContact O-N 2.94Å; D203-L205 VanDerWaalsContact C-N 3.27Å; D203-L205 PolarHBondContact O-N 3.47Å; L205-A207 HydrophobicContact CD1-CB 4.37Å; L205-A207 HydrophobicContact CG-CB 4.24Å; L205-I227 HydrophobicContact CD1-CG2 3.95Å
206	R	85.6	Confident	83.8	Confident	151 Å²	151	47.8 Å²	47.8	57%	0.57	25%	0.253	S	S	*	.			trans	-97.4	106.2	168.2	-64.6	-168	-177.3	-155.7	1.2	109.8	T204 Y228	T204-R206 PolarHBondContact O-N 3.37Å; R206-Y228 PolarHBondContact O-N 3.2Å
207	A	86.1	Confident	83.2	Confident	2 Å²	2	50 Å²	50	2%	0.017	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	148.5	177.2	0	0	0	0	0	112.5	V24 L205 I225 N226 I227	V24-A207 HydrophobicContact CB-CB 4.45Å; V24-A207 HydrophobicContact CG2-CB 3.84Å; V24-A207 PolarHBondContact N-O 3.01Å; L205-A207 HydrophobicContact CD1-CB 4.37Å; L205-A207 HydrophobicContact CG-CB 4.24Å; A207-I225 HydrophobicContact CB-CD1 3.99Å; A207-I225 HydrophobicContact CB-CG1 3.98Å; A207-N226 CarbonylContact C-O 3.52Å; A207-N226 WeakPolarHBondContact CA-O 3.36Å; A207-I227 HydrophobicContact CB-CG1 4.19Å
208	A	87.3	Confident	82.7	Confident	3 Å²	3	49.2 Å²	49.2	3%	0.025	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.2	172.7	0	0	0	0	0	109.8	V22 F23 I225 N226 Y228	V22-A208 CarbonylContact O-C 3.54Å; V22-A208 WeakPolarHBondContact O-CA 3.21Å; F23-A208 HydrophobicContact CD1-CB 3.89Å; F23-A208 HydrophobicContact CE1-CB 3.81Å; A208-I225 CarbonylContact O-C 3.52Å; A208-I225 WeakPolarHBondContact O-CA 3.47Å; A208-N226 PolarHBondContact N-O 3.32Å; A208-N226 PolarHBondContact O-N 2.91Å; A208-Y228 HydrophobicContact CB-CE2 4.05Å
209	I	88.1	Confident	82.1	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.4	178.8	-62.6	171.4	0	0	0	108.5	T21 V22 V24 I160 R224 I225 L239 V260 V262	T21-I209 CarbonylContact C-O 3.59Å; T21-I209 WeakPolarHBondContact CA-O 3.44Å; V22-I209 HydrophobicContact CB-CB 4.37Å; V22-I209 PolarHBondContact N-O 2.79Å; V22-I209 PolarHBondContact O-N 3.15Å; V24-I209 HydrophobicContact CG2-CD1 4.22Å; I160-I209 HydrophobicContact CB-CD1 4.47Å; I209-R224 CarbonylContact C-O 3.49Å; I209-R224 WeakPolarHBondContact CA-O 3.48Å; I209-I225 HydrophobicContact CD1-CD1 4.27Å; I209-I225 HydrophobicContact CG1-CB 4.12Å; I209-I225 HydrophobicContact CG1-CD1 4Å; I209-I225 HydrophobicContact CG1-CG1 3.82Å; I209-L239 HydrophobicContact CG2-CD1 3.81Å; I209-V260 HydrophobicContact CD1-CG1 3.37Å; I209-V262 HydrophobicContact CD1-CG2 4.45Å; I209-V262 HydrophobicContact CG2-CG2 4.49Å
210	E	85.7	Confident	81.8	Confident	65 Å²	65	55 Å²	55	30%	0.304	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.6	171.4	-69.3	172.7	177.5	0	0	108.7	R20 T21 G223 R224	R20-E210 WeakPolarHBondContact O-CA 3.45Å; T21-E210 HydrophobicContact CG2-CG 4.1Å; E210-G223 CarbonylContact O-C 3.56Å; E210-G223 WeakPolarHBondContact O-CA 3.38Å; E210-R224 PolarHBondContact N-O 3.27Å; E210-R224 PolarHBondContact O-N 3.29Å; E210-R224 IonicContact OE1-NH2 3.28Å; E210-R224 IonicContact OE2-CZ 3.69Å; E210-R224 IonicContact OE2-NE 2.82Å; E210-R224 PolarHBondContact OE2-NE 2.87Å; E210-R224 IonicContact OE2-NH2 3.48Å; E210-R224 PolarHBondContact OE2-NH2 2.94Å
211	C	85	Confident	81.8	Confident	4 Å²	4	48.5 Å²	48.5	3%	0.027	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	169.4	178	52.7	0	0	0	0	112	R20 F221 V262	R20-C211 WeakPolarHBondContact CD-SG 3.36Å; R20-C211 WeakPolarHBondContact CG-SG 3.46Å; R20-C211 PolarHBondContact N-O 3.35Å; R20-C211 PolarHBondContact O-N 2.98Å; C211-F221 HydrophobicContact CB-CE2 3.96Å; C211-F221 HydrophobicContact CB-CZ 3.78Å; C211-V262 WeakPolarHBondContact SG-CG1 3.45Å
212	E	84.3	Confident	81.7	Confident	43 Å²	43	51.2 Å²	51.2	20%	0.201	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	161.8	175.5	65.6	-172	160.3	0	0	112.7	Q215 F221 V222 Y263	E212-Q215 PolarHBondContact OE1-NE2 3.31Å; E212-Q215 PolarHBondContact OE2-NE2 2.9Å; E212-Q215 VanDerWaalsContact OE2-NE2 3.09Å; E212-F221 WeakPolarHBondContact OE1-CA 3.49Å; E212-V222 PolarHBondContact N-O 3.41Å; E212-V222 PolarHBondContact OE1-N 2.88Å; E212-V222 VanDerWaalsContact OE1-N 3.13Å; E212-Y263 PolarHBondContact O-OH 2.68Å
213	Q	86.1	Confident	81.7	Confident	78 Å²	78	51.6 Å²	51.6	36%	0.364	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-63	146.3	169.1	-71.9	-71.1	-16.9	0	0	110.1	G18 Q215	G18-Q213 WeakPolarHBondContact O-CG 3.09Å; Q213-Q215 PolarHBondContact O-N 3.06Å
214	P	85.8	Confident	81.7	Confident	29 Å²	29	54.1 Å²	54.1	19%	0.188	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-61.9	125.5	-172.8	27.3	-34.6	0	0	0	110.6	Y263 E267 L272	P214-Y263 HydrophobicContact CB-CD1 3.87Å; P214-Y263 HydrophobicContact CB-CE1 3.77Å; P214-Y263 HydrophobicContact CB-CG 4.38Å; P214-Y263 HydrophobicContact CG-CD1 4.45Å; P214-Y263 HydrophobicContact CG-CE1 4.38Å; P214-E267 HydrophobicContact CB-CB 4.25Å; P214-E267 WeakPolarHBondContact CB-O 3.44Å; P214-E267 HydrophobicContact CG-CB 3.95Å; P214-E267 HydrophobicContact CG-CG 3.94Å; P214-L272 HydrophobicContact CB-CD1 3.87Å
215	Q	81.5	Confident	81.9	Confident	43 Å²	43	49 Å²	49	20%	0.201	23%	0.233	C	C	.	.			trans	-116	150.2	178.4	65.2	-176.9	-21.4	0	0	110.6	E212 Q213 D217 K220	E212-Q215 PolarHBondContact OE1-NE2 3.31Å; E212-Q215 PolarHBondContact OE2-NE2 2.9Å; E212-Q215 VanDerWaalsContact OE2-NE2 3.09Å; Q213-Q215 PolarHBondContact O-N 3.06Å; Q215-D217 HydrophobicContact CG-CB 4.39Å; Q215-D217 PolarHBondContact O-N 3.49Å; Q215-K220 PolarHBondContact NE2-O 3.39Å
216	P	72.8	Confident	81.9	Confident	64 Å²	64	48.9 Å²	48.9	42%	0.416	23%	0.233	S	C	.	.	S	Bend	trans	-70.7	-14.6	-179.2	28	-34.7	0	0	0	113.7	L218 L272 N273	P216-L218 PolarHBondContact O-N 2.84Å; P216-L272 HydrophobicContact CB-CB 4.22Å; P216-N273 PolarHBondContact O-ND2 3.35Å; P216-N273 PolarHBondContact O-OD1 2.96Å
217	D	71.6	Confident	81.9	Confident	76 Å²	76	42.6 Å²	42.6	41%	0.406	21%	0.21	S	C	.	.			trans	-68.2	114.1	178.1	-171.3	-10.1	0	0	0	111.1	Q215 Y219 K220 K269	Q215-D217 HydrophobicContact CG-CB 4.39Å; Q215-D217 PolarHBondContact O-N 3.49Å; D217-Y219 VanDerWaalsContact C-N 3.33Å; D217-Y219 PolarHBondContact O-N 2.83Å; D217-Y219 PolarHBondContact OD1-N 3.19Å; D217-Y219 VanDerWaalsContact OD1-N 3.12Å; D217-K220 HydrophobicContact CB-CB 4.3Å; D217-K269 WeakPolarHBondContact O-CD 3.23Å; D217-K269 WeakPolarHBondContact O-CE 3.45Å; D217-K269 PolarHBondContact O-NZ 3.4Å
218	L	71.2	Confident	81.7	Confident	29 Å²	29	46.5 Å²	46.5	15%	0.152	23%	0.225	C	C	.	.	S	Bend	trans	-63.9	-37.5	-177.3	-68.5	164.5	0	0	0	111.8	P216 L246 K269	P216-L218 PolarHBondContact O-N 2.84Å; L218-L246 HydrophobicContact CD2-CD1 4.13Å; L218-K269 HydrophobicContact CD2-CB 4.01Å; L218-K269 PolarHBondContact O-NZ 3.25Å; L218-K269 VanDerWaalsContact O-NZ 3.15Å
219	Y	73.1	Confident	80.8	Confident	113 Å²	113	49.2 Å²	49.2	44%	0.443	24%	0.244	S	C	.	.	S	Bend	trans	-91	-14.5	-168.1	-62.8	-71.9	0	0	0	114.4	D179 D217 P241	D179-Y219 PolarHBondContact OD2-OH 3.49Å; D217-Y219 VanDerWaalsContact C-N 3.33Å; D217-Y219 PolarHBondContact O-N 2.83Å; D217-Y219 PolarHBondContact OD1-N 3.19Å; D217-Y219 VanDerWaalsContact OD1-N 3.12Å; Y219-P241 WeakPolarHBondContact O-CB 3.18Å
220	K	75.4	Confident	79.6	Confident	108 Å²	108	58 Å²	58	47%	0.47	29%	0.291	S	S	.	.			trans	-101.7	117.2	-179.4	-171.9	178.5	177.9	-179	0	111.4	Q215 D217 K269	Q215-K220 PolarHBondContact NE2-O 3.39Å; D217-K220 HydrophobicContact CB-CB 4.3Å; K220-K269 PolarHBondContact O-NZ 2.88Å
221	F	83.3	Confident	78.2	Confident	7 Å²	7	58.5 Å²	58.5	3%	0.031	30%	0.302	C	S	.	.			trans	-138.8	129.4	170.6	179.3	-100.4	0	0	0	109.5	I160 C211 E212 L239 L244 Y263	I160-F221 HydrophobicContact CD1-CD1 4.4Å; I160-F221 HydrophobicContact CD1-CE1 3.58Å; I160-F221 HydrophobicContact CD1-CZ 3.76Å; C211-F221 HydrophobicContact CB-CE2 3.96Å; C211-F221 HydrophobicContact CB-CZ 3.78Å; E212-F221 WeakPolarHBondContact OE1-CA 3.49Å; F221-L239 HydrophobicContact CE1-CB 3.88Å; F221-L239 HydrophobicContact CE1-CD1 4.46Å; F221-L244 HydrophobicContact CB-CD2 3.95Å; F221-L244 HydrophobicContact CD1-CB 4.37Å; F221-L244 HydrophobicContact CD2-CD1 4.3Å; F221-L244 HydrophobicContact CD2-CD2 3.85Å; F221-L244 HydrophobicContact CE2-CD1 4.23Å; F221-L244 HydrophobicContact CG-CB 4.35Å; F221-L244 HydrophobicContact CG-CD2 3.92Å; F221-L244 HydrophobicContact CZ-CD1 4.48Å; F221-Y263 HydrophobicContact CD2-CE2 4.2Å; F221-Y263 AromaticContact CE2-CE2 3.91Å; F221-Y263 HydrophobicContact CE2-CE2 3.91Å
222	V	80.3	Confident	76.9	Confident	84 Å²	84	67.7 Å²	67.7	51%	0.509	35%	0.349	S	S	.	.			trans	-124.2	121.6	175.5	-174.1	0	0	0	0	109.1	E212	E212-V222 PolarHBondContact N-O 3.41Å; E212-V222 PolarHBondContact OE1-N 2.88Å; E212-V222 VanDerWaalsContact OE1-N 3.13Å
223	G	84.4	Confident	75.9	Confident	9 Å²	9	73.4 Å²	73.4	9%	0.093	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	176.8	175.1	0	0	0	0	0	113.3	E210 L239	E210-G223 CarbonylContact O-C 3.56Å; E210-G223 WeakPolarHBondContact O-CA 3.38Å; G223-L239 PolarHBondContact N-O 2.99Å; G223-L239 PolarHBondContact O-N 3.02Å
224	R	81.9	Confident	75	Confident	104 Å²	104	71.5 Å²	71.5	39%	0.392	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	139.3	176	-179.8	175.6	72.9	150.8	0.9	109	I209 E210 N226 A236 R237	I209-R224 CarbonylContact C-O 3.49Å; I209-R224 WeakPolarHBondContact CA-O 3.48Å; E210-R224 PolarHBondContact N-O 3.27Å; E210-R224 PolarHBondContact O-N 3.29Å; E210-R224 IonicContact OE1-NH2 3.28Å; E210-R224 IonicContact OE2-CZ 3.69Å; E210-R224 IonicContact OE2-NE 2.82Å; E210-R224 PolarHBondContact OE2-NE 2.87Å; E210-R224 IonicContact OE2-NH2 3.48Å; E210-R224 PolarHBondContact OE2-NH2 2.94Å; R224-N226 PolarHBondContact NE-OD1 3.31Å; R224-A236 HydrophobicContact CG-CB 4.38Å; R224-R237 CarbonylContact C-O 3.58Å; R224-R237 VanDerWaalsContact CA-O 3.27Å; R224-R237 WeakPolarHBondContact CA-O 3.46Å; R224-R237 WeakPolarHBondContact CG-O 3.37Å
225	I	86.3	Confident	74.7	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.7	170.5	-172.9	170.3	0	0	0	109.6	L162 V190 A207 A208 I209 I227 A236 R237 L239	L162-I225 HydrophobicContact CD2-CD1 4.18Å; V190-I225 HydrophobicContact CG1-CG2 4.06Å; V190-I225 HydrophobicContact CG2-CG2 4.3Å; A207-I225 HydrophobicContact CB-CD1 3.99Å; A207-I225 HydrophobicContact CB-CG1 3.98Å; A208-I225 CarbonylContact O-C 3.52Å; A208-I225 WeakPolarHBondContact O-CA 3.47Å; I209-I225 HydrophobicContact CD1-CD1 4.27Å; I209-I225 HydrophobicContact CG1-CB 4.12Å; I209-I225 HydrophobicContact CG1-CD1 4Å; I209-I225 HydrophobicContact CG1-CG1 3.82Å; I225-I227 HydrophobicContact CD1-CG1 4.25Å; I225-I227 HydrophobicContact CG1-CG1 4.07Å; I225-A236 CarbonylContact O-C 3.59Å; I225-A236 WeakPolarHBondContact O-CA 3.47Å; I225-R237 HydrophobicContact CG2-CB 3.73Å; I225-R237 PolarHBondContact N-O 3.24Å; I225-R237 PolarHBondContact O-N 2.91Å; I225-L239 HydrophobicContact CB-CD1 4.14Å; I225-L239 HydrophobicContact CB-CD2 4.41Å; I225-L239 HydrophobicContact CB-CG 4.35Å; I225-L239 HydrophobicContact CG2-CD2 3.96Å; I225-L239 HydrophobicContact CG2-CG 4.24Å
226	N	84.9	Confident	74.4	Confident	14 Å²	14	72.7 Å²	72.7	8%	0.075	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	109.7	174.5	-62.8	-20.4	0	0	0	107.6	A207 A208 R224 Y228	A207-N226 CarbonylContact C-O 3.52Å; A207-N226 WeakPolarHBondContact CA-O 3.36Å; A208-N226 PolarHBondContact N-O 3.32Å; A208-N226 PolarHBondContact O-N 2.91Å; R224-N226 PolarHBondContact NE-OD1 3.31Å; N226-Y228 HydrophobicContact CB-CE2 4.25Å
227	I	85.1	Confident	74.8	Confident	20 Å²	20	74 Å²	74	10%	0.103	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	125.6	179.8	-56.7	170.1	0	0	0	108.4	V190 D192 T193 L205 A207 I225 V235	V190-I227 HydrophobicContact CG1-CD1 4.17Å; D192-I227 HydrophobicContact CB-CD1 3.89Å; T193-I227 HydrophobicContact CG2-CD1 3.92Å; L205-I227 HydrophobicContact CD1-CG2 3.95Å; A207-I227 HydrophobicContact CB-CG1 4.19Å; I225-I227 HydrophobicContact CD1-CG1 4.25Å; I225-I227 HydrophobicContact CG1-CG1 4.07Å; I227-V235 PolarHBondContact N-O 2.83Å; I227-V235 PolarHBondContact O-N 3.07Å
228	Y	80.9	Confident	75.1	Confident	84 Å²	84	75.5 Å²	75.5	33%	0.329	40%	0.401	S	S	.	.			trans	-100.6	105.2	179.7	-58.2	-85.8	0	0	0	109.1	V29 R206 A208 N226 A234	V29-Y228 HydrophobicContact CB-CE2 4.43Å; V29-Y228 HydrophobicContact CG1-CD1 4.14Å; V29-Y228 HydrophobicContact CG1-CD2 4.12Å; V29-Y228 HydrophobicContact CG1-CE1 4.06Å; V29-Y228 HydrophobicContact CG1-CE2 4.07Å; V29-Y228 HydrophobicContact CG1-CG 4.16Å; V29-Y228 HydrophobicContact CG2-CD2 3.85Å; V29-Y228 HydrophobicContact CG2-CE2 3.71Å; R206-Y228 PolarHBondContact O-N 3.2Å; A208-Y228 HydrophobicContact CB-CE2 4.05Å; N226-Y228 HydrophobicContact CB-CE2 4.25Å; Y228-A234 HydrophobicContact CD1-CB 3.64Å; Y228-A234 HydrophobicContact CE1-CB 3.49Å; Y228-A234 VanDerWaalsContact CE1-CB 3.49Å; Y228-A234 HydrophobicContact CG-CB 4.48Å
229	S	69.3	Low	75.7	Confident	60 Å²	60	74.3 Å²	74.3	42%	0.42	40%	0.395	S	S	.	.			trans	-83.6	176.9	166.1	55.7	0	0	0	0	109.9	S231	S229-S231 PolarHBondContact O-N 2.93Å; S229-S231 PolarHBondContact OG-OG 3.18Å
230	N	63.2	Low	76	Confident	185 Å²	185	69.4 Å²	69.4	99%	0.989	38%	0.379	S	S	*	.	S	Bend	trans	-65.3	-2.8	174.6	-70.8	-20.2	0	0	0	113.9
231	S	56.6	Low	76.4	Confident	75 Å²	75	67 Å²	67	52%	0.524	37%	0.374	S	S	.	.	S	Bend	trans	-88.7	146.8	171.3	49.8	0	0	0	0	111.4	S229 E233	S229-S231 PolarHBondContact O-N 2.93Å; S229-S231 PolarHBondContact OG-OG 3.18Å; S231-E233 PolarHBondContact O-N 2.65Å
232	L	56.6	Low	76.4	Confident	197 Å²	197	70.3 Å²	70.3	100%	1.031	39%	0.39	S	S	*	.	S	Bend	trans	-59.6	-10.5	-174.1	-90.2	136.2	0	0	0	116.1
233	E	63.4	Low	76.9	Confident	162 Å²	162	67 Å²	67	76%	0.757	37%	0.369	S	S	*	.	S	Bend	trans	-114.4	125.5	-175.2	-161.3	164.2	-164.3	0	0	111.4	S231	S231-E233 PolarHBondContact O-N 2.65Å
234	A	68.4	Low	77.3	Confident	38 Å²	38	66.8 Å²	66.8	31%	0.314	37%	0.366	S	S	.	.			trans	-77.9	130.6	-178.7	0	0	0	0	0	111.1	Y228 A236	Y228-A234 HydrophobicContact CD1-CB 3.64Å; Y228-A234 HydrophobicContact CE1-CB 3.49Å; Y228-A234 VanDerWaalsContact CE1-CB 3.49Å; Y228-A234 HydrophobicContact CG-CB 4.48Å; A234-A236 PolarHBondContact O-N 2.84Å
235	V	78.9	Confident	77.9	Confident	52 Å²	52	61.8 Å²	61.8	32%	0.315	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	109.1	176.5	180	0	0	0	0	108.8	I227 R237	I227-V235 PolarHBondContact N-O 2.83Å; I227-V235 PolarHBondContact O-N 3.07Å; V235-R237 HydrophobicContact CG1-CG 4.49Å; V235-R237 VanDerWaalsContact CG1-CZ 3.45Å
236	A	75.6	Confident	78.1	Confident	46 Å²	46	63 Å²	63	38%	0.38	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.6	175.5	0	0	0	0	0	111.4	R224 I225 A234	R224-A236 HydrophobicContact CG-CB 4.38Å; I225-A236 CarbonylContact O-C 3.59Å; I225-A236 WeakPolarHBondContact O-CA 3.47Å; A234-A236 PolarHBondContact O-N 2.84Å
237	R	80.1	Confident	78.2	Confident	92 Å²	92	62.7 Å²	62.7	35%	0.347	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138.6	171.5	-61.1	-63.1	-175.2	-131.8	-0.4	110.6	V190 D192 R224 I225 V235	V190-R237 HydrophobicContact CG1-CB 4.48Å; V190-R237 HydrophobicContact CG1-CG 4.39Å; D192-R237 IonicContact OD1-CZ 2.64Å; D192-R237 IonicContact OD1-NE 3.65Å; D192-R237 IonicContact OD1-NH2 2.69Å; D192-R237 PolarHBondContact OD1-NH2 3.36Å; D192-R237 VanDerWaalsContact OD1-NH2 3.1Å; D192-R237 WeakPolarHBondContact OD2-CG 3.31Å; D192-R237 IonicContact OD2-CZ 3.88Å; D192-R237 VanDerWaalsContact OD2-CZ 3.25Å; D192-R237 IonicContact OD2-NE 2.64Å; D192-R237 PolarHBondContact OD2-NE 2.87Å; D192-R237 IonicContact OD2-NH2 3.96Å; D192-R237 PolarHBondContact OD2-NH2 3.23Å; R224-R237 CarbonylContact C-O 3.58Å; R224-R237 VanDerWaalsContact CA-O 3.27Å; R224-R237 WeakPolarHBondContact CA-O 3.46Å; R224-R237 WeakPolarHBondContact CG-O 3.37Å; I225-R237 HydrophobicContact CG2-CB 3.73Å; I225-R237 PolarHBondContact N-O 3.24Å; I225-R237 PolarHBondContact O-N 2.91Å; V235-R237 HydrophobicContact CG1-CG 4.49Å; V235-R237 VanDerWaalsContact CG1-CZ 3.45Å
238	S	77.9	Confident	78	Confident	106 Å²	106	62.2 Å²	62.2	74%	0.741	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	142.4	172.8	-165.7	0	0	0	0	110
239	L	83.6	Confident	78.2	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.021	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.9	171.8	-61	172.7	0	0	0	109.2	I160 V190 I209 F221 G223 I225 N243	I160-L239 HydrophobicContact CD1-CD1 4.28Å; I160-L239 HydrophobicContact CG1-CD1 4.4Å; I160-L239 HydrophobicContact CG2-CD1 4.26Å; I160-L239 HydrophobicContact CG2-CD2 4.07Å; V190-L239 HydrophobicContact CG2-CD2 3.73Å; I209-L239 HydrophobicContact CG2-CD1 3.81Å; F221-L239 HydrophobicContact CE1-CB 3.88Å; F221-L239 HydrophobicContact CE1-CD1 4.46Å; G223-L239 PolarHBondContact N-O 2.99Å; G223-L239 PolarHBondContact O-N 3.02Å; I225-L239 HydrophobicContact CB-CD1 4.14Å; I225-L239 HydrophobicContact CB-CD2 4.41Å; I225-L239 HydrophobicContact CB-CG 4.35Å; I225-L239 HydrophobicContact CG2-CD2 3.96Å; I225-L239 HydrophobicContact CG2-CG 4.24Å; L239-N243 HydrophobicContact CD2-CB 4.18Å
240	G	80.3	Confident	79	Confident	11 Å²	11	56.3 Å²	56.3	11%	0.113	32%	0.322	C	S	.	.			trans	-117.8	-176.7	175.5	0	0	0	0	0	112.5	E242 N243	G240-E242 PolarHBondContact O-N 3.26Å; G240-N243 PolarHBondContact N-OD1 2.8Å; G240-N243 PolarHBondContact O-N 3.32Å; G240-N243 VanDerWaalsContact O-N 3.15Å
241	P	82.9	Confident	80.3	Confident	57 Å²	57	47.5 Å²	47.5	37%	0.37	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-62.2	-26.7	174.6	27.4	-34.3	0	0	0	112.7	Y219 N243 L244	Y219-P241 WeakPolarHBondContact O-CB 3.18Å; P241-N243 PolarHBondContact O-N 2.84Å; P241-L244 PolarHBondContact O-N 3.29Å; P241-L244 VanDerWaalsContact O-N 3.17Å
242	E	83.9	Confident	81.6	Confident	76 Å²	76	47 Å²	47	36%	0.355	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-64.2	-18.4	175.2	64.3	-101.2	-148	0	0	114.1	H187 Y188 G240	H187-E242 WeakPolarHBondContact CA-O 3.49Å; H187-E242 WeakPolarHBondContact CB-O 3.38Å; H187-E242 PolarHBondContact ND1-O 3.45Å; Y188-E242 HydrophobicContact CD2-CB 4.25Å; Y188-E242 PolarHBondContact N-O 3.44Å; G240-E242 PolarHBondContact O-N 3.26Å
243	N	89.9	Confident	82.6	Confident	14 Å²	14	40.6 Å²	40.6	8%	0.075	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-96	-14.1	177.8	-50.4	115.1	0	0	0	112.9	I160 L161 Y188 L239 G240 P241	I160-N243 WeakPolarHBondContact CA-O 3.31Å; L161-N243 PolarHBondContact N-O 3.38Å; Y188-N243 PolarHBondContact O-ND2 2.79Å; L239-N243 HydrophobicContact CD2-CB 4.18Å; G240-N243 PolarHBondContact N-OD1 2.8Å; G240-N243 PolarHBondContact O-N 3.32Å; G240-N243 VanDerWaalsContact O-N 3.15Å; P241-N243 PolarHBondContact O-N 2.84Å
244	L	93.3	Very high	83.7	Confident	5 Å²	5	33.2 Å²	33.2	3%	0.026	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	124.7	-175.8	-174.6	73.8	0	0	0	110.7	D158 L159 I160 H187 F221 P241 L246 K269	D158-L244 HydrophobicContact CB-CD1 4.27Å; L159-L244 CarbonylContact O-C 3.57Å; L159-L244 WeakPolarHBondContact O-CA 3.32Å; I160-L244 HydrophobicContact CD1-CB 4.23Å; I160-L244 HydrophobicContact CD1-CD1 3.81Å; H187-L244 PolarHBondContact CE1-O 2.91Å; H187-L244 PolarHBondContact ND1-O 2.96Å; F221-L244 HydrophobicContact CB-CD2 3.95Å; F221-L244 HydrophobicContact CD1-CB 4.37Å; F221-L244 HydrophobicContact CD2-CD1 4.3Å; F221-L244 HydrophobicContact CD2-CD2 3.85Å; F221-L244 HydrophobicContact CE2-CD1 4.23Å; F221-L244 HydrophobicContact CG-CB 4.35Å; F221-L244 HydrophobicContact CG-CD2 3.92Å; F221-L244 HydrophobicContact CZ-CD1 4.48Å; P241-L244 PolarHBondContact O-N 3.29Å; P241-L244 VanDerWaalsContact O-N 3.17Å; L244-L246 HydrophobicContact CD2-CD2 3.65Å; L244-L246 HydrophobicContact CG-CD2 4.12Å; L244-K269 HydrophobicContact CD2-CD 4.33Å
245	L	94.6	Very high	84.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	122.5	173.5	-50.5	172.9	0	0	0	108.2	F155 D158 L159 L161 V173 H187 I257	F155-L245 HydrophobicContact CD1-CB 4.37Å; F155-L245 HydrophobicContact CD2-CB 4.16Å; F155-L245 HydrophobicContact CE1-CB 4.24Å; F155-L245 HydrophobicContact CE1-CD1 3.8Å; F155-L245 HydrophobicContact CE2-CB 4Å; F155-L245 HydrophobicContact CE2-CD2 4.45Å; F155-L245 HydrophobicContact CG-CB 4.36Å; F155-L245 HydrophobicContact CZ-CB 4.05Å; F155-L245 HydrophobicContact CZ-CD1 3.82Å; F155-L245 HydrophobicContact CZ-CD2 4.26Å; F155-L245 HydrophobicContact CZ-CG 4.28Å; D158-L245 CarbonylContact C-O 3.45Å; D158-L245 VanDerWaalsContact CA-O 3.26Å; D158-L245 WeakPolarHBondContact CA-O 2.9Å; L159-L245 HydrophobicContact CB-CB 4.24Å; L159-L245 HydrophobicContact CB-CD1 4.4Å; L159-L245 PolarHBondContact N-O 2.97Å; L159-L245 PolarHBondContact O-N 2.83Å; L161-L245 HydrophobicContact CB-CD1 4.08Å; L161-L245 HydrophobicContact CB-CG 4.31Å; L161-L245 HydrophobicContact CD1-CD1 4.26Å; V173-L245 HydrophobicContact CG2-CD2 3.82Å; H187-L245 HydrophobicContact CB-CD2 3.82Å; L245-I257 HydrophobicContact CD1-CD1 3.37Å
246	L	91.2	Very high	85.2	Confident	24 Å²	24	39 Å²	39	13%	0.126	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-90.1	141.2	-170.8	-63.2	172	0	0	0	111.6	F155 L178 L218 L244 G248 A249 K269	F155-L246 WeakPolarHBondContact CB-O 3.37Å; L178-L246 HydrophobicContact CD1-CB 3.28Å; L178-L246 HydrophobicContact CD1-CD1 3.97Å; L178-L246 HydrophobicContact CD1-CG 4.28Å; L218-L246 HydrophobicContact CD2-CD1 4.13Å; L244-L246 HydrophobicContact CD2-CD2 3.65Å; L244-L246 HydrophobicContact CG-CD2 4.12Å; L246-G248 PolarHBondContact O-N 2.81Å; L246-A249 WeakPolarHBondContact O-CB 3.49Å; L246-A249 PolarHBondContact O-N 2.87Å; L246-K269 HydrophobicContact CD2-CB 4.34Å; L246-K269 HydrophobicContact CD2-CD 3.85Å; L246-K269 HydrophobicContact CD2-CG 4.37Å
247	K	87.4	Confident	86.1	Confident	8 Å²	8	36.8 Å²	36.8	4%	0.035	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	131	172.1	-179.4	171.1	-174.5	144.3	0	110.9	N43 P156 D158 L178 A249 T268 M270	N43-K247 PolarHBondContact OD1-NZ 2.89Å; P156-K247 WeakPolarHBondContact O-CD 3.2Å; P156-K247 WeakPolarHBondContact O-CE 3.26Å; P156-K247 PolarHBondContact O-NZ 3.4Å; D158-K247 WeakPolarHBondContact OD1-CB 3.26Å; D158-K247 PolarHBondContact OD1-N 2.88Å; L178-K247 WeakPolarHBondContact CD2-O 3.3Å; K247-A249 VanDerWaalsContact C-N 3.32Å; K247-T268 HydrophobicContact CB-CG2 4.26Å; K247-T268 HydrophobicContact CD-CG2 3.81Å; K247-M270 HydrophobicContact CG-SD 4.33Å
248	G	79.5	Confident	86.8	Confident	10 Å²	10	32.8 Å²	32.8	10%	0.103	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	89	-12.6	-178.9	0	0	0	0	0	114.4	F155 S177 L246	F155-G248 PolarHBondContact O-N 3.03Å; S177-G248 WeakPolarHBondContact CB-O 3.37Å; L246-G248 PolarHBondContact O-N 2.81Å
249	A	86	Confident	87.6	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.143	C	C	.	.			trans	-72.3	154.9	166.6	0	0	0	0	0	110.3	T154 F155 V173 T175 L178 L246 K247	T154-A249 CarbonylContact C-O 3.59Å; T154-A249 WeakPolarHBondContact CA-O 3.38Å; F155-A249 HydrophobicContact CD2-CB 3.77Å; F155-A249 WeakPolarHBondContact CD2-O 3.05Å; F155-A249 HydrophobicContact CE2-CB 4.18Å; F155-A249 PolarHBondContact N-O 2.98Å; V173-A249 HydrophobicContact CG1-CB 3.32Å; T175-A249 HydrophobicContact CG2-CB 4.09Å; L178-A249 HydrophobicContact CD1-CB 3.64Å; L246-A249 WeakPolarHBondContact O-CB 3.49Å; L246-A249 PolarHBondContact O-N 2.87Å; K247-A249 VanDerWaalsContact C-N 3.32Å
250	T	85.7	Confident	88.1	Confident	21 Å²	21	27.6 Å²	27.6	13%	0.129	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.3	-179.1	53.5	0	0	0	0	110.9	E153 T154 V173 T174	E153-T250 WeakPolarHBondContact O-CA 3.03Å; T154-T250 HydrophobicContact CG2-CG2 4.42Å; V173-T250 WeakPolarHBondContact CA-O 3.47Å; T174-T250 PolarHBondContact N-O 3.42Å; T174-T250 PolarHBondContact O-N 2.87Å; T174-T250 PolarHBondContact O-OG1 2.76Å
251	L	89.8	Confident	88.8	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	130.9	174.1	-173.8	66.3	0	0	0	109.7	V149 Q150 D152 E153 F155 C171 I257	V149-L251 HydrophobicContact CG1-CB 4.34Å; V149-L251 HydrophobicContact CG1-CD2 4.31Å; Q150-L251 WeakPolarHBondContact O-CD2 3.47Å; D152-L251 WeakPolarHBondContact CA-O 3.24Å; D152-L251 PolarHBondContact N-O 3.16Å; E153-L251 PolarHBondContact O-N 3.04Å; F155-L251 HydrophobicContact CZ-CB 4.13Å; F155-L251 HydrophobicContact CZ-CD1 4.23Å; C171-L251 HydrophobicContact CB-CD1 3.94Å; L251-I257 HydrophobicContact CD1-CD1 4.12Å; L251-I257 HydrophobicContact CD1-CG2 4.18Å; L251-I257 HydrophobicContact CD2-CD1 4.34Å; L251-I257 HydrophobicContact CD2-CG1 4.08Å; L251-I257 HydrophobicContact CD2-CG2 4.14Å
252	K	84.4	Confident	89.3	Confident	65 Å²	65	24.3 Å²	24.3	28%	0.283	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	153.9	177.3	-68.8	-54.9	-166.8	-172.8	0	110.1	D152 Y172 T174 T254	D152-K252 WeakPolarHBondContact OD1-CD 3.45Å; D152-K252 WeakPolarHBondContact OD1-CE 3.48Å; D152-K252 IonicContact OD1-NZ 3.2Å; D152-K252 PolarHBondContact OD1-NZ 2.87Å; Y172-K252 WeakPolarHBondContact CB-O 3.35Å; Y172-K252 PolarHBondContact O-N 3.04Å; T174-K252 VanDerWaalsContact OG1-CG 3.26Å; T174-K252 WeakPolarHBondContact OG1-CG 3.33Å; K252-T254 PolarHBondContact O-N 3.32Å; K252-T254 PolarHBondContact O-OG1 3.04Å
253	N	78.4	Confident	89.8	Confident	61 Å²	61	20.7 Å²	20.7	33%	0.326	10%	0.102	S	C	.	.	S	Bend	trans	50.3	28	170.8	-54.1	-28.4	0	0	0	114.5	Y172	Y172-N253 HydrophobicContact CD2-CB 3.95Å; Y172-N253 HydrophobicContact CG-CB 4.42Å
254	T	85.5	Confident	89.9	Confident	7 Å²	7	20 Å²	20	4%	0.043	10%	0.099	C	C	.	.			trans	-146.6	125.4	178.3	-55.3	0	0	0	0	107	A151 S164 C171 Y172 K252 I257	A151-T254 WeakPolarHBondContact CA-O 3.32Å; A151-T254 VanDerWaalsContact CB-O 3.28Å; A151-T254 WeakPolarHBondContact CB-O 3.44Å; S164-T254 WeakPolarHBondContact OG-CG2 3.31Å; C171-T254 WeakPolarHBondContact CA-OG1 3.23Å; C171-T254 HydrophobicContact CB-CG2 3.95Å; Y172-T254 PolarHBondContact N-OG1 2.8Å; K252-T254 PolarHBondContact O-N 3.32Å; K252-T254 PolarHBondContact O-OG1 3.04Å; T254-I257 HydrophobicContact CG2-CG2 3.72Å
255	E	88.4	Confident	89.7	Confident	145 Å²	145	19.8 Å²	19.8	68%	0.678	10%	0.097	S	C	*	.	S	Bend	trans	-65.3	-46.5	-171.5	-168.7	-173.2	171	0	0	112	Q150 A151	Q150-E255 CarbonylContact C-O 3.49Å; Q150-E255 WeakPolarHBondContact CA-O 3.29Å; A151-E255 PolarHBondContact N-O 3.43Å
256	K	91.3	Very high	89.2	Confident	67 Å²	67	23.7 Å²	23.7	29%	0.291	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	154.9	176.4	63.4	178.8	-177.9	172.9	0	112.4	V149 C165	V149-K256 CarbonylContact O-C 3.57Å; V149-K256 VanDerWaalsContact O-CA 3.24Å; V149-K256 WeakPolarHBondContact O-CA 3.21Å; C165-K256 HydrophobicContact CB-CG 3.99Å; C165-K256 PolarHBondContact N-O 3.19Å; C165-K256 VanDerWaalsContact N-O 3.15Å; C165-K256 PolarHBondContact SG-O 2.77Å
257	I	94.9	Very high	89.1	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	159.4	173.4	65.4	172.2	0	0	0	111.1	E148 V149 F155 L161 C171 L245 L251 T254	E148-I257 WeakPolarHBondContact CA-O 3.31Å; V149-I257 HydrophobicContact CB-CD1 4.35Å; V149-I257 HydrophobicContact CB-CG1 3.91Å; V149-I257 PolarHBondContact N-O 2.98Å; V149-I257 VanDerWaalsContact N-O 3.11Å; V149-I257 PolarHBondContact O-N 3.07Å; F155-I257 HydrophobicContact CE1-CD1 3.51Å; F155-I257 HydrophobicContact CZ-CD1 3.81Å; L161-I257 HydrophobicContact CD1-CB 3.88Å; L161-I257 HydrophobicContact CD1-CD1 4.11Å; L161-I257 HydrophobicContact CD1-CG2 4.18Å; C171-I257 HydrophobicContact CB-CG2 3.79Å; L245-I257 HydrophobicContact CD1-CD1 3.37Å; L251-I257 HydrophobicContact CD1-CD1 4.12Å; L251-I257 HydrophobicContact CD1-CG2 4.18Å; L251-I257 HydrophobicContact CD2-CD1 4.34Å; L251-I257 HydrophobicContact CD2-CG1 4.08Å; L251-I257 HydrophobicContact CD2-CG2 4.14Å; T254-I257 HydrophobicContact CG2-CG2 3.72Å
258	Y	94.4	Very high	89.1	Confident	8 Å²	8	24.5 Å²	24.5	3%	0.031	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.9	167.5	-63.4	-75.4	0	0	0	109.7	I128 V146 E148 L162 S163 C197	I128-Y258 HydrophobicContact CD1-CE1 4.05Å; I128-Y258 HydrophobicContact CG1-CD1 4.16Å; I128-Y258 HydrophobicContact CG1-CE1 3.99Å; V146-Y258 HydrophobicContact CG1-CD1 4.44Å; E148-Y258 HydrophobicContact CB-CD1 4.03Å; E148-Y258 HydrophobicContact CB-CE1 3.77Å; E148-Y258 HydrophobicContact CG-CD1 4.21Å; E148-Y258 HydrophobicContact CG-CE1 3.66Å; E148-Y258 VanDerWaalsContact OE2-CE1 3.28Å; E148-Y258 WeakPolarHBondContact OE2-CE1 3.44Å; E148-Y258 PolarHBondContact OE2-OH 2.64Å; L162-Y258 PolarHBondContact N-O 3.4Å; S163-Y258 PolarHBondContact N-O 2.85Å; S163-Y258 PolarHBondContact O-N 3.23Å; S163-Y258 WeakPolarHBondContact OG-CD2 3.31Å; C197-Y258 WeakPolarHBondContact O-CE2 3.41Å
259	G	94.4	Very high	89.4	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	157	176	0	0	0	0	0	112	V146 V147 I160	V146-G259 CarbonylContact C-O 3.52Å; V146-G259 WeakPolarHBondContact CA-O 3.37Å; V147-G259 PolarHBondContact N-O 3.04Å; V147-G259 PolarHBondContact O-N 2.95Å; I160-G259 CarbonylContact O-C 3.6Å; I160-G259 WeakPolarHBondContact O-CA 2.85Å
260	V	94.3	Very high	89.1	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.5	177	56.4	0	0	0	0	111.1	V24 D145 L159 I160 L162 I209 V262	V24-V260 HydrophobicContact CG1-CG2 4.43Å; V24-V260 HydrophobicContact CG2-CG1 4.37Å; V24-V260 HydrophobicContact CG2-CG2 4.21Å; D145-V260 WeakPolarHBondContact O-CA 3.39Å; L159-V260 CarbonylContact C-O 3.34Å; L159-V260 VanDerWaalsContact CA-O 3.27Å; L159-V260 WeakPolarHBondContact CA-O 3.47Å; I160-V260 HydrophobicContact CB-CG1 3.97Å; I160-V260 PolarHBondContact N-O 3.05Å; I160-V260 PolarHBondContact O-N 3.22Å; L162-V260 HydrophobicContact CD1-CB 4Å; L162-V260 HydrophobicContact CD1-CG1 4.07Å; L162-V260 HydrophobicContact CD2-CG1 4.09Å; L162-V260 HydrophobicContact CG-CB 4.5Å; L162-V260 HydrophobicContact CG-CG1 4.1Å; I209-V260 HydrophobicContact CD1-CG1 3.37Å; V260-V262 PolarHBondContact O-N 2.98Å
261	A	95.1	Very high	88.8	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	118.5	-179.2	0	0	0	0	0	112.1	I141 K142 G144 D145 L159 T264	I141-A261 HydrophobicContact CG2-CB 4.02Å; K142-A261 WeakPolarHBondContact O-CB 3.3Å; G144-A261 PolarHBondContact N-O 3Å; D145-A261 PolarHBondContact O-N 3.19Å; L159-A261 HydrophobicContact CD2-CB 3.99Å; A261-T264 HydrophobicContact CB-CG2 4.44Å
262	V	93.3	Very high	88	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-47.6	178.8	177	0	0	0	0	111.5	R20 D158 I160 I209 C211 V260	R20-V262 VanDerWaalsContact CZ-O 3.26Å; R20-V262 PolarHBondContact NH2-O 2.87Å; D158-V262 PolarHBondContact O-N 2.65Å; I160-V262 HydrophobicContact CB-CG2 4.29Å; I160-V262 HydrophobicContact CG1-CG2 3.48Å; I160-V262 VanDerWaalsContact CG1-CG2 3.48Å; I209-V262 HydrophobicContact CD1-CG2 4.45Å; I209-V262 HydrophobicContact CG2-CG2 4.49Å; C211-V262 WeakPolarHBondContact SG-CG1 3.45Å; V260-V262 PolarHBondContact O-N 2.98Å
263	Y	93.3	Very high	87.2	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.3	173.4	-51.9	-58.4	0	0	0	110.3	R20 C157 D158 E212 P214 F221 T268	R20-Y263 VanDerWaalsContact CD-CE1 3.44Å; R20-Y263 VanDerWaalsContact NH1-CD1 3.29Å; C157-Y263 WeakPolarHBondContact CB-O 3.3Å; D158-Y263 HydrophobicContact CB-CD2 3.98Å; D158-Y263 HydrophobicContact CB-CG 4.45Å; D158-Y263 PolarHBondContact N-O 3Å; D158-Y263 VanDerWaalsContact N-O 3.11Å; D158-Y263 PolarHBondContact O-N 2.82Å; E212-Y263 PolarHBondContact O-OH 2.68Å; P214-Y263 HydrophobicContact CB-CD1 3.87Å; P214-Y263 HydrophobicContact CB-CE1 3.77Å; P214-Y263 HydrophobicContact CB-CG 4.38Å; P214-Y263 HydrophobicContact CG-CD1 4.45Å; P214-Y263 HydrophobicContact CG-CE1 4.38Å; F221-Y263 HydrophobicContact CD2-CE2 4.2Å; F221-Y263 AromaticContact CE2-CE2 3.91Å; F221-Y263 HydrophobicContact CE2-CE2 3.91Å; Y263-T268 WeakPolarHBondContact O-CG2 3.34Å
264	T	93.2	Very high	86.4	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.134	C	C	.	.			trans	-119.6	155.6	-179.9	47.9	0	0	0	0	110.9	C41 N43 I141 V143 C157 A261 M266 E267	C41-T264 PolarHBondContact O-OG1 3.43Å; C41-T264 PolarHBondContact SG-O 2.89Å; N43-T264 HydrophobicContact CB-CG2 4.24Å; I141-T264 HydrophobicContact CG2-CG2 4.44Å; V143-T264 HydrophobicContact CG2-CG2 3.76Å; V143-T264 VanDerWaalsContact CG2-OG1 3.28Å; V143-T264 WeakPolarHBondContact CG2-OG1 3.46Å; C157-T264 HydrophobicContact CB-CG2 4.38Å; A261-T264 HydrophobicContact CB-CG2 4.44Å; T264-M266 PolarHBondContact O-N 3.1Å; T264-E267 PolarHBondContact O-N 3.17Å; T264-E267 VanDerWaalsContact O-N 3.1Å
265	G	88.6	Confident	84.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	58.2	-126.3	167.8	0	0	0	0	0	114	D42 N43 E267 T268 A271	D42-G265 VanDerWaalsContact O-CA 3.31Å; D42-G265 WeakPolarHBondContact O-CA 3.48Å; N43-G265 PolarHBondContact OD1-N 3.25Å; G265-E267 VanDerWaalsContact C-N 3.28Å; G265-E267 PolarHBondContact O-N 3.14Å; G265-T268 PolarHBondContact O-N 3.28Å; G265-T268 PolarHBondContact O-OG1 3.06Å; G265-A271 WeakPolarHBondContact O-CB 3.4Å
266	M	84.4	Confident	83.1	Confident	82 Å²	82	30.8 Å²	30.8	40%	0.404	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-77.7	-8.5	-177.7	-64.3	-58.9	-64.8	0	0	114.1	T264 A271	T264-M266 PolarHBondContact O-N 3.1Å; M266-A271 HydrophobicContact CE-CB 4.49Å; M266-A271 HydrophobicContact SD-CB 4.24Å
267	E	89.3	Confident	81.2	Confident	49 Å²	49	31.1 Å²	31.1	23%	0.229	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-86.1	-13.6	172.8	-76.8	177.5	-160.7	0	0	113.1	R20 C41 P214 T264 G265	R20-E267 IonicContact CZ-OE2 2.82Å; R20-E267 IonicContact NH1-OE2 3.3Å; R20-E267 PolarHBondContact NH1-OE2 3.49Å; R20-E267 IonicContact NH2-OE2 2.83Å; C41-E267 WeakPolarHBondContact SG-CG 3.41Å; P214-E267 HydrophobicContact CB-CB 4.25Å; P214-E267 WeakPolarHBondContact CB-O 3.44Å; P214-E267 HydrophobicContact CG-CB 3.95Å; P214-E267 HydrophobicContact CG-CG 3.94Å; T264-E267 PolarHBondContact O-N 3.17Å; T264-E267 VanDerWaalsContact O-N 3.1Å; G265-E267 VanDerWaalsContact C-N 3.28Å; G265-E267 PolarHBondContact O-N 3.14Å
268	T	87.9	Confident	79.2	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-59	145.5	175.6	58.3	0	0	0	0	111.2	C157 D158 K247 Y263 G265 M270 A271 L272	C157-T268 HydrophobicContact CB-CG2 4.46Å; D158-T268 VanDerWaalsContact OD2-CA 3.27Å; D158-T268 WeakPolarHBondContact OD2-CA 3.38Å; K247-T268 HydrophobicContact CB-CG2 4.26Å; K247-T268 HydrophobicContact CD-CG2 3.81Å; Y263-T268 WeakPolarHBondContact O-CG2 3.34Å; G265-T268 PolarHBondContact O-N 3.28Å; G265-T268 PolarHBondContact O-OG1 3.06Å; T268-M270 PolarHBondContact O-N 3.47Å; T268-A271 PolarHBondContact O-N 3.16Å; T268-A271 VanDerWaalsContact OG1-CB 3.28Å; T268-A271 WeakPolarHBondContact OG1-CB 3.31Å; T268-A271 PolarHBondContact OG1-N 3.45Å; T268-L272 PolarHBondContact O-N 3.49Å
269	K	84.7	Confident	77.5	Confident	1 Å²	1	40.8 Å²	40.8	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-58.4	-35.9	-177.6	-62.6	-164.9	177.4	-169.2	0	112.3	D158 D217 L218 K220 L244 L246 L272 N273	D158-K269 PolarHBondContact OD2-N 2.73Å; D217-K269 WeakPolarHBondContact O-CD 3.23Å; D217-K269 WeakPolarHBondContact O-CE 3.45Å; D217-K269 PolarHBondContact O-NZ 3.4Å; L218-K269 HydrophobicContact CD2-CB 4.01Å; L218-K269 PolarHBondContact O-NZ 3.25Å; L218-K269 VanDerWaalsContact O-NZ 3.15Å; K220-K269 PolarHBondContact O-NZ 2.88Å; L244-K269 HydrophobicContact CD2-CD 4.33Å; L246-K269 HydrophobicContact CD2-CB 4.34Å; L246-K269 HydrophobicContact CD2-CD 3.85Å; L246-K269 HydrophobicContact CD2-CG 4.37Å; K269-L272 PolarHBondContact O-N 3.43Å; K269-N273 PolarHBondContact O-N 3.24Å; K269-N273 PolarHBondContact O-ND2 3.36Å
270	M	80.3	Confident	76.5	Confident	40 Å²	40	42.6 Å²	42.6	20%	0.197	23%	0.232	C	C	.	.	H	α-helix	trans	-60.3	-48	172.8	-174.6	-169.1	-179.8	0	0	111.9	L178 K247 T268 N273 Y274	L178-M270 HydrophobicContact CD2-CB 3.78Å; L178-M270 HydrophobicContact CD2-CG 3.75Å; L178-M270 HydrophobicContact CD2-SD 4.2Å; K247-M270 HydrophobicContact CG-SD 4.33Å; T268-M270 PolarHBondContact O-N 3.47Å; M270-N273 PolarHBondContact O-N 2.94Å; M270-Y274 PolarHBondContact O-N 2.81Å
271	A	78	Confident	75.6	Confident	15 Å²	15	49.7 Å²	49.7	12%	0.124	26%	0.259	C	S	.	.	H	α-helix	trans	-69.9	-32.1	-178.6	0	0	0	0	0	112.6	G265 M266 T268 N273 Y274	G265-A271 WeakPolarHBondContact O-CB 3.4Å; M266-A271 HydrophobicContact CE-CB 4.49Å; M266-A271 HydrophobicContact SD-CB 4.24Å; T268-A271 PolarHBondContact O-N 3.16Å; T268-A271 VanDerWaalsContact OG1-CB 3.28Å; T268-A271 WeakPolarHBondContact OG1-CB 3.31Å; T268-A271 PolarHBondContact OG1-N 3.45Å; A271-N273 VanDerWaalsContact C-N 3.31Å; A271-N273 PolarHBondContact O-N 2.89Å; A271-Y274 WeakPolarHBondContact O-CA 3.31Å; A271-Y274 WeakPolarHBondContact O-CB 3.4Å; A271-Y274 PolarHBondContact O-N 2.7Å
272	L	74.8	Confident	74.9	Confident	41 Å²	41	49.8 Å²	49.8	22%	0.215	26%	0.259	C	S	.	.	H	α-helix	trans	-65.9	-33.3	172.9	-70.2	-178.7	0	0	0	112.6	P214 P216 T268 K269 Y274 Q275	P214-L272 HydrophobicContact CB-CD1 3.87Å; P216-L272 HydrophobicContact CB-CB 4.22Å; T268-L272 PolarHBondContact O-N 3.49Å; K269-L272 PolarHBondContact O-N 3.43Å; L272-Y274 PolarHBondContact O-N 3.11Å; L272-Q275 WeakPolarHBondContact O-CG 3.3Å; L272-Q275 PolarHBondContact O-N 3.08Å
273	N	66.8	Low	74.4	Confident	67 Å²	67	50.7 Å²	50.7	36%	0.358	27%	0.267	S	S	.	.	H	α-helix	trans	-76.4	-9.9	172.1	-74.9	-59.5	0	0	0	113.3	P216 K269 M270 A271 Q275	P216-N273 PolarHBondContact O-ND2 3.35Å; P216-N273 PolarHBondContact O-OD1 2.96Å; K269-N273 PolarHBondContact O-N 3.24Å; K269-N273 PolarHBondContact O-ND2 3.36Å; M270-N273 PolarHBondContact O-N 2.94Å; A271-N273 VanDerWaalsContact C-N 3.31Å; A271-N273 PolarHBondContact O-N 2.89Å; N273-Q275 PolarHBondContact O-N 2.69Å
274	Y	61.3	Low	74.1	Confident	59 Å²	59	50.7 Å²	50.7	23%	0.231	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	4.8	171.6	-154	-103.2	0	0	0	113.2	S47 M270 A271 L272 G276	S47-Y274 WeakPolarHBondContact CB-OH 3.45Å; M270-Y274 PolarHBondContact O-N 2.81Å; A271-Y274 WeakPolarHBondContact O-CA 3.31Å; A271-Y274 WeakPolarHBondContact O-CB 3.4Å; A271-Y274 PolarHBondContact O-N 2.7Å; L272-Y274 PolarHBondContact O-N 3.11Å; Y274-G276 PolarHBondContact O-N 3.28Å; Y274-G276 VanDerWaalsContact O-N 3.07Å
275	Q	52.2	Low	73.7	Confident	150 Å²	150	52.9 Å²	52.9	70%	0.701	28%	0.277	S	S	*	.			trans	-39.3	118.5	-176.5	-95.4	-177.2	28.3	0	0	111.5	L272 N273 K277	L272-Q275 WeakPolarHBondContact O-CG 3.3Å; L272-Q275 PolarHBondContact O-N 3.08Å; N273-Q275 PolarHBondContact O-N 2.69Å; Q275-K277 PolarHBondContact O-N 3.06Å
276	G	51.8	Low	73.5	Confident	68 Å²	68	58.3 Å²	58.3	70%	0.701	30%	0.301	S	S	*	.			trans	-47.4	126.2	-155.4	0	0	0	0	0	113.7	Y274 S278	Y274-G276 PolarHBondContact O-N 3.28Å; Y274-G276 VanDerWaalsContact O-N 3.07Å; G276-S278 PolarHBondContact O-N 3.05Å
277	K	52.9	Low	73.7	Confident	74 Å²	74	55.5 Å²	55.5	32%	0.322	29%	0.289	S	S	.	.			trans	-37.3	107.9	174.7	-61.5	-172.2	178.7	-163.9	0	109.6	Q275 Q279 R840	Q275-K277 PolarHBondContact O-N 3.06Å; K277-Q279 PolarHBondContact O-N 3.36Å; K277-Q279 VanDerWaalsContact O-N 3.12Å; K277-R840 PolarHBondContact NZ-O 3.22Å
278	S	52	Low	73.7	Confident	101 Å²	101	53.4 Å²	53.4	71%	0.706	28%	0.279	S	S	*	.			trans	-59.1	119.8	170.5	-177.7	0	0	0	0	106.5	G276 K280	G276-S278 PolarHBondContact O-N 3.05Å; S278-K280 PolarHBondContact O-N 2.78Å
279	Q	60	Low	73.7	Confident	109 Å²	109	55.7 Å²	55.7	51%	0.509	29%	0.291	S	S	.	.			trans	-65.4	108.3	-174.6	-169.2	169.4	12.9	0	0	109.1	K277	K277-Q279 PolarHBondContact O-N 3.36Å; K277-Q279 VanDerWaalsContact O-N 3.12Å
280	K	73.2	Confident	74	Confident	38 Å²	38	58 Å²	58	17%	0.165	31%	0.311	C	S	.	.			trans	-66.6	143.3	174.5	-55.9	-171.5	-174.9	-178.4	0	108.3	S278 L396 I824 S827 H828 D843	S278-K280 PolarHBondContact O-N 2.78Å; K280-L396 HydrophobicContact CB-CD1 3.93Å; K280-L396 HydrophobicContact CB-CD2 4.01Å; K280-L396 HydrophobicContact CD-CD1 4.03Å; K280-I824 PolarHBondContact NZ-O 2.77Å; K280-S827 WeakPolarHBondContact CD-O 3.27Å; K280-S827 WeakPolarHBondContact CE-O 3.44Å; K280-S827 PolarHBondContact NZ-O 3.31Å; K280-H828 WeakPolarHBondContact CD-O 3.33Å; K280-D843 WeakPolarHBondContact CD-OD2 3.45Å; K280-D843 WeakPolarHBondContact CE-OD2 3.3Å; K280-D843 IonicContact NZ-OD2 3.38Å; K280-D843 PolarHBondContact NZ-OD2 3.29Å
281	R	73.6	Confident	74.5	Confident	150 Å²	150	56.8 Å²	56.8	57%	0.566	30%	0.304	S	S	*	.			trans	-123.9	129.5	-179.1	-68.7	-176.9	177.3	-168.4	-6.6	108.7
282	S	81.4	Confident	75	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.007	30%	0.3	C	S	.	.			trans	-65.7	149.4	178.8	171.8	0	0	0	0	112.3	V284 E285 K286 E398 E399	S282-V284 VanDerWaalsContact C-N 3.26Å; S282-V284 PolarHBondContact O-N 3.31Å; S282-V284 PolarHBondContact OG-N 3.17Å; S282-E285 PolarHBondContact O-N 3.05Å; S282-K286 PolarHBondContact O-N 3.02Å; S282-E398 WeakPolarHBondContact CB-OE1 3.13Å; S282-E398 WeakPolarHBondContact OG-CG 3.5Å; S282-E398 PolarHBondContact OG-OE1 2.79Å; S282-E398 VanDerWaalsContact OG-OE1 3.13Å; S282-E399 VanDerWaalsContact CA-OE2 3.24Å; S282-E399 WeakPolarHBondContact CA-OE2 3.39Å; S282-E399 VanDerWaalsContact CB-OE2 3.32Å; S282-E399 WeakPolarHBondContact CB-OE2 3.5Å; S282-E399 PolarHBondContact OG-OE2 3.19Å
283	A	82.5	Confident	75.8	Confident	19 Å²	19	59.4 Å²	59.4	16%	0.157	32%	0.315	C	S	.	.	H	α-helix	trans	-59.2	-35.3	167.1	0	0	0	0	0	112.5	K286 S287 E399 I810	A283-K286 WeakPolarHBondContact O-CB 3.41Å; A283-K286 PolarHBondContact O-N 3.15Å; A283-S287 PolarHBondContact O-N 3.33Å; A283-S287 VanDerWaalsContact O-N 3.1Å; A283-E399 WeakPolarHBondContact CB-OE1 3.39Å; A283-E399 PolarHBondContact N-OE1 2.93Å; A283-E399 PolarHBondContact N-OE2 3.26Å; A283-I810 HydrophobicContact CB-CD1 3.9Å
284	V	86.4	Confident	77	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.6	-43.1	177.6	173.4	0	0	0	0	110.7	S282 K286 S287 I288 E398 Y864 I867 L948	S282-V284 VanDerWaalsContact C-N 3.26Å; S282-V284 PolarHBondContact O-N 3.31Å; S282-V284 PolarHBondContact OG-N 3.17Å; V284-K286 VanDerWaalsContact C-N 3.29Å; V284-K286 PolarHBondContact O-N 2.97Å; V284-S287 WeakPolarHBondContact O-CB 3.48Å; V284-S287 PolarHBondContact O-N 3.34Å; V284-S287 VanDerWaalsContact O-N 3.09Å; V284-I288 HydrophobicContact CG1-CD1 4.06Å; V284-I288 HydrophobicContact CG1-CG1 4.38Å; V284-I288 WeakPolarHBondContact O-CG1 3.39Å; V284-I288 PolarHBondContact O-N 2.88Å; V284-E398 HydrophobicContact CB-CG 3.93Å; V284-E398 HydrophobicContact CG2-CB 4.41Å; V284-E398 HydrophobicContact CG2-CG 3.72Å; V284-Y864 HydrophobicContact CG2-CD2 4.14Å; V284-Y864 HydrophobicContact CG2-CE2 4.08Å; V284-I867 HydrophobicContact CG1-CD1 4.1Å; V284-I867 HydrophobicContact CG1-CG1 4.3Å; V284-I867 HydrophobicContact CG1-CG2 4.12Å; V284-I867 HydrophobicContact CG2-CG2 4.26Å; V284-L948 HydrophobicContact CB-CD1 4.23Å; V284-L948 HydrophobicContact CG1-CD1 3.7Å; V284-L948 HydrophobicContact CG2-CD1 3.97Å
285	E	84.8	Confident	78.4	Confident	47 Å²	47	56.3 Å²	56.3	22%	0.22	31%	0.305	C	S	.	.	H	α-helix	trans	-62.1	-35.5	175.7	-70.4	-174.1	179.8	0	0	112.9	S282 I288 N289 K367	S282-E285 PolarHBondContact O-N 3.05Å; E285-I288 PolarHBondContact O-N 3.36Å; E285-N289 PolarHBondContact O-N 3.47Å; E285-N289 VanDerWaalsContact O-N 3.07Å; E285-N289 PolarHBondContact O-ND2 3.33Å; E285-K367 IonicContact OE1-NZ 3.99Å; E285-K367 PolarHBondContact OE1-NZ 3.25Å
286	K	86	Confident	80.3	Confident	114 Å²	114	52 Å²	52	50%	0.496	29%	0.286	S	S	.	.	H	α-helix	trans	-63.2	-43.4	173.3	-65	174.2	-171.8	164.8	0	110.7	S282 A283 V284 N289 A290	S282-K286 PolarHBondContact O-N 3.02Å; A283-K286 WeakPolarHBondContact O-CB 3.41Å; A283-K286 PolarHBondContact O-N 3.15Å; V284-K286 VanDerWaalsContact C-N 3.29Å; V284-K286 PolarHBondContact O-N 2.97Å; K286-N289 PolarHBondContact O-N 3.03Å; K286-A290 PolarHBondContact O-N 2.96Å
287	S	88.1	Confident	82.3	Confident	22 Å²	22	55.5 Å²	55.5	15%	0.154	28%	0.282	C	S	.	.	H	α-helix	trans	-64.5	-40.7	175.1	-66	0	0	0	0	112.8	A283 V284 N289 A290 F291 N945	A283-S287 PolarHBondContact O-N 3.33Å; A283-S287 VanDerWaalsContact O-N 3.1Å; V284-S287 WeakPolarHBondContact O-CB 3.48Å; V284-S287 PolarHBondContact O-N 3.34Å; V284-S287 VanDerWaalsContact O-N 3.09Å; S287-N289 VanDerWaalsContact C-N 3.3Å; S287-N289 PolarHBondContact O-N 2.96Å; S287-A290 WeakPolarHBondContact O-CB 3.09Å; S287-A290 PolarHBondContact O-N 3.47Å; S287-A290 VanDerWaalsContact O-N 3.09Å; S287-F291 WeakPolarHBondContact O-CG 3.28Å; S287-F291 PolarHBondContact O-N 3.28Å; S287-N945 PolarHBondContact OG-ND2 2.86Å
288	I	89	Confident	84.2	Confident	5 Å²	5	54 Å²	54	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-57.7	-44.8	174.8	-67.6	168.5	0	0	0	110.4	V284 E285 A290 F291 L292 M359 Y360 V871	V284-I288 HydrophobicContact CG1-CD1 4.06Å; V284-I288 HydrophobicContact CG1-CG1 4.38Å; V284-I288 WeakPolarHBondContact O-CG1 3.39Å; V284-I288 PolarHBondContact O-N 2.88Å; E285-I288 PolarHBondContact O-N 3.36Å; I288-A290 VanDerWaalsContact C-N 3.32Å; I288-A290 PolarHBondContact O-N 3.27Å; I288-F291 PolarHBondContact O-N 3.21Å; I288-L292 WeakPolarHBondContact O-CB 3.26Å; I288-L292 PolarHBondContact O-N 3.3Å; I288-M359 HydrophobicContact CG2-CE 3.59Å; I288-M359 HydrophobicContact CG2-SD 4.32Å; I288-Y360 HydrophobicContact CG2-CE1 4.36Å; I288-V871 HydrophobicContact CD1-CG2 3.71Å; I288-V871 HydrophobicContact CG1-CG1 3.91Å; I288-V871 HydrophobicContact CG1-CG2 3.84Å
289	N	88.3	Confident	86.2	Confident	49 Å²	49	49.2 Å²	49.2	26%	0.262	24%	0.244	S	C	.	.	H	α-helix	trans	-64.7	-36.3	176.9	-71.4	-53.9	0	0	0	112.2	E285 K286 S287 L292 I293	E285-N289 PolarHBondContact O-N 3.47Å; E285-N289 VanDerWaalsContact O-N 3.07Å; E285-N289 PolarHBondContact O-ND2 3.33Å; K286-N289 PolarHBondContact O-N 3.03Å; S287-N289 VanDerWaalsContact C-N 3.3Å; S287-N289 PolarHBondContact O-N 2.96Å; N289-L292 WeakPolarHBondContact O-CB 3.42Å; N289-L292 PolarHBondContact O-N 2.84Å; N289-I293 WeakPolarHBondContact O-CG1 3.18Å; N289-I293 PolarHBondContact O-N 3.08Å
290	A	89.9	Confident	87.9	Confident	50 Å²	50	47.4 Å²	47.4	41%	0.413	24%	0.237	S	C	.	.	H	α-helix	trans	-65.1	-43.5	174.4	0	0	0	0	0	111.9	K286 S287 I288 L292 I293 V294	K286-A290 PolarHBondContact O-N 2.96Å; S287-A290 WeakPolarHBondContact O-CB 3.09Å; S287-A290 PolarHBondContact O-N 3.47Å; S287-A290 VanDerWaalsContact O-N 3.09Å; I288-A290 VanDerWaalsContact C-N 3.32Å; I288-A290 PolarHBondContact O-N 3.27Å; A290-L292 VanDerWaalsContact C-N 3.33Å; A290-L292 PolarHBondContact O-N 3.43Å; A290-I293 PolarHBondContact O-N 3.42Å; A290-V294 PolarHBondContact O-N 2.98Å
291	F	91.2	Very high	88.9	Confident	13 Å²	13	48.6 Å²	48.6	6%	0.057	25%	0.248	C	C	.	.	H	α-helix	trans	-63	-40.4	174.8	-66.3	-10.6	0	0	0	111.9	S287 I288 I293 V294 Y295 V871 F875 L948 F953	S287-F291 WeakPolarHBondContact O-CG 3.28Å; S287-F291 PolarHBondContact O-N 3.28Å; I288-F291 PolarHBondContact O-N 3.21Å; F291-I293 VanDerWaalsContact C-N 3.27Å; F291-I293 PolarHBondContact O-N 2.97Å; F291-V294 PolarHBondContact O-N 2.85Å; F291-V294 VanDerWaalsContact O-N 3.11Å; F291-Y295 WeakPolarHBondContact O-CD2 3.4Å; F291-Y295 PolarHBondContact O-N 2.85Å; F291-V871 HydrophobicContact CD2-CG1 4.13Å; F291-V871 HydrophobicContact CE2-CG1 4.32Å; F291-F875 HydrophobicContact CB-CD2 4.46Å; F291-F875 HydrophobicContact CB-CE2 3.8Å; F291-F875 HydrophobicContact CB-CZ 3.91Å; F291-F875 HydrophobicContact CD2-CD2 4.22Å; F291-F875 HydrophobicContact CD2-CE2 4Å; F291-F875 HydrophobicContact CG-CE2 4.44Å; F291-L948 HydrophobicContact CE2-CB 4.44Å; F291-L948 HydrophobicContact CE2-CD2 3.99Å; F291-L948 HydrophobicContact CZ-CB 4.22Å; F291-L948 WeakPolarHBondContact CZ-O 3.41Å; F291-F953 HydrophobicContact CB-CE2 3.87Å; F291-F953 HydrophobicContact CB-CZ 4.45Å; F291-F953 AromaticContact CD1-CD2 3.57Å; F291-F953 HydrophobicContact CD1-CD2 3.57Å; F291-F953 AromaticContact CD1-CE2 3.59Å; F291-F953 HydrophobicContact CD1-CE2 3.59Å; F291-F953 HydrophobicContact CD1-CG 4.05Å; F291-F953 HydrophobicContact CD1-CZ 4.1Å; F291-F953 AromaticContact CD2-CD2 3.78Å; F291-F953 HydrophobicContact CD2-CD2 3.78Å; F291-F953 AromaticContact CD2-CE2 3.92Å; F291-F953 HydrophobicContact CD2-CE2 3.92Å; F291-F953 HydrophobicContact CE1-CB 3.92Å; F291-F953 HydrophobicContact CE1-CD1 4.36Å; F291-F953 AromaticContact CE1-CD2 3.5Å; F291-F953 HydrophobicContact CE1-CD2 3.5Å; F291-F953 HydrophobicContact CE1-CE2 4.03Å; F291-F953 AromaticContact CE1-CG 3.66Å; F291-F953 HydrophobicContact CE1-CG 3.66Å; F291-F953 AromaticContact CE2-CD2 3.7Å; F291-F953 HydrophobicContact CE2-CD2 3.7Å; F291-F953 HydrophobicContact CE2-CE2 4.31Å; F291-F953 HydrophobicContact CE2-CG 4.46Å; F291-F953 AromaticContact CG-CD2 3.71Å; F291-F953 HydrophobicContact CG-CD2 3.71Å; F291-F953 AromaticContact CG-CE2 3.52Å; F291-F953 HydrophobicContact CG-CE2 3.52Å; F291-F953 HydrophobicContact CG-CZ 4.32Å; F291-F953 HydrophobicContact CZ-CB 3.8Å; F291-F953 AromaticContact CZ-CD2 3.56Å; F291-F953 HydrophobicContact CZ-CD2 3.56Å; F291-F953 HydrophobicContact CZ-CE2 4.36Å; F291-F953 AromaticContact CZ-CG 3.88Å; F291-F953 HydrophobicContact CZ-CG 3.88Å
292	L	89.9	Confident	89.9	Confident	5 Å²	5	42.4 Å²	42.4	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-58	-40.1	176.6	-172	67.8	0	0	0	112.1	I67 A68 I288 N289 A290 Y295 L296 I355	I67-L292 HydrophobicContact CB-CD2 4.02Å; I67-L292 HydrophobicContact CG2-CD2 3.84Å; A68-L292 HydrophobicContact CB-CD2 3.91Å; I288-L292 WeakPolarHBondContact O-CB 3.26Å; I288-L292 PolarHBondContact O-N 3.3Å; N289-L292 WeakPolarHBondContact O-CB 3.42Å; N289-L292 PolarHBondContact O-N 2.84Å; A290-L292 VanDerWaalsContact C-N 3.33Å; A290-L292 PolarHBondContact O-N 3.43Å; L292-Y295 PolarHBondContact O-N 2.85Å; L292-L296 WeakPolarHBondContact O-CB 3.11Å; L292-L296 PolarHBondContact O-N 3.15Å; L292-I355 HydrophobicContact CD1-CB 4.41Å; L292-I355 HydrophobicContact CD1-CD1 4.14Å; L292-I355 HydrophobicContact CD1-CG1 4.21Å; L292-I355 HydrophobicContact CD1-CG2 3.39Å
293	I	90.8	Very high	90.5	Very high	106 Å²	106	42.3 Å²	42.3	54%	0.544	23%	0.225	S	C	.	.	H	α-helix	trans	-63.5	-43.3	176.3	-68.2	167.3	0	0	0	111	N289 A290 F291 L296 F297	N289-I293 WeakPolarHBondContact O-CG1 3.18Å; N289-I293 PolarHBondContact O-N 3.08Å; A290-I293 PolarHBondContact O-N 3.42Å; F291-I293 VanDerWaalsContact C-N 3.27Å; F291-I293 PolarHBondContact O-N 2.97Å; I293-L296 PolarHBondContact O-N 3.11Å; I293-F297 PolarHBondContact O-N 2.81Å
294	V	92.1	Very high	91.2	Very high	60 Å²	60	43.4 Å²	43.4	36%	0.364	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-44.7	176.7	177.2	0	0	0	0	110.9	A290 F291 F297 I298 F953	A290-V294 PolarHBondContact O-N 2.98Å; F291-V294 PolarHBondContact O-N 2.85Å; F291-V294 VanDerWaalsContact O-N 3.11Å; V294-F297 WeakPolarHBondContact O-CB 2.9Å; V294-F297 PolarHBondContact O-N 2.97Å; V294-I298 HydrophobicContact CG1-CD1 4.17Å; V294-I298 WeakPolarHBondContact O-CG1 3.07Å; V294-I298 PolarHBondContact O-N 2.83Å; V294-F953 HydrophobicContact CB-CZ 4.27Å; V294-F953 HydrophobicContact CG1-CE1 4.1Å; V294-F953 HydrophobicContact CG1-CZ 4.06Å
295	Y	91.5	Very high	91.6	Very high	2 Å²	2	46 Å²	46	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-67.3	-35.8	178.9	-88.7	-109.6	0	0	0	112.7	F291 L292 F297 I298 L299 I354 F875 L879 F953	F291-Y295 WeakPolarHBondContact O-CD2 3.4Å; F291-Y295 PolarHBondContact O-N 2.85Å; L292-Y295 PolarHBondContact O-N 2.85Å; Y295-F297 VanDerWaalsContact C-N 3.31Å; Y295-F297 PolarHBondContact O-N 2.83Å; Y295-I298 PolarHBondContact O-N 2.75Å; Y295-L299 WeakPolarHBondContact O-CB 3.31Å; Y295-L299 PolarHBondContact O-N 2.82Å; Y295-I354 HydrophobicContact CD1-CD1 4.38Å; Y295-I354 HydrophobicContact CD1-CG1 3.91Å; Y295-I354 HydrophobicContact CE1-CG1 4.31Å; Y295-F875 AromaticContact CD1-CD1 3.66Å; Y295-F875 HydrophobicContact CD1-CD1 3.66Å; Y295-F875 HydrophobicContact CD1-CE1 4.1Å; Y295-F875 AromaticContact CD2-CD1 3.82Å; Y295-F875 HydrophobicContact CD2-CD1 3.82Å; Y295-F875 HydrophobicContact CD2-CE1 4Å; Y295-F875 HydrophobicContact CE1-CB 4.19Å; Y295-F875 AromaticContact CE1-CD1 3.61Å; Y295-F875 HydrophobicContact CE1-CD1 3.61Å; Y295-F875 HydrophobicContact CE1-CE1 4.49Å; Y295-F875 HydrophobicContact CE1-CG 4.33Å; Y295-F875 HydrophobicContact CE2-CB 4.22Å; Y295-F875 AromaticContact CE2-CD1 3.76Å; Y295-F875 HydrophobicContact CE2-CD1 3.76Å; Y295-F875 HydrophobicContact CE2-CE1 4.38Å; Y295-F875 HydrophobicContact CE2-CG 4.11Å; Y295-F875 AromaticContact CG-CD1 3.8Å; Y295-F875 HydrophobicContact CG-CD1 3.8Å; Y295-F875 AromaticContact CG-CE1 3.88Å; Y295-F875 HydrophobicContact CG-CE1 3.88Å; Y295-F875 AromaticContact CZ-CD1 3.68Å; Y295-L879 HydrophobicContact CE1-CB 4.25Å; Y295-L879 HydrophobicContact CE1-CD2 4.48Å; Y295-F953 HydrophobicContact CD2-CE2 4.23Å; Y295-F953 AromaticContact CD2-CZ 4Å; Y295-F953 HydrophobicContact CD2-CZ 4Å; Y295-F953 AromaticContact CE2-CE2 3.59Å; Y295-F953 HydrophobicContact CE2-CE2 3.59Å; Y295-F953 AromaticContact CE2-CZ 3.54Å; Y295-F953 HydrophobicContact CE2-CZ 3.54Å
296	L	91.4	Very high	92.1	Very high	58 Å²	58	43.8 Å²	43.8	30%	0.304	24%	0.239	S	C	.	.	H	α-helix	trans	-62.9	-39.6	171.6	-176.3	65.5	0	0	0	111.2	Y71 L292 I293 L299 L300 I355	Y71-L296 HydrophobicContact CD2-CD1 4.08Å; Y71-L296 HydrophobicContact CE2-CD1 3.9Å; L292-L296 WeakPolarHBondContact O-CB 3.11Å; L292-L296 PolarHBondContact O-N 3.15Å; I293-L296 PolarHBondContact O-N 3.11Å; L296-L299 HydrophobicContact CD1-CD2 4.34Å; L296-L299 WeakPolarHBondContact O-CB 3.37Å; L296-L299 PolarHBondContact O-N 3.41Å; L296-L300 WeakPolarHBondContact O-CG 3.38Å; L296-L300 PolarHBondContact O-N 2.69Å; L296-I355 HydrophobicContact CB-CD1 4.46Å; L296-I355 HydrophobicContact CD1-CD1 4.15Å
297	F	94	Very high	92.5	Very high	143 Å²	143	38.6 Å²	38.6	63%	0.627	22%	0.217	S	C	*	.	H	α-helix	trans	-64.2	-45.8	173.9	-175.1	-98.9	0	0	0	111.7	I293 V294 Y295 L299 L300 T301	I293-F297 PolarHBondContact O-N 2.81Å; V294-F297 WeakPolarHBondContact O-CB 2.9Å; V294-F297 PolarHBondContact O-N 2.97Å; Y295-F297 VanDerWaalsContact C-N 3.31Å; Y295-F297 PolarHBondContact O-N 2.83Å; F297-L299 VanDerWaalsContact C-N 3.29Å; F297-L299 PolarHBondContact O-N 2.78Å; F297-L300 PolarHBondContact O-N 3.39Å; F297-T301 PolarHBondContact O-N 2.68Å; F297-T301 PolarHBondContact O-OG1 2.79Å
298	I	92.9	Very high	92.8	Very high	42 Å²	42	41.2 Å²	41.2	22%	0.215	23%	0.232	C	C	.	.	H	α-helix	trans	-58.2	-41.9	175.3	-66.4	168.6	0	0	0	111.1	V294 Y295 T301 K302 I354	V294-I298 HydrophobicContact CG1-CD1 4.17Å; V294-I298 WeakPolarHBondContact O-CG1 3.07Å; V294-I298 PolarHBondContact O-N 2.83Å; Y295-I298 PolarHBondContact O-N 2.75Å; I298-T301 PolarHBondContact O-N 2.92Å; I298-K302 HydrophobicContact CG2-CD 4.2Å; I298-K302 WeakPolarHBondContact O-CG 3.5Å; I298-K302 PolarHBondContact O-N 3.38Å; I298-I354 HydrophobicContact CB-CD1 4.27Å; I298-I354 HydrophobicContact CG2-CD1 3.64Å
299	L	93.9	Very high	93.1	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.8	-51.2	175.5	174.4	62.4	0	0	0	111.5	Y71 Y295 L296 F297 T301 K302 A303 M348 F351 I354	Y71-L299 HydrophobicContact CE2-CD2 4.13Å; Y71-L299 WeakPolarHBondContact OH-CD2 3.47Å; Y295-L299 WeakPolarHBondContact O-CB 3.31Å; Y295-L299 PolarHBondContact O-N 2.82Å; L296-L299 HydrophobicContact CD1-CD2 4.34Å; L296-L299 WeakPolarHBondContact O-CB 3.37Å; L296-L299 PolarHBondContact O-N 3.41Å; F297-L299 VanDerWaalsContact C-N 3.29Å; F297-L299 PolarHBondContact O-N 2.78Å; L299-T301 VanDerWaalsContact C-N 3.31Å; L299-T301 PolarHBondContact O-N 3.41Å; L299-K302 PolarHBondContact O-N 3.31Å; L299-A303 PolarHBondContact O-N 3.13Å; L299-M348 HydrophobicContact CD2-CE 4.45Å; L299-F351 HydrophobicContact CD1-CB 3.41Å; L299-F351 VanDerWaalsContact CD1-CB 3.41Å; L299-F351 WeakPolarHBondContact CD1-O 3.44Å; L299-I354 HydrophobicContact CB-CG2 3.91Å; L299-I354 HydrophobicContact CD1-CG2 3.99Å; L299-I354 HydrophobicContact CD2-CG2 4.39Å; L299-I354 HydrophobicContact CG-CG2 4.31Å
300	L	94.3	Very high	93.4	Very high	71 Å²	71	42.1 Å²	42.1	37%	0.372	24%	0.236	S	C	.	.	H	α-helix	trans	-61.2	-41.3	179.7	-70.9	172.8	0	0	0	111.2	L296 F297 A303 A304 F344 M348	L296-L300 WeakPolarHBondContact O-CG 3.38Å; L296-L300 PolarHBondContact O-N 2.69Å; F297-L300 PolarHBondContact O-N 3.39Å; L300-A303 PolarHBondContact O-N 3.26Å; L300-A304 VanDerWaalsContact O-CB 3.22Å; L300-A304 WeakPolarHBondContact O-CB 3.4Å; L300-A304 PolarHBondContact O-N 3.25Å; L300-F344 HydrophobicContact CD2-CZ 4.11Å; L300-M348 HydrophobicContact CD2-SD 4.03Å
301	T	95.5	Very high	93.5	Very high	63 Å²	63	41.9 Å²	41.9	39%	0.387	23%	0.225	S	C	.	.	H	α-helix	trans	-61	-46.6	174.8	-54.3	0	0	0	0	111.5	F297 I298 L299 A304 V305	F297-T301 PolarHBondContact O-N 2.68Å; F297-T301 PolarHBondContact O-OG1 2.79Å; I298-T301 PolarHBondContact O-N 2.92Å; L299-T301 VanDerWaalsContact C-N 3.31Å; L299-T301 PolarHBondContact O-N 3.41Å; T301-A304 PolarHBondContact O-N 2.84Å; T301-V305 HydrophobicContact CG2-CG2 4.28Å; T301-V305 WeakPolarHBondContact O-CB 3.3Å; T301-V305 VanDerWaalsContact O-CG2 3.24Å; T301-V305 WeakPolarHBondContact O-CG2 3.36Å; T301-V305 PolarHBondContact O-N 2.89Å
302	K	94.1	Very high	93.5	Very high	20 Å²	20	45.7 Å²	45.7	9%	0.087	25%	0.249	C	C	.	.	H	α-helix	trans	-61.2	-46.6	178.2	-75.9	176.8	176.8	-69.8	0	112	I298 L299 V305 C306 F351 I354 F886	I298-K302 HydrophobicContact CG2-CD 4.2Å; I298-K302 WeakPolarHBondContact O-CG 3.5Å; I298-K302 PolarHBondContact O-N 3.38Å; L299-K302 PolarHBondContact O-N 3.31Å; K302-V305 PolarHBondContact O-N 3.38Å; K302-C306 WeakPolarHBondContact O-CB 3.17Å; K302-C306 PolarHBondContact O-N 3.33Å; K302-C306 PolarHBondContact O-SG 3.47Å; K302-C306 VanDerWaalsContact O-SG 3.41Å; K302-F351 HydrophobicContact CB-CD2 4.09Å; K302-F351 HydrophobicContact CB-CE2 4.28Å; K302-I354 HydrophobicContact CD-CD1 4.4Å; K302-F886 HydrophobicContact CB-CD2 3.95Å; K302-F886 HydrophobicContact CB-CE2 3.97Å; K302-F886 HydrophobicContact CD-CD2 4.16Å; K302-F886 HydrophobicContact CD-CG 4.28Å; K302-F886 HydrophobicContact CG-CD2 3.87Å; K302-F886 HydrophobicContact CG-CE2 3.86Å; K302-F886 HydrophobicContact CG-CG 4.38Å; K302-F886 HydrophobicContact CG-CZ 4.37Å; K302-F886 VanDerWaalsContact NZ-CD1 3.29Å
303	A	95	Very high	93.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-46	177.4	0	0	0	0	0	111.4	L299 L300 V305 C306 T307 F344 F347 M348	L299-A303 PolarHBondContact O-N 3.13Å; L300-A303 PolarHBondContact O-N 3.26Å; A303-V305 PolarHBondContact O-N 2.94Å; A303-C306 PolarHBondContact O-N 3.34Å; A303-T307 WeakPolarHBondContact O-CB 3.38Å; A303-T307 PolarHBondContact O-N 3.07Å; A303-T307 PolarHBondContact O-OG1 3.12Å; A303-F344 HydrophobicContact CB-CD2 4.07Å; A303-F344 HydrophobicContact CB-CE2 3.7Å; A303-F344 HydrophobicContact CB-CZ 4.33Å; A303-F347 HydrophobicContact CB-CB 4.16Å; A303-M348 HydrophobicContact CB-CG 3.9Å
304	A	95.4	Very high	93.4	Very high	41 Å²	41	47 Å²	47	34%	0.339	25%	0.248	S	C	.	.	H	α-helix	trans	-62.6	-43.4	178.8	0	0	0	0	0	112.5	L300 T301 T308 F344	L300-A304 VanDerWaalsContact O-CB 3.22Å; L300-A304 WeakPolarHBondContact O-CB 3.4Å; L300-A304 PolarHBondContact O-N 3.25Å; T301-A304 PolarHBondContact O-N 2.84Å; A304-T308 VanDerWaalsContact O-CB 3.28Å; A304-T308 WeakPolarHBondContact O-CB 3.35Å; A304-T308 PolarHBondContact O-N 3.33Å; A304-T308 PolarHBondContact O-OG1 3.3Å; A304-F344 HydrophobicContact CB-CE2 4.42Å
305	V	95.9	Very high	93.2	Very high	56 Å²	56	48.8 Å²	48.8	34%	0.339	26%	0.263	S	S	.	.	H	α-helix	trans	-63.2	-49.1	177	169.1	0	0	0	0	110.3	T301 K302 A303 T307 T308 L309	T301-V305 HydrophobicContact CG2-CG2 4.28Å; T301-V305 WeakPolarHBondContact O-CB 3.3Å; T301-V305 VanDerWaalsContact O-CG2 3.24Å; T301-V305 WeakPolarHBondContact O-CG2 3.36Å; T301-V305 PolarHBondContact O-N 2.89Å; K302-V305 PolarHBondContact O-N 3.38Å; A303-V305 PolarHBondContact O-N 2.94Å; V305-T307 PolarHBondContact O-N 3.18Å; V305-T308 PolarHBondContact O-N 2.78Å; V305-L309 HydrophobicContact CG1-CD1 3.66Å; V305-L309 HydrophobicContact CG1-CG 4.25Å; V305-L309 VanDerWaalsContact O-CB 3.32Å; V305-L309 WeakPolarHBondContact O-CB 3.31Å; V305-L309 VanDerWaalsContact O-CG 3.24Å; V305-L309 WeakPolarHBondContact O-CG 3.16Å; V305-L309 PolarHBondContact O-N 3.36Å
306	C	95.4	Very high	93	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-44.1	179.2	-73.7	0	0	0	0	112.5	K302 A303 K310 F347 F351 F886 F894	K302-C306 WeakPolarHBondContact O-CB 3.17Å; K302-C306 PolarHBondContact O-N 3.33Å; K302-C306 PolarHBondContact O-SG 3.47Å; K302-C306 VanDerWaalsContact O-SG 3.41Å; A303-C306 PolarHBondContact O-N 3.34Å; C306-K310 VanDerWaalsContact O-CB 3.27Å; C306-K310 WeakPolarHBondContact O-CB 3.32Å; C306-K310 PolarHBondContact O-N 3.04Å; C306-F347 HydrophobicContact CB-CD1 3.89Å; C306-F347 HydrophobicContact CB-CD2 4.07Å; C306-F347 HydrophobicContact CB-CE1 3.75Å; C306-F347 HydrophobicContact CB-CE2 3.93Å; C306-F347 HydrophobicContact CB-CG 4.05Å; C306-F347 HydrophobicContact CB-CZ 3.78Å; C306-F351 HydrophobicContact CB-CE2 4.45Å; C306-F886 WeakPolarHBondContact SG-CE2 3.32Å; C306-F894 HydrophobicContact CB-CD1 4.37Å
307	T	95.1	Very high	92.4	Very high	4 Å²	4	53.5 Å²	53.5	3%	0.025	30%	0.297	C	S	.	.	H	α-helix	trans	-63.9	-46.5	177	-58.9	0	0	0	0	111.5	A303 V305 K310 Y311 M340 F344 F347	A303-T307 WeakPolarHBondContact O-CB 3.38Å; A303-T307 PolarHBondContact O-N 3.07Å; A303-T307 PolarHBondContact O-OG1 3.12Å; V305-T307 PolarHBondContact O-N 3.18Å; T307-K310 WeakPolarHBondContact O-CB 3.47Å; T307-K310 PolarHBondContact O-N 3.38Å; T307-Y311 HydrophobicContact CG2-CD2 3.93Å; T307-Y311 HydrophobicContact CG2-CE2 3.87Å; T307-Y311 VanDerWaalsContact O-CD2 3.27Å; T307-Y311 WeakPolarHBondContact O-CD2 3.26Å; T307-Y311 PolarHBondContact O-N 3.24Å; T307-Y311 VanDerWaalsContact O-N 3.14Å; T307-M340 HydrophobicContact CG2-CE 4.47Å; T307-M340 HydrophobicContact CG2-CG 4.12Å; T307-F344 HydrophobicContact CG2-CB 4.28Å; T307-F344 WeakPolarHBondContact OG1-CA 3.27Å; T307-F347 WeakPolarHBondContact OG1-CD2 3.45Å
308	T	94.4	Very high	91.7	Very high	77 Å²	77	55 Å²	55	47%	0.472	30%	0.3	S	S	.	.	H	α-helix	trans	-63	-47.9	-179.5	-54.1	0	0	0	0	110.7	A304 V305 K310 Y311 V312	A304-T308 VanDerWaalsContact O-CB 3.28Å; A304-T308 WeakPolarHBondContact O-CB 3.35Å; A304-T308 PolarHBondContact O-N 3.33Å; A304-T308 PolarHBondContact O-OG1 3.3Å; V305-T308 PolarHBondContact O-N 2.78Å; T308-K310 VanDerWaalsContact C-N 3.32Å; T308-K310 PolarHBondContact O-N 3.43Å; T308-Y311 PolarHBondContact O-N 3.49Å; T308-V312 HydrophobicContact CG2-CG2 4.49Å; T308-V312 VanDerWaalsContact O-CG2 3.31Å; T308-V312 WeakPolarHBondContact O-CG2 3.37Å; T308-V312 PolarHBondContact O-N 3.07Å
309	L	95.1	Very high	91.3	Very high	63 Å²	63	54.6 Å²	54.6	33%	0.33	30%	0.297	S	S	.	.	H	α-helix	trans	-64.4	-35.7	178.3	-67.9	178.5	0	0	0	112.3	V305 V312 W313 F890 F894	V305-L309 HydrophobicContact CG1-CD1 3.66Å; V305-L309 HydrophobicContact CG1-CG 4.25Å; V305-L309 VanDerWaalsContact O-CB 3.32Å; V305-L309 WeakPolarHBondContact O-CB 3.31Å; V305-L309 VanDerWaalsContact O-CG 3.24Å; V305-L309 WeakPolarHBondContact O-CG 3.16Å; V305-L309 PolarHBondContact O-N 3.36Å; L309-V312 PolarHBondContact O-N 3.17Å; L309-W313 WeakPolarHBondContact O-CB 3.35Å; L309-W313 PolarHBondContact O-N 3.21Å; L309-F890 HydrophobicContact CD1-CE1 3.72Å; L309-F890 HydrophobicContact CD1-CZ 4.25Å; L309-F894 HydrophobicContact CB-CE1 4.17Å; L309-F894 HydrophobicContact CB-CE2 3.95Å; L309-F894 HydrophobicContact CB-CZ 3.72Å; L309-F894 HydrophobicContact CD1-CE1 4.46Å; L309-F894 HydrophobicContact CD1-CZ 4.08Å
310	K	93.4	Very high	90.6	Very high	10 Å²	10	57.3 Å²	57.3	4%	0.043	31%	0.312	C	S	.	.	H	α-helix	trans	-55.7	-53.3	172.4	-176	-177.5	-172	-176.3	0	111.3	C306 T307 T308 V312 W313 Q314 D343 F347 F894	C306-K310 VanDerWaalsContact O-CB 3.27Å; C306-K310 WeakPolarHBondContact O-CB 3.32Å; C306-K310 PolarHBondContact O-N 3.04Å; T307-K310 WeakPolarHBondContact O-CB 3.47Å; T307-K310 PolarHBondContact O-N 3.38Å; T308-K310 VanDerWaalsContact C-N 3.32Å; T308-K310 PolarHBondContact O-N 3.43Å; K310-V312 VanDerWaalsContact C-N 3.35Å; K310-V312 PolarHBondContact O-N 2.74Å; K310-W313 PolarHBondContact O-N 3.34Å; K310-Q314 HydrophobicContact CG-CG 4.43Å; K310-Q314 WeakPolarHBondContact O-CB 3.41Å; K310-Q314 VanDerWaalsContact O-CG 3.3Å; K310-Q314 WeakPolarHBondContact O-CG 3.27Å; K310-Q314 PolarHBondContact O-N 3.27Å; K310-D343 IonicContact NZ-OD1 2.83Å; K310-D343 PolarHBondContact NZ-OD1 2.69Å; K310-D343 IonicContact NZ-OD2 2.87Å; K310-D343 PolarHBondContact NZ-OD2 2.88Å; K310-F347 HydrophobicContact CD-CE2 4.23Å; K310-F894 HydrophobicContact CB-CB 3.59Å; K310-F894 HydrophobicContact CB-CG 4.17Å; K310-F894 HydrophobicContact CD-CB 4.31Å; K310-F894 WeakPolarHBondContact CD-O 3.41Å; K310-F894 WeakPolarHBondContact CE-O 3.35Å; K310-F894 HydrophobicContact CG-CB 3.79Å
311	Y	91.8	Very high	90	Very high	45 Å²	45	56.4 Å²	56.4	18%	0.176	31%	0.306	C	S	.	.	H	α-helix	trans	-69.4	-31.7	-177.6	-80.1	-70.3	0	0	0	113.5	T307 T308 S315 K339 M340 D343	T307-Y311 HydrophobicContact CG2-CD2 3.93Å; T307-Y311 HydrophobicContact CG2-CE2 3.87Å; T307-Y311 VanDerWaalsContact O-CD2 3.27Å; T307-Y311 WeakPolarHBondContact O-CD2 3.26Å; T307-Y311 PolarHBondContact O-N 3.24Å; T307-Y311 VanDerWaalsContact O-N 3.14Å; T308-Y311 PolarHBondContact O-N 3.49Å; Y311-S315 PolarHBondContact O-N 2.88Å; Y311-S315 VanDerWaalsContact O-N 3.1Å; Y311-K339 VanDerWaalsContact OH-C 3.27Å; Y311-K339 PolarHBondContact OH-O 3.5Å; Y311-M340 HydrophobicContact CD2-CB 4.47Å; Y311-M340 HydrophobicContact CD2-CG 4.02Å; Y311-M340 HydrophobicContact CE2-CB 3.62Å; Y311-M340 HydrophobicContact CE2-CG 3.53Å; Y311-M340 WeakPolarHBondContact OH-CA 3.38Å; Y311-M340 PolarHBondContact OH-N 2.88Å; Y311-D343 PolarHBondContact OH-OD2 3.42Å
312	V	92.4	Very high	89.5	Confident	94 Å²	94	54.1 Å²	54.1	57%	0.57	29%	0.292	S	S	*	.	H	α-helix	trans	-66.7	-43.7	171.9	172.4	0	0	0	0	110.5	T308 L309 K310 S315	T308-V312 HydrophobicContact CG2-CG2 4.49Å; T308-V312 VanDerWaalsContact O-CG2 3.31Å; T308-V312 WeakPolarHBondContact O-CG2 3.37Å; T308-V312 PolarHBondContact O-N 3.07Å; L309-V312 PolarHBondContact O-N 3.17Å; K310-V312 VanDerWaalsContact C-N 3.35Å; K310-V312 PolarHBondContact O-N 2.74Å; V312-S315 WeakPolarHBondContact O-CB 3.44Å; V312-S315 PolarHBondContact O-N 3.28Å
313	W	90.6	Very high	89.1	Confident	103 Å²	103	63.7 Å²	63.7	39%	0.39	33%	0.328	S	S	.	.	H	α-helix	trans	-69.3	-35.3	179	-176	81.8	0	0	0	113	L309 K310 S315 N319	L309-W313 WeakPolarHBondContact O-CB 3.35Å; L309-W313 PolarHBondContact O-N 3.21Å; K310-W313 PolarHBondContact O-N 3.34Å; W313-S315 VanDerWaalsContact C-N 3.26Å; W313-S315 PolarHBondContact O-N 3.2Å; W313-N319 VanDerWaalsContact CH2-CG 3.4Å; W313-N319 WeakPolarHBondContact CH2-OD1 3.44Å; W313-N319 VanDerWaalsContact CZ2-CG 3.42Å; W313-N319 WeakPolarHBondContact CZ2-ND2 3.33Å; W313-N319 WeakPolarHBondContact CZ2-OD1 3.47Å; W313-N319 PolarHBondContact NE1-ND2 3.08Å; W313-N319 PolarHBondContact O-ND2 3.2Å; W313-N319 VanDerWaalsContact O-ND2 3.08Å
314	Q	88.1	Confident	88.7	Confident	36 Å²	36	71.1 Å²	71.1	17%	0.168	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-4.8	172.4	-70.3	-177.9	-29.2	0	0	113.4	K310 T316 D320	K310-Q314 HydrophobicContact CG-CG 4.43Å; K310-Q314 WeakPolarHBondContact O-CB 3.41Å; K310-Q314 VanDerWaalsContact O-CG 3.3Å; K310-Q314 WeakPolarHBondContact O-CG 3.27Å; K310-Q314 PolarHBondContact O-N 3.27Å; Q314-T316 PolarHBondContact O-N 2.89Å; Q314-T316 VanDerWaalsContact O-N 3.1Å; Q314-D320 HydrophobicContact CB-CB 4.18Å; Q314-D320 VanDerWaalsContact CD-OD1 3.29Å; Q314-D320 HydrophobicContact CG-CB 4.48Å; Q314-D320 PolarHBondContact NE2-OD1 3.47Å
315	S	87.1	Confident	88.2	Confident	97 Å²	97	73 Å²	73	68%	0.678	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-21.1	171.9	-173	0	0	0	0	111.7	Y311 V312 W313	Y311-S315 PolarHBondContact O-N 2.88Å; Y311-S315 VanDerWaalsContact O-N 3.1Å; V312-S315 WeakPolarHBondContact O-CB 3.44Å; V312-S315 PolarHBondContact O-N 3.28Å; W313-S315 VanDerWaalsContact C-N 3.26Å; W313-S315 PolarHBondContact O-N 3.2Å
316	T	87.1	Confident	87.7	Confident	49 Å²	49	77.7 Å²	77.7	30%	0.301	38%	0.38	S	S	.	.	S	Bend	trans	-84.9	119.9	174.6	-52	0	0	0	0	110.4	Q314 Y318 N319 D320	Q314-T316 PolarHBondContact O-N 2.89Å; Q314-T316 VanDerWaalsContact O-N 3.1Å; T316-Y318 HydrophobicContact CG2-CD1 3.55Å; T316-Y318 HydrophobicContact CG2-CD2 4.04Å; T316-Y318 HydrophobicContact CG2-CE1 3.06Å; T316-Y318 HydrophobicContact CG2-CE2 3.59Å; T316-Y318 HydrophobicContact CG2-CG 4.03Å; T316-Y318 WeakPolarHBondContact CG2-OH 3.22Å; T316-Y318 PolarHBondContact O-N 3.46Å; T316-N319 WeakPolarHBondContact O-CB 3.28Å; T316-N319 PolarHBondContact O-N 2.78Å; T316-D320 PolarHBondContact O-N 2.98Å
317	P	78.5	Confident	87.2	Confident	109 Å²	109	80.1 Å²	80.1	71%	0.708	39%	0.39	S	S	*	.	H	α-helix	trans	-65.6	-32.7	-164.9	23.3	-33.7	0	0	0	114.2	N319	P317-N319 PolarHBondContact O-N 2.87Å
318	Y	80.9	Confident	86.8	Confident	176 Å²	176	84.8 Å²	84.8	69%	0.69	42%	0.419	S	S	*	.	H	α-helix	trans	-71.5	-9.8	176.5	56.9	-104.6	0	0	0	113.9	T316	T316-Y318 HydrophobicContact CG2-CD1 3.55Å; T316-Y318 HydrophobicContact CG2-CD2 4.04Å; T316-Y318 HydrophobicContact CG2-CE1 3.06Å; T316-Y318 HydrophobicContact CG2-CE2 3.59Å; T316-Y318 HydrophobicContact CG2-CG 4.03Å; T316-Y318 WeakPolarHBondContact CG2-OH 3.22Å; T316-Y318 PolarHBondContact O-N 3.46Å
319	N	83.8	Confident	86.2	Confident	32 Å²	32	86.2 Å²	86.2	17%	0.171	42%	0.42	C	S	.	.	H	α-helix	trans	-104.5	-22.1	-172.6	-142.8	21.8	0	0	0	112.5	W313 T316 P317	W313-N319 VanDerWaalsContact CH2-CG 3.4Å; W313-N319 WeakPolarHBondContact CH2-OD1 3.44Å; W313-N319 VanDerWaalsContact CZ2-CG 3.42Å; W313-N319 WeakPolarHBondContact CZ2-ND2 3.33Å; W313-N319 WeakPolarHBondContact CZ2-OD1 3.47Å; W313-N319 PolarHBondContact NE1-ND2 3.08Å; W313-N319 PolarHBondContact O-ND2 3.2Å; W313-N319 VanDerWaalsContact O-ND2 3.08Å; T316-N319 WeakPolarHBondContact O-CB 3.28Å; T316-N319 PolarHBondContact O-N 2.78Å; P317-N319 PolarHBondContact O-N 2.87Å
320	D	78.4	Confident	85.6	Confident	58 Å²	58	90.8 Å²	90.8	31%	0.31	44%	0.437	S	S	.	.	H	α-helix	trans	-76.8	-37.8	176.1	-172.9	45.9	0	0	0	112.4	Q314 T316 K327	Q314-D320 HydrophobicContact CB-CB 4.18Å; Q314-D320 VanDerWaalsContact CD-OD1 3.29Å; Q314-D320 HydrophobicContact CG-CB 4.48Å; Q314-D320 PolarHBondContact NE2-OD1 3.47Å; T316-D320 PolarHBondContact O-N 2.98Å; D320-K327 WeakPolarHBondContact O-CE 3.37Å; D320-K327 PolarHBondContact O-NZ 2.9Å; D320-K327 IonicContact OD1-NZ 3.99Å; D320-K327 PolarHBondContact OD1-NZ 3.32Å; D320-K327 IonicContact OD2-NZ 3.41Å; D320-K327 PolarHBondContact OD2-NZ 3.18Å
321	E	82	Confident	85	Confident	52 Å²	52	93.7 Å²	93.7	24%	0.243	45%	0.451	C	S	.	.	S	Bend	trans	-138.7	77.8	173.4	-168.1	176.6	-173.1	0	0	110.6	Q326 K327 R332	E321-Q326 VanDerWaalsContact OE1-CA 3.25Å; E321-Q326 WeakPolarHBondContact OE1-CA 3.44Å; E321-K327 HydrophobicContact CG-CG 4.31Å; E321-K327 PolarHBondContact OE1-N 2.92Å; E321-R332 IonicContact OE1-CZ 2.83Å; E321-R332 IonicContact OE1-NH2 3.63Å; E321-R332 PolarHBondContact OE1-NH2 3.38Å; E321-R332 IonicContact OE2-CZ 2.68Å; E321-R332 IonicContact OE2-NE 3.62Å; E321-R332 IonicContact OE2-NH2 3.97Å; E321-R332 PolarHBondContact OE2-NH2 2.93Å
322	P	84.4	Confident	84.4	Confident	15 Å²	15	98.1 Å²	98.1	10%	0.097	47%	0.468	C	S	.	.			trans	-58.5	155	171.1	-20.3	29.7	0	0	0	112.5	Y324 N325	P322-Y324 HydrophobicContact CB-CD1 3.88Å; P322-Y324 HydrophobicContact CB-CE1 3.35Å; P322-Y324 HydrophobicContact CB-CE2 4.27Å; P322-Y324 HydrophobicContact CG-CE1 4.21Å; P322-Y324 PolarHBondContact O-N 2.87Å; P322-N325 WeakPolarHBondContact CB-OD1 3.3Å; P322-N325 WeakPolarHBondContact CD-OD1 3.07Å; P322-N325 WeakPolarHBondContact CG-OD1 3.43Å; P322-N325 PolarHBondContact O-N 3.04Å; P322-N325 PolarHBondContact O-OD1 3.3Å; P322-N325 VanDerWaalsContact O-OD1 3.07Å
323	W	86.5	Confident	84	Confident	220 Å²	220	100.3 Å²	100.3	83%	0.833	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.2	-172.4	67	-93.3	0	0	0	115
324	Y	86	Confident	83.7	Confident	156 Å²	156	98 Å²	98	61%	0.612	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-7.9	-174.9	57.2	-98.2	0	0	0	114.1	P322	P322-Y324 HydrophobicContact CB-CD1 3.88Å; P322-Y324 HydrophobicContact CB-CE1 3.35Å; P322-Y324 HydrophobicContact CB-CE2 4.27Å; P322-Y324 HydrophobicContact CG-CE1 4.21Å; P322-Y324 PolarHBondContact O-N 2.87Å
325	N	85.8	Confident	83.7	Confident	82 Å²	82	102.5 Å²	102.5	44%	0.439	49%	0.493	S	S	.	.	S	Bend	trans	-142.9	65	-177.2	63.2	-26	0	0	0	112.4	P322 K327	P322-N325 WeakPolarHBondContact CB-OD1 3.3Å; P322-N325 WeakPolarHBondContact CD-OD1 3.07Å; P322-N325 WeakPolarHBondContact CG-OD1 3.43Å; P322-N325 PolarHBondContact O-N 3.04Å; P322-N325 PolarHBondContact O-OD1 3.3Å; P322-N325 VanDerWaalsContact O-OD1 3.07Å; N325-K327 PolarHBondContact O-N 2.91Å
326	Q	84.8	Confident	83.6	Confident	153 Å²	153	105.9 Å²	105.9	72%	0.715	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-58.7	135.8	177.6	-65.7	178.8	4.6	0	0	112	E321	E321-Q326 VanDerWaalsContact OE1-CA 3.25Å; E321-Q326 WeakPolarHBondContact OE1-CA 3.44Å
327	K	85.2	Confident	83.6	Confident	51 Å²	51	109.2 Å²	109.2	22%	0.222	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-71.7	144.4	178.3	-71	178.9	-179	173	0	109.6	D320 E321 N325	D320-K327 WeakPolarHBondContact O-CE 3.37Å; D320-K327 PolarHBondContact O-NZ 2.9Å; D320-K327 IonicContact OD1-NZ 3.99Å; D320-K327 PolarHBondContact OD1-NZ 3.32Å; D320-K327 IonicContact OD2-NZ 3.41Å; D320-K327 PolarHBondContact OD2-NZ 3.18Å; E321-K327 HydrophobicContact CG-CG 4.31Å; E321-K327 PolarHBondContact OE1-N 2.92Å; N325-K327 PolarHBondContact O-N 2.91Å
328	T	86.4	Confident	84	Confident	102 Å²	102	108.4 Å²	108.4	63%	0.626	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-65.3	145.9	174	-57.4	0	0	0	0	109.6	K330 E331 R332	T328-K330 HydrophobicContact CG2-CB 4.42Å; T328-K330 PolarHBondContact O-N 3.2Å; T328-K330 VanDerWaalsContact O-N 3.13Å; T328-E331 WeakPolarHBondContact O-CA 3.48Å; T328-E331 WeakPolarHBondContact O-CB 3.48Å; T328-E331 PolarHBondContact O-N 3.04Å; T328-R332 PolarHBondContact O-N 3.38Å; T328-R332 VanDerWaalsContact O-N 3.14Å
329	Q	82.3	Confident	84.4	Confident	108 Å²	108	102.5 Å²	102.5	51%	0.505	48%	0.483	S	S	.	.	H	α-helix	trans	-50	-42.7	-179.4	-172.8	64.9	15.4	0	0	112.9	E331 R332 E333	Q329-E331 VanDerWaalsContact C-N 3.31Å; Q329-E331 PolarHBondContact O-N 2.69Å; Q329-R332 PolarHBondContact O-N 3.3Å; Q329-E333 WeakPolarHBondContact CG-OE1 3.46Å; Q329-E333 PolarHBondContact NE2-OE1 3.47Å; Q329-E333 WeakPolarHBondContact O-CG 3.49Å; Q329-E333 PolarHBondContact O-N 2.64Å; Q329-E333 VanDerWaalsContact O-N 3.11Å
330	K	81.7	Confident	84.7	Confident	158 Å²	158	105.2 Å²	105.2	69%	0.687	50%	0.496	S	S	*	.	H	α-helix	trans	-58.4	-37.6	175.2	-174	-176.3	177.2	-170.8	0	113.3	T328 T334	T328-K330 HydrophobicContact CG2-CB 4.42Å; T328-K330 PolarHBondContact O-N 3.2Å; T328-K330 VanDerWaalsContact O-N 3.13Å; K330-T334 PolarHBondContact O-N 2.82Å; K330-T334 PolarHBondContact O-OG1 3.48Å
331	E	81.3	Confident	85.3	Confident	71 Å²	71	108.2 Å²	108.2	33%	0.332	51%	0.506	S	S	.	.	H	α-helix	trans	-74	-36.7	179.1	-172	174.9	-162.9	0	0	111.3	T328 Q329 E333 T334 K339	T328-E331 WeakPolarHBondContact O-CA 3.48Å; T328-E331 WeakPolarHBondContact O-CB 3.48Å; T328-E331 PolarHBondContact O-N 3.04Å; Q329-E331 VanDerWaalsContact C-N 3.31Å; Q329-E331 PolarHBondContact O-N 2.69Å; E331-E333 VanDerWaalsContact C-N 3.31Å; E331-E333 PolarHBondContact O-N 2.72Å; E331-T334 WeakPolarHBondContact O-CB 3.5Å; E331-T334 PolarHBondContact O-N 3.46Å; E331-K339 WeakPolarHBondContact OE1-CE 3.44Å; E331-K339 IonicContact OE1-NZ 3.89Å; E331-K339 PolarHBondContact OE1-NZ 3.33Å
332	R	79.2	Confident	85.7	Confident	139 Å²	139	107.5 Å²	107.5	53%	0.525	51%	0.505	S	S	.	.	H	α-helix	trans	-66	-33.4	176.8	-167.3	-179.7	-78.5	166.3	-4.1	112.4	E321 T328 Q329 T334	E321-R332 IonicContact OE1-CZ 2.83Å; E321-R332 IonicContact OE1-NH2 3.63Å; E321-R332 PolarHBondContact OE1-NH2 3.38Å; E321-R332 IonicContact OE2-CZ 2.68Å; E321-R332 IonicContact OE2-NE 3.62Å; E321-R332 IonicContact OE2-NH2 3.97Å; E321-R332 PolarHBondContact OE2-NH2 2.93Å; T328-R332 PolarHBondContact O-N 3.38Å; T328-R332 VanDerWaalsContact O-N 3.14Å; Q329-R332 PolarHBondContact O-N 3.3Å; R332-T334 VanDerWaalsContact C-N 3.33Å
333	E	84.3	Confident	86	Confident	140 Å²	140	106.9 Å²	106.9	65%	0.654	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-7.6	177.8	-68.2	171.8	-172.9	0	0	113.6	Q329 E331	Q329-E333 WeakPolarHBondContact CG-OE1 3.46Å; Q329-E333 PolarHBondContact NE2-OE1 3.47Å; Q329-E333 WeakPolarHBondContact O-CG 3.49Å; Q329-E333 PolarHBondContact O-N 2.64Å; Q329-E333 VanDerWaalsContact O-N 3.11Å; E331-E333 VanDerWaalsContact C-N 3.31Å; E331-E333 PolarHBondContact O-N 2.72Å
334	T	84.6	Confident	86.4	Confident	53 Å²	53	98.9 Å²	98.9	33%	0.325	47%	0.473	S	S	.	.	S	Bend	trans	-73.3	137.1	-179.5	-61.1	0	0	0	0	111.1	K330 E331 R332 K336 L338 K339	K330-T334 PolarHBondContact O-N 2.82Å; K330-T334 PolarHBondContact O-OG1 3.48Å; E331-T334 WeakPolarHBondContact O-CB 3.5Å; E331-T334 PolarHBondContact O-N 3.46Å; R332-T334 VanDerWaalsContact C-N 3.33Å; T334-K336 PolarHBondContact O-N 2.87Å; T334-L338 HydrophobicContact CG2-CB 4.47Å; T334-L338 HydrophobicContact CG2-CD2 4.21Å; T334-L338 HydrophobicContact CG2-CG 4.47Å; T334-K339 HydrophobicContact CG2-CB 4.4Å
335	L	87.4	Confident	86.6	Confident	132 Å²	132	92.7 Å²	92.7	69%	0.691	45%	0.45	S	S	*	.			trans	-54.6	128.4	175.6	-70.4	168.8	0	0	0	111.4	V337 L338 K339	L335-V337 VanDerWaalsContact C-N 3.28Å; L335-V337 PolarHBondContact O-N 2.97Å; L335-L338 HydrophobicContact CB-CB 3.93Å; L335-L338 WeakPolarHBondContact O-CA 3.44Å; L335-L338 WeakPolarHBondContact O-CB 3.48Å; L335-L338 PolarHBondContact O-N 3.41Å; L335-K339 PolarHBondContact O-N 3.25Å
336	K	84.4	Confident	86.9	Confident	167 Å²	167	89 Å²	89	73%	0.726	43%	0.431	S	S	*	.	H	α-helix	trans	-55.3	-39.7	-177.7	-171.7	172.1	-176.7	173.4	0	113.3	T334 K339 M340	T334-K336 PolarHBondContact O-N 2.87Å; K336-K339 PolarHBondContact O-N 2.97Å; K336-M340 PolarHBondContact O-N 3.28Å
337	V	87.5	Confident	87.3	Confident	119 Å²	119	81.7 Å²	81.7	72%	0.721	40%	0.397	S	S	*	.	H	α-helix	trans	-68.6	-39.7	177.1	179.8	0	0	0	0	111.5	L335 M340 F341	L335-V337 VanDerWaalsContact C-N 3.28Å; L335-V337 PolarHBondContact O-N 2.97Å; V337-M340 WeakPolarHBondContact O-CB 3.39Å; V337-M340 PolarHBondContact O-N 3.46Å; V337-F341 PolarHBondContact O-N 2.92Å
338	L	88.1	Confident	87.6	Confident	93 Å²	93	80.6 Å²	80.6	49%	0.487	39%	0.392	S	S	.	.	H	α-helix	trans	-64.9	-43.1	176.2	-177.7	62.3	0	0	0	110.7	T334 L335 M340 F341 T342	T334-L338 HydrophobicContact CG2-CB 4.47Å; T334-L338 HydrophobicContact CG2-CD2 4.21Å; T334-L338 HydrophobicContact CG2-CG 4.47Å; L335-L338 HydrophobicContact CB-CB 3.93Å; L335-L338 WeakPolarHBondContact O-CA 3.44Å; L335-L338 WeakPolarHBondContact O-CB 3.48Å; L335-L338 PolarHBondContact O-N 3.41Å; L338-M340 VanDerWaalsContact C-N 3.32Å; L338-M340 PolarHBondContact O-N 3.06Å; L338-F341 PolarHBondContact O-N 3.15Å; L338-T342 PolarHBondContact O-N 3.42Å; L338-T342 PolarHBondContact O-OG1 3.41Å; L338-T342 VanDerWaalsContact O-OG1 3.08Å
339	K	87.6	Confident	87.9	Confident	52 Å²	52	75.7 Å²	75.7	23%	0.226	36%	0.363	C	S	.	.	H	α-helix	trans	-61	-40.3	174.3	-177.6	55.4	171.2	170.4	0	112	Y311 E331 T334 L335 K336 F341 T342 D343	Y311-K339 VanDerWaalsContact OH-C 3.27Å; Y311-K339 PolarHBondContact OH-O 3.5Å; E331-K339 WeakPolarHBondContact OE1-CE 3.44Å; E331-K339 IonicContact OE1-NZ 3.89Å; E331-K339 PolarHBondContact OE1-NZ 3.33Å; T334-K339 HydrophobicContact CG2-CB 4.4Å; L335-K339 PolarHBondContact O-N 3.25Å; K336-K339 PolarHBondContact O-N 2.97Å; K339-F341 VanDerWaalsContact C-N 3.31Å; K339-F341 PolarHBondContact O-N 3.41Å; K339-T342 PolarHBondContact O-N 3.03Å; K339-D343 WeakPolarHBondContact CE-OD1 3.33Å; K339-D343 IonicContact NZ-OD1 3.64Å; K339-D343 PolarHBondContact NZ-OD1 3.02Å; K339-D343 WeakPolarHBondContact O-CB 3.2Å; K339-D343 VanDerWaalsContact O-CG 3.28Å; K339-D343 PolarHBondContact O-N 2.69Å
340	M	90.7	Very high	88.3	Confident	89 Å²	89	70.6 Å²	70.6	44%	0.438	34%	0.339	S	S	.	.	H	α-helix	trans	-60.4	-41.9	174.8	-179.7	-177.2	-179	0	0	112.3	T307 Y311 K336 V337 L338 F344	T307-M340 HydrophobicContact CG2-CE 4.47Å; T307-M340 HydrophobicContact CG2-CG 4.12Å; Y311-M340 HydrophobicContact CD2-CB 4.47Å; Y311-M340 HydrophobicContact CD2-CG 4.02Å; Y311-M340 HydrophobicContact CE2-CB 3.62Å; Y311-M340 HydrophobicContact CE2-CG 3.53Å; Y311-M340 WeakPolarHBondContact OH-CA 3.38Å; Y311-M340 PolarHBondContact OH-N 2.88Å; K336-M340 PolarHBondContact O-N 3.28Å; V337-M340 WeakPolarHBondContact O-CB 3.39Å; V337-M340 PolarHBondContact O-N 3.46Å; L338-M340 VanDerWaalsContact C-N 3.32Å; L338-M340 PolarHBondContact O-N 3.06Å; M340-F344 WeakPolarHBondContact O-CB 3.37Å; M340-F344 PolarHBondContact O-N 3.47Å
341	F	91	Very high	88.8	Confident	120 Å²	120	63 Å²	63	53%	0.526	31%	0.306	S	S	.	.	H	α-helix	trans	-68.2	-43.9	176.1	-171.6	-105	0	0	0	112.1	V337 L338 K339 D343 F344 L345	V337-F341 PolarHBondContact O-N 2.92Å; L338-F341 PolarHBondContact O-N 3.15Å; K339-F341 VanDerWaalsContact C-N 3.31Å; K339-F341 PolarHBondContact O-N 3.41Å; F341-D343 PolarHBondContact O-N 2.81Å; F341-F344 PolarHBondContact O-N 2.82Å; F341-L345 HydrophobicContact CD1-CD1 3.87Å; F341-L345 HydrophobicContact CD1-CG 4.33Å; F341-L345 HydrophobicContact CE1-CD1 3.42Å; F341-L345 VanDerWaalsContact CE1-CD1 3.42Å; F341-L345 HydrophobicContact CE1-CG 4.02Å; F341-L345 HydrophobicContact CZ-CD1 3.99Å; F341-L345 HydrophobicContact CZ-CD2 4.32Å; F341-L345 HydrophobicContact CZ-CG 4.22Å; F341-L345 WeakPolarHBondContact O-CG 3.46Å; F341-L345 PolarHBondContact O-N 3.31Å
342	T	90.5	Very high	89.2	Confident	37 Å²	37	59.8 Å²	59.8	23%	0.227	29%	0.291	C	S	.	.	H	α-helix	trans	-58	-45.5	174.4	-63.7	0	0	0	0	111.8	V82 L338 K339 L345 S346	V82-T342 HydrophobicContact CG1-CG2 3.68Å; L338-T342 PolarHBondContact O-N 3.42Å; L338-T342 PolarHBondContact O-OG1 3.41Å; L338-T342 VanDerWaalsContact O-OG1 3.08Å; K339-T342 PolarHBondContact O-N 3.03Å; T342-L345 PolarHBondContact O-N 3.43Å; T342-S346 VanDerWaalsContact O-CB 3.3Å; T342-S346 WeakPolarHBondContact O-CB 3.48Å; T342-S346 PolarHBondContact O-N 2.86Å
343	D	91.3	Very high	89.6	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.016	27%	0.268	C	S	.	.	H	α-helix	trans	-68	-36.9	179.5	-71.5	-15.9	0	0	0	111.5	K310 Y311 K339 F341 S346 F347	K310-D343 IonicContact NZ-OD1 2.83Å; K310-D343 PolarHBondContact NZ-OD1 2.69Å; K310-D343 IonicContact NZ-OD2 2.87Å; K310-D343 PolarHBondContact NZ-OD2 2.88Å; Y311-D343 PolarHBondContact OH-OD2 3.42Å; K339-D343 WeakPolarHBondContact CE-OD1 3.33Å; K339-D343 IonicContact NZ-OD1 3.64Å; K339-D343 PolarHBondContact NZ-OD1 3.02Å; K339-D343 WeakPolarHBondContact O-CB 3.2Å; K339-D343 VanDerWaalsContact O-CG 3.28Å; K339-D343 PolarHBondContact O-N 2.69Å; F341-D343 PolarHBondContact O-N 2.81Å; D343-S346 WeakPolarHBondContact O-CB 3.46Å; D343-S346 PolarHBondContact O-N 3.49Å; D343-F347 WeakPolarHBondContact O-CD2 3.34Å; D343-F347 PolarHBondContact O-N 3.47Å
344	F	93.6	Very high	89.9	Confident	51 Å²	51	47 Å²	47	22%	0.224	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-46.4	171.8	177	-98	0	0	0	112.4	L300 A303 A304 T307 M340 F341 S346 F347 M348	L300-F344 HydrophobicContact CD2-CZ 4.11Å; A303-F344 HydrophobicContact CB-CD2 4.07Å; A303-F344 HydrophobicContact CB-CE2 3.7Å; A303-F344 HydrophobicContact CB-CZ 4.33Å; A304-F344 HydrophobicContact CB-CE2 4.42Å; T307-F344 HydrophobicContact CG2-CB 4.28Å; T307-F344 WeakPolarHBondContact OG1-CA 3.27Å; M340-F344 WeakPolarHBondContact O-CB 3.37Å; M340-F344 PolarHBondContact O-N 3.47Å; F341-F344 PolarHBondContact O-N 2.82Å; F344-S346 VanDerWaalsContact C-N 3.29Å; F344-S346 PolarHBondContact O-N 3.05Å; F344-F347 PolarHBondContact O-N 2.7Å; F344-M348 HydrophobicContact CD1-SD 4.34Å; F344-M348 HydrophobicContact CE1-CG 4.11Å; F344-M348 HydrophobicContact CE1-SD 3.56Å; F344-M348 VanDerWaalsContact CE1-SD 3.56Å; F344-M348 HydrophobicContact CZ-CG 4.21Å; F344-M348 HydrophobicContact CZ-SD 3.93Å; F344-M348 PolarHBondContact O-N 3.3Å
345	L	92	Very high	90.1	Very high	26 Å²	26	44.6 Å²	44.6	14%	0.136	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-38	174.7	-71.2	-178	0	0	0	111.8	V78 V82 F341 T342 M348 V349	V78-L345 HydrophobicContact CG1-CB 4.05Å; V78-L345 HydrophobicContact CG1-CD1 4.15Å; V78-L345 HydrophobicContact CG1-CD2 4.39Å; V78-L345 HydrophobicContact CG1-CG 4.44Å; V82-L345 HydrophobicContact CG2-CD1 4.25Å; F341-L345 HydrophobicContact CD1-CD1 3.87Å; F341-L345 HydrophobicContact CD1-CG 4.33Å; F341-L345 HydrophobicContact CE1-CD1 3.42Å; F341-L345 VanDerWaalsContact CE1-CD1 3.42Å; F341-L345 HydrophobicContact CE1-CG 4.02Å; F341-L345 HydrophobicContact CZ-CD1 3.99Å; F341-L345 HydrophobicContact CZ-CD2 4.32Å; F341-L345 HydrophobicContact CZ-CG 4.22Å; F341-L345 WeakPolarHBondContact O-CG 3.46Å; F341-L345 PolarHBondContact O-N 3.31Å; T342-L345 PolarHBondContact O-N 3.43Å; L345-M348 WeakPolarHBondContact O-CB 3.31Å; L345-M348 PolarHBondContact O-N 3.33Å; L345-V349 WeakPolarHBondContact O-CG2 3.44Å; L345-V349 PolarHBondContact O-N 3.33Å
346	S	91.1	Very high	90	Very high	5 Å²	5	38.3 Å²	38.3	4%	0.035	19%	0.189	C	C	.	.	H	α-helix	trans	-62.8	-43.8	175.8	-173.7	0	0	0	0	112.1	P85 T342 D343 F344 V349 L350	P85-S346 WeakPolarHBondContact CD-OG 3.43Å; T342-S346 VanDerWaalsContact O-CB 3.3Å; T342-S346 WeakPolarHBondContact O-CB 3.48Å; T342-S346 PolarHBondContact O-N 2.86Å; D343-S346 WeakPolarHBondContact O-CB 3.46Å; D343-S346 PolarHBondContact O-N 3.49Å; F344-S346 VanDerWaalsContact C-N 3.29Å; F344-S346 PolarHBondContact O-N 3.05Å; S346-V349 PolarHBondContact O-N 2.79Å; S346-L350 WeakPolarHBondContact O-CB 3.28Å; S346-L350 PolarHBondContact O-N 3.19Å
347	F	93.6	Very high	89.9	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65	-38.4	172.4	-79.9	-61.1	0	0	0	113	A303 C306 T307 K310 D343 F344 V349 L350 F351 Q889 F894 Q896	A303-F347 HydrophobicContact CB-CB 4.16Å; C306-F347 HydrophobicContact CB-CD1 3.89Å; C306-F347 HydrophobicContact CB-CD2 4.07Å; C306-F347 HydrophobicContact CB-CE1 3.75Å; C306-F347 HydrophobicContact CB-CE2 3.93Å; C306-F347 HydrophobicContact CB-CG 4.05Å; C306-F347 HydrophobicContact CB-CZ 3.78Å; T307-F347 WeakPolarHBondContact OG1-CD2 3.45Å; K310-F347 HydrophobicContact CD-CE2 4.23Å; D343-F347 WeakPolarHBondContact O-CD2 3.34Å; D343-F347 PolarHBondContact O-N 3.47Å; F344-F347 PolarHBondContact O-N 2.7Å; F347-V349 VanDerWaalsContact C-N 3.31Å; F347-V349 PolarHBondContact O-N 2.95Å; F347-L350 HydrophobicContact CD1-CD2 4.44Å; F347-L350 PolarHBondContact O-N 3.15Å; F347-F351 HydrophobicContact CB-CD2 4.49Å; F347-F351 HydrophobicContact CB-CE2 4.36Å; F347-F351 AromaticContact CD1-CE2 3.95Å; F347-F351 HydrophobicContact CD1-CE2 3.95Å; F347-F351 HydrophobicContact CD1-CZ 4.17Å; F347-F351 WeakPolarHBondContact O-CB 3.48Å; F347-F351 VanDerWaalsContact O-CD2 3.28Å; F347-F351 WeakPolarHBondContact O-CD2 3.38Å; F347-F351 WeakPolarHBondContact O-CG 3.21Å; F347-F351 PolarHBondContact O-N 2.64Å; F347-Q889 HydrophobicContact CE1-CG 4.16Å; F347-F894 HydrophobicContact CZ-CB 4.06Å; F347-F894 WeakPolarHBondContact CZ-O 3.24Å; F347-Q896 HydrophobicContact CD1-CG 3.81Å; F347-Q896 HydrophobicContact CD2-CG 4.25Å; F347-Q896 HydrophobicContact CE1-CB 4.39Å; F347-Q896 HydrophobicContact CE1-CG 3.63Å; F347-Q896 HydrophobicContact CE2-CG 4.1Å; F347-Q896 HydrophobicContact CG-CG 4.11Å; F347-Q896 HydrophobicContact CZ-CG 3.78Å
348	M	91.9	Very high	89.8	Confident	27 Å²	27	26.2 Å²	26.2	13%	0.133	13%	0.13	C	C	.	.	H	α-helix	trans	-60.3	-42.4	173.8	-83.4	-164.1	54.1	0	0	112.1	Y71 I75 L299 L300 A303 F344 L345 N352	Y71-M348 HydrophobicContact CE2-CE 4.45Å; I75-M348 HydrophobicContact CD1-CE 4.03Å; L299-M348 HydrophobicContact CD2-CE 4.45Å; L300-M348 HydrophobicContact CD2-SD 4.03Å; A303-M348 HydrophobicContact CB-CG 3.9Å; F344-M348 HydrophobicContact CD1-SD 4.34Å; F344-M348 HydrophobicContact CE1-CG 4.11Å; F344-M348 HydrophobicContact CE1-SD 3.56Å; F344-M348 VanDerWaalsContact CE1-SD 3.56Å; F344-M348 HydrophobicContact CZ-CG 4.21Å; F344-M348 HydrophobicContact CZ-SD 3.93Å; F344-M348 PolarHBondContact O-N 3.3Å; L345-M348 WeakPolarHBondContact O-CB 3.31Å; L345-M348 PolarHBondContact O-N 3.33Å; M348-N352 PolarHBondContact O-N 3.13Å
349	V	91.4	Very high	89.8	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.9	-45.6	176.1	167.1	0	0	0	0	110.9	I75 V78 Q79 T84 T86 L345 S346 F347 F351 N352	I75-V349 HydrophobicContact CG2-CG2 4.29Å; V78-V349 HydrophobicContact CG1-CG2 4.04Å; Q79-V349 HydrophobicContact CG-CB 4.44Å; Q79-V349 HydrophobicContact CG-CG1 3.64Å; Q79-V349 HydrophobicContact CG-CG2 3.87Å; T84-V349 HydrophobicContact CG2-CB 4.37Å; T84-V349 HydrophobicContact CG2-CG1 4.41Å; T84-V349 HydrophobicContact CG2-CG2 4.11Å; T86-V349 VanDerWaalsContact OG1-CG1 3.28Å; T86-V349 WeakPolarHBondContact OG1-CG1 3.35Å; L345-V349 WeakPolarHBondContact O-CG2 3.44Å; L345-V349 PolarHBondContact O-N 3.33Å; S346-V349 PolarHBondContact O-N 2.79Å; F347-V349 VanDerWaalsContact C-N 3.31Å; F347-V349 PolarHBondContact O-N 2.95Å; V349-F351 VanDerWaalsContact C-N 3.27Å; V349-F351 PolarHBondContact O-N 2.81Å; V349-N352 WeakPolarHBondContact O-CB 3.38Å; V349-N352 PolarHBondContact O-N 3.03Å; V349-N352 PolarHBondContact O-ND2 3.48Å; V349-N352 PolarHBondContact O-OD1 2.92Å
350	L	91	Very high	89.6	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60	-38.8	179.5	-171.4	69.7	0	0	0	112.2	P85 T86 S346 F347 Q889 Q896 P898	P85-L350 HydrophobicContact CG-CD1 4.31Å; T86-L350 HydrophobicContact CG2-CD1 4.42Å; S346-L350 WeakPolarHBondContact O-CB 3.28Å; S346-L350 PolarHBondContact O-N 3.19Å; F347-L350 HydrophobicContact CD1-CD2 4.44Å; F347-L350 PolarHBondContact O-N 3.15Å; L350-Q889 HydrophobicContact CD2-CG 4.48Å; L350-Q896 HydrophobicContact CD2-CB 4.26Å; L350-P898 HydrophobicContact CD1-CB 4.08Å
351	F	92.6	Very high	89.3	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	5.3	-178.9	-58.6	-36.7	0	0	0	114.2	L299 K302 C306 F347 V349 F353 I354 I882 F886 Q889	L299-F351 HydrophobicContact CD1-CB 3.41Å; L299-F351 VanDerWaalsContact CD1-CB 3.41Å; L299-F351 WeakPolarHBondContact CD1-O 3.44Å; K302-F351 HydrophobicContact CB-CD2 4.09Å; K302-F351 HydrophobicContact CB-CE2 4.28Å; C306-F351 HydrophobicContact CB-CE2 4.45Å; F347-F351 HydrophobicContact CB-CD2 4.49Å; F347-F351 HydrophobicContact CB-CE2 4.36Å; F347-F351 AromaticContact CD1-CE2 3.95Å; F347-F351 HydrophobicContact CD1-CE2 3.95Å; F347-F351 HydrophobicContact CD1-CZ 4.17Å; F347-F351 WeakPolarHBondContact O-CB 3.48Å; F347-F351 VanDerWaalsContact O-CD2 3.28Å; F347-F351 WeakPolarHBondContact O-CD2 3.38Å; F347-F351 WeakPolarHBondContact O-CG 3.21Å; F347-F351 PolarHBondContact O-N 2.64Å; V349-F351 VanDerWaalsContact C-N 3.27Å; V349-F351 PolarHBondContact O-N 2.81Å; F351-F353 PolarHBondContact O-N 3.24Å; F351-F353 VanDerWaalsContact O-N 3.1Å; F351-I354 WeakPolarHBondContact O-CB 3.43Å; F351-I354 WeakPolarHBondContact O-CG2 3.28Å; F351-I354 PolarHBondContact O-N 3.44Å; F351-I354 VanDerWaalsContact O-N 3.08Å; F351-I882 HydrophobicContact CB-CG1 4.32Å; F351-I882 HydrophobicContact CD1-CD1 4.04Å; F351-I882 HydrophobicContact CD1-CG1 3.97Å; F351-F886 HydrophobicContact CE1-CB 3.89Å; F351-F886 HydrophobicContact CE2-CD2 4.03Å; F351-F886 HydrophobicContact CZ-CB 4.03Å; F351-F886 AromaticContact CZ-CD2 3.82Å; F351-F886 HydrophobicContact CZ-CD2 3.82Å; F351-F886 HydrophobicContact CZ-CG 4.43Å; F351-Q889 HydrophobicContact CE1-CG 4.29Å; F351-Q889 HydrophobicContact CZ-CG 3.86Å
352	N	89.4	Confident	89.3	Confident	2 Å²	2	11.7 Å²	11.7	1%	0.011	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-59.3	-28	-175	73.9	1.7	0	0	0	113.4	I75 S91 M348 V349 I354 I355	I75-N352 HydrophobicContact CG2-CB 4.17Å; I75-N352 WeakPolarHBondContact CG2-ND2 3.39Å; S91-N352 PolarHBondContact OG-ND2 3.42Å; S91-N352 VanDerWaalsContact OG-ND2 3.08Å; M348-N352 PolarHBondContact O-N 3.13Å; V349-N352 WeakPolarHBondContact O-CB 3.38Å; V349-N352 PolarHBondContact O-N 3.03Å; V349-N352 PolarHBondContact O-ND2 3.48Å; V349-N352 PolarHBondContact O-OD1 2.92Å; N352-I354 PolarHBondContact O-N 3.38Å; N352-I354 VanDerWaalsContact O-N 3.07Å; N352-I355 PolarHBondContact O-N 3.3Å
353	F	88.1	Confident	89.2	Confident	12 Å²	12	10.2 Å²	10.2	5%	0.053	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-67.5	-6.8	-179.8	-63.6	-79.6	0	0	0	113.1	F351 I355 N878 F881 I882 L905	F351-F353 PolarHBondContact O-N 3.24Å; F351-F353 VanDerWaalsContact O-N 3.1Å; F353-I355 PolarHBondContact O-N 2.93Å; F353-N878 WeakPolarHBondContact O-CB 3.48Å; F353-N878 PolarHBondContact O-OD1 3.24Å; F353-N878 VanDerWaalsContact O-OD1 3.07Å; F353-F881 HydrophobicContact CB-CD1 4.17Å; F353-F881 HydrophobicContact CB-CE1 3.76Å; F353-F881 HydrophobicContact CD1-CE1 4.48Å; F353-F881 HydrophobicContact CG-CE1 4.05Å; F353-I882 HydrophobicContact CB-CD1 4.42Å; F353-L905 HydrophobicContact CE2-CB 4.34Å; F353-L905 HydrophobicContact CE2-CD1 4.25Å; F353-L905 HydrophobicContact CZ-CB 4.09Å
354	I	90.9	Very high	89	Confident	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-61.6	-31.5	167.8	-159.3	178.2	0	0	0	111.6	Y295 I298 L299 K302 F351 N352 L879 I882	Y295-I354 HydrophobicContact CD1-CD1 4.38Å; Y295-I354 HydrophobicContact CD1-CG1 3.91Å; Y295-I354 HydrophobicContact CE1-CG1 4.31Å; I298-I354 HydrophobicContact CB-CD1 4.27Å; I298-I354 HydrophobicContact CG2-CD1 3.64Å; L299-I354 HydrophobicContact CB-CG2 3.91Å; L299-I354 HydrophobicContact CD1-CG2 3.99Å; L299-I354 HydrophobicContact CD2-CG2 4.39Å; L299-I354 HydrophobicContact CG-CG2 4.31Å; K302-I354 HydrophobicContact CD-CD1 4.4Å; F351-I354 WeakPolarHBondContact O-CB 3.43Å; F351-I354 WeakPolarHBondContact O-CG2 3.28Å; F351-I354 PolarHBondContact O-N 3.44Å; F351-I354 VanDerWaalsContact O-N 3.08Å; N352-I354 PolarHBondContact O-N 3.38Å; N352-I354 VanDerWaalsContact O-N 3.07Å; I354-L879 HydrophobicContact CD1-CD1 4.2Å; I354-L879 HydrophobicContact CG1-CD1 4.36Å; I354-I882 HydrophobicContact CB-CG2 3.95Å; I354-I882 HydrophobicContact CD1-CG2 4.35Å; I354-I882 HydrophobicContact CG1-CG2 3.86Å
355	I	88.9	Confident	88.7	Confident	2 Å²	2	10.8 Å²	10.8	1%	0.01	6%	0.056	C	C	.	.	S	Bend	trans	-90.3	123.1	173.7	-63.5	-179.9	0	0	0	107.9	Y71 F72 L292 L296 N352 F353 V357	Y71-I355 HydrophobicContact CD1-CD1 3.94Å; Y71-I355 HydrophobicContact CD2-CD1 4.5Å; Y71-I355 HydrophobicContact CE1-CB 4.22Å; Y71-I355 HydrophobicContact CE1-CD1 3.64Å; Y71-I355 HydrophobicContact CE1-CG1 4.38Å; Y71-I355 HydrophobicContact CE2-CD1 4.23Å; Y71-I355 HydrophobicContact CG-CD1 4.37Å; F72-I355 HydrophobicContact CE2-CG2 3.78Å; F72-I355 HydrophobicContact CZ-CB 3.84Å; F72-I355 HydrophobicContact CZ-CG2 3.52Å; F72-I355 WeakPolarHBondContact CZ-O 3.49Å; L292-I355 HydrophobicContact CD1-CB 4.41Å; L292-I355 HydrophobicContact CD1-CD1 4.14Å; L292-I355 HydrophobicContact CD1-CG1 4.21Å; L292-I355 HydrophobicContact CD1-CG2 3.39Å; L296-I355 HydrophobicContact CB-CD1 4.46Å; L296-I355 HydrophobicContact CD1-CD1 4.15Å; N352-I355 PolarHBondContact O-N 3.3Å; F353-I355 PolarHBondContact O-N 2.93Å; I355-V357 PolarHBondContact O-N 2.82Å
356	P	84.9	Confident	88.7	Confident	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.05	C	C	.	.			trans	-82	100.8	-174.5	31.9	-35.7	0	0	0	112.1	S358 M359 F874 F875 N878	P356-S358 PolarHBondContact O-N 3.13Å; P356-M359 HydrophobicContact CB-CB 3.9Å; P356-M359 HydrophobicContact CG-CB 3.9Å; P356-M359 HydrophobicContact CG-CE 4.07Å; P356-M359 HydrophobicContact CG-SD 3.94Å; P356-M359 WeakPolarHBondContact O-CB 3.46Å; P356-M359 PolarHBondContact O-N 3.01Å; P356-F874 HydrophobicContact CB-CD1 4.04Å; P356-F875 HydrophobicContact CG-CD1 4.17Å; P356-F875 HydrophobicContact CG-CE1 3.98Å; P356-F875 HydrophobicContact CG-CZ 4.39Å; P356-N878 WeakPolarHBondContact CB-ND2 3.3Å
357	V	82.3	Confident	88.7	Confident	18 Å²	18	9.3 Å²	9.3	11%	0.109	5%	0.048	C	C	.	.	H	α-helix	trans	-57.9	-48.3	175.6	-169.7	0	0	0	0	111.2	F72 P94 V98 I355 M359	F72-V357 HydrophobicContact CD1-CG2 3.61Å; F72-V357 HydrophobicContact CD2-CB 4.32Å; F72-V357 HydrophobicContact CD2-CG1 4.1Å; F72-V357 HydrophobicContact CD2-CG2 3.85Å; F72-V357 HydrophobicContact CE1-CB 4.45Å; F72-V357 HydrophobicContact CE1-CG2 3.2Å; F72-V357 HydrophobicContact CE2-CB 3.92Å; F72-V357 HydrophobicContact CE2-CG1 4.19Å; F72-V357 HydrophobicContact CE2-CG2 3.47Å; F72-V357 VanDerWaalsContact CE2-CG2 3.47Å; F72-V357 HydrophobicContact CG-CG2 3.93Å; F72-V357 HydrophobicContact CZ-CB 4.01Å; F72-V357 HydrophobicContact CZ-CG2 3.13Å; P94-V357 HydrophobicContact CB-CB 4.39Å; P94-V357 HydrophobicContact CB-CG1 4.12Å; P94-V357 HydrophobicContact CB-CG2 4.49Å; V98-V357 HydrophobicContact CG2-CG1 3.79Å; I355-V357 PolarHBondContact O-N 2.82Å; V357-M359 PolarHBondContact O-N 2.75Å
358	S	84.4	Confident	88.4	Confident	14 Å²	14	11.5 Å²	11.5	10%	0.098	6%	0.058	C	C	.	.	H	α-helix	trans	-74.6	-8.7	-171.7	55.9	0	0	0	0	114.3	P356 Y360 V361 T362 N909	P356-S358 PolarHBondContact O-N 3.13Å; S358-Y360 PolarHBondContact O-N 3.44Å; S358-V361 PolarHBondContact O-N 3.25Å; S358-T362 PolarHBondContact O-N 2.8Å; S358-T362 VanDerWaalsContact O-N 3.12Å; S358-T362 PolarHBondContact O-OG1 3.2Å; S358-N909 PolarHBondContact OG-O 3.49Å
359	M	88.3	Confident	88.4	Confident	1 Å²	1	13.3 Å²	13.3	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-59.3	-46.1	176.7	176.1	-173.5	63.4	0	0	111.1	I288 P356 V357 V361 T362 V363 F874 F875	I288-M359 HydrophobicContact CG2-CE 3.59Å; I288-M359 HydrophobicContact CG2-SD 4.32Å; P356-M359 HydrophobicContact CB-CB 3.9Å; P356-M359 HydrophobicContact CG-CB 3.9Å; P356-M359 HydrophobicContact CG-CE 4.07Å; P356-M359 HydrophobicContact CG-SD 3.94Å; P356-M359 WeakPolarHBondContact O-CB 3.46Å; P356-M359 PolarHBondContact O-N 3.01Å; V357-M359 PolarHBondContact O-N 2.75Å; M359-V361 PolarHBondContact O-N 2.58Å; M359-T362 PolarHBondContact O-N 3.42Å; M359-V363 HydrophobicContact CG-CG2 4.2Å; M359-V363 WeakPolarHBondContact O-CB 3.25Å; M359-V363 VanDerWaalsContact O-CG2 3.32Å; M359-V363 WeakPolarHBondContact O-CG2 3.39Å; M359-V363 PolarHBondContact O-N 3.13Å; M359-F874 HydrophobicContact CB-CB 4.3Å; M359-F874 HydrophobicContact CB-CD1 3.75Å; M359-F874 HydrophobicContact CB-CE1 4.19Å; M359-F874 HydrophobicContact CB-CG 3.94Å; M359-F874 HydrophobicContact CG-CB 4.15Å; M359-F874 HydrophobicContact CG-CD1 4.4Å; M359-F874 HydrophobicContact CG-CD2 4.43Å; M359-F874 HydrophobicContact CG-CG 4.08Å; M359-F874 HydrophobicContact SD-CB 4.38Å; M359-F875 HydrophobicContact CE-CZ 4.31Å; M359-F875 HydrophobicContact SD-CE2 3.96Å; M359-F875 HydrophobicContact SD-CZ 4.24Å
360	Y	83.5	Confident	88.3	Confident	24 Å²	24	13.3 Å²	13.3	9%	0.094	7%	0.068	C	C	.	.	H	α-helix	trans	-63.6	-41.7	-176.1	-72.7	-79.8	0	0	0	112.4	A68 I288 S358 T362 V363 E364	A68-Y360 HydrophobicContact CB-CD2 4Å; A68-Y360 HydrophobicContact CB-CE2 3.17Å; I288-Y360 HydrophobicContact CG2-CE1 4.36Å; S358-Y360 PolarHBondContact O-N 3.44Å; Y360-T362 VanDerWaalsContact C-N 3.33Å; Y360-T362 PolarHBondContact O-N 2.87Å; Y360-V363 PolarHBondContact O-N 3.32Å; Y360-E364 WeakPolarHBondContact O-CB 3.5Å; Y360-E364 WeakPolarHBondContact O-CG 3.36Å; Y360-E364 PolarHBondContact O-N 3.45Å
361	V	85.3	Confident	88.3	Confident	12 Å²	12	13.8 Å²	13.8	7%	0.073	7%	0.071	C	C	.	.	H	α-helix	trans	-63.7	-42.8	175.4	-179.1	0	0	0	0	111	F97 V98 V101 S358 M359 E364 M365	F97-V361 HydrophobicContact CE1-CG1 4.36Å; V98-V361 VanDerWaalsContact CA-CG2 3.42Å; V98-V361 HydrophobicContact CB-CG2 3.49Å; V98-V361 VanDerWaalsContact CB-CG2 3.49Å; V98-V361 HydrophobicContact CG1-CG2 3.48Å; V98-V361 VanDerWaalsContact CG1-CG2 3.48Å; V98-V361 HydrophobicContact CG2-CG2 3.24Å; V101-V361 HydrophobicContact CB-CG1 4.36Å; V101-V361 HydrophobicContact CG1-CG1 3.83Å; S358-V361 PolarHBondContact O-N 3.25Å; M359-V361 PolarHBondContact O-N 2.58Å; V361-E364 PolarHBondContact O-N 2.96Å; V361-M365 HydrophobicContact CG1-CG 4.28Å; V361-M365 WeakPolarHBondContact O-CB 3.3Å; V361-M365 WeakPolarHBondContact O-CG 3.14Å; V361-M365 PolarHBondContact O-N 2.79Å
362	T	89.7	Confident	88.3	Confident	11 Å²	11	17 Å²	17	7%	0.067	9%	0.085	C	C	.	.	H	α-helix	trans	-67.3	-40	-177.6	-47.6	0	0	0	0	110.9	S358 M359 Y360 Q366 L870 F874 L918	S358-T362 PolarHBondContact O-N 2.8Å; S358-T362 VanDerWaalsContact O-N 3.12Å; S358-T362 PolarHBondContact O-OG1 3.2Å; M359-T362 PolarHBondContact O-N 3.42Å; Y360-T362 VanDerWaalsContact C-N 3.33Å; Y360-T362 PolarHBondContact O-N 2.87Å; T362-Q366 VanDerWaalsContact O-CB 3.27Å; T362-Q366 WeakPolarHBondContact O-CB 3.32Å; T362-Q366 PolarHBondContact O-N 2.78Å; T362-L870 HydrophobicContact CG2-CD1 4Å; T362-F874 HydrophobicContact CG2-CE2 3.85Å; T362-F874 HydrophobicContact CG2-CZ 4.02Å; T362-F874 WeakPolarHBondContact OG1-CZ 3.36Å; T362-L918 HydrophobicContact CG2-CB 3.98Å; T362-L918 HydrophobicContact CG2-CD1 3.93Å; T362-L918 HydrophobicContact CG2-CG 4.46Å
363	V	89.8	Confident	88.6	Confident	7 Å²	7	20.1 Å²	20.1	4%	0.042	10%	0.099	C	C	.	.	H	α-helix	trans	-62.1	-48.4	172.7	169.1	0	0	0	0	110.9	M359 Y360 M365 Q366 K367 I867 L870	M359-V363 HydrophobicContact CG-CG2 4.2Å; M359-V363 WeakPolarHBondContact O-CB 3.25Å; M359-V363 VanDerWaalsContact O-CG2 3.32Å; M359-V363 WeakPolarHBondContact O-CG2 3.39Å; M359-V363 PolarHBondContact O-N 3.13Å; Y360-V363 PolarHBondContact O-N 3.32Å; V363-M365 VanDerWaalsContact C-N 3.33Å; V363-M365 PolarHBondContact O-N 2.75Å; V363-Q366 WeakPolarHBondContact O-CB 3.38Å; V363-Q366 PolarHBondContact O-N 2.79Å; V363-K367 HydrophobicContact CG1-CD 4.15Å; V363-K367 HydrophobicContact CG1-CG 4.43Å; V363-K367 WeakPolarHBondContact O-CB 3.12Å; V363-K367 WeakPolarHBondContact O-CG 3.35Å; V363-K367 PolarHBondContact O-N 2.75Å; V363-I867 HydrophobicContact CG1-CD1 3.85Å; V363-L870 HydrophobicContact CG2-CD2 3.47Å; V363-L870 VanDerWaalsContact CG2-CD2 3.47Å
364	E	85.4	Confident	88.8	Confident	9 Å²	9	19.6 Å²	19.6	4%	0.042	10%	0.097	C	C	.	.	H	α-helix	trans	-62.6	-40.4	179.5	-70.2	-79.9	-179	0	0	112.1	R66 K105 Y360 V361 K367 F368	R66-E364 IonicContact CZ-OE1 2.7Å; R66-E364 VanDerWaalsContact CZ-OE1 3.28Å; R66-E364 IonicContact NH1-OE1 3.41Å; R66-E364 PolarHBondContact NH1-OE1 3.1Å; R66-E364 IonicContact NH2-OE1 3.27Å; R66-E364 PolarHBondContact NH2-OE1 3.13Å; K105-E364 IonicContact NZ-OE2 2.65Å; K105-E364 PolarHBondContact NZ-OE2 2.9Å; Y360-E364 WeakPolarHBondContact O-CB 3.5Å; Y360-E364 WeakPolarHBondContact O-CG 3.36Å; Y360-E364 PolarHBondContact O-N 3.45Å; V361-E364 PolarHBondContact O-N 2.96Å; E364-K367 PolarHBondContact O-N 2.72Å; E364-F368 WeakPolarHBondContact O-CB 3.02Å; E364-F368 PolarHBondContact O-N 3.22Å
365	M	88.1	Confident	88.9	Confident	56 Å²	56	22 Å²	22	28%	0.276	11%	0.113	S	C	.	.	H	α-helix	trans	-66.7	-40.1	174.9	-76.1	-60.7	161.5	0	0	112.3	V101 V361 V363 F368 L369 L918	V101-M365 HydrophobicContact CG1-CE 3.09Å; V361-M365 HydrophobicContact CG1-CG 4.28Å; V361-M365 WeakPolarHBondContact O-CB 3.3Å; V361-M365 WeakPolarHBondContact O-CG 3.14Å; V361-M365 PolarHBondContact O-N 2.79Å; V363-M365 VanDerWaalsContact C-N 3.33Å; V363-M365 PolarHBondContact O-N 2.75Å; M365-F368 PolarHBondContact O-N 3.3Å; M365-L369 VanDerWaalsContact O-CB 3.3Å; M365-L369 WeakPolarHBondContact O-CB 2.97Å; M365-L369 WeakPolarHBondContact O-CG 3.28Å; M365-L369 PolarHBondContact O-N 2.95Å; M365-L918 HydrophobicContact CB-CD1 4.31Å
366	Q	92.6	Very high	89	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.8	-46	174.2	178.5	-79.8	-37.3	0	0	111.1	T362 V363 G370 L918 S921 L922	T362-Q366 VanDerWaalsContact O-CB 3.27Å; T362-Q366 WeakPolarHBondContact O-CB 3.32Å; T362-Q366 PolarHBondContact O-N 2.78Å; V363-Q366 WeakPolarHBondContact O-CB 3.38Å; V363-Q366 PolarHBondContact O-N 2.79Å; Q366-G370 WeakPolarHBondContact O-CA 3.47Å; Q366-G370 PolarHBondContact O-N 3.23Å; Q366-L918 HydrophobicContact CB-CD1 4.33Å; Q366-S921 WeakPolarHBondContact CG-O 3.3Å; Q366-S921 WeakPolarHBondContact CG-OG 3.38Å; Q366-L922 HydrophobicContact CG-CD2 4.37Å
367	K	90.2	Very high	89.5	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.3	-48.9	177.8	-75.5	-177.6	179.8	-155.5	0	111.9	E285 V363 E364 S371 S394 D395 N397 E398	E285-K367 IonicContact OE1-NZ 3.99Å; E285-K367 PolarHBondContact OE1-NZ 3.25Å; V363-K367 HydrophobicContact CG1-CD 4.15Å; V363-K367 HydrophobicContact CG1-CG 4.43Å; V363-K367 WeakPolarHBondContact O-CB 3.12Å; V363-K367 WeakPolarHBondContact O-CG 3.35Å; V363-K367 PolarHBondContact O-N 2.75Å; E364-K367 PolarHBondContact O-N 2.72Å; K367-S371 PolarHBondContact O-N 3.43Å; K367-S371 VanDerWaalsContact O-N 3.07Å; K367-S394 WeakPolarHBondContact CB-O 3.29Å; K367-D395 PolarHBondContact NZ-O 3.29Å; K367-N397 PolarHBondContact O-ND2 3.37Å; K367-E398 VanDerWaalsContact CE-CD 3.48Å; K367-E398 WeakPolarHBondContact CE-OE1 3.49Å; K367-E398 VanDerWaalsContact CE-OE2 3.22Å; K367-E398 WeakPolarHBondContact CE-OE2 3.27Å; K367-E398 IonicContact NZ-OE1 2.71Å; K367-E398 PolarHBondContact NZ-OE1 2.76Å; K367-E398 IonicContact NZ-OE2 2.58Å; K367-E398 PolarHBondContact NZ-OE2 3.1Å
368	F	88.5	Confident	90	Very high	46 Å²	46	39.7 Å²	39.7	20%	0.202	19%	0.185	C	C	.	.	H	α-helix	trans	-63.7	-55.8	-179.4	177.4	-107.8	0	0	0	112	K105 E364 M365 G370 S371 F372	K105-F368 HydrophobicContact CG-CD2 4.45Å; E364-F368 WeakPolarHBondContact O-CB 3.02Å; E364-F368 PolarHBondContact O-N 3.22Å; M365-F368 PolarHBondContact O-N 3.3Å; F368-G370 VanDerWaalsContact C-N 3.3Å; F368-G370 PolarHBondContact O-N 3.43Å; F368-S371 WeakPolarHBondContact O-CB 3.47Å; F368-S371 PolarHBondContact O-N 3.23Å; F368-S371 PolarHBondContact O-OG 2.63Å; F368-F372 HydrophobicContact CD1-CE2 4.24Å; F368-F372 AromaticContact CE1-CE2 3.74Å; F368-F372 HydrophobicContact CE1-CE2 3.74Å; F368-F372 HydrophobicContact CE1-CZ 4.05Å; F368-F372 HydrophobicContact CE2-CE2 4.37Å; F368-F372 HydrophobicContact CE2-CZ 4.04Å; F368-F372 AromaticContact CZ-CE2 3.82Å; F368-F372 HydrophobicContact CZ-CE2 3.82Å; F368-F372 AromaticContact CZ-CZ 3.63Å; F368-F372 HydrophobicContact CZ-CZ 3.63Å
369	L	91.3	Very high	90.4	Very high	65 Å²	65	43.5 Å²	43.5	34%	0.34	21%	0.205	S	C	.	.	H	α-helix	trans	-66.1	-34.3	-179.6	-66.6	173.5	0	0	0	112	M365 S371 F372 L922	M365-L369 VanDerWaalsContact O-CB 3.3Å; M365-L369 WeakPolarHBondContact O-CB 2.97Å; M365-L369 WeakPolarHBondContact O-CG 3.28Å; M365-L369 PolarHBondContact O-N 2.95Å; L369-S371 VanDerWaalsContact C-N 3.32Å; L369-S371 PolarHBondContact O-N 2.91Å; L369-F372 HydrophobicContact CD2-CE2 4.43Å; L369-F372 PolarHBondContact O-N 3.27Å; L369-L922 HydrophobicContact CB-CD1 4.37Å; L369-L922 HydrophobicContact CB-CD2 3.74Å; L369-L922 HydrophobicContact CD1-CD1 3.91Å
370	G	90.1	Very high	90.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-38.1	174.5	0	0	0	0	0	112.5	Q366 F368 F372 F373 Y863	Q366-G370 WeakPolarHBondContact O-CA 3.47Å; Q366-G370 PolarHBondContact O-N 3.23Å; F368-G370 VanDerWaalsContact C-N 3.3Å; F368-G370 PolarHBondContact O-N 3.43Å; G370-F372 PolarHBondContact O-N 3.09Å; G370-F372 VanDerWaalsContact O-N 3.1Å; G370-F373 WeakPolarHBondContact O-CB 3.49Å; G370-F373 PolarHBondContact O-N 3Å; G370-Y863 PolarHBondContact O-OH 2.89Å
371	S	90.6	Very high	90.9	Very high	11 Å²	11	47 Å²	47	8%	0.077	22%	0.218	C	C	.	.	H	α-helix	trans	-57.3	-31.4	-178.6	71.1	0	0	0	0	113.8	K367 F368 L369 F373 I374 S375	K367-S371 PolarHBondContact O-N 3.43Å; K367-S371 VanDerWaalsContact O-N 3.07Å; F368-S371 WeakPolarHBondContact O-CB 3.47Å; F368-S371 PolarHBondContact O-N 3.23Å; F368-S371 PolarHBondContact O-OG 2.63Å; L369-S371 VanDerWaalsContact C-N 3.32Å; L369-S371 PolarHBondContact O-N 2.91Å; S371-F373 VanDerWaalsContact C-N 3.27Å; S371-F373 PolarHBondContact O-N 3.27Å; S371-I374 PolarHBondContact O-N 3.49Å; S371-S375 PolarHBondContact O-N 3.4Å
372	F	92.3	Very high	91	Very high	66 Å²	66	47 Å²	47	29%	0.289	22%	0.218	S	C	.	.	H	α-helix	trans	-65.1	-28.8	176.1	-62.3	-54.5	0	0	0	113	F368 L369 G370 I374 S375 W376	F368-F372 HydrophobicContact CD1-CE2 4.24Å; F368-F372 AromaticContact CE1-CE2 3.74Å; F368-F372 HydrophobicContact CE1-CE2 3.74Å; F368-F372 HydrophobicContact CE1-CZ 4.05Å; F368-F372 HydrophobicContact CE2-CE2 4.37Å; F368-F372 HydrophobicContact CE2-CZ 4.04Å; F368-F372 AromaticContact CZ-CE2 3.82Å; F368-F372 HydrophobicContact CZ-CE2 3.82Å; F368-F372 AromaticContact CZ-CZ 3.63Å; F368-F372 HydrophobicContact CZ-CZ 3.63Å; L369-F372 HydrophobicContact CD2-CE2 4.43Å; L369-F372 PolarHBondContact O-N 3.27Å; G370-F372 PolarHBondContact O-N 3.09Å; G370-F372 VanDerWaalsContact O-N 3.1Å; F372-I374 VanDerWaalsContact C-N 3.26Å; F372-I374 PolarHBondContact O-N 3.2Å; F372-S375 PolarHBondContact O-N 3.08Å; F372-W376 HydrophobicContact CB-CD2 4.11Å; F372-W376 HydrophobicContact CB-CE3 4.05Å; F372-W376 HydrophobicContact CB-CH2 4.01Å; F372-W376 HydrophobicContact CB-CZ2 4.05Å; F372-W376 HydrophobicContact CB-CZ3 4.01Å; F372-W376 HydrophobicContact CD1-CZ2 4.38Å; F372-W376 HydrophobicContact CG-CH2 4.32Å; F372-W376 HydrophobicContact CG-CZ2 4.22Å; F372-W376 WeakPolarHBondContact O-CB 3.32Å; F372-W376 PolarHBondContact O-N 2.88Å
373	F	94.4	Very high	91	Very high	69 Å²	69	54 Å²	54	30%	0.303	25%	0.25	S	C	.	.	H	α-helix	trans	-67.9	-25.8	176.7	-60.8	-33.7	0	0	0	113.1	G370 S371 L922 L923	G370-F373 WeakPolarHBondContact O-CB 3.49Å; G370-F373 PolarHBondContact O-N 3Å; S371-F373 VanDerWaalsContact C-N 3.27Å; S371-F373 PolarHBondContact O-N 3.27Å; F373-L922 HydrophobicContact CE2-CB 4.39Å; F373-L922 WeakPolarHBondContact CE2-O 3.35Å; F373-L923 HydrophobicContact CZ-CD2 3.99Å
374	I	93.8	Very high	90.6	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-73.5	-46.4	170.3	-63.8	167.9	0	0	0	109	S371 F372 W376 D377 F380 A389 V391 L400 Y844 L855 H859 Y863	S371-I374 PolarHBondContact O-N 3.49Å; F372-I374 VanDerWaalsContact C-N 3.26Å; F372-I374 PolarHBondContact O-N 3.2Å; I374-W376 VanDerWaalsContact C-N 3.35Å; I374-W376 PolarHBondContact O-N 2.87Å; I374-D377 PolarHBondContact O-N 3.1Å; I374-F380 HydrophobicContact CG2-CD2 4.24Å; I374-F380 HydrophobicContact CG2-CE2 4.03Å; I374-F380 WeakPolarHBondContact O-CD2 3.3Å; I374-A389 HydrophobicContact CG2-CB 3.97Å; I374-V391 HydrophobicContact CB-CG2 3.93Å; I374-V391 HydrophobicContact CD1-CG2 4.34Å; I374-V391 HydrophobicContact CG2-CG2 3.97Å; I374-L400 HydrophobicContact CD1-CD1 4.31Å; I374-Y844 HydrophobicContact CD1-CD1 4.28Å; I374-Y844 HydrophobicContact CD1-CE1 3.91Å; I374-L855 HydrophobicContact CD1-CD1 4.21Å; I374-L855 HydrophobicContact CG1-CD1 4.42Å; I374-L855 HydrophobicContact CG2-CD1 4.1Å; I374-H859 HydrophobicContact CG1-CB 4.44Å; I374-Y863 HydrophobicContact CD1-CE2 3.77Å; I374-Y863 HydrophobicContact CG1-CE2 3.94Å
375	S	91.4	Very high	90.2	Very high	50 Å²	50	63.5 Å²	63.5	35%	0.35	30%	0.295	S	S	.	.	H	α-helix	trans	-69.1	-29.8	-175.2	-170.2	0	0	0	0	113.9	S371 F372 A389	S371-S375 PolarHBondContact O-N 3.4Å; F372-S375 PolarHBondContact O-N 3.08Å; S375-A389 WeakPolarHBondContact CA-O 3.39Å; S375-A389 PolarHBondContact OG-O 3.46Å
376	W	92.8	Very high	90	Very high	185 Å²	185	66.2 Å²	66.2	70%	0.701	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-0.1	179.2	-62	-20.6	0	0	0	114.3	F372 I374 K378	F372-W376 HydrophobicContact CB-CD2 4.11Å; F372-W376 HydrophobicContact CB-CE3 4.05Å; F372-W376 HydrophobicContact CB-CH2 4.01Å; F372-W376 HydrophobicContact CB-CZ2 4.05Å; F372-W376 HydrophobicContact CB-CZ3 4.01Å; F372-W376 HydrophobicContact CD1-CZ2 4.38Å; F372-W376 HydrophobicContact CG-CH2 4.32Å; F372-W376 HydrophobicContact CG-CZ2 4.22Å; F372-W376 WeakPolarHBondContact O-CB 3.32Å; F372-W376 PolarHBondContact O-N 2.88Å; I374-W376 VanDerWaalsContact C-N 3.35Å; I374-W376 PolarHBondContact O-N 2.87Å; W376-K378 PolarHBondContact O-N 2.9Å
377	D	94.6	Very high	89.4	Confident	29 Å²	29	72 Å²	72	16%	0.155	34%	0.337	C	S	.	.			trans	-73.5	117.8	178.1	-166.3	-15.1	0	0	0	109.8	I374 D379 F380 K854 H859	I374-D377 PolarHBondContact O-N 3.1Å; D377-D379 PolarHBondContact O-N 3.42Å; D377-D379 PolarHBondContact OD1-N 3.47Å; D377-F380 HydrophobicContact CB-CD2 3.63Å; D377-F380 HydrophobicContact CB-CE2 3.92Å; D377-F380 PolarHBondContact O-N 2.86Å; D377-K854 VanDerWaalsContact CG-NZ 3.3Å; D377-K854 IonicContact OD1-NZ 3.61Å; D377-K854 PolarHBondContact OD1-NZ 3.24Å; D377-K854 WeakPolarHBondContact OD2-CE 3.48Å; D377-K854 IonicContact OD2-NZ 3Å; D377-K854 PolarHBondContact OD2-NZ 2.99Å; D377-H859 IonicContact OD2-CD2 2.98Å; D377-H859 IonicContact OD2-CE1 2.66Å; D377-H859 IonicContact OD2-NE2 2.74Å; D377-H859 PolarHBondContact OD2-NE2 3.45Å
378	K	92.9	Very high	89.3	Confident	178 Å²	178	73.5 Å²	73.5	77%	0.774	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-65	-25.4	-178	-63.5	-176.7	179.8	-176	0	112.3	W376 F380 Y381	W376-K378 PolarHBondContact O-N 2.9Å; K378-F380 PolarHBondContact O-N 3.33Å; K378-Y381 WeakPolarHBondContact O-CB 3.39Å; K378-Y381 PolarHBondContact O-N 2.93Å
379	D	92.3	Very high	89.3	Confident	94 Å²	94	71.5 Å²	71.5	50%	0.503	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-72	-8.5	-179.5	-64.8	4.6	0	0	0	112.5	D377 H851 K854	D377-D379 PolarHBondContact O-N 3.42Å; D377-D379 PolarHBondContact OD1-N 3.47Å; D379-H851 PolarHBondContact O-CD2 3.25Å; D379-H851 VanDerWaalsContact O-CD2 3.27Å; D379-H851 PolarHBondContact O-NE2 3.39Å; D379-K854 HydrophobicContact CB-CD 3.89Å; D379-K854 WeakPolarHBondContact OD2-CE 3.3Å; D379-K854 IonicContact OD2-NZ 3.8Å; D379-K854 PolarHBondContact OD2-NZ 3.35Å
380	F	92.1	Very high	89	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-99.2	-2.9	171.7	-61.4	-43.9	0	0	0	113.8	I374 D377 K378 A389 P847 H851 K854 L855 H859	I374-F380 HydrophobicContact CG2-CD2 4.24Å; I374-F380 HydrophobicContact CG2-CE2 4.03Å; I374-F380 WeakPolarHBondContact O-CD2 3.3Å; D377-F380 HydrophobicContact CB-CD2 3.63Å; D377-F380 HydrophobicContact CB-CE2 3.92Å; D377-F380 PolarHBondContact O-N 2.86Å; K378-F380 PolarHBondContact O-N 3.33Å; F380-A389 HydrophobicContact CB-CB 3.68Å; F380-A389 HydrophobicContact CD2-CB 3.86Å; F380-A389 HydrophobicContact CG-CB 3.96Å; F380-P847 VanDerWaalsContact O-CG 3.31Å; F380-P847 WeakPolarHBondContact O-CG 3.22Å; F380-H851 HydrophobicContact CD1-CB 3.58Å; F380-H851 AromaticContact CD1-CG 3.76Å; F380-H851 HydrophobicContact CE1-CB 3.93Å; F380-H851 WeakPolarHBondContact CE1-O 3.29Å; F380-H851 PolarHBondContact O-CE1 3.01Å; F380-K854 HydrophobicContact CE1-CB 4.06Å; F380-K854 HydrophobicContact CE1-CD 4.42Å; F380-K854 HydrophobicContact CE1-CG 4.43Å; F380-K854 HydrophobicContact CZ-CB 4.37Å; F380-K854 HydrophobicContact CZ-CD 4.45Å; F380-K854 HydrophobicContact CZ-CG 4.37Å; F380-L855 HydrophobicContact CE1-CB 4.24Å; F380-L855 HydrophobicContact CZ-CB 4.06Å; F380-L855 HydrophobicContact CZ-CD1 4.22Å; F380-H859 AromaticContact CE2-CD2 3.69Å; F380-H859 AromaticContact CE2-NE2 3.65Å; F380-H859 AromaticContact CZ-CD2 3.67Å
381	Y	91.6	Very high	88.9	Confident	99 Å²	99	74.1 Å²	74.1	39%	0.388	36%	0.36	S	S	.	.			trans	-81.5	130.8	179.1	-179.7	-103.1	0	0	0	110.3	K378 E383 N386	K378-Y381 WeakPolarHBondContact O-CB 3.39Å; K378-Y381 PolarHBondContact O-N 2.93Å; Y381-E383 WeakPolarHBondContact CE1-OE2 3.28Å; Y381-N386 PolarHBondContact OH-OD1 3.49Å
382	D	86.9	Confident	88.4	Confident	11 Å²	11	76 Å²	76	6%	0.059	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-107.8	125.2	177.6	-171	-93.9	0	0	0	110.2	E384 I385 N386 E387 P847 K848	D382-E384 WeakPolarHBondContact OD1-CB 3.33Å; D382-E384 PolarHBondContact OD1-N 3.47Å; D382-E384 VanDerWaalsContact OD1-N 3.12Å; D382-I385 HydrophobicContact CB-CB 4.49Å; D382-I385 PolarHBondContact OD1-N 2.93Å; D382-N386 VanDerWaalsContact O-CA 3.31Å; D382-N386 WeakPolarHBondContact O-CA 3.47Å; D382-N386 PolarHBondContact O-N 3.37Å; D382-E387 PolarHBondContact N-O 2.85Å; D382-P847 HydrophobicContact CB-CB 3.87Å; D382-P847 HydrophobicContact CB-CG 3.79Å; D382-K848 WeakPolarHBondContact OD2-CE 3.46Å; D382-K848 VanDerWaalsContact OD2-CG 3.23Å; D382-K848 WeakPolarHBondContact OD2-CG 3.18Å
383	E	88.8	Confident	87.7	Confident	158 Å²	158	74.2 Å²	74.2	74%	0.738	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-29.5	-176.1	-163.9	73.2	-158.9	0	0	112	Y381	Y381-E383 WeakPolarHBondContact CE1-OE2 3.28Å
384	E	82.3	Confident	87.1	Confident	158 Å²	158	71.3 Å²	71.3	74%	0.738	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-44	-178.2	-57.9	175.8	159.3	0	0	111.3	D382 K848	D382-E384 WeakPolarHBondContact OD1-CB 3.33Å; D382-E384 PolarHBondContact OD1-N 3.47Å; D382-E384 VanDerWaalsContact OD1-N 3.12Å; E384-K848 IonicContact OE2-NZ 2.81Å; E384-K848 PolarHBondContact OE2-NZ 2.86Å
385	I	76.6	Confident	86.5	Confident	57 Å²	57	72.5 Å²	72.5	29%	0.292	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-19	-179.1	-57.3	173.8	0	0	0	111.1	D382 E387 P847	D382-I385 HydrophobicContact CB-CB 4.49Å; D382-I385 PolarHBondContact OD1-N 2.93Å; I385-E387 HydrophobicContact CG2-CB 3.98Å; I385-E387 HydrophobicContact CG2-CG 4.04Å; I385-E387 PolarHBondContact O-N 2.83Å; I385-P847 HydrophobicContact CD1-CB 4.12Å
386	N	83.6	Confident	86.4	Confident	113 Å²	113	70.2 Å²	70.2	60%	0.604	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	34	-174.8	-168.7	11.7	0	0	0	112.7	Y381 D382	Y381-N386 PolarHBondContact OH-OD1 3.49Å; D382-N386 VanDerWaalsContact O-CA 3.31Å; D382-N386 WeakPolarHBondContact O-CA 3.47Å; D382-N386 PolarHBondContact O-N 3.37Å
387	E	80	Confident	86.3	Confident	121 Å²	121	61.4 Å²	61.4	57%	0.565	31%	0.309	S	S	*	.	B	Isolated β-bridge	trans	-132	148.2	179.6	-67.2	-176.5	171.7	0	0	110.5	D382 I385	D382-E387 PolarHBondContact N-O 2.85Å; I385-E387 HydrophobicContact CG2-CB 3.98Å; I385-E387 HydrophobicContact CG2-CG 4.04Å; I385-E387 PolarHBondContact O-N 2.83Å
388	G	87.4	Confident	86.2	Confident	33 Å²	33	60.1 Å²	60.1	34%	0.34	30%	0.302	S	S	.	.			trans	-107.5	-172.8	175.6	0	0	0	0	0	112.8
389	A	89.1	Confident	86.1	Confident	4 Å²	4	51.7 Å²	51.7	3%	0.033	27%	0.266	C	S	.	.			trans	-66.4	136.3	174.7	0	0	0	0	0	112.1	I374 S375 F380 S845 V846	I374-A389 HydrophobicContact CG2-CB 3.97Å; S375-A389 WeakPolarHBondContact CA-O 3.39Å; S375-A389 PolarHBondContact OG-O 3.46Å; F380-A389 HydrophobicContact CB-CB 3.68Å; F380-A389 HydrophobicContact CD2-CB 3.86Å; F380-A389 HydrophobicContact CG-CB 3.96Å; A389-S845 VanDerWaalsContact CA-O 3.28Å; A389-S845 WeakPolarHBondContact CA-O 3.27Å; A389-V846 HydrophobicContact CB-CG1 4.39Å
390	L	85.8	Confident	86.1	Confident	90 Å²	90	47.2 Å²	47.2	47%	0.471	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	137.1	175.4	-171.1	74.5	0	0	0	110.3	N392 Y844 S845	L390-N392 WeakPolarHBondContact CD2-OD1 3.4Å; L390-Y844 CarbonylContact O-C 3.55Å; L390-Y844 WeakPolarHBondContact O-CA 3.36Å; L390-S845 PolarHBondContact N-O 3Å; L390-S845 PolarHBondContact O-N 2.62Å
391	V	87.1	Confident	86.1	Confident	29 Å²	29	47.2 Å²	47.2	18%	0.176	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	108.9	174.2	-174.3	0	0	0	0	109.4	I374 T393 Y844	I374-V391 HydrophobicContact CB-CG2 3.93Å; I374-V391 HydrophobicContact CD1-CG2 4.34Å; I374-V391 HydrophobicContact CG2-CG2 3.97Å; V391-T393 WeakPolarHBondContact CG1-O 3.45Å; V391-Y844 HydrophobicContact CB-CD1 4.39Å; V391-Y844 HydrophobicContact CB-CE1 4.49Å; V391-Y844 HydrophobicContact CG1-CD1 3.95Å; V391-Y844 HydrophobicContact CG1-CE1 3.65Å; V391-Y844 HydrophobicContact CG2-CD1 4.05Å; V391-Y844 HydrophobicContact CG2-CE1 4.25Å
392	N	80.1	Confident	86.1	Confident	51 Å²	51	42.6 Å²	42.6	27%	0.273	22%	0.224	S	C	.	.	S	Bend	trans	-86.3	-27.7	178.9	-66.2	-46.3	0	0	0	112.7	L390 A839 S842 D843	L390-N392 WeakPolarHBondContact CD2-OD1 3.4Å; N392-A839 PolarHBondContact ND2-O 3.1Å; N392-S842 WeakPolarHBondContact CB-O 3.48Å; N392-S842 PolarHBondContact ND2-O 3.15Å; N392-D843 WeakPolarHBondContact CB-O 3.44Å; N392-D843 PolarHBondContact N-O 2.8Å
393	T	78.4	Confident	86.3	Confident	29 Å²	29	42.1 Å²	42.1	18%	0.178	22%	0.221	C	C	.	.			trans	-128.5	118.2	-178	-57	0	0	0	0	109.9	V391 D395 L396 D843	V391-T393 WeakPolarHBondContact CG1-O 3.45Å; T393-D395 HydrophobicContact CG2-CB 4.09Å; T393-L396 HydrophobicContact CG2-CD1 4.19Å; T393-L396 HydrophobicContact CG2-CG 4.17Å; T393-D843 PolarHBondContact N-O 2.96Å; T393-D843 PolarHBondContact OG1-OD1 3.01Å
394	S	81.6	Confident	86.4	Confident	8 Å²	8	36.7 Å²	36.7	6%	0.056	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-80.6	-15.2	177.6	60.7	0	0	0	0	113.8	K105 E109 K367 L396 N397	K105-S394 WeakPolarHBondContact CE-OG 3.5Å; K105-S394 PolarHBondContact NZ-OG 3.1Å; K105-S394 VanDerWaalsContact NZ-OG 3.13Å; E109-S394 PolarHBondContact OE1-OG 3.39Å; K367-S394 WeakPolarHBondContact CB-O 3.29Å; S394-L396 PolarHBondContact O-N 3.24Å; S394-N397 PolarHBondContact O-ND2 3.45Å
395	D	82.3	Confident	86.9	Confident	26 Å²	26	30 Å²	30	14%	0.139	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-77.9	-11.7	-168.9	-66.9	-18.9	0	0	0	115	K105 K367 T393	K105-D395 IonicContact NZ-OD1 3.25Å; K105-D395 PolarHBondContact NZ-OD1 3.02Å; K367-D395 PolarHBondContact NZ-O 3.29Å; T393-D395 HydrophobicContact CG2-CB 4.09Å
396	L	88.3	Confident	87.8	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.01	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-115.1	7.9	-167.3	-63.2	174.3	0	0	0	114.9	K280 T393 S394 E398 E399 D843 Y844	K280-L396 HydrophobicContact CB-CD1 3.93Å; K280-L396 HydrophobicContact CB-CD2 4.01Å; K280-L396 HydrophobicContact CD-CD1 4.03Å; T393-L396 HydrophobicContact CG2-CD1 4.19Å; T393-L396 HydrophobicContact CG2-CG 4.17Å; S394-L396 PolarHBondContact O-N 3.24Å; L396-E398 PolarHBondContact O-N 3.27Å; L396-E398 VanDerWaalsContact O-N 3.15Å; L396-E399 HydrophobicContact CB-CB 4.49Å; L396-E399 VanDerWaalsContact O-CB 3.27Å; L396-E399 WeakPolarHBondContact O-CB 3.31Å; L396-E399 PolarHBondContact O-N 2.78Å; L396-D843 HydrophobicContact CD1-CB 4.08Å; L396-Y844 HydrophobicContact CB-CE2 4.4Å; L396-Y844 PolarHBondContact O-OH 3.02Å
397	N	91.6	Very high	88.3	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-36.6	-170.9	-66.2	-15.8	0	0	0	112.8	K367 S394 E399 Y844 Y863	K367-N397 PolarHBondContact O-ND2 3.37Å; S394-N397 PolarHBondContact O-ND2 3.45Å; N397-E399 VanDerWaalsContact C-N 3.33Å; N397-Y844 WeakPolarHBondContact CA-OH 3.35Å; N397-Y844 PolarHBondContact N-OH 2.7Å; N397-Y844 WeakPolarHBondContact OD1-CE1 3.41Å; N397-Y844 PolarHBondContact OD1-OH 2.94Å; N397-Y863 HydrophobicContact CB-CD2 3.88Å; N397-Y863 HydrophobicContact CB-CE2 4.31Å; N397-Y863 HydrophobicContact CB-CG 4.04Å; N397-Y863 WeakPolarHBondContact O-CB 3.32Å
398	E	91.4	Very high	89	Confident	1 Å²	1	16.2 Å²	16.2	1%	0.005	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-21.1	177.7	71.4	-84	-159.3	0	0	114.4	S282 V284 K367 L396 L400 G401 I867	S282-E398 WeakPolarHBondContact CB-OE1 3.13Å; S282-E398 WeakPolarHBondContact OG-CG 3.5Å; S282-E398 PolarHBondContact OG-OE1 2.79Å; S282-E398 VanDerWaalsContact OG-OE1 3.13Å; V284-E398 HydrophobicContact CB-CG 3.93Å; V284-E398 HydrophobicContact CG2-CB 4.41Å; V284-E398 HydrophobicContact CG2-CG 3.72Å; K367-E398 VanDerWaalsContact CE-CD 3.48Å; K367-E398 WeakPolarHBondContact CE-OE1 3.49Å; K367-E398 VanDerWaalsContact CE-OE2 3.22Å; K367-E398 WeakPolarHBondContact CE-OE2 3.27Å; K367-E398 IonicContact NZ-OE1 2.71Å; K367-E398 PolarHBondContact NZ-OE1 2.76Å; K367-E398 IonicContact NZ-OE2 2.58Å; K367-E398 PolarHBondContact NZ-OE2 3.1Å; L396-E398 PolarHBondContact O-N 3.27Å; L396-E398 VanDerWaalsContact O-N 3.15Å; E398-L400 VanDerWaalsContact C-N 3.31Å; E398-G401 PolarHBondContact O-N 2.88Å; E398-I867 HydrophobicContact CB-CB 4.43Å; E398-I867 HydrophobicContact CB-CD1 4.29Å; E398-I867 HydrophobicContact CB-CG2 3.58Å; E398-I867 HydrophobicContact CG-CD1 4.07Å; E398-I867 HydrophobicContact CG-CG2 4.1Å
399	E	91.6	Very high	89.1	Confident	2 Å²	2	15 Å²	15	1%	0.009	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-73.9	-27.3	-178.5	-158.6	71.8	-174	0	0	111.1	S282 A283 L396 N397 G401 Q402 I810 V829	S282-E399 VanDerWaalsContact CA-OE2 3.24Å; S282-E399 WeakPolarHBondContact CA-OE2 3.39Å; S282-E399 VanDerWaalsContact CB-OE2 3.32Å; S282-E399 WeakPolarHBondContact CB-OE2 3.5Å; S282-E399 PolarHBondContact OG-OE2 3.19Å; A283-E399 WeakPolarHBondContact CB-OE1 3.39Å; A283-E399 PolarHBondContact N-OE1 2.93Å; A283-E399 PolarHBondContact N-OE2 3.26Å; L396-E399 HydrophobicContact CB-CB 4.49Å; L396-E399 VanDerWaalsContact O-CB 3.27Å; L396-E399 WeakPolarHBondContact O-CB 3.31Å; L396-E399 PolarHBondContact O-N 2.78Å; N397-E399 VanDerWaalsContact C-N 3.33Å; E399-G401 PolarHBondContact O-N 2.88Å; E399-Q402 PolarHBondContact O-N 3.09Å; E399-I810 HydrophobicContact CG-CG2 3.94Å; E399-I810 WeakPolarHBondContact OE1-CD1 3.4Å; E399-I810 WeakPolarHBondContact OE1-CG1 3.34Å; E399-V829 HydrophobicContact CB-CG2 3.8Å; E399-V829 HydrophobicContact CG-CG2 3.69Å
400	L	92.6	Very high	89	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-54.9	-34.1	174.5	-71.3	169.4	0	0	0	112.3	I374 E398 Q402 L812 V829 Y844 L855 L856 Y939	I374-L400 HydrophobicContact CD1-CD1 4.31Å; E398-L400 VanDerWaalsContact C-N 3.31Å; L400-Q402 VanDerWaalsContact C-N 3.27Å; L400-Q402 PolarHBondContact O-N 3.45Å; L400-L812 HydrophobicContact CD2-CD1 4.49Å; L400-V829 HydrophobicContact CD2-CG1 3.78Å; L400-Y844 HydrophobicContact CD1-CD1 4.49Å; L400-Y844 HydrophobicContact CD1-CD2 4.39Å; L400-Y844 HydrophobicContact CD1-CE1 4.03Å; L400-Y844 HydrophobicContact CD1-CE2 3.91Å; L400-Y844 HydrophobicContact CD2-CD2 4.04Å; L400-Y844 HydrophobicContact CD2-CE2 3.96Å; L400-Y844 HydrophobicContact CG-CE2 3.97Å; L400-L855 HydrophobicContact CD1-CD1 4.09Å; L400-L855 HydrophobicContact CD1-CG 4.39Å; L400-L855 HydrophobicContact CD2-CD2 4.45Å; L400-L855 HydrophobicContact CD2-CG 4.45Å; L400-L856 HydrophobicContact CB-CD2 4.21Å; L400-L856 HydrophobicContact CD2-CD2 3.77Å; L400-L856 WeakPolarHBondContact O-CD2 3.37Å; L400-Y939 PolarHBondContact O-OH 3.36Å
401	G	90.6	Very high	88.6	Confident	0 Å²	0	12 Å²	12	0%	0	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-83.1	3.4	178.8	0	0	0	0	0	115.1	E398 E399 G860 Y939 I942	E398-G401 PolarHBondContact O-N 2.88Å; E399-G401 PolarHBondContact O-N 2.88Å; G401-G860 VanDerWaalsContact CA-O 3.25Å; G401-G860 WeakPolarHBondContact CA-O 3.37Å; G401-G860 PolarHBondContact N-O 3.05Å; G401-Y939 PolarHBondContact O-OH 2.64Å; G401-I942 WeakPolarHBondContact O-CG2 3.47Å
402	Q	91.4	Very high	88	Confident	2 Å²	2	10.9 Å²	10.9	1%	0.009	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-123.6	3.2	-173.8	-66.8	-64.2	-71.2	0	0	113.5	E399 L400 I810 Y864 Y939 I942	E399-Q402 PolarHBondContact O-N 3.09Å; L400-Q402 VanDerWaalsContact C-N 3.27Å; L400-Q402 PolarHBondContact O-N 3.45Å; Q402-I810 HydrophobicContact CB-CD1 3.38Å; Q402-I810 HydrophobicContact CG-CD1 4.43Å; Q402-I810 WeakPolarHBondContact O-CB 3.42Å; Q402-I810 WeakPolarHBondContact O-CD1 3.34Å; Q402-Y864 VanDerWaalsContact CD-CD2 3.4Å; Q402-Y864 HydrophobicContact CG-CD2 3.39Å; Q402-Y864 HydrophobicContact CG-CE2 3.68Å; Q402-Y864 HydrophobicContact CG-CG 4.12Å; Q402-Y864 VanDerWaalsContact NE2-CD2 3.3Å; Q402-Y939 PolarHBondContact N-OH 3.07Å; Q402-I942 PolarHBondContact NE2-O 3.48Å
403	V	92.8	Very high	88.2	Confident	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.048	C	C	.	.			trans	-56.9	138.3	177.2	179.6	0	0	0	0	110.1	Y405 V406 L668 I810 L812 L856 Y939	V403-Y405 WeakPolarHBondContact CG1-O 3.28Å; V403-V406 HydrophobicContact CG1-CG2 3.88Å; V403-L668 HydrophobicContact CB-CD2 4.45Å; V403-L668 HydrophobicContact CG1-CD2 4.34Å; V403-L668 WeakPolarHBondContact O-CD2 3.33Å; V403-I810 HydrophobicContact CG2-CG2 4.38Å; V403-L812 HydrophobicContact CB-CB 4.38Å; V403-L812 HydrophobicContact CG1-CB 3.51Å; V403-L812 HydrophobicContact CG1-CD1 4.42Å; V403-L812 HydrophobicContact CG2-CB 3.89Å; V403-L812 HydrophobicContact CG2-CD1 3.79Å; V403-L856 HydrophobicContact CG2-CD2 4.28Å; V403-Y939 PolarHBondContact N-OH 2.76Å; V403-Y939 PolarHBondContact O-OH 2.95Å
404	D	89.9	Confident	88.7	Confident	45 Å²	45	7.1 Å²	7.1	24%	0.241	4%	0.04	C	C	.	.			trans	-116.3	-36.7	173.9	-65.7	-49.3	0	0	0	111.7	K669 P809 I810	D404-K669 PolarHBondContact O-N 2.7Å; D404-P809 HydrophobicContact CB-CB 4.21Å; D404-I810 PolarHBondContact N-O 2.89Å; D404-I810 PolarHBondContact OD2-N 3.5Å
405	Y	92.6	Very high	88.8	Confident	18 Å²	18	6.8 Å²	6.8	7%	0.071	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	133.7	178.3	-72.8	-98.7	0	0	0	110.5	V403 K669 W671 V802 P809 I810 L812	V403-Y405 WeakPolarHBondContact CG1-O 3.28Å; Y405-K669 WeakPolarHBondContact CA-O 3.47Å; Y405-K669 HydrophobicContact CD1-CB 3.73Å; Y405-K669 HydrophobicContact CD1-CD 4.22Å; Y405-K669 HydrophobicContact CE1-CB 3.83Å; Y405-K669 HydrophobicContact CE1-CD 3.46Å; Y405-K669 VanDerWaalsContact CE1-CD 3.46Å; Y405-K669 HydrophobicContact CE1-CG 4.29Å; Y405-K669 HydrophobicContact CE2-CD 4.44Å; Y405-K669 HydrophobicContact CG-CB 4.38Å; Y405-K669 PolarHBondContact OH-NZ 3.22Å; Y405-W671 AromaticContact CD1-CE2 3.92Å; Y405-W671 HydrophobicContact CD1-CZ2 4.12Å; Y405-W671 AromaticContact CD1-NE1 3.89Å; Y405-W671 AromaticContact CE1-CE2 3.85Å; Y405-W671 AromaticContact CE1-CZ2 3.69Å; Y405-W671 HydrophobicContact CE1-CZ2 3.69Å; Y405-W671 AromaticContact CE1-NE1 3.87Å; Y405-V802 HydrophobicContact CD1-CG1 4.14Å; Y405-V802 HydrophobicContact CD2-CG1 4Å; Y405-V802 HydrophobicContact CE1-CG1 4.33Å; Y405-V802 HydrophobicContact CE2-CG1 4.19Å; Y405-V802 HydrophobicContact CG-CG1 3.98Å; Y405-P809 HydrophobicContact CD2-CB 3.76Å; Y405-P809 HydrophobicContact CD2-CG 4.13Å; Y405-P809 HydrophobicContact CE2-CB 3.74Å; Y405-P809 HydrophobicContact CE2-CG 3.96Å; Y405-I810 PolarHBondContact N-O 2.92Å; Y405-I810 VanDerWaalsContact N-O 3.14Å; Y405-L812 PolarHBondContact O-N 3.35Å
406	V	95.3	Very high	88.6	Confident	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	117.2	174.8	177.3	0	0	0	0	108.3	V403 L668 K669 V670 W671 L812 L852	V403-V406 HydrophobicContact CG1-CG2 3.88Å; V406-L668 HydrophobicContact CG2-CD1 4.34Å; V406-K669 PolarHBondContact N-O 3.18Å; V406-V670 HydrophobicContact CB-CG2 4.4Å; V406-V670 WeakPolarHBondContact O-CA 3.45Å; V406-W671 PolarHBondContact O-N 3.37Å; V406-L812 CarbonylContact C-O 3.59Å; V406-L812 WeakPolarHBondContact CA-O 3.5Å; V406-L812 HydrophobicContact CG1-CD2 3.95Å; V406-L812 HydrophobicContact CG2-CD2 4.46Å; V406-L852 HydrophobicContact CG1-CD2 4.48Å
407	F	95.6	Very high	87.8	Confident	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	117.7	170.6	-57.1	-68.2	0	0	0	108.8	W671 L673 I798 V799 V802 T811 L812 S813 I814 M823	F407-W671 WeakPolarHBondContact CA-O 3.22Å; F407-W671 HydrophobicContact CD1-CB 3.76Å; F407-W671 HydrophobicContact CD1-CD2 4.46Å; F407-W671 HydrophobicContact CD1-CE3 4.24Å; F407-W671 HydrophobicContact CD1-CG 4.35Å; F407-W671 HydrophobicContact CE1-CB 4.07Å; F407-W671 AromaticContact CE1-CD2 3.88Å; F407-W671 HydrophobicContact CE1-CD2 3.88Å; F407-W671 AromaticContact CE1-CE3 3.52Å; F407-W671 HydrophobicContact CE1-CE3 3.52Å; F407-W671 HydrophobicContact CE1-CG 4.17Å; F407-W671 HydrophobicContact CE1-CZ3 4.14Å; F407-L673 HydrophobicContact CB-CD1 4.15Å; F407-L673 HydrophobicContact CD1-CD1 3.87Å; F407-L673 HydrophobicContact CD1-CG 4.3Å; F407-L673 HydrophobicContact CG-CD1 4.21Å; F407-I798 HydrophobicContact CE1-CG2 4.08Å; F407-V799 HydrophobicContact CD2-CB 4.36Å; F407-V799 HydrophobicContact CD2-CG1 4.28Å; F407-V799 HydrophobicContact CD2-CG2 3.53Å; F407-V799 HydrophobicContact CE2-CB 4.13Å; F407-V799 HydrophobicContact CE2-CG1 4.03Å; F407-V799 HydrophobicContact CE2-CG2 3.74Å; F407-V799 HydrophobicContact CG-CG2 3.98Å; F407-V799 HydrophobicContact CZ-CG2 4.4Å; F407-V802 HydrophobicContact CE1-CG2 4.38Å; F407-V802 HydrophobicContact CZ-CB 3.88Å; F407-V802 HydrophobicContact CZ-CG1 4.06Å; F407-V802 HydrophobicContact CZ-CG2 3.89Å; F407-T811 HydrophobicContact CE2-CG2 3.67Å; F407-T811 HydrophobicContact CZ-CG2 4.28Å; F407-L812 WeakPolarHBondContact CD2-O 3.45Å; F407-L812 PolarHBondContact N-O 3.36Å; F407-S813 CarbonylContact O-C 3.58Å; F407-S813 VanDerWaalsContact O-CA 3.25Å; F407-S813 WeakPolarHBondContact O-CA 3.46Å; F407-I814 PolarHBondContact O-N 3.43Å; F407-M823 HydrophobicContact CB-SD 3.74Å
408	T	93.3	Very high	87.3	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	146.1	176.8	-174.7	0	0	0	0	110.1	L414 V670 W671 V672 L673	T408-L414 HydrophobicContact CG2-CD1 4.22Å; T408-L414 HydrophobicContact CG2-CD2 4.49Å; T408-V670 HydrophobicContact CG2-CG1 4.14Å; T408-W671 PolarHBondContact N-O 3.21Å; T408-V672 HydrophobicContact CG2-CB 4.37Å; T408-V672 HydrophobicContact CG2-CG2 3.75Å; T408-V672 CarbonylContact O-C 3.52Å; T408-V672 WeakPolarHBondContact O-CA 3.29Å; T408-L673 PolarHBondContact O-N 3.2Å
409	D	89.4	Confident	86.8	Confident	9 Å²	9	14.3 Å²	14.3	5%	0.048	8%	0.079	C	C	.	.			trans	-75.7	175.6	160.5	-166	61.5	0	0	0	110.3	T411 T413 L414 K795 I814 D820	D409-T411 PolarHBondContact OD2-N 2.91Å; D409-T413 HydrophobicContact CB-CG2 4.14Å; D409-T413 WeakPolarHBondContact CB-OG1 3.24Å; D409-T413 PolarHBondContact O-OG1 3.42Å; D409-L414 WeakPolarHBondContact O-CG 3.33Å; D409-K795 IonicContact OD1-NZ 2.7Å; D409-K795 PolarHBondContact OD1-NZ 2.71Å; D409-I814 PolarHBondContact N-O 3.07Å; D409-D820 WeakPolarHBondContact CB-OD2 3.28Å
410	K	86.6	Confident	86.5	Confident	1 Å²	1	16.7 Å²	16.7	0%	0.004	9%	0.09	C	C	.	.	S	Bend	trans	-105.3	-50.7	177.2	-175.4	-114.5	90	175.3	0	111.2	T413 L414 T415 D650 V672 T674 D676 T684	K410-T413 PolarHBondContact N-OG1 3.45Å; K410-L414 PolarHBondContact O-N 2.9Å; K410-T415 PolarHBondContact O-N 2.83Å; K410-T415 PolarHBondContact O-OG1 2.75Å; K410-D650 IonicContact NZ-OD2 3.4Å; K410-D650 PolarHBondContact NZ-OD2 3.49Å; K410-V672 HydrophobicContact CB-CG1 4.11Å; K410-T674 HydrophobicContact CB-CG2 4.33Å; K410-D676 HydrophobicContact CD-CB 4.46Å; K410-D676 WeakPolarHBondContact CD-OD2 3.44Å; K410-D676 WeakPolarHBondContact CE-OD2 3.07Å; K410-D676 IonicContact NZ-OD2 2.65Å; K410-D676 PolarHBondContact NZ-OD2 2.87Å; K410-T684 HydrophobicContact CD-CG2 4.33Å; K410-T684 HydrophobicContact CG-CG2 3.87Å
411	T	78.4	Confident	86.2	Confident	30 Å²	30	17 Å²	17	18%	0.184	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	132.3	-170.8	-55.7	0	0	0	0	107.9	D409 T413 T415 D676	D409-T411 PolarHBondContact OD2-N 2.91Å; T411-T413 PolarHBondContact O-N 2.76Å; T411-T413 PolarHBondContact O-OG1 2.65Å; T411-T415 WeakPolarHBondContact CA-OG1 3.45Å; T411-D676 PolarHBondContact OG1-OD1 3.25Å; T411-D676 PolarHBondContact OG1-OD2 2.81Å; T411-D676 VanDerWaalsContact OG1-OD2 3.09Å
412	G	75	Confident	85.9	Confident	5 Å²	5	18.1 Å²	18.1	5%	0.052	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	2.6	-178.9	0	0	0	0	0	115.6	T415 D816 K833	G412-T415 CarbonylContact C-O 3.57Å; G412-T415 VanDerWaalsContact C-O 3.32Å; G412-T415 VanDerWaalsContact CA-O 3.28Å; G412-T415 WeakPolarHBondContact CA-O 3.4Å; G412-T415 PolarHBondContact N-OG1 3.15Å; G412-D816 WeakPolarHBondContact CA-OD2 3.37Å; G412-D816 WeakPolarHBondContact O-CB 2.86Å; G412-K833 WeakPolarHBondContact O-CD 3.4Å; G412-K833 WeakPolarHBondContact O-CE 3.37Å; G412-K833 PolarHBondContact O-NZ 2.77Å
413	T	84.4	Confident	85.7	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-65.6	170.6	39.8	0	0	0	0	111.9	D409 K410 T411 T415 Q653 D816 K833	D409-T413 HydrophobicContact CB-CG2 4.14Å; D409-T413 WeakPolarHBondContact CB-OG1 3.24Å; D409-T413 PolarHBondContact O-OG1 3.42Å; K410-T413 PolarHBondContact N-OG1 3.45Å; T411-T413 PolarHBondContact O-N 2.76Å; T411-T413 PolarHBondContact O-OG1 2.65Å; T413-T415 VanDerWaalsContact C-N 3.34Å; T413-Q653 WeakPolarHBondContact O-CG 3.13Å; T413-Q653 PolarHBondContact O-OE1 2.76Å; T413-D816 HydrophobicContact CG2-CB 4.03Å; T413-K833 VanDerWaalsContact CA-NZ 3.35Å; T413-K833 HydrophobicContact CG2-CD 4.26Å; T413-K833 PolarHBondContact O-NZ 3.46Å
414	L	87.4	Confident	85.6	Confident	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-26	174	-62.8	178.5	0	0	0	112.4	T408 D409 K410 L652 Q653 I660 V672 F849	T408-L414 HydrophobicContact CG2-CD1 4.22Å; T408-L414 HydrophobicContact CG2-CD2 4.49Å; D409-L414 WeakPolarHBondContact O-CG 3.33Å; K410-L414 PolarHBondContact O-N 2.9Å; L414-L652 WeakPolarHBondContact O-CA 3.47Å; L414-Q653 PolarHBondContact O-N 3.07Å; L414-I660 HydrophobicContact CD1-CD1 4.44Å; L414-I660 HydrophobicContact CD2-CD1 3.78Å; L414-V672 HydrophobicContact CD1-CG2 4.28Å; L414-F849 HydrophobicContact CD2-CD1 4.2Å; L414-F849 HydrophobicContact CD2-CD2 4.17Å; L414-F849 HydrophobicContact CD2-CE1 3.78Å; L414-F849 HydrophobicContact CD2-CE2 3.75Å; L414-F849 HydrophobicContact CD2-CG 4.38Å; L414-F849 HydrophobicContact CD2-CZ 3.54Å
415	T	84.1	Confident	85.5	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	156.6	178.7	50.4	0	0	0	0	110.5	K410 T411 G412 T413 N417 D650 K651 L652 T684	K410-T415 PolarHBondContact O-N 2.83Å; K410-T415 PolarHBondContact O-OG1 2.75Å; T411-T415 WeakPolarHBondContact CA-OG1 3.45Å; G412-T415 CarbonylContact C-O 3.57Å; G412-T415 VanDerWaalsContact C-O 3.32Å; G412-T415 VanDerWaalsContact CA-O 3.28Å; G412-T415 WeakPolarHBondContact CA-O 3.4Å; G412-T415 PolarHBondContact N-OG1 3.15Å; T413-T415 VanDerWaalsContact C-N 3.34Å; T415-N417 VanDerWaalsContact C-N 3.3Å; T415-D650 WeakPolarHBondContact CB-OD1 3.46Å; T415-D650 HydrophobicContact CG2-CB 4.37Å; T415-D650 PolarHBondContact OG1-OD2 3.18Å; T415-K651 CarbonylContact C-O 3.49Å; T415-K651 WeakPolarHBondContact CA-O 3.08Å; T415-K651 WeakPolarHBondContact CB-O 3.26Å; T415-L652 HydrophobicContact CG2-CD2 4.05Å; T415-T684 HydrophobicContact CG2-CG2 4.31Å
416	E	78.4	Confident	85.4	Confident	63 Å²	63	15.7 Å²	15.7	29%	0.294	9%	0.086	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	0.8	178	-59.9	-171.5	158.7	0	0	112.5	S418 K651 Q653	E416-S418 PolarHBondContact O-N 2.88Å; E416-K651 PolarHBondContact N-O 3.34Å; E416-Q653 HydrophobicContact CG-CB 4.15Å; E416-Q653 HydrophobicContact CG-CG 3.66Å; E416-Q653 WeakPolarHBondContact OE1-CA 3.48Å
417	N	72.4	Confident	84.8	Confident	52 Å²	52	18 Å²	18	28%	0.278	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	52.8	25.4	-174.5	-164.6	35.4	0	0	0	112.6	T415	T415-N417 VanDerWaalsContact C-N 3.3Å
418	S	79.6	Confident	83.9	Confident	54 Å²	54	18.8 Å²	18.8	38%	0.378	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	105.3	174	-174.8	0	0	0	0	107.6	E416 K651	E416-S418 PolarHBondContact O-N 2.88Å; S418-K651 PolarHBondContact O-N 3.12Å
419	M	81.6	Confident	83.5	Confident	18 Å²	18	23.5 Å²	23.5	9%	0.089	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	127.1	-176.7	-63.3	-60.8	165.1	0	0	109.9	P496 A500 R594 V648 E649 D650	M419-P496 HydrophobicContact CB-CB 4.39Å; M419-P496 HydrophobicContact CG-CB 3.85Å; M419-A500 HydrophobicContact CB-CB 3.75Å; M419-A500 VanDerWaalsContact O-CB 3.25Å; M419-A500 WeakPolarHBondContact O-CB 3.43Å; M419-R594 VanDerWaalsContact CE-CZ 3.49Å; M419-V648 HydrophobicContact CB-CG1 3.72Å; M419-V648 HydrophobicContact CG-CG1 4.39Å; M419-V648 HydrophobicContact SD-CG1 4.27Å; M419-E649 WeakPolarHBondContact CA-O 3.42Å; M419-D650 HydrophobicContact CE-CB 3.85Å; M419-D650 VanDerWaalsContact CE-CG 3.46Å; M419-D650 HydrophobicContact SD-CB 3.7Å
420	E	84.2	Confident	83.1	Confident	52 Å²	52	26.5 Å²	26.5	24%	0.243	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.7	176.7	-71.1	-166.8	-175.9	0	0	112.2	I422 V648 E649 K651	E420-I422 HydrophobicContact CB-CD1 4.08Å; E420-I422 PolarHBondContact O-N 3.25Å; E420-V648 CarbonylContact O-C 3.42Å; E420-V648 WeakPolarHBondContact O-CA 3.36Å; E420-E649 PolarHBondContact N-O 3.43Å; E420-E649 PolarHBondContact O-N 2.85Å; E420-K651 HydrophobicContact CG-CD 4.45Å; E420-K651 VanDerWaalsContact OE1-CE 3.3Å; E420-K651 WeakPolarHBondContact OE1-CE 3.13Å; E420-K651 IonicContact OE1-NZ 2.75Å; E420-K651 PolarHBondContact OE1-NZ 2.84Å; E420-K651 WeakPolarHBondContact OE2-CE 3.25Å; E420-K651 IonicContact OE2-NZ 3.1Å; E420-K651 PolarHBondContact OE2-NZ 2.93Å
421	F	87.4	Confident	82.7	Confident	7 Å²	7	28.1 Å²	28.1	3%	0.031	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	113	170.9	-173.3	-86.6	0	0	0	109.6	C424 L466 L501 R507 Y508 T646	F421-C424 HydrophobicContact CE1-CB 4.43Å; F421-C424 HydrophobicContact CE2-CB 4.43Å; F421-C424 HydrophobicContact CZ-CB 3.66Å; F421-L466 HydrophobicContact CE2-CD1 4.41Å; F421-L501 HydrophobicContact CD2-CD2 3.79Å; F421-L501 HydrophobicContact CE2-CD2 3.96Å; F421-R507 PolarHBondContact O-NH1 3.01Å; F421-Y508 HydrophobicContact CD1-CE2 4.24Å; F421-Y508 HydrophobicContact CE1-CD2 4.45Å; F421-Y508 AromaticContact CE1-CE2 3.65Å; F421-Y508 HydrophobicContact CE1-CE2 3.65Å; F421-T646 HydrophobicContact CE2-CG2 3.71Å; F421-T646 HydrophobicContact CZ-CG2 4.41Å
422	I	84.6	Confident	82.4	Confident	23 Å²	23	32.9 Å²	32.9	12%	0.118	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-51.9	-176.7	-57.4	-55.1	0	0	0	110.8	E420 G433 A647 E649	E420-I422 HydrophobicContact CB-CD1 4.08Å; E420-I422 PolarHBondContact O-N 3.25Å; I422-G433 PolarHBondContact O-N 3Å; I422-G433 VanDerWaalsContact O-N 3.16Å; I422-A647 PolarHBondContact N-O 3.11Å; I422-E649 HydrophobicContact CD1-CB 4.12Å; I422-E649 HydrophobicContact CG1-CB 3.53Å
423	E	87.3	Confident	81.4	Confident	6 Å²	6	34.7 Å²	34.7	3%	0.028	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	158.7	-174.8	62	174.1	-120.4	0	0	112.4	K430 Y431 K432 N588 A647	E423-K430 WeakPolarHBondContact OE1-CE 3.46Å; E423-K430 IonicContact OE1-NZ 2.57Å; E423-K430 PolarHBondContact OE1-NZ 3.34Å; E423-K430 WeakPolarHBondContact OE2-CE 3.49Å; E423-K430 IonicContact OE2-NZ 3.65Å; E423-K430 PolarHBondContact OE2-NZ 3.37Å; E423-Y431 VanDerWaalsContact CA-O 3.3Å; E423-Y431 WeakPolarHBondContact CA-O 3.4Å; E423-Y431 VanDerWaalsContact CB-O 3.26Å; E423-Y431 WeakPolarHBondContact CB-O 3.44Å; E423-K432 HydrophobicContact CB-CG 4.38Å; E423-N588 VanDerWaalsContact OE1-CG 3.23Å; E423-N588 PolarHBondContact OE1-ND2 2.71Å; E423-N588 PolarHBondContact OE1-OD1 3.46Å; E423-A647 HydrophobicContact CG-CB 3.73Å; E423-A647 PolarHBondContact O-N 3.41Å
424	C	89.6	Confident	79.6	Confident	4 Å²	4	39.2 Å²	39.2	3%	0.027	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	157.8	167.7	54.8	0	0	0	0	111.4	F421 Y431 F462 A645 T646	F421-C424 HydrophobicContact CE1-CB 4.43Å; F421-C424 HydrophobicContact CE2-CB 4.43Å; F421-C424 HydrophobicContact CZ-CB 3.66Å; C424-Y431 PolarHBondContact N-O 3.39Å; C424-Y431 VanDerWaalsContact N-O 3.07Å; C424-Y431 PolarHBondContact O-N 2.94Å; C424-F462 HydrophobicContact CB-CE1 3.8Å; C424-F462 HydrophobicContact CB-CZ 3.83Å; C424-A645 CarbonylContact C-O 3.32Å; C424-A645 WeakPolarHBondContact CA-O 3.45Å; C424-T646 HydrophobicContact CB-CG2 4.43Å
425	C	89.3	Confident	77.2	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.007	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	113.7	172.5	178.5	0	0	0	0	107.6	G428 H429 H584 G644 A645	C425-G428 VanDerWaalsContact SG-CA 3.58Å; C425-H429 CarbonylContact C-O 3.55Å; C425-H429 VanDerWaalsContact CA-O 3.26Å; C425-H429 WeakPolarHBondContact CA-O 3.38Å; C425-H584 HydrophobicContact CB-CB 4.05Å; C425-G644 CarbonylContact O-C 3.52Å; C425-G644 WeakPolarHBondContact O-CA 3.39Å; C425-A645 PolarHBondContact N-O 3.46Å; C425-A645 PolarHBondContact O-N 3.49Å
426	I	89.6	Confident	74.8	Confident	3 Å²	3	50.2 Å²	50.2	2%	0.015	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	118.9	178.5	-50.9	174.4	0	0	0	107	G428 H429 Y431 E459 F462 I643	I426-G428 VanDerWaalsContact C-N 3.28Å; I426-G428 PolarHBondContact O-N 3.09Å; I426-H429 PolarHBondContact N-O 2.73Å; I426-H429 WeakPolarHBondContact O-CA 3.41Å; I426-H429 WeakPolarHBondContact O-CB 3.38Å; I426-H429 PolarHBondContact O-N 3.15Å; I426-Y431 HydrophobicContact CB-CD2 4.3Å; I426-Y431 HydrophobicContact CB-CE2 3.83Å; I426-Y431 HydrophobicContact CD1-CD2 4Å; I426-Y431 HydrophobicContact CD1-CE2 3.9Å; I426-Y431 HydrophobicContact CG1-CD2 4.02Å; I426-Y431 HydrophobicContact CG1-CE2 3.99Å; I426-E459 HydrophobicContact CD1-CG 4.13Å; I426-F462 HydrophobicContact CD1-CB 4.07Å; I426-F462 HydrophobicContact CD1-CD1 3.53Å; I426-F462 HydrophobicContact CD1-CE1 4.05Å; I426-F462 HydrophobicContact CD1-CG 3.85Å; I426-F462 HydrophobicContact CG1-CB 4.4Å; I426-F462 HydrophobicContact CG1-CD1 3.8Å; I426-F462 HydrophobicContact CG1-CD2 4.19Å; I426-F462 HydrophobicContact CG1-CE1 3.99Å; I426-F462 HydrophobicContact CG1-CE2 4.37Å; I426-F462 HydrophobicContact CG1-CG 3.87Å; I426-F462 HydrophobicContact CG1-CZ 4.25Å; I426-F462 HydrophobicContact CG2-CB 4.3Å; I426-F462 HydrophobicContact CG2-CG 4.48Å; I426-I643 HydrophobicContact CG2-CG2 4.42Å
427	D	83.1	Confident	72.8	Confident	48 Å²	48	56.9 Å²	56.9	26%	0.257	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	44.4	-179.4	-146.1	8.8	0	0	0	113.8	H429 R458 I643	D427-H429 PolarHBondContact O-N 3.36Å; D427-H429 PolarHBondContact O-ND1 3.02Å; D427-R458 WeakPolarHBondContact OD2-CD 3.24Å; D427-R458 IonicContact OD2-CZ 2.69Å; D427-R458 IonicContact OD2-NE 3.59Å; D427-R458 IonicContact OD2-NH1 3.76Å; D427-I643 PolarHBondContact N-O 3.13Å
428	G	77	Confident	71	Confident	18 Å²	18	60.1 Å²	60.1	19%	0.186	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	-4.3	-176	0	0	0	0	0	116	C425 I426	C425-G428 VanDerWaalsContact SG-CA 3.58Å; I426-G428 VanDerWaalsContact C-N 3.28Å; I426-G428 PolarHBondContact O-N 3.09Å
429	H	83.3	Confident	68.7	Low	98 Å²	98	63 Å²	63	45%	0.454	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	130.6	179.2	-62.2	79.3	0	0	0	111.1	C425 I426 D427 Y431 V454	C425-H429 CarbonylContact C-O 3.55Å; C425-H429 VanDerWaalsContact CA-O 3.26Å; C425-H429 WeakPolarHBondContact CA-O 3.38Å; I426-H429 PolarHBondContact N-O 2.73Å; I426-H429 WeakPolarHBondContact O-CA 3.41Å; I426-H429 WeakPolarHBondContact O-CB 3.38Å; I426-H429 PolarHBondContact O-N 3.15Å; D427-H429 PolarHBondContact O-N 3.36Å; D427-H429 PolarHBondContact O-ND1 3.02Å; H429-Y431 HydrophobicContact CB-CE2 4.04Å; H429-Y431 WeakPolarHBondContact O-CD2 3.43Å; H429-V454 HydrophobicContact CB-CG2 4.35Å
430	K	81.8	Confident	66.6	Low	73 Å²	73	65.5 Å²	65.5	32%	0.317	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.1	-174.7	-179.3	167	168.8	144.8	0	111.6	E423	E423-K430 WeakPolarHBondContact OE1-CE 3.46Å; E423-K430 IonicContact OE1-NZ 2.57Å; E423-K430 PolarHBondContact OE1-NZ 3.34Å; E423-K430 WeakPolarHBondContact OE2-CE 3.49Å; E423-K430 IonicContact OE2-NZ 3.65Å; E423-K430 PolarHBondContact OE2-NZ 3.37Å
431	Y	78.7	Confident	64.4	Low	35 Å²	35	71 Å²	71	14%	0.137	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.1	175	-63.1	-100	0	0	0	108.9	E423 C424 I426 H429 V454	E423-Y431 VanDerWaalsContact CA-O 3.3Å; E423-Y431 WeakPolarHBondContact CA-O 3.4Å; E423-Y431 VanDerWaalsContact CB-O 3.26Å; E423-Y431 WeakPolarHBondContact CB-O 3.44Å; C424-Y431 PolarHBondContact N-O 3.39Å; C424-Y431 VanDerWaalsContact N-O 3.07Å; C424-Y431 PolarHBondContact O-N 2.94Å; I426-Y431 HydrophobicContact CB-CD2 4.3Å; I426-Y431 HydrophobicContact CB-CE2 3.83Å; I426-Y431 HydrophobicContact CD1-CD2 4Å; I426-Y431 HydrophobicContact CD1-CE2 3.9Å; I426-Y431 HydrophobicContact CG1-CD2 4.02Å; I426-Y431 HydrophobicContact CG1-CE2 3.99Å; H429-Y431 HydrophobicContact CB-CE2 4.04Å; H429-Y431 WeakPolarHBondContact O-CD2 3.43Å; Y431-V454 WeakPolarHBondContact OH-CG2 3.16Å
432	K	70.7	Confident	62.2	Low	130 Å²	130	75.7 Å²	75.7	57%	0.565	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.4	176.9	-74.2	-169.7	174.9	-168.7	0	109.8	E423 V434	E423-K432 HydrophobicContact CB-CG 4.38Å; K432-V434 VanDerWaalsContact C-N 3.35Å
433	G	54.9	Low	60.1	Low	43 Å²	43	81.9 Å²	81.9	44%	0.443	46%	0.457	S	S	.	.			trans	-87.8	7.6	177.4	0	0	0	0	0	115.1	I422 Y508	I422-G433 PolarHBondContact O-N 3Å; I422-G433 VanDerWaalsContact O-N 3.16Å; G433-Y508 PolarHBondContact N-OH 3.2Å
434	V	46.6	Very low	57.8	Low	95 Å²	95	88.2 Å²	88.2	58%	0.576	50%	0.496	S	S	*	.			trans	-122.2	118.5	-171	-168.2	0	0	0	0	111.5	K432 Q436	K432-V434 VanDerWaalsContact C-N 3.35Å; V434-Q436 PolarHBondContact O-N 3.37Å
435	T	37.4	Very low	55.2	Low	104 Å²	104	94.5 Å²	94.5	64%	0.638	53%	0.529	S	S	*	.			trans	-63	110.8	156.9	39.7	0	0	0	0	108.9
436	Q	32.8	Very low	52.8	Low	128 Å²	128	98.3 Å²	98.3	60%	0.598	57%	0.569	S	S	*	*			trans	-76.4	123.8	170.8	-164.7	154.7	-6	0	0	107.9	V434 V438 D439	V434-Q436 PolarHBondContact O-N 3.37Å; Q436-V438 HydrophobicContact CG-CB 4.4Å; Q436-V438 HydrophobicContact CG-CG2 4.21Å; Q436-V438 PolarHBondContact O-N 3.05Å; Q436-D439 PolarHBondContact O-N 3.25Å
437	E	37	Very low	49.9	Very low	203 Å²	203	102.9 Å²	102.9	95%	0.949	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	-4.7	-179.3	-70	-170.3	158.1	0	0	114.6
438	V	35	Very low	47.9	Very low	119 Å²	119	106.5 Å²	106.5	72%	0.721	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-17.8	-176.4	-166.5	0	0	0	0	112.7	Q436 G440	Q436-V438 HydrophobicContact CG-CB 4.4Å; Q436-V438 HydrophobicContact CG-CG2 4.21Å; Q436-V438 PolarHBondContact O-N 3.05Å; V438-G440 PolarHBondContact O-N 3.44Å
439	D	31.6	Very low	45.9	Very low	115 Å²	115	110.3 Å²	110.3	62%	0.615	64%	0.636	S	S	*	*			trans	-100.5	43.1	-178.9	-75.3	-24.3	0	0	0	113.1	Q436 L441	Q436-D439 PolarHBondContact O-N 3.25Å; D439-L441 PolarHBondContact O-N 3.06Å
440	G	36.8	Very low	43.8	Very low	71 Å²	71	116 Å²	116	73%	0.732	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	13.5	-179.6	0	0	0	0	0	116.7	V438	V438-G440 PolarHBondContact O-N 3.44Å
441	L	37.5	Very low	42	Very low	166 Å²	166	117.3 Å²	117.3	87%	0.869	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	-13.8	179.3	-114.4	97.2	0	0	0	115	D439	D439-L441 PolarHBondContact O-N 3.06Å
442	S	41.3	Very low	40.3	Very low	106 Å²	106	121.5 Å²	121.5	74%	0.741	69%	0.686	S	S	*	*	S	Bend	trans	-102.4	3.8	-173.4	-56.5	0	0	0	0	113.9
443	Q	41.8	Very low	39.2	Very low	154 Å²	154	123.7 Å²	123.7	72%	0.72	70%	0.695	S	S	*	*			trans	-126	40.1	-166.4	-152.6	154.7	21.8	0	0	113.7
444	T	38.8	Very low	39.2	Very low	138 Å²	138	123.1 Å²	123.1	85%	0.847	68%	0.683	S	S	*	*	S	Bend	trans	-113.5	-3	167.2	28.8	0	0	0	0	113.8
445	D	33.5	Very low	39.9	Very low	136 Å²	136	124.2 Å²	124.2	73%	0.727	69%	0.686	S	S	*	*	S	Bend	trans	-136.9	122.1	176	-143.4	-1.4	0	0	0	110.2	T447	D445-T447 PolarHBondContact O-N 3.18Å
446	G	40	Very low	41.5	Very low	82 Å²	82	124.9 Å²	124.9	85%	0.845	68%	0.68	S	S	*	*			trans	-69.4	73.9	-175.1	0	0	0	0	0	112.3
447	T	29.2	Very low	43.6	Very low	99 Å²	99	124.8 Å²	124.8	61%	0.607	68%	0.683	S	S	*	*			trans	-109.5	95.3	168.9	-30.1	0	0	0	0	109.5	D445 T449	D445-T447 PolarHBondContact O-N 3.18Å; T447-T449 HydrophobicContact CG2-CG2 4.44Å; T447-T449 WeakPolarHBondContact CG2-OG1 3.49Å; T447-T449 PolarHBondContact O-N 3.27Å; T447-T449 PolarHBondContact O-OG1 3.48Å
448	L	39.4	Very low	45.8	Very low	123 Å²	123	118 Å²	118	64%	0.644	65%	0.649	S	S	*	*			trans	-68.9	41.4	177.4	-113.8	138.8	0	0	0	112.6	Y450 F451	L448-Y450 VanDerWaalsContact C-N 3.27Å; L448-Y450 PolarHBondContact O-N 3.18Å; L448-F451 HydrophobicContact CD2-CB 3.84Å; L448-F451 HydrophobicContact CD2-CD2 3.37Å; L448-F451 HydrophobicContact CD2-CE2 4.11Å; L448-F451 HydrophobicContact CD2-CG 3.78Å
449	T	35	Very low	48.3	Very low	99 Å²	99	113.1 Å²	113.1	61%	0.607	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	6.2	-170.1	5.3	0	0	0	0	115.6	T447	T447-T449 HydrophobicContact CG2-CG2 4.44Å; T447-T449 WeakPolarHBondContact CG2-OG1 3.49Å; T447-T449 PolarHBondContact O-N 3.27Å; T447-T449 PolarHBondContact O-OG1 3.48Å
450	Y	40.5	Very low	51	Low	216 Å²	216	110 Å²	110	85%	0.847	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-9	174.5	-107.6	-90	0	0	0	114.7	L448	L448-Y450 VanDerWaalsContact C-N 3.27Å; L448-Y450 PolarHBondContact O-N 3.18Å
451	F	43.2	Very low	53.6	Low	101 Å²	101	108 Å²	108	44%	0.443	57%	0.573	S	S	.	*	S	Bend	trans	-89.2	-6.6	-179.1	-90	-86.1	0	0	0	114.8	L448	L448-F451 HydrophobicContact CD2-CB 3.84Å; L448-F451 HydrophobicContact CD2-CD2 3.37Å; L448-F451 HydrophobicContact CD2-CE2 4.11Å; L448-F451 HydrophobicContact CD2-CG 3.78Å
452	D	42.5	Very low	56.2	Low	124 Å²	124	100.2 Å²	100.2	66%	0.663	53%	0.532	S	S	*	.	S	Bend	trans	-102.6	15.3	-170.7	-76.8	-25.7	0	0	0	114.9
453	K	48.3	Very low	58.6	Low	175 Å²	175	95.3 Å²	95.3	76%	0.761	50%	0.497	S	S	*	.	S	Bend	trans	-108.8	-3.2	-177.5	-73.2	-172.7	-179.6	177.5	0	115.9
454	V	55.2	Low	61	Low	31 Å²	31	90.7 Å²	90.7	19%	0.188	47%	0.473	C	S	.	.	S	Bend	trans	-119.2	146.3	-179.2	-177.3	0	0	0	0	109.6	H429 Y431 K456	H429-V454 HydrophobicContact CB-CG2 4.35Å; Y431-V454 WeakPolarHBondContact OH-CG2 3.16Å; V454-K456 PolarHBondContact O-N 3.4Å
455	D	60.7	Low	63.6	Low	119 Å²	119	84.1 Å²	84.1	64%	0.636	43%	0.433	S	S	*	.			trans	-57.6	104.4	170.5	-75.1	-30.1	0	0	0	109.3	N457 R458	D455-N457 PolarHBondContact O-N 3.18Å; D455-R458 PolarHBondContact O-N 2.86Å
456	K	72	Confident	66.4	Low	117 Å²	117	77.9 Å²	77.9	51%	0.509	40%	0.399	S	S	.	.	H	α-helix	trans	-49.1	-29.4	177	-70.5	-169.5	176.9	-177.5	0	112.5	V454 R458 E459 E460	V454-K456 PolarHBondContact O-N 3.4Å; K456-R458 PolarHBondContact O-N 2.75Å; K456-E459 PolarHBondContact O-N 3.49Å; K456-E460 WeakPolarHBondContact O-CG 3.41Å; K456-E460 PolarHBondContact O-N 3.19Å
457	N	77.3	Confident	68.9	Low	127 Å²	127	74 Å²	74	68%	0.679	36%	0.359	S	S	*	.	H	α-helix	trans	-59.9	-39.2	176.2	-65.4	-7.7	0	0	0	113.6	D455 L461	D455-N457 PolarHBondContact O-N 3.18Å; N457-L461 WeakPolarHBondContact O-CB 3.48Å; N457-L461 PolarHBondContact O-N 2.87Å; N457-L461 VanDerWaalsContact O-N 3.11Å
458	R	82.9	Confident	71.9	Confident	60 Å²	60	69.2 Å²	69.2	23%	0.226	33%	0.33	C	S	.	.	H	α-helix	trans	-77.3	-33.5	179.3	-68.1	-165	82.9	128.9	-4.5	112.1	D427 D455 K456 F462 E577 L642	D427-R458 WeakPolarHBondContact OD2-CD 3.24Å; D427-R458 IonicContact OD2-CZ 2.69Å; D427-R458 IonicContact OD2-NE 3.59Å; D427-R458 IonicContact OD2-NH1 3.76Å; D455-R458 PolarHBondContact O-N 2.86Å; K456-R458 PolarHBondContact O-N 2.75Å; R458-F462 WeakPolarHBondContact O-CB 3.18Å; R458-F462 PolarHBondContact O-N 3.12Å; R458-E577 IonicContact CZ-OE1 2.91Å; R458-E577 IonicContact NH1-OE1 2.73Å; R458-E577 IonicContact NH2-OE1 3.79Å; R458-E577 PolarHBondContact NH2-OE1 3.45Å; R458-L642 PolarHBondContact NH2-O 3.3Å
459	E	86.1	Confident	74.5	Confident	16 Å²	16	63.4 Å²	63.4	8%	0.075	30%	0.3	C	S	.	.	H	α-helix	trans	-65.8	-48.3	174.6	-174.6	-177.6	178.2	0	0	111.2	I426 K456 L461 F462 L463	I426-E459 HydrophobicContact CD1-CG 4.13Å; K456-E459 PolarHBondContact O-N 3.49Å; E459-L461 VanDerWaalsContact C-N 3.33Å; E459-L461 PolarHBondContact O-N 2.88Å; E459-F462 WeakPolarHBondContact O-CB 3.46Å; E459-F462 PolarHBondContact O-N 3.35Å; E459-L463 HydrophobicContact CG-CD1 4.4Å; E459-L463 WeakPolarHBondContact O-CG 3.47Å; E459-L463 PolarHBondContact O-N 3.5Å
460	E	88.4	Confident	77.1	Confident	49 Å²	49	58.9 Å²	58.9	23%	0.229	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-42.3	175.4	-72.8	-178.8	-178.4	0	0	111.5	K456 F462 L463 R464 F510	K456-E460 WeakPolarHBondContact O-CG 3.41Å; K456-E460 PolarHBondContact O-N 3.19Å; E460-F462 VanDerWaalsContact C-N 3.34Å; E460-F462 PolarHBondContact O-N 3.48Å; E460-L463 PolarHBondContact O-N 3.36Å; E460-R464 WeakPolarHBondContact O-CB 3.33Å; E460-R464 VanDerWaalsContact O-CG 3.29Å; E460-R464 WeakPolarHBondContact O-CG 3.47Å; E460-R464 PolarHBondContact O-N 3.22Å; E460-F510 HydrophobicContact CB-CZ 4.18Å; E460-F510 HydrophobicContact CG-CE2 4.34Å; E460-F510 HydrophobicContact CG-CZ 4.09Å
461	L	91.3	Very high	79.3	Confident	31 Å²	31	50.9 Å²	50.9	16%	0.162	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-39.3	175.9	-171	72	0	0	0	112.3	N457 E459 R464 A465 F561 F600 I643	N457-L461 WeakPolarHBondContact O-CB 3.48Å; N457-L461 PolarHBondContact O-N 2.87Å; N457-L461 VanDerWaalsContact O-N 3.11Å; E459-L461 VanDerWaalsContact C-N 3.33Å; E459-L461 PolarHBondContact O-N 2.88Å; L461-R464 PolarHBondContact O-N 3.09Å; L461-A465 WeakPolarHBondContact O-CB 3.36Å; L461-A465 PolarHBondContact O-N 2.72Å; L461-F561 HydrophobicContact CD1-CE1 4.11Å; L461-F561 HydrophobicContact CD1-CZ 4.14Å; L461-F561 HydrophobicContact CG-CE1 4.45Å; L461-F600 HydrophobicContact CD2-CD1 3.86Å; L461-F600 HydrophobicContact CD2-CD2 4.17Å; L461-F600 HydrophobicContact CD2-CE1 3.62Å; L461-F600 HydrophobicContact CD2-CE2 3.96Å; L461-F600 HydrophobicContact CD2-CG 4.11Å; L461-F600 HydrophobicContact CD2-CZ 3.67Å; L461-I643 HydrophobicContact CD2-CD1 4.07Å; L461-I643 HydrophobicContact CG-CD1 4.12Å
462	F	92.8	Very high	81.4	Confident	1 Å²	1	46.4 Å²	46.4	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-46.5	175.7	-176.3	-99.5	0	0	0	111.7	C424 I426 R458 E459 E460 A465 L466 V598 I643 T646	C424-F462 HydrophobicContact CB-CE1 3.8Å; C424-F462 HydrophobicContact CB-CZ 3.83Å; I426-F462 HydrophobicContact CD1-CB 4.07Å; I426-F462 HydrophobicContact CD1-CD1 3.53Å; I426-F462 HydrophobicContact CD1-CE1 4.05Å; I426-F462 HydrophobicContact CD1-CG 3.85Å; I426-F462 HydrophobicContact CG1-CB 4.4Å; I426-F462 HydrophobicContact CG1-CD1 3.8Å; I426-F462 HydrophobicContact CG1-CD2 4.19Å; I426-F462 HydrophobicContact CG1-CE1 3.99Å; I426-F462 HydrophobicContact CG1-CE2 4.37Å; I426-F462 HydrophobicContact CG1-CG 3.87Å; I426-F462 HydrophobicContact CG1-CZ 4.25Å; I426-F462 HydrophobicContact CG2-CB 4.3Å; I426-F462 HydrophobicContact CG2-CG 4.48Å; R458-F462 WeakPolarHBondContact O-CB 3.18Å; R458-F462 PolarHBondContact O-N 3.12Å; E459-F462 WeakPolarHBondContact O-CB 3.46Å; E459-F462 PolarHBondContact O-N 3.35Å; E460-F462 VanDerWaalsContact C-N 3.34Å; E460-F462 PolarHBondContact O-N 3.48Å; F462-A465 WeakPolarHBondContact O-CB 3.36Å; F462-A465 PolarHBondContact O-N 3.02Å; F462-L466 HydrophobicContact CD1-CD1 4.04Å; F462-L466 HydrophobicContact CD1-CG 4.48Å; F462-L466 HydrophobicContact CE1-CD1 3.6Å; F462-L466 HydrophobicContact CE1-CG 4.25Å; F462-L466 HydrophobicContact CZ-CD1 4.26Å; F462-L466 WeakPolarHBondContact O-CG 3.37Å; F462-L466 PolarHBondContact O-N 2.99Å; F462-V598 HydrophobicContact CD2-CB 4.41Å; F462-V598 HydrophobicContact CE2-CB 4.03Å; F462-V598 HydrophobicContact CE2-CG2 4.09Å; F462-I643 HydrophobicContact CB-CG2 3.69Å; F462-I643 HydrophobicContact CD2-CB 4.09Å; F462-I643 HydrophobicContact CD2-CG2 3.74Å; F462-I643 HydrophobicContact CG-CG2 4.21Å; F462-T646 HydrophobicContact CE1-CG2 4.18Å; F462-T646 HydrophobicContact CE2-CG2 4.41Å; F462-T646 HydrophobicContact CZ-CG2 3.52Å
463	L	91.5	Very high	83.3	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-66.4	-39.5	178.6	-67.4	172	0	0	0	111.6	E459 E460 A465 L466 C467 A505 Y508 F510	E459-L463 HydrophobicContact CG-CD1 4.4Å; E459-L463 WeakPolarHBondContact O-CG 3.47Å; E459-L463 PolarHBondContact O-N 3.5Å; E460-L463 PolarHBondContact O-N 3.36Å; L463-A465 VanDerWaalsContact C-N 3.35Å; L463-A465 PolarHBondContact O-N 2.85Å; L463-L466 PolarHBondContact O-N 3.15Å; L463-C467 PolarHBondContact O-N 2.93Å; L463-A505 HydrophobicContact CD2-CB 4.48Å; L463-Y508 HydrophobicContact CD2-CG 4.37Å; L463-F510 HydrophobicContact CB-CB 4.17Å; L463-F510 HydrophobicContact CB-CD1 4.29Å; L463-F510 HydrophobicContact CB-CD2 3.68Å; L463-F510 HydrophobicContact CB-CE2 4.07Å; L463-F510 HydrophobicContact CB-CG 3.78Å; L463-F510 HydrophobicContact CD1-CD2 3.5Å; L463-F510 VanDerWaalsContact CD1-CD2 3.5Å; L463-F510 HydrophobicContact CD1-CE2 3.8Å; L463-F510 HydrophobicContact CD1-CG 4.38Å; L463-F510 HydrophobicContact CG-CD2 4.2Å
464	R	92.2	Very high	84.9	Confident	56 Å²	56	38.5 Å²	38.5	21%	0.211	19%	0.189	C	C	.	.	H	α-helix	trans	-58.3	-45.2	170.1	-75	170.9	173	150.4	5.4	111.6	E460 L461 L466 C467 L468 F510 E530 Y532	E460-R464 WeakPolarHBondContact O-CB 3.33Å; E460-R464 VanDerWaalsContact O-CG 3.29Å; E460-R464 WeakPolarHBondContact O-CG 3.47Å; E460-R464 PolarHBondContact O-N 3.22Å; L461-R464 PolarHBondContact O-N 3.09Å; R464-L466 VanDerWaalsContact C-N 3.3Å; R464-L466 PolarHBondContact O-N 2.88Å; R464-C467 PolarHBondContact O-N 3.35Å; R464-C467 VanDerWaalsContact O-N 3.17Å; R464-L468 HydrophobicContact CB-CD1 4.34Å; R464-L468 WeakPolarHBondContact O-CB 3.08Å; R464-L468 VanDerWaalsContact O-CG 3.22Å; R464-L468 WeakPolarHBondContact O-CG 3.37Å; R464-L468 PolarHBondContact O-N 2.91Å; R464-F510 HydrophobicContact CG-CD1 4.38Å; R464-F510 HydrophobicContact CG-CE1 3.81Å; R464-E530 IonicContact CZ-OE1 2.68Å; R464-E530 IonicContact CZ-OE2 3.59Å; R464-E530 IonicContact NE-OE1 2.78Å; R464-E530 IonicContact NE-OE2 2.93Å; R464-E530 PolarHBondContact NE-OE2 2.87Å; R464-E530 IonicContact NH2-OE1 3.07Å; R464-E530 PolarHBondContact NH2-OE1 2.96Å; R464-E530 IonicContact NH2-OE2 3.19Å; R464-E530 PolarHBondContact NH2-OE2 2.82Å; R464-Y532 VanDerWaalsContact CD-OH 3.3Å; R464-Y532 WeakPolarHBondContact CD-OH 2.93Å; R464-Y532 PolarHBondContact NE-OH 3.49Å; R464-Y532 VanDerWaalsContact NE-OH 3.14Å
465	A	93.5	Very high	85.6	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-59.8	-39.8	177.4	0	0	0	0	0	112.2	L461 F462 L463 C469 F561 V598 I643	L461-A465 WeakPolarHBondContact O-CB 3.36Å; L461-A465 PolarHBondContact O-N 2.72Å; F462-A465 WeakPolarHBondContact O-CB 3.36Å; F462-A465 PolarHBondContact O-N 3.02Å; L463-A465 VanDerWaalsContact C-N 3.35Å; L463-A465 PolarHBondContact O-N 2.85Å; A465-C469 VanDerWaalsContact O-CB 3.23Å; A465-C469 WeakPolarHBondContact O-CB 3.42Å; A465-C469 PolarHBondContact O-N 2.96Å; A465-F561 HydrophobicContact CB-CD1 3.37Å; A465-F561 HydrophobicContact CB-CE1 3.65Å; A465-F561 HydrophobicContact CB-CG 4.1Å; A465-V598 HydrophobicContact CB-CG1 3.63Å; A465-I643 HydrophobicContact CB-CD1 4.19Å
466	L	92.8	Very high	85.6	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-67.2	-37	175.5	-67.5	-179.1	0	0	0	113.1	F421 F462 L463 R464 H470 L501 A505 V598 T646	F421-L466 HydrophobicContact CE2-CD1 4.41Å; F462-L466 HydrophobicContact CD1-CD1 4.04Å; F462-L466 HydrophobicContact CD1-CG 4.48Å; F462-L466 HydrophobicContact CE1-CD1 3.6Å; F462-L466 HydrophobicContact CE1-CG 4.25Å; F462-L466 HydrophobicContact CZ-CD1 4.26Å; F462-L466 WeakPolarHBondContact O-CG 3.37Å; F462-L466 PolarHBondContact O-N 2.99Å; L463-L466 PolarHBondContact O-N 3.15Å; R464-L466 VanDerWaalsContact C-N 3.3Å; R464-L466 PolarHBondContact O-N 2.88Å; L466-H470 PolarHBondContact O-CD2 3.41Å; L466-L501 HydrophobicContact CD2-CB 4.45Å; L466-L501 HydrophobicContact CD2-CD1 4.25Å; L466-L501 HydrophobicContact CD2-CD2 4.15Å; L466-A505 HydrophobicContact CB-CB 4.31Å; L466-V598 HydrophobicContact CD2-CG2 4.08Å; L466-T646 HydrophobicContact CD1-CG2 4.26Å; L466-T646 HydrophobicContact CD2-CG2 3.83Å
467	C	92.8	Very high	84.6	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-80.1	-15.3	178.2	-72	0	0	0	0	114.8	L463 R464 H470 A505 V522	L463-C467 PolarHBondContact O-N 2.93Å; R464-C467 PolarHBondContact O-N 3.35Å; R464-C467 VanDerWaalsContact O-N 3.17Å; C467-H470 PolarHBondContact O-CD2 2.97Å; C467-H470 PolarHBondContact O-NE2 2.75Å; C467-A505 VanDerWaalsContact SG-CB 3.51Å; C467-V522 HydrophobicContact CB-CG1 3.94Å; C467-V522 HydrophobicContact CB-CG2 3.89Å
468	L	92.5	Very high	83	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-110.2	-38.2	-175.5	-65.8	170.5	0	0	0	112.6	R464 H470 M520 V522 Y532 V551 F561	R464-L468 HydrophobicContact CB-CD1 4.34Å; R464-L468 WeakPolarHBondContact O-CB 3.08Å; R464-L468 VanDerWaalsContact O-CG 3.22Å; R464-L468 WeakPolarHBondContact O-CG 3.37Å; R464-L468 PolarHBondContact O-N 2.91Å; L468-H470 VanDerWaalsContact C-N 3.31Å; L468-H470 PolarHBondContact O-N 3.07Å; L468-M520 HydrophobicContact CD2-CB 3.92Å; L468-M520 HydrophobicContact CD2-SD 3.99Å; L468-V522 HydrophobicContact CD2-CG2 3.9Å; L468-V522 HydrophobicContact CG-CG2 4.43Å; L468-Y532 HydrophobicContact CD1-CD1 4.04Å; L468-Y532 HydrophobicContact CD1-CD2 3.95Å; L468-Y532 HydrophobicContact CD1-CE1 4.11Å; L468-Y532 HydrophobicContact CD1-CE2 4Å; L468-Y532 HydrophobicContact CD1-CG 3.95Å; L468-Y532 HydrophobicContact CD2-CD2 3.67Å; L468-Y532 HydrophobicContact CD2-CE2 4.36Å; L468-Y532 HydrophobicContact CD2-CG 3.86Å; L468-Y532 HydrophobicContact CG-CD2 4.4Å; L468-V551 HydrophobicContact CD1-CG2 4.4Å; L468-F561 HydrophobicContact CB-CD2 4.26Å; L468-F561 HydrophobicContact CD1-CD2 4.25Å; L468-F561 HydrophobicContact CD1-CE2 3.68Å; L468-F561 HydrophobicContact CD1-CZ 4.43Å
469	C	92.8	Very high	81.4	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.007	23%	0.228	C	C	.	.	S	Bend	trans	-84.7	69.3	-177	-165.9	0	0	0	0	111	A465 V549 F561 K563	A465-C469 VanDerWaalsContact O-CB 3.23Å; A465-C469 WeakPolarHBondContact O-CB 3.42Å; A465-C469 PolarHBondContact O-N 2.96Å; C469-V549 HydrophobicContact CB-CG2 4.41Å; C469-F561 HydrophobicContact CB-CB 3.81Å; C469-F561 PolarHBondContact SG-O 3.47Å; C469-F561 VanDerWaalsContact SG-O 3.34Å; C469-K563 VanDerWaalsContact O-CD 3.29Å; C469-K563 WeakPolarHBondContact O-CD 3.5Å; C469-K563 WeakPolarHBondContact O-CE 3.46Å; C469-K563 PolarHBondContact O-NZ 3.47Å
470	H	90.9	Very high	79.8	Confident	4 Å²	4	48 Å²	48	2%	0.019	26%	0.263	C	S	.	.	S	Bend	trans	-158.7	167.2	177.7	64.9	53.3	0	0	0	113.5	L466 C467 L468 V472 E498 V502 F512	L466-H470 PolarHBondContact O-CD2 3.41Å; C467-H470 PolarHBondContact O-CD2 2.97Å; C467-H470 PolarHBondContact O-NE2 2.75Å; L468-H470 VanDerWaalsContact C-N 3.31Å; L468-H470 PolarHBondContact O-N 3.07Å; H470-V472 HydrophobicContact CB-CG2 4.03Å; H470-V472 PolarHBondContact ND1-N 3.25Å; H470-V472 VanDerWaalsContact ND1-N 3.15Å; H470-E498 HydrophobicContact CB-CB 4.46Å; H470-V502 WeakPolarHBondContact CD2-CG2 3.41Å; H470-V502 WeakPolarHBondContact NE2-CG2 3.39Å; H470-F512 AromaticContact CE1-CD1 3.74Å; H470-F512 AromaticContact CE1-CE1 3.55Å; H470-F512 AromaticContact CE1-CE2 3.91Å; H470-F512 AromaticContact CE1-CG 3.99Å; H470-F512 AromaticContact CE1-CZ 3.64Å; H470-F512 AromaticContact NE2-CD1 3.86Å; H470-F512 AromaticContact NE2-CD2 3.98Å; H470-F512 AromaticContact NE2-CG 3.77Å
471	T	86.2	Confident	77.8	Confident	48 Å²	48	52.1 Å²	52.1	29%	0.294	29%	0.287	S	S	.	.			trans	-103.6	15.5	171.7	57	0	0	0	0	113.4	E473 S493 E498 T537 M547	T471-E473 PolarHBondContact O-N 3.44Å; T471-S493 PolarHBondContact OG1-OG 3.37Å; T471-E498 PolarHBondContact N-OE2 2.94Å; T471-E498 PolarHBondContact OG1-OE2 2.98Å; T471-T537 HydrophobicContact CG2-CG2 4.38Å; T471-M547 HydrophobicContact CG2-CE 3.41Å; T471-M547 VanDerWaalsContact CG2-CE 3.41Å; T471-M547 HydrophobicContact CG2-SD 4.47Å
472	V	86.8	Confident	75.7	Confident	7 Å²	7	54 Å²	54	4%	0.042	31%	0.314	C	S	.	.			trans	-63.5	126.9	178.7	-173.7	0	0	0	0	110.8	H470 Y491 E498 V502 F512	H470-V472 HydrophobicContact CB-CG2 4.03Å; H470-V472 PolarHBondContact ND1-N 3.25Å; H470-V472 VanDerWaalsContact ND1-N 3.15Å; V472-Y491 HydrophobicContact CG1-CD1 3.73Å; V472-Y491 HydrophobicContact CG1-CG 4.05Å; V472-E498 HydrophobicContact CG2-CB 3.81Å; V472-V502 HydrophobicContact CB-CG2 4.37Å; V472-V502 HydrophobicContact CG2-CG2 3.78Å; V472-F512 WeakPolarHBondContact O-CE1 3.46Å
473	E	82.1	Confident	73.5	Confident	90 Å²	90	58.7 Å²	58.7	42%	0.421	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	150	169.4	-68.9	176.7	-167.8	0	0	109.6	Y172 T471 I492	Y172-E473 PolarHBondContact OH-OE1 3.16Å; Y172-E473 PolarHBondContact OH-OE2 3.39Å; T471-E473 PolarHBondContact O-N 3.44Å; E473-I492 PolarHBondContact N-O 2.94Å; E473-I492 PolarHBondContact O-N 3.02Å
474	I	82.5	Confident	71.3	Confident	43 Å²	43	62.5 Å²	62.5	22%	0.221	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	135.2	174.3	58.3	160.9	0	0	0	109.7	T476 Y491 F512 L513	I474-T476 HydrophobicContact CD1-CG2 4.43Å; I474-Y491 HydrophobicContact CG2-CD1 3.74Å; I474-Y491 HydrophobicContact CG2-CE1 3.67Å; I474-F512 HydrophobicContact CG2-CD1 4.06Å; I474-F512 HydrophobicContact CG2-CE1 4.13Å; I474-L513 WeakPolarHBondContact CD1-O 3.47Å
475	K	69.9	Low	69.2	Low	94 Å²	94	69.9 Å²	69.9	41%	0.409	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	105.6	165.3	-170	164.3	178.5	169.1	0	107.9	N477 T490 I492	K475-N477 PolarHBondContact O-N 3.1Å; K475-N477 VanDerWaalsContact O-N 3.12Å; K475-T490 PolarHBondContact N-O 3.22Å; K475-I492 HydrophobicContact CB-CD1 3.75Å; K475-I492 HydrophobicContact CB-CG1 4.42Å; K475-I492 HydrophobicContact CD-CD1 3.71Å; K475-I492 HydrophobicContact CG-CD1 4.35Å
476	T	59.9	Low	67.1	Low	112 Å²	112	72.9 Å²	72.9	69%	0.687	43%	0.434	S	S	*	.			trans	-68.4	103.2	166.9	29.5	0	0	0	0	108	I474	I474-T476 HydrophobicContact CD1-CG2 4.43Å
477	N	52.1	Low	65.3	Low	82 Å²	82	74.7 Å²	74.7	44%	0.439	45%	0.45	S	S	.	.			trans	-77.2	135.2	166.7	-78	-15.8	0	0	0	108.4	K475 A479	K475-N477 PolarHBondContact O-N 3.1Å; K475-N477 VanDerWaalsContact O-N 3.12Å; N477-A479 HydrophobicContact CB-CB 4.24Å; N477-A479 PolarHBondContact O-N 2.83Å
478	D	43.3	Very low	63.6	Low	178 Å²	178	81.3 Å²	81.3	95%	0.952	48%	0.481	S	S	*	.			trans	-68.6	25.2	168.5	-73.6	-32.4	0	0	0	112.7
479	A	49.8	Very low	62.5	Low	68 Å²	68	83.2 Å²	83.2	56%	0.562	49%	0.491	S	S	*	.			trans	-82.3	130.6	176.9	0	0	0	0	0	109.2	N477 D481	N477-A479 HydrophobicContact CB-CB 4.24Å; N477-A479 PolarHBondContact O-N 2.83Å; A479-D481 PolarHBondContact O-N 3.34Å; A479-D481 VanDerWaalsContact O-N 3.14Å
480	V	52.4	Low	61.8	Low	135 Å²	135	85.7 Å²	85.7	82%	0.818	51%	0.506	S	S	*	.			trans	-54.1	117.3	-179.4	-177.3	0	0	0	0	110	G482	V480-G482 PolarHBondContact O-N 2.96Å
481	D	46.4	Very low	61.5	Low	135 Å²	135	86.3 Å²	86.3	72%	0.722	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	100.1	174	-68.4	-45.6	0	0	0	110	A479 A487	A479-D481 PolarHBondContact O-N 3.34Å; A479-D481 VanDerWaalsContact O-N 3.14Å; D481-A487 WeakPolarHBondContact OD1-CB 3.48Å
482	G	46.2	Very low	61.1	Low	72 Å²	72	85.9 Å²	85.9	74%	0.742	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	166.2	-8.5	176.4	0	0	0	0	0	119.3	V480	V480-G482 PolarHBondContact O-N 2.96Å
483	A	45.9	Very low	60.7	Low	99 Å²	99	86 Å²	86	82%	0.818	51%	0.505	S	S	*	.	S	Bend	trans	-93.8	-13.2	-176	0	0	0	0	0	115.4
484	T	47.2	Very low	60	Low	84 Å²	84	84.6 Å²	84.6	52%	0.515	51%	0.505	S	S	.	.	S	Bend	trans	-136.6	153.4	-178.2	36.1	0	0	0	0	110.4	S486	T484-S486 PolarHBondContact O-N 2.93Å
485	E	47.2	Very low	59.5	Low	211 Å²	211	84.1 Å²	84.1	99%	0.986	51%	0.506	S	S	*	.	S	Bend	trans	-58.7	-2.9	-163.3	-72.9	-164.4	153	0	0	117.6
486	S	49.5	Very low	59.8	Low	63 Å²	63	80.9 Å²	80.9	44%	0.441	49%	0.494	S	S	.	.	S	Bend	trans	-163.6	151	161.8	52.4	0	0	0	0	106.2	T484 E488 K506	T484-S486 PolarHBondContact O-N 2.93Å; S486-E488 PolarHBondContact O-N 3.33Å; S486-E488 VanDerWaalsContact O-N 3.08Å; S486-K506 PolarHBondContact OG-NZ 3.44Å
487	A	54.6	Low	60.8	Low	43 Å²	43	77.1 Å²	77.1	36%	0.355	47%	0.47	S	S	.	.			trans	-38.3	120.9	176.6	0	0	0	0	0	110.6	D481 L489	D481-A487 WeakPolarHBondContact OD1-CB 3.48Å; A487-L489 PolarHBondContact O-N 3.39Å
488	E	57.2	Low	62.3	Low	138 Å²	138	73.9 Å²	73.9	65%	0.645	45%	0.452	S	S	*	.			trans	-74.6	74.1	-172	-163.7	177	-178.5	0	0	109.6	S486 T490	S486-E488 PolarHBondContact O-N 3.33Å; S486-E488 VanDerWaalsContact O-N 3.08Å; E488-T490 PolarHBondContact O-N 3.47Å
489	L	70.3	Confident	64.4	Low	41 Å²	41	66.9 Å²	66.9	22%	0.215	41%	0.414	C	S	.	.			trans	-65.4	102.7	173.7	-68	171.9	0	0	0	108	A487 Y491 T511 L513	A487-L489 PolarHBondContact O-N 3.39Å; L489-Y491 HydrophobicContact CB-CE1 4.38Å; L489-Y491 HydrophobicContact CB-CE2 4.41Å; L489-Y491 PolarHBondContact O-N 2.88Å; L489-T511 HydrophobicContact CD1-CG2 3.98Å; L489-L513 HydrophobicContact CD1-CD2 4.11Å
490	T	77.4	Confident	66.2	Low	52 Å²	52	63.8 Å²	63.8	32%	0.319	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	107.7	176.1	-50.2	0	0	0	0	108.2	K475 E488	K475-T490 PolarHBondContact N-O 3.22Å; E488-T490 PolarHBondContact O-N 3.47Å
491	Y	84.8	Confident	68	Low	17 Å²	17	57.5 Å²	57.5	7%	0.067	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	129.9	175.7	-63.3	-63	0	0	0	110.4	V472 I474 L489 V502 K503 F512	V472-Y491 HydrophobicContact CG1-CD1 3.73Å; V472-Y491 HydrophobicContact CG1-CG 4.05Å; I474-Y491 HydrophobicContact CG2-CD1 3.74Å; I474-Y491 HydrophobicContact CG2-CE1 3.67Å; L489-Y491 HydrophobicContact CB-CE1 4.38Å; L489-Y491 HydrophobicContact CB-CE2 4.41Å; L489-Y491 PolarHBondContact O-N 2.88Å; Y491-V502 HydrophobicContact CD1-CG1 4.05Å; Y491-V502 HydrophobicContact CD2-CG1 4.36Å; Y491-V502 HydrophobicContact CE1-CG1 3.79Å; Y491-V502 HydrophobicContact CE2-CG1 4.12Å; Y491-V502 HydrophobicContact CG-CG1 4.34Å; Y491-K503 HydrophobicContact CD2-CG 4.09Å; Y491-K503 HydrophobicContact CE2-CG 4.45Å; Y491-F512 HydrophobicContact CE1-CB 4.48Å; Y491-F512 HydrophobicContact CE1-CD1 4.21Å; Y491-F512 PolarHBondContact OH-O 3.27Å
492	I	77.9	Confident	70.2	Confident	40 Å²	40	51.1 Å²	51.1	21%	0.205	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.1	177.5	-52.8	179.2	0	0	0	107.9	E473 K475	E473-I492 PolarHBondContact N-O 2.94Å; E473-I492 PolarHBondContact O-N 3.02Å; K475-I492 HydrophobicContact CB-CD1 3.75Å; K475-I492 HydrophobicContact CB-CG1 4.42Å; K475-I492 HydrophobicContact CD-CD1 3.71Å; K475-I492 HydrophobicContact CG-CD1 4.35Å
493	S	78.6	Confident	72.2	Confident	10 Å²	10	53.2 Å²	53.2	7%	0.07	31%	0.305	C	S	.	.			trans	-147.5	163.8	173.4	-176.7	0	0	0	0	110.2	T471 S495 E498	T471-S493 PolarHBondContact OG1-OG 3.37Å; S493-S495 PolarHBondContact O-N 3.06Å; S493-S495 PolarHBondContact OG-N 3.47Å; S493-E498 PolarHBondContact OG-OE2 3.32Å
494	S	66.2	Low	74.2	Confident	59 Å²	59	48.5 Å²	48.5	41%	0.413	27%	0.266	S	S	.	.	S	Bend	trans	-69.5	-20.3	170.9	63.9	0	0	0	0	112.9	N183	N183-S494 VanDerWaalsContact CB-O 3.3Å; N183-S494 WeakPolarHBondContact CB-O 3.09Å; N183-S494 PolarHBondContact ND2-O 3.2Å
495	S	72.8	Confident	76.2	Confident	34 Å²	34	44.5 Å²	44.5	24%	0.238	24%	0.242	C	C	.	.			trans	-124.8	122.3	179.5	174	0	0	0	0	111.8	S493 D497 E498	S493-S495 PolarHBondContact O-N 3.06Å; S493-S495 PolarHBondContact OG-N 3.47Å; S495-D497 PolarHBondContact O-N 3.34Å; S495-D497 PolarHBondContact OG-N 3.28Å; S495-E498 PolarHBondContact O-N 3.34Å
496	P	75.9	Confident	78.1	Confident	25 Å²	25	37.3 Å²	37.3	16%	0.162	21%	0.207	C	C	.	.	H	α-helix	trans	-60.9	-28.9	174.6	-23.8	33.8	0	0	0	113.4	M419 E498 I499 A500	M419-P496 HydrophobicContact CB-CB 4.39Å; M419-P496 HydrophobicContact CG-CB 3.85Å; P496-E498 VanDerWaalsContact C-N 3.26Å; P496-E498 PolarHBondContact O-N 2.92Å; P496-I499 PolarHBondContact O-N 2.97Å; P496-A500 PolarHBondContact O-N 3.31Å
497	D	80.5	Confident	79.8	Confident	33 Å²	33	41.8 Å²	41.8	18%	0.176	21%	0.214	C	C	.	.	H	α-helix	trans	-58.6	-41.6	177	-60.9	-29.3	0	0	0	109.9	S495 A500 L501 R594	S495-D497 PolarHBondContact O-N 3.34Å; S495-D497 PolarHBondContact OG-N 3.28Å; D497-A500 PolarHBondContact O-N 3.36Å; D497-L501 VanDerWaalsContact O-CG 3.31Å; D497-L501 WeakPolarHBondContact O-CG 3.5Å; D497-L501 PolarHBondContact O-N 2.86Å; D497-R594 IonicContact OD1-CZ 2.63Å; D497-R594 IonicContact OD1-NH1 2.62Å; D497-R594 PolarHBondContact OD1-NH1 3.48Å; D497-R594 IonicContact OD2-NH1 2.8Å; D497-R594 PolarHBondContact OD2-NH1 3.36Å
498	E	84.7	Confident	81.1	Confident	14 Å²	14	41.5 Å²	41.5	7%	0.065	21%	0.205	C	C	.	.	H	α-helix	trans	-68.7	-39.2	178.6	-55.2	-162.9	138.2	0	0	112.7	H470 T471 V472 S493 S495 P496 A500 L501 V502 K563	H470-E498 HydrophobicContact CB-CB 4.46Å; T471-E498 PolarHBondContact N-OE2 2.94Å; T471-E498 PolarHBondContact OG1-OE2 2.98Å; V472-E498 HydrophobicContact CG2-CB 3.81Å; S493-E498 PolarHBondContact OG-OE2 3.32Å; S495-E498 PolarHBondContact O-N 3.34Å; P496-E498 VanDerWaalsContact C-N 3.26Å; P496-E498 PolarHBondContact O-N 2.92Å; E498-A500 VanDerWaalsContact C-N 3.27Å; E498-A500 PolarHBondContact O-N 3.14Å; E498-L501 PolarHBondContact O-N 3.32Å; E498-V502 WeakPolarHBondContact O-CG2 3.5Å; E498-V502 PolarHBondContact O-N 2.88Å; E498-K563 WeakPolarHBondContact OE1-CE 3.45Å; E498-K563 IonicContact OE1-NZ 3.64Å; E498-K563 PolarHBondContact OE1-NZ 3.31Å
499	I	87.2	Confident	82.3	Confident	31 Å²	31	36.3 Å²	36.3	16%	0.159	19%	0.188	C	C	.	.	H	α-helix	trans	-61.1	-43.1	176.9	-59.3	175.7	0	0	0	109.4	P496 V502 K503	P496-I499 PolarHBondContact O-N 2.97Å; I499-V502 PolarHBondContact O-N 3.06Å; I499-K503 HydrophobicContact CG2-CD 4.07Å; I499-K503 HydrophobicContact CG2-CG 4.47Å; I499-K503 WeakPolarHBondContact O-CB 3.16Å; I499-K503 VanDerWaalsContact O-CG 3.29Å; I499-K503 WeakPolarHBondContact O-CG 3.18Å; I499-K503 PolarHBondContact O-N 3.48Å
500	A	87.5	Confident	83.3	Confident	4 Å²	4	34.4 Å²	34.4	3%	0.033	18%	0.178	C	C	.	.	H	α-helix	trans	-62.3	-42.6	176.3	0	0	0	0	0	111.9	M419 P496 D497 E498 G504 V648	M419-A500 HydrophobicContact CB-CB 3.75Å; M419-A500 VanDerWaalsContact O-CB 3.25Å; M419-A500 WeakPolarHBondContact O-CB 3.43Å; P496-A500 PolarHBondContact O-N 3.31Å; D497-A500 PolarHBondContact O-N 3.36Å; E498-A500 VanDerWaalsContact C-N 3.27Å; E498-A500 PolarHBondContact O-N 3.14Å; A500-G504 PolarHBondContact O-N 2.99Å; A500-V648 HydrophobicContact CB-CG1 4.07Å
501	L	90.8	Very high	83.9	Confident	3 Å²	3	32.6 Å²	32.6	2%	0.016	17%	0.167	C	C	.	.	H	α-helix	trans	-62.7	-46.2	176.8	-68.7	178.8	0	0	0	112.5	F421 L466 D497 E498 G504 A505 K563 L596 T646 V648	F421-L501 HydrophobicContact CD2-CD2 3.79Å; F421-L501 HydrophobicContact CE2-CD2 3.96Å; L466-L501 HydrophobicContact CD2-CB 4.45Å; L466-L501 HydrophobicContact CD2-CD1 4.25Å; L466-L501 HydrophobicContact CD2-CD2 4.15Å; D497-L501 VanDerWaalsContact O-CG 3.31Å; D497-L501 WeakPolarHBondContact O-CG 3.5Å; D497-L501 PolarHBondContact O-N 2.86Å; E498-L501 PolarHBondContact O-N 3.32Å; L501-G504 CarbonylContact O-C 3.54Å; L501-G504 WeakPolarHBondContact O-CA 3.42Å; L501-G504 PolarHBondContact O-N 3.1Å; L501-G504 VanDerWaalsContact O-N 3.14Å; L501-A505 PolarHBondContact O-N 3.32Å; L501-K563 HydrophobicContact CD1-CD 4.35Å; L501-L596 HydrophobicContact CD1-CD1 4Å; L501-T646 HydrophobicContact CD2-CG2 3.86Å; L501-V648 HydrophobicContact CD2-CG2 3.93Å
502	V	91.1	Very high	84.2	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.006	16%	0.164	C	C	.	.	H	α-helix	trans	-67	-40.9	179.2	175.3	0	0	0	0	111.3	H470 V472 Y491 E498 I499 G504 A505 K506 F512	H470-V502 WeakPolarHBondContact CD2-CG2 3.41Å; H470-V502 WeakPolarHBondContact NE2-CG2 3.39Å; V472-V502 HydrophobicContact CB-CG2 4.37Å; V472-V502 HydrophobicContact CG2-CG2 3.78Å; Y491-V502 HydrophobicContact CD1-CG1 4.05Å; Y491-V502 HydrophobicContact CD2-CG1 4.36Å; Y491-V502 HydrophobicContact CE1-CG1 3.79Å; Y491-V502 HydrophobicContact CE2-CG1 4.12Å; Y491-V502 HydrophobicContact CG-CG1 4.34Å; E498-V502 WeakPolarHBondContact O-CG2 3.5Å; E498-V502 PolarHBondContact O-N 2.88Å; I499-V502 PolarHBondContact O-N 3.06Å; V502-G504 VanDerWaalsContact C-N 3.27Å; V502-G504 PolarHBondContact O-N 3.26Å; V502-A505 PolarHBondContact O-N 2.94Å; V502-K506 PolarHBondContact O-N 3.42Å; V502-F512 HydrophobicContact CG1-CB 4Å
503	K	88.5	Confident	84.7	Confident	115 Å²	115	31.8 Å²	31.8	50%	0.5	16%	0.164	S	C	.	.	H	α-helix	trans	-61.8	-37.5	170.9	-74.3	179	178.3	-179.4	0	111.5	Y491 I499 K506 R507	Y491-K503 HydrophobicContact CD2-CG 4.09Å; Y491-K503 HydrophobicContact CE2-CG 4.45Å; I499-K503 HydrophobicContact CG2-CD 4.07Å; I499-K503 HydrophobicContact CG2-CG 4.47Å; I499-K503 WeakPolarHBondContact O-CB 3.16Å; I499-K503 VanDerWaalsContact O-CG 3.29Å; I499-K503 WeakPolarHBondContact O-CG 3.18Å; I499-K503 PolarHBondContact O-N 3.48Å; K503-K506 WeakPolarHBondContact O-CB 3.5Å; K503-K506 PolarHBondContact O-N 2.94Å; K503-R507 WeakPolarHBondContact O-CG 3.19Å; K503-R507 PolarHBondContact O-N 3.3Å
504	G	88	Confident	85	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-59.6	-51.7	172.8	0	0	0	0	0	111.5	A500 L501 V502 K506 R507 Y508	A500-G504 PolarHBondContact O-N 2.99Å; L501-G504 CarbonylContact O-C 3.54Å; L501-G504 WeakPolarHBondContact O-CA 3.42Å; L501-G504 PolarHBondContact O-N 3.1Å; L501-G504 VanDerWaalsContact O-N 3.14Å; V502-G504 VanDerWaalsContact C-N 3.27Å; V502-G504 PolarHBondContact O-N 3.26Å; G504-K506 VanDerWaalsContact C-N 3.28Å; G504-K506 PolarHBondContact O-N 3Å; G504-R507 WeakPolarHBondContact O-CB 3.19Å; G504-R507 PolarHBondContact O-N 3.44Å; G504-Y508 WeakPolarHBondContact O-CD2 3.38Å; G504-Y508 PolarHBondContact O-N 3.47Å
505	A	89.4	Confident	85.7	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-58.1	-39.9	176.9	0	0	0	0	0	112.3	L463 L466 C467 L501 V502 R507 Y508 G509 F510	L463-A505 HydrophobicContact CD2-CB 4.48Å; L466-A505 HydrophobicContact CB-CB 4.31Å; C467-A505 VanDerWaalsContact SG-CB 3.51Å; L501-A505 PolarHBondContact O-N 3.32Å; V502-A505 PolarHBondContact O-N 2.94Å; A505-R507 VanDerWaalsContact C-N 3.27Å; A505-R507 PolarHBondContact O-N 3.35Å; A505-Y508 CarbonylContact O-C 3.52Å; A505-Y508 PolarHBondContact O-N 3.21Å; A505-G509 PolarHBondContact O-N 3.25Å; A505-F510 CarbonylContact C-O 3.59Å; A505-F510 PolarHBondContact O-N 3.28Å; A505-F510 VanDerWaalsContact O-N 3.09Å; A505-F510 VanDerWaalsContact O-O 3.1Å
506	K	87.4	Confident	86	Confident	60 Å²	60	38.5 Å²	38.5	26%	0.261	18%	0.18	S	C	.	.	H	α-helix	trans	-57.3	-38.8	173.9	-176.2	178.1	177	-178.7	0	112.1	S486 V502 K503 G504 Y508 G509 F510 T511	S486-K506 PolarHBondContact OG-NZ 3.44Å; V502-K506 PolarHBondContact O-N 3.42Å; K503-K506 WeakPolarHBondContact O-CB 3.5Å; K503-K506 PolarHBondContact O-N 2.94Å; G504-K506 VanDerWaalsContact C-N 3.28Å; G504-K506 PolarHBondContact O-N 3Å; K506-Y508 VanDerWaalsContact C-N 3.29Å; K506-Y508 PolarHBondContact O-N 3.48Å; K506-G509 PolarHBondContact O-N 3.07Å; K506-F510 WeakPolarHBondContact CA-O 3.5Å; K506-F510 PolarHBondContact N-O 3.19Å; K506-T511 HydrophobicContact CD-CG2 4.4Å; K506-T511 HydrophobicContact CG-CG2 4.38Å
507	R	84	Confident	86.1	Confident	156 Å²	156	44.6 Å²	44.6	59%	0.589	21%	0.212	S	C	*	.	H	α-helix	trans	-65.3	-29.9	176.8	-67.2	175.4	-178.7	175.8	-1.4	112.9	F421 K503 G504 A505 G509	F421-R507 PolarHBondContact O-NH1 3.01Å; K503-R507 WeakPolarHBondContact O-CG 3.19Å; K503-R507 PolarHBondContact O-N 3.3Å; G504-R507 WeakPolarHBondContact O-CB 3.19Å; G504-R507 PolarHBondContact O-N 3.44Å; A505-R507 VanDerWaalsContact C-N 3.27Å; A505-R507 PolarHBondContact O-N 3.35Å; R507-G509 VanDerWaalsContact C-N 3.33Å
508	Y	82.4	Confident	86	Confident	38 Å²	38	44.6 Å²	44.6	15%	0.149	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	13.1	176.8	-69.2	-84	0	0	0	113.5	F421 G433 L463 G504 A505 K506 Q525	F421-Y508 HydrophobicContact CD1-CE2 4.24Å; F421-Y508 HydrophobicContact CE1-CD2 4.45Å; F421-Y508 AromaticContact CE1-CE2 3.65Å; F421-Y508 HydrophobicContact CE1-CE2 3.65Å; G433-Y508 PolarHBondContact N-OH 3.2Å; L463-Y508 HydrophobicContact CD2-CG 4.37Å; G504-Y508 WeakPolarHBondContact O-CD2 3.38Å; G504-Y508 PolarHBondContact O-N 3.47Å; A505-Y508 CarbonylContact O-C 3.52Å; A505-Y508 PolarHBondContact O-N 3.21Å; K506-Y508 VanDerWaalsContact C-N 3.29Å; K506-Y508 PolarHBondContact O-N 3.48Å; Y508-Q525 PolarHBondContact O-NE2 3.48Å; Y508-Q525 VanDerWaalsContact O-NE2 3.11Å
509	G	83.9	Confident	86.1	Confident	29 Å²	29	48.3 Å²	48.3	30%	0.299	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	9.6	172.2	0	0	0	0	0	115.9	A505 K506 R507 N524 Q525	A505-G509 PolarHBondContact O-N 3.25Å; K506-G509 PolarHBondContact O-N 3.07Å; R507-G509 VanDerWaalsContact C-N 3.33Å; G509-N524 CarbonylContact O-C 3.6Å; G509-Q525 WeakPolarHBondContact O-CA 3.45Å; G509-Q525 PolarHBondContact O-N 3.25Å
510	F	89.8	Confident	86.3	Confident	1 Å²	1	47.2 Å²	47.2	0%	0.004	23%	0.228	C	C	.	.			trans	-107.9	115.7	171.4	-85.4	-104.1	0	0	0	110.6	E460 L463 R464 A505 K506 V522 E523 N524 Q525	E460-F510 HydrophobicContact CB-CZ 4.18Å; E460-F510 HydrophobicContact CG-CE2 4.34Å; E460-F510 HydrophobicContact CG-CZ 4.09Å; L463-F510 HydrophobicContact CB-CB 4.17Å; L463-F510 HydrophobicContact CB-CD1 4.29Å; L463-F510 HydrophobicContact CB-CD2 3.68Å; L463-F510 HydrophobicContact CB-CE2 4.07Å; L463-F510 HydrophobicContact CB-CG 3.78Å; L463-F510 HydrophobicContact CD1-CD2 3.5Å; L463-F510 VanDerWaalsContact CD1-CD2 3.5Å; L463-F510 HydrophobicContact CD1-CE2 3.8Å; L463-F510 HydrophobicContact CD1-CG 4.38Å; L463-F510 HydrophobicContact CG-CD2 4.2Å; R464-F510 HydrophobicContact CG-CD1 4.38Å; R464-F510 HydrophobicContact CG-CE1 3.81Å; A505-F510 CarbonylContact C-O 3.59Å; A505-F510 PolarHBondContact O-N 3.28Å; A505-F510 VanDerWaalsContact O-N 3.09Å; A505-F510 VanDerWaalsContact O-O 3.1Å; K506-F510 WeakPolarHBondContact CA-O 3.5Å; K506-F510 PolarHBondContact N-O 3.19Å; F510-V522 HydrophobicContact CD1-CG1 3.88Å; F510-E523 CarbonylContact C-O 3.36Å; F510-E523 WeakPolarHBondContact CA-O 3.45Å; F510-N524 HydrophobicContact CE1-CB 3.96Å; F510-N524 HydrophobicContact CZ-CB 4.13Å; F510-Q525 HydrophobicContact CD2-CG 4.11Å; F510-Q525 HydrophobicContact CE2-CG 3.93Å
511	T	90.6	Very high	86.4	Confident	14 Å²	14	49.7 Å²	49.7	9%	0.086	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.3	-175.2	-53.5	0	0	0	0	111.4	L489 K506 L513 V522 E523	L489-T511 HydrophobicContact CD1-CG2 3.98Å; K506-T511 HydrophobicContact CD-CG2 4.4Å; K506-T511 HydrophobicContact CG-CG2 4.38Å; T511-L513 HydrophobicContact CG2-CD2 4.16Å; T511-V522 CarbonylContact O-C 3.5Å; T511-V522 WeakPolarHBondContact O-CA 3.47Å; T511-E523 PolarHBondContact N-O 3.38Å; T511-E523 PolarHBondContact O-N 2.96Å
512	F	91.3	Very high	86.4	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.009	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	124.2	171.1	178.9	-112.6	0	0	0	110.7	H470 V472 I474 Y491 V502 G514 M520 V522	H470-F512 AromaticContact CE1-CD1 3.74Å; H470-F512 AromaticContact CE1-CE1 3.55Å; H470-F512 AromaticContact CE1-CE2 3.91Å; H470-F512 AromaticContact CE1-CG 3.99Å; H470-F512 AromaticContact CE1-CZ 3.64Å; H470-F512 AromaticContact NE2-CD1 3.86Å; H470-F512 AromaticContact NE2-CD2 3.98Å; H470-F512 AromaticContact NE2-CG 3.77Å; V472-F512 WeakPolarHBondContact O-CE1 3.46Å; I474-F512 HydrophobicContact CG2-CD1 4.06Å; I474-F512 HydrophobicContact CG2-CE1 4.13Å; Y491-F512 HydrophobicContact CE1-CB 4.48Å; Y491-F512 HydrophobicContact CE1-CD1 4.21Å; Y491-F512 PolarHBondContact OH-O 3.27Å; V502-F512 HydrophobicContact CG1-CB 4Å; F512-G514 VanDerWaalsContact CZ-CA 3.43Å; F512-M520 HydrophobicContact CE2-CB 4.18Å; F512-M520 HydrophobicContact CE2-CG 4.26Å; F512-V522 HydrophobicContact CD2-CG2 4.34Å
513	L	87.3	Confident	86.4	Confident	37 Å²	37	51.3 Å²	51.3	19%	0.194	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	12	-175.3	-62.1	179.2	0	0	0	113.4	I474 L489 T511 R521 E523 I529	I474-L513 WeakPolarHBondContact CD1-O 3.47Å; L489-L513 HydrophobicContact CD1-CD2 4.11Å; T511-L513 HydrophobicContact CG2-CD2 4.16Å; L513-R521 HydrophobicContact CB-CB 4.17Å; L513-R521 PolarHBondContact N-O 2.79Å; L513-E523 HydrophobicContact CD1-CB 4.01Å; L513-E523 HydrophobicContact CG-CB 4.29Å; L513-I529 HydrophobicContact CD1-CD1 4.29Å; L513-I529 HydrophobicContact CD1-CG1 4.16Å
514	G	85.3	Confident	86.3	Confident	2 Å²	2	46.4 Å²	46.4	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	95.8	173.5	176.8	0	0	0	0	0	115.4	F512 R521	F512-G514 VanDerWaalsContact CZ-CA 3.43Å; G514-R521 PolarHBondContact O-N 3.34Å
515	N	82.1	Confident	86	Confident	85 Å²	85	51.6 Å²	51.6	46%	0.455	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	131.3	176.3	-168.9	-18.7	0	0	0	109.9	G518 Y519	N515-G518 PolarHBondContact OD1-N 3.42Å; N515-Y519 CarbonylContact C-O 3.57Å; N515-Y519 VanDerWaalsContact CA-O 3.3Å; N515-Y519 WeakPolarHBondContact CA-O 3.41Å; N515-Y519 PolarHBondContact OD1-N 3.01Å; N515-Y519 PolarHBondContact OD1-O 3.41Å; N515-Y519 VanDerWaalsContact OD1-O 3.1Å
516	R	78.4	Confident	85.6	Confident	157 Å²	157	60.4 Å²	60.4	59%	0.592	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.2	120.2	177.1	-168.9	176.4	-173.2	179.1	2.7	109.5	G518 Y519	R516-G518 PolarHBondContact O-N 3.4Å; R516-Y519 PolarHBondContact N-O 3.2Å; R516-Y519 PolarHBondContact O-N 3.08Å
517	N	78.8	Confident	85.4	Confident	153 Å²	153	64.4 Å²	64.4	82%	0.818	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	35.1	177.8	-61.2	-7.6	0	0	0	114.3
518	G	76.9	Confident	85.6	Confident	34 Å²	34	61.7 Å²	61.7	35%	0.351	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	3.5	-178.3	0	0	0	0	0	114.9	N515 R516 L534	N515-G518 PolarHBondContact OD1-N 3.42Å; R516-G518 PolarHBondContact O-N 3.4Å; G518-L534 WeakPolarHBondContact O-CB 3.25Å; G518-L534 PolarHBondContact O-N 2.79Å
519	Y	87.9	Confident	85.9	Confident	91 Å²	91	64.1 Å²	64.1	36%	0.357	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.3	175.4	-68.3	-101.1	0	0	0	111.3	N515 R516 E531 Y532 E533	N515-Y519 CarbonylContact C-O 3.57Å; N515-Y519 VanDerWaalsContact CA-O 3.3Å; N515-Y519 WeakPolarHBondContact CA-O 3.41Å; N515-Y519 PolarHBondContact OD1-N 3.01Å; N515-Y519 PolarHBondContact OD1-O 3.41Å; N515-Y519 VanDerWaalsContact OD1-O 3.1Å; R516-Y519 PolarHBondContact N-O 3.2Å; R516-Y519 PolarHBondContact O-N 3.08Å; Y519-E531 HydrophobicContact CD1-CB 4.39Å; Y519-Y532 CarbonylContact C-O 3.53Å; Y519-Y532 VanDerWaalsContact CA-O 3.26Å; Y519-Y532 WeakPolarHBondContact CA-O 3.44Å; Y519-E533 HydrophobicContact CD1-CB 3.96Å; Y519-E533 HydrophobicContact CE1-CB 3.6Å; Y519-E533 HydrophobicContact CE1-CG 4Å
520	M	90.1	Very high	86.2	Confident	8 Å²	8	63.8 Å²	63.8	4%	0.039	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	128.1	170.3	-73	-178.7	166.8	0	0	110	L468 F512 E531 Y532 L534	L468-M520 HydrophobicContact CD2-CB 3.92Å; L468-M520 HydrophobicContact CD2-SD 3.99Å; F512-M520 HydrophobicContact CE2-CB 4.18Å; F512-M520 HydrophobicContact CE2-CG 4.26Å; M520-E531 WeakPolarHBondContact O-CA 3.45Å; M520-Y532 PolarHBondContact N-O 3.11Å; M520-Y532 PolarHBondContact O-N 3.3Å; M520-L534 HydrophobicContact CE-CD1 3.77Å; M520-L534 HydrophobicContact CE-CD2 3.93Å; M520-L534 HydrophobicContact CE-CG 4.39Å; M520-L534 HydrophobicContact SD-CD1 4.12Å
521	R	90.8	Very high	86.3	Confident	57 Å²	57	67.5 Å²	67.5	22%	0.215	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.5	-180	-62.2	-175.2	-65.2	162	6	111.1	L513 G514 I529 E530 E531	L513-R521 HydrophobicContact CB-CB 4.17Å; L513-R521 PolarHBondContact N-O 2.79Å; G514-R521 PolarHBondContact O-N 3.34Å; R521-I529 HydrophobicContact CB-CG2 4.19Å; R521-I529 HydrophobicContact CG-CG2 4.42Å; R521-E530 WeakPolarHBondContact CA-O 3.42Å; R521-E531 VanDerWaalsContact CD-OE1 3.31Å; R521-E531 WeakPolarHBondContact CD-OE1 3.21Å; R521-E531 HydrophobicContact CG-CG 4.05Å
522	V	91.3	Very high	86.4	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131.4	178.3	-174.9	0	0	0	0	108.7	C467 L468 F510 T511 F512 E530	C467-V522 HydrophobicContact CB-CG1 3.94Å; C467-V522 HydrophobicContact CB-CG2 3.89Å; L468-V522 HydrophobicContact CD2-CG2 3.9Å; L468-V522 HydrophobicContact CG-CG2 4.43Å; F510-V522 HydrophobicContact CD1-CG1 3.88Å; T511-V522 CarbonylContact O-C 3.5Å; T511-V522 WeakPolarHBondContact O-CA 3.47Å; F512-V522 HydrophobicContact CD2-CG2 4.34Å; V522-E530 PolarHBondContact N-O 3.06Å; V522-E530 PolarHBondContact O-N 3.11Å
523	E	89.8	Confident	86.5	Confident	37 Å²	37	70.7 Å²	70.7	17%	0.173	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	120.1	171.3	-172	-176.8	-111.8	0	0	108.8	F510 T511 L513 K527 E528	F510-E523 CarbonylContact C-O 3.36Å; F510-E523 WeakPolarHBondContact CA-O 3.45Å; T511-E523 PolarHBondContact N-O 3.38Å; T511-E523 PolarHBondContact O-N 2.96Å; L513-E523 HydrophobicContact CD1-CB 4.01Å; L513-E523 HydrophobicContact CG-CB 4.29Å; E523-K527 HydrophobicContact CG-CD 4.07Å; E523-K527 WeakPolarHBondContact OE1-CD 3.24Å; E523-K527 IonicContact OE1-NZ 3.88Å; E523-K527 VanDerWaalsContact OE2-CD 3.23Å; E523-K527 WeakPolarHBondContact OE2-CD 3.38Å; E523-K527 IonicContact OE2-NZ 2.69Å; E523-K527 PolarHBondContact OE2-NZ 2.86Å; E523-E528 WeakPolarHBondContact CA-O 3.2Å
524	N	87.2	Confident	86.7	Confident	13 Å²	13	70.9 Å²	70.9	7%	0.07	33%	0.329	C	S	.	.			trans	-80.2	177	177.1	73.2	14.1	0	0	0	111.9	G509 F510 R526 K527 E528 E530	G509-N524 CarbonylContact O-C 3.6Å; F510-N524 HydrophobicContact CE1-CB 3.96Å; F510-N524 HydrophobicContact CZ-CB 4.13Å; N524-R526 PolarHBondContact O-N 3.38Å; N524-R526 WeakPolarHBondContact OD1-CA 3.36Å; N524-R526 WeakPolarHBondContact OD1-CB 3.23Å; N524-R526 PolarHBondContact OD1-N 3.08Å; N524-K527 PolarHBondContact O-N 3.41Å; N524-K527 PolarHBondContact OD1-N 3.3Å; N524-E528 PolarHBondContact N-O 3.08Å; N524-E528 PolarHBondContact ND2-OE2 2.85Å; N524-E528 WeakPolarHBondContact OD1-CB 3.48Å; N524-E528 PolarHBondContact OD1-N 3.49Å; N524-E530 PolarHBondContact ND2-OE1 2.8Å
525	Q	82.2	Confident	86.9	Confident	109 Å²	109	72.7 Å²	72.7	51%	0.509	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-22.8	-179.6	-69	-179.1	-4	0	0	114	Y508 G509 F510 K527	Y508-Q525 PolarHBondContact O-NE2 3.48Å; Y508-Q525 VanDerWaalsContact O-NE2 3.11Å; G509-Q525 WeakPolarHBondContact O-CA 3.45Å; G509-Q525 PolarHBondContact O-N 3.25Å; F510-Q525 HydrophobicContact CD2-CG 4.11Å; F510-Q525 HydrophobicContact CE2-CG 3.93Å; Q525-K527 VanDerWaalsContact C-N 3.33Å
526	R	80.8	Confident	87.1	Confident	185 Å²	185	69.7 Å²	69.7	70%	0.698	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	5.4	-179.9	-58.6	-179	-175.6	177.8	5.1	113.3	N524 E528	N524-R526 PolarHBondContact O-N 3.38Å; N524-R526 WeakPolarHBondContact OD1-CA 3.36Å; N524-R526 WeakPolarHBondContact OD1-CB 3.23Å; N524-R526 PolarHBondContact OD1-N 3.08Å; R526-E528 HydrophobicContact CB-CG 4.07Å; R526-E528 PolarHBondContact O-N 2.86Å
527	K	82.6	Confident	87.5	Confident	145 Å²	145	64.2 Å²	64.2	63%	0.63	31%	0.305	S	S	*	.	S	Bend	trans	64.4	25.5	-173.7	-57	-66.6	-175.7	174.5	0	113.4	E523 N524 Q525	E523-K527 HydrophobicContact CG-CD 4.07Å; E523-K527 WeakPolarHBondContact OE1-CD 3.24Å; E523-K527 IonicContact OE1-NZ 3.88Å; E523-K527 VanDerWaalsContact OE2-CD 3.23Å; E523-K527 WeakPolarHBondContact OE2-CD 3.38Å; E523-K527 IonicContact OE2-NZ 2.69Å; E523-K527 PolarHBondContact OE2-NZ 2.86Å; N524-K527 PolarHBondContact O-N 3.41Å; N524-K527 PolarHBondContact OD1-N 3.3Å; Q525-K527 VanDerWaalsContact C-N 3.33Å
528	E	88.2	Confident	88	Confident	98 Å²	98	57 Å²	57	46%	0.458	27%	0.266	S	S	.	.			trans	-91.3	137.5	172.6	-57.8	163.7	168.4	0	0	109.1	E523 N524 R526	E523-E528 WeakPolarHBondContact CA-O 3.2Å; N524-E528 PolarHBondContact N-O 3.08Å; N524-E528 PolarHBondContact ND2-OE2 2.85Å; N524-E528 WeakPolarHBondContact OD1-CB 3.48Å; N524-E528 PolarHBondContact OD1-N 3.49Å; R526-E528 HydrophobicContact CB-CG 4.07Å; R526-E528 PolarHBondContact O-N 2.86Å
529	I	89.4	Confident	88.1	Confident	89 Å²	89	59.6 Å²	59.6	46%	0.456	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	112.3	178.8	-60.7	175	0	0	0	108.5	L513 R521 E531	L513-I529 HydrophobicContact CD1-CD1 4.29Å; L513-I529 HydrophobicContact CD1-CG1 4.16Å; R521-I529 HydrophobicContact CB-CG2 4.19Å; R521-I529 HydrophobicContact CG-CG2 4.42Å; I529-E531 HydrophobicContact CG2-CG 4.3Å
530	E	90.8	Very high	87.7	Confident	22 Å²	22	61.3 Å²	61.3	10%	0.103	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	122.6	172.1	-61.6	177.3	-175	0	0	108.7	R464 R521 V522 N524 Y532	R464-E530 IonicContact CZ-OE1 2.68Å; R464-E530 IonicContact CZ-OE2 3.59Å; R464-E530 IonicContact NE-OE1 2.78Å; R464-E530 IonicContact NE-OE2 2.93Å; R464-E530 PolarHBondContact NE-OE2 2.87Å; R464-E530 IonicContact NH2-OE1 3.07Å; R464-E530 PolarHBondContact NH2-OE1 2.96Å; R464-E530 IonicContact NH2-OE2 3.19Å; R464-E530 PolarHBondContact NH2-OE2 2.82Å; R521-E530 WeakPolarHBondContact CA-O 3.42Å; V522-E530 PolarHBondContact N-O 3.06Å; V522-E530 PolarHBondContact O-N 3.11Å; N524-E530 PolarHBondContact ND2-OE1 2.8Å; E530-Y532 HydrophobicContact CB-CD2 4.44Å; E530-Y532 HydrophobicContact CB-CE2 3.75Å; E530-Y532 PolarHBondContact OE2-OH 3Å; E530-Y532 VanDerWaalsContact OE2-OH 3.09Å
531	E	91.2	Very high	86.7	Confident	79 Å²	79	63.9 Å²	63.9	37%	0.369	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124	177.1	-50.3	-160.1	138	0	0	110.5	Y519 M520 R521 I529 Q554	Y519-E531 HydrophobicContact CD1-CB 4.39Å; M520-E531 WeakPolarHBondContact O-CA 3.45Å; R521-E531 VanDerWaalsContact CD-OE1 3.31Å; R521-E531 WeakPolarHBondContact CD-OE1 3.21Å; R521-E531 HydrophobicContact CG-CG 4.05Å; I529-E531 HydrophobicContact CG2-CG 4.3Å; E531-Q554 WeakPolarHBondContact O-CG 3.38Å; E531-Q554 PolarHBondContact O-NE2 3.23Å
532	Y	92.9	Very high	85.3	Confident	17 Å²	17	64.7 Å²	64.7	7%	0.067	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.2	178.4	-69.8	-88.3	0	0	0	110	R464 L468 Y519 M520 E530 L534 V551 T553	R464-Y532 VanDerWaalsContact CD-OH 3.3Å; R464-Y532 WeakPolarHBondContact CD-OH 2.93Å; R464-Y532 PolarHBondContact NE-OH 3.49Å; R464-Y532 VanDerWaalsContact NE-OH 3.14Å; L468-Y532 HydrophobicContact CD1-CD1 4.04Å; L468-Y532 HydrophobicContact CD1-CD2 3.95Å; L468-Y532 HydrophobicContact CD1-CE1 4.11Å; L468-Y532 HydrophobicContact CD1-CE2 4Å; L468-Y532 HydrophobicContact CD1-CG 3.95Å; L468-Y532 HydrophobicContact CD2-CD2 3.67Å; L468-Y532 HydrophobicContact CD2-CE2 4.36Å; L468-Y532 HydrophobicContact CD2-CG 3.86Å; L468-Y532 HydrophobicContact CG-CD2 4.4Å; Y519-Y532 CarbonylContact C-O 3.53Å; Y519-Y532 VanDerWaalsContact CA-O 3.26Å; Y519-Y532 WeakPolarHBondContact CA-O 3.44Å; M520-Y532 PolarHBondContact N-O 3.11Å; M520-Y532 PolarHBondContact O-N 3.3Å; E530-Y532 HydrophobicContact CB-CD2 4.44Å; E530-Y532 HydrophobicContact CB-CE2 3.75Å; E530-Y532 PolarHBondContact OE2-OH 3Å; E530-Y532 VanDerWaalsContact OE2-OH 3.09Å; Y532-L534 PolarHBondContact O-N 3.19Å; Y532-V551 HydrophobicContact CD1-CG2 4.3Å; Y532-T553 HydrophobicContact CD1-CG2 4.33Å; Y532-T553 HydrophobicContact CE1-CG2 3.94Å
533	E	93.4	Very high	84	Confident	66 Å²	66	69.8 Å²	69.8	31%	0.308	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	119	175.3	-172.8	-177.3	-178.9	0	0	108.9	Y519 L535 V551 K552	Y519-E533 HydrophobicContact CD1-CB 3.96Å; Y519-E533 HydrophobicContact CE1-CB 3.6Å; Y519-E533 HydrophobicContact CE1-CG 4Å; E533-L535 HydrophobicContact CG-CD2 4.36Å; E533-L535 PolarHBondContact O-N 3.1Å; E533-V551 CarbonylContact O-C 3.56Å; E533-V551 VanDerWaalsContact O-CA 3.32Å; E533-V551 WeakPolarHBondContact O-CA 3.3Å; E533-K552 HydrophobicContact CB-CB 4.16Å; E533-K552 PolarHBondContact N-O 2.71Å; E533-K552 PolarHBondContact O-N 2.93Å
534	L	90.8	Very high	83.4	Confident	41 Å²	41	68.8 Å²	68.8	22%	0.215	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	107.2	179.4	-179.3	66.9	0	0	0	109.7	G518 M520 Y532 V549 V551	G518-L534 WeakPolarHBondContact O-CB 3.25Å; G518-L534 PolarHBondContact O-N 2.79Å; M520-L534 HydrophobicContact CE-CD1 3.77Å; M520-L534 HydrophobicContact CE-CD2 3.93Å; M520-L534 HydrophobicContact CE-CG 4.39Å; M520-L534 HydrophobicContact SD-CD1 4.12Å; Y532-L534 PolarHBondContact O-N 3.19Å; L534-V549 HydrophobicContact CD1-CG1 3.27Å; L534-V551 HydrophobicContact CD1-CG1 4.26Å
535	L	90.2	Very high	83.1	Confident	41 Å²	41	72.3 Å²	72.3	22%	0.215	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-55.4	-178	-66	176.4	0	0	0	111.7	E533 I550 K552 I558 Y608	E533-L535 HydrophobicContact CG-CD2 4.36Å; E533-L535 PolarHBondContact O-N 3.1Å; L535-I550 HydrophobicContact CB-CB 4.42Å; L535-I550 HydrophobicContact CB-CG2 4.18Å; L535-I550 WeakPolarHBondContact CB-O 3.3Å; L535-I550 HydrophobicContact CD1-CG2 4.04Å; L535-I550 PolarHBondContact N-O 2.75Å; L535-K552 HydrophobicContact CD1-CB 3.98Å; L535-K552 HydrophobicContact CG-CB 4.3Å; L535-I558 HydrophobicContact CD1-CD1 4.48Å; L535-I558 HydrophobicContact CD1-CG1 4.46Å; L535-I558 HydrophobicContact CD1-CG2 4.02Å; L535-Y608 HydrophobicContact CB-CE2 4.29Å; L535-Y608 WeakPolarHBondContact CB-OH 3.22Å; L535-Y608 HydrophobicContact CD1-CD2 4.48Å; L535-Y608 HydrophobicContact CD1-CE1 4.1Å; L535-Y608 HydrophobicContact CD1-CE2 3.88Å
536	H	86.3	Confident	83.4	Confident	21 Å²	21	67.5 Å²	67.5	10%	0.097	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	139	177.5	-70.3	-80.7	0	0	0	111.6	L538 I550 Y608 N612 L615 K619	H536-L538 HydrophobicContact CB-CD1 4.2Å; H536-I550 HydrophobicContact CB-CB 4.41Å; H536-I550 HydrophobicContact CB-CD1 4.39Å; H536-I550 PolarHBondContact N-O 2.86Å; H536-I550 PolarHBondContact O-N 2.88Å; H536-Y608 PolarHBondContact CD2-OH 3.26Å; H536-Y608 VanDerWaalsContact CD2-OH 3.29Å; H536-Y608 PolarHBondContact NE2-OH 2.75Å; H536-N612 PolarHBondContact CE1-OD1 2.68Å; H536-N612 PolarHBondContact NE2-OD1 3.05Å; H536-L615 HydrophobicContact CB-CD2 4.07Å; H536-L615 WeakPolarHBondContact ND1-CD2 3.47Å; H536-K619 PolarHBondContact ND1-NZ 2.85Å; H536-K619 VanDerWaalsContact ND1-NZ 3.16Å
537	T	86.9	Confident	83.9	Confident	42 Å²	42	58.9 Å²	58.9	26%	0.258	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.9	165.9	-57.4	0	0	0	0	108.7	T471 M547 V549	T471-T537 HydrophobicContact CG2-CG2 4.38Å; T537-M547 HydrophobicContact CG2-CE 3.84Å; T537-V549 HydrophobicContact CG2-CG2 4.29Å
538	L	88	Confident	84.4	Confident	1 Å²	1	52 Å²	52	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	97.1	172.8	-71.7	73.4	0	0	0	107.7	H536 R544 S548 I550 F633 I636	H536-L538 HydrophobicContact CB-CD1 4.2Å; L538-R544 PolarHBondContact O-NH2 2.62Å; L538-S548 WeakPolarHBondContact CA-O 3.46Å; L538-S548 WeakPolarHBondContact CB-O 3.48Å; L538-S548 PolarHBondContact N-O 3.22Å; L538-S548 PolarHBondContact O-N 3.01Å; L538-S548 VanDerWaalsContact O-N 3.13Å; L538-I550 HydrophobicContact CD1-CD1 4.23Å; L538-I550 HydrophobicContact CD1-CG1 4.28Å; L538-F633 HydrophobicContact CB-CE1 4.21Å; L538-F633 HydrophobicContact CB-CZ 4.32Å; L538-F633 HydrophobicContact CD2-CB 4.35Å; L538-F633 HydrophobicContact CD2-CD1 3.29Å; L538-F633 HydrophobicContact CD2-CE1 3.6Å; L538-F633 HydrophobicContact CD2-CG 3.9Å; L538-F633 HydrophobicContact CD2-CZ 4.43Å; L538-F633 HydrophobicContact CG-CD1 3.83Å; L538-F633 HydrophobicContact CG-CE1 3.54Å; L538-F633 HydrophobicContact CG-CZ 4.13Å; L538-I636 HydrophobicContact CD2-CD1 4.46Å
539	N	80.5	Confident	84.6	Confident	89 Å²	89	47.3 Å²	47.3	48%	0.476	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	151.2	-173.7	-65.4	-15.7	0	0	0	113.3	D541 R544	N539-D541 PolarHBondContact O-N 3.49Å; N539-R544 PolarHBondContact O-NH2 3.4Å
540	F	78.7	Confident	84.9	Confident	128 Å²	128	43 Å²	43	56%	0.561	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	134.8	172.5	179.5	-95	0	0	0	111	M547	F540-M547 HydrophobicContact CB-CB 4.25Å
541	D	68.8	Low	85	Confident	61 Å²	61	42 Å²	42	33%	0.326	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.9	173.9	179.8	-32.2	0	0	0	108.2	N539 V543 R544 R545	N539-D541 PolarHBondContact O-N 3.49Å; D541-V543 VanDerWaalsContact C-N 3.29Å; D541-V543 PolarHBondContact O-N 2.91Å; D541-V543 WeakPolarHBondContact OD1-CB 3.32Å; D541-V543 PolarHBondContact OD1-N 3.07Å; D541-R544 HydrophobicContact CB-CB 3.82Å; D541-R544 PolarHBondContact O-N 3.19Å; D541-R545 WeakPolarHBondContact O-CA 3.35Å; D541-R545 PolarHBondContact O-N 2.84Å
542	A	61.2	Low	85.2	Confident	75 Å²	75	42 Å²	42	62%	0.62	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-26.8	-178.2	0	0	0	0	0	113.7	R545	A542-R545 WeakPolarHBondContact O-CG 3.47Å
543	V	64.3	Low	85	Confident	106 Å²	106	42.2 Å²	42.2	64%	0.642	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-49.4	173.1	-176.4	0	0	0	0	109.3	D541	D541-V543 VanDerWaalsContact C-N 3.29Å; D541-V543 PolarHBondContact O-N 2.91Å; D541-V543 WeakPolarHBondContact OD1-CB 3.32Å; D541-V543 PolarHBondContact OD1-N 3.07Å
544	R	77.9	Confident	84.7	Confident	16 Å²	16	45.2 Å²	45.2	6%	0.06	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-35	179.4	-167.2	173.2	66.5	151	6	113.4	L538 N539 D541 R546 E637	L538-R544 PolarHBondContact O-NH2 2.62Å; N539-R544 PolarHBondContact O-NH2 3.4Å; D541-R544 HydrophobicContact CB-CB 3.82Å; D541-R544 PolarHBondContact O-N 3.19Å; R544-R546 HydrophobicContact CG-CB 4.32Å; R544-R546 PolarHBondContact NE-O 2.63Å; R544-R546 PolarHBondContact NH2-O 3.48Å; R544-R546 PolarHBondContact O-N 2.88Å; R544-R546 PolarHBondContact O-NH1 3.45Å; R544-E637 IonicContact CZ-OE1 3.82Å; R544-E637 IonicContact NH1-OE1 2.73Å; R544-E637 PolarHBondContact NH1-OE1 3.42Å; R544-E637 IonicContact NH1-OE2 3.66Å; R544-E637 IonicContact NH2-OE1 3.5Å
545	R	80.6	Confident	84.3	Confident	87 Å²	87	51.7 Å²	51.7	33%	0.328	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	29	-177.1	-54.9	177.6	-173.8	160.6	9.4	114.7	D541 A542 G564 A565 A568	D541-R545 WeakPolarHBondContact O-CA 3.35Å; D541-R545 PolarHBondContact O-N 2.84Å; A542-R545 WeakPolarHBondContact O-CG 3.47Å; R545-G564 WeakPolarHBondContact O-CA 3.38Å; R545-A565 HydrophobicContact CB-CB 4.23Å; R545-A565 PolarHBondContact O-N 3.3Å; R545-A565 VanDerWaalsContact O-N 3.08Å; R545-A568 HydrophobicContact CB-CB 4.15Å
546	R	88.2	Confident	83.9	Confident	9 Å²	9	51.5 Å²	51.5	3%	0.034	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	156.6	-179.8	-57	-176.9	-63.7	-88.6	-5.9	110.3	R544 K563 A568 V569 R572 D634 E637	R544-R546 HydrophobicContact CG-CB 4.32Å; R544-R546 PolarHBondContact NE-O 2.63Å; R544-R546 PolarHBondContact NH2-O 3.48Å; R544-R546 PolarHBondContact O-N 2.88Å; R544-R546 PolarHBondContact O-NH1 3.45Å; R546-K563 CarbonylContact C-O 3.57Å; R546-K563 WeakPolarHBondContact CA-O 3.34Å; R546-A568 HydrophobicContact CG-CB 3.74Å; R546-A568 PolarHBondContact NH1-O 3.45Å; R546-V569 HydrophobicContact CG-CG2 4.03Å; R546-R572 VanDerWaalsContact NH2-NE 3.14Å; R546-D634 IonicContact NH2-OD1 2.75Å; R546-E637 IonicContact CZ-OE2 3.01Å; R546-E637 IonicContact NE-OE2 2.78Å; R546-E637 PolarHBondContact NE-OE2 3.39Å; R546-E637 IonicContact NH2-OE2 2.76Å; R546-E637 PolarHBondContact NH2-OE2 3.38Å
547	M	90.1	Very high	84	Confident	3 Å²	3	54 Å²	54	2%	0.015	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	139.4	171.6	178.5	-178.9	-179.4	0	0	108.4	T471 T537 F540 V549 C562 K563	T471-M547 HydrophobicContact CG2-CE 3.41Å; T471-M547 VanDerWaalsContact CG2-CE 3.41Å; T471-M547 HydrophobicContact CG2-SD 4.47Å; T537-M547 HydrophobicContact CG2-CE 3.84Å; F540-M547 HydrophobicContact CB-CB 4.25Å; M547-V549 HydrophobicContact CE-CG2 4.12Å; M547-C562 WeakPolarHBondContact O-CA 3.2Å; M547-K563 HydrophobicContact CB-CG 4.35Å; M547-K563 PolarHBondContact N-O 3.2Å; M547-K563 PolarHBondContact O-N 3.41Å
548	S	93.3	Very high	84.4	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	150.2	179.9	-52.7	0	0	0	0	111.4	L538 F561 C562 E637	L538-S548 WeakPolarHBondContact CA-O 3.46Å; L538-S548 WeakPolarHBondContact CB-O 3.48Å; L538-S548 PolarHBondContact N-O 3.22Å; L538-S548 PolarHBondContact O-N 3.01Å; L538-S548 VanDerWaalsContact O-N 3.13Å; S548-F561 CarbonylContact C-O 3.03Å; S548-F561 WeakPolarHBondContact CA-O 3.46Å; S548-C562 WeakPolarHBondContact OG-CB 3.39Å; S548-C562 PolarHBondContact OG-SG 3.12Å; S548-E637 WeakPolarHBondContact CB-OE1 3.35Å; S548-E637 PolarHBondContact OG-OE1 3.25Å
549	V	94.1	Very high	84.7	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	131.9	176.7	-177.4	0	0	0	0	108.5	C469 L534 T537 M547 V551 L560 F561	C469-V549 HydrophobicContact CB-CG2 4.41Å; L534-V549 HydrophobicContact CD1-CG1 3.27Å; T537-V549 HydrophobicContact CG2-CG2 4.29Å; M547-V549 HydrophobicContact CE-CG2 4.12Å; V549-V551 HydrophobicContact CG1-CG1 3.76Å; V549-L560 WeakPolarHBondContact O-CA 3.2Å; V549-F561 PolarHBondContact N-O 3.34Å; V549-F561 PolarHBondContact O-N 3.15Å
550	I	94.2	Very high	85.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	120.7	173	-55.7	175.8	0	0	0	107.4	L535 H536 L538 I558 L559 L560 I603 Y608	L535-I550 HydrophobicContact CB-CB 4.42Å; L535-I550 HydrophobicContact CB-CG2 4.18Å; L535-I550 WeakPolarHBondContact CB-O 3.3Å; L535-I550 HydrophobicContact CD1-CG2 4.04Å; L535-I550 PolarHBondContact N-O 2.75Å; H536-I550 HydrophobicContact CB-CB 4.41Å; H536-I550 HydrophobicContact CB-CD1 4.39Å; H536-I550 PolarHBondContact N-O 2.86Å; H536-I550 PolarHBondContact O-N 2.88Å; L538-I550 HydrophobicContact CD1-CD1 4.23Å; L538-I550 HydrophobicContact CD1-CG1 4.28Å; I550-I558 HydrophobicContact CG2-CG2 3.63Å; I550-L559 WeakPolarHBondContact CA-O 3.46Å; I550-L560 HydrophobicContact CD1-CD1 4.24Å; I550-L560 HydrophobicContact CG1-CD1 3.51Å; I550-I603 HydrophobicContact CD1-CD1 4.45Å; I550-Y608 HydrophobicContact CD1-CE2 4.48Å; I550-Y608 HydrophobicContact CG2-CD2 4.11Å; I550-Y608 HydrophobicContact CG2-CE2 3.88Å
551	V	94.3	Very high	86.2	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	153	178.8	-61.7	0	0	0	0	110.4	L468 Y532 E533 L534 V549 I558 L559 F561	L468-V551 HydrophobicContact CD1-CG2 4.4Å; Y532-V551 HydrophobicContact CD1-CG2 4.3Å; E533-V551 CarbonylContact O-C 3.56Å; E533-V551 VanDerWaalsContact O-CA 3.32Å; E533-V551 WeakPolarHBondContact O-CA 3.3Å; L534-V551 HydrophobicContact CD1-CG1 4.26Å; V549-V551 HydrophobicContact CG1-CG1 3.76Å; V551-I558 WeakPolarHBondContact O-CA 3.49Å; V551-L559 HydrophobicContact CG2-CB 4.22Å; V551-L559 PolarHBondContact N-O 3.18Å; V551-L559 PolarHBondContact O-N 3.21Å; V551-F561 HydrophobicContact CG2-CD2 3.99Å; V551-F561 HydrophobicContact CG2-CE2 3.81Å
552	K	93.9	Very high	87.4	Confident	79 Å²	79	40.5 Å²	40.5	34%	0.343	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129.6	168	-171	-178.6	177.8	-174	0	109.4	E533 L535 D557 I558	E533-K552 HydrophobicContact CB-CB 4.16Å; E533-K552 PolarHBondContact N-O 2.71Å; E533-K552 PolarHBondContact O-N 2.93Å; L535-K552 HydrophobicContact CD1-CB 3.98Å; L535-K552 HydrophobicContact CG-CB 4.3Å; K552-D557 CarbonylContact C-O 3.53Å; K552-D557 WeakPolarHBondContact CA-O 3.32Å; K552-I558 HydrophobicContact CG-CG1 4.31Å
553	T	90.4	Very high	89	Confident	21 Å²	21	37.7 Å²	37.7	13%	0.129	19%	0.191	C	C	.	.			trans	-75	160.9	178.7	70.8	0	0	0	0	110.6	Y532 E555 G556 D557 L559	Y532-T553 HydrophobicContact CD1-CG2 4.33Å; Y532-T553 HydrophobicContact CE1-CG2 3.94Å; T553-E555 PolarHBondContact O-N 2.75Å; T553-E555 PolarHBondContact OG1-N 2.91Å; T553-G556 PolarHBondContact O-N 2.82Å; T553-G556 VanDerWaalsContact O-N 3.13Å; T553-G556 PolarHBondContact OG1-N 3.13Å; T553-D557 HydrophobicContact CG2-CB 4.42Å; T553-D557 PolarHBondContact N-O 3.32Å; T553-D557 PolarHBondContact OG1-N 2.92Å; T553-D557 VanDerWaalsContact OG1-N 3.08Å; T553-D557 PolarHBondContact OG1-O 3.38Å; T553-L559 HydrophobicContact CG2-CD1 3.68Å; T553-L559 HydrophobicContact CG2-CG 4.09Å
554	Q	85.2	Confident	90.2	Very high	129 Å²	129	32.8 Å²	32.8	60%	0.603	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-26.5	172.3	-63.4	-170	-20.1	0	0	112.5	E531 G556	E531-Q554 WeakPolarHBondContact O-CG 3.38Å; E531-Q554 PolarHBondContact O-NE2 3.23Å; Q554-G556 VanDerWaalsContact C-N 3.3Å
555	E	82.9	Confident	90.5	Very high	177 Å²	177	32.4 Å²	32.4	83%	0.827	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-14.9	180	-59.5	-178.2	-176.8	0	0	112.5	T553	T553-E555 PolarHBondContact O-N 2.75Å; T553-E555 PolarHBondContact OG1-N 2.91Å
556	G	82.9	Confident	90.7	Very high	37 Å²	37	30.5 Å²	30.5	38%	0.381	16%	0.159	S	C	.	.	S	Bend	trans	110.6	-8.4	172.7	0	0	0	0	0	115.1	T553 Q554	T553-G556 PolarHBondContact O-N 2.82Å; T553-G556 VanDerWaalsContact O-N 3.13Å; T553-G556 PolarHBondContact OG1-N 3.13Å; Q554-G556 VanDerWaalsContact C-N 3.3Å
557	D	88.7	Confident	90.4	Very high	74 Å²	74	33.1 Å²	33.1	40%	0.396	18%	0.179	S	C	.	.			trans	-76.6	149.8	-179.2	-55.3	-41.5	0	0	0	112	K552 T553	K552-D557 CarbonylContact C-O 3.53Å; K552-D557 WeakPolarHBondContact CA-O 3.32Å; T553-D557 HydrophobicContact CG2-CB 4.42Å; T553-D557 PolarHBondContact N-O 3.32Å; T553-D557 PolarHBondContact OG1-N 2.92Å; T553-D557 VanDerWaalsContact OG1-N 3.08Å; T553-D557 PolarHBondContact OG1-O 3.38Å
558	I	94.2	Very high	90.2	Very high	16 Å²	16	33.4 Å²	33.4	8%	0.082	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118.2	179.1	-56.5	175.5	0	0	0	108.9	L535 I550 V551 K552 I603 Y608	L535-I558 HydrophobicContact CD1-CD1 4.48Å; L535-I558 HydrophobicContact CD1-CG1 4.46Å; L535-I558 HydrophobicContact CD1-CG2 4.02Å; I550-I558 HydrophobicContact CG2-CG2 3.63Å; V551-I558 WeakPolarHBondContact O-CA 3.49Å; K552-I558 HydrophobicContact CG-CG1 4.31Å; I558-I603 HydrophobicContact CG2-CB 4.25Å; I558-I603 PolarHBondContact O-N 2.82Å; I558-Y608 HydrophobicContact CD1-CD1 3.8Å; I558-Y608 HydrophobicContact CD1-CD2 4.45Å; I558-Y608 HydrophobicContact CD1-CG 3.72Å; I558-Y608 HydrophobicContact CG2-CD2 4.12Å; I558-Y608 HydrophobicContact CG2-CG 4.37Å
559	L	94.3	Very high	90.1	Very high	21 Å²	21	33.4 Å²	33.4	11%	0.11	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.7	-178.1	-62.1	176.7	0	0	0	110.5	I550 V551 T553 F561 F600 E602	I550-L559 WeakPolarHBondContact CA-O 3.46Å; V551-L559 HydrophobicContact CG2-CB 4.22Å; V551-L559 PolarHBondContact N-O 3.18Å; V551-L559 PolarHBondContact O-N 3.21Å; T553-L559 HydrophobicContact CG2-CD1 3.68Å; T553-L559 HydrophobicContact CG2-CG 4.09Å; L559-F561 HydrophobicContact CB-CE2 4.07Å; L559-F561 HydrophobicContact CB-CZ 4.31Å; L559-F561 HydrophobicContact CD1-CE2 4.24Å; L559-F561 HydrophobicContact CD1-CZ 3.91Å; L559-F600 HydrophobicContact CD2-CD2 4.36Å; L559-E602 HydrophobicContact CD2-CB 4.27Å; L559-E602 HydrophobicContact CD2-CG 4.14Å
560	L	95.4	Very high	89.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	115.2	165.8	174.7	76.8	0	0	0	108.3	V549 I550 F600 K601 I603 I636	V549-L560 WeakPolarHBondContact O-CA 3.2Å; I550-L560 HydrophobicContact CD1-CD1 4.24Å; I550-L560 HydrophobicContact CG1-CD1 3.51Å; L560-F600 CarbonylContact O-C 3.55Å; L560-F600 WeakPolarHBondContact O-CA 3.37Å; L560-K601 HydrophobicContact CB-CB 4.32Å; L560-K601 HydrophobicContact CD2-CB 4.22Å; L560-K601 HydrophobicContact CD2-CD 4.42Å; L560-K601 PolarHBondContact N-O 2.83Å; L560-K601 PolarHBondContact O-N 2.8Å; L560-I603 HydrophobicContact CB-CD1 3.78Å; L560-I603 HydrophobicContact CB-CG1 4.26Å; L560-I636 HydrophobicContact CD1-CG2 4.3Å; L560-I636 HydrophobicContact CD2-CG2 4Å
561	F	95.9	Very high	89.6	Confident	1 Å²	1	39 Å²	39	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	131.8	167.6	-67.5	-68.3	0	0	0	109.8	L461 A465 L468 C469 S548 V549 V551 L559 F600	L461-F561 HydrophobicContact CD1-CE1 4.11Å; L461-F561 HydrophobicContact CD1-CZ 4.14Å; L461-F561 HydrophobicContact CG-CE1 4.45Å; A465-F561 HydrophobicContact CB-CD1 3.37Å; A465-F561 HydrophobicContact CB-CE1 3.65Å; A465-F561 HydrophobicContact CB-CG 4.1Å; L468-F561 HydrophobicContact CB-CD2 4.26Å; L468-F561 HydrophobicContact CD1-CD2 4.25Å; L468-F561 HydrophobicContact CD1-CE2 3.68Å; L468-F561 HydrophobicContact CD1-CZ 4.43Å; C469-F561 HydrophobicContact CB-CB 3.81Å; C469-F561 PolarHBondContact SG-O 3.47Å; C469-F561 VanDerWaalsContact SG-O 3.34Å; S548-F561 CarbonylContact C-O 3.03Å; S548-F561 WeakPolarHBondContact CA-O 3.46Å; V549-F561 PolarHBondContact N-O 3.34Å; V549-F561 PolarHBondContact O-N 3.15Å; V551-F561 HydrophobicContact CG2-CD2 3.99Å; V551-F561 HydrophobicContact CG2-CE2 3.81Å; L559-F561 HydrophobicContact CB-CE2 4.07Å; L559-F561 HydrophobicContact CB-CZ 4.31Å; L559-F561 HydrophobicContact CD1-CE2 4.24Å; L559-F561 HydrophobicContact CD1-CZ 3.91Å; F561-F600 HydrophobicContact CD1-CB 3.78Å; F561-F600 HydrophobicContact CE1-CB 3.95Å
562	C	94.6	Very high	89.4	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.8	178.6	178.1	0	0	0	0	109.9	M547 S548 A599 M640	M547-C562 WeakPolarHBondContact O-CA 3.2Å; S548-C562 WeakPolarHBondContact OG-CB 3.39Å; S548-C562 PolarHBondContact OG-SG 3.12Å; C562-A599 PolarHBondContact N-O 3.46Å; C562-A599 PolarHBondContact O-N 3.2Å; C562-A599 VanDerWaalsContact O-O 3.11Å; C562-M640 HydrophobicContact CB-CE 4.31Å; C562-M640 HydrophobicContact CB-SD 3.48Å; C562-M640 WeakPolarHBondContact CB-SD 3.3Å
563	K	93.3	Very high	89.2	Confident	15 Å²	15	38.1 Å²	38.1	7%	0.065	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	143.4	170.4	72.5	-177	-177.3	-171.1	0	110.5	C469 E498 L501 R546 M547 C597 V598	C469-K563 VanDerWaalsContact O-CD 3.29Å; C469-K563 WeakPolarHBondContact O-CD 3.5Å; C469-K563 WeakPolarHBondContact O-CE 3.46Å; C469-K563 PolarHBondContact O-NZ 3.47Å; E498-K563 WeakPolarHBondContact OE1-CE 3.45Å; E498-K563 IonicContact OE1-NZ 3.64Å; E498-K563 PolarHBondContact OE1-NZ 3.31Å; L501-K563 HydrophobicContact CD1-CD 4.35Å; R546-K563 CarbonylContact C-O 3.57Å; R546-K563 WeakPolarHBondContact CA-O 3.34Å; M547-K563 HydrophobicContact CB-CG 4.35Å; M547-K563 PolarHBondContact N-O 3.2Å; M547-K563 PolarHBondContact O-N 3.41Å; K563-C597 VanDerWaalsContact CA-O 3.3Å; K563-C597 WeakPolarHBondContact CA-O 3.46Å; K563-V598 HydrophobicContact CB-CG2 4.4Å
564	G	89.9	Confident	88.8	Confident	3 Å²	3	41 Å²	41	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.5	-169.5	176.3	0	0	0	0	0	114.4	R545 L596 C597	R545-G564 WeakPolarHBondContact O-CA 3.38Å; G564-L596 WeakPolarHBondContact O-CA 3.35Å; G564-C597 PolarHBondContact N-O 3.45Å; G564-C597 PolarHBondContact O-N 3.02Å
565	A	84.8	Confident	88.5	Confident	8 Å²	8	41.5 Å²	41.5	7%	0.066	23%	0.23	C	C	.	.			trans	-64.4	142.3	178.6	0	0	0	0	0	111.3	R545 S567 A568 V569	R545-A565 HydrophobicContact CB-CB 4.23Å; R545-A565 PolarHBondContact O-N 3.3Å; R545-A565 VanDerWaalsContact O-N 3.08Å; A565-S567 VanDerWaalsContact C-N 3.31Å; A565-S567 PolarHBondContact O-N 3.32Å; A565-A568 HydrophobicContact CB-CB 4.23Å; A565-A568 WeakPolarHBondContact O-CA 3.17Å; A565-A568 WeakPolarHBondContact O-CB 3.49Å; A565-A568 PolarHBondContact O-N 3.46Å; A565-V569 WeakPolarHBondContact O-CG2 3.44Å; A565-V569 PolarHBondContact O-N 2.88Å
566	D	85	Confident	88.4	Confident	47 Å²	47	39.8 Å²	39.8	25%	0.251	22%	0.221	S	C	.	.	H	α-helix	trans	-45.4	-50.8	171.9	64.6	-43.1	0	0	0	112.7	A568 V569 F570 V585	D566-A568 PolarHBondContact O-N 3.07Å; D566-A568 VanDerWaalsContact O-N 3.1Å; D566-V569 PolarHBondContact O-N 2.81Å; D566-F570 HydrophobicContact CB-CD2 4.21Å; D566-F570 HydrophobicContact CB-CE2 3.8Å; D566-F570 HydrophobicContact CB-CZ 4.11Å; D566-F570 WeakPolarHBondContact O-CB 3.31Å; D566-F570 WeakPolarHBondContact O-CD2 3.38Å; D566-F570 VanDerWaalsContact O-CG 3.24Å; D566-F570 WeakPolarHBondContact O-CG 3.27Å; D566-F570 PolarHBondContact O-N 3.43Å; D566-V585 HydrophobicContact CB-CG1 3.85Å
567	S	82.1	Confident	87.9	Confident	65 Å²	65	39 Å²	39	46%	0.455	21%	0.208	S	C	.	.	H	α-helix	trans	-62.5	-21.5	179.3	69.7	0	0	0	0	114	A565 P571	A565-S567 VanDerWaalsContact C-N 3.31Å; A565-S567 PolarHBondContact O-N 3.32Å; S567-P571 WeakPolarHBondContact O-CD 3.47Å; S567-P571 WeakPolarHBondContact O-CG 3.42Å
568	A	85.7	Confident	87.6	Confident	9 Å²	9	36.3 Å²	36.3	7%	0.074	19%	0.193	C	C	.	.	H	α-helix	trans	-99.9	-32.6	-175.1	0	0	0	0	0	112	R545 R546 A565 D566 R572	R545-A568 HydrophobicContact CB-CB 4.15Å; R546-A568 HydrophobicContact CG-CB 3.74Å; R546-A568 PolarHBondContact NH1-O 3.45Å; A565-A568 HydrophobicContact CB-CB 4.23Å; A565-A568 WeakPolarHBondContact O-CA 3.17Å; A565-A568 WeakPolarHBondContact O-CB 3.49Å; A565-A568 PolarHBondContact O-N 3.46Å; D566-A568 PolarHBondContact O-N 3.07Å; D566-A568 VanDerWaalsContact O-N 3.1Å; A568-R572 PolarHBondContact O-NH1 3.2Å
569	V	90.1	Very high	87.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-87.4	-44.2	-178.8	177.1	0	0	0	0	111.2	R546 A565 D566 P571 R572 V573 C597 A599 M640	R546-V569 HydrophobicContact CG-CG2 4.03Å; A565-V569 WeakPolarHBondContact O-CG2 3.44Å; A565-V569 PolarHBondContact O-N 2.88Å; D566-V569 PolarHBondContact O-N 2.81Å; V569-P571 VanDerWaalsContact C-CD 3.44Å; V569-R572 PolarHBondContact O-N 2.86Å; V569-V573 HydrophobicContact CG1-CG2 3.82Å; V569-V573 WeakPolarHBondContact O-CG2 3.34Å; V569-V573 PolarHBondContact O-N 3.48Å; V569-C597 HydrophobicContact CB-CB 4.02Å; V569-C597 HydrophobicContact CG1-CB 4.02Å; V569-C597 HydrophobicContact CG2-CB 4.33Å; V569-A599 HydrophobicContact CG1-CB 4.09Å; V569-M640 HydrophobicContact CG1-CE 4.48Å
570	F	89.8	Confident	86.6	Confident	25 Å²	25	46.2 Å²	46.2	11%	0.11	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-53.7	-40	-178.3	-68.3	-20.9	0	0	0	115	D566 R572 V573 I578 K582 V585 C597 L642	D566-F570 HydrophobicContact CB-CD2 4.21Å; D566-F570 HydrophobicContact CB-CE2 3.8Å; D566-F570 HydrophobicContact CB-CZ 4.11Å; D566-F570 WeakPolarHBondContact O-CB 3.31Å; D566-F570 WeakPolarHBondContact O-CD2 3.38Å; D566-F570 VanDerWaalsContact O-CG 3.24Å; D566-F570 WeakPolarHBondContact O-CG 3.27Å; D566-F570 PolarHBondContact O-N 3.43Å; F570-R572 PolarHBondContact O-N 3.05Å; F570-R572 VanDerWaalsContact O-N 3.07Å; F570-V573 PolarHBondContact O-N 3.02Å; F570-I578 HydrophobicContact CB-CD1 4.35Å; F570-I578 HydrophobicContact CD1-CG2 4.19Å; F570-I578 HydrophobicContact CD2-CG2 4.27Å; F570-I578 HydrophobicContact CE1-CG2 4.42Å; F570-I578 HydrophobicContact CE2-CG2 4.49Å; F570-I578 HydrophobicContact CG-CG2 4.11Å; F570-K582 HydrophobicContact CE2-CB 4.27Å; F570-K582 HydrophobicContact CE2-CG 4.18Å; F570-K582 HydrophobicContact CZ-CB 4.32Å; F570-V585 HydrophobicContact CZ-CG2 4.29Å; F570-C597 WeakPolarHBondContact CE1-SG 3.39Å; F570-L642 HydrophobicContact CE1-CD2 4.18Å
571	P	89.2	Confident	86.2	Confident	92 Å²	92	46.3 Å²	46.3	60%	0.597	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-63.8	-13.8	177	-23.3	35	0	0	0	114.9	S567 V569	S567-P571 WeakPolarHBondContact O-CD 3.47Å; S567-P571 WeakPolarHBondContact O-CG 3.42Å; V569-P571 VanDerWaalsContact C-CD 3.44Å
572	R	89.2	Confident	85.7	Confident	52 Å²	52	49.9 Å²	49.9	20%	0.196	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-111.1	8.1	-175.5	-69.4	168.4	-178.9	66.8	6.2	112.4	R546 A568 V569 F570 D634 E637 N639 M640	R546-R572 VanDerWaalsContact NH2-NE 3.14Å; A568-R572 PolarHBondContact O-NH1 3.2Å; V569-R572 PolarHBondContact O-N 2.86Å; F570-R572 PolarHBondContact O-N 3.05Å; F570-R572 VanDerWaalsContact O-N 3.07Å; R572-D634 IonicContact CZ-OD1 2.68Å; R572-D634 IonicContact NE-OD1 2.62Å; R572-D634 PolarHBondContact NE-OD1 2.85Å; R572-D634 IonicContact NH2-OD1 3.18Å; R572-D634 PolarHBondContact NH2-OD1 3.04Å; R572-D634 IonicContact NH2-OD2 3.44Å; R572-D634 PolarHBondContact NH2-OD2 2.77Å; R572-E637 WeakPolarHBondContact CB-O 3.32Å; R572-E637 WeakPolarHBondContact CD-O 3.34Å; R572-N639 CarbonylContact O-C 3.6Å; R572-N639 WeakPolarHBondContact O-CA 3.44Å; R572-N639 PolarHBondContact O-N 3.1Å; R572-M640 HydrophobicContact CB-CE 3.7Å; R572-M640 PolarHBondContact O-N 3.02Å
573	V	89.6	Confident	85.3	Confident	9 Å²	9	53.2 Å²	53.2	6%	0.055	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-112.6	154.3	-176.9	165.1	0	0	0	0	110.6	V569 F570 N575 I578 A599 M640 L642	V569-V573 HydrophobicContact CG1-CG2 3.82Å; V569-V573 WeakPolarHBondContact O-CG2 3.34Å; V569-V573 PolarHBondContact O-N 3.48Å; F570-V573 PolarHBondContact O-N 3.02Å; V573-N575 PolarHBondContact O-N 2.8Å; V573-I578 HydrophobicContact CB-CD1 4.48Å; V573-I578 HydrophobicContact CG1-CD1 4.37Å; V573-I578 HydrophobicContact CG1-CG1 3.99Å; V573-A599 HydrophobicContact CG2-CB 4.3Å; V573-M640 VanDerWaalsContact CA-O 3.31Å; V573-M640 WeakPolarHBondContact CA-O 3.46Å; V573-M640 HydrophobicContact CG2-CB 4.44Å; V573-L642 HydrophobicContact CG1-CB 3.49Å; V573-L642 VanDerWaalsContact CG1-CB 3.49Å; V573-L642 HydrophobicContact CG1-CD2 4.44Å; V573-L642 HydrophobicContact CG1-CG 4.5Å; V573-L642 HydrophobicContact CG2-CB 4.26Å
574	Q	82.8	Confident	84.9	Confident	82 Å²	82	54.1 Å²	54.1	38%	0.383	28%	0.282	S	S	.	.			trans	-63.6	127.2	172.9	-60.1	-64.9	-13.5	0	0	112.4	H576 E577 M640	Q574-H576 VanDerWaalsContact C-N 3.26Å; Q574-H576 WeakPolarHBondContact CB-ND1 3.33Å; Q574-H576 PolarHBondContact O-N 2.95Å; Q574-E577 PolarHBondContact O-N 3.17Å; Q574-M640 PolarHBondContact N-O 3.13Å
575	N	78.8	Confident	84.7	Confident	138 Å²	138	54 Å²	54	74%	0.738	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-56.7	-29.6	-170.8	-71.3	-19.1	0	0	0	115.8	V573 E577 I578	V573-N575 PolarHBondContact O-N 2.8Å; N575-E577 VanDerWaalsContact C-N 3.31Å; N575-E577 PolarHBondContact O-N 3.05Å; N575-I578 PolarHBondContact O-N 3.12Å
576	H	80.1	Confident	84.4	Confident	141 Å²	141	58.8 Å²	58.8	65%	0.653	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-64.7	-27.3	-175.4	72.7	-49.6	0	0	0	115	Q574	Q574-H576 VanDerWaalsContact C-N 3.26Å; Q574-H576 WeakPolarHBondContact CB-ND1 3.33Å; Q574-H576 PolarHBondContact O-N 2.95Å
577	E	72.4	Confident	84.3	Confident	20 Å²	20	61.4 Å²	61.4	9%	0.093	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-91.7	-11.4	-177.2	-72.7	170.7	150.1	0	0	112.7	R458 Q574 N575 L642	R458-E577 IonicContact CZ-OE1 2.91Å; R458-E577 IonicContact NH1-OE1 2.73Å; R458-E577 IonicContact NH2-OE1 3.79Å; R458-E577 PolarHBondContact NH2-OE1 3.45Å; Q574-E577 PolarHBondContact O-N 3.17Å; N575-E577 VanDerWaalsContact C-N 3.31Å; N575-E577 PolarHBondContact O-N 3.05Å; E577-L642 HydrophobicContact CB-CB 4.21Å; E577-L642 PolarHBondContact OE2-N 3.27Å
578	I	83.5	Confident	84.2	Confident	19 Å²	19	58.5 Å²	58.5	10%	0.097	29%	0.288	C	S	.	.	H	α-helix	trans	-74.8	-44.8	-170.6	-59	180	0	0	0	111.2	F570 V573 N575 L580 T581 K582	F570-I578 HydrophobicContact CB-CD1 4.35Å; F570-I578 HydrophobicContact CD1-CG2 4.19Å; F570-I578 HydrophobicContact CD2-CG2 4.27Å; F570-I578 HydrophobicContact CE1-CG2 4.42Å; F570-I578 HydrophobicContact CE2-CG2 4.49Å; F570-I578 HydrophobicContact CG-CG2 4.11Å; V573-I578 HydrophobicContact CB-CD1 4.48Å; V573-I578 HydrophobicContact CG1-CD1 4.37Å; V573-I578 HydrophobicContact CG1-CG1 3.99Å; N575-I578 PolarHBondContact O-N 3.12Å; I578-L580 PolarHBondContact O-N 3.09Å; I578-T581 PolarHBondContact O-N 3.39Å; I578-K582 HydrophobicContact CG2-CB 4.22Å; I578-K582 HydrophobicContact CG2-CD 4.35Å; I578-K582 WeakPolarHBondContact O-CB 3.24Å; I578-K582 PolarHBondContact O-N 2.92Å
579	E	83.6	Confident	83.5	Confident	132 Å²	132	59.3 Å²	59.3	62%	0.617	29%	0.294	S	S	*	.	H	α-helix	trans	-61.6	-43.6	-167.1	-158.2	66.7	-161.6	0	0	112.6
580	L	82.7	Confident	82.3	Confident	113 Å²	113	66.6 Å²	66.6	59%	0.592	33%	0.33	S	S	*	.	H	α-helix	trans	-63	-49.3	178.1	-73.3	164.9	0	0	0	111.5	I578 H584	I578-L580 PolarHBondContact O-N 3.09Å; L580-H584 PolarHBondContact O-CD2 2.82Å
581	T	86.8	Confident	81.3	Confident	2 Å²	2	69.6 Å²	69.6	1%	0.012	35%	0.348	C	S	.	.	H	α-helix	trans	-73.4	-33.5	-176.8	-54.4	0	0	0	0	111.8	I578 V583 H584 V585 L642 A645	I578-T581 PolarHBondContact O-N 3.39Å; T581-V583 PolarHBondContact O-N 3.39Å; T581-H584 WeakPolarHBondContact O-CB 3.27Å; T581-H584 PolarHBondContact O-N 3.49Å; T581-H584 VanDerWaalsContact O-N 3.13Å; T581-V585 HydrophobicContact CG2-CG2 4.21Å; T581-V585 WeakPolarHBondContact O-CG2 3.35Å; T581-V585 PolarHBondContact O-N 3.15Å; T581-L642 HydrophobicContact CG2-CD2 4.16Å; T581-A645 HydrophobicContact CG2-CB 3.82Å
582	K	86.3	Confident	80.3	Confident	76 Å²	76	66 Å²	66	33%	0.33	33%	0.327	S	S	.	.	H	α-helix	trans	-60.7	-43.1	-178.2	-179.9	178.4	175.4	-171	0	112.4	F570 I578 H584 V585 E586	F570-K582 HydrophobicContact CE2-CB 4.27Å; F570-K582 HydrophobicContact CE2-CG 4.18Å; F570-K582 HydrophobicContact CZ-CB 4.32Å; I578-K582 HydrophobicContact CG2-CB 4.22Å; I578-K582 HydrophobicContact CG2-CD 4.35Å; I578-K582 WeakPolarHBondContact O-CB 3.24Å; I578-K582 PolarHBondContact O-N 2.92Å; K582-H584 PolarHBondContact O-N 3.18Å; K582-V585 PolarHBondContact O-N 3.16Å; K582-E586 WeakPolarHBondContact CE-OE1 3.38Å; K582-E586 HydrophobicContact CG-CG 4.4Å; K582-E586 WeakPolarHBondContact O-CG 3.23Å; K582-E586 PolarHBondContact O-N 2.96Å
583	V	86.1	Confident	79.9	Confident	69 Å²	69	65.6 Å²	65.6	42%	0.418	33%	0.326	S	S	.	.	H	α-helix	trans	-60.3	-37	177	176.7	0	0	0	0	111.4	T581 R587	T581-V583 PolarHBondContact O-N 3.39Å; V583-R587 WeakPolarHBondContact O-CB 3.47Å; V583-R587 PolarHBondContact O-N 2.92Å; V583-R587 VanDerWaalsContact O-N 3.09Å
584	H	84.8	Confident	79.4	Confident	34 Å²	34	67.7 Å²	67.7	16%	0.157	33%	0.332	C	S	.	.	H	α-helix	trans	-71.2	-42.2	175.7	-76.7	-94.6	0	0	0	112.3	C425 L580 T581 K582 R587 N588	C425-H584 HydrophobicContact CB-CB 4.05Å; L580-H584 PolarHBondContact O-CD2 2.82Å; T581-H584 WeakPolarHBondContact O-CB 3.27Å; T581-H584 PolarHBondContact O-N 3.49Å; T581-H584 VanDerWaalsContact O-N 3.13Å; K582-H584 PolarHBondContact O-N 3.18Å; H584-R587 PolarHBondContact CE1-NH1 2.81Å; H584-R587 PolarHBondContact ND1-NH1 3.06Å; H584-R587 PolarHBondContact O-N 2.98Å; H584-N588 VanDerWaalsContact O-CB 3.3Å; H584-N588 WeakPolarHBondContact O-CB 3.33Å; H584-N588 PolarHBondContact O-N 3.44Å; H584-N588 PolarHBondContact O-OD1 3.13Å
585	V	85.1	Confident	79.5	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.012	32%	0.321	C	S	.	.	H	α-helix	trans	-60.1	-46.3	175.2	170	0	0	0	0	111	D566 F570 T581 K582 R587 N588 A589 T595 A645	D566-V585 HydrophobicContact CB-CG1 3.85Å; F570-V585 HydrophobicContact CZ-CG2 4.29Å; T581-V585 HydrophobicContact CG2-CG2 4.21Å; T581-V585 WeakPolarHBondContact O-CG2 3.35Å; T581-V585 PolarHBondContact O-N 3.15Å; K582-V585 PolarHBondContact O-N 3.16Å; V585-R587 PolarHBondContact O-N 2.89Å; V585-N588 PolarHBondContact O-N 2.94Å; V585-A589 VanDerWaalsContact O-CB 3.29Å; V585-A589 WeakPolarHBondContact O-CB 3.43Å; V585-A589 PolarHBondContact O-N 3.43Å; V585-T595 HydrophobicContact CG1-CG2 4.15Å; V585-A645 HydrophobicContact CG2-CB 3.46Å; V585-A645 VanDerWaalsContact CG2-CB 3.46Å
586	E	79.7	Confident	80.1	Confident	107 Å²	107	59.9 Å²	59.9	50%	0.5	29%	0.294	S	S	.	.	H	α-helix	trans	-64.1	-41.5	178.7	-73.4	-179.5	178.1	0	0	112.1	K582 A589 M590	K582-E586 WeakPolarHBondContact CE-OE1 3.38Å; K582-E586 HydrophobicContact CG-CG 4.4Å; K582-E586 WeakPolarHBondContact O-CG 3.23Å; K582-E586 PolarHBondContact O-N 2.96Å; E586-A589 PolarHBondContact O-N 3.14Å; E586-M590 WeakPolarHBondContact O-CB 3.42Å; E586-M590 VanDerWaalsContact O-CG 3.28Å; E586-M590 WeakPolarHBondContact O-CG 3.45Å; E586-M590 PolarHBondContact O-N 3.02Å
587	R	81.6	Confident	80.7	Confident	102 Å²	102	53.1 Å²	53.1	39%	0.385	26%	0.263	S	S	.	.	H	α-helix	trans	-62.2	-47.6	174.5	-172	-174.7	-57.5	116.2	-0.8	111.5	V583 H584 V585 A589 M590 D591	V583-R587 WeakPolarHBondContact O-CB 3.47Å; V583-R587 PolarHBondContact O-N 2.92Å; V583-R587 VanDerWaalsContact O-N 3.09Å; H584-R587 PolarHBondContact CE1-NH1 2.81Å; H584-R587 PolarHBondContact ND1-NH1 3.06Å; H584-R587 PolarHBondContact O-N 2.98Å; V585-R587 PolarHBondContact O-N 2.89Å; R587-A589 VanDerWaalsContact C-N 3.31Å; R587-A589 PolarHBondContact O-N 2.78Å; R587-M590 WeakPolarHBondContact O-CA 2.91Å; R587-M590 WeakPolarHBondContact O-CB 3.42Å; R587-M590 PolarHBondContact O-N 3.39Å; R587-M590 VanDerWaalsContact O-N 3.1Å; R587-D591 VanDerWaalsContact O-CG 3.31Å; R587-D591 PolarHBondContact O-N 2.89Å
588	N	79.7	Confident	81.8	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-67.1	-35.4	-178.3	-69.3	2.4	0	0	0	111.5	E423 H584 V585 D591 G592 Y593 T595 A647	E423-N588 VanDerWaalsContact OE1-CG 3.23Å; E423-N588 PolarHBondContact OE1-ND2 2.71Å; E423-N588 PolarHBondContact OE1-OD1 3.46Å; H584-N588 VanDerWaalsContact O-CB 3.3Å; H584-N588 WeakPolarHBondContact O-CB 3.33Å; H584-N588 PolarHBondContact O-N 3.44Å; H584-N588 PolarHBondContact O-OD1 3.13Å; V585-N588 PolarHBondContact O-N 2.94Å; N588-D591 PolarHBondContact O-N 3.26Å; N588-G592 PolarHBondContact O-N 3.47Å; N588-G592 VanDerWaalsContact O-N 3.08Å; N588-Y593 HydrophobicContact CB-CD2 4.04Å; N588-Y593 WeakPolarHBondContact O-CB 3.22Å; N588-Y593 PolarHBondContact O-N 3.22Å; N588-T595 HydrophobicContact CB-CG2 3.79Å; N588-A647 HydrophobicContact CB-CB 4.14Å
589	A	71.3	Confident	82.3	Confident	26 Å²	26	51.4 Å²	51.4	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-66.9	-36.3	171.9	0	0	0	0	0	112.3	V585 E586 R587 G592 T595	V585-A589 VanDerWaalsContact O-CB 3.29Å; V585-A589 WeakPolarHBondContact O-CB 3.43Å; V585-A589 PolarHBondContact O-N 3.43Å; E586-A589 PolarHBondContact O-N 3.14Å; R587-A589 VanDerWaalsContact C-N 3.31Å; R587-A589 PolarHBondContact O-N 2.78Å; A589-G592 PolarHBondContact O-N 3.22Å; A589-T595 HydrophobicContact CB-CG2 4.39Å
590	M	66.1	Low	82.8	Confident	153 Å²	153	46.6 Å²	46.6	75%	0.754	23%	0.232	S	C	*	.	H	α-helix	trans	-64.2	-43.7	172.1	-76.3	-111.3	-68.3	0	0	111.7	E586 R587 G592 S683	E586-M590 WeakPolarHBondContact O-CB 3.42Å; E586-M590 VanDerWaalsContact O-CG 3.28Å; E586-M590 WeakPolarHBondContact O-CG 3.45Å; E586-M590 PolarHBondContact O-N 3.02Å; R587-M590 WeakPolarHBondContact O-CA 2.91Å; R587-M590 WeakPolarHBondContact O-CB 3.42Å; R587-M590 PolarHBondContact O-N 3.39Å; R587-M590 VanDerWaalsContact O-N 3.1Å; M590-G592 PolarHBondContact O-N 3.15Å; M590-S683 PolarHBondContact O-OG 2.9Å
591	D	68.8	Low	83.4	Confident	89 Å²	89	43.5 Å²	43.5	48%	0.476	21%	0.213	S	C	.	.	H	α-helix	trans	-68.7	-11.9	177	-64.5	-18.2	0	0	0	112.4	R587 N588 Y593 S683	R587-D591 VanDerWaalsContact O-CG 3.31Å; R587-D591 PolarHBondContact O-N 2.89Å; N588-D591 PolarHBondContact O-N 3.26Å; D591-Y593 HydrophobicContact CB-CD2 4.09Å; D591-Y593 HydrophobicContact CB-CE2 3.85Å; D591-S683 VanDerWaalsContact C-OG 3.3Å; D591-S683 PolarHBondContact O-OG 3.39Å
592	G	68.6	Low	83.7	Confident	15 Å²	15	49.4 Å²	49.4	16%	0.155	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.7	8.5	170.8	0	0	0	0	0	115.6	N588 A589 M590 S683	N588-G592 PolarHBondContact O-N 3.47Å; N588-G592 VanDerWaalsContact O-N 3.08Å; A589-G592 PolarHBondContact O-N 3.22Å; M590-G592 PolarHBondContact O-N 3.15Å; G592-S683 WeakPolarHBondContact CA-OG 3.43Å; G592-S683 PolarHBondContact N-OG 3.43Å
593	Y	79.3	Confident	84	Confident	44 Å²	44	46.2 Å²	46.2	17%	0.173	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-76.8	142.2	175.5	-50.3	-40.4	0	0	0	110.8	N588 D591 T595 A647 V648 E649	N588-Y593 HydrophobicContact CB-CD2 4.04Å; N588-Y593 WeakPolarHBondContact O-CB 3.22Å; N588-Y593 PolarHBondContact O-N 3.22Å; D591-Y593 HydrophobicContact CB-CD2 4.09Å; D591-Y593 HydrophobicContact CB-CE2 3.85Å; Y593-T595 PolarHBondContact O-N 3.23Å; Y593-A647 HydrophobicContact CD2-CB 4.03Å; Y593-A647 HydrophobicContact CG-CB 4.17Å; Y593-V648 CarbonylContact C-O 3.54Å; Y593-V648 WeakPolarHBondContact CA-O 3.46Å; Y593-E649 HydrophobicContact CD1-CB 3.68Å; Y593-E649 HydrophobicContact CD1-CG 3.95Å; Y593-E649 HydrophobicContact CE1-CB 3.88Å; Y593-E649 HydrophobicContact CE1-CG 3.9Å
594	R	79.9	Confident	84.3	Confident	53 Å²	53	45.3 Å²	45.3	20%	0.2	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	117.3	165.5	-66.1	-177.8	171.4	-155.8	-4	108.2	M419 D497 A647 V648 D676	M419-R594 VanDerWaalsContact CE-CZ 3.49Å; D497-R594 IonicContact OD1-CZ 2.63Å; D497-R594 IonicContact OD1-NH1 2.62Å; D497-R594 PolarHBondContact OD1-NH1 3.48Å; D497-R594 IonicContact OD2-NH1 2.8Å; D497-R594 PolarHBondContact OD2-NH1 3.36Å; R594-A647 WeakPolarHBondContact O-CA 3.25Å; R594-V648 HydrophobicContact CB-CB 4.38Å; R594-V648 WeakPolarHBondContact CB-O 3.3Å; R594-V648 PolarHBondContact N-O 2.56Å; R594-V648 PolarHBondContact O-N 3.39Å; R594-D676 IonicContact NH2-OD2 3.76Å
595	T	85.4	Confident	84.5	Confident	22 Å²	22	47.8 Å²	47.8	14%	0.135	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	130.6	179.6	56.5	0	0	0	0	111.3	V585 N588 A589 Y593 T646	V585-T595 HydrophobicContact CG1-CG2 4.15Å; N588-T595 HydrophobicContact CB-CG2 3.79Å; A589-T595 HydrophobicContact CB-CG2 4.39Å; Y593-T595 PolarHBondContact O-N 3.23Å; T595-T646 VanDerWaalsContact CA-O 3.31Å; T595-T646 WeakPolarHBondContact CA-O 3.46Å
596	L	90.8	Very high	84.7	Confident	34 Å²	34	54.6 Å²	54.6	18%	0.178	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	128.1	172.5	-67.3	157.3	0	0	0	108.8	L501 G564 A645 T646	L501-L596 HydrophobicContact CD1-CD1 4Å; G564-L596 WeakPolarHBondContact O-CA 3.35Å; L596-A645 CarbonylContact O-C 3.53Å; L596-A645 VanDerWaalsContact O-CA 3.23Å; L596-A645 WeakPolarHBondContact O-CA 3.33Å; L596-T646 WeakPolarHBondContact CB-OG1 3.48Å; L596-T646 PolarHBondContact N-O 2.9Å; L596-T646 PolarHBondContact O-N 2.8Å; L596-T646 PolarHBondContact O-OG1 3.3Å
597	C	92.8	Very high	85.2	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	140.1	173.3	-65	0	0	0	0	109.3	K563 G564 V569 F570 L642	K563-C597 VanDerWaalsContact CA-O 3.3Å; K563-C597 WeakPolarHBondContact CA-O 3.46Å; G564-C597 PolarHBondContact N-O 3.45Å; G564-C597 PolarHBondContact O-N 3.02Å; V569-C597 HydrophobicContact CB-CB 4.02Å; V569-C597 HydrophobicContact CG1-CB 4.02Å; V569-C597 HydrophobicContact CG2-CB 4.33Å; F570-C597 WeakPolarHBondContact CE1-SG 3.39Å; C597-L642 HydrophobicContact CB-CD1 4.19Å
598	V	94.7	Very high	85.6	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.012	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.4	179.2	-172.8	0	0	0	0	108.6	F462 A465 L466 K563 I643 G644 T646	F462-V598 HydrophobicContact CD2-CB 4.41Å; F462-V598 HydrophobicContact CE2-CB 4.03Å; F462-V598 HydrophobicContact CE2-CG2 4.09Å; A465-V598 HydrophobicContact CB-CG1 3.63Å; L466-V598 HydrophobicContact CD2-CG2 4.08Å; K563-V598 HydrophobicContact CB-CG2 4.4Å; V598-I643 HydrophobicContact CG1-CD1 4.47Å; V598-I643 PolarHBondContact O-N 2.91Å; V598-G644 PolarHBondContact N-O 3.16Å; V598-G644 PolarHBondContact O-N 3.05Å; V598-T646 HydrophobicContact CG2-CG2 4.37Å
599	A	94.6	Very high	86.1	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	157.9	-179.1	0	0	0	0	0	110	C562 V569 V573 M640 N641	C562-A599 PolarHBondContact N-O 3.46Å; C562-A599 PolarHBondContact O-N 3.2Å; C562-A599 VanDerWaalsContact O-O 3.11Å; V569-A599 HydrophobicContact CG1-CB 4.09Å; V573-A599 HydrophobicContact CG2-CB 4.3Å; A599-M640 HydrophobicContact CB-CB 3.95Å; A599-M640 HydrophobicContact CB-SD 4.43Å; A599-N641 CarbonylContact C-O 3.56Å; A599-N641 WeakPolarHBondContact CA-O 3.49Å; A599-N641 VanDerWaalsContact CB-O 3.31Å; A599-N641 WeakPolarHBondContact CB-O 3.35Å
600	F	94.6	Very high	87.1	Confident	32 Å²	32	58.1 Å²	58.1	14%	0.14	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	162.2	172.1	81	-65.6	0	0	0	111.8	L461 L559 L560 F561 N641 I643	L461-F600 HydrophobicContact CD2-CD1 3.86Å; L461-F600 HydrophobicContact CD2-CD2 4.17Å; L461-F600 HydrophobicContact CD2-CE1 3.62Å; L461-F600 HydrophobicContact CD2-CE2 3.96Å; L461-F600 HydrophobicContact CD2-CG 4.11Å; L461-F600 HydrophobicContact CD2-CZ 3.67Å; L559-F600 HydrophobicContact CD2-CD2 4.36Å; L560-F600 CarbonylContact O-C 3.55Å; L560-F600 WeakPolarHBondContact O-CA 3.37Å; F561-F600 HydrophobicContact CD1-CB 3.78Å; F561-F600 HydrophobicContact CE1-CB 3.95Å; F600-N641 HydrophobicContact CD1-CB 4.08Å; F600-N641 HydrophobicContact CE1-CB 3.74Å; F600-N641 HydrophobicContact CZ-CB 4.36Å; F600-N641 PolarHBondContact N-O 3.48Å; F600-N641 PolarHBondContact O-N 3.42Å; F600-I643 HydrophobicContact CB-CD1 4.03Å; F600-I643 HydrophobicContact CD1-CD1 3.64Å; F600-I643 HydrophobicContact CD1-CG1 3.45Å; F600-I643 VanDerWaalsContact CD1-CG1 3.45Å; F600-I643 HydrophobicContact CE1-CD1 4.49Å; F600-I643 HydrophobicContact CE1-CG1 4.08Å; F600-I643 HydrophobicContact CG-CD1 4.11Å; F600-I643 HydrophobicContact CG-CG1 4.38Å
601	K	94	Very high	88.2	Confident	47 Å²	47	51.4 Å²	51.4	20%	0.204	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	131.5	172.8	177.3	177.3	173.7	-177.5	0	109	L560 I636 T638 M640	L560-K601 HydrophobicContact CB-CB 4.32Å; L560-K601 HydrophobicContact CD2-CB 4.22Å; L560-K601 HydrophobicContact CD2-CD 4.42Å; L560-K601 PolarHBondContact N-O 2.83Å; L560-K601 PolarHBondContact O-N 2.8Å; K601-I636 PolarHBondContact NZ-O 3.22Å; K601-I636 VanDerWaalsContact NZ-O 3.1Å; K601-T638 WeakPolarHBondContact CD-O 3.34Å; K601-T638 WeakPolarHBondContact CE-O 3.35Å; K601-T638 PolarHBondContact NZ-O 3.37Å; K601-M640 HydrophobicContact CB-CG 4.18Å; K601-M640 HydrophobicContact CD-CG 4.49Å
602	E	93.3	Very high	89	Confident	127 Å²	127	48.6 Å²	48.6	59%	0.593	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	130.5	170.9	-163.1	-179.8	163.9	0	0	108.9	L559	L559-E602 HydrophobicContact CD2-CB 4.27Å; L559-E602 HydrophobicContact CD2-CG 4.14Å
603	I	93.2	Very high	89.9	Confident	9 Å²	9	56 Å²	56	5%	0.046	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.1	-177.7	-59.5	179.9	0	0	0	108.5	I550 I558 L560 D607 I611	I550-I603 HydrophobicContact CD1-CD1 4.45Å; I558-I603 HydrophobicContact CG2-CB 4.25Å; I558-I603 PolarHBondContact O-N 2.82Å; L560-I603 HydrophobicContact CB-CD1 3.78Å; L560-I603 HydrophobicContact CB-CG1 4.26Å; I603-D607 HydrophobicContact CG2-CB 4.19Å; I603-I611 HydrophobicContact CD1-CD1 4.39Å; I603-I611 HydrophobicContact CG2-CD1 4.18Å
604	A	92	Very high	90.2	Very high	50 Å²	50	57.1 Å²	57.1	41%	0.413	28%	0.277	S	S	.	.			trans	-63.8	142.2	173.6	0	0	0	0	0	110.6	D606 D607 Y608	A604-D606 VanDerWaalsContact C-N 3.26Å; A604-D606 PolarHBondContact O-N 2.9Å; A604-D607 HydrophobicContact CB-CB 4.34Å; A604-D607 PolarHBondContact O-N 2.84Å; A604-Y608 PolarHBondContact O-N 2.9Å
605	P	89.8	Confident	90.3	Very high	86 Å²	86	54.7 Å²	54.7	56%	0.558	27%	0.268	S	S	*	.	H	α-helix	trans	-53.9	-40.5	-177.4	-26.4	33.6	0	0	0	113.7	Y608 E609	P605-Y608 PolarHBondContact O-N 3.17Å; P605-E609 PolarHBondContact O-N 2.58Å; P605-E609 VanDerWaalsContact O-N 3.13Å
606	D	89.5	Confident	89.9	Confident	144 Å²	144	57.4 Å²	57.4	77%	0.77	28%	0.281	S	S	*	.	H	α-helix	trans	-66.6	-37.8	178.9	-60.3	-23.3	0	0	0	112.3	A604 R610	A604-D606 VanDerWaalsContact C-N 3.26Å; A604-D606 PolarHBondContact O-N 2.9Å; D606-R610 PolarHBondContact O-N 3.41Å
607	D	89.9	Confident	89.4	Confident	71 Å²	71	62.4 Å²	62.4	38%	0.38	30%	0.304	S	S	.	.	H	α-helix	trans	-71.4	-35.4	175.6	-97.7	-35.3	0	0	0	111.5	I603 A604 R610 I611	I603-D607 HydrophobicContact CG2-CB 4.19Å; A604-D607 HydrophobicContact CB-CB 4.34Å; A604-D607 PolarHBondContact O-N 2.84Å; D607-R610 WeakPolarHBondContact O-CB 3.41Å; D607-R610 PolarHBondContact O-N 2.72Å; D607-R610 IonicContact OD1-CZ 3.46Å; D607-R610 IonicContact OD1-NE 3.37Å; D607-R610 PolarHBondContact OD1-NE 3.35Å; D607-R610 VanDerWaalsContact OD1-NE 3.13Å; D607-R610 IonicContact OD1-NH2 2.72Å; D607-R610 PolarHBondContact OD1-NH2 3.22Å; D607-I611 WeakPolarHBondContact O-CB 3.47Å; D607-I611 VanDerWaalsContact O-CG1 3.25Å; D607-I611 WeakPolarHBondContact O-CG1 3.45Å; D607-I611 PolarHBondContact O-N 2.91Å
608	Y	90.4	Very high	88.6	Confident	17 Å²	17	62.7 Å²	62.7	7%	0.067	31%	0.306	C	S	.	.	H	α-helix	trans	-61.4	-44.2	174.3	174.6	-102.5	0	0	0	111.3	L535 H536 I550 I558 A604 P605 R610 I611 N612	L535-Y608 HydrophobicContact CB-CE2 4.29Å; L535-Y608 WeakPolarHBondContact CB-OH 3.22Å; L535-Y608 HydrophobicContact CD1-CD2 4.48Å; L535-Y608 HydrophobicContact CD1-CE1 4.1Å; L535-Y608 HydrophobicContact CD1-CE2 3.88Å; H536-Y608 PolarHBondContact CD2-OH 3.26Å; H536-Y608 VanDerWaalsContact CD2-OH 3.29Å; H536-Y608 PolarHBondContact NE2-OH 2.75Å; I550-Y608 HydrophobicContact CD1-CE2 4.48Å; I550-Y608 HydrophobicContact CG2-CD2 4.11Å; I550-Y608 HydrophobicContact CG2-CE2 3.88Å; I558-Y608 HydrophobicContact CD1-CD1 3.8Å; I558-Y608 HydrophobicContact CD1-CD2 4.45Å; I558-Y608 HydrophobicContact CD1-CG 3.72Å; I558-Y608 HydrophobicContact CG2-CD2 4.12Å; I558-Y608 HydrophobicContact CG2-CG 4.37Å; A604-Y608 PolarHBondContact O-N 2.9Å; P605-Y608 PolarHBondContact O-N 3.17Å; Y608-R610 VanDerWaalsContact C-N 3.29Å; Y608-R610 PolarHBondContact O-N 2.86Å; Y608-I611 PolarHBondContact O-N 2.94Å; Y608-N612 HydrophobicContact CE1-CB 4.25Å; Y608-N612 HydrophobicContact CE2-CB 4.5Å; Y608-N612 WeakPolarHBondContact O-CB 3.25Å; Y608-N612 PolarHBondContact O-N 3.17Å
609	E	90	Very high	87.2	Confident	105 Å²	105	65.8 Å²	65.8	49%	0.491	32%	0.319	S	S	.	.	H	α-helix	trans	-62.5	-35.8	177.3	-73.8	-60.1	156.4	0	0	112.8	P605 R613	P605-E609 PolarHBondContact O-N 2.58Å; P605-E609 VanDerWaalsContact O-N 3.13Å; E609-R613 WeakPolarHBondContact O-CB 3.34Å; E609-R613 PolarHBondContact O-N 3.44Å; E609-R613 VanDerWaalsContact O-N 3.16Å
610	R	90.8	Very high	85.9	Confident	120 Å²	120	71.2 Å²	71.2	45%	0.453	35%	0.346	S	S	.	.	H	α-helix	trans	-64.3	-49.8	172.3	178.8	177.7	66.4	99.5	-5.3	111.3	D606 D607 Y608 R613 Q614	D606-R610 PolarHBondContact O-N 3.41Å; D607-R610 WeakPolarHBondContact O-CB 3.41Å; D607-R610 PolarHBondContact O-N 2.72Å; D607-R610 IonicContact OD1-CZ 3.46Å; D607-R610 IonicContact OD1-NE 3.37Å; D607-R610 PolarHBondContact OD1-NE 3.35Å; D607-R610 VanDerWaalsContact OD1-NE 3.13Å; D607-R610 IonicContact OD1-NH2 2.72Å; D607-R610 PolarHBondContact OD1-NH2 3.22Å; Y608-R610 VanDerWaalsContact C-N 3.29Å; Y608-R610 PolarHBondContact O-N 2.86Å; R610-R613 PolarHBondContact O-N 3Å; R610-Q614 WeakPolarHBondContact O-CG 3.46Å; R610-Q614 PolarHBondContact O-N 2.89Å; R610-Q614 VanDerWaalsContact O-N 3.1Å
611	I	89.2	Confident	84.5	Confident	12 Å²	12	70.6 Å²	70.6	6%	0.062	35%	0.347	C	S	.	.	H	α-helix	trans	-60.3	-46.3	178.9	-72.8	166.6	0	0	0	110.6	I603 D607 Y608 R613 Q614 L615 I636	I603-I611 HydrophobicContact CD1-CD1 4.39Å; I603-I611 HydrophobicContact CG2-CD1 4.18Å; D607-I611 WeakPolarHBondContact O-CB 3.47Å; D607-I611 VanDerWaalsContact O-CG1 3.25Å; D607-I611 WeakPolarHBondContact O-CG1 3.45Å; D607-I611 PolarHBondContact O-N 2.91Å; Y608-I611 PolarHBondContact O-N 2.94Å; I611-R613 VanDerWaalsContact C-N 3.31Å; I611-R613 PolarHBondContact O-N 3.18Å; I611-Q614 PolarHBondContact O-N 3.31Å; I611-L615 WeakPolarHBondContact O-CB 3.48Å; I611-L615 PolarHBondContact O-N 3.36Å; I611-I636 HydrophobicContact CB-CG1 4.47Å; I611-I636 HydrophobicContact CD1-CG1 4.29Å; I611-I636 HydrophobicContact CG1-CG1 4.12Å; I611-I636 HydrophobicContact CG2-CD1 3.46Å; I611-I636 VanDerWaalsContact CG2-CD1 3.46Å; I611-I636 HydrophobicContact CG2-CG1 3.6Å
612	N	86.7	Confident	82.4	Confident	30 Å²	30	76.1 Å²	76.1	16%	0.16	38%	0.378	C	S	.	.	H	α-helix	trans	-58.7	-44.4	-179.7	-172.7	25.7	0	0	0	110.8	H536 Y608 L615 I616	H536-N612 PolarHBondContact CE1-OD1 2.68Å; H536-N612 PolarHBondContact NE2-OD1 3.05Å; Y608-N612 HydrophobicContact CE1-CB 4.25Å; Y608-N612 HydrophobicContact CE2-CB 4.5Å; Y608-N612 WeakPolarHBondContact O-CB 3.25Å; Y608-N612 PolarHBondContact O-N 3.17Å; N612-L615 PolarHBondContact O-N 3.49Å; N612-I616 WeakPolarHBondContact O-CB 2.99Å; N612-I616 WeakPolarHBondContact O-CD1 3.37Å; N612-I616 WeakPolarHBondContact O-CG1 3.21Å; N612-I616 PolarHBondContact O-N 3.34Å; N612-I616 WeakPolarHBondContact OD1-CD1 3.13Å
613	R	86.3	Confident	80.7	Confident	170 Å²	170	77.2 Å²	77.2	64%	0.642	38%	0.383	S	S	*	.	H	α-helix	trans	-63.2	-47.7	176.7	-162.8	-176.6	-50.6	141.7	11.6	112.4	E609 R610 I611 L615 I616 E617	E609-R613 WeakPolarHBondContact O-CB 3.34Å; E609-R613 PolarHBondContact O-N 3.44Å; E609-R613 VanDerWaalsContact O-N 3.16Å; R610-R613 PolarHBondContact O-N 3Å; I611-R613 VanDerWaalsContact C-N 3.31Å; I611-R613 PolarHBondContact O-N 3.18Å; R613-L615 VanDerWaalsContact C-N 3.3Å; R613-L615 PolarHBondContact O-N 3.48Å; R613-I616 PolarHBondContact O-N 2.87Å; R613-E617 WeakPolarHBondContact O-CB 3.47Å; R613-E617 PolarHBondContact O-N 3.07Å
614	Q	86.5	Confident	79.5	Confident	69 Å²	69	82 Å²	82	32%	0.322	41%	0.409	S	S	.	.	H	α-helix	trans	-62.7	-38.9	177.4	-71.8	-178.5	-41	0	0	111.8	R610 I611 E617 A618 V632	R610-Q614 WeakPolarHBondContact O-CG 3.46Å; R610-Q614 PolarHBondContact O-N 2.89Å; R610-Q614 VanDerWaalsContact O-N 3.1Å; I611-Q614 PolarHBondContact O-N 3.31Å; Q614-E617 PolarHBondContact O-N 3.46Å; Q614-A618 WeakPolarHBondContact O-CB 3.42Å; Q614-A618 PolarHBondContact O-N 2.99Å; Q614-V632 HydrophobicContact CB-CG1 4.44Å; Q614-V632 HydrophobicContact CB-CG2 4.38Å
615	L	81.3	Confident	78.3	Confident	1 Å²	1	84.1 Å²	84.1	1%	0.005	41%	0.406	C	S	.	.	H	α-helix	trans	-68.9	-42.4	179	-177.5	61.1	0	0	0	111.8	H536 I611 N612 R613 A618 K619 V632 F633	H536-L615 HydrophobicContact CB-CD2 4.07Å; H536-L615 WeakPolarHBondContact ND1-CD2 3.47Å; I611-L615 WeakPolarHBondContact O-CB 3.48Å; I611-L615 PolarHBondContact O-N 3.36Å; N612-L615 PolarHBondContact O-N 3.49Å; R613-L615 VanDerWaalsContact C-N 3.3Å; R613-L615 PolarHBondContact O-N 3.48Å; L615-A618 PolarHBondContact O-N 3.42Å; L615-K619 HydrophobicContact CG-CD 4.28Å; L615-K619 WeakPolarHBondContact O-CB 2.99Å; L615-K619 VanDerWaalsContact O-CG 3.25Å; L615-K619 WeakPolarHBondContact O-CG 3.32Å; L615-K619 PolarHBondContact O-N 2.94Å; L615-V632 HydrophobicContact CB-CG1 4.31Å; L615-V632 HydrophobicContact CD1-CG1 4.22Å; L615-F633 HydrophobicContact CD1-CD1 4.19Å; L615-F633 HydrophobicContact CD1-CE1 3.55Å
616	I	78.6	Confident	77.2	Confident	80 Å²	80	87 Å²	87	41%	0.41	41%	0.412	S	S	.	.	H	α-helix	trans	-63.9	-44.8	174.1	-67.9	164.2	0	0	0	109.9	N612 R613 A618 K619 M620	N612-I616 WeakPolarHBondContact O-CB 2.99Å; N612-I616 WeakPolarHBondContact O-CD1 3.37Å; N612-I616 WeakPolarHBondContact O-CG1 3.21Å; N612-I616 PolarHBondContact O-N 3.34Å; N612-I616 WeakPolarHBondContact OD1-CD1 3.13Å; R613-I616 PolarHBondContact O-N 2.87Å; I616-A618 PolarHBondContact O-N 3.07Å; I616-K619 PolarHBondContact O-N 3.2Å; I616-M620 HydrophobicContact CG2-CG 4.17Å; I616-M620 WeakPolarHBondContact O-CB 3.3Å; I616-M620 VanDerWaalsContact O-CG 3.23Å; I616-M620 WeakPolarHBondContact O-CG 3.32Å; I616-M620 PolarHBondContact O-N 3.15Å
617	E	80.5	Confident	76.5	Confident	138 Å²	138	84.8 Å²	84.8	65%	0.645	40%	0.397	S	S	*	.	H	α-helix	trans	-59	-46.2	177.1	-174.3	-179.3	177.2	0	0	111.9	R613 Q614 M620 A621	R613-E617 WeakPolarHBondContact O-CB 3.47Å; R613-E617 PolarHBondContact O-N 3.07Å; Q614-E617 PolarHBondContact O-N 3.46Å; E617-M620 PolarHBondContact O-N 2.9Å; E617-A621 PolarHBondContact O-N 3.25Å; E617-A621 VanDerWaalsContact O-N 3.08Å
618	A	74.3	Confident	75.8	Confident	6 Å²	6	86.3 Å²	86.3	5%	0.05	40%	0.4	C	S	.	.	H	α-helix	trans	-64	-41.3	175.6	0	0	0	0	0	112.2	Q614 L615 I616 M620 A621 K628 V632	Q614-A618 WeakPolarHBondContact O-CB 3.42Å; Q614-A618 PolarHBondContact O-N 2.99Å; L615-A618 PolarHBondContact O-N 3.42Å; I616-A618 PolarHBondContact O-N 3.07Å; A618-M620 VanDerWaalsContact C-N 3.29Å; A618-M620 PolarHBondContact O-N 2.94Å; A618-A621 WeakPolarHBondContact O-CB 3.49Å; A618-A621 PolarHBondContact O-N 3.27Å; A618-K628 HydrophobicContact CB-CB 4.43Å; A618-V632 HydrophobicContact CB-CG2 3.98Å
619	K	65.6	Low	75.2	Confident	67 Å²	67	87.8 Å²	87.8	29%	0.291	41%	0.408	S	S	.	.	H	α-helix	trans	-64.7	-31.6	175.8	-77.9	174.8	178.3	177.2	0	112.8	H536 L615 I616	H536-K619 PolarHBondContact ND1-NZ 2.85Å; H536-K619 VanDerWaalsContact ND1-NZ 3.16Å; L615-K619 HydrophobicContact CG-CD 4.28Å; L615-K619 WeakPolarHBondContact O-CB 2.99Å; L615-K619 VanDerWaalsContact O-CG 3.25Å; L615-K619 WeakPolarHBondContact O-CG 3.32Å; L615-K619 PolarHBondContact O-N 2.94Å; I616-K619 PolarHBondContact O-N 3.2Å
620	M	67.3	Low	74.7	Confident	114 Å²	114	87.1 Å²	87.1	56%	0.562	41%	0.405	S	S	*	.	H	α-helix	trans	-86.7	-8.9	179.3	-65.5	-56.1	112.3	0	0	113.3	I616 E617 A618 L622	I616-M620 HydrophobicContact CG2-CG 4.17Å; I616-M620 WeakPolarHBondContact O-CB 3.3Å; I616-M620 VanDerWaalsContact O-CG 3.23Å; I616-M620 WeakPolarHBondContact O-CG 3.32Å; I616-M620 PolarHBondContact O-N 3.15Å; E617-M620 PolarHBondContact O-N 2.9Å; A618-M620 VanDerWaalsContact C-N 3.29Å; A618-M620 PolarHBondContact O-N 2.94Å; M620-L622 PolarHBondContact O-N 3.03Å
621	A	66.3	Low	74.3	Confident	19 Å²	19	87 Å²	87	16%	0.157	41%	0.408	C	S	.	.			trans	-66.7	130.6	177.7	0	0	0	0	0	111.8	E617 A618 R625 K628	E617-A621 PolarHBondContact O-N 3.25Å; E617-A621 VanDerWaalsContact O-N 3.08Å; A618-A621 WeakPolarHBondContact O-CB 3.49Å; A618-A621 PolarHBondContact O-N 3.27Å; A621-R625 WeakPolarHBondContact O-CB 3.13Å; A621-K628 HydrophobicContact CB-CD 4.01Å
622	L	48.6	Very low	74.2	Confident	163 Å²	163	87.3 Å²	87.3	85%	0.853	41%	0.41	S	S	*	.	S	Bend	trans	-90.5	-22.5	179.7	-64.6	172.9	0	0	0	113.4	M620	M620-L622 PolarHBondContact O-N 3.03Å
623	Q	58.6	Low	74.1	Confident	151 Å²	151	86.5 Å²	86.5	71%	0.706	41%	0.405	S	S	*	.	S	Bend	trans	-117.1	138.1	178.1	-67.8	178.1	-9.3	0	0	109.7	R625	Q623-R625 PolarHBondContact O-N 2.96Å; Q623-R625 VanDerWaalsContact O-N 3.13Å
624	D	68.1	Low	74.1	Confident	109 Å²	109	81.5 Å²	81.5	58%	0.583	39%	0.391	S	S	*	.	S	Bend	trans	50.1	36.1	-180	-49.6	-39.8	0	0	0	113.1	E626 E627 K628	D624-E626 VanDerWaalsContact C-N 3.28Å; D624-E626 PolarHBondContact O-N 3.19Å; D624-E627 HydrophobicContact CB-CB 4.48Å; D624-E627 PolarHBondContact O-N 2.93Å; D624-K628 WeakPolarHBondContact O-CB 3.27Å; D624-K628 WeakPolarHBondContact O-CG 3.28Å; D624-K628 PolarHBondContact O-N 3.41Å
625	R	65.9	Low	74	Confident	95 Å²	95	83 Å²	83	36%	0.358	40%	0.402	S	S	.	.	H	α-helix	trans	-54.7	-45.7	-177.6	-174.9	-178.1	67	-179.8	-1.9	111.3	A621 Q623 M629	A621-R625 WeakPolarHBondContact O-CB 3.13Å; Q623-R625 PolarHBondContact O-N 2.96Å; Q623-R625 VanDerWaalsContact O-N 3.13Å; R625-M629 WeakPolarHBondContact O-CB 3.15Å; R625-M629 PolarHBondContact O-N 3.02Å
626	E	66.8	Low	74.4	Confident	146 Å²	146	83.2 Å²	83.2	68%	0.682	40%	0.403	S	S	*	.	H	α-helix	trans	-63	-48.4	-178.7	-68.6	176.2	-177.5	0	0	111.4	D624 K628 M629 E630	D624-E626 VanDerWaalsContact C-N 3.28Å; D624-E626 PolarHBondContact O-N 3.19Å; E626-K628 PolarHBondContact O-N 2.72Å; E626-M629 PolarHBondContact O-N 3.05Å; E626-E630 WeakPolarHBondContact O-CB 3.45Å; E626-E630 PolarHBondContact O-N 2.89Å
627	E	74.4	Confident	75	Confident	97 Å²	97	79.4 Å²	79.4	45%	0.453	38%	0.383	S	S	.	.	H	α-helix	trans	-65.8	-40.6	179.3	-164.9	-167.3	148.3	0	0	112.1	D624 E630 K631	D624-E627 HydrophobicContact CB-CB 4.48Å; D624-E627 PolarHBondContact O-N 2.93Å; E627-E630 PolarHBondContact O-N 2.8Å; E627-K631 WeakPolarHBondContact O-CG 3.25Å; E627-K631 PolarHBondContact O-N 3.33Å; E627-K631 IonicContact OE1-NZ 2.85Å; E627-K631 PolarHBondContact OE1-NZ 3.46Å
628	K	75.3	Confident	75.3	Confident	104 Å²	104	75.6 Å²	75.6	45%	0.452	37%	0.369	S	S	.	.	H	α-helix	trans	-65.5	-41.9	175.4	-74.9	-178.7	-179.9	177.4	0	111.9	A618 A621 D624 E626 K631 V632	A618-K628 HydrophobicContact CB-CB 4.43Å; A621-K628 HydrophobicContact CB-CD 4.01Å; D624-K628 WeakPolarHBondContact O-CB 3.27Å; D624-K628 WeakPolarHBondContact O-CG 3.28Å; D624-K628 PolarHBondContact O-N 3.41Å; E626-K628 PolarHBondContact O-N 2.72Å; K628-K631 PolarHBondContact O-N 3.5Å; K628-V632 WeakPolarHBondContact O-CG2 3.48Å; K628-V632 PolarHBondContact O-N 3.43Å
629	M	77.4	Confident	76	Confident	47 Å²	47	80.5 Å²	80.5	23%	0.232	39%	0.394	C	S	.	.	H	α-helix	trans	-67.1	-39.7	178.4	-171.8	173.6	68.3	0	0	110.8	R625 E626 V632 F633	R625-M629 WeakPolarHBondContact O-CB 3.15Å; R625-M629 PolarHBondContact O-N 3.02Å; E626-M629 PolarHBondContact O-N 3.05Å; M629-V632 PolarHBondContact O-N 3.46Å; M629-F633 HydrophobicContact CE-CE2 3.95Å; M629-F633 HydrophobicContact CE-CZ 4.27Å; M629-F633 HydrophobicContact CG-CD1 4.32Å; M629-F633 HydrophobicContact CG-CD2 4.02Å; M629-F633 HydrophobicContact CG-CE1 3.77Å; M629-F633 HydrophobicContact CG-CE2 3.41Å; M629-F633 VanDerWaalsContact CG-CE2 3.41Å; M629-F633 HydrophobicContact CG-CG 4.46Å; M629-F633 HydrophobicContact CG-CZ 3.27Å; M629-F633 WeakPolarHBondContact O-CB 3.38Å; M629-F633 WeakPolarHBondContact O-CD1 3.46Å; M629-F633 WeakPolarHBondContact O-CD2 3.36Å; M629-F633 WeakPolarHBondContact O-CG 3.39Å; M629-F633 PolarHBondContact O-N 3.39Å; M629-F633 HydrophobicContact SD-CE1 4.49Å; M629-F633 HydrophobicContact SD-CE2 3.88Å; M629-F633 HydrophobicContact SD-CZ 3.61Å
630	E	79.4	Confident	77.3	Confident	91 Å²	91	77.3 Å²	77.3	43%	0.425	38%	0.381	S	S	.	.	H	α-helix	trans	-59.5	-47.7	173.1	-173.7	-177.3	-165.9	0	0	111.5	E626 E627 V632 F633 D634	E626-E630 WeakPolarHBondContact O-CB 3.45Å; E626-E630 PolarHBondContact O-N 2.89Å; E627-E630 PolarHBondContact O-N 2.8Å; E630-V632 PolarHBondContact O-N 3.46Å; E630-F633 PolarHBondContact O-N 2.89Å; E630-D634 WeakPolarHBondContact O-CB 3.39Å; E630-D634 PolarHBondContact O-N 2.89Å
631	K	83.9	Confident	78.5	Confident	119 Å²	119	74.7 Å²	74.7	52%	0.517	37%	0.369	S	S	.	.	H	α-helix	trans	-58.4	-47.2	176.2	-77.4	175.9	-174.7	156.6	0	112.1	E627 K628 F633 D634 D635	E627-K631 WeakPolarHBondContact O-CG 3.25Å; E627-K631 PolarHBondContact O-N 3.33Å; E627-K631 IonicContact OE1-NZ 2.85Å; E627-K631 PolarHBondContact OE1-NZ 3.46Å; K628-K631 PolarHBondContact O-N 3.5Å; K631-F633 VanDerWaalsContact C-N 3.34Å; K631-F633 PolarHBondContact O-N 3.24Å; K631-D634 PolarHBondContact O-N 3.48Å; K631-D635 PolarHBondContact O-N 2.79Å
632	V	87.2	Confident	79.8	Confident	18 Å²	18	73.9 Å²	73.9	11%	0.109	36%	0.362	C	S	.	.	H	α-helix	trans	-62.7	-42.4	178	170.6	0	0	0	0	111.3	Q614 L615 A618 K628 M629 E630 D634 D635 I636	Q614-V632 HydrophobicContact CB-CG1 4.44Å; Q614-V632 HydrophobicContact CB-CG2 4.38Å; L615-V632 HydrophobicContact CB-CG1 4.31Å; L615-V632 HydrophobicContact CD1-CG1 4.22Å; A618-V632 HydrophobicContact CB-CG2 3.98Å; K628-V632 WeakPolarHBondContact O-CG2 3.48Å; K628-V632 PolarHBondContact O-N 3.43Å; M629-V632 PolarHBondContact O-N 3.46Å; E630-V632 PolarHBondContact O-N 3.46Å; V632-D634 VanDerWaalsContact C-N 3.34Å; V632-D634 PolarHBondContact O-N 3.23Å; V632-D635 PolarHBondContact O-N 3.05Å; V632-I636 HydrophobicContact CG1-CD1 3.75Å; V632-I636 HydrophobicContact CG1-CG1 4.49Å; V632-I636 WeakPolarHBondContact O-CD1 3.13Å; V632-I636 WeakPolarHBondContact O-CG1 3.34Å; V632-I636 PolarHBondContact O-N 3.05Å; V632-I636 VanDerWaalsContact O-N 3.16Å
633	F	84.9	Confident	81.9	Confident	13 Å²	13	66.1 Å²	66.1	6%	0.057	32%	0.322	C	S	.	.	H	α-helix	trans	-62.5	-41.2	176.5	-68.2	-16.4	0	0	0	112.4	L538 L615 M629 E630 K631 I636 E637	L538-F633 HydrophobicContact CB-CE1 4.21Å; L538-F633 HydrophobicContact CB-CZ 4.32Å; L538-F633 HydrophobicContact CD2-CB 4.35Å; L538-F633 HydrophobicContact CD2-CD1 3.29Å; L538-F633 HydrophobicContact CD2-CE1 3.6Å; L538-F633 HydrophobicContact CD2-CG 3.9Å; L538-F633 HydrophobicContact CD2-CZ 4.43Å; L538-F633 HydrophobicContact CG-CD1 3.83Å; L538-F633 HydrophobicContact CG-CE1 3.54Å; L538-F633 HydrophobicContact CG-CZ 4.13Å; L615-F633 HydrophobicContact CD1-CD1 4.19Å; L615-F633 HydrophobicContact CD1-CE1 3.55Å; M629-F633 HydrophobicContact CE-CE2 3.95Å; M629-F633 HydrophobicContact CE-CZ 4.27Å; M629-F633 HydrophobicContact CG-CD1 4.32Å; M629-F633 HydrophobicContact CG-CD2 4.02Å; M629-F633 HydrophobicContact CG-CE1 3.77Å; M629-F633 HydrophobicContact CG-CE2 3.41Å; M629-F633 VanDerWaalsContact CG-CE2 3.41Å; M629-F633 HydrophobicContact CG-CG 4.46Å; M629-F633 HydrophobicContact CG-CZ 3.27Å; M629-F633 WeakPolarHBondContact O-CB 3.38Å; M629-F633 WeakPolarHBondContact O-CD1 3.46Å; M629-F633 WeakPolarHBondContact O-CD2 3.36Å; M629-F633 WeakPolarHBondContact O-CG 3.39Å; M629-F633 PolarHBondContact O-N 3.39Å; M629-F633 HydrophobicContact SD-CE1 4.49Å; M629-F633 HydrophobicContact SD-CE2 3.88Å; M629-F633 HydrophobicContact SD-CZ 3.61Å; E630-F633 PolarHBondContact O-N 2.89Å; K631-F633 VanDerWaalsContact C-N 3.34Å; K631-F633 PolarHBondContact O-N 3.24Å; F633-I636 PolarHBondContact O-N 3.42Å; F633-E637 WeakPolarHBondContact O-CB 3.4Å; F633-E637 VanDerWaalsContact O-CG 3.31Å; F633-E637 WeakPolarHBondContact O-CG 3.32Å; F633-E637 PolarHBondContact O-N 3.48Å; F633-E637 VanDerWaalsContact O-N 3.14Å
634	D	84.8	Confident	83.5	Confident	64 Å²	64	59 Å²	59	34%	0.342	29%	0.288	S	S	.	.	H	α-helix	trans	-67.1	-39.4	-179	-151	29.5	0	0	0	111.6	R546 R572 E630 K631 V632 I636 E637 T638	R546-D634 IonicContact NH2-OD1 2.75Å; R572-D634 IonicContact CZ-OD1 2.68Å; R572-D634 IonicContact NE-OD1 2.62Å; R572-D634 PolarHBondContact NE-OD1 2.85Å; R572-D634 IonicContact NH2-OD1 3.18Å; R572-D634 PolarHBondContact NH2-OD1 3.04Å; R572-D634 IonicContact NH2-OD2 3.44Å; R572-D634 PolarHBondContact NH2-OD2 2.77Å; E630-D634 WeakPolarHBondContact O-CB 3.39Å; E630-D634 PolarHBondContact O-N 2.89Å; K631-D634 PolarHBondContact O-N 3.48Å; V632-D634 VanDerWaalsContact C-N 3.34Å; V632-D634 PolarHBondContact O-N 3.23Å; D634-I636 PolarHBondContact O-N 3.37Å; D634-E637 PolarHBondContact O-N 3.32Å; D634-T638 WeakPolarHBondContact O-CG2 3.26Å
635	D	84.9	Confident	84.6	Confident	102 Å²	102	54 Å²	54	55%	0.545	26%	0.262	S	S	.	.	H	α-helix	trans	-62.4	-41.7	176	-72.3	-8.3	0	0	0	112.1	K631 V632 T638	K631-D635 PolarHBondContact O-N 2.79Å; V632-D635 PolarHBondContact O-N 3.05Å; D635-T638 PolarHBondContact O-OG1 3.46Å
636	I	89.7	Confident	85.8	Confident	5 Å²	5	49.5 Å²	49.5	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-65.3	-43.8	179.9	-65.7	162.3	0	0	0	111.1	L538 L560 K601 I611 V632 F633 D634 T638	L538-I636 HydrophobicContact CD2-CD1 4.46Å; L560-I636 HydrophobicContact CD1-CG2 4.3Å; L560-I636 HydrophobicContact CD2-CG2 4Å; K601-I636 PolarHBondContact NZ-O 3.22Å; K601-I636 VanDerWaalsContact NZ-O 3.1Å; I611-I636 HydrophobicContact CB-CG1 4.47Å; I611-I636 HydrophobicContact CD1-CG1 4.29Å; I611-I636 HydrophobicContact CG1-CG1 4.12Å; I611-I636 HydrophobicContact CG2-CD1 3.46Å; I611-I636 VanDerWaalsContact CG2-CD1 3.46Å; I611-I636 HydrophobicContact CG2-CG1 3.6Å; V632-I636 HydrophobicContact CG1-CD1 3.75Å; V632-I636 HydrophobicContact CG1-CG1 4.49Å; V632-I636 WeakPolarHBondContact O-CD1 3.13Å; V632-I636 WeakPolarHBondContact O-CG1 3.34Å; V632-I636 PolarHBondContact O-N 3.05Å; V632-I636 VanDerWaalsContact O-N 3.16Å; F633-I636 PolarHBondContact O-N 3.42Å; D634-I636 PolarHBondContact O-N 3.37Å; I636-T638 PolarHBondContact O-N 3.24Å
637	E	90.4	Very high	86.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	18.4	-172.3	-66.9	177.3	176.1	0	0	114	R544 R546 S548 R572 F633 D634 M640	R544-E637 IonicContact CZ-OE1 3.82Å; R544-E637 IonicContact NH1-OE1 2.73Å; R544-E637 PolarHBondContact NH1-OE1 3.42Å; R544-E637 IonicContact NH1-OE2 3.66Å; R544-E637 IonicContact NH2-OE1 3.5Å; R546-E637 IonicContact CZ-OE2 3.01Å; R546-E637 IonicContact NE-OE2 2.78Å; R546-E637 PolarHBondContact NE-OE2 3.39Å; R546-E637 IonicContact NH2-OE2 2.76Å; R546-E637 PolarHBondContact NH2-OE2 3.38Å; S548-E637 WeakPolarHBondContact CB-OE1 3.35Å; S548-E637 PolarHBondContact OG-OE1 3.25Å; R572-E637 WeakPolarHBondContact CB-O 3.32Å; R572-E637 WeakPolarHBondContact CD-O 3.34Å; F633-E637 WeakPolarHBondContact O-CB 3.4Å; F633-E637 VanDerWaalsContact O-CG 3.31Å; F633-E637 WeakPolarHBondContact O-CG 3.32Å; F633-E637 PolarHBondContact O-N 3.48Å; F633-E637 VanDerWaalsContact O-N 3.14Å; D634-E637 PolarHBondContact O-N 3.32Å; E637-M640 HydrophobicContact CB-CE 4.42Å; E637-M640 HydrophobicContact CB-SD 4.45Å; E637-M640 WeakPolarHBondContact O-CE 3.46Å
638	T	87.9	Confident	87.4	Confident	57 Å²	57	37.9 Å²	37.9	35%	0.35	19%	0.191	S	C	.	.	S	Bend	trans	-82.5	145.6	175.7	53.6	0	0	0	0	112.6	K601 D634 D635 I636	K601-T638 WeakPolarHBondContact CD-O 3.34Å; K601-T638 WeakPolarHBondContact CE-O 3.35Å; K601-T638 PolarHBondContact NZ-O 3.37Å; D634-T638 WeakPolarHBondContact O-CG2 3.26Å; D635-T638 PolarHBondContact O-OG1 3.46Å; I636-T638 PolarHBondContact O-N 3.24Å
639	N	89.2	Confident	87.8	Confident	109 Å²	109	36 Å²	36	58%	0.583	18%	0.184	S	C	*	.	S	Bend	trans	56.2	51.3	171.4	-56.1	-32.2	0	0	0	115.2	R572	R572-N639 CarbonylContact O-C 3.6Å; R572-N639 WeakPolarHBondContact O-CA 3.44Å; R572-N639 PolarHBondContact O-N 3.1Å
640	M	93.3	Very high	87.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-82	157.7	175.5	-58.3	178.6	-71.5	0	0	112	C562 V569 R572 V573 Q574 A599 K601 E637	C562-M640 HydrophobicContact CB-CE 4.31Å; C562-M640 HydrophobicContact CB-SD 3.48Å; C562-M640 WeakPolarHBondContact CB-SD 3.3Å; V569-M640 HydrophobicContact CG1-CE 4.48Å; R572-M640 HydrophobicContact CB-CE 3.7Å; R572-M640 PolarHBondContact O-N 3.02Å; V573-M640 VanDerWaalsContact CA-O 3.31Å; V573-M640 WeakPolarHBondContact CA-O 3.46Å; V573-M640 HydrophobicContact CG2-CB 4.44Å; Q574-M640 PolarHBondContact N-O 3.13Å; A599-M640 HydrophobicContact CB-CB 3.95Å; A599-M640 HydrophobicContact CB-SD 4.43Å; K601-M640 HydrophobicContact CB-CG 4.18Å; K601-M640 HydrophobicContact CD-CG 4.49Å; E637-M640 HydrophobicContact CB-CE 4.42Å; E637-M640 HydrophobicContact CB-SD 4.45Å; E637-M640 WeakPolarHBondContact O-CE 3.46Å
641	N	92.6	Very high	87.9	Confident	59 Å²	59	33.7 Å²	33.7	32%	0.316	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	129.6	172.9	-61.4	-33.7	0	0	0	109.5	A599 F600	A599-N641 CarbonylContact C-O 3.56Å; A599-N641 WeakPolarHBondContact CA-O 3.49Å; A599-N641 VanDerWaalsContact CB-O 3.31Å; A599-N641 WeakPolarHBondContact CB-O 3.35Å; F600-N641 HydrophobicContact CD1-CB 4.08Å; F600-N641 HydrophobicContact CE1-CB 3.74Å; F600-N641 HydrophobicContact CZ-CB 4.36Å; F600-N641 PolarHBondContact N-O 3.48Å; F600-N641 PolarHBondContact O-N 3.42Å
642	L	93.2	Very high	88	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	125.6	-177.8	179.3	69.4	0	0	0	109.7	R458 F570 V573 E577 T581 C597	R458-L642 PolarHBondContact NH2-O 3.3Å; F570-L642 HydrophobicContact CE1-CD2 4.18Å; V573-L642 HydrophobicContact CG1-CB 3.49Å; V573-L642 VanDerWaalsContact CG1-CB 3.49Å; V573-L642 HydrophobicContact CG1-CD2 4.44Å; V573-L642 HydrophobicContact CG1-CG 4.5Å; V573-L642 HydrophobicContact CG2-CB 4.26Å; E577-L642 HydrophobicContact CB-CB 4.21Å; E577-L642 PolarHBondContact OE2-N 3.27Å; T581-L642 HydrophobicContact CG2-CD2 4.16Å; C597-L642 HydrophobicContact CB-CD1 4.19Å
643	I	91.8	Very high	87.9	Confident	1 Å²	1	30 Å²	30	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-44.4	176.3	-46.7	176.1	0	0	0	109.5	I426 D427 L461 F462 A465 V598 F600	I426-I643 HydrophobicContact CG2-CG2 4.42Å; D427-I643 PolarHBondContact N-O 3.13Å; L461-I643 HydrophobicContact CD2-CD1 4.07Å; L461-I643 HydrophobicContact CG-CD1 4.12Å; F462-I643 HydrophobicContact CB-CG2 3.69Å; F462-I643 HydrophobicContact CD2-CB 4.09Å; F462-I643 HydrophobicContact CD2-CG2 3.74Å; F462-I643 HydrophobicContact CG-CG2 4.21Å; A465-I643 HydrophobicContact CB-CD1 4.19Å; V598-I643 HydrophobicContact CG1-CD1 4.47Å; V598-I643 PolarHBondContact O-N 2.91Å; F600-I643 HydrophobicContact CB-CD1 4.03Å; F600-I643 HydrophobicContact CD1-CD1 3.64Å; F600-I643 HydrophobicContact CD1-CG1 3.45Å; F600-I643 VanDerWaalsContact CD1-CG1 3.45Å; F600-I643 HydrophobicContact CE1-CD1 4.49Å; F600-I643 HydrophobicContact CE1-CG1 4.08Å; F600-I643 HydrophobicContact CG-CD1 4.11Å; F600-I643 HydrophobicContact CG-CG1 4.38Å
644	G	92.1	Very high	88	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.1	-166.1	-176.1	0	0	0	0	0	113.5	C425 V598	C425-G644 CarbonylContact O-C 3.52Å; C425-G644 WeakPolarHBondContact O-CA 3.39Å; V598-G644 PolarHBondContact N-O 3.16Å; V598-G644 PolarHBondContact O-N 3.05Å
645	A	92.1	Very high	88.2	Confident	4 Å²	4	35.9 Å²	35.9	3%	0.033	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	146.5	175.9	0	0	0	0	0	111.3	C424 C425 T581 V585 L596	C424-A645 CarbonylContact C-O 3.32Å; C424-A645 WeakPolarHBondContact CA-O 3.45Å; C425-A645 PolarHBondContact N-O 3.46Å; C425-A645 PolarHBondContact O-N 3.49Å; T581-A645 HydrophobicContact CG2-CB 3.82Å; V585-A645 HydrophobicContact CG2-CB 3.46Å; V585-A645 VanDerWaalsContact CG2-CB 3.46Å; L596-A645 CarbonylContact O-C 3.53Å; L596-A645 VanDerWaalsContact O-CA 3.23Å; L596-A645 WeakPolarHBondContact O-CA 3.33Å
646	T	91.6	Very high	88.4	Confident	1 Å²	1	31 Å²	31	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	150.1	174.3	61.2	0	0	0	0	110.5	F421 C424 F462 L466 L501 T595 L596 V598	F421-T646 HydrophobicContact CE2-CG2 3.71Å; F421-T646 HydrophobicContact CZ-CG2 4.41Å; C424-T646 HydrophobicContact CB-CG2 4.43Å; F462-T646 HydrophobicContact CE1-CG2 4.18Å; F462-T646 HydrophobicContact CE2-CG2 4.41Å; F462-T646 HydrophobicContact CZ-CG2 3.52Å; L466-T646 HydrophobicContact CD1-CG2 4.26Å; L466-T646 HydrophobicContact CD2-CG2 3.83Å; L501-T646 HydrophobicContact CD2-CG2 3.86Å; T595-T646 VanDerWaalsContact CA-O 3.31Å; T595-T646 WeakPolarHBondContact CA-O 3.46Å; L596-T646 WeakPolarHBondContact CB-OG1 3.48Å; L596-T646 PolarHBondContact N-O 2.9Å; L596-T646 PolarHBondContact O-N 2.8Å; L596-T646 PolarHBondContact O-OG1 3.3Å; V598-T646 HydrophobicContact CG2-CG2 4.37Å
647	A	88.3	Confident	88.4	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	121.2	171.6	0	0	0	0	0	110.1	I422 E423 N588 Y593 R594	I422-A647 PolarHBondContact N-O 3.11Å; E423-A647 HydrophobicContact CG-CB 3.73Å; E423-A647 PolarHBondContact O-N 3.41Å; N588-A647 HydrophobicContact CB-CB 4.14Å; Y593-A647 HydrophobicContact CD2-CB 4.03Å; Y593-A647 HydrophobicContact CG-CB 4.17Å; R594-A647 WeakPolarHBondContact O-CA 3.25Å
648	V	85.8	Confident	88.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.5	179.2	179.4	0	0	0	0	108.5	M419 E420 A500 L501 Y593 R594	M419-V648 HydrophobicContact CB-CG1 3.72Å; M419-V648 HydrophobicContact CG-CG1 4.39Å; M419-V648 HydrophobicContact SD-CG1 4.27Å; E420-V648 CarbonylContact O-C 3.42Å; E420-V648 WeakPolarHBondContact O-CA 3.36Å; A500-V648 HydrophobicContact CB-CG1 4.07Å; L501-V648 HydrophobicContact CD2-CG2 3.93Å; Y593-V648 CarbonylContact C-O 3.54Å; Y593-V648 WeakPolarHBondContact CA-O 3.46Å; R594-V648 HydrophobicContact CB-CB 4.38Å; R594-V648 WeakPolarHBondContact CB-O 3.3Å; R594-V648 PolarHBondContact N-O 2.56Å; R594-V648 PolarHBondContact O-N 3.39Å
649	E	82.8	Confident	88.7	Confident	65 Å²	65	32.9 Å²	32.9	30%	0.304	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	135.2	176.9	-174	170.9	-161.4	0	0	110.5	M419 E420 I422 Y593	M419-E649 WeakPolarHBondContact CA-O 3.42Å; E420-E649 PolarHBondContact N-O 3.43Å; E420-E649 PolarHBondContact O-N 2.85Å; I422-E649 HydrophobicContact CD1-CB 4.12Å; I422-E649 HydrophobicContact CG1-CB 3.53Å; Y593-E649 HydrophobicContact CD1-CB 3.68Å; Y593-E649 HydrophobicContact CD1-CG 3.95Å; Y593-E649 HydrophobicContact CE1-CB 3.88Å; Y593-E649 HydrophobicContact CE1-CG 3.9Å
650	D	78.2	Confident	88.8	Confident	15 Å²	15	27.8 Å²	27.8	8%	0.08	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	103.9	167.9	-173.3	6.2	0	0	0	107.3	K410 T415 M419 L652	K410-D650 IonicContact NZ-OD2 3.4Å; K410-D650 PolarHBondContact NZ-OD2 3.49Å; T415-D650 WeakPolarHBondContact CB-OD1 3.46Å; T415-D650 HydrophobicContact CG2-CB 4.37Å; T415-D650 PolarHBondContact OG1-OD2 3.18Å; M419-D650 HydrophobicContact CE-CB 3.85Å; M419-D650 VanDerWaalsContact CE-CG 3.46Å; M419-D650 HydrophobicContact SD-CB 3.7Å; D650-L652 PolarHBondContact O-N 2.92Å
651	K	81.8	Confident	88.7	Confident	73 Å²	73	32.4 Å²	32.4	32%	0.317	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	132.1	-172.4	-78.2	-174.9	165.1	176.1	0	111.5	T415 E416 S418 E420	T415-K651 CarbonylContact C-O 3.49Å; T415-K651 WeakPolarHBondContact CA-O 3.08Å; T415-K651 WeakPolarHBondContact CB-O 3.26Å; E416-K651 PolarHBondContact N-O 3.34Å; S418-K651 PolarHBondContact O-N 3.12Å; E420-K651 HydrophobicContact CG-CD 4.45Å; E420-K651 VanDerWaalsContact OE1-CE 3.3Å; E420-K651 WeakPolarHBondContact OE1-CE 3.13Å; E420-K651 IonicContact OE1-NZ 2.75Å; E420-K651 PolarHBondContact OE1-NZ 2.84Å; E420-K651 WeakPolarHBondContact OE2-CE 3.25Å; E420-K651 IonicContact OE2-NZ 3.1Å; E420-K651 PolarHBondContact OE2-NZ 2.93Å
652	L	85.4	Confident	88.6	Confident	52 Å²	52	29.9 Å²	29.9	27%	0.272	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	149.9	167	-69.3	-177.2	0	0	0	110.3	L414 T415 D650 T684 A687 C688	L414-L652 WeakPolarHBondContact O-CA 3.47Å; T415-L652 HydrophobicContact CG2-CD2 4.05Å; D650-L652 PolarHBondContact O-N 2.92Å; L652-T684 HydrophobicContact CD2-CG2 3.77Å; L652-A687 HydrophobicContact CD1-CB 3.7Å; L652-C688 VanDerWaalsContact CD2-SG 3.59Å
653	Q	85.2	Confident	88.6	Confident	7 Å²	7	29.8 Å²	29.8	3%	0.033	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-65.5	153.7	169.4	-60.1	-133.7	-60.8	0	0	112	T413 L414 E416 Q655 A656 K833	T413-Q653 WeakPolarHBondContact O-CG 3.13Å; T413-Q653 PolarHBondContact O-OE1 2.76Å; L414-Q653 PolarHBondContact O-N 3.07Å; E416-Q653 HydrophobicContact CG-CB 4.15Å; E416-Q653 HydrophobicContact CG-CG 3.66Å; E416-Q653 WeakPolarHBondContact OE1-CA 3.48Å; Q653-Q655 PolarHBondContact O-N 3.35Å; Q653-A656 HydrophobicContact CB-CB 4.26Å; Q653-A656 WeakPolarHBondContact O-CB 3.33Å; Q653-A656 PolarHBondContact O-N 2.82Å; Q653-A656 VanDerWaalsContact O-N 3.12Å; Q653-K833 VanDerWaalsContact CD-CE 3.47Å; Q653-K833 VanDerWaalsContact NE2-CE 3.3Å
654	D	86.1	Confident	88.3	Confident	90 Å²	90	31.2 Å²	31.2	48%	0.481	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-40.2	123.9	163.6	-78.6	-11.1	0	0	0	112.2	A656 K850	D654-A656 PolarHBondContact O-N 3.01Å; D654-K850 HydrophobicContact CB-CD 3.99Å; D654-K850 IonicContact OD2-NZ 2.96Å; D654-K850 PolarHBondContact OD2-NZ 2.77Å; D654-K850 VanDerWaalsContact OD2-NZ 3.07Å
655	Q	88.9	Confident	88.1	Confident	111 Å²	111	33.4 Å²	33.4	52%	0.519	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	21.5	173.5	-58	179.2	-43.5	0	0	114.9	Q653 A657 E658 T659 K850	Q653-Q655 PolarHBondContact O-N 3.35Å; Q655-A657 PolarHBondContact O-N 3.12Å; Q655-E658 HydrophobicContact CB-CB 4.28Å; Q655-E658 PolarHBondContact NE2-OE2 3.04Å; Q655-E658 PolarHBondContact O-N 2.91Å; Q655-T659 WeakPolarHBondContact O-CB 3.35Å; Q655-T659 PolarHBondContact O-N 3.3Å; Q655-T659 PolarHBondContact O-OG1 3.39Å; Q655-K850 HydrophobicContact CB-CB 4.11Å
656	A	89.9	Confident	87.9	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-59.6	-45.8	176.5	0	0	0	0	0	111.8	Q653 D654 T659 I660 F849	Q653-A656 HydrophobicContact CB-CB 4.26Å; Q653-A656 WeakPolarHBondContact O-CB 3.33Å; Q653-A656 PolarHBondContact O-N 2.82Å; Q653-A656 VanDerWaalsContact O-N 3.12Å; D654-A656 PolarHBondContact O-N 3.01Å; A656-T659 PolarHBondContact O-N 2.96Å; A656-I660 PolarHBondContact O-N 3.42Å; A656-F849 HydrophobicContact CB-CD1 4.3Å
657	A	89.1	Confident	87.6	Confident	19 Å²	19	34.3 Å²	34.3	16%	0.157	18%	0.183	C	C	.	.	H	α-helix	trans	-63.2	-45.3	177.2	0	0	0	0	0	112.4	Q655 T659 I660 E661 R689	Q655-A657 PolarHBondContact O-N 3.12Å; A657-T659 VanDerWaalsContact C-N 3.27Å; A657-T659 PolarHBondContact O-N 3.5Å; A657-I660 PolarHBondContact O-N 3.48Å; A657-E661 WeakPolarHBondContact O-CB 3.43Å; A657-E661 PolarHBondContact O-N 3.49Å; A657-R689 HydrophobicContact CB-CG 4.4Å
658	E	91.8	Very high	87.7	Confident	80 Å²	80	34.4 Å²	34.4	37%	0.374	18%	0.183	S	C	.	.	H	α-helix	trans	-61.4	-38	177.1	-168.3	-162.6	146.5	0	0	111.5	Q655 A662 K853	Q655-E658 HydrophobicContact CB-CB 4.28Å; Q655-E658 PolarHBondContact NE2-OE2 3.04Å; Q655-E658 PolarHBondContact O-N 2.91Å; E658-A662 WeakPolarHBondContact O-CB 3.43Å; E658-A662 PolarHBondContact O-N 3.38Å; E658-K853 IonicContact OE1-NZ 2.76Å; E658-K853 PolarHBondContact OE1-NZ 3.5Å
659	T	93.9	Very high	87.9	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.012	19%	0.191	C	C	.	.	H	α-helix	trans	-65.5	-47.5	178.2	-61.2	0	0	0	0	111.2	Q655 A656 A657 E661 A662 L663 F849 L852 K853	Q655-T659 WeakPolarHBondContact O-CB 3.35Å; Q655-T659 PolarHBondContact O-N 3.3Å; Q655-T659 PolarHBondContact O-OG1 3.39Å; A656-T659 PolarHBondContact O-N 2.96Å; A657-T659 VanDerWaalsContact C-N 3.27Å; A657-T659 PolarHBondContact O-N 3.5Å; T659-E661 VanDerWaalsContact C-N 3.34Å; T659-E661 PolarHBondContact O-N 3.37Å; T659-A662 PolarHBondContact O-N 2.95Å; T659-L663 HydrophobicContact CG2-CD1 4.13Å; T659-L663 VanDerWaalsContact O-CG 3.23Å; T659-L663 WeakPolarHBondContact O-CG 3.33Å; T659-L663 PolarHBondContact O-N 2.87Å; T659-F849 HydrophobicContact CG2-CD1 3.95Å; T659-F849 HydrophobicContact CG2-CE1 3.55Å; T659-F849 HydrophobicContact CG2-CZ 4.33Å; T659-L852 HydrophobicContact CG2-CB 4.4Å; T659-K853 HydrophobicContact CG2-CB 4.07Å
660	I	91.5	Very high	88.4	Confident	1 Å²	1	33 Å²	33	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-62.5	-42.8	177.5	-72.1	169.2	0	0	0	111.1	L414 A656 A657 A662 L663 H664 C688 L690 F849	L414-I660 HydrophobicContact CD1-CD1 4.44Å; L414-I660 HydrophobicContact CD2-CD1 3.78Å; A656-I660 PolarHBondContact O-N 3.42Å; A657-I660 PolarHBondContact O-N 3.48Å; I660-A662 VanDerWaalsContact C-N 3.33Å; I660-A662 PolarHBondContact O-N 2.99Å; I660-L663 PolarHBondContact O-N 3Å; I660-H664 PolarHBondContact O-N 2.77Å; I660-C688 HydrophobicContact CD1-CB 3.65Å; I660-L690 HydrophobicContact CG2-CB 4.27Å; I660-L690 HydrophobicContact CG2-CD1 3.79Å; I660-F849 HydrophobicContact CG1-CE1 4.1Å; I660-F849 HydrophobicContact CG1-CZ 4.21Å
661	E	89.9	Confident	89.1	Confident	97 Å²	97	32.4 Å²	32.4	45%	0.453	17%	0.173	S	C	.	.	H	α-helix	trans	-60.3	-43.1	176.5	-170.5	174.4	171.7	0	0	111.5	A657 T659 L663 H664 A665 R689	A657-E661 WeakPolarHBondContact O-CB 3.43Å; A657-E661 PolarHBondContact O-N 3.49Å; T659-E661 VanDerWaalsContact C-N 3.34Å; T659-E661 PolarHBondContact O-N 3.37Å; E661-L663 PolarHBondContact O-N 2.69Å; E661-H664 PolarHBondContact O-N 2.59Å; E661-A665 WeakPolarHBondContact O-CB 3.5Å; E661-A665 PolarHBondContact O-N 2.95Å; E661-R689 IonicContact OE2-NH1 3.13Å; E661-R689 PolarHBondContact OE2-NH1 3.24Å
662	A	91.6	Very high	89.7	Confident	7 Å²	7	29 Å²	29	6%	0.058	16%	0.158	C	C	.	.	H	α-helix	trans	-64	-39.3	175.1	0	0	0	0	0	112.7	E658 T659 I660 A665 A666 K853 L857 P936	E658-A662 WeakPolarHBondContact O-CB 3.43Å; E658-A662 PolarHBondContact O-N 3.38Å; T659-A662 PolarHBondContact O-N 2.95Å; I660-A662 VanDerWaalsContact C-N 3.33Å; I660-A662 PolarHBondContact O-N 2.99Å; A662-A665 PolarHBondContact O-N 3.08Å; A662-A666 WeakPolarHBondContact O-CB 3.34Å; A662-A666 PolarHBondContact O-N 3.2Å; A662-K853 HydrophobicContact CB-CD 4.07Å; A662-K853 HydrophobicContact CB-CG 4.19Å; A662-L857 HydrophobicContact CB-CD1 4.31Å; A662-P936 HydrophobicContact CB-CG 3.86Å; A662-P936 VanDerWaalsContact O-CB 3.25Å; A662-P936 WeakPolarHBondContact O-CB 3.43Å
663	L	91.8	Very high	90	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66.1	-42.2	176.6	-65.5	168.5	0	0	0	111.4	T659 I660 E661 A666 G667 L668 V670 L852 L856	T659-L663 HydrophobicContact CG2-CD1 4.13Å; T659-L663 VanDerWaalsContact O-CG 3.23Å; T659-L663 WeakPolarHBondContact O-CG 3.33Å; T659-L663 PolarHBondContact O-N 2.87Å; I660-L663 PolarHBondContact O-N 3Å; E661-L663 PolarHBondContact O-N 2.69Å; L663-A666 WeakPolarHBondContact O-CB 3.2Å; L663-A666 PolarHBondContact O-N 3.33Å; L663-G667 PolarHBondContact O-N 3.42Å; L663-L668 HydrophobicContact CB-CB 4.4Å; L663-L668 HydrophobicContact CB-CD1 4.14Å; L663-L668 HydrophobicContact CD2-CD1 3.41Å; L663-L668 VanDerWaalsContact CD2-CD1 3.41Å; L663-L668 HydrophobicContact CG-CD1 4.35Å; L663-L668 WeakPolarHBondContact O-CB 3.34Å; L663-L668 PolarHBondContact O-N 2.76Å; L663-V670 HydrophobicContact CB-CG2 3.94Å; L663-V670 HydrophobicContact CD1-CG2 4.19Å; L663-L852 HydrophobicContact CD1-CD2 4.19Å; L663-L856 HydrophobicContact CD2-CD1 3.98Å
664	H	87.5	Confident	90	Very high	31 Å²	31	26.2 Å²	26.2	14%	0.144	14%	0.144	C	C	.	.	H	α-helix	trans	-61.2	-45.4	172.6	-82.8	-165.1	0	0	0	111.6	I660 E661 A666 G667 L690	I660-H664 PolarHBondContact O-N 2.77Å; E661-H664 PolarHBondContact O-N 2.59Å; H664-A666 PolarHBondContact O-N 2.96Å; H664-G667 WeakPolarHBondContact O-CA 3.31Å; H664-G667 PolarHBondContact O-N 3.39Å; H664-L690 WeakPolarHBondContact NE2-CD1 3.27Å
665	A	87	Confident	89.6	Confident	45 Å²	45	24 Å²	24	37%	0.372	14%	0.143	S	C	.	.	H	α-helix	trans	-63.1	-27.2	176.6	0	0	0	0	0	113.3	E661 A662 G667 P936	E661-A665 WeakPolarHBondContact O-CB 3.5Å; E661-A665 PolarHBondContact O-N 2.95Å; A662-A665 PolarHBondContact O-N 3.08Å; A665-G667 PolarHBondContact O-N 3.47Å; A665-P936 HydrophobicContact CB-CB 4.22Å
666	A	88.1	Confident	88.6	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-11.2	172.1	0	0	0	0	0	113.6	A662 L663 H664 L668 L857 P936 Y939	A662-A666 WeakPolarHBondContact O-CB 3.34Å; A662-A666 PolarHBondContact O-N 3.2Å; L663-A666 WeakPolarHBondContact O-CB 3.2Å; L663-A666 PolarHBondContact O-N 3.33Å; H664-A666 PolarHBondContact O-N 2.96Å; A666-L668 HydrophobicContact CB-CD1 4.49Å; A666-L668 HydrophobicContact CB-CG 4.36Å; A666-L857 HydrophobicContact CB-CD2 3.63Å; A666-P936 WeakPolarHBondContact CA-O 3.48Å; A666-P936 HydrophobicContact CB-CB 4.07Å; A666-Y939 HydrophobicContact CB-CD1 4.09Å; A666-Y939 HydrophobicContact CB-CG 4.21Å
667	G	85.6	Confident	87.6	Confident	24 Å²	24	23.9 Å²	23.9	25%	0.247	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	19.2	-177.8	0	0	0	0	0	114.1	L663 H664 A665	L663-G667 PolarHBondContact O-N 3.42Å; H664-G667 WeakPolarHBondContact O-CA 3.31Å; H664-G667 PolarHBondContact O-N 3.39Å; A665-G667 PolarHBondContact O-N 3.47Å
668	L	89.6	Confident	87.1	Confident	3 Å²	3	24 Å²	24	2%	0.016	14%	0.139	C	C	.	.			trans	-84.6	144	174.7	-59.9	173.6	0	0	0	110.4	V403 V406 L663 A666 L856 Y939	V403-L668 HydrophobicContact CB-CD2 4.45Å; V403-L668 HydrophobicContact CG1-CD2 4.34Å; V403-L668 WeakPolarHBondContact O-CD2 3.33Å; V406-L668 HydrophobicContact CG2-CD1 4.34Å; L663-L668 HydrophobicContact CB-CB 4.4Å; L663-L668 HydrophobicContact CB-CD1 4.14Å; L663-L668 HydrophobicContact CD2-CD1 3.41Å; L663-L668 VanDerWaalsContact CD2-CD1 3.41Å; L663-L668 HydrophobicContact CG-CD1 4.35Å; L663-L668 WeakPolarHBondContact O-CB 3.34Å; L663-L668 PolarHBondContact O-N 2.76Å; A666-L668 HydrophobicContact CB-CD1 4.49Å; A666-L668 HydrophobicContact CB-CG 4.36Å; L668-L856 HydrophobicContact CD1-CD1 4.47Å; L668-Y939 HydrophobicContact CD2-CD1 4.46Å; L668-Y939 HydrophobicContact CD2-CE1 3.69Å; L668-Y939 HydrophobicContact CG-CE1 4.27Å
669	K	89.8	Confident	86.2	Confident	35 Å²	35	23.4 Å²	23.4	15%	0.152	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	113.7	173.6	-67	180	-176.8	-177.7	0	109.8	D404 Y405 V406 W741 M780	D404-K669 PolarHBondContact O-N 2.7Å; Y405-K669 WeakPolarHBondContact CA-O 3.47Å; Y405-K669 HydrophobicContact CD1-CB 3.73Å; Y405-K669 HydrophobicContact CD1-CD 4.22Å; Y405-K669 HydrophobicContact CE1-CB 3.83Å; Y405-K669 HydrophobicContact CE1-CD 3.46Å; Y405-K669 VanDerWaalsContact CE1-CD 3.46Å; Y405-K669 HydrophobicContact CE1-CG 4.29Å; Y405-K669 HydrophobicContact CE2-CD 4.44Å; Y405-K669 HydrophobicContact CG-CB 4.38Å; Y405-K669 PolarHBondContact OH-NZ 3.22Å; V406-K669 PolarHBondContact N-O 3.18Å; K669-W741 HydrophobicContact CG-CH2 4.47Å; K669-M780 PolarHBondContact NZ-O 3.45Å
670	V	92.9	Very high	85.3	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121.8	-179.4	-175.7	0	0	0	0	109	V406 T408 L663 L690	V406-V670 HydrophobicContact CB-CG2 4.4Å; V406-V670 WeakPolarHBondContact O-CA 3.45Å; T408-V670 HydrophobicContact CG2-CG1 4.14Å; L663-V670 HydrophobicContact CB-CG2 3.94Å; L663-V670 HydrophobicContact CD1-CG2 4.19Å; V670-L690 HydrophobicContact CB-CD1 3.83Å; V670-L690 HydrophobicContact CG1-CD1 4.04Å
671	W	94.6	Very high	84.8	Confident	3 Å²	3	24.3 Å²	24.3	1%	0.011	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.4	179.2	-71.3	21.8	0	0	0	108.9	Y405 V406 F407 T408 C779 V785 I798 V802	Y405-W671 AromaticContact CD1-CE2 3.92Å; Y405-W671 HydrophobicContact CD1-CZ2 4.12Å; Y405-W671 AromaticContact CD1-NE1 3.89Å; Y405-W671 AromaticContact CE1-CE2 3.85Å; Y405-W671 AromaticContact CE1-CZ2 3.69Å; Y405-W671 HydrophobicContact CE1-CZ2 3.69Å; Y405-W671 AromaticContact CE1-NE1 3.87Å; V406-W671 PolarHBondContact O-N 3.37Å; F407-W671 WeakPolarHBondContact CA-O 3.22Å; F407-W671 HydrophobicContact CD1-CB 3.76Å; F407-W671 HydrophobicContact CD1-CD2 4.46Å; F407-W671 HydrophobicContact CD1-CE3 4.24Å; F407-W671 HydrophobicContact CD1-CG 4.35Å; F407-W671 HydrophobicContact CE1-CB 4.07Å; F407-W671 AromaticContact CE1-CD2 3.88Å; F407-W671 HydrophobicContact CE1-CD2 3.88Å; F407-W671 AromaticContact CE1-CE3 3.52Å; F407-W671 HydrophobicContact CE1-CE3 3.52Å; F407-W671 HydrophobicContact CE1-CG 4.17Å; F407-W671 HydrophobicContact CE1-CZ3 4.14Å; T408-W671 PolarHBondContact N-O 3.21Å; W671-C779 HydrophobicContact CH2-CB 3.42Å; W671-C779 VanDerWaalsContact CH2-CB 3.42Å; W671-C779 HydrophobicContact CZ2-CB 3.67Å; W671-C779 HydrophobicContact CZ3-CB 4.38Å; W671-V785 CarbonylContact C-O 3.52Å; W671-V785 VanDerWaalsContact CA-O 3.3Å; W671-V785 WeakPolarHBondContact CA-O 3.19Å; W671-V785 HydrophobicContact CB-CB 4.49Å; W671-V785 HydrophobicContact CD2-CB 3.66Å; W671-V785 HydrophobicContact CD2-CG1 4.33Å; W671-V785 HydrophobicContact CD2-CG2 3.88Å; W671-V785 HydrophobicContact CE3-CB 4.05Å; W671-V785 HydrophobicContact CE3-CG1 4.22Å; W671-V785 HydrophobicContact CE3-CG2 4.41Å; W671-V785 HydrophobicContact CG-CB 3.82Å; W671-V785 HydrophobicContact CG-CG2 4.29Å; W671-V785 HydrophobicContact CH2-CG2 4.44Å; W671-V785 HydrophobicContact CZ2-CB 4.49Å; W671-V785 HydrophobicContact CZ2-CG2 3.83Å; W671-I798 HydrophobicContact CE3-CG2 4.1Å; W671-I798 HydrophobicContact CZ3-CG2 3.95Å; W671-V802 HydrophobicContact CH2-CG2 3.6Å; W671-V802 HydrophobicContact CZ3-CG2 3.65Å
672	V	94	Very high	84.5	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.3	179.8	-178	0	0	0	0	108.6	T408 K410 L414 L690 V785 L786 C787	T408-V672 HydrophobicContact CG2-CB 4.37Å; T408-V672 HydrophobicContact CG2-CG2 3.75Å; T408-V672 CarbonylContact O-C 3.52Å; T408-V672 WeakPolarHBondContact O-CA 3.29Å; K410-V672 HydrophobicContact CB-CG1 4.11Å; L414-V672 HydrophobicContact CD1-CG2 4.28Å; V672-L690 HydrophobicContact CG2-CD2 3.57Å; V672-V785 PolarHBondContact N-O 3.42Å; V672-L786 HydrophobicContact CB-CD1 3.82Å; V672-L786 HydrophobicContact CG1-CD1 3.84Å; V672-L786 WeakPolarHBondContact O-CA 3.2Å; V672-C787 PolarHBondContact O-N 3.24Å
673	L	91.7	Very high	83.9	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	96.3	-178.8	-54.1	-175.3	0	0	0	109.6	F407 T408 C787 K795 I798 M823	F407-L673 HydrophobicContact CB-CD1 4.15Å; F407-L673 HydrophobicContact CD1-CD1 3.87Å; F407-L673 HydrophobicContact CD1-CG 4.3Å; F407-L673 HydrophobicContact CG-CD1 4.21Å; T408-L673 PolarHBondContact O-N 3.2Å; L673-C787 HydrophobicContact CD2-CB 3.52Å; L673-C787 WeakPolarHBondContact CD2-SG 3.09Å; L673-K795 HydrophobicContact CB-CD 4.29Å; L673-K795 HydrophobicContact CB-CG 4.25Å; L673-K795 HydrophobicContact CD1-CB 4.38Å; L673-K795 WeakPolarHBondContact O-CE 3.4Å; L673-K795 PolarHBondContact O-NZ 2.88Å; L673-I798 HydrophobicContact CD1-CB 4.32Å; L673-I798 HydrophobicContact CD1-CG2 4.08Å; L673-I798 HydrophobicContact CD2-CG2 4.19Å; L673-M823 HydrophobicContact CD1-SD 3.8Å
674	T	85.6	Confident	83.4	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.006	14%	0.137	C	C	.	.			trans	-120.3	152.6	-172.4	-174.2	0	0	0	0	113.6	K410 D676 A681 L786 C787 C788 R789 M790	K410-T674 HydrophobicContact CB-CG2 4.33Å; T674-D676 VanDerWaalsContact C-N 3.32Å; T674-D676 HydrophobicContact CG2-CB 4.22Å; T674-D676 WeakPolarHBondContact OG1-CB 3.13Å; T674-D676 PolarHBondContact OG1-N 3.18Å; T674-D676 VanDerWaalsContact OG1-N 3.08Å; T674-A681 HydrophobicContact CG2-CB 3.68Å; T674-L786 HydrophobicContact CG2-CD1 4.22Å; T674-C787 PolarHBondContact N-O 3.36Å; T674-C788 CarbonylContact O-C 3.6Å; T674-C788 WeakPolarHBondContact O-CA 3.27Å; T674-R789 PolarHBondContact O-N 3.44Å; T674-M790 WeakPolarHBondContact O-CB 3.21Å; T674-M790 PolarHBondContact O-N 3.17Å
675	G	76.1	Confident	83.4	Confident	44 Å²	44	21.8 Å²	21.8	45%	0.454	13%	0.13	S	C	.	.	S	Bend	trans	-79.4	-12.9	167.3	0	0	0	0	0	113.7
676	D	69.8	Low	83.2	Confident	35 Å²	35	23.6 Å²	23.6	19%	0.187	13%	0.128	C	C	.	.	S	Bend	trans	-70	167.3	-175	-81.2	7.3	0	0	0	112.9	K410 T411 R594 T674 R789	K410-D676 HydrophobicContact CD-CB 4.46Å; K410-D676 WeakPolarHBondContact CD-OD2 3.44Å; K410-D676 WeakPolarHBondContact CE-OD2 3.07Å; K410-D676 IonicContact NZ-OD2 2.65Å; K410-D676 PolarHBondContact NZ-OD2 2.87Å; T411-D676 PolarHBondContact OG1-OD1 3.25Å; T411-D676 PolarHBondContact OG1-OD2 2.81Å; T411-D676 VanDerWaalsContact OG1-OD2 3.09Å; R594-D676 IonicContact NH2-OD2 3.76Å; T674-D676 VanDerWaalsContact C-N 3.32Å; T674-D676 HydrophobicContact CG2-CB 4.22Å; T674-D676 WeakPolarHBondContact OG1-CB 3.13Å; T674-D676 PolarHBondContact OG1-N 3.18Å; T674-D676 VanDerWaalsContact OG1-N 3.08Å; D676-R789 PolarHBondContact O-N 2.88Å; D676-R789 VanDerWaalsContact O-N 3.11Å
677	K	67.9	Low	82.9	Confident	73 Å²	73	26.1 Å²	26.1	32%	0.317	15%	0.15	S	C	.	.			trans	-60.2	151.7	172.1	-70.6	-175.5	-177.9	175.8	0	110.9	E679 A681	K677-E679 VanDerWaalsContact C-N 3.35Å; K677-E679 PolarHBondContact O-N 2.92Å; K677-A681 WeakPolarHBondContact O-CB 3.38Å; K677-A681 PolarHBondContact O-N 3.01Å; K677-A681 VanDerWaalsContact O-N 3.08Å
678	M	78.3	Confident	82.8	Confident	23 Å²	23	25 Å²	25	11%	0.113	14%	0.138	C	C	.	.	H	α-helix	trans	-58.8	-46	-179	-176.1	-168.7	71.8	0	0	111.9	A681 K682 T701 I750 C788	M678-A681 PolarHBondContact O-N 3.48Å; M678-K682 WeakPolarHBondContact O-CB 3.39Å; M678-K682 PolarHBondContact O-N 2.9Å; M678-T701 HydrophobicContact SD-CG2 3.6Å; M678-T701 VanDerWaalsContact SD-CG2 3.6Å; M678-I750 HydrophobicContact CG-CG2 3.78Å; M678-I750 HydrophobicContact SD-CG2 4.07Å; M678-C788 HydrophobicContact CB-CB 4.35Å
679	E	73.3	Confident	82.5	Confident	66 Å²	66	31.9 Å²	31.9	31%	0.308	16%	0.164	S	C	.	.	H	α-helix	trans	-64.3	-49	-173.6	-63.1	81.1	-179.2	0	0	111.4	K677 A681 K682 S683 K703	K677-E679 VanDerWaalsContact C-N 3.35Å; K677-E679 PolarHBondContact O-N 2.92Å; E679-A681 VanDerWaalsContact C-N 3.35Å; E679-A681 PolarHBondContact O-N 3.07Å; E679-K682 PolarHBondContact O-N 3.34Å; E679-S683 PolarHBondContact O-N 3.26Å; E679-K703 IonicContact OE1-NZ 2.72Å; E679-K703 PolarHBondContact OE1-NZ 3.4Å
680	T	74.1	Confident	82.2	Confident	23 Å²	23	30.3 Å²	30.3	14%	0.141	16%	0.157	C	C	.	.	H	α-helix	trans	-60.4	-44	175.3	-50.7	0	0	0	0	111.7	S683 T684	T680-S683 PolarHBondContact O-N 3.23Å; T680-T684 WeakPolarHBondContact O-CB 3.47Å; T680-T684 PolarHBondContact O-N 2.8Å; T680-T684 PolarHBondContact O-OG1 2.97Å
681	A	82.3	Confident	81.8	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-67.3	-39.6	179.3	0	0	0	0	0	112	T674 K677 M678 E679 T684 C685 L786	T674-A681 HydrophobicContact CG2-CB 3.68Å; K677-A681 WeakPolarHBondContact O-CB 3.38Å; K677-A681 PolarHBondContact O-N 3.01Å; K677-A681 VanDerWaalsContact O-N 3.08Å; M678-A681 PolarHBondContact O-N 3.48Å; E679-A681 VanDerWaalsContact C-N 3.35Å; E679-A681 PolarHBondContact O-N 3.07Å; A681-T684 PolarHBondContact O-N 2.93Å; A681-C685 WeakPolarHBondContact O-CB 3.32Å; A681-C685 PolarHBondContact O-N 3.45Å; A681-C685 PolarHBondContact O-SG 3.37Å; A681-L786 HydrophobicContact CB-CD1 3.82Å; A681-L786 HydrophobicContact CB-CD2 3.89Å; A681-L786 HydrophobicContact CB-CG 4.38Å
682	K	82.8	Confident	81	Confident	55 Å²	55	34 Å²	34	24%	0.239	17%	0.174	C	C	.	.	H	α-helix	trans	-60.2	-45.9	175.5	178.8	172.9	179.2	166.4	0	110.9	M678 E679 C685 Y686 L697 E699 I750 L786	M678-K682 WeakPolarHBondContact O-CB 3.39Å; M678-K682 PolarHBondContact O-N 2.9Å; E679-K682 PolarHBondContact O-N 3.34Å; K682-C685 WeakPolarHBondContact O-CB 3.36Å; K682-C685 PolarHBondContact O-N 3.39Å; K682-Y686 HydrophobicContact CD-CE2 4.5Å; K682-Y686 HydrophobicContact CG-CD2 4.16Å; K682-Y686 HydrophobicContact CG-CE2 3.79Å; K682-Y686 WeakPolarHBondContact O-CD2 3.37Å; K682-Y686 PolarHBondContact O-N 3.28Å; K682-Y686 VanDerWaalsContact O-N 3.1Å; K682-L697 HydrophobicContact CD-CD1 4.27Å; K682-E699 IonicContact NZ-OE1 2.76Å; K682-E699 PolarHBondContact NZ-OE1 3.36Å; K682-I750 HydrophobicContact CD-CD1 4.03Å; K682-I750 HydrophobicContact CG-CD1 4.26Å; K682-L786 HydrophobicContact CB-CD2 4.4Å
683	S	78.8	Confident	80.1	Confident	10 Å²	10	40.9 Å²	40.9	7%	0.07	22%	0.217	C	C	.	.	H	α-helix	trans	-70.5	-40.1	178.6	-169.7	0	0	0	0	113.1	M590 D591 G592 E679 T680 C685 Y686 A687	M590-S683 PolarHBondContact O-OG 2.9Å; D591-S683 VanDerWaalsContact C-OG 3.3Å; D591-S683 PolarHBondContact O-OG 3.39Å; G592-S683 WeakPolarHBondContact CA-OG 3.43Å; G592-S683 PolarHBondContact N-OG 3.43Å; E679-S683 PolarHBondContact O-N 3.26Å; T680-S683 PolarHBondContact O-N 3.23Å; S683-C685 PolarHBondContact O-N 3.25Å; S683-Y686 WeakPolarHBondContact O-CA 3.18Å; S683-Y686 WeakPolarHBondContact O-CB 3.38Å; S683-Y686 PolarHBondContact O-N 3.33Å; S683-A687 PolarHBondContact O-N 3.01Å
684	T	82.8	Confident	79.4	Confident	14 Å²	14	45.4 Å²	45.4	9%	0.086	24%	0.241	C	C	.	.	H	α-helix	trans	-56.9	-40.5	172	-50.6	0	0	0	0	110.8	K410 T415 L652 T680 A681 Y686 A687 C688	K410-T684 HydrophobicContact CD-CG2 4.33Å; K410-T684 HydrophobicContact CG-CG2 3.87Å; T415-T684 HydrophobicContact CG2-CG2 4.31Å; L652-T684 HydrophobicContact CD2-CG2 3.77Å; T680-T684 WeakPolarHBondContact O-CB 3.47Å; T680-T684 PolarHBondContact O-N 2.8Å; T680-T684 PolarHBondContact O-OG1 2.97Å; A681-T684 PolarHBondContact O-N 2.93Å; T684-Y686 PolarHBondContact O-N 3.31Å; T684-A687 PolarHBondContact O-N 3.11Å; T684-C688 VanDerWaalsContact O-CB 3.24Å; T684-C688 WeakPolarHBondContact O-CB 3.38Å; T684-C688 PolarHBondContact O-N 2.85Å; T684-C688 PolarHBondContact O-SG 3.06Å; T684-C688 VanDerWaalsContact O-SG 3.36Å
685	C	86.4	Confident	79.2	Confident	2 Å²	2	46 Å²	46	1%	0.014	24%	0.244	C	C	.	.	H	α-helix	trans	-64.3	-35.6	175.1	-72.1	0	0	0	0	113.3	A681 K682 S683 R689 L690 F691	A681-C685 WeakPolarHBondContact O-CB 3.32Å; A681-C685 PolarHBondContact O-N 3.45Å; A681-C685 PolarHBondContact O-SG 3.37Å; K682-C685 WeakPolarHBondContact O-CB 3.36Å; K682-C685 PolarHBondContact O-N 3.39Å; S683-C685 PolarHBondContact O-N 3.25Å; C685-R689 PolarHBondContact O-N 3.05Å; C685-L690 HydrophobicContact CB-CB 4.22Å; C685-L690 HydrophobicContact CB-CD2 4.12Å; C685-L690 WeakPolarHBondContact O-CB 3.36Å; C685-L690 PolarHBondContact O-N 2.88Å; C685-F691 HydrophobicContact CB-CD2 3.49Å; C685-F691 VanDerWaalsContact CB-CD2 3.49Å; C685-F691 HydrophobicContact CB-CE2 3.67Å; C685-F691 HydrophobicContact CB-CG 4.31Å; C685-F691 PolarHBondContact O-N 3.4Å
686	Y	83	Confident	79.6	Confident	83 Å²	83	46.8 Å²	46.8	33%	0.325	24%	0.236	S	C	.	.	H	α-helix	trans	-67.8	-45.1	172.2	-80.1	-66.2	0	0	0	111.7	K682 S683 T684 C688 R689 F691 L697	K682-Y686 HydrophobicContact CD-CE2 4.5Å; K682-Y686 HydrophobicContact CG-CD2 4.16Å; K682-Y686 HydrophobicContact CG-CE2 3.79Å; K682-Y686 WeakPolarHBondContact O-CD2 3.37Å; K682-Y686 PolarHBondContact O-N 3.28Å; K682-Y686 VanDerWaalsContact O-N 3.1Å; S683-Y686 WeakPolarHBondContact O-CA 3.18Å; S683-Y686 WeakPolarHBondContact O-CB 3.38Å; S683-Y686 PolarHBondContact O-N 3.33Å; T684-Y686 PolarHBondContact O-N 3.31Å; Y686-C688 VanDerWaalsContact C-N 3.29Å; Y686-C688 PolarHBondContact O-N 2.96Å; Y686-R689 WeakPolarHBondContact O-CA 3.43Å; Y686-R689 PolarHBondContact O-N 3.08Å; Y686-F691 HydrophobicContact CD1-CB 3.71Å; Y686-F691 WeakPolarHBondContact CD1-O 3.28Å; Y686-F691 HydrophobicContact CE1-CB 3.58Å; Y686-F691 HydrophobicContact CG-CB 4.32Å; Y686-L697 WeakPolarHBondContact OH-CD1 3.13Å
687	A	81.6	Confident	80.4	Confident	54 Å²	54	46.8 Å²	46.8	45%	0.446	24%	0.236	S	C	.	.	H	α-helix	trans	-62	-38	177.4	0	0	0	0	0	112	L652 S683 T684 R689	L652-A687 HydrophobicContact CD1-CB 3.7Å; S683-A687 PolarHBondContact O-N 3.01Å; T684-A687 PolarHBondContact O-N 3.11Å; A687-R689 PolarHBondContact O-N 2.82Å
688	C	83.8	Confident	81.4	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.007	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-1.8	172.4	-77.4	0	0	0	0	114.6	L652 I660 T684 Y686 L690	L652-C688 VanDerWaalsContact CD2-SG 3.59Å; I660-C688 HydrophobicContact CD1-CB 3.65Å; T684-C688 VanDerWaalsContact O-CB 3.24Å; T684-C688 WeakPolarHBondContact O-CB 3.38Å; T684-C688 PolarHBondContact O-N 2.85Å; T684-C688 PolarHBondContact O-SG 3.06Å; T684-C688 VanDerWaalsContact O-SG 3.36Å; Y686-C688 VanDerWaalsContact C-N 3.29Å; Y686-C688 PolarHBondContact O-N 2.96Å; C688-L690 PolarHBondContact O-N 3.45Å; C688-L690 VanDerWaalsContact O-N 3.14Å
689	R	82.3	Confident	81.9	Confident	147 Å²	147	44.6 Å²	44.6	56%	0.555	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	25.2	-174.2	-54	178.9	-176.4	169	0.5	114	A657 E661 C685 Y686 A687	A657-R689 HydrophobicContact CB-CG 4.4Å; E661-R689 IonicContact OE2-NH1 3.13Å; E661-R689 PolarHBondContact OE2-NH1 3.24Å; C685-R689 PolarHBondContact O-N 3.05Å; Y686-R689 WeakPolarHBondContact O-CA 3.43Å; Y686-R689 PolarHBondContact O-N 3.08Å; A687-R689 PolarHBondContact O-N 2.82Å
690	L	85.4	Confident	82.5	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.01	21%	0.212	C	C	.	.	S	Bend	trans	-71.9	-41.6	172.3	-175	76	0	0	0	110.2	I660 H664 V670 V672 C685 C688 A784	I660-L690 HydrophobicContact CG2-CB 4.27Å; I660-L690 HydrophobicContact CG2-CD1 3.79Å; H664-L690 WeakPolarHBondContact NE2-CD1 3.27Å; V670-L690 HydrophobicContact CB-CD1 3.83Å; V670-L690 HydrophobicContact CG1-CD1 4.04Å; V672-L690 HydrophobicContact CG2-CD2 3.57Å; C685-L690 HydrophobicContact CB-CB 4.22Å; C685-L690 HydrophobicContact CB-CD2 4.12Å; C685-L690 WeakPolarHBondContact O-CB 3.36Å; C685-L690 PolarHBondContact O-N 2.88Å; C688-L690 PolarHBondContact O-N 3.45Å; C688-L690 VanDerWaalsContact O-N 3.14Å; L690-A784 HydrophobicContact CD1-CB 3.83Å; L690-A784 HydrophobicContact CD2-CB 3.99Å; L690-A784 HydrophobicContact CG-CB 3.61Å
691	F	84.1	Confident	82.8	Confident	5 Å²	5	40.8 Å²	40.8	2%	0.022	21%	0.208	C	C	.	.	S	Bend	trans	-101.1	128.9	167.5	-62.3	-41.1	0	0	0	109.2	C685 Y686 T695 L697 I750 A784 L786	C685-F691 HydrophobicContact CB-CD2 3.49Å; C685-F691 VanDerWaalsContact CB-CD2 3.49Å; C685-F691 HydrophobicContact CB-CE2 3.67Å; C685-F691 HydrophobicContact CB-CG 4.31Å; C685-F691 PolarHBondContact O-N 3.4Å; Y686-F691 HydrophobicContact CD1-CB 3.71Å; Y686-F691 WeakPolarHBondContact CD1-O 3.28Å; Y686-F691 HydrophobicContact CE1-CB 3.58Å; Y686-F691 HydrophobicContact CG-CB 4.32Å; F691-T695 HydrophobicContact CD1-CG2 4.25Å; F691-L697 HydrophobicContact CD1-CD2 3.87Å; F691-L697 HydrophobicContact CD2-CD2 4.13Å; F691-L697 HydrophobicContact CE1-CD2 3.87Å; F691-L697 HydrophobicContact CE2-CD2 4.13Å; F691-L697 HydrophobicContact CG-CD2 4.02Å; F691-L697 HydrophobicContact CZ-CD2 4Å; F691-I750 HydrophobicContact CE2-CD1 4.38Å; F691-I750 HydrophobicContact CZ-CG1 4.34Å; F691-A784 HydrophobicContact CD1-CB 4.23Å; F691-A784 HydrophobicContact CE1-CB 3.83Å; F691-L786 HydrophobicContact CE2-CB 4.34Å; F691-L786 HydrophobicContact CE2-CD2 4.27Å; F691-L786 HydrophobicContact CZ-CB 4.03Å
692	Q	77.9	Confident	82.2	Confident	74 Å²	74	42.5 Å²	42.5	35%	0.346	22%	0.219	S	C	.	.			trans	-89.4	162.2	171.7	-62.4	168.2	22.3	0	0	109.1	N694 T695 E746	Q692-N694 WeakPolarHBondContact CB-OD1 3.37Å; Q692-N694 PolarHBondContact O-N 2.99Å; Q692-N694 PolarHBondContact OE1-OD1 3.46Å; Q692-T695 WeakPolarHBondContact CB-OG1 3.44Å; Q692-T695 PolarHBondContact N-OG1 3.42Å; Q692-T695 WeakPolarHBondContact O-CB 3.16Å; Q692-T695 PolarHBondContact O-N 2.62Å; Q692-T695 PolarHBondContact O-OG1 3.34Å; Q692-E746 PolarHBondContact NE2-OE1 2.87Å; Q692-E746 PolarHBondContact NE2-OE2 3.08Å; Q692-E746 VanDerWaalsContact NE2-OE2 3.17Å
693	T	73.9	Confident	81.6	Confident	147 Å²	147	46.9 Å²	46.9	90%	0.902	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.7	-179.2	51.8	0	0	0	0	113.4
694	N	76.8	Confident	81	Confident	95 Å²	95	48.2 Å²	48.2	51%	0.508	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-0.1	175.9	64.8	-23.1	0	0	0	113.5	Q692 E696	Q692-N694 WeakPolarHBondContact CB-OD1 3.37Å; Q692-N694 PolarHBondContact O-N 2.99Å; Q692-N694 PolarHBondContact OE1-OD1 3.46Å; N694-E696 PolarHBondContact O-N 3.34Å
695	T	81.1	Confident	80.2	Confident	12 Å²	12	47.7 Å²	47.7	7%	0.074	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-72.9	123.8	179	-53.1	0	0	0	0	110.1	F691 Q692 L697 E746	F691-T695 HydrophobicContact CD1-CG2 4.25Å; Q692-T695 WeakPolarHBondContact CB-OG1 3.44Å; Q692-T695 PolarHBondContact N-OG1 3.42Å; Q692-T695 WeakPolarHBondContact O-CB 3.16Å; Q692-T695 PolarHBondContact O-N 2.62Å; Q692-T695 PolarHBondContact O-OG1 3.34Å; T695-L697 HydrophobicContact CG2-CD2 4.3Å; T695-E746 CarbonylContact C-O 3.57Å; T695-E746 WeakPolarHBondContact CA-O 3.27Å; T695-E746 HydrophobicContact CG2-CB 4.28Å; T695-E746 WeakPolarHBondContact CG2-O 3.41Å
696	E	85.2	Confident	78.9	Confident	62 Å²	62	53.1 Å²	53.1	29%	0.29	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	123.6	173.8	-169.3	174.5	-164.9	0	0	110.2	N694 K725 E746 Y747 G748	N694-E696 PolarHBondContact O-N 3.34Å; E696-K725 IonicContact OE1-NZ 3.39Å; E696-K725 PolarHBondContact OE1-NZ 3.13Å; E696-K725 VanDerWaalsContact OE2-CE 3.23Å; E696-K725 WeakPolarHBondContact OE2-CE 3.48Å; E696-K725 IonicContact OE2-NZ 3.23Å; E696-K725 PolarHBondContact OE2-NZ 3.38Å; E696-K725 VanDerWaalsContact OE2-NZ 3.14Å; E696-E746 PolarHBondContact N-O 3.3Å; E696-Y747 HydrophobicContact CB-CD1 4.08Å; E696-Y747 HydrophobicContact CB-CE1 4.13Å; E696-Y747 HydrophobicContact CG-CE1 4.41Å; E696-Y747 WeakPolarHBondContact O-CA 3.41Å; E696-Y747 VanDerWaalsContact OE2-CE1 3.25Å; E696-Y747 WeakPolarHBondContact OE2-CE1 3.43Å; E696-G748 PolarHBondContact O-N 3.3Å
697	L	87.1	Confident	77.5	Confident	35 Å²	35	56.2 Å²	56.2	18%	0.183	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.3	-176.2	-61.6	178.4	0	0	0	111.2	K682 Y686 F691 T695 I750	K682-L697 HydrophobicContact CD-CD1 4.27Å; Y686-L697 WeakPolarHBondContact OH-CD1 3.13Å; F691-L697 HydrophobicContact CD1-CD2 3.87Å; F691-L697 HydrophobicContact CD2-CD2 4.13Å; F691-L697 HydrophobicContact CE1-CD2 3.87Å; F691-L697 HydrophobicContact CE2-CD2 4.13Å; F691-L697 HydrophobicContact CG-CD2 4.02Å; F691-L697 HydrophobicContact CZ-CD2 4Å; T695-L697 HydrophobicContact CG2-CD2 4.3Å; L697-I750 HydrophobicContact CD1-CD1 4.11Å
698	L	89.4	Confident	76.1	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	113.5	170.8	-54.5	178.5	0	0	0	107.8	Y722 L726 Y747 G748 L749 I750 I778	L698-Y722 HydrophobicContact CB-CD2 4.07Å; L698-Y722 HydrophobicContact CB-CE2 3.93Å; L698-Y722 HydrophobicContact CB-CG 4.42Å; L698-Y722 HydrophobicContact CD1-CD2 4.46Å; L698-Y722 HydrophobicContact CD1-CG 4.19Å; L698-Y722 HydrophobicContact CD2-CD1 3.79Å; L698-Y722 HydrophobicContact CD2-CE1 3.86Å; L698-Y722 HydrophobicContact CD2-CG 4.19Å; L698-L726 HydrophobicContact CD1-CD1 3.99Å; L698-L726 HydrophobicContact CD1-CG 4.34Å; L698-Y747 HydrophobicContact CD1-CD1 4.26Å; L698-Y747 HydrophobicContact CD2-CD1 4.33Å; L698-Y747 HydrophobicContact CG-CD1 4.26Å; L698-G748 PolarHBondContact N-O 3.08Å; L698-L749 HydrophobicContact CB-CD1 3.89Å; L698-L749 CarbonylContact O-C 3.59Å; L698-L749 WeakPolarHBondContact O-CA 3.25Å; L698-I750 PolarHBondContact O-N 3.34Å; L698-I778 HydrophobicContact CD1-CG2 4.5Å
699	E	88.1	Confident	74.7	Confident	47 Å²	47	65.6 Å²	65.6	22%	0.22	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	126.8	-177.4	-59.3	-172.1	176.7	0	0	110	K682 T701 Y722 I750	K682-E699 IonicContact NZ-OE1 2.76Å; K682-E699 PolarHBondContact NZ-OE1 3.36Å; E699-T701 HydrophobicContact CB-CG2 4.36Å; E699-Y722 PolarHBondContact O-OH 3.4Å; E699-I750 HydrophobicContact CG-CB 4.32Å; E699-I750 HydrophobicContact CG-CD1 4.35Å
700	L	85.8	Confident	73.8	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	80.3	173.5	-69.8	176.8	0	0	0	108.1	L715 L718 L719 Y722 L749 I750 I751 D752 T755 F775	L700-L715 HydrophobicContact CD2-CD1 4.42Å; L700-L718 HydrophobicContact CD2-CB 4.18Å; L700-L719 HydrophobicContact CD1-CD2 3.97Å; L700-Y722 HydrophobicContact CD2-CD2 4.05Å; L700-Y722 HydrophobicContact CD2-CE2 3.63Å; L700-Y722 HydrophobicContact CG-CD2 4.39Å; L700-Y722 HydrophobicContact CG-CE2 3.99Å; L700-L749 HydrophobicContact CD1-CD1 4Å; L700-L749 HydrophobicContact CG-CD1 4.26Å; L700-I750 PolarHBondContact N-O 2.79Å; L700-I751 HydrophobicContact CB-CB 4.44Å; L700-I751 HydrophobicContact CB-CG1 4.28Å; L700-I751 WeakPolarHBondContact O-CA 3.49Å; L700-D752 PolarHBondContact O-N 3.05Å; L700-T755 HydrophobicContact CB-CG2 4.37Å; L700-F775 HydrophobicContact CD1-CD2 4.31Å; L700-F775 HydrophobicContact CD1-CE2 4.34Å
701	T	80.6	Confident	73	Confident	9 Å²	9	71 Å²	71	6%	0.055	35%	0.346	C	S	.	.			trans	-125.7	159.8	-172.9	70.4	0	0	0	0	111.9	M678 E699 K703 T704 I705	M678-T701 HydrophobicContact SD-CG2 3.6Å; M678-T701 VanDerWaalsContact SD-CG2 3.6Å; E699-T701 HydrophobicContact CB-CG2 4.36Å; T701-K703 PolarHBondContact O-N 2.77Å; T701-T704 PolarHBondContact N-OG1 2.91Å; T701-T704 PolarHBondContact O-N 3Å; T701-T704 PolarHBondContact O-OG1 3.04Å; T701-T704 PolarHBondContact OG1-OG1 3.19Å; T701-I705 WeakPolarHBondContact O-CD1 3.08Å; T701-I705 WeakPolarHBondContact O-CG1 3.35Å; T701-I705 PolarHBondContact O-N 3.33Å
702	T	69.8	Low	72.2	Confident	37 Å²	37	74.7 Å²	74.7	23%	0.227	36%	0.364	C	S	.	.	H	α-helix	trans	-56	-38.3	177.7	-55.8	0	0	0	0	111.7	T704 I705 E706 D752 S754	T702-T704 VanDerWaalsContact C-N 3.3Å; T702-T704 PolarHBondContact O-N 3.48Å; T702-I705 PolarHBondContact O-N 3.18Å; T702-E706 VanDerWaalsContact CG2-CD 3.4Å; T702-E706 HydrophobicContact CG2-CG 3.76Å; T702-E706 WeakPolarHBondContact CG2-OE1 3.15Å; T702-E706 WeakPolarHBondContact O-CB 3.22Å; T702-E706 WeakPolarHBondContact O-CG 3.29Å; T702-E706 PolarHBondContact O-N 3.04Å; T702-D752 WeakPolarHBondContact CB-OD2 3.46Å; T702-D752 PolarHBondContact N-OD2 3.09Å; T702-D752 PolarHBondContact OG1-OD2 3.41Å; T702-S754 PolarHBondContact OG1-OG 3.24Å
703	K	69.4	Low	72	Confident	146 Å²	146	75.7 Å²	75.7	64%	0.635	37%	0.371	S	S	*	.	H	α-helix	trans	-57.2	-42.5	175	-69.5	-175.3	177.8	171.9	0	112.1	E679 T701 I705	E679-K703 IonicContact OE1-NZ 2.72Å; E679-K703 PolarHBondContact OE1-NZ 3.4Å; T701-K703 PolarHBondContact O-N 2.77Å; K703-I705 VanDerWaalsContact C-N 3.28Å; K703-I705 PolarHBondContact O-N 3.05Å
704	T	65.9	Low	72	Confident	38 Å²	38	71.8 Å²	71.8	23%	0.233	34%	0.34	C	S	.	.	H	α-helix	trans	-73.8	-16.1	178.7	53.9	0	0	0	0	114.1	T701 T702 R714	T701-T704 PolarHBondContact N-OG1 2.91Å; T701-T704 PolarHBondContact O-N 3Å; T701-T704 PolarHBondContact O-OG1 3.04Å; T701-T704 PolarHBondContact OG1-OG1 3.19Å; T702-T704 VanDerWaalsContact C-N 3.3Å; T702-T704 PolarHBondContact O-N 3.48Å; T704-R714 VanDerWaalsContact O-CZ 3.24Å; T704-R714 PolarHBondContact O-NE 3.43Å; T704-R714 PolarHBondContact O-NH2 2.98Å; T704-R714 VanDerWaalsContact O-NH2 3.13Å
705	I	66.6	Low	72	Confident	3 Å²	3	67.4 Å²	67.4	2%	0.015	32%	0.317	C	S	.	.	H	α-helix	trans	-105	-26.4	-173.1	-62.4	165.8	0	0	0	111.9	T701 T702 K703 E707 S708 K711 L715 T755	T701-I705 WeakPolarHBondContact O-CD1 3.08Å; T701-I705 WeakPolarHBondContact O-CG1 3.35Å; T701-I705 PolarHBondContact O-N 3.33Å; T702-I705 PolarHBondContact O-N 3.18Å; K703-I705 VanDerWaalsContact C-N 3.28Å; K703-I705 PolarHBondContact O-N 3.05Å; I705-E707 VanDerWaalsContact C-N 3.29Å; I705-E707 PolarHBondContact O-N 3.35Å; I705-S708 PolarHBondContact O-OG 2.93Å; I705-K711 HydrophobicContact CG2-CB 3.67Å; I705-K711 HydrophobicContact CG2-CG 3.98Å; I705-L715 HydrophobicContact CD1-CD1 4.38Å; I705-T755 HydrophobicContact CD1-CG2 3.48Å; I705-T755 VanDerWaalsContact CD1-CG2 3.48Å; I705-T755 VanDerWaalsContact CD1-OG1 3.25Å; I705-T755 WeakPolarHBondContact CD1-OG1 3.09Å
706	E	60.1	Low	71.9	Confident	116 Å²	116	69.5 Å²	69.5	54%	0.542	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-13.2	-176.6	-79.5	-176.7	165.8	0	0	115.5	T702 S708 K711	T702-E706 VanDerWaalsContact CG2-CD 3.4Å; T702-E706 HydrophobicContact CG2-CG 3.76Å; T702-E706 WeakPolarHBondContact CG2-OE1 3.15Å; T702-E706 WeakPolarHBondContact O-CB 3.22Å; T702-E706 WeakPolarHBondContact O-CG 3.29Å; T702-E706 PolarHBondContact O-N 3.04Å; E706-S708 PolarHBondContact O-N 3.36Å; E706-S708 VanDerWaalsContact O-N 3.12Å; E706-K711 IonicContact OE1-NZ 3.14Å
707	E	53.2	Low	71.7	Confident	149 Å²	149	73 Å²	73	70%	0.696	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	8.1	178.9	-83.3	-176.5	169.4	0	0	114.8	I705 R714	I705-E707 VanDerWaalsContact C-N 3.29Å; I705-E707 PolarHBondContact O-N 3.35Å; E707-R714 IonicContact OE2-CZ 2.98Å; E707-R714 IonicContact OE2-NH1 3.06Å; E707-R714 PolarHBondContact OE2-NH1 3.03Å; E707-R714 IonicContact OE2-NH2 3.44Å; E707-R714 PolarHBondContact OE2-NH2 2.98Å
708	S	52.5	Low	71.5	Confident	38 Å²	38	72.4 Å²	72.4	27%	0.266	34%	0.338	S	S	.	.	S	Bend	trans	-135.9	149	-176.8	62.3	0	0	0	0	113.4	I705 E706 R710 R714	I705-S708 PolarHBondContact O-OG 2.93Å; E706-S708 PolarHBondContact O-N 3.36Å; E706-S708 VanDerWaalsContact O-N 3.12Å; S708-R710 PolarHBondContact O-N 2.85Å; S708-R710 VanDerWaalsContact O-N 3.14Å; S708-R714 WeakPolarHBondContact OG-CB 3.41Å; S708-R714 WeakPolarHBondContact OG-CD 3.33Å
709	E	53.7	Low	71.1	Confident	214 Å²	214	72.3 Å²	72.3	100%	1	34%	0.338	S	S	*	.	S	Bend	trans	-62.3	-18.7	-178.7	-75.9	-178.3	152	0	0	113.8
710	R	64.1	Low	70.8	Confident	163 Å²	163	72.6 Å²	72.6	62%	0.615	34%	0.34	S	S	*	.			trans	-138.3	102	178	-159.1	164	-174.6	160.3	1.1	112.5	S708 E712 D713	S708-R710 PolarHBondContact O-N 2.85Å; S708-R710 VanDerWaalsContact O-N 3.14Å; R710-E712 PolarHBondContact O-N 3.14Å; R710-E712 VanDerWaalsContact O-N 3.08Å; R710-D713 WeakPolarHBondContact CD-OD2 3.4Å; R710-D713 PolarHBondContact O-N 2.52Å
711	K	66.8	Low	70.8	Confident	100 Å²	100	77.5 Å²	77.5	44%	0.435	36%	0.364	S	S	.	.	H	α-helix	trans	-53.7	-30.3	-176	-62.5	-172.9	177.1	-169.8	0	114.6	I705 E706 L715	I705-K711 HydrophobicContact CG2-CB 3.67Å; I705-K711 HydrophobicContact CG2-CG 3.98Å; E706-K711 IonicContact OE1-NZ 3.14Å; K711-L715 WeakPolarHBondContact O-CB 3.44Å; K711-L715 PolarHBondContact O-N 2.91Å
712	E	69.3	Low	70.9	Confident	82 Å²	82	78.5 Å²	78.5	38%	0.383	37%	0.366	S	S	.	.	H	α-helix	trans	-76.4	-34.1	-176.7	-65.8	-179.3	160.6	0	0	113.8	R710 H716	R710-E712 PolarHBondContact O-N 3.14Å; R710-E712 VanDerWaalsContact O-N 3.08Å; E712-H716 PolarHBondContact O-N 2.94Å
713	D	72	Confident	71.3	Confident	95 Å²	95	80.8 Å²	80.8	51%	0.508	37%	0.371	S	S	.	.	H	α-helix	trans	-73.9	-42.5	-177.1	-67	-26.7	0	0	0	110.7	R710 L715 H716 E717	R710-D713 WeakPolarHBondContact CD-OD2 3.4Å; R710-D713 PolarHBondContact O-N 2.52Å; D713-L715 VanDerWaalsContact C-N 3.35Å; D713-L715 PolarHBondContact O-N 3.32Å; D713-H716 WeakPolarHBondContact O-CB 3.22Å; D713-H716 PolarHBondContact O-N 3.12Å; D713-H716 VanDerWaalsContact O-N 3.16Å; D713-E717 PolarHBondContact O-N 3.01Å
714	R	75.1	Confident	71.9	Confident	65 Å²	65	80.7 Å²	80.7	25%	0.245	37%	0.37	C	S	.	.	H	α-helix	trans	-65.7	-37.4	174.7	-172.7	161	174.3	155.6	-6.4	112.2	T704 E707 S708 H716 E717 L718	T704-R714 VanDerWaalsContact O-CZ 3.24Å; T704-R714 PolarHBondContact O-NE 3.43Å; T704-R714 PolarHBondContact O-NH2 2.98Å; T704-R714 VanDerWaalsContact O-NH2 3.13Å; E707-R714 IonicContact OE2-CZ 2.98Å; E707-R714 IonicContact OE2-NH1 3.06Å; E707-R714 PolarHBondContact OE2-NH1 3.03Å; E707-R714 IonicContact OE2-NH2 3.44Å; E707-R714 PolarHBondContact OE2-NH2 2.98Å; S708-R714 WeakPolarHBondContact OG-CB 3.41Å; S708-R714 WeakPolarHBondContact OG-CD 3.33Å; R714-H716 VanDerWaalsContact C-N 3.32Å; R714-H716 PolarHBondContact O-N 2.71Å; R714-E717 PolarHBondContact O-N 3.29Å; R714-L718 HydrophobicContact CG-CD1 4.28Å; R714-L718 WeakPolarHBondContact O-CB 3.46Å; R714-L718 WeakPolarHBondContact O-CG 3.42Å; R714-L718 PolarHBondContact O-N 2.88Å
715	L	76.3	Confident	72.6	Confident	3 Å²	3	82.2 Å²	82.2	2%	0.016	37%	0.374	C	S	.	.	H	α-helix	trans	-61.5	-41.6	171.7	177.9	63.4	0	0	0	111.3	L700 I705 K711 D713 L719 T755 L758 I759	L700-L715 HydrophobicContact CD2-CD1 4.42Å; I705-L715 HydrophobicContact CD1-CD1 4.38Å; K711-L715 WeakPolarHBondContact O-CB 3.44Å; K711-L715 PolarHBondContact O-N 2.91Å; D713-L715 VanDerWaalsContact C-N 3.35Å; D713-L715 PolarHBondContact O-N 3.32Å; L715-L719 HydrophobicContact CD1-CD1 4.12Å; L715-L719 HydrophobicContact CD1-CG 4.23Å; L715-L719 HydrophobicContact CG-CD1 4.04Å; L715-L719 WeakPolarHBondContact O-CB 3.4Å; L715-L719 WeakPolarHBondContact O-CG 3.26Å; L715-L719 PolarHBondContact O-N 3.5Å; L715-T755 HydrophobicContact CD1-CG2 3.8Å; L715-L758 HydrophobicContact CD2-CB 4.46Å; L715-I759 HydrophobicContact CD1-CD1 4.31Å; L715-I759 HydrophobicContact CD1-CG1 4.35Å; L715-I759 HydrophobicContact CD2-CG1 3.86Å
716	H	78.4	Confident	72.9	Confident	56 Å²	56	82.1 Å²	82.1	26%	0.259	37%	0.374	S	S	.	.	H	α-helix	trans	-64.5	-44.4	176.8	-172.6	60.5	0	0	0	112.4	E712 D713 R714 L719 I720 Y771	E712-H716 PolarHBondContact O-N 2.94Å; D713-H716 WeakPolarHBondContact O-CB 3.22Å; D713-H716 PolarHBondContact O-N 3.12Å; D713-H716 VanDerWaalsContact O-N 3.16Å; R714-H716 VanDerWaalsContact C-N 3.32Å; R714-H716 PolarHBondContact O-N 2.71Å; H716-L719 PolarHBondContact O-N 2.9Å; H716-I720 VanDerWaalsContact CE1-CD1 3.5Å; H716-I720 WeakPolarHBondContact CE1-CD1 3.2Å; H716-I720 WeakPolarHBondContact NE2-CD1 3Å; H716-I720 WeakPolarHBondContact O-CG1 3.43Å; H716-I720 PolarHBondContact O-N 3.31Å; H716-Y771 HydrophobicContact CB-CE1 4.23Å; H716-Y771 AromaticContact CE1-CE1 3.62Å; H716-Y771 AromaticContact CG-CE1 3.83Å; H716-Y771 AromaticContact ND1-CD1 3.72Å; H716-Y771 AromaticContact ND1-CE1 2.99Å; H716-Y771 WeakPolarHBondContact ND1-CE1 3.45Å; H716-Y771 AromaticContact ND1-CZ 3.66Å
717	E	81.8	Confident	73.4	Confident	134 Å²	134	79.9 Å²	79.9	63%	0.626	37%	0.365	S	S	*	.	H	α-helix	trans	-59.4	-52.2	177.5	-173.9	173.6	-163.2	0	0	111.4	D713 R714 L719 I720 E721	D713-E717 PolarHBondContact O-N 3.01Å; R714-E717 PolarHBondContact O-N 3.29Å; E717-L719 PolarHBondContact O-N 2.98Å; E717-I720 PolarHBondContact O-N 2.96Å; E717-I720 VanDerWaalsContact O-N 3.14Å; E717-E721 WeakPolarHBondContact O-CB 3.31Å; E717-E721 PolarHBondContact O-N 3.38Å
718	L	81.8	Confident	73.9	Confident	23 Å²	23	81.3 Å²	81.3	12%	0.12	37%	0.371	C	S	.	.	H	α-helix	trans	-59.3	-43.8	177.7	-73	170.2	0	0	0	112.1	L700 R714 I720 E721 Y722	L700-L718 HydrophobicContact CD2-CB 4.18Å; R714-L718 HydrophobicContact CG-CD1 4.28Å; R714-L718 WeakPolarHBondContact O-CB 3.46Å; R714-L718 WeakPolarHBondContact O-CG 3.42Å; R714-L718 PolarHBondContact O-N 2.88Å; L718-I720 VanDerWaalsContact C-N 3.33Å; L718-I720 PolarHBondContact O-N 3.4Å; L718-E721 PolarHBondContact O-N 3.14Å; L718-Y722 VanDerWaalsContact O-CB 3.31Å; L718-Y722 WeakPolarHBondContact O-CB 3.19Å; L718-Y722 PolarHBondContact O-N 2.9Å
719	L	81.8	Confident	74.1	Confident	0 Å²	0	83.4 Å²	83.4	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-62.9	-38.9	177.3	-76.1	173.6	0	0	0	112	L700 L715 H716 E717 R723 I774 F775 I778	L700-L719 HydrophobicContact CD1-CD2 3.97Å; L715-L719 HydrophobicContact CD1-CD1 4.12Å; L715-L719 HydrophobicContact CD1-CG 4.23Å; L715-L719 HydrophobicContact CG-CD1 4.04Å; L715-L719 WeakPolarHBondContact O-CB 3.4Å; L715-L719 WeakPolarHBondContact O-CG 3.26Å; L715-L719 PolarHBondContact O-N 3.5Å; H716-L719 PolarHBondContact O-N 2.9Å; E717-L719 PolarHBondContact O-N 2.98Å; L719-R723 WeakPolarHBondContact O-CB 3.39Å; L719-R723 PolarHBondContact O-N 3.38Å; L719-I774 HydrophobicContact CB-CG2 3.91Å; L719-I774 HydrophobicContact CD2-CG2 4.47Å; L719-F775 HydrophobicContact CD2-CB 4.44Å; L719-F775 HydrophobicContact CD2-CD2 4.5Å; L719-I778 HydrophobicContact CD2-CD1 3.66Å
720	I	82.8	Confident	74.2	Confident	53 Å²	53	76.6 Å²	76.6	27%	0.272	34%	0.344	S	S	.	.	H	α-helix	trans	-71.8	-41.2	175.9	-72.3	-175.1	0	0	0	111.3	H716 E717 L718 R723 K724	H716-I720 VanDerWaalsContact CE1-CD1 3.5Å; H716-I720 WeakPolarHBondContact CE1-CD1 3.2Å; H716-I720 WeakPolarHBondContact NE2-CD1 3Å; H716-I720 WeakPolarHBondContact O-CG1 3.43Å; H716-I720 PolarHBondContact O-N 3.31Å; E717-I720 PolarHBondContact O-N 2.96Å; E717-I720 VanDerWaalsContact O-N 3.14Å; L718-I720 VanDerWaalsContact C-N 3.33Å; L718-I720 PolarHBondContact O-N 3.4Å; I720-R723 PolarHBondContact O-N 3.18Å; I720-K724 HydrophobicContact CG2-CD 4.04Å; I720-K724 HydrophobicContact CG2-CG 4.33Å; I720-K724 WeakPolarHBondContact O-CB 3.46Å; I720-K724 WeakPolarHBondContact O-CG 2.89Å; I720-K724 PolarHBondContact O-N 3.45Å
721	E	84.8	Confident	73.3	Confident	104 Å²	104	73.4 Å²	73.4	49%	0.486	34%	0.344	S	S	.	.	H	α-helix	trans	-59.8	-55	177.3	-174.3	-172.1	167	0	0	110.6	E717 L718 R723 K724 K725	E717-E721 WeakPolarHBondContact O-CB 3.31Å; E717-E721 PolarHBondContact O-N 3.38Å; L718-E721 PolarHBondContact O-N 3.14Å; E721-R723 VanDerWaalsContact C-N 3.28Å; E721-R723 PolarHBondContact O-N 2.97Å; E721-K724 PolarHBondContact O-N 3.09Å; E721-K725 WeakPolarHBondContact O-CB 3.38Å; E721-K725 PolarHBondContact O-N 3.39Å
722	Y	82.7	Confident	72.3	Confident	29 Å²	29	78.7 Å²	78.7	11%	0.114	37%	0.367	C	S	.	.	H	α-helix	trans	-59.5	-40.6	177.1	-67.9	-11.9	0	0	0	111.5	L698 E699 L700 L718 K725 L726	L698-Y722 HydrophobicContact CB-CD2 4.07Å; L698-Y722 HydrophobicContact CB-CE2 3.93Å; L698-Y722 HydrophobicContact CB-CG 4.42Å; L698-Y722 HydrophobicContact CD1-CD2 4.46Å; L698-Y722 HydrophobicContact CD1-CG 4.19Å; L698-Y722 HydrophobicContact CD2-CD1 3.79Å; L698-Y722 HydrophobicContact CD2-CE1 3.86Å; L698-Y722 HydrophobicContact CD2-CG 4.19Å; E699-Y722 PolarHBondContact O-OH 3.4Å; L700-Y722 HydrophobicContact CD2-CD2 4.05Å; L700-Y722 HydrophobicContact CD2-CE2 3.63Å; L700-Y722 HydrophobicContact CG-CD2 4.39Å; L700-Y722 HydrophobicContact CG-CE2 3.99Å; L718-Y722 VanDerWaalsContact O-CB 3.31Å; L718-Y722 WeakPolarHBondContact O-CB 3.19Å; L718-Y722 PolarHBondContact O-N 2.9Å; Y722-K725 PolarHBondContact O-N 3.21Å; Y722-L726 WeakPolarHBondContact O-CB 3.42Å; Y722-L726 VanDerWaalsContact O-CG 3.25Å; Y722-L726 WeakPolarHBondContact O-CG 3.31Å; Y722-L726 PolarHBondContact O-N 3.11Å
723	R	78.7	Confident	70.6	Confident	86 Å²	86	79.3 Å²	79.3	33%	0.325	38%	0.381	S	S	.	.	H	α-helix	trans	-61.2	-45.5	174	179.9	-177.6	-171.1	-168	8	111.8	L719 I720 E721 L727 I774 Q777 I778	L719-R723 WeakPolarHBondContact O-CB 3.39Å; L719-R723 PolarHBondContact O-N 3.38Å; I720-R723 PolarHBondContact O-N 3.18Å; E721-R723 VanDerWaalsContact C-N 3.28Å; E721-R723 PolarHBondContact O-N 2.97Å; R723-L727 HydrophobicContact CG-CD1 3.55Å; R723-L727 VanDerWaalsContact O-CB 3.32Å; R723-L727 WeakPolarHBondContact O-CB 3.38Å; R723-L727 VanDerWaalsContact O-CD1 3.29Å; R723-L727 WeakPolarHBondContact O-CD1 3.46Å; R723-L727 PolarHBondContact O-N 2.99Å; R723-I774 HydrophobicContact CB-CG2 4.36Å; R723-Q777 VanDerWaalsContact CZ-OE1 3.27Å; R723-I778 HydrophobicContact CB-CG1 4.4Å
724	K	81.9	Confident	68.9	Low	143 Å²	143	80.9 Å²	80.9	62%	0.622	39%	0.394	S	S	*	.	H	α-helix	trans	-64.7	-45.7	179	-79.3	176.5	-178.7	173.4	0	110.8	I720 E721 L726 L727 H728	I720-K724 HydrophobicContact CG2-CD 4.04Å; I720-K724 HydrophobicContact CG2-CG 4.33Å; I720-K724 WeakPolarHBondContact O-CB 3.46Å; I720-K724 WeakPolarHBondContact O-CG 2.89Å; I720-K724 PolarHBondContact O-N 3.45Å; E721-K724 PolarHBondContact O-N 3.09Å; K724-L726 PolarHBondContact O-N 3.15Å; K724-L727 PolarHBondContact O-N 3.2Å; K724-H728 WeakPolarHBondContact O-CB 3.39Å; K724-H728 PolarHBondContact O-N 3.47Å
725	K	80.3	Confident	67.2	Low	71 Å²	71	89.6 Å²	89.6	31%	0.309	43%	0.427	S	S	.	.	H	α-helix	trans	-53.5	-52.4	175.4	-168.1	171.8	-177.4	174.6	0	111.1	E696 E721 Y722 L727 H728 E729 Y747	E696-K725 IonicContact OE1-NZ 3.39Å; E696-K725 PolarHBondContact OE1-NZ 3.13Å; E696-K725 VanDerWaalsContact OE2-CE 3.23Å; E696-K725 WeakPolarHBondContact OE2-CE 3.48Å; E696-K725 IonicContact OE2-NZ 3.23Å; E696-K725 PolarHBondContact OE2-NZ 3.38Å; E696-K725 VanDerWaalsContact OE2-NZ 3.14Å; E721-K725 WeakPolarHBondContact O-CB 3.38Å; E721-K725 PolarHBondContact O-N 3.39Å; Y722-K725 PolarHBondContact O-N 3.21Å; K725-L727 VanDerWaalsContact C-N 3.28Å; K725-L727 PolarHBondContact O-N 2.91Å; K725-H728 PolarHBondContact O-N 3.03Å; K725-E729 PolarHBondContact O-N 3.13Å; K725-Y747 HydrophobicContact CD-CE1 4.44Å
726	L	73.1	Confident	65.4	Low	1 Å²	1	93.7 Å²	93.7	1%	0.005	46%	0.456	C	S	.	.	H	α-helix	trans	-70.7	-11.6	176.2	-66.2	172.6	0	0	0	114.9	L698 Y722 K724 F730 Y747 I778 K781	L698-L726 HydrophobicContact CD1-CD1 3.99Å; L698-L726 HydrophobicContact CD1-CG 4.34Å; Y722-L726 WeakPolarHBondContact O-CB 3.42Å; Y722-L726 VanDerWaalsContact O-CG 3.25Å; Y722-L726 WeakPolarHBondContact O-CG 3.31Å; Y722-L726 PolarHBondContact O-N 3.11Å; K724-L726 PolarHBondContact O-N 3.15Å; L726-F730 HydrophobicContact CD2-CE2 4.2Å; L726-F730 WeakPolarHBondContact O-CD2 3.44Å; L726-Y747 HydrophobicContact CD2-CD1 3.9Å; L726-Y747 HydrophobicContact CD2-CD2 3.38Å; L726-Y747 HydrophobicContact CD2-CE1 4.2Å; L726-Y747 HydrophobicContact CD2-CE2 3.74Å; L726-Y747 HydrophobicContact CD2-CG 3.46Å; L726-Y747 VanDerWaalsContact CD2-CG 3.46Å; L726-I778 HydrophobicContact CD1-CB 4.28Å; L726-I778 HydrophobicContact CD1-CG1 4.35Å; L726-I778 HydrophobicContact CD1-CG2 3.76Å; L726-K781 HydrophobicContact CB-CD 4.03Å; L726-K781 HydrophobicContact CD1-CB 4.38Å; L726-K781 PolarHBondContact O-NZ 3.27Å
727	L	69.6	Low	63.6	Low	68 Å²	68	99.5 Å²	99.5	36%	0.356	48%	0.481	S	S	.	.	H	α-helix	trans	-98.3	-31.3	176	-106	121.2	0	0	0	112.7	R723 K724 K725	R723-L727 HydrophobicContact CG-CD1 3.55Å; R723-L727 VanDerWaalsContact O-CB 3.32Å; R723-L727 WeakPolarHBondContact O-CB 3.38Å; R723-L727 VanDerWaalsContact O-CD1 3.29Å; R723-L727 WeakPolarHBondContact O-CD1 3.46Å; R723-L727 PolarHBondContact O-N 2.99Å; K724-L727 PolarHBondContact O-N 3.2Å; K725-L727 VanDerWaalsContact C-N 3.28Å; K725-L727 PolarHBondContact O-N 2.91Å
728	H	65.4	Low	61.8	Low	179 Å²	179	97.4 Å²	97.4	83%	0.829	47%	0.469	S	S	*	.	H	α-helix	trans	-76.1	-29.8	-178.2	-147.1	-76.6	0	0	0	111.5	K724 K725	K724-H728 WeakPolarHBondContact O-CB 3.39Å; K724-H728 PolarHBondContact O-N 3.47Å; K725-H728 PolarHBondContact O-N 3.03Å
729	E	55.5	Low	59.6	Low	82 Å²	82	105.1 Å²	105.1	38%	0.383	50%	0.502	S	S	.	.	S	Bend	trans	-91.5	-21.1	-178.5	-147.3	175	-139.2	0	0	113.9	K725 P731 Y747	K725-E729 PolarHBondContact O-N 3.13Å; E729-P731 WeakPolarHBondContact O-CD 3.38Å; E729-Y747 WeakPolarHBondContact OE2-CE2 3.37Å; E729-Y747 PolarHBondContact OE2-OH 3.38Å
730	F	56.5	Low	57.4	Low	71 Å²	71	107.6 Å²	107.6	31%	0.311	52%	0.523	S	S	.	.	S	Bend	trans	-99.8	91.5	171.6	-70.3	-91	0	0	0	110	L726 Y747	L726-F730 HydrophobicContact CD2-CE2 4.2Å; L726-F730 WeakPolarHBondContact O-CD2 3.44Å; F730-Y747 HydrophobicContact CE2-CD2 4.31Å; F730-Y747 HydrophobicContact CE2-CE2 4.33Å
731	P	45.8	Very low	55.6	Low	96 Å²	96	109.7 Å²	109.7	62%	0.623	53%	0.527	S	S	*	.			trans	-60.4	148.6	-180	23.2	-32.1	0	0	0	111.5	E729 S733	E729-P731 WeakPolarHBondContact O-CD 3.38Å; P731-S733 PolarHBondContact O-N 2.66Å
732	K	44.5	Very low	53.6	Low	212 Å²	212	111 Å²	111	92%	0.922	54%	0.542	S	S	*	.			trans	-67.7	70.5	176.4	-64.4	176.6	-178	172.5	0	111
733	S	34.2	Very low	51.6	Low	95 Å²	95	118 Å²	118	66%	0.664	58%	0.576	S	S	*	*			trans	-110.4	116.9	169.9	92.1	0	0	0	0	111.8	P731	P731-S733 PolarHBondContact O-N 2.66Å
734	T	37	Very low	50.4	Low	128 Å²	128	118 Å²	118	79%	0.785	58%	0.579	S	S	*	*			trans	2.5	106.4	160.4	30.4	0	0	0	0	119.5	S736	T734-S736 PolarHBondContact O-N 3.01Å
735	R	38.5	Very low	49.3	Very low	247 Å²	247	115.7 Å²	115.7	93%	0.932	57%	0.571	S	S	*	*	S	Bend	trans	49.6	-7.9	137.3	-84.8	-179.4	173.7	167.4	-1.6	121.8	F737	R735-F737 PolarHBondContact O-N 2.63Å
736	S	37.5	Very low	48.9	Very low	89 Å²	89	113.9 Å²	113.9	62%	0.622	56%	0.564	S	S	*	*			trans	-101.3	63	179.2	-172	0	0	0	0	111.4	T734 K738	T734-S736 PolarHBondContact O-N 3.01Å; S736-K738 PolarHBondContact O-N 2.8Å
737	F	42.2	Very low	49.5	Very low	179 Å²	179	114 Å²	114	79%	0.785	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	4.1	-171.6	-104.9	-92	0	0	0	117.3	R735 W741	R735-F737 PolarHBondContact O-N 2.63Å; F737-W741 PolarHBondContact O-NE1 2.79Å
738	K	44.1	Very low	50.4	Low	89 Å²	89	110.8 Å²	110.8	39%	0.387	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-8.5	-166	-70.2	-169.9	165.7	-177.8	0	115.7	S736 M940 S943	S736-K738 PolarHBondContact O-N 2.8Å; K738-M940 HydrophobicContact CB-CE 3.48Å; K738-M940 VanDerWaalsContact CB-CE 3.48Å; K738-M940 HydrophobicContact CB-SD 3.88Å; K738-M940 HydrophobicContact CD-CE 4.02Å; K738-M940 HydrophobicContact CD-CG 3.96Å; K738-M940 HydrophobicContact CD-SD 4.25Å; K738-M940 HydrophobicContact CG-CE 3.63Å; K738-M940 HydrophobicContact CG-SD 4.33Å; K738-M940 PolarHBondContact NZ-O 3.34Å; K738-M940 WeakPolarHBondContact O-CE 3.33Å; K738-S943 PolarHBondContact NZ-O 3.43Å; K738-S943 PolarHBondContact NZ-OG 3.02Å
739	K	34.3	Very low	51.7	Low	185 Å²	185	102.3 Å²	102.3	80%	0.804	51%	0.508	S	S	*	.	S	Bend	trans	-109.7	-6.3	-175.6	-80.9	-171.6	173.4	-172.2	0	115.9
740	A	36.9	Very low	53.4	Low	53 Å²	53	98.4 Å²	98.4	44%	0.438	49%	0.49	S	S	.	.			trans	-102	20.3	-174.1	0	0	0	0	0	114.1	T742 H744	A740-T742 VanDerWaalsContact C-N 3.26Å; A740-T742 PolarHBondContact O-N 2.92Å; A740-H744 PolarHBondContact O-ND1 3.42Å
741	W	44.3	Very low	55.1	Low	96 Å²	96	95 Å²	95	36%	0.364	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-7.5	-173.8	-81.6	71.6	0	0	0	114.1	K669 F737 T783	K669-W741 HydrophobicContact CG-CH2 4.47Å; F737-W741 PolarHBondContact O-NE1 2.79Å; W741-T783 HydrophobicContact CZ3-CG2 4.2Å
742	T	42.3	Very low	57.1	Low	132 Å²	132	91 Å²	91	81%	0.81	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-2.2	-170	38.2	0	0	0	0	115.1	A740	A740-T742 VanDerWaalsContact C-N 3.26Å; A740-T742 PolarHBondContact O-N 2.92Å
743	E	41.3	Very low	58.8	Low	176 Å²	176	81.1 Å²	81.1	82%	0.822	41%	0.406	S	S	*	.	S	Bend	trans	-124.5	-4.2	-174.1	-77.6	179.8	159.6	0	0	115.3
744	H	53.8	Low	61.1	Low	85 Å²	85	79.4 Å²	79.4	39%	0.394	39%	0.394	S	S	.	.	S	Bend	trans	-108.2	146.7	-177.6	-63	74.5	0	0	0	111.7	A740 E746	A740-H744 PolarHBondContact O-ND1 3.42Å; H744-E746 PolarHBondContact O-N 3.36Å
745	Q	58.8	Low	63.3	Low	96 Å²	96	73.3 Å²	73.3	45%	0.449	36%	0.357	S	S	.	.			trans	-56.6	124.2	174.5	-165.7	169	-11.9	0	0	110.1	Y747	Q745-Y747 WeakPolarHBondContact O-CD2 3.47Å
746	E	72.1	Confident	65.5	Low	32 Å²	32	61.6 Å²	61.6	15%	0.15	31%	0.313	C	S	.	.			trans	-80.6	135.5	-177.2	-66.2	-172.7	178.1	0	0	110.6	Q692 T695 E696 H744	Q692-E746 PolarHBondContact NE2-OE1 2.87Å; Q692-E746 PolarHBondContact NE2-OE2 3.08Å; Q692-E746 VanDerWaalsContact NE2-OE2 3.17Å; T695-E746 CarbonylContact C-O 3.57Å; T695-E746 WeakPolarHBondContact CA-O 3.27Å; T695-E746 HydrophobicContact CG2-CB 4.28Å; T695-E746 WeakPolarHBondContact CG2-O 3.41Å; E696-E746 PolarHBondContact N-O 3.3Å; H744-E746 PolarHBondContact O-N 3.36Å
747	Y	84.9	Confident	67.7	Low	5 Å²	5	59 Å²	59	2%	0.02	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	132.3	176.8	-71.3	-85.8	0	0	0	111	E696 L698 K725 L726 E729 F730 Q745 C782 T783	E696-Y747 HydrophobicContact CB-CD1 4.08Å; E696-Y747 HydrophobicContact CB-CE1 4.13Å; E696-Y747 HydrophobicContact CG-CE1 4.41Å; E696-Y747 WeakPolarHBondContact O-CA 3.41Å; E696-Y747 VanDerWaalsContact OE2-CE1 3.25Å; E696-Y747 WeakPolarHBondContact OE2-CE1 3.43Å; L698-Y747 HydrophobicContact CD1-CD1 4.26Å; L698-Y747 HydrophobicContact CD2-CD1 4.33Å; L698-Y747 HydrophobicContact CG-CD1 4.26Å; K725-Y747 HydrophobicContact CD-CE1 4.44Å; L726-Y747 HydrophobicContact CD2-CD1 3.9Å; L726-Y747 HydrophobicContact CD2-CD2 3.38Å; L726-Y747 HydrophobicContact CD2-CE1 4.2Å; L726-Y747 HydrophobicContact CD2-CE2 3.74Å; L726-Y747 HydrophobicContact CD2-CG 3.46Å; L726-Y747 VanDerWaalsContact CD2-CG 3.46Å; E729-Y747 WeakPolarHBondContact OE2-CE2 3.37Å; E729-Y747 PolarHBondContact OE2-OH 3.38Å; F730-Y747 HydrophobicContact CE2-CD2 4.31Å; F730-Y747 HydrophobicContact CE2-CE2 4.33Å; Q745-Y747 WeakPolarHBondContact O-CD2 3.47Å; Y747-C782 WeakPolarHBondContact O-CA 3.34Å; Y747-C782 WeakPolarHBondContact O-CB 3.38Å; Y747-T783 PolarHBondContact O-N 2.83Å
748	G	88.6	Confident	69.6	Low	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	145.8	169.5	0	0	0	0	0	110.9	E696 L698 A784	E696-G748 PolarHBondContact O-N 3.3Å; L698-G748 PolarHBondContact N-O 3.08Å; G748-A784 WeakPolarHBondContact CA-O 3.43Å
749	L	92.1	Very high	71.4	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	132.4	174.3	-177.7	71.3	0	0	0	110.3	L698 L700 F775 I778 C779 C782 A784 V785 L786	L698-L749 HydrophobicContact CB-CD1 3.89Å; L698-L749 CarbonylContact O-C 3.59Å; L698-L749 WeakPolarHBondContact O-CA 3.25Å; L700-L749 HydrophobicContact CD1-CD1 4Å; L700-L749 HydrophobicContact CG-CD1 4.26Å; L749-F775 HydrophobicContact CD2-CE2 3.88Å; L749-I778 HydrophobicContact CD1-CG2 4.2Å; L749-I778 HydrophobicContact CD2-CG2 4.17Å; L749-C779 WeakPolarHBondContact CD2-SG 2.91Å; L749-C782 HydrophobicContact CB-CB 4.37Å; L749-A784 PolarHBondContact N-O 3.27Å; L749-A784 VanDerWaalsContact N-O 3.11Å; L749-V785 HydrophobicContact CB-CG1 4.25Å; L749-V785 HydrophobicContact CB-CG2 4.2Å; L749-V785 HydrophobicContact CD2-CG1 4.19Å; L749-V785 HydrophobicContact CG-CG1 4.45Å; L749-V785 CarbonylContact O-C 3.58Å; L749-V785 WeakPolarHBondContact O-CA 3.49Å; L749-L786 PolarHBondContact O-N 3.37Å
750	I	92.6	Very high	73.4	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.6	174.1	-55.6	-177.8	0	0	0	109	M678 K682 F691 L697 L698 E699 L700 L786	M678-I750 HydrophobicContact CG-CG2 3.78Å; M678-I750 HydrophobicContact SD-CG2 4.07Å; K682-I750 HydrophobicContact CD-CD1 4.03Å; K682-I750 HydrophobicContact CG-CD1 4.26Å; F691-I750 HydrophobicContact CE2-CD1 4.38Å; F691-I750 HydrophobicContact CZ-CG1 4.34Å; L697-I750 HydrophobicContact CD1-CD1 4.11Å; L698-I750 PolarHBondContact O-N 3.34Å; E699-I750 HydrophobicContact CG-CB 4.32Å; E699-I750 HydrophobicContact CG-CD1 4.35Å; L700-I750 PolarHBondContact N-O 2.79Å; I750-L786 CarbonylContact C-O 3.59Å; I750-L786 VanDerWaalsContact CA-O 3.31Å; I750-L786 WeakPolarHBondContact CA-O 3.46Å; I750-L786 HydrophobicContact CD1-CD2 4.4Å; I750-L786 HydrophobicContact CG1-CB 4.33Å; I750-L786 HydrophobicContact CG1-CD2 4.38Å; I750-L786 HydrophobicContact CG2-CD2 4.39Å
751	I	91.4	Very high	75.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	146.3	178.3	-172.4	165.7	0	0	0	111.7	L700 T755 L756 I759 F775 L786 C787 C788	L700-I751 HydrophobicContact CB-CB 4.44Å; L700-I751 HydrophobicContact CB-CG1 4.28Å; L700-I751 WeakPolarHBondContact O-CA 3.49Å; I751-T755 HydrophobicContact CD1-CG2 4.48Å; I751-L756 HydrophobicContact CD1-CB 3.98Å; I751-L756 HydrophobicContact CD1-CD1 4.11Å; I751-L756 HydrophobicContact CG1-CB 4.29Å; I751-I759 HydrophobicContact CD1-CD1 3.77Å; I751-F775 HydrophobicContact CD1-CD2 4.37Å; I751-F775 HydrophobicContact CD1-CE2 3.5Å; I751-F775 HydrophobicContact CD1-CZ 3.69Å; I751-F775 HydrophobicContact CG2-CZ 4.5Å; I751-L786 PolarHBondContact N-O 2.69Å; I751-C787 HydrophobicContact CG2-CB 3.99Å; I751-C787 WeakPolarHBondContact CG2-SG 3.11Å; I751-C787 CarbonylContact O-C 3.58Å; I751-C787 WeakPolarHBondContact O-CA 3.3Å; I751-C788 PolarHBondContact O-N 3.04Å; I751-C788 PolarHBondContact O-SG 3.12Å; I751-C788 VanDerWaalsContact O-SG 3.35Å
752	D	87.4	Confident	75.8	Confident	11 Å²	11	41 Å²	41	6%	0.059	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	161.7	173.4	67.9	4.3	0	0	0	113.4	L700 T702 S754 T755 L756 C788	L700-D752 PolarHBondContact O-N 3.05Å; T702-D752 WeakPolarHBondContact CB-OD2 3.46Å; T702-D752 PolarHBondContact N-OD2 3.09Å; T702-D752 PolarHBondContact OG1-OD2 3.41Å; D752-S754 VanDerWaalsContact C-N 3.35Å; D752-S754 VanDerWaalsContact CG-OG 3.27Å; D752-S754 PolarHBondContact O-N 2.89Å; D752-S754 PolarHBondContact OD1-OG 3.3Å; D752-S754 PolarHBondContact OD2-OG 2.9Å; D752-T755 PolarHBondContact O-N 3.47Å; D752-T755 WeakPolarHBondContact OD1-CA 3.34Å; D752-T755 WeakPolarHBondContact OD1-CB 3.4Å; D752-T755 PolarHBondContact OD1-N 2.97Å; D752-T755 PolarHBondContact OD1-OG1 3.42Å; D752-L756 WeakPolarHBondContact O-CB 3.38Å; D752-L756 PolarHBondContact O-N 3.44Å; D752-C788 WeakPolarHBondContact CA-O 3.4Å
753	G	80.7	Confident	76	Confident	5 Å²	5	39 Å²	39	5%	0.052	21%	0.213	C	C	.	.	H	α-helix	trans	-66.3	-29	-177.3	0	0	0	0	0	116.5	S757 C788 M790 Q794	G753-S757 WeakPolarHBondContact O-CB 3.34Å; G753-S757 PolarHBondContact O-N 2.71Å; G753-C788 PolarHBondContact N-O 3.25Å; G753-C788 VanDerWaalsContact N-O 3.17Å; G753-M790 VanDerWaalsContact N-CE 3.34Å; G753-Q794 PolarHBondContact O-NE2 2.88Å
754	S	81.7	Confident	76.5	Confident	59 Å²	59	39.4 Å²	39.4	41%	0.413	22%	0.215	S	C	.	.	H	α-helix	trans	-66.8	-52	172	37.1	0	0	0	0	110.9	T702 D752 L756 S757 L758	T702-S754 PolarHBondContact OG1-OG 3.24Å; D752-S754 VanDerWaalsContact C-N 3.35Å; D752-S754 VanDerWaalsContact CG-OG 3.27Å; D752-S754 PolarHBondContact O-N 2.89Å; D752-S754 PolarHBondContact OD1-OG 3.3Å; D752-S754 PolarHBondContact OD2-OG 2.9Å; S754-L756 VanDerWaalsContact C-N 3.34Å; S754-L756 PolarHBondContact O-N 3.24Å; S754-S757 WeakPolarHBondContact O-CB 3.29Å; S754-S757 PolarHBondContact O-N 2.72Å; S754-L758 WeakPolarHBondContact O-CG 3.25Å; S754-L758 PolarHBondContact O-N 2.77Å; S754-L758 VanDerWaalsContact O-N 3.11Å
755	T	84.2	Confident	76.4	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-64	-41.2	179	-54.5	0	0	0	0	111.1	L700 I705 L715 I751 D752 S757 L758 I759	L700-T755 HydrophobicContact CB-CG2 4.37Å; I705-T755 HydrophobicContact CD1-CG2 3.48Å; I705-T755 VanDerWaalsContact CD1-CG2 3.48Å; I705-T755 VanDerWaalsContact CD1-OG1 3.25Å; I705-T755 WeakPolarHBondContact CD1-OG1 3.09Å; L715-T755 HydrophobicContact CD1-CG2 3.8Å; I751-T755 HydrophobicContact CD1-CG2 4.48Å; D752-T755 PolarHBondContact O-N 3.47Å; D752-T755 WeakPolarHBondContact OD1-CA 3.34Å; D752-T755 WeakPolarHBondContact OD1-CB 3.4Å; D752-T755 PolarHBondContact OD1-N 2.97Å; D752-T755 PolarHBondContact OD1-OG1 3.42Å; T755-S757 VanDerWaalsContact C-N 3.29Å; T755-S757 PolarHBondContact O-N 3.17Å; T755-L758 WeakPolarHBondContact O-CB 3.33Å; T755-L758 PolarHBondContact O-N 2.85Å; T755-L758 VanDerWaalsContact O-N 3.13Å; T755-I759 HydrophobicContact CG2-CD1 4.21Å; T755-I759 WeakPolarHBondContact O-CG1 3.32Å; T755-I759 PolarHBondContact O-N 3.46Å
756	L	85.4	Confident	75.9	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-42.1	175.8	-179.3	64.4	0	0	0	111.5	I751 D752 S754 L758 I759 L760 F775 M790 Q794 I798	I751-L756 HydrophobicContact CD1-CB 3.98Å; I751-L756 HydrophobicContact CD1-CD1 4.11Å; I751-L756 HydrophobicContact CG1-CB 4.29Å; D752-L756 WeakPolarHBondContact O-CB 3.38Å; D752-L756 PolarHBondContact O-N 3.44Å; S754-L756 VanDerWaalsContact C-N 3.34Å; S754-L756 PolarHBondContact O-N 3.24Å; L756-L758 VanDerWaalsContact C-N 3.29Å; L756-L758 PolarHBondContact O-N 3.49Å; L756-I759 PolarHBondContact O-N 2.98Å; L756-L760 HydrophobicContact CD1-CD1 3.83Å; L756-L760 HydrophobicContact CD1-CG 3.95Å; L756-L760 HydrophobicContact CD2-CD1 4.14Å; L756-L760 HydrophobicContact CG-CD1 3.69Å; L756-L760 HydrophobicContact CG-CG 4.17Å; L756-L760 WeakPolarHBondContact O-CB 3.37Å; L756-L760 VanDerWaalsContact O-CG 3.29Å; L756-L760 WeakPolarHBondContact O-CG 3.4Å; L756-L760 PolarHBondContact O-N 2.78Å; L756-F775 HydrophobicContact CD1-CE1 3.99Å; L756-F775 HydrophobicContact CD1-CZ 4.2Å; L756-M790 HydrophobicContact CB-CE 4.18Å; L756-M790 HydrophobicContact CD2-CE 3.61Å; L756-M790 HydrophobicContact CD2-SD 3.51Å; L756-M790 VanDerWaalsContact CD2-SD 3.51Å; L756-Q794 HydrophobicContact CD2-CB 4.4Å; L756-I798 HydrophobicContact CD1-CD1 3.53Å; L756-I798 HydrophobicContact CD2-CD1 3.58Å; L756-I798 HydrophobicContact CD2-CG1 3.73Å; L756-I798 HydrophobicContact CG-CD1 4.19Å
757	S	83.1	Confident	75	Confident	35 Å²	35	43.2 Å²	43.2	25%	0.245	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-36.7	176.7	-168.4	0	0	0	0	112	G753 S754 T755 L760 N761	G753-S757 WeakPolarHBondContact O-CB 3.34Å; G753-S757 PolarHBondContact O-N 2.71Å; S754-S757 WeakPolarHBondContact O-CB 3.29Å; S754-S757 PolarHBondContact O-N 2.72Å; T755-S757 VanDerWaalsContact C-N 3.29Å; T755-S757 PolarHBondContact O-N 3.17Å; S757-L760 PolarHBondContact O-N 3.38Å; S757-N761 VanDerWaalsContact O-CB 3.22Å; S757-N761 WeakPolarHBondContact O-CB 3.29Å; S757-N761 PolarHBondContact O-N 3.03Å; S757-N761 PolarHBondContact OG-ND2 3.43Å; S757-N761 VanDerWaalsContact OG-ND2 3.08Å
758	L	81.3	Confident	73.3	Confident	70 Å²	70	43.4 Å²	43.4	37%	0.366	26%	0.258	S	S	.	.	H	α-helix	trans	-65.3	-41.7	174.7	-64.5	172.7	0	0	0	111.7	L715 S754 T755 L756 L760 S762	L715-L758 HydrophobicContact CD2-CB 4.46Å; S754-L758 WeakPolarHBondContact O-CG 3.25Å; S754-L758 PolarHBondContact O-N 2.77Å; S754-L758 VanDerWaalsContact O-N 3.11Å; T755-L758 WeakPolarHBondContact O-CB 3.33Å; T755-L758 PolarHBondContact O-N 2.85Å; T755-L758 VanDerWaalsContact O-N 3.13Å; L756-L758 VanDerWaalsContact C-N 3.29Å; L756-L758 PolarHBondContact O-N 3.49Å; L758-L760 VanDerWaalsContact C-N 3.33Å; L758-L760 PolarHBondContact O-N 2.8Å; L758-S762 WeakPolarHBondContact O-CB 3.33Å; L758-S762 PolarHBondContact O-OG 2.89Å
759	I	82.1	Confident	71.7	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-65.5	-36.5	176.3	-63.8	171.2	0	0	0	111.3	L715 I751 T755 L756 F775	L715-I759 HydrophobicContact CD1-CD1 4.31Å; L715-I759 HydrophobicContact CD1-CG1 4.35Å; L715-I759 HydrophobicContact CD2-CG1 3.86Å; I751-I759 HydrophobicContact CD1-CD1 3.77Å; T755-I759 HydrophobicContact CG2-CD1 4.21Å; T755-I759 WeakPolarHBondContact O-CG1 3.32Å; T755-I759 PolarHBondContact O-N 3.46Å; L756-I759 PolarHBondContact O-N 2.98Å; I759-F775 HydrophobicContact CD1-CD2 3.96Å; I759-F775 HydrophobicContact CD1-CE2 4.35Å; I759-F775 HydrophobicContact CD1-CG 4.21Å; I759-F775 HydrophobicContact CG2-CB 4.05Å; I759-F775 HydrophobicContact CG2-CD1 4.27Å; I759-F775 HydrophobicContact CG2-CG 4.19Å
760	L	77.4	Confident	70.6	Confident	25 Å²	25	52.9 Å²	52.9	13%	0.131	31%	0.309	C	S	.	.	H	α-helix	trans	-88.3	-38.9	-174.5	-68.2	178.5	0	0	0	114.3	L756 S757 L758 Q797 M801	L756-L760 HydrophobicContact CD1-CD1 3.83Å; L756-L760 HydrophobicContact CD1-CG 3.95Å; L756-L760 HydrophobicContact CD2-CD1 4.14Å; L756-L760 HydrophobicContact CG-CD1 3.69Å; L756-L760 HydrophobicContact CG-CG 4.17Å; L756-L760 WeakPolarHBondContact O-CB 3.37Å; L756-L760 VanDerWaalsContact O-CG 3.29Å; L756-L760 WeakPolarHBondContact O-CG 3.4Å; L756-L760 PolarHBondContact O-N 2.78Å; S757-L760 PolarHBondContact O-N 3.38Å; L758-L760 VanDerWaalsContact C-N 3.33Å; L758-L760 PolarHBondContact O-N 2.8Å; L760-Q797 HydrophobicContact CD1-CB 4.04Å; L760-M801 HydrophobicContact CD2-SD 4.04Å
761	N	72.3	Confident	69.9	Low	102 Å²	102	54.2 Å²	54.2	55%	0.545	32%	0.315	S	S	.	.	H	α-helix	trans	-88.1	-13.8	-171.7	-74	-11.4	0	0	0	114.7	S757 S763	S757-N761 VanDerWaalsContact O-CB 3.22Å; S757-N761 WeakPolarHBondContact O-CB 3.29Å; S757-N761 PolarHBondContact O-N 3.03Å; S757-N761 PolarHBondContact OG-ND2 3.43Å; S757-N761 VanDerWaalsContact OG-ND2 3.08Å; N761-S763 PolarHBondContact O-N 3.01Å; N761-S763 PolarHBondContact O-OG 3.46Å
762	S	58.4	Low	69.4	Low	26 Å²	26	58.5 Å²	58.5	18%	0.182	33%	0.333	C	S	.	.			trans	-65.2	9.8	179.5	46.6	0	0	0	0	115.2	L758 Q764 D765 S768	L758-S762 WeakPolarHBondContact O-CB 3.33Å; L758-S762 PolarHBondContact O-OG 2.89Å; S762-Q764 PolarHBondContact O-N 3.44Å; S762-D765 PolarHBondContact O-N 3.41Å; S762-S768 VanDerWaalsContact C-CB 3.44Å; S762-S768 WeakPolarHBondContact O-CB 3.39Å; S762-S768 PolarHBondContact O-OG 3.16Å; S762-S768 VanDerWaalsContact O-OG 3.07Å
763	S	47	Very low	69.2	Low	89 Å²	89	60.8 Å²	60.8	62%	0.622	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	3.4	-175.5	62.7	0	0	0	0	118.8	N761 S768	N761-S763 PolarHBondContact O-N 3.01Å; N761-S763 PolarHBondContact O-OG 3.46Å; S763-S768 WeakPolarHBondContact CA-OG 3.45Å
764	Q	51.2	Low	69.3	Low	185 Å²	185	60.7 Å²	60.7	86%	0.864	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-12.6	173	-64.6	-151.5	5.6	0	0	114.2	S762	S762-Q764 PolarHBondContact O-N 3.44Å
765	D	52.3	Low	69.5	Low	106 Å²	106	57.9 Å²	57.9	57%	0.567	33%	0.329	S	S	*	.	S	Bend	trans	-101.9	133.5	176.5	-67.7	-30.5	0	0	0	111.3	S762 S767 S768	S762-D765 PolarHBondContact O-N 3.41Å; D765-S767 PolarHBondContact O-N 3.14Å; D765-S768 VanDerWaalsContact O-CB 3.3Å; D765-S768 WeakPolarHBondContact O-CB 3.44Å; D765-S768 PolarHBondContact O-N 3.45Å; D765-S768 PolarHBondContact O-OG 3.4Å
766	S	47.9	Very low	69.5	Low	126 Å²	126	58.9 Å²	58.9	88%	0.881	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-15.4	-179.4	-52	0	0	0	0	114.6
767	S	52.3	Low	69.4	Low	61 Å²	61	61.4 Å²	61.4	43%	0.427	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-23.3	173.8	-167.3	0	0	0	0	113.9	D765 N769 N770	D765-S767 PolarHBondContact O-N 3.14Å; S767-N769 PolarHBondContact O-N 2.91Å; S767-N770 WeakPolarHBondContact O-CB 3.47Å; S767-N770 PolarHBondContact O-N 3.3Å; S767-N770 VanDerWaalsContact O-N 3.08Å
768	S	50.8	Low	69.5	Low	8 Å²	8	59.8 Å²	59.8	6%	0.056	33%	0.334	C	S	.	.	H	α-helix	trans	-70.9	-29.1	-173	65.1	0	0	0	0	115	S762 S763 D765 N770 Y771 K772	S762-S768 VanDerWaalsContact C-CB 3.44Å; S762-S768 WeakPolarHBondContact O-CB 3.39Å; S762-S768 PolarHBondContact O-OG 3.16Å; S762-S768 VanDerWaalsContact O-OG 3.07Å; S763-S768 WeakPolarHBondContact CA-OG 3.45Å; D765-S768 VanDerWaalsContact O-CB 3.3Å; D765-S768 WeakPolarHBondContact O-CB 3.44Å; D765-S768 PolarHBondContact O-N 3.45Å; D765-S768 PolarHBondContact O-OG 3.4Å; S768-N770 PolarHBondContact O-N 2.98Å; S768-N770 VanDerWaalsContact O-N 3.16Å; S768-Y771 PolarHBondContact O-N 3.45Å; S768-K772 PolarHBondContact O-N 3.4Å
769	N	54.6	Low	69.7	Low	126 Å²	126	56.5 Å²	56.5	67%	0.674	32%	0.317	S	S	*	.	H	α-helix	trans	-61.6	-21.9	171.5	-77.6	-38.2	0	0	0	112	S767 S773	S767-N769 PolarHBondContact O-N 2.91Å; N769-S773 WeakPolarHBondContact O-CB 3.29Å; N769-S773 PolarHBondContact O-OG 3.32Å
770	N	69.2	Low	69.6	Low	74 Å²	74	59.4 Å²	59.4	40%	0.396	33%	0.331	S	S	.	.	H	α-helix	trans	-76.1	-39.9	173.7	-156.3	-1.5	0	0	0	111.3	S767 S768 S773 I774	S767-N770 WeakPolarHBondContact O-CB 3.47Å; S767-N770 PolarHBondContact O-N 3.3Å; S767-N770 VanDerWaalsContact O-N 3.08Å; S768-N770 PolarHBondContact O-N 2.98Å; S768-N770 VanDerWaalsContact O-N 3.16Å; N770-S773 WeakPolarHBondContact CA-OG 3.33Å; N770-S773 PolarHBondContact O-N 3.13Å; N770-S773 PolarHBondContact O-OG 2.88Å; N770-I774 WeakPolarHBondContact O-CB 3.39Å; N770-I774 WeakPolarHBondContact O-CD1 3.46Å; N770-I774 WeakPolarHBondContact O-CG1 3.16Å; N770-I774 PolarHBondContact O-N 3.11Å; N770-I774 VanDerWaalsContact OD1-CD1 3.26Å; N770-I774 WeakPolarHBondContact OD1-CD1 3.32Å
771	Y	78.4	Confident	69.8	Low	28 Å²	28	61.2 Å²	61.2	11%	0.11	34%	0.338	C	S	.	.	H	α-helix	trans	-68.6	-46.5	-175.8	-64.6	-3.2	0	0	0	112.2	H716 S768 S773 I774 F775	H716-Y771 HydrophobicContact CB-CE1 4.23Å; H716-Y771 AromaticContact CE1-CE1 3.62Å; H716-Y771 AromaticContact CG-CE1 3.83Å; H716-Y771 AromaticContact ND1-CD1 3.72Å; H716-Y771 AromaticContact ND1-CE1 2.99Å; H716-Y771 WeakPolarHBondContact ND1-CE1 3.45Å; H716-Y771 AromaticContact ND1-CZ 3.66Å; S768-Y771 PolarHBondContact O-N 3.45Å; Y771-S773 VanDerWaalsContact C-N 3.29Å; Y771-S773 PolarHBondContact O-N 3.16Å; Y771-I774 PolarHBondContact O-N 2.93Å; Y771-F775 VanDerWaalsContact O-CB 3.28Å; Y771-F775 WeakPolarHBondContact O-CB 3.24Å; Y771-F775 PolarHBondContact O-N 3.44Å
772	K	80.7	Confident	70.4	Confident	89 Å²	89	56.4 Å²	56.4	39%	0.387	31%	0.313	S	S	.	.	H	α-helix	trans	-59.8	-40.1	175.7	-175.6	176.2	-177.9	172.9	0	112.3	S768 L776 M801	S768-K772 PolarHBondContact O-N 3.4Å; K772-L776 HydrophobicContact CG-CD1 4.38Å; K772-L776 WeakPolarHBondContact O-CB 3.46Å; K772-L776 WeakPolarHBondContact O-CG 3.16Å; K772-L776 PolarHBondContact O-N 3.4Å; K772-M801 HydrophobicContact CD-SD 4.49Å; K772-M801 HydrophobicContact CG-SD 3.93Å
773	S	81.3	Confident	71.3	Confident	60 Å²	60	56.1 Å²	56.1	42%	0.42	31%	0.31	S	S	.	.	H	α-helix	trans	-73.8	-36.5	179.6	58.3	0	0	0	0	112.8	N769 N770 Y771 Q777	N769-S773 WeakPolarHBondContact O-CB 3.29Å; N769-S773 PolarHBondContact O-OG 3.32Å; N770-S773 WeakPolarHBondContact CA-OG 3.33Å; N770-S773 PolarHBondContact O-N 3.13Å; N770-S773 PolarHBondContact O-OG 2.88Å; Y771-S773 VanDerWaalsContact C-N 3.29Å; Y771-S773 PolarHBondContact O-N 3.16Å; S773-Q777 WeakPolarHBondContact O-CB 3.2Å; S773-Q777 PolarHBondContact O-N 3.18Å
774	I	83.1	Confident	73.2	Confident	2 Å²	2	52 Å²	52	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-64.4	-48.9	172.1	-68.3	162.7	0	0	0	110.5	L719 R723 N770 Y771 L776 Q777 I778	L719-I774 HydrophobicContact CB-CG2 3.91Å; L719-I774 HydrophobicContact CD2-CG2 4.47Å; R723-I774 HydrophobicContact CB-CG2 4.36Å; N770-I774 WeakPolarHBondContact O-CB 3.39Å; N770-I774 WeakPolarHBondContact O-CD1 3.46Å; N770-I774 WeakPolarHBondContact O-CG1 3.16Å; N770-I774 PolarHBondContact O-N 3.11Å; N770-I774 VanDerWaalsContact OD1-CD1 3.26Å; N770-I774 WeakPolarHBondContact OD1-CD1 3.32Å; Y771-I774 PolarHBondContact O-N 2.93Å; I774-L776 VanDerWaalsContact C-N 3.31Å; I774-L776 PolarHBondContact O-N 3.35Å; I774-Q777 WeakPolarHBondContact O-CA 3.36Å; I774-Q777 WeakPolarHBondContact O-CB 3.22Å; I774-Q777 PolarHBondContact O-N 3.5Å; I774-I778 HydrophobicContact CG2-CD1 3.99Å; I774-I778 WeakPolarHBondContact O-CG1 3.2Å; I774-I778 PolarHBondContact O-N 3.28Å
775	F	87.4	Confident	75.2	Confident	1 Å²	1	43.2 Å²	43.2	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-55.6	-47.3	177.7	174.8	-113.2	0	0	0	111.4	L700 L719 L749 I751 L756 I759 Y771 Q777 I778 C779 I798 M801	L700-F775 HydrophobicContact CD1-CD2 4.31Å; L700-F775 HydrophobicContact CD1-CE2 4.34Å; L719-F775 HydrophobicContact CD2-CB 4.44Å; L719-F775 HydrophobicContact CD2-CD2 4.5Å; L749-F775 HydrophobicContact CD2-CE2 3.88Å; I751-F775 HydrophobicContact CD1-CD2 4.37Å; I751-F775 HydrophobicContact CD1-CE2 3.5Å; I751-F775 HydrophobicContact CD1-CZ 3.69Å; I751-F775 HydrophobicContact CG2-CZ 4.5Å; L756-F775 HydrophobicContact CD1-CE1 3.99Å; L756-F775 HydrophobicContact CD1-CZ 4.2Å; I759-F775 HydrophobicContact CD1-CD2 3.96Å; I759-F775 HydrophobicContact CD1-CE2 4.35Å; I759-F775 HydrophobicContact CD1-CG 4.21Å; I759-F775 HydrophobicContact CG2-CB 4.05Å; I759-F775 HydrophobicContact CG2-CD1 4.27Å; I759-F775 HydrophobicContact CG2-CG 4.19Å; Y771-F775 VanDerWaalsContact O-CB 3.28Å; Y771-F775 WeakPolarHBondContact O-CB 3.24Å; Y771-F775 PolarHBondContact O-N 3.44Å; F775-Q777 VanDerWaalsContact C-N 3.3Å; F775-Q777 PolarHBondContact O-N 3.14Å; F775-I778 PolarHBondContact O-N 3.31Å; F775-C779 VanDerWaalsContact CE2-SG 3.54Å; F775-C779 WeakPolarHBondContact CZ-SG 3.41Å; F775-C779 PolarHBondContact O-N 3.36Å; F775-C779 PolarHBondContact O-SG 3.14Å; F775-I798 HydrophobicContact CE1-CD1 4.34Å; F775-M801 HydrophobicContact CD1-CE 3.73Å; F775-M801 HydrophobicContact CD1-SD 4.19Å; F775-M801 HydrophobicContact CE1-CE 3.49Å; F775-M801 VanDerWaalsContact CE1-CE 3.49Å; F775-M801 HydrophobicContact CE1-SD 4.42Å
776	L	84.2	Confident	77.1	Confident	21 Å²	21	38.1 Å²	38.1	11%	0.11	21%	0.213	C	C	.	.	H	α-helix	trans	-60.6	-38.7	174.5	-82.2	167.7	0	0	0	113.1	K772 I774 I778 C779 M780 M801 L805	K772-L776 HydrophobicContact CG-CD1 4.38Å; K772-L776 WeakPolarHBondContact O-CB 3.46Å; K772-L776 WeakPolarHBondContact O-CG 3.16Å; K772-L776 PolarHBondContact O-N 3.4Å; I774-L776 VanDerWaalsContact C-N 3.31Å; I774-L776 PolarHBondContact O-N 3.35Å; L776-I778 VanDerWaalsContact C-N 3.31Å; L776-I778 PolarHBondContact O-N 3.1Å; L776-C779 PolarHBondContact O-N 3.32Å; L776-M780 WeakPolarHBondContact O-CB 3.37Å; L776-M780 VanDerWaalsContact O-CG 3.27Å; L776-M780 WeakPolarHBondContact O-CG 3.35Å; L776-M780 PolarHBondContact O-N 2.58Å; L776-M801 HydrophobicContact CD1-CG 3.66Å; L776-M801 HydrophobicContact CD1-SD 4.01Å; L776-M801 HydrophobicContact CD2-CE 3.48Å; L776-M801 VanDerWaalsContact CD2-CE 3.48Å; L776-M801 HydrophobicContact CD2-CG 3.74Å; L776-M801 HydrophobicContact CD2-SD 3.88Å; L776-M801 HydrophobicContact CG-CE 3.9Å; L776-M801 HydrophobicContact CG-CG 3.89Å; L776-M801 HydrophobicContact CG-SD 3.74Å; L776-L805 HydrophobicContact CB-CD1 4.08Å; L776-L805 HydrophobicContact CD1-CD1 4.22Å; L776-L805 HydrophobicContact CD2-CD1 3.89Å; L776-L805 HydrophobicContact CG-CD1 4.31Å
777	Q	82.7	Confident	79.2	Confident	53 Å²	53	32.2 Å²	32.2	25%	0.248	17%	0.171	C	C	.	.	H	α-helix	trans	-63.7	-37.6	177.7	-171.4	175.3	-3.4	0	0	112.2	R723 S773 I774 F775 M780	R723-Q777 VanDerWaalsContact CZ-OE1 3.27Å; S773-Q777 WeakPolarHBondContact O-CB 3.2Å; S773-Q777 PolarHBondContact O-N 3.18Å; I774-Q777 WeakPolarHBondContact O-CA 3.36Å; I774-Q777 WeakPolarHBondContact O-CB 3.22Å; I774-Q777 PolarHBondContact O-N 3.5Å; F775-Q777 VanDerWaalsContact C-N 3.3Å; F775-Q777 PolarHBondContact O-N 3.14Å; Q777-M780 HydrophobicContact CB-CE 4.43Å
778	I	85.1	Confident	80.8	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-66.7	-53.7	174.5	-65	165.5	0	0	0	109.4	L698 L719 R723 L726 L749 I774 F775 L776 M780 K781 C782	L698-I778 HydrophobicContact CD1-CG2 4.5Å; L719-I778 HydrophobicContact CD2-CD1 3.66Å; R723-I778 HydrophobicContact CB-CG1 4.4Å; L726-I778 HydrophobicContact CD1-CB 4.28Å; L726-I778 HydrophobicContact CD1-CG1 4.35Å; L726-I778 HydrophobicContact CD1-CG2 3.76Å; L749-I778 HydrophobicContact CD1-CG2 4.2Å; L749-I778 HydrophobicContact CD2-CG2 4.17Å; I774-I778 HydrophobicContact CG2-CD1 3.99Å; I774-I778 WeakPolarHBondContact O-CG1 3.2Å; I774-I778 PolarHBondContact O-N 3.28Å; F775-I778 PolarHBondContact O-N 3.31Å; L776-I778 VanDerWaalsContact C-N 3.31Å; L776-I778 PolarHBondContact O-N 3.1Å; I778-M780 PolarHBondContact O-N 3.42Å; I778-M780 VanDerWaalsContact O-N 3.14Å; I778-K781 PolarHBondContact O-N 3.3Å; I778-C782 PolarHBondContact O-N 2.95Å; I778-C782 VanDerWaalsContact O-N 3.12Å; I778-C782 PolarHBondContact O-SG 2.7Å; I778-C782 VanDerWaalsContact O-SG 3.36Å
779	C	85.3	Confident	82.2	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.007	17%	0.169	C	C	.	.	H	α-helix	trans	-57.6	-33.9	-178.5	-62.3	0	0	0	0	113.2	W671 L749 F775 L776 K781 V785	W671-C779 HydrophobicContact CH2-CB 3.42Å; W671-C779 VanDerWaalsContact CH2-CB 3.42Å; W671-C779 HydrophobicContact CZ2-CB 3.67Å; W671-C779 HydrophobicContact CZ3-CB 4.38Å; L749-C779 WeakPolarHBondContact CD2-SG 2.91Å; F775-C779 VanDerWaalsContact CE2-SG 3.54Å; F775-C779 WeakPolarHBondContact CZ-SG 3.41Å; F775-C779 PolarHBondContact O-N 3.36Å; F775-C779 PolarHBondContact O-SG 3.14Å; L776-C779 PolarHBondContact O-N 3.32Å; C779-K781 VanDerWaalsContact C-N 3.28Å; C779-K781 PolarHBondContact O-N 3.28Å; C779-V785 HydrophobicContact CB-CG2 4.4Å
780	M	80.8	Confident	83.3	Confident	63 Å²	63	28.8 Å²	28.8	31%	0.31	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-23.5	176.1	-78.6	-169.7	-67	0	0	113.8	K669 L776 Q777 I778 L805	K669-M780 PolarHBondContact NZ-O 3.45Å; L776-M780 WeakPolarHBondContact O-CB 3.37Å; L776-M780 VanDerWaalsContact O-CG 3.27Å; L776-M780 WeakPolarHBondContact O-CG 3.35Å; L776-M780 PolarHBondContact O-N 2.58Å; Q777-M780 HydrophobicContact CB-CE 4.43Å; I778-M780 PolarHBondContact O-N 3.42Å; I778-M780 VanDerWaalsContact O-N 3.14Å; M780-L805 HydrophobicContact CE-CD1 3.88Å; M780-L805 HydrophobicContact CE-CD2 4.45Å; M780-L805 HydrophobicContact CG-CD1 4.05Å; M780-L805 HydrophobicContact CG-CD2 4.41Å; M780-L805 HydrophobicContact SD-CD1 3.48Å; M780-L805 WeakPolarHBondContact SD-CD1 3.32Å; M780-L805 HydrophobicContact SD-CD2 3.3Å; M780-L805 WeakPolarHBondContact SD-CD2 3.49Å; M780-L805 HydrophobicContact SD-CG 3.96Å
781	K	82.1	Confident	83.5	Confident	64 Å²	64	27.5 Å²	27.5	28%	0.278	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-27.2	-178.9	-73.6	-174.1	165.8	-162.6	0	112.8	L726 I778 C779	L726-K781 HydrophobicContact CB-CD 4.03Å; L726-K781 HydrophobicContact CD1-CB 4.38Å; L726-K781 PolarHBondContact O-NZ 3.27Å; I778-K781 PolarHBondContact O-N 3.3Å; C779-K781 VanDerWaalsContact C-N 3.28Å; C779-K781 PolarHBondContact O-N 3.28Å
782	C	83.2	Confident	83	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.007	15%	0.148	C	C	.	.	S	Bend	trans	-67	144.2	173.4	-58.2	0	0	0	0	111	Y747 L749 I778 V785	Y747-C782 WeakPolarHBondContact O-CA 3.34Å; Y747-C782 WeakPolarHBondContact O-CB 3.38Å; L749-C782 HydrophobicContact CB-CB 4.37Å; I778-C782 PolarHBondContact O-N 2.95Å; I778-C782 VanDerWaalsContact O-N 3.12Å; I778-C782 PolarHBondContact O-SG 2.7Å; I778-C782 VanDerWaalsContact O-SG 3.36Å; C782-V785 HydrophobicContact CB-CG2 4.29Å
783	T	78.8	Confident	82.7	Confident	20 Å²	20	30.5 Å²	30.5	12%	0.123	16%	0.162	C	C	.	.	S	Bend	trans	-70.4	-47.5	177.9	-57.5	0	0	0	0	110.1	W741 Y747	W741-T783 HydrophobicContact CZ3-CG2 4.2Å; Y747-T783 PolarHBondContact O-N 2.83Å
784	A	86.4	Confident	82.7	Confident	1 Å²	1	29 Å²	29	1%	0.008	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.3	179.5	0	0	0	0	0	111	L690 F691 G748 L749	L690-A784 HydrophobicContact CD1-CB 3.83Å; L690-A784 HydrophobicContact CD2-CB 3.99Å; L690-A784 HydrophobicContact CG-CB 3.61Å; F691-A784 HydrophobicContact CD1-CB 4.23Å; F691-A784 HydrophobicContact CE1-CB 3.83Å; G748-A784 WeakPolarHBondContact CA-O 3.43Å; L749-A784 PolarHBondContact N-O 3.27Å; L749-A784 VanDerWaalsContact N-O 3.11Å
785	V	92.4	Very high	82.8	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	131.2	177.3	-177.4	0	0	0	0	108.8	W671 V672 L749 C779 C782	W671-V785 CarbonylContact C-O 3.52Å; W671-V785 VanDerWaalsContact CA-O 3.3Å; W671-V785 WeakPolarHBondContact CA-O 3.19Å; W671-V785 HydrophobicContact CB-CB 4.49Å; W671-V785 HydrophobicContact CD2-CB 3.66Å; W671-V785 HydrophobicContact CD2-CG1 4.33Å; W671-V785 HydrophobicContact CD2-CG2 3.88Å; W671-V785 HydrophobicContact CE3-CB 4.05Å; W671-V785 HydrophobicContact CE3-CG1 4.22Å; W671-V785 HydrophobicContact CE3-CG2 4.41Å; W671-V785 HydrophobicContact CG-CB 3.82Å; W671-V785 HydrophobicContact CG-CG2 4.29Å; W671-V785 HydrophobicContact CH2-CG2 4.44Å; W671-V785 HydrophobicContact CZ2-CB 4.49Å; W671-V785 HydrophobicContact CZ2-CG2 3.83Å; V672-V785 PolarHBondContact N-O 3.42Å; L749-V785 HydrophobicContact CB-CG1 4.25Å; L749-V785 HydrophobicContact CB-CG2 4.2Å; L749-V785 HydrophobicContact CD2-CG1 4.19Å; L749-V785 HydrophobicContact CG-CG1 4.45Å; L749-V785 CarbonylContact O-C 3.58Å; L749-V785 WeakPolarHBondContact O-CA 3.49Å; C779-V785 HydrophobicContact CB-CG2 4.4Å; C782-V785 HydrophobicContact CB-CG2 4.29Å
786	L	93.7	Very high	82.6	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119.6	174.9	171.5	62	0	0	0	109.3	V672 T674 A681 K682 F691 L749 I750 I751	V672-L786 HydrophobicContact CB-CD1 3.82Å; V672-L786 HydrophobicContact CG1-CD1 3.84Å; V672-L786 WeakPolarHBondContact O-CA 3.2Å; T674-L786 HydrophobicContact CG2-CD1 4.22Å; A681-L786 HydrophobicContact CB-CD1 3.82Å; A681-L786 HydrophobicContact CB-CD2 3.89Å; A681-L786 HydrophobicContact CB-CG 4.38Å; K682-L786 HydrophobicContact CB-CD2 4.4Å; F691-L786 HydrophobicContact CE2-CB 4.34Å; F691-L786 HydrophobicContact CE2-CD2 4.27Å; F691-L786 HydrophobicContact CZ-CB 4.03Å; L749-L786 PolarHBondContact O-N 3.37Å; I750-L786 CarbonylContact C-O 3.59Å; I750-L786 VanDerWaalsContact CA-O 3.31Å; I750-L786 WeakPolarHBondContact CA-O 3.46Å; I750-L786 HydrophobicContact CD1-CD2 4.4Å; I750-L786 HydrophobicContact CG1-CB 4.33Å; I750-L786 HydrophobicContact CG1-CD2 4.38Å; I750-L786 HydrophobicContact CG2-CD2 4.39Å; I751-L786 PolarHBondContact N-O 2.69Å
787	C	91.7	Very high	82.8	Confident	1 Å²	1	32 Å²	32	1%	0.007	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	118.9	171	-57	0	0	0	0	108.7	V672 L673 T674 I751 M790	V672-C787 PolarHBondContact O-N 3.24Å; L673-C787 HydrophobicContact CD2-CB 3.52Å; L673-C787 WeakPolarHBondContact CD2-SG 3.09Å; T674-C787 PolarHBondContact N-O 3.36Å; I751-C787 HydrophobicContact CG2-CB 3.99Å; I751-C787 WeakPolarHBondContact CG2-SG 3.11Å; I751-C787 CarbonylContact O-C 3.58Å; I751-C787 WeakPolarHBondContact O-CA 3.3Å; C787-M790 HydrophobicContact CB-CE 4.46Å; C787-M790 HydrophobicContact CB-CG 3.65Å; C787-M790 HydrophobicContact CB-SD 3.68Å
788	C	85.9	Confident	83.1	Confident	2 Å²	2	29.5 Å²	29.5	1%	0.014	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	160.3	-179.1	67.9	0	0	0	0	111.7	T674 M678 I751 D752 G753 M790	T674-C788 CarbonylContact O-C 3.6Å; T674-C788 WeakPolarHBondContact O-CA 3.27Å; M678-C788 HydrophobicContact CB-CB 4.35Å; I751-C788 PolarHBondContact O-N 3.04Å; I751-C788 PolarHBondContact O-SG 3.12Å; I751-C788 VanDerWaalsContact O-SG 3.35Å; D752-C788 WeakPolarHBondContact CA-O 3.4Å; G753-C788 PolarHBondContact N-O 3.25Å; G753-C788 VanDerWaalsContact N-O 3.17Å; C788-M790 PolarHBondContact O-N 2.63Å
789	R	79.4	Confident	83.4	Confident	112 Å²	112	29.5 Å²	29.5	42%	0.423	15%	0.152	S	C	.	.	S	Bend	trans	50.5	40.1	-178.1	-55.8	-174.4	-180	-138.7	1.7	113.5	T674 D676	T674-R789 PolarHBondContact O-N 3.44Å; D676-R789 PolarHBondContact O-N 2.88Å; D676-R789 VanDerWaalsContact O-N 3.11Å
790	M	76.8	Confident	83.6	Confident	10 Å²	10	35.1 Å²	35.1	5%	0.049	17%	0.173	C	C	.	.			trans	-82.7	131.3	-179.5	-67.8	-78.5	88.3	0	0	112.2	T674 G753 L756 C787 C788 Q794 K795	T674-M790 WeakPolarHBondContact O-CB 3.21Å; T674-M790 PolarHBondContact O-N 3.17Å; G753-M790 VanDerWaalsContact N-CE 3.34Å; L756-M790 HydrophobicContact CB-CE 4.18Å; L756-M790 HydrophobicContact CD2-CE 3.61Å; L756-M790 HydrophobicContact CD2-SD 3.51Å; L756-M790 VanDerWaalsContact CD2-SD 3.51Å; C787-M790 HydrophobicContact CB-CE 4.46Å; C787-M790 HydrophobicContact CB-CG 3.65Å; C787-M790 HydrophobicContact CB-SD 3.68Å; C788-M790 PolarHBondContact O-N 2.63Å; M790-Q794 HydrophobicContact SD-CB 4.2Å; M790-K795 HydrophobicContact CB-CG 3.91Å
791	A	73.4	Confident	84	Confident	46 Å²	46	32.5 Å²	32.5	38%	0.38	16%	0.16	S	C	.	.			trans	-75.5	152.7	164.1	0	0	0	0	0	111.3	L793 Q794 K795	A791-L793 VanDerWaalsContact C-N 3.27Å; A791-L793 PolarHBondContact O-N 3.36Å; A791-L793 VanDerWaalsContact O-N 3.16Å; A791-Q794 HydrophobicContact CB-CG 4.11Å; A791-Q794 WeakPolarHBondContact O-CA 3.27Å; A791-Q794 WeakPolarHBondContact O-CB 3.3Å; A791-Q794 PolarHBondContact O-N 3.13Å; A791-K795 PolarHBondContact O-N 3.22Å; A791-K795 VanDerWaalsContact O-N 3.1Å
792	P	69.6	Low	84.3	Confident	48 Å²	48	29.6 Å²	29.6	31%	0.312	15%	0.148	S	C	.	.	H	α-helix	trans	-52.6	-39.5	179.6	-31.5	37.7	0	0	0	114.5	K795 A796 N819 S822	P792-K795 PolarHBondContact O-N 3.28Å; P792-A796 PolarHBondContact O-N 3.49Å; P792-N819 WeakPolarHBondContact CB-O 3.27Å; P792-N819 HydrophobicContact CG-CB 4.08Å; P792-S822 PolarHBondContact O-OG 2.9Å
793	L	74.4	Confident	84.6	Confident	132 Å²	132	32 Å²	32	69%	0.691	16%	0.158	S	C	*	.	H	α-helix	trans	-69.4	-33.7	177.3	-70.2	172.6	0	0	0	112.4	A791 A796 Q797	A791-L793 VanDerWaalsContact C-N 3.27Å; A791-L793 PolarHBondContact O-N 3.36Å; A791-L793 VanDerWaalsContact O-N 3.16Å; L793-A796 PolarHBondContact O-N 2.78Å; L793-Q797 WeakPolarHBondContact O-CG 3.39Å; L793-Q797 PolarHBondContact O-N 3.14Å
794	Q	79.6	Confident	85	Confident	30 Å²	30	36.7 Å²	36.7	14%	0.14	18%	0.183	C	C	.	.	H	α-helix	trans	-68.9	-37.6	177.1	-65.5	177.6	-37.7	0	0	111.1	G753 L756 M790 A791 A796 Q797 I798	G753-Q794 PolarHBondContact O-NE2 2.88Å; L756-Q794 HydrophobicContact CD2-CB 4.4Å; M790-Q794 HydrophobicContact SD-CB 4.2Å; A791-Q794 HydrophobicContact CB-CG 4.11Å; A791-Q794 WeakPolarHBondContact O-CA 3.27Å; A791-Q794 WeakPolarHBondContact O-CB 3.3Å; A791-Q794 PolarHBondContact O-N 3.13Å; Q794-A796 VanDerWaalsContact C-N 3.34Å; Q794-A796 PolarHBondContact O-N 3.19Å; Q794-Q797 WeakPolarHBondContact O-CB 3.32Å; Q794-Q797 PolarHBondContact O-N 2.81Å; Q794-Q797 VanDerWaalsContact O-N 3.13Å; Q794-I798 PolarHBondContact O-N 3.46Å
795	K	85.5	Confident	84.7	Confident	5 Å²	5	38 Å²	38	2%	0.022	19%	0.19	C	C	.	.	H	α-helix	trans	-55.5	-49.4	172.3	-60.2	-168.6	-173.7	-171.2	0	111	D409 L673 M790 A791 P792 Q797 I798 V799 D820 M823	D409-K795 IonicContact OD1-NZ 2.7Å; D409-K795 PolarHBondContact OD1-NZ 2.71Å; L673-K795 HydrophobicContact CB-CD 4.29Å; L673-K795 HydrophobicContact CB-CG 4.25Å; L673-K795 HydrophobicContact CD1-CB 4.38Å; L673-K795 WeakPolarHBondContact O-CE 3.4Å; L673-K795 PolarHBondContact O-NZ 2.88Å; M790-K795 HydrophobicContact CB-CG 3.91Å; A791-K795 PolarHBondContact O-N 3.22Å; A791-K795 VanDerWaalsContact O-N 3.1Å; P792-K795 PolarHBondContact O-N 3.28Å; K795-Q797 VanDerWaalsContact C-N 3.32Å; K795-Q797 PolarHBondContact O-N 3.17Å; K795-I798 PolarHBondContact O-N 2.8Å; K795-V799 WeakPolarHBondContact O-CG2 3.3Å; K795-V799 PolarHBondContact O-N 2.97Å; K795-V799 VanDerWaalsContact O-N 3.14Å; K795-D820 WeakPolarHBondContact CD-OD1 3.45Å; K795-D820 IonicContact NZ-OD1 3.17Å; K795-D820 PolarHBondContact NZ-OD1 3.47Å; K795-M823 HydrophobicContact CB-CB 4.2Å; K795-M823 HydrophobicContact CB-CG 4.42Å; K795-M823 HydrophobicContact CB-SD 4.42Å
796	A	84.6	Confident	83.5	Confident	10 Å²	10	47.9 Å²	47.9	8%	0.083	23%	0.232	C	C	.	.	H	α-helix	trans	-62.9	-35.6	177	0	0	0	0	0	113.1	P792 L793 Q794 V799 R800 E826	P792-A796 PolarHBondContact O-N 3.49Å; L793-A796 PolarHBondContact O-N 2.78Å; Q794-A796 VanDerWaalsContact C-N 3.34Å; Q794-A796 PolarHBondContact O-N 3.19Å; A796-V799 PolarHBondContact O-N 3.15Å; A796-R800 WeakPolarHBondContact O-CB 3.32Å; A796-R800 PolarHBondContact O-N 3.42Å; A796-E826 HydrophobicContact CB-CB 4.35Å
797	Q	86.9	Confident	82.2	Confident	72 Å²	72	51.4 Å²	51.4	34%	0.336	27%	0.269	S	S	.	.	H	α-helix	trans	-63.6	-41.5	175.3	-72.2	170.7	-7.8	0	0	112.3	L760 L793 Q794 K795 R800 M801	L760-Q797 HydrophobicContact CD1-CB 4.04Å; L793-Q797 WeakPolarHBondContact O-CG 3.39Å; L793-Q797 PolarHBondContact O-N 3.14Å; Q794-Q797 WeakPolarHBondContact O-CB 3.32Å; Q794-Q797 PolarHBondContact O-N 2.81Å; Q794-Q797 VanDerWaalsContact O-N 3.13Å; K795-Q797 VanDerWaalsContact C-N 3.32Å; K795-Q797 PolarHBondContact O-N 3.17Å; Q797-R800 PolarHBondContact O-N 3.21Å; Q797-M801 WeakPolarHBondContact O-CB 3.08Å; Q797-M801 PolarHBondContact O-N 3.2Å
798	I	90.1	Very high	81.6	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.8	-49.4	173.5	-69.3	-64.2	0	0	0	110.6	F407 W671 L673 L756 F775 Q794 K795 R800 M801 V802	F407-I798 HydrophobicContact CE1-CG2 4.08Å; W671-I798 HydrophobicContact CE3-CG2 4.1Å; W671-I798 HydrophobicContact CZ3-CG2 3.95Å; L673-I798 HydrophobicContact CD1-CB 4.32Å; L673-I798 HydrophobicContact CD1-CG2 4.08Å; L673-I798 HydrophobicContact CD2-CG2 4.19Å; L756-I798 HydrophobicContact CD1-CD1 3.53Å; L756-I798 HydrophobicContact CD2-CD1 3.58Å; L756-I798 HydrophobicContact CD2-CG1 3.73Å; L756-I798 HydrophobicContact CG-CD1 4.19Å; F775-I798 HydrophobicContact CE1-CD1 4.34Å; Q794-I798 PolarHBondContact O-N 3.46Å; K795-I798 PolarHBondContact O-N 2.8Å; I798-R800 VanDerWaalsContact C-N 3.34Å; I798-R800 PolarHBondContact O-N 3.48Å; I798-M801 HydrophobicContact CD1-CE 3.94Å; I798-M801 WeakPolarHBondContact O-CB 3.13Å; I798-M801 PolarHBondContact O-N 3.27Å; I798-M801 VanDerWaalsContact O-N 3.09Å; I798-V802 PolarHBondContact O-N 3.41Å
799	V	91.1	Very high	81.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-58.1	-47.8	178.7	177.3	0	0	0	0	110.9	F407 K795 A796 M801 V802 K803 M823 E826	F407-V799 HydrophobicContact CD2-CB 4.36Å; F407-V799 HydrophobicContact CD2-CG1 4.28Å; F407-V799 HydrophobicContact CD2-CG2 3.53Å; F407-V799 HydrophobicContact CE2-CB 4.13Å; F407-V799 HydrophobicContact CE2-CG1 4.03Å; F407-V799 HydrophobicContact CE2-CG2 3.74Å; F407-V799 HydrophobicContact CG-CG2 3.98Å; F407-V799 HydrophobicContact CZ-CG2 4.4Å; K795-V799 WeakPolarHBondContact O-CG2 3.3Å; K795-V799 PolarHBondContact O-N 2.97Å; K795-V799 VanDerWaalsContact O-N 3.14Å; A796-V799 PolarHBondContact O-N 3.15Å; V799-M801 VanDerWaalsContact C-N 3.26Å; V799-M801 PolarHBondContact O-N 2.95Å; V799-V802 PolarHBondContact O-N 3.31Å; V799-K803 WeakPolarHBondContact O-CB 3.46Å; V799-K803 PolarHBondContact O-N 2.84Å; V799-M823 HydrophobicContact CG2-CG 3.49Å; V799-M823 VanDerWaalsContact CG2-CG 3.49Å; V799-M823 HydrophobicContact CG2-SD 4.34Å; V799-E826 HydrophobicContact CB-CG 4.35Å; V799-E826 HydrophobicContact CG1-CB 4.42Å; V799-E826 HydrophobicContact CG1-CG 4.19Å
800	R	89.2	Confident	82.3	Confident	120 Å²	120	50.8 Å²	50.8	45%	0.453	28%	0.28	S	S	.	.	H	α-helix	trans	-61.4	-37.4	177.6	-172.2	179.3	-65.7	157.2	3.5	111.7	A796 Q797 I798 N804 E826	A796-R800 WeakPolarHBondContact O-CB 3.32Å; A796-R800 PolarHBondContact O-N 3.42Å; Q797-R800 PolarHBondContact O-N 3.21Å; I798-R800 VanDerWaalsContact C-N 3.34Å; I798-R800 PolarHBondContact O-N 3.48Å; R800-N804 WeakPolarHBondContact CG-ND2 3.31Å; R800-N804 WeakPolarHBondContact O-CB 3.25Å; R800-N804 VanDerWaalsContact O-CG 3.25Å; R800-N804 PolarHBondContact O-N 3.33Å; R800-N804 VanDerWaalsContact O-N 3.08Å; R800-N804 PolarHBondContact O-ND2 3.38Å; R800-N804 VanDerWaalsContact O-ND2 3.15Å; R800-E826 HydrophobicContact CB-CG 4Å; R800-E826 IonicContact CZ-OE2 2.88Å; R800-E826 IonicContact NE-OE1 3.55Å; R800-E826 PolarHBondContact NE-OE1 3.23Å; R800-E826 IonicContact NE-OE2 2.78Å; R800-E826 PolarHBondContact NE-OE2 3.32Å; R800-E826 IonicContact NH2-OE2 3.49Å; R800-E826 PolarHBondContact NH2-OE2 3.44Å
801	M	88.6	Confident	83.1	Confident	7 Å²	7	50.3 Å²	50.3	3%	0.034	28%	0.278	C	S	.	.	H	α-helix	trans	-65.9	-45.2	179.6	-171.3	-174	62.5	0	0	111.7	L760 K772 F775 L776 Q797 I798 V799	L760-M801 HydrophobicContact CD2-SD 4.04Å; K772-M801 HydrophobicContact CD-SD 4.49Å; K772-M801 HydrophobicContact CG-SD 3.93Å; F775-M801 HydrophobicContact CD1-CE 3.73Å; F775-M801 HydrophobicContact CD1-SD 4.19Å; F775-M801 HydrophobicContact CE1-CE 3.49Å; F775-M801 VanDerWaalsContact CE1-CE 3.49Å; F775-M801 HydrophobicContact CE1-SD 4.42Å; L776-M801 HydrophobicContact CD1-CG 3.66Å; L776-M801 HydrophobicContact CD1-SD 4.01Å; L776-M801 HydrophobicContact CD2-CE 3.48Å; L776-M801 VanDerWaalsContact CD2-CE 3.48Å; L776-M801 HydrophobicContact CD2-CG 3.74Å; L776-M801 HydrophobicContact CD2-SD 3.88Å; L776-M801 HydrophobicContact CG-CE 3.9Å; L776-M801 HydrophobicContact CG-CG 3.89Å; L776-M801 HydrophobicContact CG-SD 3.74Å; Q797-M801 WeakPolarHBondContact O-CB 3.08Å; Q797-M801 PolarHBondContact O-N 3.2Å; I798-M801 HydrophobicContact CD1-CE 3.94Å; I798-M801 WeakPolarHBondContact O-CB 3.13Å; I798-M801 PolarHBondContact O-N 3.27Å; I798-M801 VanDerWaalsContact O-N 3.09Å; V799-M801 VanDerWaalsContact C-N 3.26Å; V799-M801 PolarHBondContact O-N 2.95Å
802	V	89.6	Confident	84.1	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.024	26%	0.26	C	S	.	.	H	α-helix	trans	-69.5	-42.2	176.8	176.1	0	0	0	0	111.4	Y405 F407 W671 I798 V799 N804 L805 P809 T811	Y405-V802 HydrophobicContact CD1-CG1 4.14Å; Y405-V802 HydrophobicContact CD2-CG1 4Å; Y405-V802 HydrophobicContact CE1-CG1 4.33Å; Y405-V802 HydrophobicContact CE2-CG1 4.19Å; Y405-V802 HydrophobicContact CG-CG1 3.98Å; F407-V802 HydrophobicContact CE1-CG2 4.38Å; F407-V802 HydrophobicContact CZ-CB 3.88Å; F407-V802 HydrophobicContact CZ-CG1 4.06Å; F407-V802 HydrophobicContact CZ-CG2 3.89Å; W671-V802 HydrophobicContact CH2-CG2 3.6Å; W671-V802 HydrophobicContact CZ3-CG2 3.65Å; I798-V802 PolarHBondContact O-N 3.41Å; V799-V802 PolarHBondContact O-N 3.31Å; V802-N804 VanDerWaalsContact C-N 3.3Å; V802-N804 PolarHBondContact O-N 3.14Å; V802-L805 WeakPolarHBondContact O-CB 3.47Å; V802-L805 PolarHBondContact O-N 3.37Å; V802-L805 VanDerWaalsContact O-N 3.1Å; V802-P809 HydrophobicContact CG1-CG 4.14Å; V802-P809 WeakPolarHBondContact O-CG 3.23Å; V802-T811 HydrophobicContact CB-CG2 4.48Å; V802-T811 HydrophobicContact CG1-CG2 4.02Å
803	K	88.8	Confident	85.3	Confident	51 Å²	51	45.9 Å²	45.9	22%	0.222	25%	0.245	C	C	.	.	H	α-helix	trans	-59.6	-36.6	177.8	165.1	172.2	157.4	-160.9	0	113.5	V799 L805 T811 E826	V799-K803 WeakPolarHBondContact O-CB 3.46Å; V799-K803 PolarHBondContact O-N 2.84Å; K803-L805 VanDerWaalsContact C-N 3.27Å; K803-L805 PolarHBondContact O-N 3.37Å; K803-T811 HydrophobicContact CB-CG2 4.37Å; K803-E826 PolarHBondContact NZ-O 3.46Å; K803-E826 IonicContact NZ-OE1 3.04Å; K803-E826 PolarHBondContact NZ-OE1 2.88Å
804	N	86.4	Confident	86.2	Confident	118 Å²	118	39.6 Å²	39.6	63%	0.631	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	4.7	179.4	-68.8	-26.4	0	0	0	113.6	R800 V802	R800-N804 WeakPolarHBondContact CG-ND2 3.31Å; R800-N804 WeakPolarHBondContact O-CB 3.25Å; R800-N804 VanDerWaalsContact O-CG 3.25Å; R800-N804 PolarHBondContact O-N 3.33Å; R800-N804 VanDerWaalsContact O-N 3.08Å; R800-N804 PolarHBondContact O-ND2 3.38Å; R800-N804 VanDerWaalsContact O-ND2 3.15Å; V802-N804 VanDerWaalsContact C-N 3.3Å; V802-N804 PolarHBondContact O-N 3.14Å
805	L	81.7	Confident	86.6	Confident	30 Å²	30	38.1 Å²	38.1	16%	0.157	21%	0.205	C	C	.	.	S	Bend	trans	-67.8	154.5	178.1	-168.6	122.1	0	0	0	111.8	L776 M780 V802 K803 G807 S808	L776-L805 HydrophobicContact CB-CD1 4.08Å; L776-L805 HydrophobicContact CD1-CD1 4.22Å; L776-L805 HydrophobicContact CD2-CD1 3.89Å; L776-L805 HydrophobicContact CG-CD1 4.31Å; M780-L805 HydrophobicContact CE-CD1 3.88Å; M780-L805 HydrophobicContact CE-CD2 4.45Å; M780-L805 HydrophobicContact CG-CD1 4.05Å; M780-L805 HydrophobicContact CG-CD2 4.41Å; M780-L805 HydrophobicContact SD-CD1 3.48Å; M780-L805 WeakPolarHBondContact SD-CD1 3.32Å; M780-L805 HydrophobicContact SD-CD2 3.3Å; M780-L805 WeakPolarHBondContact SD-CD2 3.49Å; M780-L805 HydrophobicContact SD-CG 3.96Å; V802-L805 WeakPolarHBondContact O-CB 3.47Å; V802-L805 PolarHBondContact O-N 3.37Å; V802-L805 VanDerWaalsContact O-N 3.1Å; K803-L805 VanDerWaalsContact C-N 3.27Å; K803-L805 PolarHBondContact O-N 3.37Å; L805-G807 PolarHBondContact O-N 3.44Å; L805-G807 VanDerWaalsContact O-N 3.08Å; L805-S808 PolarHBondContact O-N 3.25Å
806	K	66.1	Low	86.3	Confident	208 Å²	208	39.3 Å²	39.3	90%	0.904	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	110.4	-179.7	-158.6	175.6	-173.7	177.2	0	110.1
807	G	67.2	Low	85.5	Confident	74 Å²	74	39 Å²	39	76%	0.763	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	117.3	-13.7	-173	0	0	0	0	0	113.8	L805	L805-G807 PolarHBondContact O-N 3.44Å; L805-G807 VanDerWaalsContact O-N 3.08Å
808	S	79.2	Confident	84.3	Confident	73 Å²	73	36.6 Å²	36.6	51%	0.51	20%	0.202	S	C	.	.			trans	47.1	61.8	178.4	-63.3	0	0	0	0	113	L805	L805-S808 PolarHBondContact O-N 3.25Å
809	P	87.2	Confident	83.3	Confident	14 Å²	14	39.4 Å²	39.4	9%	0.091	22%	0.217	C	C	.	.			trans	-60.8	146.5	178.7	29.1	-35.1	0	0	0	110.3	D404 Y405 V802 H828	D404-P809 HydrophobicContact CB-CB 4.21Å; Y405-P809 HydrophobicContact CD2-CB 3.76Å; Y405-P809 HydrophobicContact CD2-CG 4.13Å; Y405-P809 HydrophobicContact CE2-CB 3.74Å; Y405-P809 HydrophobicContact CE2-CG 3.96Å; V802-P809 HydrophobicContact CG1-CG 4.14Å; V802-P809 WeakPolarHBondContact O-CG 3.23Å; P809-H828 PolarHBondContact O-CE1 2.95Å
810	I	91.6	Very high	82.5	Confident	15 Å²	15	39.4 Å²	39.4	8%	0.077	22%	0.217	C	C	.	.			trans	-83.9	125.3	-177.3	-64.3	162	0	0	0	108.2	A283 E399 Q402 V403 D404 Y405 H828	A283-I810 HydrophobicContact CB-CD1 3.9Å; E399-I810 HydrophobicContact CG-CG2 3.94Å; E399-I810 WeakPolarHBondContact OE1-CD1 3.4Å; E399-I810 WeakPolarHBondContact OE1-CG1 3.34Å; Q402-I810 HydrophobicContact CB-CD1 3.38Å; Q402-I810 HydrophobicContact CG-CD1 4.43Å; Q402-I810 WeakPolarHBondContact O-CB 3.42Å; Q402-I810 WeakPolarHBondContact O-CD1 3.34Å; V403-I810 HydrophobicContact CG2-CG2 4.38Å; D404-I810 PolarHBondContact N-O 2.89Å; D404-I810 PolarHBondContact OD2-N 3.5Å; Y405-I810 PolarHBondContact N-O 2.92Å; Y405-I810 VanDerWaalsContact N-O 3.14Å; I810-H828 HydrophobicContact CG2-CB 4.07Å
811	T	93.6	Very high	81.8	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.3	-172.2	53.5	0	0	0	0	109.9	F407 V802 K803 H828 V829	F407-T811 HydrophobicContact CE2-CG2 3.67Å; F407-T811 HydrophobicContact CZ-CG2 4.28Å; V802-T811 HydrophobicContact CB-CG2 4.48Å; V802-T811 HydrophobicContact CG1-CG2 4.02Å; K803-T811 HydrophobicContact CB-CG2 4.37Å; T811-H828 PolarHBondContact N-ND1 2.91Å; T811-H828 WeakPolarHBondContact O-CB 3.37Å; T811-H828 PolarHBondContact O-N 3.2Å; T811-H828 PolarHBondContact OG1-N 3.12Å; T811-H828 PolarHBondContact OG1-ND1 3.05Å; T811-V829 PolarHBondContact O-N 3.37Å
812	L	95.4	Very high	81.4	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	140.4	170	-176.3	147.1	0	0	0	109.1	L400 V403 Y405 V406 F407 V829 I831 L852 L856	L400-L812 HydrophobicContact CD2-CD1 4.49Å; V403-L812 HydrophobicContact CB-CB 4.38Å; V403-L812 HydrophobicContact CG1-CB 3.51Å; V403-L812 HydrophobicContact CG1-CD1 4.42Å; V403-L812 HydrophobicContact CG2-CB 3.89Å; V403-L812 HydrophobicContact CG2-CD1 3.79Å; Y405-L812 PolarHBondContact O-N 3.35Å; V406-L812 CarbonylContact C-O 3.59Å; V406-L812 WeakPolarHBondContact CA-O 3.5Å; V406-L812 HydrophobicContact CG1-CD2 3.95Å; V406-L812 HydrophobicContact CG2-CD2 4.46Å; F407-L812 WeakPolarHBondContact CD2-O 3.45Å; F407-L812 PolarHBondContact N-O 3.36Å; L812-V829 VanDerWaalsContact CA-O 3.3Å; L812-V829 WeakPolarHBondContact CA-O 3.25Å; L812-V829 HydrophobicContact CD1-CB 4.46Å; L812-V829 HydrophobicContact CD1-CG1 4.38Å; L812-I831 HydrophobicContact CD1-CD1 3.71Å; L812-I831 HydrophobicContact CD1-CG1 4.28Å; L812-I831 HydrophobicContact CD2-CD1 4.12Å; L812-I831 HydrophobicContact CD2-CG1 4.43Å; L812-I831 HydrophobicContact CG-CD1 4.24Å; L812-I831 HydrophobicContact CG-CG1 4.42Å; L812-L852 HydrophobicContact CD2-CD1 4.47Å; L812-L856 HydrophobicContact CD1-CD1 4.06Å; L812-L856 HydrophobicContact CD1-CD2 3.54Å; L812-L856 HydrophobicContact CD1-CG 4.37Å
813	S	94.1	Very high	81.2	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.7	169.6	50.5	0	0	0	0	111.2	F407 M823 I824 S827 V829 I831	F407-S813 CarbonylContact O-C 3.58Å; F407-S813 VanDerWaalsContact O-CA 3.25Å; F407-S813 WeakPolarHBondContact O-CA 3.46Å; S813-M823 PolarHBondContact OG-O 2.85Å; S813-I824 VanDerWaalsContact OG-CA 3.26Å; S813-I824 WeakPolarHBondContact OG-CA 3.35Å; S813-S827 WeakPolarHBondContact OG-CB 3.36Å; S813-S827 PolarHBondContact OG-OG 3.47Å; S813-V829 PolarHBondContact N-O 3.36Å; S813-I831 PolarHBondContact O-N 3.37Å
814	I	93.8	Very high	81	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.8	175.6	-175.6	167.4	0	0	0	109.8	F407 D409 M823 I831 F849 L852	F407-I814 PolarHBondContact O-N 3.43Å; D409-I814 PolarHBondContact N-O 3.07Å; I814-M823 WeakPolarHBondContact O-CE 3.46Å; I814-I831 WeakPolarHBondContact CA-O 3.19Å; I814-I831 HydrophobicContact CB-CB 4.22Å; I814-I831 HydrophobicContact CD1-CB 4.5Å; I814-I831 HydrophobicContact CD1-CG2 3.95Å; I814-I831 HydrophobicContact CG1-CB 4.21Å; I814-I831 HydrophobicContact CG1-CG2 4.04Å; I814-F849 HydrophobicContact CD1-CD2 3.89Å; I814-F849 HydrophobicContact CD1-CE2 4.27Å; I814-F849 HydrophobicContact CG2-CE2 4.18Å; I814-L852 HydrophobicContact CD1-CD2 4.26Å
815	G	87.5	Confident	80.8	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	158.3	-177.5	0	0	0	0	0	111.2	D820 I831 G832 K833	G815-D820 WeakPolarHBondContact CA-OD2 3.37Å; G815-I831 PolarHBondContact N-O 2.96Å; G815-G832 WeakPolarHBondContact O-CA 3.48Å; G815-K833 PolarHBondContact O-N 3.45Å
816	D	78.7	Confident	81.1	Confident	29 Å²	29	30.3 Å²	30.3	16%	0.155	18%	0.182	C	C	.	.	S	Bend	trans	-106.9	-39.7	-178.1	66.4	-36.2	0	0	0	112	G412 T413 K833 E834 A838	G412-D816 WeakPolarHBondContact CA-OD2 3.37Å; G412-D816 WeakPolarHBondContact O-CB 2.86Å; T413-D816 HydrophobicContact CG2-CB 4.03Å; D816-K833 WeakPolarHBondContact CA-O 3.1Å; D816-K833 HydrophobicContact CB-CB 4.29Å; D816-E834 VanDerWaalsContact O-O 3.12Å; D816-A838 WeakPolarHBondContact O-CB 3.25Å
817	G	69.1	Low	82.3	Confident	5 Å²	5	20.6 Å²	20.6	5%	0.052	14%	0.14	C	C	.	.	S	Bend	trans	-101.9	176.6	-174.6	0	0	0	0	0	115.8	D179 N819 D820	D179-G817 CarbonylContact O-C 3.41Å; D179-G817 VanDerWaalsContact O-CA 3.29Å; D179-G817 WeakPolarHBondContact O-CA 3.44Å; G817-N819 PolarHBondContact O-N 3.28Å; G817-D820 PolarHBondContact O-N 3.15Å; G817-D820 VanDerWaalsContact O-N 3.15Å
818	A	62.3	Low	83.4	Confident	20 Å²	20	18.3 Å²	18.3	17%	0.165	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-69.6	-20.3	173.1	0	0	0	0	0	113.5	L178 D179 D820 V821	L178-A818 VanDerWaalsContact O-CB 3.28Å; L178-A818 WeakPolarHBondContact O-CB 3.25Å; D179-A818 VanDerWaalsContact CA-CB 3.45Å; D179-A818 HydrophobicContact CB-CB 4.09Å; D179-A818 PolarHBondContact O-N 3.13Å; A818-D820 PolarHBondContact O-N 3.38Å; A818-D820 VanDerWaalsContact O-N 3.09Å; A818-V821 HydrophobicContact CB-CG2 4.38Å; A818-V821 PolarHBondContact O-N 2.66Å; A818-V821 VanDerWaalsContact O-N 3.13Å
819	N	67.7	Low	84.1	Confident	59 Å²	59	14.8 Å²	14.8	32%	0.316	9%	0.085	S	C	.	.	G	3₁₀ helix	trans	-57.2	-22.8	171	-68.5	-28.4	0	0	0	112	P792 G817	P792-N819 WeakPolarHBondContact CB-O 3.27Å; P792-N819 HydrophobicContact CG-CB 4.08Å; G817-N819 PolarHBondContact O-N 3.28Å
820	D	75.2	Confident	84.3	Confident	1 Å²	1	14.1 Å²	14.1	1%	0.005	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-105	-9.2	-179.5	-61	-38.2	0	0	0	113.8	D409 K795 G815 G817 A818 S822 M823 I824	D409-D820 WeakPolarHBondContact CB-OD2 3.28Å; K795-D820 WeakPolarHBondContact CD-OD1 3.45Å; K795-D820 IonicContact NZ-OD1 3.17Å; K795-D820 PolarHBondContact NZ-OD1 3.47Å; G815-D820 WeakPolarHBondContact CA-OD2 3.37Å; G817-D820 PolarHBondContact O-N 3.15Å; G817-D820 VanDerWaalsContact O-N 3.15Å; A818-D820 PolarHBondContact O-N 3.38Å; A818-D820 VanDerWaalsContact O-N 3.09Å; D820-S822 PolarHBondContact O-N 3.02Å; D820-M823 HydrophobicContact CB-CE 3.97Å; D820-M823 CarbonylContact O-C 3.55Å; D820-M823 WeakPolarHBondContact O-CA 3.23Å; D820-M823 VanDerWaalsContact O-CB 3.27Å; D820-M823 WeakPolarHBondContact O-CB 3.38Å; D820-M823 PolarHBondContact O-N 3.34Å; D820-I824 HydrophobicContact CB-CD1 4.29Å; D820-I824 VanDerWaalsContact O-CG1 3.31Å; D820-I824 WeakPolarHBondContact O-CG1 3.44Å; D820-I824 PolarHBondContact O-N 3.13Å
821	V	74.4	Confident	84.3	Confident	15 Å²	15	13.4 Å²	13.4	9%	0.091	8%	0.077	C	C	.	.	H	α-helix	trans	-58.8	-38.5	-179.8	168	0	0	0	0	111.2	A818 M823 I824 L825 N841	A818-V821 HydrophobicContact CB-CG2 4.38Å; A818-V821 PolarHBondContact O-N 2.66Å; A818-V821 VanDerWaalsContact O-N 3.13Å; V821-M823 VanDerWaalsContact C-N 3.28Å; V821-M823 PolarHBondContact O-N 3.1Å; V821-I824 PolarHBondContact O-N 3.34Å; V821-L825 HydrophobicContact CG1-CD1 3.75Å; V821-L825 HydrophobicContact CG1-CG 4.2Å; V821-L825 WeakPolarHBondContact O-CB 3.27Å; V821-L825 VanDerWaalsContact O-CG 3.27Å; V821-L825 WeakPolarHBondContact O-CG 3.47Å; V821-L825 PolarHBondContact O-N 3.41Å; V821-N841 HydrophobicContact CG1-CB 4.05Å; V821-N841 HydrophobicContact CG2-CB 4.39Å
822	S	78.9	Confident	83.8	Confident	31 Å²	31	13.4 Å²	13.4	22%	0.217	8%	0.077	C	C	.	.	H	α-helix	trans	-59.6	-38.8	173.9	59	0	0	0	0	112.3	P792 D820 E826	P792-S822 PolarHBondContact O-OG 2.9Å; D820-S822 PolarHBondContact O-N 3.02Å; S822-E826 WeakPolarHBondContact O-CB 3.28Å; S822-E826 PolarHBondContact O-N 3.47Å
823	M	85.8	Confident	82.6	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-72.7	-41.5	177.9	-172.9	-174	51.8	0	0	111.6	F407 L673 K795 V799 S813 I814 D820 V821 E826 S827	F407-M823 HydrophobicContact CB-SD 3.74Å; L673-M823 HydrophobicContact CD1-SD 3.8Å; K795-M823 HydrophobicContact CB-CB 4.2Å; K795-M823 HydrophobicContact CB-CG 4.42Å; K795-M823 HydrophobicContact CB-SD 4.42Å; V799-M823 HydrophobicContact CG2-CG 3.49Å; V799-M823 VanDerWaalsContact CG2-CG 3.49Å; V799-M823 HydrophobicContact CG2-SD 4.34Å; S813-M823 PolarHBondContact OG-O 2.85Å; I814-M823 WeakPolarHBondContact O-CE 3.46Å; D820-M823 HydrophobicContact CB-CE 3.97Å; D820-M823 CarbonylContact O-C 3.55Å; D820-M823 WeakPolarHBondContact O-CA 3.23Å; D820-M823 VanDerWaalsContact O-CB 3.27Å; D820-M823 WeakPolarHBondContact O-CB 3.38Å; D820-M823 PolarHBondContact O-N 3.34Å; V821-M823 VanDerWaalsContact C-N 3.28Å; V821-M823 PolarHBondContact O-N 3.1Å; M823-E826 PolarHBondContact O-N 3.35Å; M823-S827 PolarHBondContact O-N 2.71Å
824	I	86.1	Confident	80.7	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.3	-41.5	178.2	-69.7	171.3	0	0	0	111.3	K280 S813 D820 V821 S827 A838	K280-I824 PolarHBondContact NZ-O 2.77Å; S813-I824 VanDerWaalsContact OG-CA 3.26Å; S813-I824 WeakPolarHBondContact OG-CA 3.35Å; D820-I824 HydrophobicContact CB-CD1 4.29Å; D820-I824 VanDerWaalsContact O-CG1 3.31Å; D820-I824 WeakPolarHBondContact O-CG1 3.44Å; D820-I824 PolarHBondContact O-N 3.13Å; V821-I824 PolarHBondContact O-N 3.34Å; I824-S827 PolarHBondContact O-OG 2.93Å; I824-S827 VanDerWaalsContact O-OG 3.05Å; I824-A838 HydrophobicContact CD1-CB 4Å
825	L	82.3	Confident	78.8	Confident	60 Å²	60	19.1 Å²	19.1	31%	0.314	11%	0.11	S	C	.	.	H	α-helix	trans	-74.6	-30.3	179.8	-68.1	174.2	0	0	0	112.8	V821	V821-L825 HydrophobicContact CG1-CD1 3.75Å; V821-L825 HydrophobicContact CG1-CG 4.2Å; V821-L825 WeakPolarHBondContact O-CB 3.27Å; V821-L825 VanDerWaalsContact O-CG 3.27Å; V821-L825 WeakPolarHBondContact O-CG 3.47Å; V821-L825 PolarHBondContact O-N 3.41Å
826	E	86.8	Confident	77.5	Confident	33 Å²	33	28.3 Å²	28.3	15%	0.154	14%	0.144	C	C	.	.	H	α-helix	trans	-80.6	-29.2	-178.2	-175.9	60.6	-133.5	0	0	113.5	A796 V799 R800 K803 S822 M823	A796-E826 HydrophobicContact CB-CB 4.35Å; V799-E826 HydrophobicContact CB-CG 4.35Å; V799-E826 HydrophobicContact CG1-CB 4.42Å; V799-E826 HydrophobicContact CG1-CG 4.19Å; R800-E826 HydrophobicContact CB-CG 4Å; R800-E826 IonicContact CZ-OE2 2.88Å; R800-E826 IonicContact NE-OE1 3.55Å; R800-E826 PolarHBondContact NE-OE1 3.23Å; R800-E826 IonicContact NE-OE2 2.78Å; R800-E826 PolarHBondContact NE-OE2 3.32Å; R800-E826 IonicContact NH2-OE2 3.49Å; R800-E826 PolarHBondContact NH2-OE2 3.44Å; K803-E826 PolarHBondContact NZ-O 3.46Å; K803-E826 IonicContact NZ-OE1 3.04Å; K803-E826 PolarHBondContact NZ-OE1 2.88Å; S822-E826 WeakPolarHBondContact O-CB 3.28Å; S822-E826 PolarHBondContact O-N 3.47Å; M823-E826 PolarHBondContact O-N 3.35Å
827	S	90.9	Very high	76.5	Confident	3 Å²	3	28 Å²	28	2%	0.021	14%	0.142	C	C	.	.	S	Bend	trans	-68.7	164.9	179.6	68.3	0	0	0	0	113.3	K280 S813 M823 I824 V829	K280-S827 WeakPolarHBondContact CD-O 3.27Å; K280-S827 WeakPolarHBondContact CE-O 3.44Å; K280-S827 PolarHBondContact NZ-O 3.31Å; S813-S827 WeakPolarHBondContact OG-CB 3.36Å; S813-S827 PolarHBondContact OG-OG 3.47Å; M823-S827 PolarHBondContact O-N 2.71Å; I824-S827 PolarHBondContact O-OG 2.93Å; I824-S827 VanDerWaalsContact O-OG 3.05Å; S827-V829 VanDerWaalsContact OG-C 3.29Å; S827-V829 PolarHBondContact OG-O 3.37Å
828	H	91.9	Very high	76.2	Confident	26 Å²	26	27.7 Å²	27.7	12%	0.12	14%	0.139	C	C	.	.	S	Bend	trans	-70.9	-34.8	175	-68.4	94	0	0	0	112.2	K280 P809 I810 T811	K280-H828 WeakPolarHBondContact CD-O 3.33Å; P809-H828 PolarHBondContact O-CE1 2.95Å; I810-H828 HydrophobicContact CG2-CB 4.07Å; T811-H828 PolarHBondContact N-ND1 2.91Å; T811-H828 WeakPolarHBondContact O-CB 3.37Å; T811-H828 PolarHBondContact O-N 3.2Å; T811-H828 PolarHBondContact OG1-N 3.12Å; T811-H828 PolarHBondContact OG1-ND1 3.05Å
829	V	92.8	Very high	76.6	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	123.5	173.8	-176.4	0	0	0	0	108.6	E399 L400 T811 L812 S813 S827 Y844	E399-V829 HydrophobicContact CB-CG2 3.8Å; E399-V829 HydrophobicContact CG-CG2 3.69Å; L400-V829 HydrophobicContact CD2-CG1 3.78Å; T811-V829 PolarHBondContact O-N 3.37Å; L812-V829 VanDerWaalsContact CA-O 3.3Å; L812-V829 WeakPolarHBondContact CA-O 3.25Å; L812-V829 HydrophobicContact CD1-CB 4.46Å; L812-V829 HydrophobicContact CD1-CG1 4.38Å; S813-V829 PolarHBondContact N-O 3.36Å; S827-V829 VanDerWaalsContact OG-C 3.29Å; S827-V829 PolarHBondContact OG-O 3.37Å; V829-Y844 HydrophobicContact CG1-CD2 3.88Å; V829-Y844 HydrophobicContact CG1-CE2 3.87Å
830	G	91.4	Very high	76.6	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.1	177.4	0	0	0	0	0	111.1	D843 Y844	G830-D843 PolarHBondContact N-OD2 3.44Å; G830-D843 WeakPolarHBondContact O-CB 3.37Å; G830-D843 PolarHBondContact O-N 3.47Å; G830-Y844 PolarHBondContact O-N 3.33Å
831	I	91.6	Very high	76.4	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.8	175	-60.4	-173.6	0	0	0	109.3	L812 S813 I814 G815 Y844 V846 L852 L855	L812-I831 HydrophobicContact CD1-CD1 3.71Å; L812-I831 HydrophobicContact CD1-CG1 4.28Å; L812-I831 HydrophobicContact CD2-CD1 4.12Å; L812-I831 HydrophobicContact CD2-CG1 4.43Å; L812-I831 HydrophobicContact CG-CD1 4.24Å; L812-I831 HydrophobicContact CG-CG1 4.42Å; S813-I831 PolarHBondContact O-N 3.37Å; I814-I831 WeakPolarHBondContact CA-O 3.19Å; I814-I831 HydrophobicContact CB-CB 4.22Å; I814-I831 HydrophobicContact CD1-CB 4.5Å; I814-I831 HydrophobicContact CD1-CG2 3.95Å; I814-I831 HydrophobicContact CG1-CB 4.21Å; I814-I831 HydrophobicContact CG1-CG2 4.04Å; G815-I831 PolarHBondContact N-O 2.96Å; I831-Y844 CarbonylContact C-O 3.48Å; I831-Y844 VanDerWaalsContact CA-O 3.24Å; I831-Y844 WeakPolarHBondContact CA-O 3.45Å; I831-V846 HydrophobicContact CG2-CG2 3.73Å; I831-L852 HydrophobicContact CD1-CD1 3.45Å; I831-L852 VanDerWaalsContact CD1-CD1 3.45Å; I831-L855 HydrophobicContact CD1-CD2 3.67Å
832	G	83.2	Confident	76.8	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	128.8	175.9	0	0	0	0	0	110.9	G815 S842 Y844 S845 V846	G815-G832 WeakPolarHBondContact O-CA 3.48Å; G832-S842 PolarHBondContact N-OG 2.8Å; G832-Y844 PolarHBondContact N-O 3.04Å; G832-S845 WeakPolarHBondContact O-CA 3.45Å; G832-S845 PolarHBondContact O-OG 2.83Å; G832-V846 PolarHBondContact O-N 3.07Å
833	K	69.6	Low	77.2	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.132	C	C	.	.			trans	-101.6	158.7	167.6	-162	-170.2	163.4	-155.4	0	109.2	G412 T413 Q653 G815 D816 G835 V846 P847	G412-K833 WeakPolarHBondContact O-CD 3.4Å; G412-K833 WeakPolarHBondContact O-CE 3.37Å; G412-K833 PolarHBondContact O-NZ 2.77Å; T413-K833 VanDerWaalsContact CA-NZ 3.35Å; T413-K833 HydrophobicContact CG2-CD 4.26Å; T413-K833 PolarHBondContact O-NZ 3.46Å; Q653-K833 VanDerWaalsContact CD-CE 3.47Å; Q653-K833 VanDerWaalsContact NE2-CE 3.3Å; G815-K833 PolarHBondContact O-N 3.45Å; D816-K833 WeakPolarHBondContact CA-O 3.1Å; D816-K833 HydrophobicContact CB-CB 4.29Å; K833-G835 PolarHBondContact O-N 3.31Å; K833-V846 WeakPolarHBondContact CA-O 3.41Å; K833-P847 WeakPolarHBondContact CG-O 3.21Å
834	E	54.7	Low	77.4	Confident	96 Å²	96	28.5 Å²	28.5	45%	0.449	13%	0.133	S	C	.	.	S	Bend	trans	9.9	108.5	163	-163.2	174.5	172.4	0	0	116.3	D816	D816-E834 VanDerWaalsContact O-O 3.12Å
835	G	54.7	Low	77.5	Confident	24 Å²	24	29.3 Å²	29.3	25%	0.247	14%	0.138	C	C	.	.	S	Bend	trans	126.8	115.9	-171.8	0	0	0	0	0	111	K833 Q837 A838 A839	K833-G835 PolarHBondContact O-N 3.31Å; G835-Q837 PolarHBondContact O-N 3.35Å; G835-A838 PolarHBondContact O-N 2.9Å; G835-A839 VanDerWaalsContact O-CB 3.3Å; G835-A839 WeakPolarHBondContact O-CB 3.5Å; G835-A839 PolarHBondContact O-N 2.86Å; G835-A839 VanDerWaalsContact O-N 3.15Å
836	R	58.8	Low	77.9	Confident	192 Å²	192	26.5 Å²	26.5	73%	0.725	12%	0.123	S	C	*	.	H	α-helix	trans	-56.1	-23.2	-172.4	-75.2	-177.9	176.8	171.2	-0.5	113.6	R840	R836-R840 WeakPolarHBondContact O-CB 3.38Å; R836-R840 PolarHBondContact O-N 3.4Å; R836-R840 VanDerWaalsContact O-N 3.11Å
837	Q	58.5	Low	78	Confident	22 Å²	22	25.4 Å²	25.4	10%	0.103	12%	0.119	C	C	.	.	H	α-helix	trans	-77.5	-59.5	-178.4	-75.9	-105.9	-23.6	0	0	114.1	S177 L178 G835 A839 R840 N841	S177-Q837 VanDerWaalsContact O-CD 3.22Å; S177-Q837 WeakPolarHBondContact O-CG 3.39Å; S177-Q837 PolarHBondContact O-NE2 3.45Å; L178-Q837 WeakPolarHBondContact O-CG 3.47Å; L178-Q837 PolarHBondContact O-NE2 3.2Å; L178-Q837 PolarHBondContact O-OE1 2.86Å; G835-Q837 PolarHBondContact O-N 3.35Å; Q837-A839 VanDerWaalsContact C-N 3.28Å; Q837-A839 PolarHBondContact O-N 3.09Å; Q837-R840 PolarHBondContact O-N 3.35Å; Q837-N841 WeakPolarHBondContact O-CB 3.44Å; Q837-N841 PolarHBondContact O-N 3.36Å; Q837-N841 PolarHBondContact O-ND2 3.08Å
838	A	63	Low	77.9	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.2	-43.8	178.1	0	0	0	0	0	109.5	D816 I824 G835 R840 N841 S842	D816-A838 WeakPolarHBondContact O-CB 3.25Å; I824-A838 HydrophobicContact CD1-CB 4Å; G835-A838 PolarHBondContact O-N 2.9Å; A838-R840 PolarHBondContact O-N 3.48Å; A838-N841 PolarHBondContact O-N 3.42Å; A838-S842 WeakPolarHBondContact O-CB 3.45Å; A838-S842 PolarHBondContact O-N 3.46Å; A838-S842 PolarHBondContact O-OG 3.47Å
839	A	69.9	Low	77.8	Confident	16 Å²	16	24.7 Å²	24.7	13%	0.132	12%	0.115	C	C	.	.	H	α-helix	trans	-54.9	-48.6	173.5	0	0	0	0	0	112.6	N392 G835 Q837 S842 S845	N392-A839 PolarHBondContact ND2-O 3.1Å; G835-A839 VanDerWaalsContact O-CB 3.3Å; G835-A839 WeakPolarHBondContact O-CB 3.5Å; G835-A839 PolarHBondContact O-N 2.86Å; G835-A839 VanDerWaalsContact O-N 3.15Å; Q837-A839 VanDerWaalsContact C-N 3.28Å; Q837-A839 PolarHBondContact O-N 3.09Å; A839-S842 PolarHBondContact O-OG 2.9Å; A839-S845 VanDerWaalsContact CB-OG 3.25Å; A839-S845 WeakPolarHBondContact CB-OG 3.49Å
840	R	68.3	Low	77.8	Confident	98 Å²	98	27.1 Å²	27.1	37%	0.37	13%	0.126	S	C	.	.	H	α-helix	trans	-71.4	-34.8	-178.8	178.1	179.9	161.8	-173.2	-4	114.2	K277 R836 Q837 A838	K277-R840 PolarHBondContact NZ-O 3.22Å; R836-R840 WeakPolarHBondContact O-CB 3.38Å; R836-R840 PolarHBondContact O-N 3.4Å; R836-R840 VanDerWaalsContact O-N 3.11Å; Q837-R840 PolarHBondContact O-N 3.35Å; A838-R840 PolarHBondContact O-N 3.48Å
841	N	71.4	Confident	77.9	Confident	18 Å²	18	27.9 Å²	27.9	10%	0.096	13%	0.129	C	C	.	.	H	α-helix	trans	-85.9	-19.3	-177.7	-70	-33.1	0	0	0	112.8	V821 Q837 A838	V821-N841 HydrophobicContact CG1-CB 4.05Å; V821-N841 HydrophobicContact CG2-CB 4.39Å; Q837-N841 WeakPolarHBondContact O-CB 3.44Å; Q837-N841 PolarHBondContact O-N 3.36Å; Q837-N841 PolarHBondContact O-ND2 3.08Å; A838-N841 PolarHBondContact O-N 3.42Å
842	S	82.2	Confident	78.1	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-70.2	165.2	172.9	71.3	0	0	0	0	113.5	N392 G832 A838 A839 Y844	N392-S842 WeakPolarHBondContact CB-O 3.48Å; N392-S842 PolarHBondContact ND2-O 3.15Å; G832-S842 PolarHBondContact N-OG 2.8Å; A838-S842 WeakPolarHBondContact O-CB 3.45Å; A838-S842 PolarHBondContact O-N 3.46Å; A838-S842 PolarHBondContact O-OG 3.47Å; A839-S842 PolarHBondContact O-OG 2.9Å; S842-Y844 WeakPolarHBondContact CB-O 3.44Å; S842-Y844 PolarHBondContact OG-O 3.45Å
843	D	86.7	Confident	78.6	Confident	9 Å²	9	29.5 Å²	29.5	5%	0.048	14%	0.136	C	C	.	.	S	Bend	trans	-81.1	-37.2	173.5	-60.2	-58.2	0	0	0	111.1	K280 N392 T393 L396 G830	K280-D843 WeakPolarHBondContact CD-OD2 3.45Å; K280-D843 WeakPolarHBondContact CE-OD2 3.3Å; K280-D843 IonicContact NZ-OD2 3.38Å; K280-D843 PolarHBondContact NZ-OD2 3.29Å; N392-D843 WeakPolarHBondContact CB-O 3.44Å; N392-D843 PolarHBondContact N-O 2.8Å; T393-D843 PolarHBondContact N-O 2.96Å; T393-D843 PolarHBondContact OG1-OD1 3.01Å; L396-D843 HydrophobicContact CD1-CB 4.08Å; G830-D843 PolarHBondContact N-OD2 3.44Å; G830-D843 WeakPolarHBondContact O-CB 3.37Å; G830-D843 PolarHBondContact O-N 3.47Å
844	Y	89.9	Confident	79.8	Confident	2 Å²	2	30.9 Å²	30.9	1%	0.008	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	141.6	175.7	-56.4	-85.3	0	0	0	109.7	I374 L390 V391 L396 N397 L400 V829 G830 I831 G832 S842	I374-Y844 HydrophobicContact CD1-CD1 4.28Å; I374-Y844 HydrophobicContact CD1-CE1 3.91Å; L390-Y844 CarbonylContact O-C 3.55Å; L390-Y844 WeakPolarHBondContact O-CA 3.36Å; V391-Y844 HydrophobicContact CB-CD1 4.39Å; V391-Y844 HydrophobicContact CB-CE1 4.49Å; V391-Y844 HydrophobicContact CG1-CD1 3.95Å; V391-Y844 HydrophobicContact CG1-CE1 3.65Å; V391-Y844 HydrophobicContact CG2-CD1 4.05Å; V391-Y844 HydrophobicContact CG2-CE1 4.25Å; L396-Y844 HydrophobicContact CB-CE2 4.4Å; L396-Y844 PolarHBondContact O-OH 3.02Å; N397-Y844 WeakPolarHBondContact CA-OH 3.35Å; N397-Y844 PolarHBondContact N-OH 2.7Å; N397-Y844 WeakPolarHBondContact OD1-CE1 3.41Å; N397-Y844 PolarHBondContact OD1-OH 2.94Å; L400-Y844 HydrophobicContact CD1-CD1 4.49Å; L400-Y844 HydrophobicContact CD1-CD2 4.39Å; L400-Y844 HydrophobicContact CD1-CE1 4.03Å; L400-Y844 HydrophobicContact CD1-CE2 3.91Å; L400-Y844 HydrophobicContact CD2-CD2 4.04Å; L400-Y844 HydrophobicContact CD2-CE2 3.96Å; L400-Y844 HydrophobicContact CG-CE2 3.97Å; V829-Y844 HydrophobicContact CG1-CD2 3.88Å; V829-Y844 HydrophobicContact CG1-CE2 3.87Å; G830-Y844 PolarHBondContact O-N 3.33Å; I831-Y844 CarbonylContact C-O 3.48Å; I831-Y844 VanDerWaalsContact CA-O 3.24Å; I831-Y844 WeakPolarHBondContact CA-O 3.45Å; G832-Y844 PolarHBondContact N-O 3.04Å; S842-Y844 WeakPolarHBondContact CB-O 3.44Å; S842-Y844 PolarHBondContact OG-O 3.45Å
845	S	89.1	Confident	81.7	Confident	16 Å²	16	26.3 Å²	26.3	11%	0.112	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.4	170.3	-171.7	0	0	0	0	111	A389 L390 G832 A839	A389-S845 VanDerWaalsContact CA-O 3.28Å; A389-S845 WeakPolarHBondContact CA-O 3.27Å; L390-S845 PolarHBondContact N-O 3Å; L390-S845 PolarHBondContact O-N 2.62Å; G832-S845 WeakPolarHBondContact O-CA 3.45Å; G832-S845 PolarHBondContact O-OG 2.83Å; A839-S845 VanDerWaalsContact CB-OG 3.25Å; A839-S845 WeakPolarHBondContact CB-OG 3.49Å
846	V	91.1	Very high	83.6	Confident	1 Å²	1	25.1 Å²	25.1	1%	0.006	11%	0.109	C	C	.	.			trans	-129	138.3	174.5	-65	0	0	0	0	109	A389 I831 G832 K833 H851 L855	A389-V846 HydrophobicContact CB-CG1 4.39Å; I831-V846 HydrophobicContact CG2-CG2 3.73Å; G832-V846 PolarHBondContact O-N 3.07Å; K833-V846 WeakPolarHBondContact CA-O 3.41Å; V846-H851 HydrophobicContact CB-CB 4.21Å; V846-H851 HydrophobicContact CG1-CB 4.44Å; V846-L855 HydrophobicContact CG1-CD2 4.04Å
847	P	87.3	Confident	85.2	Confident	10 Å²	10	16.1 Å²	16.1	7%	0.065	8%	0.075	C	C	.	.	S	Bend	trans	-70.7	-41	-174.8	23.3	-31.8	0	0	0	113	F380 D382 I385 K833	F380-P847 VanDerWaalsContact O-CG 3.31Å; F380-P847 WeakPolarHBondContact O-CG 3.22Å; D382-P847 HydrophobicContact CB-CB 3.87Å; D382-P847 HydrophobicContact CB-CG 3.79Å; I385-P847 HydrophobicContact CD1-CB 4.12Å; K833-P847 WeakPolarHBondContact CG-O 3.21Å
848	K	88.9	Confident	86.9	Confident	13 Å²	13	15 Å²	15	6%	0.057	7%	0.07	C	C	.	.	S	Bend	trans	-119.9	152.6	-176.8	-59	-72.3	-171.7	170.8	0	111.8	D382 E384 K850 H851	D382-K848 WeakPolarHBondContact OD2-CE 3.46Å; D382-K848 VanDerWaalsContact OD2-CG 3.23Å; D382-K848 WeakPolarHBondContact OD2-CG 3.18Å; E384-K848 IonicContact OE2-NZ 2.81Å; E384-K848 PolarHBondContact OE2-NZ 2.86Å; K848-K850 HydrophobicContact CB-CG 4.09Å; K848-K850 PolarHBondContact O-N 3.37Å; K848-H851 WeakPolarHBondContact O-CB 3.36Å; K848-H851 PolarHBondContact O-N 3.33Å
849	F	91.7	Very high	88.4	Confident	1 Å²	1	15.7 Å²	15.7	0%	0.004	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-33.6	-179.6	-174.8	-95.2	0	0	0	112.9	L414 A656 T659 I660 I814 H851 L852	L414-F849 HydrophobicContact CD2-CD1 4.2Å; L414-F849 HydrophobicContact CD2-CD2 4.17Å; L414-F849 HydrophobicContact CD2-CE1 3.78Å; L414-F849 HydrophobicContact CD2-CE2 3.75Å; L414-F849 HydrophobicContact CD2-CG 4.38Å; L414-F849 HydrophobicContact CD2-CZ 3.54Å; A656-F849 HydrophobicContact CB-CD1 4.3Å; T659-F849 HydrophobicContact CG2-CD1 3.95Å; T659-F849 HydrophobicContact CG2-CE1 3.55Å; T659-F849 HydrophobicContact CG2-CZ 4.33Å; I660-F849 HydrophobicContact CG1-CE1 4.1Å; I660-F849 HydrophobicContact CG1-CZ 4.21Å; I814-F849 HydrophobicContact CD1-CD2 3.89Å; I814-F849 HydrophobicContact CD1-CE2 4.27Å; I814-F849 HydrophobicContact CG2-CE2 4.18Å; F849-H851 PolarHBondContact O-N 3.16Å; F849-H851 VanDerWaalsContact O-N 3.1Å; F849-L852 HydrophobicContact CD2-CD2 4.49Å; F849-L852 HydrophobicContact CE2-CD2 3.89Å; F849-L852 HydrophobicContact CZ-CD2 4.08Å; F849-L852 WeakPolarHBondContact O-CB 3.45Å; F849-L852 PolarHBondContact O-N 3.07Å
850	K	92.1	Very high	89.5	Confident	51 Å²	51	15 Å²	15	22%	0.222	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-30.9	177.3	66.8	-171.9	175.1	-167.7	0	113.9	D654 Q655 K848 L852 K853	D654-K850 HydrophobicContact CB-CD 3.99Å; D654-K850 IonicContact OD2-NZ 2.96Å; D654-K850 PolarHBondContact OD2-NZ 2.77Å; D654-K850 VanDerWaalsContact OD2-NZ 3.07Å; Q655-K850 HydrophobicContact CB-CB 4.11Å; K848-K850 HydrophobicContact CB-CG 4.09Å; K848-K850 PolarHBondContact O-N 3.37Å; K850-L852 PolarHBondContact O-N 2.81Å; K850-K853 WeakPolarHBondContact O-CB 3.46Å; K850-K853 PolarHBondContact O-N 2.89Å
851	H	94	Very high	90.7	Very high	16 Å²	16	10.4 Å²	10.4	7%	0.074	5%	0.05	C	C	.	.	H	α-helix	trans	-65.3	-22.5	178.2	-63.7	164.2	0	0	0	112.9	D379 F380 V846 K848 F849 K853 K854 L855	D379-H851 PolarHBondContact O-CD2 3.25Å; D379-H851 VanDerWaalsContact O-CD2 3.27Å; D379-H851 PolarHBondContact O-NE2 3.39Å; F380-H851 HydrophobicContact CD1-CB 3.58Å; F380-H851 AromaticContact CD1-CG 3.76Å; F380-H851 HydrophobicContact CE1-CB 3.93Å; F380-H851 WeakPolarHBondContact CE1-O 3.29Å; F380-H851 PolarHBondContact O-CE1 3.01Å; V846-H851 HydrophobicContact CB-CB 4.21Å; V846-H851 HydrophobicContact CG1-CB 4.44Å; K848-H851 WeakPolarHBondContact O-CB 3.36Å; K848-H851 PolarHBondContact O-N 3.33Å; F849-H851 PolarHBondContact O-N 3.16Å; F849-H851 VanDerWaalsContact O-N 3.1Å; H851-K853 PolarHBondContact O-N 3.5Å; H851-K854 PolarHBondContact O-N 3.49Å; H851-L855 WeakPolarHBondContact O-CB 3.38Å; H851-L855 PolarHBondContact O-N 3.06Å
852	L	94.1	Very high	91.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-59.3	-35.9	177.4	-173.1	62.7	0	0	0	112.2	V406 T659 L663 L812 I814 I831 F849 K850 L855 L856	V406-L852 HydrophobicContact CG1-CD2 4.48Å; T659-L852 HydrophobicContact CG2-CB 4.4Å; L663-L852 HydrophobicContact CD1-CD2 4.19Å; L812-L852 HydrophobicContact CD2-CD1 4.47Å; I814-L852 HydrophobicContact CD1-CD2 4.26Å; I831-L852 HydrophobicContact CD1-CD1 3.45Å; I831-L852 VanDerWaalsContact CD1-CD1 3.45Å; F849-L852 HydrophobicContact CD2-CD2 4.49Å; F849-L852 HydrophobicContact CE2-CD2 3.89Å; F849-L852 HydrophobicContact CZ-CD2 4.08Å; F849-L852 WeakPolarHBondContact O-CB 3.45Å; F849-L852 PolarHBondContact O-N 3.07Å; K850-L852 PolarHBondContact O-N 2.81Å; L852-L855 PolarHBondContact O-N 3.44Å; L852-L856 HydrophobicContact CD1-CD1 3.78Å; L852-L856 HydrophobicContact CD1-CG 3.92Å; L852-L856 HydrophobicContact CG-CD1 4.02Å; L852-L856 HydrophobicContact CG-CG 4.41Å; L852-L856 PolarHBondContact O-N 2.93Å; L852-L856 VanDerWaalsContact O-N 3.08Å
853	K	94.3	Very high	92.4	Very high	34 Å²	34	9.8 Å²	9.8	15%	0.148	5%	0.047	C	C	.	.	H	α-helix	trans	-56	-55.2	176.2	-177.6	179.7	172.6	179.2	0	110.7	E658 T659 A662 K850 H851 L857	E658-K853 IonicContact OE1-NZ 2.76Å; E658-K853 PolarHBondContact OE1-NZ 3.5Å; T659-K853 HydrophobicContact CG2-CB 4.07Å; A662-K853 HydrophobicContact CB-CD 4.07Å; A662-K853 HydrophobicContact CB-CG 4.19Å; K850-K853 WeakPolarHBondContact O-CB 3.46Å; K850-K853 PolarHBondContact O-N 2.89Å; H851-K853 PolarHBondContact O-N 3.5Å; K853-L857 HydrophobicContact CG-CD1 3.83Å; K853-L857 VanDerWaalsContact O-CB 3.22Å; K853-L857 WeakPolarHBondContact O-CB 3.09Å; K853-L857 VanDerWaalsContact O-CG 3.25Å; K853-L857 WeakPolarHBondContact O-CG 3.44Å; K853-L857 PolarHBondContact O-N 3.35Å; K853-L857 VanDerWaalsContact O-N 3.07Å
854	K	94.6	Very high	92.7	Very high	29 Å²	29	9.3 Å²	9.3	13%	0.126	4%	0.044	C	C	.	.	H	α-helix	trans	-69.8	-37.6	-179.3	-168.8	-178.2	-175.6	-164.6	0	111.8	D377 D379 F380 H851 L856 A858 H859	D377-K854 VanDerWaalsContact CG-NZ 3.3Å; D377-K854 IonicContact OD1-NZ 3.61Å; D377-K854 PolarHBondContact OD1-NZ 3.24Å; D377-K854 WeakPolarHBondContact OD2-CE 3.48Å; D377-K854 IonicContact OD2-NZ 3Å; D377-K854 PolarHBondContact OD2-NZ 2.99Å; D379-K854 HydrophobicContact CB-CD 3.89Å; D379-K854 WeakPolarHBondContact OD2-CE 3.3Å; D379-K854 IonicContact OD2-NZ 3.8Å; D379-K854 PolarHBondContact OD2-NZ 3.35Å; F380-K854 HydrophobicContact CE1-CB 4.06Å; F380-K854 HydrophobicContact CE1-CD 4.42Å; F380-K854 HydrophobicContact CE1-CG 4.43Å; F380-K854 HydrophobicContact CZ-CB 4.37Å; F380-K854 HydrophobicContact CZ-CD 4.45Å; F380-K854 HydrophobicContact CZ-CG 4.37Å; H851-K854 PolarHBondContact O-N 3.49Å; K854-L856 PolarHBondContact O-N 3.05Å; K854-A858 HydrophobicContact CG-CB 3.81Å; K854-A858 VanDerWaalsContact O-CA 3.3Å; K854-A858 WeakPolarHBondContact O-CA 3.34Å; K854-A858 WeakPolarHBondContact O-CB 3.48Å; K854-A858 PolarHBondContact O-N 3.15Å; K854-H859 PolarHBondContact O-N 3.19Å
855	L	95.4	Very high	92.9	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.046	C	C	.	.	I	π-helix	trans	-60.8	-47.4	-179.8	-177.8	63.9	0	0	0	112.4	I374 F380 L400 I831 V846 H851 L852 H859 G860	I374-L855 HydrophobicContact CD1-CD1 4.21Å; I374-L855 HydrophobicContact CG1-CD1 4.42Å; I374-L855 HydrophobicContact CG2-CD1 4.1Å; F380-L855 HydrophobicContact CE1-CB 4.24Å; F380-L855 HydrophobicContact CZ-CB 4.06Å; F380-L855 HydrophobicContact CZ-CD1 4.22Å; L400-L855 HydrophobicContact CD1-CD1 4.09Å; L400-L855 HydrophobicContact CD1-CG 4.39Å; L400-L855 HydrophobicContact CD2-CD2 4.45Å; L400-L855 HydrophobicContact CD2-CG 4.45Å; I831-L855 HydrophobicContact CD1-CD2 3.67Å; V846-L855 HydrophobicContact CG1-CD2 4.04Å; H851-L855 WeakPolarHBondContact O-CB 3.38Å; H851-L855 PolarHBondContact O-N 3.06Å; L852-L855 PolarHBondContact O-N 3.44Å; L855-H859 WeakPolarHBondContact O-CB 3.41Å; L855-H859 PolarHBondContact O-N 3.17Å; L855-G860 PolarHBondContact O-N 2.89Å
856	L	93.9	Very high	93.1	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.043	C	C	.	.	I	π-helix	trans	-81.2	-53	-177.8	-61.6	-179.3	0	0	0	112.6	L400 V403 L663 L668 L812 L852 K854 A858 H861	L400-L856 HydrophobicContact CB-CD2 4.21Å; L400-L856 HydrophobicContact CD2-CD2 3.77Å; L400-L856 WeakPolarHBondContact O-CD2 3.37Å; V403-L856 HydrophobicContact CG2-CD2 4.28Å; L663-L856 HydrophobicContact CD2-CD1 3.98Å; L668-L856 HydrophobicContact CD1-CD1 4.47Å; L812-L856 HydrophobicContact CD1-CD1 4.06Å; L812-L856 HydrophobicContact CD1-CD2 3.54Å; L812-L856 HydrophobicContact CD1-CG 4.37Å; L852-L856 HydrophobicContact CD1-CD1 3.78Å; L852-L856 HydrophobicContact CD1-CG 3.92Å; L852-L856 HydrophobicContact CG-CD1 4.02Å; L852-L856 HydrophobicContact CG-CG 4.41Å; L852-L856 PolarHBondContact O-N 2.93Å; L852-L856 VanDerWaalsContact O-N 3.08Å; K854-L856 PolarHBondContact O-N 3.05Å; L856-A858 VanDerWaalsContact C-N 3.33Å; L856-A858 PolarHBondContact O-N 3.36Å; L856-H861 PolarHBondContact O-N 3.32Å
857	L	93.3	Very high	93.3	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.01	4%	0.042	C	C	.	.	I	π-helix	trans	-71	-34	-172.8	-56.4	179	0	0	0	111.6	A662 A666 K853 H861 L932 P936 Y939	A662-L857 HydrophobicContact CB-CD1 4.31Å; A666-L857 HydrophobicContact CB-CD2 3.63Å; K853-L857 HydrophobicContact CG-CD1 3.83Å; K853-L857 VanDerWaalsContact O-CB 3.22Å; K853-L857 WeakPolarHBondContact O-CB 3.09Å; K853-L857 VanDerWaalsContact O-CG 3.25Å; K853-L857 WeakPolarHBondContact O-CG 3.44Å; K853-L857 PolarHBondContact O-N 3.35Å; K853-L857 VanDerWaalsContact O-N 3.07Å; L857-H861 WeakPolarHBondContact O-CB 3.45Å; L857-L932 WeakPolarHBondContact O-CD2 3.49Å; L857-L932 WeakPolarHBondContact O-CG 3.43Å; L857-P936 HydrophobicContact CD1-CB 3.85Å; L857-P936 HydrophobicContact CD1-CG 4.01Å; L857-P936 HydrophobicContact CD2-CB 4.45Å; L857-Y939 HydrophobicContact CD2-CD2 3.98Å; L857-Y939 HydrophobicContact CD2-CG 4.03Å
858	A	93.3	Very high	93.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.039	C	C	.	.	I	π-helix	trans	-95.7	-73.1	-174.8	0	0	0	0	0	111.5	K854 L856 L862 I929 T933	K854-A858 HydrophobicContact CG-CB 3.81Å; K854-A858 VanDerWaalsContact O-CA 3.3Å; K854-A858 WeakPolarHBondContact O-CA 3.34Å; K854-A858 WeakPolarHBondContact O-CB 3.48Å; K854-A858 PolarHBondContact O-N 3.15Å; L856-A858 VanDerWaalsContact C-N 3.33Å; L856-A858 PolarHBondContact O-N 3.36Å; A858-L862 VanDerWaalsContact O-CG 3.32Å; A858-L862 WeakPolarHBondContact O-CG 3.39Å; A858-L862 PolarHBondContact O-N 3.34Å; A858-L862 VanDerWaalsContact O-N 3.15Å; A858-I929 HydrophobicContact CB-CD1 3.28Å; A858-I929 HydrophobicContact CB-CG1 3.81Å; A858-T933 WeakPolarHBondContact CB-OG1 3.39Å
859	H	94.6	Very high	93.8	Very high	14 Å²	14	9 Å²	9	7%	0.065	4%	0.04	C	C	.	.	I	π-helix	trans	-66.4	-48.5	-176.2	-78.1	-83	0	0	0	112.8	I374 D377 F380 K854 L855 H861 L862 Y863	I374-H859 HydrophobicContact CG1-CB 4.44Å; D377-H859 IonicContact OD2-CD2 2.98Å; D377-H859 IonicContact OD2-CE1 2.66Å; D377-H859 IonicContact OD2-NE2 2.74Å; D377-H859 PolarHBondContact OD2-NE2 3.45Å; F380-H859 AromaticContact CE2-CD2 3.69Å; F380-H859 AromaticContact CE2-NE2 3.65Å; F380-H859 AromaticContact CZ-CD2 3.67Å; K854-H859 PolarHBondContact O-N 3.19Å; L855-H859 WeakPolarHBondContact O-CB 3.41Å; L855-H859 PolarHBondContact O-N 3.17Å; H859-H861 PolarHBondContact O-N 3.17Å; H859-L862 PolarHBondContact O-N 2.95Å; H859-Y863 HydrophobicContact CB-CD2 4.39Å; H859-Y863 HydrophobicContact CB-CE2 4.02Å; H859-Y863 WeakPolarHBondContact O-CD2 3.3Å; H859-Y863 PolarHBondContact O-N 3.31Å
860	G	93.4	Very high	94	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.04	C	C	.	.	I	π-helix	trans	-58.6	-47.3	-179.5	0	0	0	0	0	112.5	G401 L855 L862 Y863 Y864	G401-G860 VanDerWaalsContact CA-O 3.25Å; G401-G860 WeakPolarHBondContact CA-O 3.37Å; G401-G860 PolarHBondContact N-O 3.05Å; L855-G860 PolarHBondContact O-N 2.89Å; G860-L862 PolarHBondContact O-N 3.01Å; G860-Y863 PolarHBondContact O-N 3.37Å; G860-Y864 PolarHBondContact O-N 3.24Å
861	H	93.3	Very high	94	Very high	3 Å²	3	6.5 Å²	6.5	1%	0.014	3%	0.029	C	C	.	.	H	α-helix	trans	-56.5	-50.2	174.7	-175.4	137.2	0	0	0	111.7	L856 L857 H859 Y864 V865 H926 L932 I942	L856-H861 PolarHBondContact O-N 3.32Å; L857-H861 WeakPolarHBondContact O-CB 3.45Å; H859-H861 PolarHBondContact O-N 3.17Å; H861-Y864 PolarHBondContact O-N 3.47Å; H861-V865 WeakPolarHBondContact O-CG2 3.35Å; H861-V865 PolarHBondContact O-N 3.33Å; H861-H926 AromaticContact CD2-NE2 3.4Å; H861-H926 PolarHBondContact CD2-NE2 3.07Å; H861-H926 AromaticContact NE2-CE1 3.37Å; H861-H926 PolarHBondContact NE2-CE1 3.34Å; H861-H926 AromaticContact NE2-NE2 2.88Å; H861-H926 PolarHBondContact NE2-NE2 2.95Å; H861-L932 HydrophobicContact CB-CD2 3.78Å; H861-I942 WeakPolarHBondContact CD2-CD1 3.34Å; H861-I942 WeakPolarHBondContact CE1-CD1 3.49Å; H861-I942 WeakPolarHBondContact NE2-CD1 3.42Å
862	L	94	Very high	94	Very high	3 Å²	3	6 Å²	6	2%	0.016	3%	0.027	C	C	.	.	H	α-helix	trans	-62.1	-45	-179.4	-71.5	179.6	0	0	0	111.7	A858 H859 G860 Y864 V865 R866 Q925 I929 L932	A858-L862 VanDerWaalsContact O-CG 3.32Å; A858-L862 WeakPolarHBondContact O-CG 3.39Å; A858-L862 PolarHBondContact O-N 3.34Å; A858-L862 VanDerWaalsContact O-N 3.15Å; H859-L862 PolarHBondContact O-N 2.95Å; G860-L862 PolarHBondContact O-N 3.01Å; L862-Y864 VanDerWaalsContact C-N 3.31Å; L862-Y864 PolarHBondContact O-N 2.95Å; L862-V865 PolarHBondContact O-N 3.36Å; L862-R866 VanDerWaalsContact O-CB 3.28Å; L862-R866 WeakPolarHBondContact O-CB 3.14Å; L862-R866 VanDerWaalsContact O-CD 3.27Å; L862-R866 WeakPolarHBondContact O-CD 3.45Å; L862-R866 WeakPolarHBondContact O-CG 3.37Å; L862-R866 PolarHBondContact O-N 2.99Å; L862-Q925 HydrophobicContact CD1-CG 4.16Å; L862-Q925 HydrophobicContact CD2-CB 4.4Å; L862-I929 HydrophobicContact CD1-CD1 3.43Å; L862-I929 VanDerWaalsContact CD1-CD1 3.43Å; L862-I929 HydrophobicContact CG-CD1 4.38Å; L862-L932 HydrophobicContact CD2-CD2 4.39Å; L862-L932 HydrophobicContact CG-CD2 4.25Å
863	Y	94.7	Very high	94.1	Very high	1 Å²	1	6 Å²	6	0%	0.004	3%	0.027	C	C	.	.	H	α-helix	trans	-60.6	-40.9	177.6	-72.3	-47.4	0	0	0	112.7	G370 I374 N397 H859 G860 I867	G370-Y863 PolarHBondContact O-OH 2.89Å; I374-Y863 HydrophobicContact CD1-CE2 3.77Å; I374-Y863 HydrophobicContact CG1-CE2 3.94Å; N397-Y863 HydrophobicContact CB-CD2 3.88Å; N397-Y863 HydrophobicContact CB-CE2 4.31Å; N397-Y863 HydrophobicContact CB-CG 4.04Å; N397-Y863 WeakPolarHBondContact O-CB 3.32Å; H859-Y863 HydrophobicContact CB-CD2 4.39Å; H859-Y863 HydrophobicContact CB-CE2 4.02Å; H859-Y863 WeakPolarHBondContact O-CD2 3.3Å; H859-Y863 PolarHBondContact O-N 3.31Å; G860-Y863 PolarHBondContact O-N 3.37Å; Y863-I867 WeakPolarHBondContact O-CG2 3.41Å; Y863-I867 PolarHBondContact O-N 3.5Å
864	Y	94	Very high	94.1	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-62.2	-48	175.3	177.2	-95.8	0	0	0	112.1	V284 Q402 G860 H861 L862 R866 I867 A868 I942 N945 A946 M947	V284-Y864 HydrophobicContact CG2-CD2 4.14Å; V284-Y864 HydrophobicContact CG2-CE2 4.08Å; Q402-Y864 VanDerWaalsContact CD-CD2 3.4Å; Q402-Y864 HydrophobicContact CG-CD2 3.39Å; Q402-Y864 HydrophobicContact CG-CE2 3.68Å; Q402-Y864 HydrophobicContact CG-CG 4.12Å; Q402-Y864 VanDerWaalsContact NE2-CD2 3.3Å; G860-Y864 PolarHBondContact O-N 3.24Å; H861-Y864 PolarHBondContact O-N 3.47Å; L862-Y864 VanDerWaalsContact C-N 3.31Å; L862-Y864 PolarHBondContact O-N 2.95Å; Y864-R866 PolarHBondContact O-N 3.32Å; Y864-I867 WeakPolarHBondContact O-CG2 3.48Å; Y864-A868 HydrophobicContact CE1-CB 4.3Å; Y864-A868 WeakPolarHBondContact O-CB 3.11Å; Y864-A868 PolarHBondContact O-N 3.03Å; Y864-I942 HydrophobicContact CD1-CB 4.36Å; Y864-I942 HydrophobicContact CD1-CD1 4.23Å; Y864-I942 HydrophobicContact CD1-CG1 4.36Å; Y864-I942 HydrophobicContact CD1-CG2 3.25Å; Y864-I942 HydrophobicContact CE1-CB 4.48Å; Y864-I942 HydrophobicContact CE1-CG2 3.58Å; Y864-I942 HydrophobicContact CG-CG2 3.95Å; Y864-N945 WeakPolarHBondContact CE2-OD1 3.4Å; Y864-N945 VanDerWaalsContact OH-CA 3.25Å; Y864-N945 WeakPolarHBondContact OH-CA 3.11Å; Y864-N945 PolarHBondContact OH-O 3.24Å; Y864-N945 PolarHBondContact OH-OD1 3.37Å; Y864-A946 PolarHBondContact OH-N 3.3Å; Y864-M947 HydrophobicContact CE1-CB 3.94Å; Y864-M947 HydrophobicContact CE1-CG 3.95Å; Y864-M947 HydrophobicContact CE1-SD 4.08Å; Y864-M947 PolarHBondContact OH-N 2.85Å
865	V	93.1	Very high	94	Very high	8 Å²	8	3 Å²	3	5%	0.048	1%	0.014	C	C	.	.	H	α-helix	trans	-63	-44.8	179.7	175.5	0	0	0	0	111.3	H861 L862 A868 H869 I942 M947	H861-V865 WeakPolarHBondContact O-CG2 3.35Å; H861-V865 PolarHBondContact O-N 3.33Å; L862-V865 PolarHBondContact O-N 3.36Å; V865-A868 PolarHBondContact O-N 3.4Å; V865-H869 WeakPolarHBondContact O-CB 3.25Å; V865-H869 PolarHBondContact O-N 3.15Å; V865-I942 HydrophobicContact CG2-CD1 3.31Å; V865-I942 HydrophobicContact CG2-CG1 4.4Å; V865-M947 HydrophobicContact CB-SD 4.43Å; V865-M947 HydrophobicContact CG1-CE 4.36Å; V865-M947 HydrophobicContact CG1-SD 4.32Å; V865-M947 HydrophobicContact CG2-SD 4.04Å
866	R	94.6	Very high	94	Very high	10 Å²	10	3 Å²	3	4%	0.038	1%	0.014	C	C	.	.	H	α-helix	trans	-58.2	-51.6	179	-74.7	162.1	179.7	-179	-2.2	111.5	L862 Y864 L870 S921 L922 E924	L862-R866 VanDerWaalsContact O-CB 3.28Å; L862-R866 WeakPolarHBondContact O-CB 3.14Å; L862-R866 VanDerWaalsContact O-CD 3.27Å; L862-R866 WeakPolarHBondContact O-CD 3.45Å; L862-R866 WeakPolarHBondContact O-CG 3.37Å; L862-R866 PolarHBondContact O-N 2.99Å; Y864-R866 PolarHBondContact O-N 3.32Å; R866-L870 VanDerWaalsContact O-CB 3.25Å; R866-L870 WeakPolarHBondContact O-CB 3.43Å; R866-L870 PolarHBondContact O-N 2.93Å; R866-S921 WeakPolarHBondContact CB-O 2.98Å; R866-S921 VanDerWaalsContact CD-O 3.25Å; R866-S921 WeakPolarHBondContact CD-O 3.48Å; R866-S921 WeakPolarHBondContact CG-O 3.06Å; R866-L922 PolarHBondContact NH1-O 3.2Å; R866-L922 PolarHBondContact NH2-O 3.39Å; R866-E924 PolarHBondContact NE-O 2.87Å; R866-E924 PolarHBondContact NH2-O 3Å
867	I	94.1	Very high	94	Very high	0 Å²	0	3 Å²	3	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-71.1	-38.3	-179.1	-159.9	170	0	0	0	111.7	V284 V363 E398 Y863 Y864 H869 L870 V871	V284-I867 HydrophobicContact CG1-CD1 4.1Å; V284-I867 HydrophobicContact CG1-CG1 4.3Å; V284-I867 HydrophobicContact CG1-CG2 4.12Å; V284-I867 HydrophobicContact CG2-CG2 4.26Å; V363-I867 HydrophobicContact CG1-CD1 3.85Å; E398-I867 HydrophobicContact CB-CB 4.43Å; E398-I867 HydrophobicContact CB-CD1 4.29Å; E398-I867 HydrophobicContact CB-CG2 3.58Å; E398-I867 HydrophobicContact CG-CD1 4.07Å; E398-I867 HydrophobicContact CG-CG2 4.1Å; Y863-I867 WeakPolarHBondContact O-CG2 3.41Å; Y863-I867 PolarHBondContact O-N 3.5Å; Y864-I867 WeakPolarHBondContact O-CG2 3.48Å; I867-H869 PolarHBondContact O-N 3.36Å; I867-L870 PolarHBondContact O-N 3.22Å; I867-V871 HydrophobicContact CG1-CG2 4.4Å; I867-V871 WeakPolarHBondContact O-CG2 3.38Å; I867-V871 PolarHBondContact O-N 3.13Å
868	A	93.3	Very high	94	Very high	0 Å²	0	3 Å²	3	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-64.6	-44.8	-178	0	0	0	0	0	110.9	Y864 V865 Q872 M947 L948	Y864-A868 HydrophobicContact CE1-CB 4.3Å; Y864-A868 WeakPolarHBondContact O-CB 3.11Å; Y864-A868 PolarHBondContact O-N 3.03Å; V865-A868 PolarHBondContact O-N 3.4Å; A868-Q872 VanDerWaalsContact O-CG 3.27Å; A868-Q872 WeakPolarHBondContact O-CG 3.49Å; A868-Q872 PolarHBondContact O-N 3.1Å; A868-Q872 VanDerWaalsContact O-N 3.15Å; A868-M947 HydrophobicContact CB-CB 3.8Å; A868-M947 HydrophobicContact CB-CE 4.45Å; A868-M947 HydrophobicContact CB-SD 4.28Å; A868-L948 HydrophobicContact CB-CD1 4.2Å; A868-L948 HydrophobicContact CB-CD2 4.03Å; A868-L948 HydrophobicContact CB-CG 3.88Å
869	H	93.9	Very high	94.1	Very high	16 Å²	16	3.4 Å²	3.4	7%	0.074	2%	0.016	C	C	.	.	H	α-helix	trans	-67.1	-41.5	175	-171.7	-79.5	0	0	0	111.5	V865 I867 V871 Q872 Y873 Y920 W956 D1011	V865-H869 WeakPolarHBondContact O-CB 3.25Å; V865-H869 PolarHBondContact O-N 3.15Å; I867-H869 PolarHBondContact O-N 3.36Å; H869-V871 PolarHBondContact O-N 3.49Å; H869-Q872 PolarHBondContact O-N 3.09Å; H869-Y873 VanDerWaalsContact O-CB 3.28Å; H869-Y873 WeakPolarHBondContact O-CB 3.46Å; H869-Y873 PolarHBondContact O-N 3.26Å; H869-Y920 HydrophobicContact CB-CE1 3.86Å; H869-Y920 AromaticContact CE1-CZ 3.94Å; H869-Y920 AromaticContact CG-CE1 3.73Å; H869-Y920 AromaticContact CG-CZ 3.81Å; H869-Y920 AromaticContact ND1-CE1 3.39Å; H869-Y920 WeakPolarHBondContact ND1-CE1 3.44Å; H869-Y920 AromaticContact ND1-CZ 3.57Å; H869-W956 AromaticContact NE2-CH2 3.83Å; H869-W956 AromaticContact NE2-CZ2 3.9Å; H869-D1011 IonicContact CE1-OD2 2.75Å; H869-D1011 PolarHBondContact CE1-OD2 2.89Å; H869-D1011 IonicContact NE2-OD2 2.89Å; H869-D1011 PolarHBondContact NE2-OD2 3.5Å
870	L	95.1	Very high	94.1	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-54.8	-48.7	174.2	177.2	151.1	0	0	0	112.3	T362 V363 R866 I867 Y873 F874 I917 S921	T362-L870 HydrophobicContact CG2-CD1 4Å; V363-L870 HydrophobicContact CG2-CD2 3.47Å; V363-L870 VanDerWaalsContact CG2-CD2 3.47Å; R866-L870 VanDerWaalsContact O-CB 3.25Å; R866-L870 WeakPolarHBondContact O-CB 3.43Å; R866-L870 PolarHBondContact O-N 2.93Å; I867-L870 PolarHBondContact O-N 3.22Å; L870-Y873 PolarHBondContact O-N 2.49Å; L870-F874 HydrophobicContact CD1-CE2 4.43Å; L870-F874 HydrophobicContact CD2-CD2 3.75Å; L870-F874 HydrophobicContact CD2-CE2 4.08Å; L870-F874 HydrophobicContact CG-CD2 3.87Å; L870-F874 HydrophobicContact CG-CE2 4.04Å; L870-F874 WeakPolarHBondContact O-CB 3.31Å; L870-F874 WeakPolarHBondContact O-CD2 3.09Å; L870-F874 PolarHBondContact O-N 3.31Å; L870-I917 HydrophobicContact CB-CD1 4.45Å; L870-I917 HydrophobicContact CB-CG1 4.32Å; L870-I917 HydrophobicContact CD1-CG1 4.28Å; L870-I917 HydrophobicContact CG-CG1 3.98Å; L870-S921 VanDerWaalsContact CD1-OG 3.31Å; L870-S921 WeakPolarHBondContact CD1-OG 3.27Å
871	V	93.8	Very high	94.1	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-62.9	-47.6	-179.8	170.6	0	0	0	0	110.8	I288 F291 I867 H869 Y873 F874 F875 L948	I288-V871 HydrophobicContact CD1-CG2 3.71Å; I288-V871 HydrophobicContact CG1-CG1 3.91Å; I288-V871 HydrophobicContact CG1-CG2 3.84Å; F291-V871 HydrophobicContact CD2-CG1 4.13Å; F291-V871 HydrophobicContact CE2-CG1 4.32Å; I867-V871 HydrophobicContact CG1-CG2 4.4Å; I867-V871 WeakPolarHBondContact O-CG2 3.38Å; I867-V871 PolarHBondContact O-N 3.13Å; H869-V871 PolarHBondContact O-N 3.49Å; V871-Y873 PolarHBondContact O-N 2.99Å; V871-F874 PolarHBondContact O-N 3.41Å; V871-F875 HydrophobicContact CG1-CD2 3.99Å; V871-F875 HydrophobicContact CG1-CE2 3.9Å; V871-F875 VanDerWaalsContact O-CD2 3.3Å; V871-F875 WeakPolarHBondContact O-CD2 3.43Å; V871-F875 PolarHBondContact O-N 3.41Å; V871-L948 HydrophobicContact CB-CD2 4.32Å; V871-L948 HydrophobicContact CG1-CD2 4.3Å
872	Q	94	Very high	94.2	Very high	5 Å²	5	2.6 Å²	2.6	2%	0.023	1%	0.013	C	C	.	.	H	α-helix	trans	-60	-46.5	178.4	-67.3	-71.5	-1.7	0	0	111.3	A868 H869 F874 F875 Y876 M947 L948 W956	A868-Q872 VanDerWaalsContact O-CG 3.27Å; A868-Q872 WeakPolarHBondContact O-CG 3.49Å; A868-Q872 PolarHBondContact O-N 3.1Å; A868-Q872 VanDerWaalsContact O-N 3.15Å; H869-Q872 PolarHBondContact O-N 3.09Å; Q872-F874 PolarHBondContact O-N 2.94Å; Q872-F875 PolarHBondContact O-N 3.49Å; Q872-Y876 WeakPolarHBondContact O-CB 3.34Å; Q872-Y876 PolarHBondContact O-N 2.92Å; Q872-M947 PolarHBondContact NE2-O 3.03Å; Q872-L948 HydrophobicContact CG-CD2 4.03Å; Q872-W956 HydrophobicContact CB-CD2 4.2Å; Q872-W956 HydrophobicContact CB-CG 4.14Å
873	Y	95.3	Very high	94.2	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-62.1	-41	178	-179.9	-93.2	0	0	0	112.3	H869 L870 V871 F875 Y876 K877 I917 V1004 L1008	H869-Y873 VanDerWaalsContact O-CB 3.28Å; H869-Y873 WeakPolarHBondContact O-CB 3.46Å; H869-Y873 PolarHBondContact O-N 3.26Å; L870-Y873 PolarHBondContact O-N 2.49Å; V871-Y873 PolarHBondContact O-N 2.99Å; Y873-F875 PolarHBondContact O-N 3.33Å; Y873-Y876 HydrophobicContact CD2-CD1 4.11Å; Y873-Y876 HydrophobicContact CD2-CE1 4.4Å; Y873-Y876 HydrophobicContact CE2-CD1 4.37Å; Y873-Y876 HydrophobicContact CE2-CE1 4.3Å; Y873-Y876 PolarHBondContact O-N 3.47Å; Y873-K877 HydrophobicContact CD1-CD 3.94Å; Y873-K877 HydrophobicContact CE1-CB 4.4Å; Y873-K877 HydrophobicContact CE1-CD 3.58Å; Y873-K877 WeakPolarHBondContact O-CB 3.36Å; Y873-K877 PolarHBondContact O-N 3.06Å; Y873-I917 HydrophobicContact CD1-CB 3.86Å; Y873-I917 HydrophobicContact CD1-CD1 3.49Å; Y873-I917 VanDerWaalsContact CD1-CD1 3.49Å; Y873-I917 HydrophobicContact CD1-CG1 3.53Å; Y873-I917 HydrophobicContact CD1-CG2 4.49Å; Y873-I917 HydrophobicContact CE1-CB 3.82Å; Y873-I917 HydrophobicContact CE1-CD1 4.12Å; Y873-I917 HydrophobicContact CE1-CG1 4.04Å; Y873-I917 HydrophobicContact CE1-CG2 4.37Å; Y873-I917 HydrophobicContact CG-CD1 3.73Å; Y873-I917 HydrophobicContact CG-CG1 4.26Å; Y873-V1004 WeakPolarHBondContact CE2-O 3.33Å; Y873-V1004 PolarHBondContact OH-O 2.87Å; Y873-V1004 VanDerWaalsContact OH-O 3.05Å; Y873-L1008 HydrophobicContact CD2-CD1 4.28Å; Y873-L1008 HydrophobicContact CE2-CB 3.82Å; Y873-L1008 HydrophobicContact CE2-CD1 4.32Å; Y873-L1008 HydrophobicContact CE2-CG 4.46Å
874	F	93.6	Very high	94.3	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-62.4	-40.6	178.3	-103.8	-82.5	0	0	0	112.7	P356 M359 T362 L870 V871 Q872 K877 N878 I917	P356-F874 HydrophobicContact CB-CD1 4.04Å; M359-F874 HydrophobicContact CB-CB 4.3Å; M359-F874 HydrophobicContact CB-CD1 3.75Å; M359-F874 HydrophobicContact CB-CE1 4.19Å; M359-F874 HydrophobicContact CB-CG 3.94Å; M359-F874 HydrophobicContact CG-CB 4.15Å; M359-F874 HydrophobicContact CG-CD1 4.4Å; M359-F874 HydrophobicContact CG-CD2 4.43Å; M359-F874 HydrophobicContact CG-CG 4.08Å; M359-F874 HydrophobicContact SD-CB 4.38Å; T362-F874 HydrophobicContact CG2-CE2 3.85Å; T362-F874 HydrophobicContact CG2-CZ 4.02Å; T362-F874 WeakPolarHBondContact OG1-CZ 3.36Å; L870-F874 HydrophobicContact CD1-CE2 4.43Å; L870-F874 HydrophobicContact CD2-CD2 3.75Å; L870-F874 HydrophobicContact CD2-CE2 4.08Å; L870-F874 HydrophobicContact CG-CD2 3.87Å; L870-F874 HydrophobicContact CG-CE2 4.04Å; L870-F874 WeakPolarHBondContact O-CB 3.31Å; L870-F874 WeakPolarHBondContact O-CD2 3.09Å; L870-F874 PolarHBondContact O-N 3.31Å; V871-F874 PolarHBondContact O-N 3.41Å; Q872-F874 PolarHBondContact O-N 2.94Å; F874-K877 HydrophobicContact CD1-CD 4.45Å; F874-N878 PolarHBondContact O-N 3.32Å; F874-N878 PolarHBondContact O-ND2 3.02Å; F874-I917 HydrophobicContact CD2-CG1 4.33Å; F874-I917 HydrophobicContact CD2-CG2 4.36Å; F874-I917 HydrophobicContact CE2-CG1 4.18Å; F874-I917 HydrophobicContact CE2-CG2 3.54Å; F874-I917 HydrophobicContact CZ-CG2 3.93Å
875	F	93.4	Very high	94.3	Very high	1 Å²	1	3.1 Å²	3.1	0%	0.004	2%	0.015	C	C	.	.	H	α-helix	trans	-70.6	-45.1	175.1	-80	-66.2	0	0	0	111.6	F291 Y295 P356 M359 V871 Q872 Y873 K877 N878 L879	F291-F875 HydrophobicContact CB-CD2 4.46Å; F291-F875 HydrophobicContact CB-CE2 3.8Å; F291-F875 HydrophobicContact CB-CZ 3.91Å; F291-F875 HydrophobicContact CD2-CD2 4.22Å; F291-F875 HydrophobicContact CD2-CE2 4Å; F291-F875 HydrophobicContact CG-CE2 4.44Å; Y295-F875 AromaticContact CD1-CD1 3.66Å; Y295-F875 HydrophobicContact CD1-CD1 3.66Å; Y295-F875 HydrophobicContact CD1-CE1 4.1Å; Y295-F875 AromaticContact CD2-CD1 3.82Å; Y295-F875 HydrophobicContact CD2-CD1 3.82Å; Y295-F875 HydrophobicContact CD2-CE1 4Å; Y295-F875 HydrophobicContact CE1-CB 4.19Å; Y295-F875 AromaticContact CE1-CD1 3.61Å; Y295-F875 HydrophobicContact CE1-CD1 3.61Å; Y295-F875 HydrophobicContact CE1-CE1 4.49Å; Y295-F875 HydrophobicContact CE1-CG 4.33Å; Y295-F875 HydrophobicContact CE2-CB 4.22Å; Y295-F875 AromaticContact CE2-CD1 3.76Å; Y295-F875 HydrophobicContact CE2-CD1 3.76Å; Y295-F875 HydrophobicContact CE2-CE1 4.38Å; Y295-F875 HydrophobicContact CE2-CG 4.11Å; Y295-F875 AromaticContact CG-CD1 3.8Å; Y295-F875 HydrophobicContact CG-CD1 3.8Å; Y295-F875 AromaticContact CG-CE1 3.88Å; Y295-F875 HydrophobicContact CG-CE1 3.88Å; Y295-F875 AromaticContact CZ-CD1 3.68Å; P356-F875 HydrophobicContact CG-CD1 4.17Å; P356-F875 HydrophobicContact CG-CE1 3.98Å; P356-F875 HydrophobicContact CG-CZ 4.39Å; M359-F875 HydrophobicContact CE-CZ 4.31Å; M359-F875 HydrophobicContact SD-CE2 3.96Å; M359-F875 HydrophobicContact SD-CZ 4.24Å; V871-F875 HydrophobicContact CG1-CD2 3.99Å; V871-F875 HydrophobicContact CG1-CE2 3.9Å; V871-F875 VanDerWaalsContact O-CD2 3.3Å; V871-F875 WeakPolarHBondContact O-CD2 3.43Å; V871-F875 PolarHBondContact O-N 3.41Å; Q872-F875 PolarHBondContact O-N 3.49Å; Y873-F875 PolarHBondContact O-N 3.33Å; F875-K877 PolarHBondContact O-N 3.39Å; F875-N878 PolarHBondContact O-N 3.44Å; F875-L879 WeakPolarHBondContact O-CB 3.27Å; F875-L879 PolarHBondContact O-N 2.89Å
876	Y	95.3	Very high	94.4	Very high	1 Å²	1	4 Å²	4	0%	0.004	2%	0.018	C	C	.	.	H	α-helix	trans	-55.7	-50.9	176.9	155.6	-95.5	0	0	0	112.4	Q872 Y873 N878 L879 C880 W956 L959 A960 E963 V1004 K1007	Q872-Y876 WeakPolarHBondContact O-CB 3.34Å; Q872-Y876 PolarHBondContact O-N 2.92Å; Y873-Y876 HydrophobicContact CD2-CD1 4.11Å; Y873-Y876 HydrophobicContact CD2-CE1 4.4Å; Y873-Y876 HydrophobicContact CE2-CD1 4.37Å; Y873-Y876 HydrophobicContact CE2-CE1 4.3Å; Y873-Y876 PolarHBondContact O-N 3.47Å; Y876-N878 VanDerWaalsContact C-N 3.3Å; Y876-N878 PolarHBondContact O-N 2.97Å; Y876-L879 PolarHBondContact O-N 2.95Å; Y876-C880 WeakPolarHBondContact CE2-SG 3.4Å; Y876-C880 WeakPolarHBondContact O-CB 3.27Å; Y876-C880 PolarHBondContact O-N 3.06Å; Y876-C880 PolarHBondContact O-SG 3.33Å; Y876-W956 HydrophobicContact CD1-CE3 4.33Å; Y876-W956 HydrophobicContact CD1-CZ3 4.11Å; Y876-W956 AromaticContact CD2-CE3 3.99Å; Y876-W956 HydrophobicContact CD2-CE3 3.99Å; Y876-W956 HydrophobicContact CD2-CZ3 4.38Å; Y876-W956 AromaticContact CG-CE3 3.77Å; Y876-W956 HydrophobicContact CG-CE3 3.77Å; Y876-W956 HydrophobicContact CG-CZ3 4.02Å; Y876-L959 HydrophobicContact CD2-CD2 4.41Å; Y876-L959 HydrophobicContact CD2-CG 4.48Å; Y876-L959 HydrophobicContact CE2-CD2 4.01Å; Y876-L959 HydrophobicContact CE2-CG 4.01Å; Y876-A960 HydrophobicContact CD2-CB 3.77Å; Y876-A960 HydrophobicContact CE2-CB 4.41Å; Y876-E963 WeakPolarHBondContact CE2-OE2 3.47Å; Y876-E963 VanDerWaalsContact CZ-OE2 3.23Å; Y876-E963 VanDerWaalsContact OH-CD 3.22Å; Y876-E963 PolarHBondContact OH-OE1 3.28Å; Y876-E963 PolarHBondContact OH-OE2 3.13Å; Y876-V1004 HydrophobicContact CE1-CB 4.47Å; Y876-V1004 HydrophobicContact CE1-CG1 4.21Å; Y876-K1007 HydrophobicContact CE1-CG 4.06Å
877	K	94.3	Very high	94.5	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-65.5	-32.1	-176.9	82.6	-170.6	-176.6	79.5	0	112.9	Y873 F874 F875 F881 Y908 N909 T913 V1004	Y873-K877 HydrophobicContact CD1-CD 3.94Å; Y873-K877 HydrophobicContact CE1-CB 4.4Å; Y873-K877 HydrophobicContact CE1-CD 3.58Å; Y873-K877 WeakPolarHBondContact O-CB 3.36Å; Y873-K877 PolarHBondContact O-N 3.06Å; F874-K877 HydrophobicContact CD1-CD 4.45Å; F875-K877 PolarHBondContact O-N 3.39Å; K877-F881 VanDerWaalsContact O-CB 3.31Å; K877-F881 WeakPolarHBondContact O-CB 3.49Å; K877-F881 PolarHBondContact O-N 2.91Å; K877-Y908 PolarHBondContact O-OH 2.93Å; K877-N909 PolarHBondContact NZ-OD1 3.02Å; K877-T913 PolarHBondContact NZ-OG1 3.42Å; K877-V1004 HydrophobicContact CB-CG1 4.32Å
878	N	93.2	Very high	94.6	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-79.2	-36.4	179.3	-80.9	-80.7	0	0	0	111.5	F353 P356 F874 F875 Y876 F881 I882 N909	F353-N878 WeakPolarHBondContact O-CB 3.48Å; F353-N878 PolarHBondContact O-OD1 3.24Å; F353-N878 VanDerWaalsContact O-OD1 3.07Å; P356-N878 WeakPolarHBondContact CB-ND2 3.3Å; F874-N878 PolarHBondContact O-N 3.32Å; F874-N878 PolarHBondContact O-ND2 3.02Å; F875-N878 PolarHBondContact O-N 3.44Å; Y876-N878 VanDerWaalsContact C-N 3.3Å; Y876-N878 PolarHBondContact O-N 2.97Å; N878-F881 PolarHBondContact O-N 3.4Å; N878-I882 WeakPolarHBondContact O-CG2 3.48Å; N878-I882 PolarHBondContact O-N 3.43Å; N878-N909 PolarHBondContact OD1-ND2 3.16Å; N878-N909 PolarHBondContact OD1-OD1 3.5Å
879	L	94.4	Very high	94.6	Very high	10 Å²	10	6.4 Å²	6.4	5%	0.052	3%	0.03	C	C	.	.	H	α-helix	trans	-66.9	-43.4	173.8	-175.7	55.9	0	0	0	111.6	Y295 I354 F875 Y876 F881 I882 L883 T957 A960	Y295-L879 HydrophobicContact CE1-CB 4.25Å; Y295-L879 HydrophobicContact CE1-CD2 4.48Å; I354-L879 HydrophobicContact CD1-CD1 4.2Å; I354-L879 HydrophobicContact CG1-CD1 4.36Å; F875-L879 WeakPolarHBondContact O-CB 3.27Å; F875-L879 PolarHBondContact O-N 2.89Å; Y876-L879 PolarHBondContact O-N 2.95Å; L879-F881 PolarHBondContact O-N 3.27Å; L879-I882 HydrophobicContact CD1-CG2 4.43Å; L879-I882 PolarHBondContact O-N 3.47Å; L879-L883 VanDerWaalsContact O-CB 3.26Å; L879-L883 WeakPolarHBondContact O-CB 3.47Å; L879-L883 PolarHBondContact O-N 2.83Å; L879-T957 HydrophobicContact CD2-CG2 3.73Å; L879-A960 HydrophobicContact CB-CB 3.86Å; L879-A960 HydrophobicContact CD2-CB 3.75Å; L879-A960 HydrophobicContact CG-CB 3.81Å
880	C	95.2	Very high	94.7	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-56.9	-40.3	172.9	-71.5	0	0	0	0	112.2	Y876 P884 A960 F967 L1000 V1004	Y876-C880 WeakPolarHBondContact CE2-SG 3.4Å; Y876-C880 WeakPolarHBondContact O-CB 3.27Å; Y876-C880 PolarHBondContact O-N 3.06Å; Y876-C880 PolarHBondContact O-SG 3.33Å; C880-P884 WeakPolarHBondContact O-CD 3.45Å; C880-A960 WeakPolarHBondContact SG-CA 3.5Å; C880-F967 HydrophobicContact CB-CE2 4.2Å; C880-L1000 HydrophobicContact CB-CD1 3.68Å; C880-V1004 HydrophobicContact CB-CG1 4.48Å
881	F	93.9	Very high	94.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-68.2	-48.2	-179.2	167.8	-120.4	0	0	0	112.6	F353 K877 N878 L879 P884 Y900 L905 Y908 F997 L1000	F353-F881 HydrophobicContact CB-CD1 4.17Å; F353-F881 HydrophobicContact CB-CE1 3.76Å; F353-F881 HydrophobicContact CD1-CE1 4.48Å; F353-F881 HydrophobicContact CG-CE1 4.05Å; K877-F881 VanDerWaalsContact O-CB 3.31Å; K877-F881 WeakPolarHBondContact O-CB 3.49Å; K877-F881 PolarHBondContact O-N 2.91Å; N878-F881 PolarHBondContact O-N 3.4Å; L879-F881 PolarHBondContact O-N 3.27Å; F881-P884 WeakPolarHBondContact O-CD 3.4Å; F881-Y900 HydrophobicContact CD2-CD2 4.09Å; F881-Y900 AromaticContact CD2-CE2 3.63Å; F881-Y900 HydrophobicContact CD2-CE2 3.63Å; F881-Y900 AromaticContact CE2-CD2 3.44Å; F881-Y900 HydrophobicContact CE2-CD2 3.44Å; F881-Y900 VanDerWaalsContact CE2-CD2 3.44Å; F881-Y900 AromaticContact CE2-CE2 3.48Å; F881-Y900 HydrophobicContact CE2-CE2 3.48Å; F881-Y900 VanDerWaalsContact CE2-CE2 3.48Å; F881-Y900 HydrophobicContact CE2-CG 4.17Å; F881-Y900 HydrophobicContact CZ-CD2 4.06Å; F881-Y900 HydrophobicContact CZ-CE2 4.33Å; F881-Y900 VanDerWaalsContact O-CE2 3.29Å; F881-Y900 WeakPolarHBondContact O-CE2 3.44Å; F881-Y900 PolarHBondContact O-OH 3.04Å; F881-Y900 VanDerWaalsContact O-OH 3.04Å; F881-L905 HydrophobicContact CE1-CD2 4.2Å; F881-L905 HydrophobicContact CE2-CD2 4.09Å; F881-L905 HydrophobicContact CZ-CD2 3.37Å; F881-Y908 HydrophobicContact CB-CD1 4.33Å; F881-Y908 HydrophobicContact CB-CE1 3.6Å; F881-Y908 HydrophobicContact CD1-CD1 4.02Å; F881-Y908 HydrophobicContact CD1-CE1 4.05Å; F881-Y908 HydrophobicContact CD2-CD1 4.1Å; F881-Y908 HydrophobicContact CD2-CE1 4.15Å; F881-Y908 HydrophobicContact CD2-CG 4.45Å; F881-Y908 HydrophobicContact CE1-CD1 4.24Å; F881-Y908 HydrophobicContact CE2-CD1 4.32Å; F881-Y908 HydrophobicContact CE2-CG 4.46Å; F881-Y908 AromaticContact CG-CD1 3.89Å; F881-Y908 HydrophobicContact CG-CD1 3.89Å; F881-Y908 AromaticContact CG-CE1 3.68Å; F881-Y908 HydrophobicContact CG-CE1 3.68Å; F881-Y908 HydrophobicContact CZ-CD1 4.34Å; F881-F997 HydrophobicContact CD2-CE2 4.31Å; F881-F997 HydrophobicContact CE2-CD2 4.16Å; F881-F997 AromaticContact CE2-CE2 3.8Å; F881-F997 HydrophobicContact CE2-CE2 3.8Å; F881-L1000 HydrophobicContact CB-CD1 4.44Å; F881-L1000 HydrophobicContact CB-CD2 3.86Å; F881-L1000 HydrophobicContact CD2-CD2 3.52Å; F881-L1000 HydrophobicContact CG-CD2 4.16Å
882	I	94.4	Very high	94.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-82.4	-22.3	-173.6	-159.9	66.4	0	0	0	113.6	F351 F353 I354 N878 L879 Q885 F886	F351-I882 HydrophobicContact CB-CG1 4.32Å; F351-I882 HydrophobicContact CD1-CD1 4.04Å; F351-I882 HydrophobicContact CD1-CG1 3.97Å; F353-I882 HydrophobicContact CB-CD1 4.42Å; I354-I882 HydrophobicContact CB-CG2 3.95Å; I354-I882 HydrophobicContact CD1-CG2 4.35Å; I354-I882 HydrophobicContact CG1-CG2 3.86Å; N878-I882 WeakPolarHBondContact O-CG2 3.48Å; N878-I882 PolarHBondContact O-N 3.43Å; L879-I882 HydrophobicContact CD1-CG2 4.43Å; L879-I882 PolarHBondContact O-N 3.47Å; I882-Q885 HydrophobicContact CD1-CB 4.14Å; I882-Q885 HydrophobicContact CD1-CG 4.31Å; I882-Q885 WeakPolarHBondContact O-CB 3.38Å; I882-Q885 PolarHBondContact O-N 3.11Å; I882-Q885 VanDerWaalsContact O-N 3.13Å; I882-F886 PolarHBondContact O-N 3.03Å
883	L	95.4	Very high	94.1	Very high	15 Å²	15	16.3 Å²	16.3	8%	0.079	8%	0.081	C	C	.	.	H	α-helix	trans	-62.3	-45.7	-177.2	-177	63.7	0	0	0	113.3	L879 Q885 F886 L887 A961	L879-L883 VanDerWaalsContact O-CB 3.26Å; L879-L883 WeakPolarHBondContact O-CB 3.47Å; L879-L883 PolarHBondContact O-N 2.83Å; L883-Q885 VanDerWaalsContact C-N 3.25Å; L883-Q885 PolarHBondContact O-N 3.07Å; L883-F886 HydrophobicContact CD1-CD1 4.03Å; L883-F886 WeakPolarHBondContact O-CB 3.19Å; L883-F886 PolarHBondContact O-N 3.28Å; L883-F886 VanDerWaalsContact O-N 3.17Å; L883-L887 HydrophobicContact CG-CD1 4.38Å; L883-L887 WeakPolarHBondContact O-CG 3.4Å; L883-L887 PolarHBondContact O-N 3.08Å; L883-A961 HydrophobicContact CD2-CB 4.32Å; L883-A961 VanDerWaalsContact CD2-O 3.3Å; L883-A961 WeakPolarHBondContact CD2-O 2.99Å
884	P	96.1	Very high	94	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-57.5	-37.3	171	-25	32.1	0	0	0	113.2	C880 F881 F886 L887 Y888 L899 Y900 F967 F968 V996	C880-P884 WeakPolarHBondContact O-CD 3.45Å; F881-P884 WeakPolarHBondContact O-CD 3.4Å; P884-F886 VanDerWaalsContact C-N 3.33Å; P884-F886 PolarHBondContact O-N 3.23Å; P884-L887 PolarHBondContact O-N 2.98Å; P884-Y888 VanDerWaalsContact O-CB 3.31Å; P884-Y888 WeakPolarHBondContact O-CB 3.47Å; P884-Y888 PolarHBondContact O-N 2.86Å; P884-L899 HydrophobicContact CB-CD2 3.95Å; P884-Y900 WeakPolarHBondContact CB-OH 3.34Å; P884-F967 HydrophobicContact CG-CB 4.31Å; P884-F968 HydrophobicContact CB-CB 4.1Å; P884-F968 HydrophobicContact CB-CD2 4.2Å; P884-V996 HydrophobicContact CB-CG1 3.75Å; P884-V996 HydrophobicContact CG-CG1 3.99Å
885	Q	94.4	Very high	93.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67.9	-34	178.5	-173.9	165.8	-10.9	0	0	112.3	I882 L883 Q889 Y900	I882-Q885 HydrophobicContact CD1-CB 4.14Å; I882-Q885 HydrophobicContact CD1-CG 4.31Å; I882-Q885 WeakPolarHBondContact O-CB 3.38Å; I882-Q885 PolarHBondContact O-N 3.11Å; I882-Q885 VanDerWaalsContact O-N 3.13Å; L883-Q885 VanDerWaalsContact C-N 3.25Å; L883-Q885 PolarHBondContact O-N 3.07Å; Q885-Q889 WeakPolarHBondContact O-CG 3.25Å; Q885-Q889 PolarHBondContact O-NE2 3.42Å; Q885-Q889 VanDerWaalsContact O-NE2 3.1Å; Q885-Y900 HydrophobicContact CB-CE2 4.16Å
886	F	95.6	Very high	93.6	Very high	26 Å²	26	20.8 Å²	20.8	11%	0.114	11%	0.109	C	C	.	.	H	α-helix	trans	-67.6	-47.8	169.8	166.2	-100.3	0	0	0	111.9	K302 C306 F351 I882 L883 P884 Y888 Q889 F890	K302-F886 HydrophobicContact CB-CD2 3.95Å; K302-F886 HydrophobicContact CB-CE2 3.97Å; K302-F886 HydrophobicContact CD-CD2 4.16Å; K302-F886 HydrophobicContact CD-CG 4.28Å; K302-F886 HydrophobicContact CG-CD2 3.87Å; K302-F886 HydrophobicContact CG-CE2 3.86Å; K302-F886 HydrophobicContact CG-CG 4.38Å; K302-F886 HydrophobicContact CG-CZ 4.37Å; K302-F886 VanDerWaalsContact NZ-CD1 3.29Å; C306-F886 WeakPolarHBondContact SG-CE2 3.32Å; F351-F886 HydrophobicContact CE1-CB 3.89Å; F351-F886 HydrophobicContact CE2-CD2 4.03Å; F351-F886 HydrophobicContact CZ-CB 4.03Å; F351-F886 AromaticContact CZ-CD2 3.82Å; F351-F886 HydrophobicContact CZ-CD2 3.82Å; F351-F886 HydrophobicContact CZ-CG 4.43Å; I882-F886 PolarHBondContact O-N 3.03Å; L883-F886 HydrophobicContact CD1-CD1 4.03Å; L883-F886 WeakPolarHBondContact O-CB 3.19Å; L883-F886 PolarHBondContact O-N 3.28Å; L883-F886 VanDerWaalsContact O-N 3.17Å; P884-F886 VanDerWaalsContact C-N 3.33Å; P884-F886 PolarHBondContact O-N 3.23Å; F886-Y888 VanDerWaalsContact C-N 3.3Å; F886-Y888 PolarHBondContact O-N 3.33Å; F886-Q889 WeakPolarHBondContact O-CB 3.25Å; F886-Q889 PolarHBondContact O-N 2.98Å; F886-Q889 VanDerWaalsContact O-N 3.13Å; F886-F890 HydrophobicContact CD1-CE2 4.27Å; F886-F890 AromaticContact CE1-CE2 3.72Å; F886-F890 HydrophobicContact CE1-CE2 3.72Å; F886-F890 HydrophobicContact CE1-CZ 4.28Å; F886-F890 HydrophobicContact CE2-CE2 4.15Å; F886-F890 AromaticContact CZ-CE2 3.65Å; F886-F890 HydrophobicContact CZ-CE2 3.65Å; F886-F890 AromaticContact CZ-CZ 3.92Å; F886-F890 HydrophobicContact CZ-CZ 3.92Å
887	L	95.5	Very high	93.4	Very high	25 Å²	25	23.8 Å²	23.8	13%	0.131	12%	0.123	C	C	.	.	H	α-helix	trans	-62.7	-37.2	178.7	-70	175.1	0	0	0	112	L883 P884 Q889 F890 F891 F968 F969	L883-L887 HydrophobicContact CG-CD1 4.38Å; L883-L887 WeakPolarHBondContact O-CG 3.4Å; L883-L887 PolarHBondContact O-N 3.08Å; P884-L887 PolarHBondContact O-N 2.98Å; L887-Q889 PolarHBondContact O-N 3.03Å; L887-Q889 VanDerWaalsContact O-N 3.17Å; L887-F890 WeakPolarHBondContact O-CB 3.45Å; L887-F890 WeakPolarHBondContact O-CD2 3.39Å; L887-F890 PolarHBondContact O-N 3.39Å; L887-F890 VanDerWaalsContact O-N 3.13Å; L887-F891 WeakPolarHBondContact O-CD2 3.48Å; L887-F968 HydrophobicContact CB-CB 4.48Å; L887-F968 HydrophobicContact CB-CD1 3.78Å; L887-F968 HydrophobicContact CB-CD2 4.17Å; L887-F968 HydrophobicContact CB-CE1 4.1Å; L887-F968 HydrophobicContact CB-CE2 4.43Å; L887-F968 HydrophobicContact CB-CG 3.84Å; L887-F968 HydrophobicContact CB-CZ 4.41Å; L887-F968 HydrophobicContact CD1-CB 3.94Å; L887-F968 HydrophobicContact CD1-CD1 4.09Å; L887-F968 HydrophobicContact CD1-CG 4.11Å; L887-F969 HydrophobicContact CD1-CE2 4.17Å
888	Y	95.6	Very high	93.3	Very high	36 Å²	36	24.2 Å²	24.2	14%	0.141	13%	0.126	C	C	.	.	H	α-helix	trans	-58.6	-28.9	176	-172.5	-114.1	0	0	0	113	P884 F886 F890 F891 C892 Q897 L899 F968 F992	P884-Y888 VanDerWaalsContact O-CB 3.31Å; P884-Y888 WeakPolarHBondContact O-CB 3.47Å; P884-Y888 PolarHBondContact O-N 2.86Å; F886-Y888 VanDerWaalsContact C-N 3.3Å; F886-Y888 PolarHBondContact O-N 3.33Å; Y888-F890 PolarHBondContact O-N 2.81Å; Y888-F891 PolarHBondContact O-N 3.43Å; Y888-C892 HydrophobicContact CD1-CB 4.43Å; Y888-C892 HydrophobicContact CE1-CB 4.13Å; Y888-C892 PolarHBondContact O-N 3.14Å; Y888-Q897 HydrophobicContact CE1-CB 4.43Å; Y888-Q897 HydrophobicContact CE1-CG 4.09Å; Y888-L899 HydrophobicContact CD1-CB 3.97Å; Y888-L899 HydrophobicContact CD1-CD1 4.3Å; Y888-L899 HydrophobicContact CD2-CD1 3.91Å; Y888-L899 HydrophobicContact CE1-CD1 4.49Å; Y888-L899 HydrophobicContact CE2-CD1 4.11Å; Y888-L899 HydrophobicContact CG-CB 4.15Å; Y888-L899 HydrophobicContact CG-CD1 4Å; Y888-L899 HydrophobicContact CG-CG 4.49Å; Y888-F968 AromaticContact CD2-CE2 3.93Å; Y888-F968 HydrophobicContact CD2-CE2 3.93Å; Y888-F968 HydrophobicContact CD2-CZ 4.39Å; Y888-F968 HydrophobicContact CG-CE2 4.36Å; Y888-F992 HydrophobicContact CD2-CE1 4.28Å; Y888-F992 HydrophobicContact CE2-CD1 4.43Å; Y888-F992 HydrophobicContact CE2-CE1 4.48Å
889	Q	94.9	Very high	93.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-27.3	179.5	-57.6	-48.9	-60.9	0	0	113.3	F347 L350 F351 Q885 F886 L887 F891 C892 F894 Q897	F347-Q889 HydrophobicContact CE1-CG 4.16Å; L350-Q889 HydrophobicContact CD2-CG 4.48Å; F351-Q889 HydrophobicContact CE1-CG 4.29Å; F351-Q889 HydrophobicContact CZ-CG 3.86Å; Q885-Q889 WeakPolarHBondContact O-CG 3.25Å; Q885-Q889 PolarHBondContact O-NE2 3.42Å; Q885-Q889 VanDerWaalsContact O-NE2 3.1Å; F886-Q889 WeakPolarHBondContact O-CB 3.25Å; F886-Q889 PolarHBondContact O-N 2.98Å; F886-Q889 VanDerWaalsContact O-N 3.13Å; L887-Q889 PolarHBondContact O-N 3.03Å; L887-Q889 VanDerWaalsContact O-N 3.17Å; Q889-F891 PolarHBondContact O-N 2.99Å; Q889-C892 PolarHBondContact O-N 3.42Å; Q889-C892 PolarHBondContact OE1-SG 2.98Å; Q889-F894 HydrophobicContact CB-CD1 4.01Å; Q889-F894 HydrophobicContact CB-CE1 4.42Å; Q889-F894 WeakPolarHBondContact O-CD1 3.21Å; Q889-F894 PolarHBondContact O-N 3.4Å; Q889-F894 VanDerWaalsContact O-N 3.1Å; Q889-Q897 PolarHBondContact NE2-O 3.02Å
890	F	94.5	Very high	93.2	Very high	87 Å²	87	24 Å²	24	38%	0.382	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-26.5	174.5	-69.3	-96.1	0	0	0	112.2	L309 F886 L887 Y888 F894	L309-F890 HydrophobicContact CD1-CE1 3.72Å; L309-F890 HydrophobicContact CD1-CZ 4.25Å; F886-F890 HydrophobicContact CD1-CE2 4.27Å; F886-F890 AromaticContact CE1-CE2 3.72Å; F886-F890 HydrophobicContact CE1-CE2 3.72Å; F886-F890 HydrophobicContact CE1-CZ 4.28Å; F886-F890 HydrophobicContact CE2-CE2 4.15Å; F886-F890 AromaticContact CZ-CE2 3.65Å; F886-F890 HydrophobicContact CZ-CE2 3.65Å; F886-F890 AromaticContact CZ-CZ 3.92Å; F886-F890 HydrophobicContact CZ-CZ 3.92Å; L887-F890 WeakPolarHBondContact O-CB 3.45Å; L887-F890 WeakPolarHBondContact O-CD2 3.39Å; L887-F890 PolarHBondContact O-N 3.39Å; L887-F890 VanDerWaalsContact O-N 3.13Å; Y888-F890 PolarHBondContact O-N 2.81Å; F890-F894 HydrophobicContact CD1-CE1 4.14Å; F890-F894 AromaticContact CD1-CZ 3.79Å; F890-F894 HydrophobicContact CD1-CZ 3.79Å; F890-F894 HydrophobicContact CE1-CE1 4.39Å; F890-F894 HydrophobicContact CE1-CZ 4.2Å; F890-F894 HydrophobicContact CG-CE1 4.21Å; F890-F894 HydrophobicContact CG-CZ 4.19Å
891	F	92.9	Very high	92.9	Very high	97 Å²	97	24.5 Å²	24.5	43%	0.425	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-9.5	-177.1	-58.6	-85.5	0	0	0	113.4	L887 Y888 Q889 F968 F969 Y972	L887-F891 WeakPolarHBondContact O-CD2 3.48Å; Y888-F891 PolarHBondContact O-N 3.43Å; Q889-F891 PolarHBondContact O-N 2.99Å; F891-F968 AromaticContact CD2-CE1 3.7Å; F891-F968 HydrophobicContact CD2-CE1 3.7Å; F891-F968 AromaticContact CD2-CZ 3.42Å; F891-F968 HydrophobicContact CD2-CZ 3.42Å; F891-F968 VanDerWaalsContact CD2-CZ 3.42Å; F891-F968 HydrophobicContact CE2-CD1 4.47Å; F891-F968 AromaticContact CE2-CE1 3.28Å; F891-F968 HydrophobicContact CE2-CE1 3.28Å; F891-F968 AromaticContact CE2-CZ 3.55Å; F891-F968 HydrophobicContact CE2-CZ 3.55Å; F891-F968 HydrophobicContact CG-CZ 4.37Å; F891-F968 HydrophobicContact CZ-CE1 4.08Å; F891-F969 HydrophobicContact CZ-CE1 4.27Å; F891-Y972 HydrophobicContact CD1-CE2 4.04Å; F891-Y972 AromaticContact CE1-CE2 3.9Å; F891-Y972 HydrophobicContact CE1-CE2 3.9Å; F891-Y972 AromaticContact CE1-CZ 3.9Å
892	C	89.9	Confident	92.4	Very high	28 Å²	28	26.3 Å²	26.3	19%	0.189	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	13.9	-179	85.6	0	0	0	0	113.8	Y888 Q889 F894 S895 Q897	Y888-C892 HydrophobicContact CD1-CB 4.43Å; Y888-C892 HydrophobicContact CE1-CB 4.13Å; Y888-C892 PolarHBondContact O-N 3.14Å; Q889-C892 PolarHBondContact O-N 3.42Å; Q889-C892 PolarHBondContact OE1-SG 2.98Å; C892-F894 PolarHBondContact O-N 3.19Å; C892-S895 PolarHBondContact O-OG 3.01Å; C892-Q897 HydrophobicContact CB-CB 4.48Å
893	G	88.8	Confident	92	Very high	17 Å²	17	26.9 Å²	26.9	18%	0.175	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	27.1	-175.1	0	0	0	0	0	113.3	S895	G893-S895 PolarHBondContact O-N 3.47Å
894	F	92.3	Very high	91.6	Very high	12 Å²	12	26.3 Å²	26.3	5%	0.053	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	34.6	-178.4	-56.2	-77.2	0	0	0	114.3	C306 L309 K310 F347 Q889 F890 C892 Q896	C306-F894 HydrophobicContact CB-CD1 4.37Å; L309-F894 HydrophobicContact CB-CE1 4.17Å; L309-F894 HydrophobicContact CB-CE2 3.95Å; L309-F894 HydrophobicContact CB-CZ 3.72Å; L309-F894 HydrophobicContact CD1-CE1 4.46Å; L309-F894 HydrophobicContact CD1-CZ 4.08Å; K310-F894 HydrophobicContact CB-CB 3.59Å; K310-F894 HydrophobicContact CB-CG 4.17Å; K310-F894 HydrophobicContact CD-CB 4.31Å; K310-F894 WeakPolarHBondContact CD-O 3.41Å; K310-F894 WeakPolarHBondContact CE-O 3.35Å; K310-F894 HydrophobicContact CG-CB 3.79Å; F347-F894 HydrophobicContact CZ-CB 4.06Å; F347-F894 WeakPolarHBondContact CZ-O 3.24Å; Q889-F894 HydrophobicContact CB-CD1 4.01Å; Q889-F894 HydrophobicContact CB-CE1 4.42Å; Q889-F894 WeakPolarHBondContact O-CD1 3.21Å; Q889-F894 PolarHBondContact O-N 3.4Å; Q889-F894 VanDerWaalsContact O-N 3.1Å; F890-F894 HydrophobicContact CD1-CE1 4.14Å; F890-F894 AromaticContact CD1-CZ 3.79Å; F890-F894 HydrophobicContact CD1-CZ 3.79Å; F890-F894 HydrophobicContact CE1-CE1 4.39Å; F890-F894 HydrophobicContact CE1-CZ 4.2Å; F890-F894 HydrophobicContact CG-CE1 4.21Å; F890-F894 HydrophobicContact CG-CZ 4.19Å; C892-F894 PolarHBondContact O-N 3.19Å; F894-Q896 VanDerWaalsContact C-N 3.26Å; F894-Q896 PolarHBondContact O-N 3.46Å; F894-Q896 PolarHBondContact O-NE2 3.34Å
895	S	88.8	Confident	91.1	Very high	65 Å²	65	26.4 Å²	26.4	46%	0.455	14%	0.144	S	C	.	.			trans	-81.2	7.6	178.5	53.6	0	0	0	0	114.9	C892 G893 Q897	C892-S895 PolarHBondContact O-OG 3.01Å; G893-S895 PolarHBondContact O-N 3.47Å; S895-Q897 PolarHBondContact O-N 3.42Å
896	Q	89.8	Confident	90.5	Very high	17 Å²	17	27.8 Å²	27.8	8%	0.079	15%	0.153	C	C	.	.			trans	61.4	21.2	-175.8	-51.1	82.3	51.4	0	0	114.4	P85 F347 L350 F894 P898	P85-Q896 HydrophobicContact CG-CB 4.1Å; F347-Q896 HydrophobicContact CD1-CG 3.81Å; F347-Q896 HydrophobicContact CD2-CG 4.25Å; F347-Q896 HydrophobicContact CE1-CB 4.39Å; F347-Q896 HydrophobicContact CE1-CG 3.63Å; F347-Q896 HydrophobicContact CE2-CG 4.1Å; F347-Q896 HydrophobicContact CG-CG 4.11Å; F347-Q896 HydrophobicContact CZ-CG 3.78Å; L350-Q896 HydrophobicContact CD2-CB 4.26Å; F894-Q896 VanDerWaalsContact C-N 3.26Å; F894-Q896 PolarHBondContact O-N 3.46Å; F894-Q896 PolarHBondContact O-NE2 3.34Å; Q896-P898 WeakPolarHBondContact O-CD 3.34Å
897	Q	91.7	Very high	90	Very high	64 Å²	64	28.5 Å²	28.5	30%	0.299	16%	0.157	S	C	.	.			trans	-64.3	121.5	177.4	175.1	59.3	29	0	0	109.9	Y888 Q889 C892 S895 L899	Y888-Q897 HydrophobicContact CE1-CB 4.43Å; Y888-Q897 HydrophobicContact CE1-CG 4.09Å; Q889-Q897 PolarHBondContact NE2-O 3.02Å; C892-Q897 HydrophobicContact CB-CB 4.48Å; S895-Q897 PolarHBondContact O-N 3.42Å; Q897-L899 PolarHBondContact O-N 3.26Å
898	P	91.9	Very high	89.6	Confident	10 Å²	10	27.3 Å²	27.3	7%	0.065	15%	0.151	C	C	.	.			trans	-68.4	135.1	174.2	27.4	-33.6	0	0	0	110.3	L350 Q896 W990	L350-P898 HydrophobicContact CD1-CB 4.08Å; Q896-P898 WeakPolarHBondContact O-CD 3.34Å; P898-W990 HydrophobicContact CG-CH2 4.42Å
899	L	93.8	Very high	88.8	Confident	4 Å²	4	26.2 Å²	26.2	2%	0.021	15%	0.147	C	C	.	.	S	Bend	trans	-70.4	-37.9	173.7	176	62.1	0	0	0	111.4	P884 Y888 Q897 F992 G993 V996	P884-L899 HydrophobicContact CB-CD2 3.95Å; Y888-L899 HydrophobicContact CD1-CB 3.97Å; Y888-L899 HydrophobicContact CD1-CD1 4.3Å; Y888-L899 HydrophobicContact CD2-CD1 3.91Å; Y888-L899 HydrophobicContact CE1-CD1 4.49Å; Y888-L899 HydrophobicContact CE2-CD1 4.11Å; Y888-L899 HydrophobicContact CG-CB 4.15Å; Y888-L899 HydrophobicContact CG-CD1 4Å; Y888-L899 HydrophobicContact CG-CG 4.49Å; Q897-L899 PolarHBondContact O-N 3.26Å; L899-F992 HydrophobicContact CD1-CD1 3.54Å; L899-F992 HydrophobicContact CD1-CE1 3.84Å; L899-G993 WeakPolarHBondContact O-CA 3.26Å; L899-V996 HydrophobicContact CD2-CG1 4.25Å
900	Y	91.7	Very high	88.2	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.008	16%	0.157	C	C	.	.	S	Bend	trans	-101.9	150.5	-175.9	-49.9	-60.8	0	0	0	112	F881 P884 Q885 L905 V996 F997	F881-Y900 HydrophobicContact CD2-CD2 4.09Å; F881-Y900 AromaticContact CD2-CE2 3.63Å; F881-Y900 HydrophobicContact CD2-CE2 3.63Å; F881-Y900 AromaticContact CE2-CD2 3.44Å; F881-Y900 HydrophobicContact CE2-CD2 3.44Å; F881-Y900 VanDerWaalsContact CE2-CD2 3.44Å; F881-Y900 AromaticContact CE2-CE2 3.48Å; F881-Y900 HydrophobicContact CE2-CE2 3.48Å; F881-Y900 VanDerWaalsContact CE2-CE2 3.48Å; F881-Y900 HydrophobicContact CE2-CG 4.17Å; F881-Y900 HydrophobicContact CZ-CD2 4.06Å; F881-Y900 HydrophobicContact CZ-CE2 4.33Å; F881-Y900 VanDerWaalsContact O-CE2 3.29Å; F881-Y900 WeakPolarHBondContact O-CE2 3.44Å; F881-Y900 PolarHBondContact O-OH 3.04Å; F881-Y900 VanDerWaalsContact O-OH 3.04Å; P884-Y900 WeakPolarHBondContact CB-OH 3.34Å; Q885-Y900 HydrophobicContact CB-CE2 4.16Å; Y900-L905 HydrophobicContact CD2-CD2 3.87Å; Y900-L905 HydrophobicContact CG-CD2 4.33Å; Y900-V996 HydrophobicContact CE1-CB 4.39Å; Y900-V996 HydrophobicContact CE1-CG1 4.09Å; Y900-F997 HydrophobicContact CD1-CB 3.89Å; Y900-F997 AromaticContact CD1-CD2 3.72Å; Y900-F997 HydrophobicContact CD1-CD2 3.72Å; Y900-F997 HydrophobicContact CD1-CG 4.26Å; Y900-F997 HydrophobicContact CE1-CB 3.88Å; Y900-F997 AromaticContact CE1-CD2 3.93Å; Y900-F997 HydrophobicContact CE1-CD2 3.93Å; Y900-F997 HydrophobicContact CE1-CG 4.42Å; Y900-F997 HydrophobicContact CG-CD2 4.12Å
901	D	89.3	Confident	87.6	Confident	10 Å²	10	25.8 Å²	25.8	5%	0.053	15%	0.151	C	C	.	.			trans	-66.4	149.3	173.9	-177.9	63.4	0	0	0	111.8	A903 Y904 L905 W990 R1049 M1050	D901-A903 VanDerWaalsContact C-N 3.25Å; D901-A903 PolarHBondContact O-N 3.47Å; D901-A903 VanDerWaalsContact OD2-CB 3.29Å; D901-A903 WeakPolarHBondContact OD2-CB 3.41Å; D901-A903 PolarHBondContact OD2-N 3.46Å; D901-Y904 HydrophobicContact CB-CD2 4.24Å; D901-Y904 HydrophobicContact CB-CG 4.48Å; D901-Y904 PolarHBondContact O-N 3Å; D901-L905 WeakPolarHBondContact O-CG 3.46Å; D901-L905 PolarHBondContact O-N 3.21Å; D901-W990 HydrophobicContact CB-CE3 4.47Å; D901-W990 HydrophobicContact CB-CZ3 4.42Å; D901-R1049 WeakPolarHBondContact OD1-CD 3.21Å; D901-M1050 HydrophobicContact CB-CE 4.39Å; D901-M1050 HydrophobicContact CB-CG 3.87Å; D901-M1050 HydrophobicContact CB-SD 3.93Å
902	A	83.9	Confident	87.4	Confident	38 Å²	38	21.2 Å²	21.2	31%	0.314	13%	0.131	S	C	.	.	H	α-helix	trans	-59.8	-33.7	-177.6	0	0	0	0	0	113	T90 L905 T906	T90-A902 HydrophobicContact CG2-CB 4.28Å; A902-L905 PolarHBondContact O-N 3.39Å; A902-T906 PolarHBondContact O-N 2.65Å; A902-T906 PolarHBondContact O-OG1 3.01Å
903	A	85.1	Confident	87.3	Confident	12 Å²	12	19.9 Å²	19.9	10%	0.099	12%	0.122	C	C	.	.	H	α-helix	trans	-69.5	-37	176.3	0	0	0	0	0	111.8	D901 T906 M907 W1037	D901-A903 VanDerWaalsContact C-N 3.25Å; D901-A903 PolarHBondContact O-N 3.47Å; D901-A903 VanDerWaalsContact OD2-CB 3.29Å; D901-A903 WeakPolarHBondContact OD2-CB 3.41Å; D901-A903 PolarHBondContact OD2-N 3.46Å; A903-T906 PolarHBondContact O-N 3.46Å; A903-T906 PolarHBondContact O-OG1 3.02Å; A903-T906 VanDerWaalsContact O-OG1 3.05Å; A903-M907 VanDerWaalsContact O-CB 3.3Å; A903-M907 WeakPolarHBondContact O-CB 3.39Å; A903-M907 WeakPolarHBondContact O-CG 3.37Å; A903-M907 PolarHBondContact O-N 3.02Å; A903-W1037 HydrophobicContact CB-CD2 4.24Å; A903-W1037 HydrophobicContact CB-CH2 4.2Å; A903-W1037 HydrophobicContact CB-CZ2 3.64Å
904	Y	87.4	Confident	87.2	Confident	2 Å²	2	19.7 Å²	19.7	1%	0.008	12%	0.118	C	C	.	.	H	α-helix	trans	-69.5	-37.3	175.9	-67.2	-15.8	0	0	0	112.1	D901 T906 Y908 T994 F997 F1033 S1034 M1050	D901-Y904 HydrophobicContact CB-CD2 4.24Å; D901-Y904 HydrophobicContact CB-CG 4.48Å; D901-Y904 PolarHBondContact O-N 3Å; Y904-T906 VanDerWaalsContact C-N 3.32Å; Y904-T906 PolarHBondContact O-N 3.01Å; Y904-Y908 WeakPolarHBondContact O-CB 3.29Å; Y904-Y908 PolarHBondContact O-N 2.85Å; Y904-T994 HydrophobicContact CE2-CG2 3.81Å; Y904-F997 HydrophobicContact CD2-CD1 4.22Å; Y904-F997 HydrophobicContact CD2-CE1 4.44Å; Y904-F997 HydrophobicContact CD2-CG 4.38Å; Y904-F997 HydrophobicContact CG-CD1 4.39Å; Y904-F997 HydrophobicContact CG-CE1 4.16Å; Y904-F997 HydrophobicContact CG-CZ 4.28Å; Y904-F1033 HydrophobicContact CD1-CE1 4.09Å; Y904-F1033 HydrophobicContact CE1-CD1 4.1Å; Y904-F1033 AromaticContact CE1-CE1 3.9Å; Y904-F1033 HydrophobicContact CE1-CE1 3.9Å; Y904-S1034 WeakPolarHBondContact OH-CB 3.34Å; Y904-S1034 PolarHBondContact OH-OG 3.46Å; Y904-M1050 HydrophobicContact CD2-CE 4.45Å; Y904-M1050 HydrophobicContact CE2-CE 3.59Å
905	L	85	Confident	87.2	Confident	2 Å²	2	23.6 Å²	23.6	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-57.7	-42.6	175.2	-65.3	177.2	0	0	0	112.2	T86 F353 F881 Y900 D901 A902	T86-L905 HydrophobicContact CG2-CD1 4.31Å; F353-L905 HydrophobicContact CE2-CB 4.34Å; F353-L905 HydrophobicContact CE2-CD1 4.25Å; F353-L905 HydrophobicContact CZ-CB 4.09Å; F881-L905 HydrophobicContact CE1-CD2 4.2Å; F881-L905 HydrophobicContact CE2-CD2 4.09Å; F881-L905 HydrophobicContact CZ-CD2 3.37Å; Y900-L905 HydrophobicContact CD2-CD2 3.87Å; Y900-L905 HydrophobicContact CG-CD2 4.33Å; D901-L905 WeakPolarHBondContact O-CG 3.46Å; D901-L905 PolarHBondContact O-N 3.21Å; A902-L905 PolarHBondContact O-N 3.39Å
906	T	82.3	Confident	87.4	Confident	30 Å²	30	20.6 Å²	20.6	18%	0.184	12%	0.118	C	C	.	.	H	α-helix	trans	-78.7	-45.5	-178.9	55.9	0	0	0	0	112.5	T90 A902 A903 Y904 Y908	T90-T906 HydrophobicContact CG2-CG2 3.78Å; A902-T906 PolarHBondContact O-N 2.65Å; A902-T906 PolarHBondContact O-OG1 3.01Å; A903-T906 PolarHBondContact O-N 3.46Å; A903-T906 PolarHBondContact O-OG1 3.02Å; A903-T906 VanDerWaalsContact O-OG1 3.05Å; Y904-T906 VanDerWaalsContact C-N 3.32Å; Y904-T906 PolarHBondContact O-N 3.01Å; T906-Y908 PolarHBondContact O-N 3.4Å
907	M	85.2	Confident	87.7	Confident	41 Å²	41	19.8 Å²	19.8	20%	0.202	11%	0.114	C	C	.	.	H	α-helix	trans	-72	-27.2	-174.7	-66.8	-62.5	-73.9	0	0	113.4	A903 N909 C911 F912 F1029 F1033	A903-M907 VanDerWaalsContact O-CB 3.3Å; A903-M907 WeakPolarHBondContact O-CB 3.39Å; A903-M907 WeakPolarHBondContact O-CG 3.37Å; A903-M907 PolarHBondContact O-N 3.02Å; M907-N909 PolarHBondContact O-N 3.38Å; M907-C911 HydrophobicContact CE-CB 3.72Å; M907-C911 WeakPolarHBondContact CE-SG 3.37Å; M907-C911 PolarHBondContact O-N 3.04Å; M907-F912 HydrophobicContact CB-CD2 4.25Å; M907-F912 HydrophobicContact CB-CE1 4.38Å; M907-F912 HydrophobicContact CB-CE2 3.65Å; M907-F912 HydrophobicContact CB-CZ 3.71Å; M907-F912 PolarHBondContact O-N 3.22Å; M907-F912 VanDerWaalsContact O-N 3.09Å; M907-F1029 HydrophobicContact CE-CE1 4.25Å; M907-F1029 HydrophobicContact CE-CZ 4.33Å; M907-F1033 HydrophobicContact CE-CD2 4.43Å; M907-F1033 HydrophobicContact CE-CE2 4.15Å; M907-F1033 HydrophobicContact CG-CE1 4.35Å; M907-F1033 HydrophobicContact CG-CE2 4.45Å; M907-F1033 HydrophobicContact CG-CZ 3.96Å
908	Y	86.7	Confident	87.8	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.108	C	C	.	.	I	π-helix	trans	-54.1	-52.4	179.8	177.6	-111.8	0	0	0	112.9	K877 F881 Y904 T906 T913 F997 L1000 V1001	K877-Y908 PolarHBondContact O-OH 2.93Å; F881-Y908 HydrophobicContact CB-CD1 4.33Å; F881-Y908 HydrophobicContact CB-CE1 3.6Å; F881-Y908 HydrophobicContact CD1-CD1 4.02Å; F881-Y908 HydrophobicContact CD1-CE1 4.05Å; F881-Y908 HydrophobicContact CD2-CD1 4.1Å; F881-Y908 HydrophobicContact CD2-CE1 4.15Å; F881-Y908 HydrophobicContact CD2-CG 4.45Å; F881-Y908 HydrophobicContact CE1-CD1 4.24Å; F881-Y908 HydrophobicContact CE2-CD1 4.32Å; F881-Y908 HydrophobicContact CE2-CG 4.46Å; F881-Y908 AromaticContact CG-CD1 3.89Å; F881-Y908 HydrophobicContact CG-CD1 3.89Å; F881-Y908 AromaticContact CG-CE1 3.68Å; F881-Y908 HydrophobicContact CG-CE1 3.68Å; F881-Y908 HydrophobicContact CZ-CD1 4.34Å; Y904-Y908 WeakPolarHBondContact O-CB 3.29Å; Y904-Y908 PolarHBondContact O-N 2.85Å; T906-Y908 PolarHBondContact O-N 3.4Å; Y908-T913 HydrophobicContact CD2-CG2 3.87Å; Y908-T913 HydrophobicContact CE2-CG2 3.45Å; Y908-T913 VanDerWaalsContact CE2-CG2 3.45Å; Y908-T913 PolarHBondContact O-N 3.08Å; Y908-T913 PolarHBondContact O-OG1 2.63Å; Y908-F997 HydrophobicContact CD2-CE2 4.07Å; Y908-F997 AromaticContact CD2-CZ 3.87Å; Y908-F997 HydrophobicContact CD2-CZ 3.87Å; Y908-F997 HydrophobicContact CG-CE2 4.26Å; Y908-F997 HydrophobicContact CG-CZ 4.23Å; Y908-L1000 HydrophobicContact CE2-CD2 3.92Å; Y908-L1000 HydrophobicContact CE2-CG 4.28Å; Y908-V1001 HydrophobicContact CD2-CG2 4.11Å; Y908-V1001 HydrophobicContact CE2-CG2 4.19Å
909	N	79.3	Confident	87.9	Confident	12 Å²	12	18.4 Å²	18.4	6%	0.064	11%	0.109	C	C	.	.	I	π-helix	trans	-85.5	-20.1	-172.9	-87.8	-32.1	0	0	0	114.2	S358 K877 N878 M907	S358-N909 PolarHBondContact OG-O 3.49Å; K877-N909 PolarHBondContact NZ-OD1 3.02Å; N878-N909 PolarHBondContact OD1-ND2 3.16Å; N878-N909 PolarHBondContact OD1-OD1 3.5Å; M907-N909 PolarHBondContact O-N 3.38Å
910	I	80.9	Confident	87.9	Confident	43 Å²	43	18.7 Å²	18.7	22%	0.221	11%	0.11	C	C	.	.	I	π-helix	trans	-99.4	-38.4	-176.4	-60.4	178.2	0	0	0	111.9	L93 P94 S914	L93-I910 HydrophobicContact CD2-CD1 4.03Å; P94-I910 HydrophobicContact CB-CD1 4.28Å; P94-I910 HydrophobicContact CG-CD1 4.1Å; I910-S914 VanDerWaalsContact C-OG 3.28Å; I910-S914 WeakPolarHBondContact O-CB 3.11Å; I910-S914 PolarHBondContact O-OG 3.01Å
911	C	83.2	Confident	88.1	Confident	36 Å²	36	18.6 Å²	18.6	24%	0.243	11%	0.11	C	C	.	.	I	π-helix	trans	-117.5	-54.2	-170.9	-62.1	0	0	0	0	112.8	M907 T913 F1029	M907-C911 HydrophobicContact CE-CB 3.72Å; M907-C911 WeakPolarHBondContact CE-SG 3.37Å; M907-C911 PolarHBondContact O-N 3.04Å; C911-T913 PolarHBondContact O-N 3.49Å; C911-F1029 HydrophobicContact CB-CE1 4.13Å
912	F	87.7	Confident	88.3	Confident	1 Å²	1	19.1 Å²	19.1	0%	0.004	11%	0.112	C	C	.	.	I	π-helix	trans	-67.6	-41.9	-169.6	-58.2	-33.7	0	0	0	112.9	M907 F997 S1026 F1029 Y1030 F1033	M907-F912 HydrophobicContact CB-CD2 4.25Å; M907-F912 HydrophobicContact CB-CE1 4.38Å; M907-F912 HydrophobicContact CB-CE2 3.65Å; M907-F912 HydrophobicContact CB-CZ 3.71Å; M907-F912 PolarHBondContact O-N 3.22Å; M907-F912 VanDerWaalsContact O-N 3.09Å; F912-F997 HydrophobicContact CD2-CE1 4.21Å; F912-F997 HydrophobicContact CD2-CZ 4.19Å; F912-F997 HydrophobicContact CE2-CE1 4.19Å; F912-F997 HydrophobicContact CE2-CZ 4.3Å; F912-S1026 WeakPolarHBondContact O-CB 3.43Å; F912-S1026 PolarHBondContact O-OG 3.46Å; F912-F1029 AromaticContact CD1-CD1 3.76Å; F912-F1029 HydrophobicContact CD1-CD1 3.76Å; F912-F1029 AromaticContact CD1-CE1 3.94Å; F912-F1029 HydrophobicContact CD1-CE1 3.94Å; F912-F1029 AromaticContact CE1-CD1 3.73Å; F912-F1029 HydrophobicContact CE1-CD1 3.73Å; F912-F1029 AromaticContact CE1-CE1 3.62Å; F912-F1029 HydrophobicContact CE1-CE1 3.62Å; F912-Y1030 HydrophobicContact CD2-CD2 4.15Å; F912-Y1030 HydrophobicContact CE1-CD2 4.41Å; F912-Y1030 AromaticContact CE2-CD2 3.91Å; F912-Y1030 HydrophobicContact CE2-CD2 3.91Å; F912-Y1030 HydrophobicContact CZ-CD2 4.07Å; F912-F1033 HydrophobicContact CE1-CB 4.19Å; F912-F1033 HydrophobicContact CE1-CD1 4.27Å; F912-F1033 HydrophobicContact CE1-CG 4.25Å; F912-F1033 HydrophobicContact CZ-CB 4.29Å; F912-F1033 AromaticContact CZ-CD1 3.56Å; F912-F1033 HydrophobicContact CZ-CD1 3.56Å; F912-F1033 HydrophobicContact CZ-CE1 4.09Å; F912-F1033 AromaticContact CZ-CG 4Å; F912-F1033 HydrophobicContact CZ-CG 4Å
913	T	88.6	Confident	88.7	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-2.2	-171	62.7	0	0	0	0	115	K877 Y908 C911 I917 V1004	K877-T913 PolarHBondContact NZ-OG1 3.42Å; Y908-T913 HydrophobicContact CD2-CG2 3.87Å; Y908-T913 HydrophobicContact CE2-CG2 3.45Å; Y908-T913 VanDerWaalsContact CE2-CG2 3.45Å; Y908-T913 PolarHBondContact O-N 3.08Å; Y908-T913 PolarHBondContact O-OG1 2.63Å; C911-T913 PolarHBondContact O-N 3.49Å; T913-I917 WeakPolarHBondContact O-CG2 3.33Å; T913-V1004 HydrophobicContact CG2-CG2 3.95Å
914	S	87.4	Confident	89.1	Confident	13 Å²	13	18.9 Å²	18.9	9%	0.091	10%	0.104	C	C	.	.	H	α-helix	trans	-84.4	-42.8	-175.7	59.9	0	0	0	0	113	I910 I917 L918	I910-S914 VanDerWaalsContact C-OG 3.28Å; I910-S914 WeakPolarHBondContact O-CB 3.11Å; I910-S914 PolarHBondContact O-OG 3.01Å; S914-I917 WeakPolarHBondContact O-CG2 3.34Å; S914-L918 WeakPolarHBondContact O-CB 3.31Å; S914-L918 PolarHBondContact O-N 3.47Å
915	L	90.8	Very high	89.3	Confident	94 Å²	94	21 Å²	21	49%	0.492	11%	0.114	S	C	.	.	H	α-helix	trans	-66.9	-44.6	-177.2	-61.9	175.4	0	0	0	112.5	I917 L918 A919 V1022	L915-I917 VanDerWaalsContact C-N 3.35Å; L915-I917 PolarHBondContact O-N 3.3Å; L915-L918 PolarHBondContact O-N 3.34Å; L915-A919 WeakPolarHBondContact O-CB 3.41Å; L915-A919 PolarHBondContact O-N 2.48Å; L915-V1022 VanDerWaalsContact C-CG1 3.4Å; L915-V1022 HydrophobicContact CB-CG1 3.59Å
916	P	94.2	Very high	89.5	Confident	2 Å²	2	23.6 Å²	23.6	1%	0.013	13%	0.126	C	C	.	.	H	α-helix	trans	-60.7	-42.6	179.6	-26.7	37.4	0	0	0	113	A919 Y920 L1008 V1022 I1023 S1026	P916-A919 PolarHBondContact O-N 3.22Å; P916-Y920 WeakPolarHBondContact O-CB 3.43Å; P916-Y920 PolarHBondContact O-N 3.21Å; P916-L1008 HydrophobicContact CB-CD2 3.8Å; P916-V1022 HydrophobicContact CB-CG1 4.48Å; P916-V1022 HydrophobicContact CG-CG1 4.19Å; P916-I1023 HydrophobicContact CB-CG1 4.1Å; P916-S1026 WeakPolarHBondContact CD-OG 3.41Å; P916-S1026 WeakPolarHBondContact CG-OG 3.4Å
917	I	95	Very high	89.8	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-72.7	-31	179.2	-170.1	61.4	0	0	0	112.4	L870 Y873 F874 T913 S914 L915 Y920 S921 L1008	L870-I917 HydrophobicContact CB-CD1 4.45Å; L870-I917 HydrophobicContact CB-CG1 4.32Å; L870-I917 HydrophobicContact CD1-CG1 4.28Å; L870-I917 HydrophobicContact CG-CG1 3.98Å; Y873-I917 HydrophobicContact CD1-CB 3.86Å; Y873-I917 HydrophobicContact CD1-CD1 3.49Å; Y873-I917 VanDerWaalsContact CD1-CD1 3.49Å; Y873-I917 HydrophobicContact CD1-CG1 3.53Å; Y873-I917 HydrophobicContact CD1-CG2 4.49Å; Y873-I917 HydrophobicContact CE1-CB 3.82Å; Y873-I917 HydrophobicContact CE1-CD1 4.12Å; Y873-I917 HydrophobicContact CE1-CG1 4.04Å; Y873-I917 HydrophobicContact CE1-CG2 4.37Å; Y873-I917 HydrophobicContact CG-CD1 3.73Å; Y873-I917 HydrophobicContact CG-CG1 4.26Å; F874-I917 HydrophobicContact CD2-CG1 4.33Å; F874-I917 HydrophobicContact CD2-CG2 4.36Å; F874-I917 HydrophobicContact CE2-CG1 4.18Å; F874-I917 HydrophobicContact CE2-CG2 3.54Å; F874-I917 HydrophobicContact CZ-CG2 3.93Å; T913-I917 WeakPolarHBondContact O-CG2 3.33Å; S914-I917 WeakPolarHBondContact O-CG2 3.34Å; L915-I917 VanDerWaalsContact C-N 3.35Å; L915-I917 PolarHBondContact O-N 3.3Å; I917-Y920 HydrophobicContact CD1-CD1 4.22Å; I917-S921 WeakPolarHBondContact O-CB 3.46Å; I917-S921 PolarHBondContact O-N 3.15Å; I917-S921 PolarHBondContact O-OG 3.44Å; I917-L1008 HydrophobicContact CB-CD2 4.26Å; I917-L1008 HydrophobicContact CD1-CD1 3.83Å; I917-L1008 HydrophobicContact CD1-CD2 4.22Å
918	L	94.2	Very high	90.2	Very high	35 Å²	35	25.9 Å²	25.9	18%	0.183	14%	0.137	C	C	.	.	H	α-helix	trans	-67.9	-43	172.2	-179	61.5	0	0	0	111.5	T362 M365 Q366 S914 L915 S921 L922	T362-L918 HydrophobicContact CG2-CB 3.98Å; T362-L918 HydrophobicContact CG2-CD1 3.93Å; T362-L918 HydrophobicContact CG2-CG 4.46Å; M365-L918 HydrophobicContact CB-CD1 4.31Å; Q366-L918 HydrophobicContact CB-CD1 4.33Å; S914-L918 WeakPolarHBondContact O-CB 3.31Å; S914-L918 PolarHBondContact O-N 3.47Å; L915-L918 PolarHBondContact O-N 3.34Å; L918-S921 PolarHBondContact O-N 3.2Å; L918-S921 PolarHBondContact O-OG 2.94Å; L918-S921 VanDerWaalsContact O-OG 3.07Å; L918-L922 HydrophobicContact CD1-CD1 4.07Å; L918-L922 HydrophobicContact CD1-CG 4.27Å; L918-L922 HydrophobicContact CG-CD1 4.1Å; L918-L922 WeakPolarHBondContact O-CG 3.42Å; L918-L922 PolarHBondContact O-N 2.67Å; L918-L922 VanDerWaalsContact O-N 3.07Å
919	A	94.3	Very high	90.4	Very high	10 Å²	10	27.1 Å²	27.1	8%	0.083	14%	0.144	C	C	.	.	H	α-helix	trans	-62.2	-44.8	176.7	0	0	0	0	0	111.2	L915 P916 S921 L922 L923 N1019 V1022	L915-A919 WeakPolarHBondContact O-CB 3.41Å; L915-A919 PolarHBondContact O-N 2.48Å; P916-A919 PolarHBondContact O-N 3.22Å; A919-S921 PolarHBondContact O-N 3.26Å; A919-L922 PolarHBondContact O-N 3.24Å; A919-L923 PolarHBondContact O-N 2.91Å; A919-N1019 WeakPolarHBondContact CB-OD1 3.3Å; A919-N1019 PolarHBondContact O-OD1 3.28Å; A919-V1022 HydrophobicContact CB-CB 4.25Å; A919-V1022 HydrophobicContact CB-CG1 4.2Å; A919-V1022 HydrophobicContact CB-CG2 4.32Å
920	Y	94.7	Very high	91	Very high	9 Å²	9	31.4 Å²	31.4	4%	0.035	17%	0.166	C	C	.	.	H	α-helix	trans	-55.2	-51.2	171.2	177.9	-83.2	0	0	0	111.3	H869 P916 I917 L922 L923 E924 L1008 T1012	H869-Y920 HydrophobicContact CB-CE1 3.86Å; H869-Y920 AromaticContact CE1-CZ 3.94Å; H869-Y920 AromaticContact CG-CE1 3.73Å; H869-Y920 AromaticContact CG-CZ 3.81Å; H869-Y920 AromaticContact ND1-CE1 3.39Å; H869-Y920 WeakPolarHBondContact ND1-CE1 3.44Å; H869-Y920 AromaticContact ND1-CZ 3.57Å; P916-Y920 WeakPolarHBondContact O-CB 3.43Å; P916-Y920 PolarHBondContact O-N 3.21Å; I917-Y920 HydrophobicContact CD1-CD1 4.22Å; Y920-L922 PolarHBondContact O-N 3.3Å; Y920-L923 PolarHBondContact O-N 3.08Å; Y920-E924 HydrophobicContact CD1-CB 4.42Å; Y920-E924 HydrophobicContact CD2-CB 4.11Å; Y920-E924 HydrophobicContact CD2-CG 3.9Å; Y920-E924 HydrophobicContact CE1-CB 4.4Å; Y920-E924 HydrophobicContact CE1-CG 4.45Å; Y920-E924 HydrophobicContact CE2-CB 4.16Å; Y920-E924 HydrophobicContact CE2-CG 3.56Å; Y920-E924 HydrophobicContact CG-CB 4.24Å; Y920-E924 WeakPolarHBondContact O-CB 3.25Å; Y920-E924 PolarHBondContact O-N 3.32Å; Y920-L1008 HydrophobicContact CD2-CD1 3.87Å; Y920-L1008 HydrophobicContact CE2-CD1 4.32Å; Y920-L1008 HydrophobicContact CG-CD1 4Å; Y920-T1012 HydrophobicContact CD2-CG2 4.48Å; Y920-T1012 WeakPolarHBondContact CD2-OG1 3.07Å
921	S	94.3	Very high	91.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-71.8	-14.2	-173.9	73.7	0	0	0	0	114.7	Q366 R866 L870 I917 L918 A919	Q366-S921 WeakPolarHBondContact CG-O 3.3Å; Q366-S921 WeakPolarHBondContact CG-OG 3.38Å; R866-S921 WeakPolarHBondContact CB-O 2.98Å; R866-S921 VanDerWaalsContact CD-O 3.25Å; R866-S921 WeakPolarHBondContact CD-O 3.48Å; R866-S921 WeakPolarHBondContact CG-O 3.06Å; L870-S921 VanDerWaalsContact CD1-OG 3.31Å; L870-S921 WeakPolarHBondContact CD1-OG 3.27Å; I917-S921 WeakPolarHBondContact O-CB 3.46Å; I917-S921 PolarHBondContact O-N 3.15Å; I917-S921 PolarHBondContact O-OG 3.44Å; L918-S921 PolarHBondContact O-N 3.2Å; L918-S921 PolarHBondContact O-OG 2.94Å; L918-S921 VanDerWaalsContact O-OG 3.07Å; A919-S921 PolarHBondContact O-N 3.26Å
922	L	94.3	Very high	91.8	Very high	22 Å²	22	31 Å²	31	12%	0.115	17%	0.165	C	C	.	.	H	α-helix	trans	-92	-48.9	173.4	-70.2	172.8	0	0	0	112.2	Q366 L369 F373 R866 L918 A919 Y920	Q366-L922 HydrophobicContact CG-CD2 4.37Å; L369-L922 HydrophobicContact CB-CD1 4.37Å; L369-L922 HydrophobicContact CB-CD2 3.74Å; L369-L922 HydrophobicContact CD1-CD1 3.91Å; F373-L922 HydrophobicContact CE2-CB 4.39Å; F373-L922 WeakPolarHBondContact CE2-O 3.35Å; R866-L922 PolarHBondContact NH1-O 3.2Å; R866-L922 PolarHBondContact NH2-O 3.39Å; L918-L922 HydrophobicContact CD1-CD1 4.07Å; L918-L922 HydrophobicContact CD1-CG 4.27Å; L918-L922 HydrophobicContact CG-CD1 4.1Å; L918-L922 WeakPolarHBondContact O-CG 3.42Å; L918-L922 PolarHBondContact O-N 2.67Å; L918-L922 VanDerWaalsContact O-N 3.07Å; A919-L922 PolarHBondContact O-N 3.24Å; Y920-L922 PolarHBondContact O-N 3.3Å
923	L	93.1	Very high	91.9	Very high	44 Å²	44	32.3 Å²	32.3	23%	0.23	17%	0.173	C	C	.	.	H	α-helix	trans	-104.7	-10.8	-163.3	-58.5	175.3	0	0	0	113.9	F373 A919 Y920 I1018	F373-L923 HydrophobicContact CZ-CD2 3.99Å; A919-L923 PolarHBondContact O-N 2.91Å; Y920-L923 PolarHBondContact O-N 3.08Å; L923-I1018 HydrophobicContact CD1-CB 3.78Å; L923-I1018 HydrophobicContact CD1-CD1 3.82Å; L923-I1018 HydrophobicContact CD1-CG1 4.32Å; L923-I1018 HydrophobicContact CD1-CG2 3.83Å
924	E	92.8	Very high	92	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	20%	0.203	C	C	.	.			trans	-70	140.6	-172.9	-163.2	-87.5	173.7	0	0	112.6	R866 Y920 H926	R866-E924 PolarHBondContact NE-O 2.87Å; R866-E924 PolarHBondContact NH2-O 3Å; Y920-E924 HydrophobicContact CD1-CB 4.42Å; Y920-E924 HydrophobicContact CD2-CB 4.11Å; Y920-E924 HydrophobicContact CD2-CG 3.9Å; Y920-E924 HydrophobicContact CE1-CB 4.4Å; Y920-E924 HydrophobicContact CE1-CG 4.45Å; Y920-E924 HydrophobicContact CE2-CB 4.16Å; Y920-E924 HydrophobicContact CE2-CG 3.56Å; Y920-E924 HydrophobicContact CG-CB 4.24Å; Y920-E924 WeakPolarHBondContact O-CB 3.25Å; Y920-E924 PolarHBondContact O-N 3.32Å; E924-H926 WeakPolarHBondContact OE1-CA 3.28Å; E924-H926 WeakPolarHBondContact OE1-CB 3.49Å; E924-H926 PolarHBondContact OE1-N 3.35Å; E924-H926 PolarHBondContact OE2-N 3.36Å
925	Q	91.2	Very high	92.1	Very high	47 Å²	47	38.7 Å²	38.7	22%	0.22	21%	0.213	C	C	.	.			trans	-133	93.2	171.6	-60.3	-176.9	13.8	0	0	108.7	L862 I927 N928 F1014	L862-Q925 HydrophobicContact CD1-CG 4.16Å; L862-Q925 HydrophobicContact CD2-CB 4.4Å; Q925-I927 PolarHBondContact O-N 2.64Å; Q925-I927 VanDerWaalsContact O-N 3.16Å; Q925-N928 PolarHBondContact OE1-OD1 3.22Å; Q925-F1014 HydrophobicContact CB-CB 4.29Å; Q925-F1014 HydrophobicContact CB-CD1 4.47Å; Q925-F1014 HydrophobicContact CB-CG 4.24Å; Q925-F1014 HydrophobicContact CG-CD1 4.47Å
926	H	88.7	Confident	92.1	Very high	55 Å²	55	35 Å²	35	26%	0.255	20%	0.195	S	C	.	.	S	Bend	trans	-61.6	-26.7	-177.6	78.1	99.9	0	0	0	112.8	H861 E924	H861-H926 AromaticContact CD2-NE2 3.4Å; H861-H926 PolarHBondContact CD2-NE2 3.07Å; H861-H926 AromaticContact NE2-CE1 3.37Å; H861-H926 PolarHBondContact NE2-CE1 3.34Å; H861-H926 AromaticContact NE2-NE2 2.88Å; H861-H926 PolarHBondContact NE2-NE2 2.95Å; E924-H926 WeakPolarHBondContact OE1-CA 3.28Å; E924-H926 WeakPolarHBondContact OE1-CB 3.49Å; E924-H926 PolarHBondContact OE1-N 3.35Å; E924-H926 PolarHBondContact OE2-N 3.36Å
927	I	89.7	Confident	91.8	Very high	44 Å²	44	43.6 Å²	43.6	23%	0.226	23%	0.227	C	C	.	.	S	Bend	trans	-133.4	140.2	167.1	-63.9	169.2	0	0	0	106.2	Q925 T931 L932 L938	Q925-I927 PolarHBondContact O-N 2.64Å; Q925-I927 VanDerWaalsContact O-N 3.16Å; I927-T931 HydrophobicContact CG2-CG2 4.08Å; I927-L932 HydrophobicContact CB-CD1 4.27Å; I927-L932 HydrophobicContact CD1-CD1 4.42Å; I927-L932 HydrophobicContact CG2-CD1 4.19Å; I927-L938 HydrophobicContact CD1-CD1 4.13Å
928	N	92.8	Very high	91.4	Very high	75 Å²	75	44.3 Å²	44.3	40%	0.401	23%	0.231	S	C	.	.			trans	-58.3	141.4	178.1	-171.2	9.9	0	0	0	111.2	Q925 D930 T931 L932	Q925-N928 PolarHBondContact OE1-OD1 3.22Å; N928-D930 VanDerWaalsContact C-N 3.28Å; N928-D930 PolarHBondContact ND2-OD2 3.3Å; N928-D930 PolarHBondContact O-N 3.12Å; N928-T931 PolarHBondContact O-N 3.45Å; N928-L932 PolarHBondContact O-N 3.38Å
929	I	91.8	Very high	90.9	Very high	26 Å²	26	42.8 Å²	42.8	13%	0.133	22%	0.223	C	C	.	.	H	α-helix	trans	-55.9	-38	-176.3	-165.7	79.2	0	0	0	113	A858 L862 L932 T933	A858-I929 HydrophobicContact CB-CD1 3.28Å; A858-I929 HydrophobicContact CB-CG1 3.81Å; L862-I929 HydrophobicContact CD1-CD1 3.43Å; L862-I929 VanDerWaalsContact CD1-CD1 3.43Å; L862-I929 HydrophobicContact CG-CD1 4.38Å; I929-L932 WeakPolarHBondContact O-CB 3.29Å; I929-L932 PolarHBondContact O-N 3.49Å; I929-T933 PolarHBondContact O-N 2.97Å; I929-T933 PolarHBondContact O-OG1 3Å
930	D	90.6	Very high	90.2	Very high	102 Å²	102	44.4 Å²	44.4	55%	0.545	23%	0.229	S	C	.	.	H	α-helix	trans	-69.6	-44.9	-179.2	-52.3	-43.5	0	0	0	111.1	N928 L932 T933 S934	N928-D930 VanDerWaalsContact C-N 3.28Å; N928-D930 PolarHBondContact ND2-OD2 3.3Å; N928-D930 PolarHBondContact O-N 3.12Å; D930-L932 PolarHBondContact O-N 2.84Å; D930-T933 PolarHBondContact O-N 2.97Å; D930-S934 WeakPolarHBondContact O-CB 3.48Å; D930-S934 PolarHBondContact O-N 3.21Å; D930-S934 PolarHBondContact O-OG 3.36Å
931	T	90.8	Very high	89.3	Confident	68 Å²	68	50.8 Å²	50.8	42%	0.417	26%	0.257	S	S	.	.	H	α-helix	trans	-60.6	-39	175.6	-52.5	0	0	0	0	110.6	I927 N928 T933 S934 D935	I927-T931 HydrophobicContact CG2-CG2 4.08Å; N928-T931 PolarHBondContact O-N 3.45Å; T931-T933 VanDerWaalsContact C-N 3.32Å; T931-T933 PolarHBondContact O-N 3.17Å; T931-S934 WeakPolarHBondContact CA-OG 3.39Å; T931-S934 PolarHBondContact O-N 3.35Å; T931-S934 PolarHBondContact O-OG 3.19Å; T931-D935 PolarHBondContact O-N 2.93Å; T931-D935 VanDerWaalsContact O-N 3.09Å
932	L	90.2	Very high	88.5	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-66.4	-35	179.8	-153.9	69.1	0	0	0	112.9	L857 H861 L862 I927 N928 I929 D930 L938	L857-L932 WeakPolarHBondContact O-CD2 3.49Å; L857-L932 WeakPolarHBondContact O-CG 3.43Å; H861-L932 HydrophobicContact CB-CD2 3.78Å; L862-L932 HydrophobicContact CD2-CD2 4.39Å; L862-L932 HydrophobicContact CG-CD2 4.25Å; I927-L932 HydrophobicContact CB-CD1 4.27Å; I927-L932 HydrophobicContact CD1-CD1 4.42Å; I927-L932 HydrophobicContact CG2-CD1 4.19Å; N928-L932 PolarHBondContact O-N 3.38Å; I929-L932 WeakPolarHBondContact O-CB 3.29Å; I929-L932 PolarHBondContact O-N 3.49Å; D930-L932 PolarHBondContact O-N 2.84Å; L932-L938 HydrophobicContact CD1-CB 4.26Å; L932-L938 HydrophobicContact CD1-CD1 4.13Å
933	T	90.3	Very high	87.5	Confident	29 Å²	29	50.8 Å²	50.8	18%	0.178	26%	0.258	C	S	.	.	H	α-helix	trans	-78.5	-32	178.4	-54.9	0	0	0	0	111.6	A858 I929 D930 T931	A858-T933 WeakPolarHBondContact CB-OG1 3.39Å; I929-T933 PolarHBondContact O-N 2.97Å; I929-T933 PolarHBondContact O-OG1 3Å; D930-T933 PolarHBondContact O-N 2.97Å; T931-T933 VanDerWaalsContact C-N 3.32Å; T931-T933 PolarHBondContact O-N 3.17Å
934	S	90.4	Very high	86.5	Confident	90 Å²	90	51 Å²	51	63%	0.629	27%	0.271	S	S	*	.	H	α-helix	trans	-75.5	-30	177.6	69.9	0	0	0	0	114.4	D930 T931 P936	D930-S934 WeakPolarHBondContact O-CB 3.48Å; D930-S934 PolarHBondContact O-N 3.21Å; D930-S934 PolarHBondContact O-OG 3.36Å; T931-S934 WeakPolarHBondContact CA-OG 3.39Å; T931-S934 PolarHBondContact O-N 3.35Å; T931-S934 PolarHBondContact O-OG 3.19Å; S934-P936 WeakPolarHBondContact O-CD 3.4Å
935	D	90.8	Very high	85.9	Confident	58 Å²	58	52.3 Å²	52.3	31%	0.31	28%	0.278	S	S	.	.			trans	-120	85.4	178.9	-176.8	13.3	0	0	0	111.9	T931 R937 L938	T931-D935 PolarHBondContact O-N 2.93Å; T931-D935 VanDerWaalsContact O-N 3.09Å; D935-R937 PolarHBondContact O-N 3.31Å; D935-R937 VanDerWaalsContact O-N 3.12Å; D935-R937 WeakPolarHBondContact OD1-CB 3.35Å; D935-R937 PolarHBondContact OD1-N 3.46Å; D935-L938 HydrophobicContact CB-CD1 4.16Å; D935-L938 HydrophobicContact CB-CG 4.3Å; D935-L938 PolarHBondContact O-N 3.33Å
936	P	89.3	Confident	85.4	Confident	16 Å²	16	51.7 Å²	51.7	10%	0.104	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-60.1	-23.8	-178.4	-23.7	32.8	0	0	0	114.2	A662 A665 A666 L857 S934 L938 Y939	A662-P936 HydrophobicContact CB-CG 3.86Å; A662-P936 VanDerWaalsContact O-CB 3.25Å; A662-P936 WeakPolarHBondContact O-CB 3.43Å; A665-P936 HydrophobicContact CB-CB 4.22Å; A666-P936 WeakPolarHBondContact CA-O 3.48Å; A666-P936 HydrophobicContact CB-CB 4.07Å; L857-P936 HydrophobicContact CD1-CB 3.85Å; L857-P936 HydrophobicContact CD1-CG 4.01Å; L857-P936 HydrophobicContact CD2-CB 4.45Å; S934-P936 WeakPolarHBondContact O-CD 3.4Å; P936-L938 PolarHBondContact O-N 3.35Å; P936-Y939 VanDerWaalsContact O-CB 3.22Å; P936-Y939 WeakPolarHBondContact O-CB 3.43Å; P936-Y939 PolarHBondContact O-N 3.3Å
937	R	88.8	Confident	85.3	Confident	182 Å²	182	52 Å²	52	69%	0.687	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-62.6	-21.1	-177.5	-60.6	172.8	178.3	168.8	0.4	112.3	D935 Y939 M940	D935-R937 PolarHBondContact O-N 3.31Å; D935-R937 VanDerWaalsContact O-N 3.12Å; D935-R937 WeakPolarHBondContact OD1-CB 3.35Å; D935-R937 PolarHBondContact OD1-N 3.46Å; R937-Y939 PolarHBondContact O-N 2.95Å; R937-M940 WeakPolarHBondContact O-CB 3.28Å; R937-M940 PolarHBondContact O-N 2.96Å
938	L	86.1	Confident	85.2	Confident	16 Å²	16	50.2 Å²	50.2	8%	0.084	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-64.6	-28.7	175.6	-65.3	176.3	0	0	0	112.9	I927 L932 D935 P936 M940 K941	I927-L938 HydrophobicContact CD1-CD1 4.13Å; L932-L938 HydrophobicContact CD1-CB 4.26Å; L932-L938 HydrophobicContact CD1-CD1 4.13Å; D935-L938 HydrophobicContact CB-CD1 4.16Å; D935-L938 HydrophobicContact CB-CG 4.3Å; D935-L938 PolarHBondContact O-N 3.33Å; P936-L938 PolarHBondContact O-N 3.35Å; L938-M940 PolarHBondContact O-N 3.09Å; L938-K941 HydrophobicContact CD2-CD 4.39Å; L938-K941 VanDerWaalsContact CD2-NZ 3.28Å; L938-K941 WeakPolarHBondContact O-CB 3.47Å; L938-K941 PolarHBondContact O-N 3.38Å
939	Y	84.6	Confident	85	Confident	3 Å²	3	52.2 Å²	52.2	1%	0.012	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-59.4	-36.4	176.8	-174.1	-90.5	0	0	0	112	L400 G401 Q402 V403 A666 L668 L857 P936 R937 K941 I942 S943	L400-Y939 PolarHBondContact O-OH 3.36Å; G401-Y939 PolarHBondContact O-OH 2.64Å; Q402-Y939 PolarHBondContact N-OH 3.07Å; V403-Y939 PolarHBondContact N-OH 2.76Å; V403-Y939 PolarHBondContact O-OH 2.95Å; A666-Y939 HydrophobicContact CB-CD1 4.09Å; A666-Y939 HydrophobicContact CB-CG 4.21Å; L668-Y939 HydrophobicContact CD2-CD1 4.46Å; L668-Y939 HydrophobicContact CD2-CE1 3.69Å; L668-Y939 HydrophobicContact CG-CE1 4.27Å; L857-Y939 HydrophobicContact CD2-CD2 3.98Å; L857-Y939 HydrophobicContact CD2-CG 4.03Å; P936-Y939 VanDerWaalsContact O-CB 3.22Å; P936-Y939 WeakPolarHBondContact O-CB 3.43Å; P936-Y939 PolarHBondContact O-N 3.3Å; R937-Y939 PolarHBondContact O-N 2.95Å; Y939-K941 PolarHBondContact O-N 2.89Å; Y939-K941 VanDerWaalsContact O-N 3.08Å; Y939-I942 PolarHBondContact O-N 3.44Å; Y939-S943 PolarHBondContact O-N 3.16Å
940	M	79.6	Confident	84.8	Confident	43 Å²	43	56.2 Å²	56.2	21%	0.212	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-62.2	-22.9	-177.7	-158.3	-172.7	-144.4	0	0	114.2	K738 R937 L938 I942 S943	K738-M940 HydrophobicContact CB-CE 3.48Å; K738-M940 VanDerWaalsContact CB-CE 3.48Å; K738-M940 HydrophobicContact CB-SD 3.88Å; K738-M940 HydrophobicContact CD-CE 4.02Å; K738-M940 HydrophobicContact CD-CG 3.96Å; K738-M940 HydrophobicContact CD-SD 4.25Å; K738-M940 HydrophobicContact CG-CE 3.63Å; K738-M940 HydrophobicContact CG-SD 4.33Å; K738-M940 PolarHBondContact NZ-O 3.34Å; K738-M940 WeakPolarHBondContact O-CE 3.33Å; R937-M940 WeakPolarHBondContact O-CB 3.28Å; R937-M940 PolarHBondContact O-N 2.96Å; L938-M940 PolarHBondContact O-N 3.09Å; M940-I942 PolarHBondContact O-N 3.48Å; M940-S943 PolarHBondContact O-OG 3.34Å
941	K	75.7	Confident	84.8	Confident	143 Å²	143	53.8 Å²	53.8	62%	0.622	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-68.8	-23	176	-67.3	176.1	-179.7	164.1	0	112.7	L938 Y939	L938-K941 HydrophobicContact CD2-CD 4.39Å; L938-K941 VanDerWaalsContact CD2-NZ 3.28Å; L938-K941 WeakPolarHBondContact O-CB 3.47Å; L938-K941 PolarHBondContact O-N 3.38Å; Y939-K941 PolarHBondContact O-N 2.89Å; Y939-K941 VanDerWaalsContact O-N 3.08Å
942	I	78.2	Confident	84.8	Confident	9 Å²	9	52.8 Å²	52.8	5%	0.046	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-26.8	-175.6	-79.2	-178.4	0	0	0	112.2	G401 Q402 H861 Y864 V865 Y939 M940	G401-I942 WeakPolarHBondContact O-CG2 3.47Å; Q402-I942 PolarHBondContact NE2-O 3.48Å; H861-I942 WeakPolarHBondContact CD2-CD1 3.34Å; H861-I942 WeakPolarHBondContact CE1-CD1 3.49Å; H861-I942 WeakPolarHBondContact NE2-CD1 3.42Å; Y864-I942 HydrophobicContact CD1-CB 4.36Å; Y864-I942 HydrophobicContact CD1-CD1 4.23Å; Y864-I942 HydrophobicContact CD1-CG1 4.36Å; Y864-I942 HydrophobicContact CD1-CG2 3.25Å; Y864-I942 HydrophobicContact CE1-CB 4.48Å; Y864-I942 HydrophobicContact CE1-CG2 3.58Å; Y864-I942 HydrophobicContact CG-CG2 3.95Å; V865-I942 HydrophobicContact CG2-CD1 3.31Å; V865-I942 HydrophobicContact CG2-CG1 4.4Å; Y939-I942 PolarHBondContact O-N 3.44Å; M940-I942 PolarHBondContact O-N 3.48Å
943	S	72	Confident	84.9	Confident	14 Å²	14	52.9 Å²	52.9	10%	0.098	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	143.9	-176.4	69.7	0	0	0	0	113	K738 Y939 M940	K738-S943 PolarHBondContact NZ-O 3.43Å; K738-S943 PolarHBondContact NZ-OG 3.02Å; Y939-S943 PolarHBondContact O-N 3.16Å; M940-S943 PolarHBondContact O-OG 3.34Å
944	G	71.6	Confident	85	Confident	48 Å²	48	56.1 Å²	56.1	50%	0.495	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	25.8	-173.7	0	0	0	0	0	114.4	A946	G944-A946 VanDerWaalsContact C-N 3.28Å; G944-A946 PolarHBondContact O-N 3.43Å
945	N	81.8	Confident	85.2	Confident	28 Å²	28	55.3 Å²	55.3	15%	0.15	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	39.2	177.1	-160.1	13.6	0	0	0	114.3	S287 Y864 M947 L948 Q949	S287-N945 PolarHBondContact OG-ND2 2.86Å; Y864-N945 WeakPolarHBondContact CE2-OD1 3.4Å; Y864-N945 VanDerWaalsContact OH-CA 3.25Å; Y864-N945 WeakPolarHBondContact OH-CA 3.11Å; Y864-N945 PolarHBondContact OH-O 3.24Å; Y864-N945 PolarHBondContact OH-OD1 3.37Å; N945-M947 VanDerWaalsContact C-N 3.27Å; N945-M947 PolarHBondContact O-N 3.04Å; N945-L948 PolarHBondContact O-N 2.89Å; N945-L948 WeakPolarHBondContact OD1-CB 3.32Å; N945-Q949 PolarHBondContact O-N 3.48Å
946	A	80.7	Confident	85.4	Confident	34 Å²	34	53.8 Å²	53.8	28%	0.281	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-61.3	-31	-169	0	0	0	0	0	113.9	Y864 G944 P952	Y864-A946 PolarHBondContact OH-N 3.3Å; G944-A946 VanDerWaalsContact C-N 3.28Å; G944-A946 PolarHBondContact O-N 3.43Å; A946-P952 WeakPolarHBondContact O-CG 3.33Å
947	M	85	Confident	85.6	Confident	63 Å²	63	54.2 Å²	54.2	31%	0.31	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-78.9	-24.3	-177.1	-67.5	-170.9	70.6	0	0	113.8	Y864 V865 A868 Q872 N945 P952	Y864-M947 HydrophobicContact CE1-CB 3.94Å; Y864-M947 HydrophobicContact CE1-CG 3.95Å; Y864-M947 HydrophobicContact CE1-SD 4.08Å; Y864-M947 PolarHBondContact OH-N 2.85Å; V865-M947 HydrophobicContact CB-SD 4.43Å; V865-M947 HydrophobicContact CG1-CE 4.36Å; V865-M947 HydrophobicContact CG1-SD 4.32Å; V865-M947 HydrophobicContact CG2-SD 4.04Å; A868-M947 HydrophobicContact CB-CB 3.8Å; A868-M947 HydrophobicContact CB-CE 4.45Å; A868-M947 HydrophobicContact CB-SD 4.28Å; Q872-M947 PolarHBondContact NE2-O 3.03Å; N945-M947 VanDerWaalsContact C-N 3.27Å; N945-M947 PolarHBondContact O-N 3.04Å; M947-P952 WeakPolarHBondContact O-CB 3.36Å
948	L	87.6	Confident	85.9	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.026	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-107.7	17.4	178.4	-59.5	173.2	0	0	0	112.2	V284 F291 A868 V871 Q872 N945	V284-L948 HydrophobicContact CB-CD1 4.23Å; V284-L948 HydrophobicContact CG1-CD1 3.7Å; V284-L948 HydrophobicContact CG2-CD1 3.97Å; F291-L948 HydrophobicContact CE2-CB 4.44Å; F291-L948 HydrophobicContact CE2-CD2 3.99Å; F291-L948 HydrophobicContact CZ-CB 4.22Å; F291-L948 WeakPolarHBondContact CZ-O 3.41Å; A868-L948 HydrophobicContact CB-CD1 4.2Å; A868-L948 HydrophobicContact CB-CD2 4.03Å; A868-L948 HydrophobicContact CB-CG 3.88Å; V871-L948 HydrophobicContact CB-CD2 4.32Å; V871-L948 HydrophobicContact CG1-CD2 4.3Å; Q872-L948 HydrophobicContact CG-CD2 4.03Å; N945-L948 PolarHBondContact O-N 2.89Å; N945-L948 WeakPolarHBondContact OD1-CB 3.32Å
949	Q	89.1	Confident	86.3	Confident	117 Å²	117	52 Å²	52	55%	0.547	28%	0.283	S	S	.	.	S	Bend	trans	-74.7	165.8	173.6	-146.1	163.2	-23.9	0	0	110.7	N945 G951 P952 F953	N945-Q949 PolarHBondContact O-N 3.48Å; Q949-G951 PolarHBondContact O-N 3.32Å; Q949-P952 WeakPolarHBondContact O-CD 3.47Å; Q949-F953 WeakPolarHBondContact O-CB 3.29Å; Q949-F953 PolarHBondContact O-N 3.42Å
950	L	88.2	Confident	86.9	Confident	111 Å²	111	51.9 Å²	51.9	58%	0.581	28%	0.282	S	S	*	.	H	α-helix	trans	-58.1	-33	-176.3	-174	65	0	0	0	113.1	F953 L954	L950-F953 HydrophobicContact CD1-CD1 4.07Å; L950-F953 PolarHBondContact O-N 3.21Å; L950-L954 HydrophobicContact CD1-CD1 4.19Å; L950-L954 HydrophobicContact CD1-CD2 4.45Å; L950-L954 HydrophobicContact CD1-CG 4.05Å; L950-L954 HydrophobicContact CD2-CD1 4.38Å; L950-L954 HydrophobicContact CG-CD1 3.85Å; L950-L954 HydrophobicContact CG-CG 4.15Å; L950-L954 WeakPolarHBondContact O-CB 3.35Å; L950-L954 VanDerWaalsContact O-CG 3.27Å; L950-L954 WeakPolarHBondContact O-CG 3.35Å; L950-L954 PolarHBondContact O-N 3.41Å
951	G	90.6	Very high	87.6	Confident	50 Å²	50	51.6 Å²	51.6	52%	0.515	29%	0.287	S	S	.	.	H	α-helix	trans	-59.4	-64	179.8	0	0	0	0	0	113.3	Q949 F953 L954 Y955	Q949-G951 PolarHBondContact O-N 3.32Å; G951-F953 VanDerWaalsContact C-N 3.28Å; G951-F953 PolarHBondContact O-N 3.46Å; G951-L954 PolarHBondContact O-N 3.06Å; G951-Y955 PolarHBondContact O-N 3.18Å; G951-Y955 VanDerWaalsContact O-N 3.14Å
952	P	91.4	Very high	88.6	Confident	48 Å²	48	48.4 Å²	48.4	31%	0.312	27%	0.273	S	S	.	.	H	α-helix	trans	-56.3	-40.7	175	-27.7	35.4	0	0	0	113.2	A946 M947 Q949 L954 Y955 W956	A946-P952 WeakPolarHBondContact O-CG 3.33Å; M947-P952 WeakPolarHBondContact O-CB 3.36Å; Q949-P952 WeakPolarHBondContact O-CD 3.47Å; P952-L954 PolarHBondContact O-N 3.33Å; P952-Y955 WeakPolarHBondContact O-CB 3.32Å; P952-Y955 PolarHBondContact O-N 3.11Å; P952-Y955 VanDerWaalsContact O-N 3.16Å; P952-W956 PolarHBondContact O-N 3.04Å
953	F	91.7	Very high	89.5	Confident	4 Å²	4	48 Å²	48	2%	0.018	27%	0.271	C	S	.	.	H	α-helix	trans	-58.1	-44.9	178.2	172	-98.2	0	0	0	113.1	F291 V294 Y295 Q949 L950 G951 Y955 W956 T957	F291-F953 HydrophobicContact CB-CE2 3.87Å; F291-F953 HydrophobicContact CB-CZ 4.45Å; F291-F953 AromaticContact CD1-CD2 3.57Å; F291-F953 HydrophobicContact CD1-CD2 3.57Å; F291-F953 AromaticContact CD1-CE2 3.59Å; F291-F953 HydrophobicContact CD1-CE2 3.59Å; F291-F953 HydrophobicContact CD1-CG 4.05Å; F291-F953 HydrophobicContact CD1-CZ 4.1Å; F291-F953 AromaticContact CD2-CD2 3.78Å; F291-F953 HydrophobicContact CD2-CD2 3.78Å; F291-F953 AromaticContact CD2-CE2 3.92Å; F291-F953 HydrophobicContact CD2-CE2 3.92Å; F291-F953 HydrophobicContact CE1-CB 3.92Å; F291-F953 HydrophobicContact CE1-CD1 4.36Å; F291-F953 AromaticContact CE1-CD2 3.5Å; F291-F953 HydrophobicContact CE1-CD2 3.5Å; F291-F953 HydrophobicContact CE1-CE2 4.03Å; F291-F953 AromaticContact CE1-CG 3.66Å; F291-F953 HydrophobicContact CE1-CG 3.66Å; F291-F953 AromaticContact CE2-CD2 3.7Å; F291-F953 HydrophobicContact CE2-CD2 3.7Å; F291-F953 HydrophobicContact CE2-CE2 4.31Å; F291-F953 HydrophobicContact CE2-CG 4.46Å; F291-F953 AromaticContact CG-CD2 3.71Å; F291-F953 HydrophobicContact CG-CD2 3.71Å; F291-F953 AromaticContact CG-CE2 3.52Å; F291-F953 HydrophobicContact CG-CE2 3.52Å; F291-F953 HydrophobicContact CG-CZ 4.32Å; F291-F953 HydrophobicContact CZ-CB 3.8Å; F291-F953 AromaticContact CZ-CD2 3.56Å; F291-F953 HydrophobicContact CZ-CD2 3.56Å; F291-F953 HydrophobicContact CZ-CE2 4.36Å; F291-F953 AromaticContact CZ-CG 3.88Å; F291-F953 HydrophobicContact CZ-CG 3.88Å; V294-F953 HydrophobicContact CB-CZ 4.27Å; V294-F953 HydrophobicContact CG1-CE1 4.1Å; V294-F953 HydrophobicContact CG1-CZ 4.06Å; Y295-F953 HydrophobicContact CD2-CE2 4.23Å; Y295-F953 AromaticContact CD2-CZ 4Å; Y295-F953 HydrophobicContact CD2-CZ 4Å; Y295-F953 AromaticContact CE2-CE2 3.59Å; Y295-F953 HydrophobicContact CE2-CE2 3.59Å; Y295-F953 AromaticContact CE2-CZ 3.54Å; Y295-F953 HydrophobicContact CE2-CZ 3.54Å; Q949-F953 WeakPolarHBondContact O-CB 3.29Å; Q949-F953 PolarHBondContact O-N 3.42Å; L950-F953 HydrophobicContact CD1-CD1 4.07Å; L950-F953 PolarHBondContact O-N 3.21Å; G951-F953 VanDerWaalsContact C-N 3.28Å; G951-F953 PolarHBondContact O-N 3.46Å; F953-Y955 VanDerWaalsContact C-N 3.34Å; F953-W956 PolarHBondContact O-N 3.07Å; F953-T957 WeakPolarHBondContact O-CB 3.38Å; F953-T957 PolarHBondContact O-N 3.08Å; F953-T957 PolarHBondContact O-OG1 2.85Å
954	L	92.3	Very high	90.6	Very high	96 Å²	96	47.3 Å²	47.3	50%	0.503	27%	0.266	S	S	.	.	H	α-helix	trans	-66.7	-36.3	176.5	-71.7	174.1	0	0	0	112	L950 G951 P952 T957 F958	L950-L954 HydrophobicContact CD1-CD1 4.19Å; L950-L954 HydrophobicContact CD1-CD2 4.45Å; L950-L954 HydrophobicContact CD1-CG 4.05Å; L950-L954 HydrophobicContact CD2-CD1 4.38Å; L950-L954 HydrophobicContact CG-CD1 3.85Å; L950-L954 HydrophobicContact CG-CG 4.15Å; L950-L954 WeakPolarHBondContact O-CB 3.35Å; L950-L954 VanDerWaalsContact O-CG 3.27Å; L950-L954 WeakPolarHBondContact O-CG 3.35Å; L950-L954 PolarHBondContact O-N 3.41Å; G951-L954 PolarHBondContact O-N 3.06Å; P952-L954 PolarHBondContact O-N 3.33Å; L954-T957 PolarHBondContact O-N 3.1Å; L954-F958 WeakPolarHBondContact O-CB 3.46Å; L954-F958 PolarHBondContact O-N 2.9Å
955	Y	93.8	Very high	91.8	Very high	73 Å²	73	47.7 Å²	47.7	29%	0.286	26%	0.259	S	S	.	.	H	α-helix	trans	-59.2	-51.7	173.9	168.8	-97.7	0	0	0	111.7	G951 P952 F953 T957 F958 L959 E1078 L1081	G951-Y955 PolarHBondContact O-N 3.18Å; G951-Y955 VanDerWaalsContact O-N 3.14Å; P952-Y955 WeakPolarHBondContact O-CB 3.32Å; P952-Y955 PolarHBondContact O-N 3.11Å; P952-Y955 VanDerWaalsContact O-N 3.16Å; F953-Y955 VanDerWaalsContact C-N 3.34Å; Y955-T957 VanDerWaalsContact C-N 3.29Å; Y955-T957 PolarHBondContact O-N 3.41Å; Y955-F958 PolarHBondContact O-N 2.85Å; Y955-L959 HydrophobicContact CE1-CD2 4.44Å; Y955-L959 WeakPolarHBondContact O-CB 3.4Å; Y955-L959 PolarHBondContact O-N 3.25Å; Y955-E1078 PolarHBondContact OH-OE2 3.24Å; Y955-L1081 HydrophobicContact CE1-CD1 4.31Å; Y955-L1081 HydrophobicContact CE2-CD1 3.8Å; Y955-L1081 WeakPolarHBondContact OH-CD1 3.14Å
956	W	94.9	Very high	92.6	Very high	26 Å²	26	47.5 Å²	47.5	10%	0.098	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-36.5	178.6	-78.1	102.2	0	0	0	112.5	H869 Q872 Y876 P952 F953 L959 A960 D1011	H869-W956 AromaticContact NE2-CH2 3.83Å; H869-W956 AromaticContact NE2-CZ2 3.9Å; Q872-W956 HydrophobicContact CB-CD2 4.2Å; Q872-W956 HydrophobicContact CB-CG 4.14Å; Y876-W956 HydrophobicContact CD1-CE3 4.33Å; Y876-W956 HydrophobicContact CD1-CZ3 4.11Å; Y876-W956 AromaticContact CD2-CE3 3.99Å; Y876-W956 HydrophobicContact CD2-CE3 3.99Å; Y876-W956 HydrophobicContact CD2-CZ3 4.38Å; Y876-W956 AromaticContact CG-CE3 3.77Å; Y876-W956 HydrophobicContact CG-CE3 3.77Å; Y876-W956 HydrophobicContact CG-CZ3 4.02Å; P952-W956 PolarHBondContact O-N 3.04Å; F953-W956 PolarHBondContact O-N 3.07Å; W956-L959 HydrophobicContact CE3-CD2 4.41Å; W956-L959 PolarHBondContact O-N 3.36Å; W956-A960 WeakPolarHBondContact O-CB 3.28Å; W956-A960 PolarHBondContact O-N 3.41Å; W956-D1011 WeakPolarHBondContact CH2-OD2 3.49Å
957	T	93.6	Very high	93.3	Very high	26 Å²	26	45.9 Å²	45.9	16%	0.16	25%	0.246	C	C	.	.	H	α-helix	trans	-66.8	-41.9	176	-56.4	0	0	0	0	111.5	L879 F953 L954 Y955 A960 A961	L879-T957 HydrophobicContact CD2-CG2 3.73Å; F953-T957 WeakPolarHBondContact O-CB 3.38Å; F953-T957 PolarHBondContact O-N 3.08Å; F953-T957 PolarHBondContact O-OG1 2.85Å; L954-T957 PolarHBondContact O-N 3.1Å; Y955-T957 VanDerWaalsContact C-N 3.29Å; Y955-T957 PolarHBondContact O-N 3.41Å; T957-A960 PolarHBondContact O-N 2.92Å; T957-A961 PolarHBondContact O-N 2.99Å
958	F	95.1	Very high	93.9	Very high	147 Å²	147	43 Å²	43	65%	0.645	23%	0.231	S	C	*	.	H	α-helix	trans	-64.6	-44.1	174.8	174	-97.5	0	0	0	111.7	L954 Y955 A960 A961 F962	L954-F958 WeakPolarHBondContact O-CB 3.46Å; L954-F958 PolarHBondContact O-N 2.9Å; Y955-F958 PolarHBondContact O-N 2.85Å; F958-A960 VanDerWaalsContact C-N 3.32Å; F958-A960 PolarHBondContact O-N 3.25Å; F958-A961 WeakPolarHBondContact O-CB 3.26Å; F958-A961 PolarHBondContact O-N 3.49Å; F958-A961 VanDerWaalsContact O-N 3.12Å; F958-F962 PolarHBondContact O-N 3.08Å
959	L	95.5	Very high	94.3	Very high	4 Å²	4	46 Å²	46	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-58.3	-46.5	176.2	-176.5	65	0	0	0	110.8	Y876 Y955 W956 A961 F962 E963 P1077	Y876-L959 HydrophobicContact CD2-CD2 4.41Å; Y876-L959 HydrophobicContact CD2-CG 4.48Å; Y876-L959 HydrophobicContact CE2-CD2 4.01Å; Y876-L959 HydrophobicContact CE2-CG 4.01Å; Y955-L959 HydrophobicContact CE1-CD2 4.44Å; Y955-L959 WeakPolarHBondContact O-CB 3.4Å; Y955-L959 PolarHBondContact O-N 3.25Å; W956-L959 HydrophobicContact CE3-CD2 4.41Å; W956-L959 PolarHBondContact O-N 3.36Å; L959-A961 VanDerWaalsContact C-N 3.29Å; L959-A961 PolarHBondContact O-N 3.01Å; L959-F962 PolarHBondContact O-N 3.17Å; L959-E963 HydrophobicContact CD1-CG 4.27Å; L959-E963 VanDerWaalsContact CD1-OE1 3.32Å; L959-E963 WeakPolarHBondContact CD1-OE1 3.21Å; L959-E963 HydrophobicContact CG-CG 4.49Å; L959-E963 VanDerWaalsContact CG-OE1 3.28Å; L959-E963 WeakPolarHBondContact CG-OE1 3.15Å; L959-E963 WeakPolarHBondContact O-CG 3.31Å; L959-E963 PolarHBondContact O-N 2.9Å; L959-P1077 HydrophobicContact CD1-CB 4.46Å; L959-P1077 HydrophobicContact CD1-CG 3.92Å
960	A	95.9	Very high	94.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.8	-36.8	176	0	0	0	0	0	113.2	Y876 L879 C880 W956 T957 F958 G964	Y876-A960 HydrophobicContact CD2-CB 3.77Å; Y876-A960 HydrophobicContact CE2-CB 4.41Å; L879-A960 HydrophobicContact CB-CB 3.86Å; L879-A960 HydrophobicContact CD2-CB 3.75Å; L879-A960 HydrophobicContact CG-CB 3.81Å; C880-A960 WeakPolarHBondContact SG-CA 3.5Å; W956-A960 WeakPolarHBondContact O-CB 3.28Å; W956-A960 PolarHBondContact O-N 3.41Å; T957-A960 PolarHBondContact O-N 2.92Å; F958-A960 VanDerWaalsContact C-N 3.32Å; F958-A960 PolarHBondContact O-N 3.25Å; A960-G964 PolarHBondContact O-N 3.35Å
961	A	94.6	Very high	94.9	Very high	38 Å²	38	36.2 Å²	36.2	31%	0.314	20%	0.201	S	C	.	.	H	α-helix	trans	-66.8	-42.7	176.1	0	0	0	0	0	112.1	L883 T957 F958 L959 T965	L883-A961 HydrophobicContact CD2-CB 4.32Å; L883-A961 VanDerWaalsContact CD2-O 3.3Å; L883-A961 WeakPolarHBondContact CD2-O 2.99Å; T957-A961 PolarHBondContact O-N 2.99Å; F958-A961 WeakPolarHBondContact O-CB 3.26Å; F958-A961 PolarHBondContact O-N 3.49Å; F958-A961 VanDerWaalsContact O-N 3.12Å; L959-A961 VanDerWaalsContact C-N 3.29Å; L959-A961 PolarHBondContact O-N 3.01Å; A961-T965 VanDerWaalsContact O-CB 3.3Å; A961-T965 WeakPolarHBondContact O-CB 3.36Å; A961-T965 PolarHBondContact O-N 3.4Å; A961-T965 VanDerWaalsContact O-N 3.11Å; A961-T965 PolarHBondContact O-OG1 2.97Å
962	F	96.8	Very high	95.2	Very high	76 Å²	76	37.6 Å²	37.6	33%	0.333	19%	0.191	S	C	.	.	H	α-helix	trans	-61.7	-56.2	176.3	173.1	-102.2	0	0	0	111.1	F958 L959 G964 T965 V966 P1077	F958-F962 PolarHBondContact O-N 3.08Å; L959-F962 PolarHBondContact O-N 3.17Å; F962-G964 PolarHBondContact O-N 3.34Å; F962-T965 WeakPolarHBondContact O-CB 3.3Å; F962-T965 PolarHBondContact O-N 3.34Å; F962-T965 VanDerWaalsContact O-N 3.13Å; F962-V966 HydrophobicContact CD2-CG2 4.46Å; F962-V966 HydrophobicContact CE1-CG2 4.13Å; F962-V966 HydrophobicContact CE2-CG2 4.07Å; F962-V966 HydrophobicContact CZ-CG2 3.89Å; F962-V966 WeakPolarHBondContact O-CG2 3.4Å; F962-V966 PolarHBondContact O-N 3.15Å; F962-P1077 HydrophobicContact CD1-CG 4.04Å; F962-P1077 HydrophobicContact CE1-CG 3.77Å
963	E	97	Very high	95.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64	-43.4	-176.8	-65.9	178.5	-164.3	0	0	112.2	Y876 L959 T965 V966 F967	Y876-E963 WeakPolarHBondContact CE2-OE2 3.47Å; Y876-E963 VanDerWaalsContact CZ-OE2 3.23Å; Y876-E963 VanDerWaalsContact OH-CD 3.22Å; Y876-E963 PolarHBondContact OH-OE1 3.28Å; Y876-E963 PolarHBondContact OH-OE2 3.13Å; L959-E963 HydrophobicContact CD1-CG 4.27Å; L959-E963 VanDerWaalsContact CD1-OE1 3.32Å; L959-E963 WeakPolarHBondContact CD1-OE1 3.21Å; L959-E963 HydrophobicContact CG-CG 4.49Å; L959-E963 VanDerWaalsContact CG-OE1 3.28Å; L959-E963 WeakPolarHBondContact CG-OE1 3.15Å; L959-E963 WeakPolarHBondContact O-CG 3.31Å; L959-E963 PolarHBondContact O-N 2.9Å; E963-T965 PolarHBondContact O-N 3.21Å; E963-V966 PolarHBondContact O-N 3.07Å; E963-V966 VanDerWaalsContact O-N 3.13Å; E963-F967 HydrophobicContact CB-CE1 4.4Å; E963-F967 HydrophobicContact CB-CE2 4.1Å; E963-F967 HydrophobicContact CB-CZ 3.84Å; E963-F967 WeakPolarHBondContact O-CD1 3.46Å; E963-F967 VanDerWaalsContact O-CD2 3.3Å; E963-F967 WeakPolarHBondContact O-CD2 3.4Å; E963-F967 WeakPolarHBondContact O-CG 3.21Å; E963-F967 PolarHBondContact O-N 3.16Å
964	G	96.1	Very high	95.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-31.1	175.6	0	0	0	0	0	113.3	A960 F962 F968	A960-G964 PolarHBondContact O-N 3.35Å; F962-G964 PolarHBondContact O-N 3.34Å; G964-F968 PolarHBondContact O-N 2.8Å
965	T	96.6	Very high	95.3	Very high	56 Å²	56	40.9 Å²	40.9	34%	0.344	20%	0.198	S	C	.	.	H	α-helix	trans	-71.9	-42.8	173.6	-59	0	0	0	0	111	A961 F962 E963 F968 F969	A961-T965 VanDerWaalsContact O-CB 3.3Å; A961-T965 WeakPolarHBondContact O-CB 3.36Å; A961-T965 PolarHBondContact O-N 3.4Å; A961-T965 VanDerWaalsContact O-N 3.11Å; A961-T965 PolarHBondContact O-OG1 2.97Å; F962-T965 WeakPolarHBondContact O-CB 3.3Å; F962-T965 PolarHBondContact O-N 3.34Å; F962-T965 VanDerWaalsContact O-N 3.13Å; E963-T965 PolarHBondContact O-N 3.21Å; T965-F968 PolarHBondContact O-N 3.39Å; T965-F969 HydrophobicContact CG2-CD2 3.54Å; T965-F969 HydrophobicContact CG2-CE2 3.92Å; T965-F969 PolarHBondContact O-N 2.7Å
966	V	97.3	Very high	95.1	Very high	24 Å²	24	43.2 Å²	43.2	15%	0.145	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-43.7	176.5	172.1	0	0	0	0	111.3	F962 E963 F968 G970 L1070 I1073 S1074	F962-V966 HydrophobicContact CD2-CG2 4.46Å; F962-V966 HydrophobicContact CE1-CG2 4.13Å; F962-V966 HydrophobicContact CE2-CG2 4.07Å; F962-V966 HydrophobicContact CZ-CG2 3.89Å; F962-V966 WeakPolarHBondContact O-CG2 3.4Å; F962-V966 PolarHBondContact O-N 3.15Å; E963-V966 PolarHBondContact O-N 3.07Å; E963-V966 VanDerWaalsContact O-N 3.13Å; V966-F968 VanDerWaalsContact C-N 3.32Å; V966-F968 PolarHBondContact O-N 3.25Å; V966-G970 VanDerWaalsContact O-CA 3.31Å; V966-G970 WeakPolarHBondContact O-CA 3.12Å; V966-G970 PolarHBondContact O-N 2.9Å; V966-L1070 HydrophobicContact CG1-CD2 3.98Å; V966-I1073 HydrophobicContact CG1-CB 4.47Å; V966-I1073 HydrophobicContact CG1-CG2 4.05Å; V966-I1073 HydrophobicContact CG2-CG2 4.37Å; V966-S1074 WeakPolarHBondContact CG1-OG 3.47Å
967	F	96.6	Very high	94.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.8	-45.9	178.4	-57.1	-29.5	0	0	0	111.9	C880 P884 E963 T971 V996 V999 L1000 T1003 S1074	C880-F967 HydrophobicContact CB-CE2 4.2Å; P884-F967 HydrophobicContact CG-CB 4.31Å; E963-F967 HydrophobicContact CB-CE1 4.4Å; E963-F967 HydrophobicContact CB-CE2 4.1Å; E963-F967 HydrophobicContact CB-CZ 3.84Å; E963-F967 WeakPolarHBondContact O-CD1 3.46Å; E963-F967 VanDerWaalsContact O-CD2 3.3Å; E963-F967 WeakPolarHBondContact O-CD2 3.4Å; E963-F967 WeakPolarHBondContact O-CG 3.21Å; E963-F967 PolarHBondContact O-N 3.16Å; F967-T971 PolarHBondContact O-N 3.44Å; F967-T971 PolarHBondContact O-OG1 2.82Å; F967-V996 HydrophobicContact CB-CG1 4.14Å; F967-V999 HydrophobicContact CD1-CB 4.32Å; F967-V999 HydrophobicContact CD1-CG1 3.38Å; F967-V999 HydrophobicContact CE1-CG1 3.67Å; F967-V999 HydrophobicContact CG-CG1 4.32Å; F967-L1000 HydrophobicContact CD2-CB 4.37Å; F967-L1000 HydrophobicContact CD2-CD1 3.99Å; F967-L1000 HydrophobicContact CE2-CB 4.34Å; F967-L1000 HydrophobicContact CE2-CD1 3.57Å; F967-L1000 HydrophobicContact CZ-CD1 4.47Å; F967-T1003 HydrophobicContact CE1-CG2 3.89Å; F967-T1003 WeakPolarHBondContact CE1-OG1 3.43Å; F967-T1003 HydrophobicContact CZ-CG2 3.64Å; F967-S1074 WeakPolarHBondContact CE1-OG 3.48Å
968	F	97.2	Very high	93.8	Very high	1 Å²	1	49.3 Å²	49.3	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-72.7	-58.3	-177.7	-175.6	-93.9	0	0	0	112.2	P884 L887 Y888 F891 G964 T965 V966 G970 T971 Y972 F992	P884-F968 HydrophobicContact CB-CB 4.1Å; P884-F968 HydrophobicContact CB-CD2 4.2Å; L887-F968 HydrophobicContact CB-CB 4.48Å; L887-F968 HydrophobicContact CB-CD1 3.78Å; L887-F968 HydrophobicContact CB-CD2 4.17Å; L887-F968 HydrophobicContact CB-CE1 4.1Å; L887-F968 HydrophobicContact CB-CE2 4.43Å; L887-F968 HydrophobicContact CB-CG 3.84Å; L887-F968 HydrophobicContact CB-CZ 4.41Å; L887-F968 HydrophobicContact CD1-CB 3.94Å; L887-F968 HydrophobicContact CD1-CD1 4.09Å; L887-F968 HydrophobicContact CD1-CG 4.11Å; Y888-F968 AromaticContact CD2-CE2 3.93Å; Y888-F968 HydrophobicContact CD2-CE2 3.93Å; Y888-F968 HydrophobicContact CD2-CZ 4.39Å; Y888-F968 HydrophobicContact CG-CE2 4.36Å; F891-F968 AromaticContact CD2-CE1 3.7Å; F891-F968 HydrophobicContact CD2-CE1 3.7Å; F891-F968 AromaticContact CD2-CZ 3.42Å; F891-F968 HydrophobicContact CD2-CZ 3.42Å; F891-F968 VanDerWaalsContact CD2-CZ 3.42Å; F891-F968 HydrophobicContact CE2-CD1 4.47Å; F891-F968 AromaticContact CE2-CE1 3.28Å; F891-F968 HydrophobicContact CE2-CE1 3.28Å; F891-F968 AromaticContact CE2-CZ 3.55Å; F891-F968 HydrophobicContact CE2-CZ 3.55Å; F891-F968 HydrophobicContact CG-CZ 4.37Å; F891-F968 HydrophobicContact CZ-CE1 4.08Å; G964-F968 PolarHBondContact O-N 2.8Å; T965-F968 PolarHBondContact O-N 3.39Å; V966-F968 VanDerWaalsContact C-N 3.32Å; V966-F968 PolarHBondContact O-N 3.25Å; F968-G970 PolarHBondContact O-N 3.01Å; F968-T971 PolarHBondContact O-N 2.73Å; F968-Y972 WeakPolarHBondContact O-CB 3.43Å; F968-Y972 PolarHBondContact O-N 3.41Å; F968-F992 HydrophobicContact CD2-CE1 4.28Å; F968-F992 HydrophobicContact CD2-CZ 4.36Å; F968-F992 AromaticContact CE2-CE1 3.86Å; F968-F992 HydrophobicContact CE2-CE1 3.86Å; F968-F992 HydrophobicContact CE2-CZ 4.04Å; F968-F992 HydrophobicContact CZ-CZ 4.48Å
969	F	97.1	Very high	93.3	Very high	70 Å²	70	44 Å²	44	31%	0.307	24%	0.242	S	C	.	.	H	α-helix	trans	-70	-33.6	-175.3	-78.4	-69.5	0	0	0	112.7	L887 F891 T965 T971 Y972 F973	L887-F969 HydrophobicContact CD1-CE2 4.17Å; F891-F969 HydrophobicContact CZ-CE1 4.27Å; T965-F969 HydrophobicContact CG2-CD2 3.54Å; T965-F969 HydrophobicContact CG2-CE2 3.92Å; T965-F969 PolarHBondContact O-N 2.7Å; F969-T971 VanDerWaalsContact C-N 3.35Å; F969-T971 PolarHBondContact O-N 2.78Å; F969-Y972 HydrophobicContact CD1-CD1 4.41Å; F969-Y972 PolarHBondContact O-N 2.83Å; F969-F973 HydrophobicContact CB-CD2 4.46Å; F969-F973 HydrophobicContact CB-CE2 4.05Å; F969-F973 HydrophobicContact CD1-CZ 4.4Å; F969-F973 WeakPolarHBondContact O-CD2 3.46Å; F969-F973 WeakPolarHBondContact O-CG 3.47Å; F969-F973 PolarHBondContact O-N 2.98Å
970	G	95.1	Very high	92.8	Very high	21 Å²	21	44.7 Å²	44.7	22%	0.216	25%	0.246	C	C	.	.	H	α-helix	trans	-58.7	-45.9	173.8	0	0	0	0	0	112.5	V966 F968 L974	V966-G970 VanDerWaalsContact O-CA 3.31Å; V966-G970 WeakPolarHBondContact O-CA 3.12Å; V966-G970 PolarHBondContact O-N 2.9Å; F968-G970 PolarHBondContact O-N 3.01Å; G970-L974 PolarHBondContact O-N 3.07Å
971	T	94.9	Very high	92.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-71	-36.9	175.5	-47.4	0	0	0	0	111.6	F967 F968 F969 F973 L974 F975 F992 I995 V996	F967-T971 PolarHBondContact O-N 3.44Å; F967-T971 PolarHBondContact O-OG1 2.82Å; F968-T971 PolarHBondContact O-N 2.73Å; F969-T971 VanDerWaalsContact C-N 3.35Å; F969-T971 PolarHBondContact O-N 2.78Å; T971-F973 PolarHBondContact O-N 3.07Å; T971-L974 WeakPolarHBondContact O-CB 3.45Å; T971-L974 PolarHBondContact O-N 2.98Å; T971-F975 HydrophobicContact CG2-CD2 4.16Å; T971-F975 HydrophobicContact CG2-CE2 4.07Å; T971-F975 WeakPolarHBondContact O-CD2 3.27Å; T971-F975 PolarHBondContact O-N 3.36Å; T971-F975 VanDerWaalsContact O-N 3.14Å; T971-F992 HydrophobicContact CG2-CD2 3.63Å; T971-F992 HydrophobicContact CG2-CE2 3.52Å; T971-F992 HydrophobicContact CG2-CG 4.46Å; T971-F992 HydrophobicContact CG2-CZ 4.24Å; T971-I995 HydrophobicContact CG2-CB 3.97Å; T971-I995 HydrophobicContact CG2-CG2 3.62Å; T971-V996 HydrophobicContact CG2-CG2 4.06Å
972	Y	95.2	Very high	91.7	Very high	79 Å²	79	52 Å²	52	31%	0.31	27%	0.274	S	S	.	.	H	α-helix	trans	-61.3	-41.6	177.1	177.5	-101	0	0	0	112.6	F891 F968 F969 L974 F975 Q976	F891-Y972 HydrophobicContact CD1-CE2 4.04Å; F891-Y972 AromaticContact CE1-CE2 3.9Å; F891-Y972 HydrophobicContact CE1-CE2 3.9Å; F891-Y972 AromaticContact CE1-CZ 3.9Å; F968-Y972 WeakPolarHBondContact O-CB 3.43Å; F968-Y972 PolarHBondContact O-N 3.41Å; F969-Y972 HydrophobicContact CD1-CD1 4.41Å; F969-Y972 PolarHBondContact O-N 2.83Å; Y972-L974 VanDerWaalsContact C-N 3.35Å; Y972-F975 PolarHBondContact O-N 2.88Å; Y972-Q976 VanDerWaalsContact CE1-NE2 3.25Å; Y972-Q976 PolarHBondContact OH-NE2 3.35Å
973	F	94.6	Very high	91.1	Very high	134 Å²	134	54.1 Å²	54.1	59%	0.588	29%	0.289	S	S	*	.	H	α-helix	trans	-69	-33.3	176.1	-65.7	-44.3	0	0	0	112.5	F969 T971 F975 Q976	F969-F973 HydrophobicContact CB-CD2 4.46Å; F969-F973 HydrophobicContact CB-CE2 4.05Å; F969-F973 HydrophobicContact CD1-CZ 4.4Å; F969-F973 WeakPolarHBondContact O-CD2 3.46Å; F969-F973 WeakPolarHBondContact O-CG 3.47Å; F969-F973 PolarHBondContact O-N 2.98Å; T971-F973 PolarHBondContact O-N 3.07Å; F973-F975 VanDerWaalsContact C-N 3.28Å; F973-F975 PolarHBondContact O-N 3.48Å; F973-Q976 WeakPolarHBondContact O-CG 3.38Å; F973-Q976 PolarHBondContact O-N 2.91Å
974	L	92.8	Very high	90.4	Very high	30 Å²	30	56.5 Å²	56.5	16%	0.157	31%	0.313	C	S	.	.	H	α-helix	trans	-60.7	-39	172.7	-176.8	67.6	0	0	0	111.8	G970 T971 Y972 Q976 L980 A1066	G970-L974 PolarHBondContact O-N 3.07Å; T971-L974 WeakPolarHBondContact O-CB 3.45Å; T971-L974 PolarHBondContact O-N 2.98Å; Y972-L974 VanDerWaalsContact C-N 3.35Å; L974-Q976 VanDerWaalsContact C-N 3.26Å; L974-Q976 PolarHBondContact O-N 3.27Å; L974-L980 HydrophobicContact CD1-CD2 3.93Å; L974-L980 HydrophobicContact CD2-CD1 3.99Å; L974-L980 HydrophobicContact CG-CD1 3.84Å; L974-L980 HydrophobicContact CG-CD2 4.07Å; L974-A1066 HydrophobicContact CD1-CB 4.06Å; L974-A1066 HydrophobicContact CD2-CB 3.64Å; L974-A1066 HydrophobicContact CG-CB 4.41Å
975	F	91.1	Very high	90	Very high	53 Å²	53	61.9 Å²	61.9	23%	0.232	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	1.5	-177.4	-87.7	-123.4	0	0	0	114.6	T971 Y972 F973 T977 L980 Y987 F992 I995	T971-F975 HydrophobicContact CG2-CD2 4.16Å; T971-F975 HydrophobicContact CG2-CE2 4.07Å; T971-F975 WeakPolarHBondContact O-CD2 3.27Å; T971-F975 PolarHBondContact O-N 3.36Å; T971-F975 VanDerWaalsContact O-N 3.14Å; Y972-F975 PolarHBondContact O-N 2.88Å; F973-F975 VanDerWaalsContact C-N 3.28Å; F973-F975 PolarHBondContact O-N 3.48Å; F975-T977 PolarHBondContact O-N 3.14Å; F975-L980 HydrophobicContact CD2-CD1 4.08Å; F975-L980 HydrophobicContact CE2-CD1 3.9Å; F975-Y987 HydrophobicContact CE1-CD2 4.26Å; F975-Y987 HydrophobicContact CE2-CD2 4.22Å; F975-Y987 AromaticContact CZ-CD2 3.67Å; F975-Y987 HydrophobicContact CZ-CD2 3.67Å; F975-Y987 HydrophobicContact CZ-CG 4.32Å; F975-F992 HydrophobicContact CD1-CB 4.41Å; F975-F992 AromaticContact CD1-CD2 3.84Å; F975-F992 HydrophobicContact CD1-CD2 3.84Å; F975-F992 AromaticContact CD2-CD2 3.91Å; F975-F992 HydrophobicContact CD2-CD2 3.91Å; F975-F992 HydrophobicContact CD2-CE2 4.45Å; F975-F992 HydrophobicContact CE1-CB 3.79Å; F975-F992 AromaticContact CE1-CD2 3.94Å; F975-F992 HydrophobicContact CE1-CD2 3.94Å; F975-F992 HydrophobicContact CE1-CG 4.37Å; F975-F992 HydrophobicContact CE2-CD2 4.03Å; F975-F992 AromaticContact CG-CD2 3.82Å; F975-F992 HydrophobicContact CG-CD2 3.82Å; F975-F992 HydrophobicContact CG-CE2 4.38Å; F975-F992 HydrophobicContact CZ-CB 3.94Å; F975-F992 HydrophobicContact CZ-CD2 4.03Å; F975-I995 HydrophobicContact CE2-CD1 3.56Å; F975-I995 HydrophobicContact CZ-CD1 3.81Å
976	Q	90.1	Very high	89.7	Confident	122 Å²	122	64.6 Å²	64.6	57%	0.57	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-18.1	169.9	-61.9	-60	-35.2	0	0	112.1	Y972 F973 L974	Y972-Q976 VanDerWaalsContact CE1-NE2 3.25Å; Y972-Q976 PolarHBondContact OH-NE2 3.35Å; F973-Q976 WeakPolarHBondContact O-CG 3.38Å; F973-Q976 PolarHBondContact O-N 2.91Å; L974-Q976 VanDerWaalsContact C-N 3.26Å; L974-Q976 PolarHBondContact O-N 3.27Å
977	T	85.4	Confident	89.4	Confident	87 Å²	87	65 Å²	65	53%	0.534	35%	0.352	S	S	.	.	S	Bend	trans	-86.2	129.9	171.3	-46.3	0	0	0	0	109.9	F975 S979	F975-T977 PolarHBondContact O-N 3.14Å; T977-S979 WeakPolarHBondContact CG2-O 3.48Å; T977-S979 PolarHBondContact O-N 3.17Å
978	A	75.4	Confident	89.1	Confident	93 Å²	93	66.9 Å²	66.9	77%	0.769	37%	0.371	S	S	*	.	S	Bend	trans	-64.9	-23.6	-175.7	0	0	0	0	0	114.5
979	S	84.7	Confident	88.8	Confident	35 Å²	35	70.3 Å²	70.3	25%	0.245	39%	0.389	C	S	.	.			trans	-142.8	139.3	174	-173	0	0	0	0	111.5	T977 E981 G984 K985	T977-S979 WeakPolarHBondContact CG2-O 3.48Å; T977-S979 PolarHBondContact O-N 3.17Å; S979-E981 PolarHBondContact OG-O 3.13Å; S979-G984 WeakPolarHBondContact OG-CA 3.12Å; S979-G984 PolarHBondContact OG-O 2.85Å; S979-K985 WeakPolarHBondContact CB-O 3.48Å; S979-K985 PolarHBondContact OG-N 3.37Å; S979-K985 PolarHBondContact OG-O 2.89Å
980	L	85.2	Confident	88.6	Confident	19 Å²	19	68.6 Å²	68.6	10%	0.099	38%	0.381	C	S	.	.			trans	-113.5	-11.9	177.1	-63.2	173.7	0	0	0	112.4	L974 F975 Y987 S1060	L974-L980 HydrophobicContact CD1-CD2 3.93Å; L974-L980 HydrophobicContact CD2-CD1 3.99Å; L974-L980 HydrophobicContact CG-CD1 3.84Å; L974-L980 HydrophobicContact CG-CD2 4.07Å; F975-L980 HydrophobicContact CD2-CD1 4.08Å; F975-L980 HydrophobicContact CE2-CD1 3.9Å; L980-Y987 HydrophobicContact CB-CD2 4.32Å; L980-Y987 HydrophobicContact CB-CE2 3.8Å; L980-Y987 HydrophobicContact CD1-CD2 3.77Å; L980-Y987 HydrophobicContact CD1-CE2 3.7Å; L980-Y987 HydrophobicContact CG-CD2 4.45Å; L980-Y987 HydrophobicContact CG-CE2 4.3Å; L980-S1060 WeakPolarHBondContact O-CB 3.33Å; L980-S1060 PolarHBondContact O-OG 3.49Å
981	E	85.7	Confident	88.4	Confident	14 Å²	14	67.9 Å²	67.9	7%	0.065	37%	0.372	C	S	.	.	S	Bend	trans	-86.3	146.3	174.9	-76.2	-174.3	-137.5	0	0	110.5	S979 N983 G984 Y987 Q1056	S979-E981 PolarHBondContact OG-O 3.13Å; E981-N983 PolarHBondContact O-N 3.28Å; E981-N983 VanDerWaalsContact O-N 3.14Å; E981-G984 PolarHBondContact O-N 3.46Å; E981-Y987 HydrophobicContact CG-CE1 3.94Å; E981-Y987 WeakPolarHBondContact OE1-CE1 3.17Å; E981-Q1056 WeakPolarHBondContact OE1-CG 3.24Å; E981-Q1056 PolarHBondContact OE1-NE2 3.44Å
982	E	81.1	Confident	88.4	Confident	178 Å²	178	68.6 Å²	68.6	83%	0.832	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.1	172	-64.6	-176.2	175.2	0	0	112.2	G984	E982-G984 VanDerWaalsContact C-N 3.28Å; E982-G984 PolarHBondContact O-N 2.98Å
983	N	83.9	Confident	88.4	Confident	121 Å²	121	65 Å²	65	65%	0.647	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-1.6	179.4	-57.6	-29.2	0	0	0	114	E981 K985	E981-N983 PolarHBondContact O-N 3.28Å; E981-N983 VanDerWaalsContact O-N 3.14Å; N983-K985 VanDerWaalsContact C-N 3.31Å; N983-K985 HydrophobicContact CB-CG 4.36Å; N983-K985 PolarHBondContact O-N 2.93Å
984	G	82.7	Confident	88.3	Confident	49 Å²	49	58.6 Å²	58.6	51%	0.505	33%	0.334	S	S	.	.			trans	75.1	11.4	179.2	0	0	0	0	0	115.4	S979 E981 E982	S979-G984 WeakPolarHBondContact OG-CA 3.12Å; S979-G984 PolarHBondContact OG-O 2.85Å; E981-G984 PolarHBondContact O-N 3.46Å; E982-G984 VanDerWaalsContact C-N 3.28Å; E982-G984 PolarHBondContact O-N 2.98Å
985	K	88.4	Confident	88.4	Confident	113 Å²	113	57.3 Å²	57.3	49%	0.491	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-72.3	154.3	179.5	-64.8	-176.2	-171.7	166.9	0	112.1	S979 N983	S979-K985 WeakPolarHBondContact CB-O 3.48Å; S979-K985 PolarHBondContact OG-N 3.37Å; S979-K985 PolarHBondContact OG-O 2.89Å; N983-K985 VanDerWaalsContact C-N 3.31Å; N983-K985 HydrophobicContact CB-CG 4.36Å; N983-K985 PolarHBondContact O-N 2.93Å
986	V	90.1	Very high	88.7	Confident	113 Å²	113	54.8 Å²	54.8	69%	0.685	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-90.1	153	177.7	-61.5	0	0	0	0	111.6
987	Y	90.6	Very high	89	Confident	33 Å²	33	49 Å²	49	13%	0.129	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-103	135.1	174.2	-77.3	-14.3	0	0	0	112.4	F975 L980 E981 T991 Q1056 M1057 S1060	F975-Y987 HydrophobicContact CE1-CD2 4.26Å; F975-Y987 HydrophobicContact CE2-CD2 4.22Å; F975-Y987 AromaticContact CZ-CD2 3.67Å; F975-Y987 HydrophobicContact CZ-CD2 3.67Å; F975-Y987 HydrophobicContact CZ-CG 4.32Å; L980-Y987 HydrophobicContact CB-CD2 4.32Å; L980-Y987 HydrophobicContact CB-CE2 3.8Å; L980-Y987 HydrophobicContact CD1-CD2 3.77Å; L980-Y987 HydrophobicContact CD1-CE2 3.7Å; L980-Y987 HydrophobicContact CG-CD2 4.45Å; L980-Y987 HydrophobicContact CG-CE2 4.3Å; E981-Y987 HydrophobicContact CG-CE1 3.94Å; E981-Y987 WeakPolarHBondContact OE1-CE1 3.17Å; Y987-T991 HydrophobicContact CD1-CG2 4.02Å; Y987-T991 HydrophobicContact CD2-CG2 3.96Å; Y987-T991 HydrophobicContact CE1-CG2 4.31Å; Y987-T991 HydrophobicContact CE2-CG2 4.25Å; Y987-T991 HydrophobicContact CG-CG2 3.82Å; Y987-Q1056 HydrophobicContact CE1-CG 4.26Å; Y987-M1057 PolarHBondContact OH-O 2.85Å; Y987-S1060 WeakPolarHBondContact OH-CB 3.32Å
988	G	90	Very high	89.5	Confident	39 Å²	39	45.1 Å²	45.1	40%	0.402	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-78.9	168.9	173.7	0	0	0	0	0	113.4	W990 T991 F992	G988-W990 VanDerWaalsContact C-N 3.33Å; G988-W990 PolarHBondContact O-N 3.23Å; G988-T991 PolarHBondContact N-OG1 3Å; G988-T991 VanDerWaalsContact O-CB 3.27Å; G988-T991 WeakPolarHBondContact O-CB 3.41Å; G988-T991 PolarHBondContact O-N 3.36Å; G988-T991 VanDerWaalsContact O-N 3.11Å; G988-T991 PolarHBondContact O-OG1 3.44Å; G988-F992 PolarHBondContact O-N 3.45Å
989	N	91.1	Very high	90.5	Very high	73 Å²	73	40.7 Å²	40.7	39%	0.39	23%	0.229	S	C	.	.	H	α-helix	trans	-59	-37.8	177.5	63.9	-20.1	0	0	0	113.7	T991 F992 G993	N989-T991 VanDerWaalsContact C-N 3.27Å; N989-T991 PolarHBondContact O-N 3.12Å; N989-F992 WeakPolarHBondContact O-CB 3.44Å; N989-F992 PolarHBondContact O-N 2.97Å; N989-G993 PolarHBondContact O-N 3.47Å
990	W	91.8	Very high	91	Very high	35 Å²	35	39 Å²	39	13%	0.133	22%	0.217	C	C	.	.	H	α-helix	trans	-65.6	-32.3	177	-64.5	110.2	0	0	0	112.1	P898 D901 G988 F992 G993 T994 R1049 M1050 V1053	P898-W990 HydrophobicContact CG-CH2 4.42Å; D901-W990 HydrophobicContact CB-CE3 4.47Å; D901-W990 HydrophobicContact CB-CZ3 4.42Å; G988-W990 VanDerWaalsContact C-N 3.33Å; G988-W990 PolarHBondContact O-N 3.23Å; W990-F992 VanDerWaalsContact C-N 3.35Å; W990-G993 PolarHBondContact O-N 2.88Å; W990-T994 VanDerWaalsContact O-CG2 3.25Å; W990-T994 WeakPolarHBondContact O-CG2 2.97Å; W990-T994 PolarHBondContact O-N 2.88Å; W990-T994 PolarHBondContact O-OG1 3.38Å; W990-R1049 HydrophobicContact CD2-CG 4.5Å; W990-R1049 VanDerWaalsContact CH2-NH1 3.27Å; W990-R1049 VanDerWaalsContact CZ2-CD 3.42Å; W990-R1049 HydrophobicContact CZ2-CG 4.44Å; W990-M1050 HydrophobicContact CB-SD 3.88Å; W990-M1050 HydrophobicContact CD2-SD 4.44Å; W990-M1050 HydrophobicContact CE3-SD 4.34Å; W990-M1050 HydrophobicContact CG-SD 4.26Å; W990-V1053 HydrophobicContact CB-CG1 4.4Å
991	T	92.8	Very high	91.5	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.031	21%	0.213	C	C	.	.	H	α-helix	trans	-64.5	-41.3	173.5	-39.6	0	0	0	0	111	Y987 G988 N989 G993 T994 I995 V1053 M1057	Y987-T991 HydrophobicContact CD1-CG2 4.02Å; Y987-T991 HydrophobicContact CD2-CG2 3.96Å; Y987-T991 HydrophobicContact CE1-CG2 4.31Å; Y987-T991 HydrophobicContact CE2-CG2 4.25Å; Y987-T991 HydrophobicContact CG-CG2 3.82Å; G988-T991 PolarHBondContact N-OG1 3Å; G988-T991 VanDerWaalsContact O-CB 3.27Å; G988-T991 WeakPolarHBondContact O-CB 3.41Å; G988-T991 PolarHBondContact O-N 3.36Å; G988-T991 VanDerWaalsContact O-N 3.11Å; G988-T991 PolarHBondContact O-OG1 3.44Å; N989-T991 VanDerWaalsContact C-N 3.27Å; N989-T991 PolarHBondContact O-N 3.12Å; T991-G993 VanDerWaalsContact C-N 3.35Å; T991-T994 WeakPolarHBondContact CA-OG1 3.34Å; T991-T994 PolarHBondContact O-N 3.22Å; T991-T994 PolarHBondContact O-OG1 3.39Å; T991-I995 HydrophobicContact CG2-CD1 4.48Å; T991-I995 WeakPolarHBondContact O-CG1 3.44Å; T991-I995 PolarHBondContact O-N 3.02Å; T991-V1053 HydrophobicContact CG2-CG1 4.45Å; T991-M1057 HydrophobicContact CG2-CB 3.92Å; T991-M1057 HydrophobicContact CG2-CG 4.13Å
992	F	94.2	Very high	92	Very high	16 Å²	16	40.1 Å²	40.1	7%	0.07	22%	0.221	C	C	.	.	H	α-helix	trans	-60.2	-46.8	173.4	-179.1	-93.1	0	0	0	111	Y888 L899 F968 T971 F975 G988 N989 W990 T994 I995 V996	Y888-F992 HydrophobicContact CD2-CE1 4.28Å; Y888-F992 HydrophobicContact CE2-CD1 4.43Å; Y888-F992 HydrophobicContact CE2-CE1 4.48Å; L899-F992 HydrophobicContact CD1-CD1 3.54Å; L899-F992 HydrophobicContact CD1-CE1 3.84Å; F968-F992 HydrophobicContact CD2-CE1 4.28Å; F968-F992 HydrophobicContact CD2-CZ 4.36Å; F968-F992 AromaticContact CE2-CE1 3.86Å; F968-F992 HydrophobicContact CE2-CE1 3.86Å; F968-F992 HydrophobicContact CE2-CZ 4.04Å; F968-F992 HydrophobicContact CZ-CZ 4.48Å; T971-F992 HydrophobicContact CG2-CD2 3.63Å; T971-F992 HydrophobicContact CG2-CE2 3.52Å; T971-F992 HydrophobicContact CG2-CG 4.46Å; T971-F992 HydrophobicContact CG2-CZ 4.24Å; F975-F992 HydrophobicContact CD1-CB 4.41Å; F975-F992 AromaticContact CD1-CD2 3.84Å; F975-F992 HydrophobicContact CD1-CD2 3.84Å; F975-F992 AromaticContact CD2-CD2 3.91Å; F975-F992 HydrophobicContact CD2-CD2 3.91Å; F975-F992 HydrophobicContact CD2-CE2 4.45Å; F975-F992 HydrophobicContact CE1-CB 3.79Å; F975-F992 AromaticContact CE1-CD2 3.94Å; F975-F992 HydrophobicContact CE1-CD2 3.94Å; F975-F992 HydrophobicContact CE1-CG 4.37Å; F975-F992 HydrophobicContact CE2-CD2 4.03Å; F975-F992 AromaticContact CG-CD2 3.82Å; F975-F992 HydrophobicContact CG-CD2 3.82Å; F975-F992 HydrophobicContact CG-CE2 4.38Å; F975-F992 HydrophobicContact CZ-CB 3.94Å; F975-F992 HydrophobicContact CZ-CD2 4.03Å; G988-F992 PolarHBondContact O-N 3.45Å; N989-F992 WeakPolarHBondContact O-CB 3.44Å; N989-F992 PolarHBondContact O-N 2.97Å; W990-F992 VanDerWaalsContact C-N 3.35Å; F992-T994 PolarHBondContact O-N 2.88Å; F992-I995 PolarHBondContact O-N 3.46Å; F992-V996 HydrophobicContact CD1-CG2 4.5Å; F992-V996 HydrophobicContact CE1-CG2 4.1Å; F992-V996 HydrophobicContact CZ-CG2 4.29Å; F992-V996 WeakPolarHBondContact O-CG2 3.42Å; F992-V996 PolarHBondContact O-N 3.01Å
993	G	93.9	Very high	92.8	Very high	2 Å²	2	31.6 Å²	31.6	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-59.5	-40.6	174.7	0	0	0	0	0	113.7	L899 N989 W990 T991 F997	L899-G993 WeakPolarHBondContact O-CA 3.26Å; N989-G993 PolarHBondContact O-N 3.47Å; W990-G993 PolarHBondContact O-N 2.88Å; T991-G993 VanDerWaalsContact C-N 3.35Å; G993-F997 VanDerWaalsContact O-CB 3.28Å; G993-F997 WeakPolarHBondContact O-CB 3.37Å; G993-F997 PolarHBondContact O-N 2.79Å
994	T	94.1	Very high	93.4	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-70	-34.3	178.6	57.2	0	0	0	0	113.2	Y904 W990 T991 F992 F997 T998 M1050 V1053 M1057	Y904-T994 HydrophobicContact CE2-CG2 3.81Å; W990-T994 VanDerWaalsContact O-CG2 3.25Å; W990-T994 WeakPolarHBondContact O-CG2 2.97Å; W990-T994 PolarHBondContact O-N 2.88Å; W990-T994 PolarHBondContact O-OG1 3.38Å; T991-T994 WeakPolarHBondContact CA-OG1 3.34Å; T991-T994 PolarHBondContact O-N 3.22Å; T991-T994 PolarHBondContact O-OG1 3.39Å; F992-T994 PolarHBondContact O-N 2.88Å; T994-F997 PolarHBondContact O-N 3.41Å; T994-T998 WeakPolarHBondContact O-CB 3.45Å; T994-T998 PolarHBondContact O-N 3.41Å; T994-T998 PolarHBondContact O-OG1 2.69Å; T994-M1050 HydrophobicContact CG2-CE 3.27Å; T994-M1050 HydrophobicContact CG2-SD 4.34Å; T994-V1053 HydrophobicContact CG2-CG1 4.18Å; T994-M1057 PolarHBondContact OG1-SD 3.46Å
995	I	95.1	Very high	94	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-64.9	-51.5	175.2	-67.3	166.4	0	0	0	109.8	T971 F975 T991 F992 F997 T998 V999 M1057 T1063 I1067	T971-I995 HydrophobicContact CG2-CB 3.97Å; T971-I995 HydrophobicContact CG2-CG2 3.62Å; F975-I995 HydrophobicContact CE2-CD1 3.56Å; F975-I995 HydrophobicContact CZ-CD1 3.81Å; T991-I995 HydrophobicContact CG2-CD1 4.48Å; T991-I995 WeakPolarHBondContact O-CG1 3.44Å; T991-I995 PolarHBondContact O-N 3.02Å; F992-I995 PolarHBondContact O-N 3.46Å; I995-F997 VanDerWaalsContact C-N 3.26Å; I995-F997 PolarHBondContact O-N 2.95Å; I995-T998 WeakPolarHBondContact O-CB 3.21Å; I995-T998 PolarHBondContact O-N 3.04Å; I995-T998 VanDerWaalsContact O-N 3.12Å; I995-V999 WeakPolarHBondContact O-CG2 3.39Å; I995-V999 PolarHBondContact O-N 3.41Å; I995-M1057 HydrophobicContact CB-SD 4.26Å; I995-M1057 HydrophobicContact CD1-CG 4.1Å; I995-M1057 HydrophobicContact CD1-SD 4.5Å; I995-M1057 HydrophobicContact CG1-CG 3.54Å; I995-M1057 HydrophobicContact CG1-SD 3.37Å; I995-M1057 WeakPolarHBondContact CG1-SD 3.24Å; I995-T1063 HydrophobicContact CD1-CG2 3.79Å; I995-T1063 HydrophobicContact CG1-CG2 3.92Å; I995-I1067 HydrophobicContact CG2-CG1 4.33Å
996	V	96.5	Very high	94.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-56.4	-43.6	177	175.9	0	0	0	0	110.6	P884 L899 Y900 F967 T971 F992 V999 L1000	P884-V996 HydrophobicContact CB-CG1 3.75Å; P884-V996 HydrophobicContact CG-CG1 3.99Å; L899-V996 HydrophobicContact CD2-CG1 4.25Å; Y900-V996 HydrophobicContact CE1-CB 4.39Å; Y900-V996 HydrophobicContact CE1-CG1 4.09Å; F967-V996 HydrophobicContact CB-CG1 4.14Å; T971-V996 HydrophobicContact CG2-CG2 4.06Å; F992-V996 HydrophobicContact CD1-CG2 4.5Å; F992-V996 HydrophobicContact CE1-CG2 4.1Å; F992-V996 HydrophobicContact CZ-CG2 4.29Å; F992-V996 WeakPolarHBondContact O-CG2 3.42Å; F992-V996 PolarHBondContact O-N 3.01Å; V996-V999 PolarHBondContact O-N 2.79Å; V996-L1000 WeakPolarHBondContact O-CB 3.49Å; V996-L1000 PolarHBondContact O-N 3.16Å
997	F	95.8	Very high	94.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-67.3	-37.2	178.8	-166.6	-89.5	0	0	0	113.1	F881 Y900 Y904 Y908 F912 G993 T994 I995 L1000 V1001 Y1030	F881-F997 HydrophobicContact CD2-CE2 4.31Å; F881-F997 HydrophobicContact CE2-CD2 4.16Å; F881-F997 AromaticContact CE2-CE2 3.8Å; F881-F997 HydrophobicContact CE2-CE2 3.8Å; Y900-F997 HydrophobicContact CD1-CB 3.89Å; Y900-F997 AromaticContact CD1-CD2 3.72Å; Y900-F997 HydrophobicContact CD1-CD2 3.72Å; Y900-F997 HydrophobicContact CD1-CG 4.26Å; Y900-F997 HydrophobicContact CE1-CB 3.88Å; Y900-F997 AromaticContact CE1-CD2 3.93Å; Y900-F997 HydrophobicContact CE1-CD2 3.93Å; Y900-F997 HydrophobicContact CE1-CG 4.42Å; Y900-F997 HydrophobicContact CG-CD2 4.12Å; Y904-F997 HydrophobicContact CD2-CD1 4.22Å; Y904-F997 HydrophobicContact CD2-CE1 4.44Å; Y904-F997 HydrophobicContact CD2-CG 4.38Å; Y904-F997 HydrophobicContact CG-CD1 4.39Å; Y904-F997 HydrophobicContact CG-CE1 4.16Å; Y904-F997 HydrophobicContact CG-CZ 4.28Å; Y908-F997 HydrophobicContact CD2-CE2 4.07Å; Y908-F997 AromaticContact CD2-CZ 3.87Å; Y908-F997 HydrophobicContact CD2-CZ 3.87Å; Y908-F997 HydrophobicContact CG-CE2 4.26Å; Y908-F997 HydrophobicContact CG-CZ 4.23Å; F912-F997 HydrophobicContact CD2-CE1 4.21Å; F912-F997 HydrophobicContact CD2-CZ 4.19Å; F912-F997 HydrophobicContact CE2-CE1 4.19Å; F912-F997 HydrophobicContact CE2-CZ 4.3Å; G993-F997 VanDerWaalsContact O-CB 3.28Å; G993-F997 WeakPolarHBondContact O-CB 3.37Å; G993-F997 PolarHBondContact O-N 2.79Å; T994-F997 PolarHBondContact O-N 3.41Å; I995-F997 VanDerWaalsContact C-N 3.26Å; I995-F997 PolarHBondContact O-N 2.95Å; F997-L1000 HydrophobicContact CD2-CD2 4.3Å; F997-L1000 WeakPolarHBondContact O-CB 3.4Å; F997-L1000 PolarHBondContact O-N 3.49Å; F997-V1001 HydrophobicContact CD1-CG2 3.84Å; F997-V1001 HydrophobicContact CE1-CG2 3.46Å; F997-V1001 VanDerWaalsContact CE1-CG2 3.46Å; F997-V1001 HydrophobicContact CZ-CG2 3.94Å; F997-V1001 WeakPolarHBondContact O-CG2 3.41Å; F997-V1001 PolarHBondContact O-N 2.85Å; F997-Y1030 AromaticContact CD1-CE2 3.7Å; F997-Y1030 HydrophobicContact CD1-CE2 3.7Å; F997-Y1030 AromaticContact CD1-CZ 3.99Å; F997-Y1030 HydrophobicContact CE1-CD2 4.16Å; F997-Y1030 AromaticContact CE1-CE2 3.58Å; F997-Y1030 HydrophobicContact CE1-CE2 3.58Å
998	T	95.6	Very high	94.9	Very high	7 Å²	7	13.3 Å²	13.3	4%	0.043	8%	0.075	C	C	.	.	H	α-helix	trans	-62.8	-50.1	175.9	-57.8	0	0	0	0	110.2	T994 I995 L1000 V1001 F1002 Y1030 I1067	T994-T998 WeakPolarHBondContact O-CB 3.45Å; T994-T998 PolarHBondContact O-N 3.41Å; T994-T998 PolarHBondContact O-OG1 2.69Å; I995-T998 WeakPolarHBondContact O-CB 3.21Å; I995-T998 PolarHBondContact O-N 3.04Å; I995-T998 VanDerWaalsContact O-N 3.12Å; T998-L1000 VanDerWaalsContact C-N 3.27Å; T998-L1000 PolarHBondContact O-N 3.14Å; T998-V1001 PolarHBondContact O-N 3.48Å; T998-F1002 HydrophobicContact CG2-CD2 4.06Å; T998-F1002 HydrophobicContact CG2-CE2 4.09Å; T998-F1002 VanDerWaalsContact O-CD2 3.27Å; T998-F1002 WeakPolarHBondContact O-CD2 3.04Å; T998-F1002 PolarHBondContact O-N 3.43Å; T998-F1002 VanDerWaalsContact O-N 3.12Å; T998-Y1030 HydrophobicContact CG2-CE1 4.23Å; T998-Y1030 PolarHBondContact OG1-OH 3.3Å; T998-I1067 HydrophobicContact CG2-CD1 4.17Å; T998-I1067 HydrophobicContact CG2-CG2 4.38Å
999	V	96.7	Very high	95.1	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-59.2	-42.1	177.3	179	0	0	0	0	110.6	F967 I995 V996 T1003 I1067 L1070 I1071	F967-V999 HydrophobicContact CD1-CB 4.32Å; F967-V999 HydrophobicContact CD1-CG1 3.38Å; F967-V999 HydrophobicContact CE1-CG1 3.67Å; F967-V999 HydrophobicContact CG-CG1 4.32Å; I995-V999 WeakPolarHBondContact O-CG2 3.39Å; I995-V999 PolarHBondContact O-N 3.41Å; V996-V999 PolarHBondContact O-N 2.79Å; V999-T1003 VanDerWaalsContact O-CB 3.24Å; V999-T1003 WeakPolarHBondContact O-CB 3.46Å; V999-T1003 PolarHBondContact O-N 3.39Å; V999-T1003 PolarHBondContact O-OG1 3.42Å; V999-I1067 HydrophobicContact CG2-CB 4.25Å; V999-I1067 HydrophobicContact CG2-CG1 3.96Å; V999-I1067 HydrophobicContact CG2-CG2 4.14Å; V999-L1070 HydrophobicContact CG1-CB 3.75Å; V999-L1070 HydrophobicContact CG2-CB 4.28Å; V999-L1070 HydrophobicContact CG2-CD1 4.16Å; V999-I1071 HydrophobicContact CG1-CG1 4.17Å
1000	L	96.3	Very high	95.2	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-58.6	-56.7	176.6	173.4	76.3	0	0	0	112.2	C880 F881 Y908 F967 V996 F997 T998 F1002 T1003 V1004	C880-L1000 HydrophobicContact CB-CD1 3.68Å; F881-L1000 HydrophobicContact CB-CD1 4.44Å; F881-L1000 HydrophobicContact CB-CD2 3.86Å; F881-L1000 HydrophobicContact CD2-CD2 3.52Å; F881-L1000 HydrophobicContact CG-CD2 4.16Å; Y908-L1000 HydrophobicContact CE2-CD2 3.92Å; Y908-L1000 HydrophobicContact CE2-CG 4.28Å; F967-L1000 HydrophobicContact CD2-CB 4.37Å; F967-L1000 HydrophobicContact CD2-CD1 3.99Å; F967-L1000 HydrophobicContact CE2-CB 4.34Å; F967-L1000 HydrophobicContact CE2-CD1 3.57Å; F967-L1000 HydrophobicContact CZ-CD1 4.47Å; V996-L1000 WeakPolarHBondContact O-CB 3.49Å; V996-L1000 PolarHBondContact O-N 3.16Å; F997-L1000 HydrophobicContact CD2-CD2 4.3Å; F997-L1000 WeakPolarHBondContact O-CB 3.4Å; F997-L1000 PolarHBondContact O-N 3.49Å; T998-L1000 VanDerWaalsContact C-N 3.27Å; T998-L1000 PolarHBondContact O-N 3.14Å; L1000-F1002 VanDerWaalsContact C-N 3.31Å; L1000-F1002 PolarHBondContact O-N 3.43Å; L1000-T1003 PolarHBondContact O-N 3.02Å; L1000-V1004 HydrophobicContact CD1-CG1 4.03Å; L1000-V1004 WeakPolarHBondContact O-CG1 3.48Å; L1000-V1004 WeakPolarHBondContact O-CG2 3.48Å; L1000-V1004 PolarHBondContact O-N 3.08Å
1001	V	95.9	Very high	95.2	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.006	6%	0.056	C	C	.	.	H	α-helix	trans	-60.9	-41.5	-175.3	171.1	0	0	0	0	111.2	Y908 F997 T998 T1005 L1027 Y1030	Y908-V1001 HydrophobicContact CD2-CG2 4.11Å; Y908-V1001 HydrophobicContact CE2-CG2 4.19Å; F997-V1001 HydrophobicContact CD1-CG2 3.84Å; F997-V1001 HydrophobicContact CE1-CG2 3.46Å; F997-V1001 VanDerWaalsContact CE1-CG2 3.46Å; F997-V1001 HydrophobicContact CZ-CG2 3.94Å; F997-V1001 WeakPolarHBondContact O-CG2 3.41Å; F997-V1001 PolarHBondContact O-N 2.85Å; T998-V1001 PolarHBondContact O-N 3.48Å; V1001-T1005 VanDerWaalsContact O-CB 3.29Å; V1001-T1005 WeakPolarHBondContact O-CB 3.34Å; V1001-T1005 PolarHBondContact O-N 2.91Å; V1001-T1005 PolarHBondContact O-OG1 3.26Å; V1001-L1027 HydrophobicContact CG1-CD2 4.15Å; V1001-Y1030 HydrophobicContact CB-CD1 4.47Å; V1001-Y1030 HydrophobicContact CG1-CD1 4.08Å; V1001-Y1030 HydrophobicContact CG1-CG 4.01Å
1002	F	96.5	Very high	95.2	Very high	54 Å²	54	10.7 Å²	10.7	24%	0.237	6%	0.056	C	C	.	.	H	α-helix	trans	-66.6	-45.4	176.2	-84.3	-105.8	0	0	0	111.7	T998 L1000 T1005 L1006 L1027 Y1030 V1031 I1071	T998-F1002 HydrophobicContact CG2-CD2 4.06Å; T998-F1002 HydrophobicContact CG2-CE2 4.09Å; T998-F1002 VanDerWaalsContact O-CD2 3.27Å; T998-F1002 WeakPolarHBondContact O-CD2 3.04Å; T998-F1002 PolarHBondContact O-N 3.43Å; T998-F1002 VanDerWaalsContact O-N 3.12Å; L1000-F1002 VanDerWaalsContact C-N 3.31Å; L1000-F1002 PolarHBondContact O-N 3.43Å; F1002-T1005 PolarHBondContact O-N 3.37Å; F1002-L1006 VanDerWaalsContact O-CB 3.27Å; F1002-L1006 WeakPolarHBondContact O-CB 3.45Å; F1002-L1006 VanDerWaalsContact O-CG 3.25Å; F1002-L1006 WeakPolarHBondContact O-CG 3.43Å; F1002-L1006 PolarHBondContact O-N 3.2Å; F1002-L1027 HydrophobicContact CD1-CD2 4.31Å; F1002-L1027 HydrophobicContact CD2-CD2 4.26Å; F1002-L1027 HydrophobicContact CE1-CD2 4.5Å; F1002-L1027 HydrophobicContact CE2-CD2 4.45Å; F1002-L1027 HydrophobicContact CG-CD2 4.2Å; F1002-Y1030 HydrophobicContact CE2-CD1 4.03Å; F1002-Y1030 HydrophobicContact CE2-CE1 4.11Å; F1002-V1031 HydrophobicContact CE2-CG2 4.49Å; F1002-V1031 HydrophobicContact CZ-CG2 4.32Å; F1002-I1071 HydrophobicContact CB-CD1 3.54Å; F1002-I1071 HydrophobicContact CB-CG1 4.14Å; F1002-I1071 HydrophobicContact CD1-CD1 4.31Å; F1002-I1071 HydrophobicContact CG-CD1 4.13Å
1003	T	96.9	Very high	95.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.2	-50.5	-178.3	-57.1	0	0	0	0	111.6	F967 V999 L1000 T1005 L1006 K1007 L1075	F967-T1003 HydrophobicContact CE1-CG2 3.89Å; F967-T1003 WeakPolarHBondContact CE1-OG1 3.43Å; F967-T1003 HydrophobicContact CZ-CG2 3.64Å; V999-T1003 VanDerWaalsContact O-CB 3.24Å; V999-T1003 WeakPolarHBondContact O-CB 3.46Å; V999-T1003 PolarHBondContact O-N 3.39Å; V999-T1003 PolarHBondContact O-OG1 3.42Å; L1000-T1003 PolarHBondContact O-N 3.02Å; T1003-T1005 VanDerWaalsContact C-N 3.29Å; T1003-T1005 PolarHBondContact O-N 3.04Å; T1003-L1006 PolarHBondContact O-N 3.29Å; T1003-K1007 VanDerWaalsContact O-CB 3.23Å; T1003-K1007 WeakPolarHBondContact O-CB 3.05Å; T1003-K1007 PolarHBondContact O-N 3.34Å; T1003-L1075 HydrophobicContact CG2-CD2 3.75Å; T1003-L1075 HydrophobicContact CG2-CG 4.11Å
1004	V	96.3	Very high	95.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.8	-36.1	-178.2	-59	0	0	0	0	111.9	Y873 Y876 K877 C880 T913 L1000 L1008	Y873-V1004 WeakPolarHBondContact CE2-O 3.33Å; Y873-V1004 PolarHBondContact OH-O 2.87Å; Y873-V1004 VanDerWaalsContact OH-O 3.05Å; Y876-V1004 HydrophobicContact CE1-CB 4.47Å; Y876-V1004 HydrophobicContact CE1-CG1 4.21Å; K877-V1004 HydrophobicContact CB-CG1 4.32Å; C880-V1004 HydrophobicContact CB-CG1 4.48Å; T913-V1004 HydrophobicContact CG2-CG2 3.95Å; L1000-V1004 HydrophobicContact CD1-CG1 4.03Å; L1000-V1004 WeakPolarHBondContact O-CG1 3.48Å; L1000-V1004 WeakPolarHBondContact O-CG2 3.48Å; L1000-V1004 PolarHBondContact O-N 3.08Å; V1004-L1008 PolarHBondContact O-N 2.96Å
1005	T	96	Very high	95.1	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	11%	0.108	C	C	.	.	H	α-helix	trans	-73.4	-43	179.5	-52.9	0	0	0	0	111.7	V1001 F1002 T1003 K1007 L1008 A1009 I1023 L1027	V1001-T1005 VanDerWaalsContact O-CB 3.29Å; V1001-T1005 WeakPolarHBondContact O-CB 3.34Å; V1001-T1005 PolarHBondContact O-N 2.91Å; V1001-T1005 PolarHBondContact O-OG1 3.26Å; F1002-T1005 PolarHBondContact O-N 3.37Å; T1003-T1005 VanDerWaalsContact C-N 3.29Å; T1003-T1005 PolarHBondContact O-N 3.04Å; T1005-K1007 VanDerWaalsContact C-N 3.34Å; T1005-L1008 PolarHBondContact O-N 2.93Å; T1005-A1009 PolarHBondContact O-N 3.3Å; T1005-I1023 HydrophobicContact CG2-CG2 3.84Å; T1005-L1027 HydrophobicContact CG2-CD1 4.06Å; T1005-L1027 HydrophobicContact CG2-CD2 3.96Å; T1005-L1027 HydrophobicContact CG2-CG 3.83Å
1006	L	95.9	Very high	95	Very high	42 Å²	42	25.2 Å²	25.2	22%	0.22	12%	0.115	C	C	.	.	H	α-helix	trans	-69.6	-32.4	175.9	-70.6	173.4	0	0	0	112	F1002 T1003 L1008 A1009 L1010 W1024 I1071 L1075	F1002-L1006 VanDerWaalsContact O-CB 3.27Å; F1002-L1006 WeakPolarHBondContact O-CB 3.45Å; F1002-L1006 VanDerWaalsContact O-CG 3.25Å; F1002-L1006 WeakPolarHBondContact O-CG 3.43Å; F1002-L1006 PolarHBondContact O-N 3.2Å; T1003-L1006 PolarHBondContact O-N 3.29Å; L1006-L1008 VanDerWaalsContact C-N 3.31Å; L1006-L1008 PolarHBondContact O-N 3.38Å; L1006-A1009 WeakPolarHBondContact O-CB 3.35Å; L1006-A1009 PolarHBondContact O-N 3Å; L1006-L1010 WeakPolarHBondContact O-CG 3.38Å; L1006-L1010 PolarHBondContact O-N 3.29Å; L1006-W1024 HydrophobicContact CD2-CH2 4.06Å; L1006-W1024 HydrophobicContact CD2-CZ3 4.12Å; L1006-I1071 HydrophobicContact CD1-CG2 3.82Å; L1006-L1075 HydrophobicContact CB-CD1 3.77Å; L1006-L1075 HydrophobicContact CD1-CD1 4.43Å
1007	K	95.8	Very high	95	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-57.4	-45.7	170.3	175	64.5	177.2	86.5	0	111.1	Y876 T1003 T1005 A1009 L1010 D1011 L1075 E1078	Y876-K1007 HydrophobicContact CE1-CG 4.06Å; T1003-K1007 VanDerWaalsContact O-CB 3.23Å; T1003-K1007 WeakPolarHBondContact O-CB 3.05Å; T1003-K1007 PolarHBondContact O-N 3.34Å; T1005-K1007 VanDerWaalsContact C-N 3.34Å; K1007-A1009 VanDerWaalsContact C-N 3.34Å; K1007-L1010 PolarHBondContact O-N 3.36Å; K1007-D1011 IonicContact NZ-OD1 2.7Å; K1007-D1011 PolarHBondContact NZ-OD1 2.86Å; K1007-D1011 IonicContact NZ-OD2 2.7Å; K1007-D1011 PolarHBondContact NZ-OD2 3.33Å; K1007-D1011 PolarHBondContact O-N 3.13Å; K1007-D1011 VanDerWaalsContact O-N 3.17Å; K1007-L1075 HydrophobicContact CB-CD2 3.78Å; K1007-L1075 HydrophobicContact CD-CD2 4.32Å; K1007-E1078 HydrophobicContact CD-CB 4.09Å; K1007-E1078 HydrophobicContact CD-CG 3.74Å; K1007-E1078 WeakPolarHBondContact CE-OE2 3.49Å; K1007-E1078 IonicContact NZ-OE1 3.93Å; K1007-E1078 PolarHBondContact NZ-OE1 3.46Å; K1007-E1078 IonicContact NZ-OE2 3Å
1008	L	95.3	Very high	94.9	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-65.1	-38.7	176	-174.4	62.2	0	0	0	111.9	Y873 P916 I917 Y920 V1004 T1005 L1006 L1010 D1011 T1012	Y873-L1008 HydrophobicContact CD2-CD1 4.28Å; Y873-L1008 HydrophobicContact CE2-CB 3.82Å; Y873-L1008 HydrophobicContact CE2-CD1 4.32Å; Y873-L1008 HydrophobicContact CE2-CG 4.46Å; P916-L1008 HydrophobicContact CB-CD2 3.8Å; I917-L1008 HydrophobicContact CB-CD2 4.26Å; I917-L1008 HydrophobicContact CD1-CD1 3.83Å; I917-L1008 HydrophobicContact CD1-CD2 4.22Å; Y920-L1008 HydrophobicContact CD2-CD1 3.87Å; Y920-L1008 HydrophobicContact CE2-CD1 4.32Å; Y920-L1008 HydrophobicContact CG-CD1 4Å; V1004-L1008 PolarHBondContact O-N 2.96Å; T1005-L1008 PolarHBondContact O-N 2.93Å; L1006-L1008 VanDerWaalsContact C-N 3.31Å; L1006-L1008 PolarHBondContact O-N 3.38Å; L1008-L1010 VanDerWaalsContact C-N 3.33Å; L1008-L1010 PolarHBondContact O-N 3.49Å; L1008-D1011 PolarHBondContact O-N 3.18Å; L1008-T1012 PolarHBondContact O-N 2.94Å; L1008-T1012 PolarHBondContact O-OG1 3.11Å
1009	A	95.3	Very high	94.8	Very high	11 Å²	11	37.3 Å²	37.3	9%	0.091	16%	0.164	C	C	.	.	H	α-helix	trans	-60.1	-41.4	174.2	0	0	0	0	0	112.1	T1005 L1006 K1007 D1011 T1012 W1015 I1023	T1005-A1009 PolarHBondContact O-N 3.3Å; L1006-A1009 WeakPolarHBondContact O-CB 3.35Å; L1006-A1009 PolarHBondContact O-N 3Å; K1007-A1009 VanDerWaalsContact C-N 3.34Å; A1009-D1011 VanDerWaalsContact C-N 3.31Å; A1009-D1011 PolarHBondContact O-N 3.39Å; A1009-T1012 PolarHBondContact O-N 3.33Å; A1009-W1015 HydrophobicContact CB-CH2 3.66Å; A1009-W1015 HydrophobicContact CB-CZ2 3.78Å; A1009-W1015 VanDerWaalsContact O-CZ2 3.26Å; A1009-W1015 WeakPolarHBondContact O-CZ2 3.42Å; A1009-I1023 HydrophobicContact CB-CG2 4.49Å
1010	L	93.8	Very high	94.7	Very high	64 Å²	64	41 Å²	41	34%	0.335	18%	0.181	S	C	.	.	H	α-helix	trans	-66.7	-31.3	176.7	-70.5	175.9	0	0	0	113.3	L1006 K1007 L1008 L1075 I1079 I1082	L1006-L1010 WeakPolarHBondContact O-CG 3.38Å; L1006-L1010 PolarHBondContact O-N 3.29Å; K1007-L1010 PolarHBondContact O-N 3.36Å; L1008-L1010 VanDerWaalsContact C-N 3.33Å; L1008-L1010 PolarHBondContact O-N 3.49Å; L1010-L1075 HydrophobicContact CD1-CB 4.34Å; L1010-L1075 HydrophobicContact CD1-CD1 4.25Å; L1010-L1075 HydrophobicContact CD1-CD2 4.41Å; L1010-I1079 HydrophobicContact CD1-CG1 4.02Å; L1010-I1082 HydrophobicContact CB-CD1 4.16Å
1011	D	91.2	Very high	94.6	Very high	16 Å²	16	48.1 Å²	48.1	9%	0.086	21%	0.212	C	C	.	.	H	α-helix	trans	-77.9	-30.7	177.9	-74.1	-7.3	0	0	0	112.7	H869 W956 K1007 L1008 A1009 R1013	H869-D1011 IonicContact CE1-OD2 2.75Å; H869-D1011 PolarHBondContact CE1-OD2 2.89Å; H869-D1011 IonicContact NE2-OD2 2.89Å; H869-D1011 PolarHBondContact NE2-OD2 3.5Å; W956-D1011 WeakPolarHBondContact CH2-OD2 3.49Å; K1007-D1011 IonicContact NZ-OD1 2.7Å; K1007-D1011 PolarHBondContact NZ-OD1 2.86Å; K1007-D1011 IonicContact NZ-OD2 2.7Å; K1007-D1011 PolarHBondContact NZ-OD2 3.33Å; K1007-D1011 PolarHBondContact O-N 3.13Å; K1007-D1011 VanDerWaalsContact O-N 3.17Å; L1008-D1011 PolarHBondContact O-N 3.18Å; A1009-D1011 VanDerWaalsContact C-N 3.31Å; A1009-D1011 PolarHBondContact O-N 3.39Å; D1011-R1013 PolarHBondContact O-N 2.99Å
1012	T	93.2	Very high	94.6	Very high	6 Å²	6	49.2 Å²	49.2	4%	0.037	22%	0.219	C	C	.	.			trans	-64.4	118.3	-177.8	-57.3	0	0	0	0	110.9	Y920 L1008 A1009 F1014 W1015	Y920-T1012 HydrophobicContact CD2-CG2 4.48Å; Y920-T1012 WeakPolarHBondContact CD2-OG1 3.07Å; L1008-T1012 PolarHBondContact O-N 2.94Å; L1008-T1012 PolarHBondContact O-OG1 3.11Å; A1009-T1012 PolarHBondContact O-N 3.33Å; T1012-F1014 WeakPolarHBondContact CG2-O 3.34Å; T1012-W1015 HydrophobicContact CG2-CD2 4.38Å; T1012-W1015 HydrophobicContact CG2-CG 4.48Å; T1012-W1015 PolarHBondContact O-NE1 3.33Å; T1012-W1015 VanDerWaalsContact O-NE1 3.15Å
1013	R	91.3	Very high	94.5	Very high	126 Å²	126	46.8 Å²	46.8	48%	0.475	21%	0.208	S	C	.	.			trans	-92.3	-33.6	176	-59.4	-60.2	177	-160	-10.3	112.8	D1011	D1011-R1013 PolarHBondContact O-N 2.99Å
1014	F	93	Very high	94.5	Very high	83 Å²	83	53 Å²	53	36%	0.364	23%	0.232	S	C	.	.	S	Bend	trans	-105.1	97.6	-178.4	-166.4	-113.9	0	0	0	111.3	Q925 T1012 T1016 N1019	Q925-F1014 HydrophobicContact CB-CB 4.29Å; Q925-F1014 HydrophobicContact CB-CD1 4.47Å; Q925-F1014 HydrophobicContact CB-CG 4.24Å; Q925-F1014 HydrophobicContact CG-CD1 4.47Å; T1012-F1014 WeakPolarHBondContact CG2-O 3.34Å; F1014-T1016 HydrophobicContact CD1-CG2 3.44Å; F1014-T1016 VanDerWaalsContact CD1-CG2 3.44Å; F1014-T1016 HydrophobicContact CE1-CG2 3.22Å; F1014-T1016 HydrophobicContact CZ-CG2 4.16Å; F1014-T1016 PolarHBondContact O-N 2.91Å; F1014-N1019 PolarHBondContact O-ND2 3Å; F1014-N1019 VanDerWaalsContact O-ND2 3.14Å
1015	W	94.9	Very high	94.4	Very high	93 Å²	93	54.4 Å²	54.4	35%	0.352	25%	0.247	S	C	.	.			trans	-88.2	97.8	-179.4	-78	90.5	0	0	0	111.1	A1009 T1012 H1020 I1023	A1009-W1015 HydrophobicContact CB-CH2 3.66Å; A1009-W1015 HydrophobicContact CB-CZ2 3.78Å; A1009-W1015 VanDerWaalsContact O-CZ2 3.26Å; A1009-W1015 WeakPolarHBondContact O-CZ2 3.42Å; T1012-W1015 HydrophobicContact CG2-CD2 4.38Å; T1012-W1015 HydrophobicContact CG2-CG 4.48Å; T1012-W1015 PolarHBondContact O-NE1 3.33Å; T1012-W1015 VanDerWaalsContact O-NE1 3.15Å; W1015-H1020 AromaticContact CD2-CE1 3.72Å; W1015-H1020 AromaticContact CD2-NE2 3.92Å; W1015-H1020 AromaticContact CE3-CD2 3.82Å; W1015-H1020 AromaticContact CE3-CE1 3.07Å; W1015-H1020 AromaticContact CE3-CG 3.69Å; W1015-H1020 AromaticContact CE3-ND1 3.22Å; W1015-H1020 AromaticContact CE3-NE2 3.45Å; W1015-H1020 AromaticContact CZ3-CE1 3.53Å; W1015-H1020 AromaticContact CZ3-ND1 3.32Å; W1015-H1020 VanDerWaalsContact CZ3-ND1 3.32Å; W1015-H1020 WeakPolarHBondContact CZ3-ND1 3.46Å; W1015-I1023 HydrophobicContact CH2-CD1 3.92Å; W1015-I1023 HydrophobicContact CZ3-CD1 3.84Å
1016	T	94	Very high	94.4	Very high	25 Å²	25	54.7 Å²	54.7	15%	0.153	25%	0.249	C	C	.	.			trans	-89.6	162.7	171.1	66.2	0	0	0	0	110.9	F1014 I1018 N1019 H1020	F1014-T1016 HydrophobicContact CD1-CG2 3.44Å; F1014-T1016 VanDerWaalsContact CD1-CG2 3.44Å; F1014-T1016 HydrophobicContact CE1-CG2 3.22Å; F1014-T1016 HydrophobicContact CZ-CG2 4.16Å; F1014-T1016 PolarHBondContact O-N 2.91Å; T1016-I1018 PolarHBondContact O-N 3.31Å; T1016-N1019 PolarHBondContact O-N 3.05Å; T1016-N1019 PolarHBondContact OG1-N 2.93Å; T1016-N1019 VanDerWaalsContact OG1-N 3.11Å; T1016-N1019 PolarHBondContact OG1-ND2 3.22Å; T1016-H1020 PolarHBondContact O-CD2 3.47Å; T1016-H1020 PolarHBondContact O-N 3.24Å
1017	W	95.5	Very high	94.3	Very high	198 Å²	198	53.2 Å²	53.2	75%	0.75	24%	0.241	S	C	*	.	H	α-helix	trans	-59	-34.9	174	71.5	-94	0	0	0	112.2	F1021	W1017-F1021 WeakPolarHBondContact O-CB 3.4Å; W1017-F1021 PolarHBondContact O-N 3.47Å
1018	I	94.2	Very high	94.3	Very high	59 Å²	59	56.2 Å²	56.2	30%	0.303	27%	0.265	S	S	.	.	H	α-helix	trans	-66.5	-47.7	176.1	-57.6	177.5	0	0	0	110.2	L923 T1016 H1020 F1021 V1022	L923-I1018 HydrophobicContact CD1-CB 3.78Å; L923-I1018 HydrophobicContact CD1-CD1 3.82Å; L923-I1018 HydrophobicContact CD1-CG1 4.32Å; L923-I1018 HydrophobicContact CD1-CG2 3.83Å; T1016-I1018 PolarHBondContact O-N 3.31Å; I1018-H1020 VanDerWaalsContact C-N 3.32Å; I1018-H1020 PolarHBondContact O-N 3.41Å; I1018-F1021 PolarHBondContact O-N 2.9Å; I1018-V1022 HydrophobicContact CG2-CG2 4.1Å; I1018-V1022 WeakPolarHBondContact O-CB 3.3Å; I1018-V1022 VanDerWaalsContact O-CG2 3.3Å; I1018-V1022 WeakPolarHBondContact O-CG2 3.43Å; I1018-V1022 PolarHBondContact O-N 2.96Å
1019	N	92.6	Very high	94.3	Very high	3 Å²	3	60 Å²	60	2%	0.016	28%	0.282	C	S	.	.	H	α-helix	trans	-60.5	-43	178.9	-74.5	-19.2	0	0	0	111.3	A919 F1014 T1016 I1023	A919-N1019 WeakPolarHBondContact CB-OD1 3.3Å; A919-N1019 PolarHBondContact O-OD1 3.28Å; F1014-N1019 PolarHBondContact O-ND2 3Å; F1014-N1019 VanDerWaalsContact O-ND2 3.14Å; T1016-N1019 PolarHBondContact O-N 3.05Å; T1016-N1019 PolarHBondContact OG1-N 2.93Å; T1016-N1019 VanDerWaalsContact OG1-N 3.11Å; T1016-N1019 PolarHBondContact OG1-ND2 3.22Å; N1019-I1023 WeakPolarHBondContact O-CB 3.42Å; N1019-I1023 VanDerWaalsContact O-CG1 3.26Å; N1019-I1023 WeakPolarHBondContact O-CG1 3.34Å; N1019-I1023 PolarHBondContact O-N 3.11Å
1020	H	94.1	Very high	94.3	Very high	79 Å²	79	59.5 Å²	59.5	37%	0.366	28%	0.278	S	S	.	.	H	α-helix	trans	-58.3	-51	172.7	-83.4	-62.5	0	0	0	112.1	W1015 T1016 I1018 V1022 W1024	W1015-H1020 AromaticContact CD2-CE1 3.72Å; W1015-H1020 AromaticContact CD2-NE2 3.92Å; W1015-H1020 AromaticContact CE3-CD2 3.82Å; W1015-H1020 AromaticContact CE3-CE1 3.07Å; W1015-H1020 AromaticContact CE3-CG 3.69Å; W1015-H1020 AromaticContact CE3-ND1 3.22Å; W1015-H1020 AromaticContact CE3-NE2 3.45Å; W1015-H1020 AromaticContact CZ3-CE1 3.53Å; W1015-H1020 AromaticContact CZ3-ND1 3.32Å; W1015-H1020 VanDerWaalsContact CZ3-ND1 3.32Å; W1015-H1020 WeakPolarHBondContact CZ3-ND1 3.46Å; T1016-H1020 PolarHBondContact O-CD2 3.47Å; T1016-H1020 PolarHBondContact O-N 3.24Å; I1018-H1020 VanDerWaalsContact C-N 3.32Å; I1018-H1020 PolarHBondContact O-N 3.41Å; H1020-V1022 VanDerWaalsContact C-N 3.35Å; H1020-V1022 PolarHBondContact O-N 3.33Å; H1020-W1024 AromaticContact ND1-NE1 3.57Å; H1020-W1024 WeakPolarHBondContact O-CB 3.38Å; H1020-W1024 PolarHBondContact O-N 3.47Å; H1020-W1024 VanDerWaalsContact O-N 3.13Å
1021	F	95.7	Very high	94.3	Very high	148 Å²	148	58.7 Å²	58.7	65%	0.649	28%	0.275	S	S	*	.	H	α-helix	trans	-60	-44.5	-178.5	177.3	-101.6	0	0	0	112	W1017 I1018 G1025	W1017-F1021 WeakPolarHBondContact O-CB 3.4Å; W1017-F1021 PolarHBondContact O-N 3.47Å; I1018-F1021 PolarHBondContact O-N 2.9Å; F1021-G1025 WeakPolarHBondContact O-CA 3.38Å; F1021-G1025 PolarHBondContact O-N 3.25Å
1022	V	95.3	Very high	94.4	Very high	25 Å²	25	64.1 Å²	64.1	15%	0.152	30%	0.298	C	S	.	.	H	α-helix	trans	-72.9	-43.8	-176.6	177.3	0	0	0	0	111.8	L915 P916 A919 I1018 H1020 S1026	L915-V1022 VanDerWaalsContact C-CG1 3.4Å; L915-V1022 HydrophobicContact CB-CG1 3.59Å; P916-V1022 HydrophobicContact CB-CG1 4.48Å; P916-V1022 HydrophobicContact CG-CG1 4.19Å; A919-V1022 HydrophobicContact CB-CB 4.25Å; A919-V1022 HydrophobicContact CB-CG1 4.2Å; A919-V1022 HydrophobicContact CB-CG2 4.32Å; I1018-V1022 HydrophobicContact CG2-CG2 4.1Å; I1018-V1022 WeakPolarHBondContact O-CB 3.3Å; I1018-V1022 VanDerWaalsContact O-CG2 3.3Å; I1018-V1022 WeakPolarHBondContact O-CG2 3.43Å; I1018-V1022 PolarHBondContact O-N 2.96Å; H1020-V1022 VanDerWaalsContact C-N 3.35Å; H1020-V1022 PolarHBondContact O-N 3.33Å; V1022-S1026 WeakPolarHBondContact O-CB 3.48Å; V1022-S1026 PolarHBondContact O-N 3.13Å; V1022-S1026 PolarHBondContact O-OG 2.66Å
1023	I	94.8	Very high	94.4	Very high	3 Å²	3	65 Å²	65	2%	0.015	30%	0.302	C	S	.	.	H	α-helix	trans	-62.9	-53.6	180	-70.9	170.9	0	0	0	110.7	P916 T1005 A1009 W1015 N1019 S1026 L1027	P916-I1023 HydrophobicContact CB-CG1 4.1Å; T1005-I1023 HydrophobicContact CG2-CG2 3.84Å; A1009-I1023 HydrophobicContact CB-CG2 4.49Å; W1015-I1023 HydrophobicContact CH2-CD1 3.92Å; W1015-I1023 HydrophobicContact CZ3-CD1 3.84Å; N1019-I1023 WeakPolarHBondContact O-CB 3.42Å; N1019-I1023 VanDerWaalsContact O-CG1 3.26Å; N1019-I1023 WeakPolarHBondContact O-CG1 3.34Å; N1019-I1023 PolarHBondContact O-N 3.11Å; I1023-S1026 PolarHBondContact O-N 3.24Å; I1023-L1027 PolarHBondContact O-N 3.3Å
1024	W	95.9	Very high	94.4	Very high	130 Å²	130	59 Å²	59	49%	0.492	28%	0.279	S	S	.	.	H	α-helix	trans	-71.5	-35.5	-179.2	-59.6	126.6	0	0	0	111.8	L1006 H1020 S1026 L1027 A1028	L1006-W1024 HydrophobicContact CD2-CH2 4.06Å; L1006-W1024 HydrophobicContact CD2-CZ3 4.12Å; H1020-W1024 AromaticContact ND1-NE1 3.57Å; H1020-W1024 WeakPolarHBondContact O-CB 3.38Å; H1020-W1024 PolarHBondContact O-N 3.47Å; H1020-W1024 VanDerWaalsContact O-N 3.13Å; W1024-S1026 PolarHBondContact O-N 3.31Å; W1024-L1027 HydrophobicContact CE3-CD1 3.89Å; W1024-L1027 HydrophobicContact CZ3-CD1 3.93Å; W1024-L1027 PolarHBondContact O-N 3.3Å; W1024-A1028 WeakPolarHBondContact O-CB 3.31Å; W1024-A1028 PolarHBondContact O-N 3.14Å
1025	G	95.5	Very high	94.4	Very high	30 Å²	30	59.8 Å²	59.8	31%	0.309	28%	0.282	S	S	.	.	H	α-helix	trans	-61.2	-40.3	174.2	0	0	0	0	0	112.6	F1021 A1028 F1029	F1021-G1025 WeakPolarHBondContact O-CA 3.38Å; F1021-G1025 PolarHBondContact O-N 3.25Å; G1025-A1028 PolarHBondContact O-N 2.9Å; G1025-F1029 WeakPolarHBondContact O-CB 3.49Å; G1025-F1029 PolarHBondContact O-N 2.83Å
1026	S	94.8	Very high	94.1	Very high	7 Å²	7	59.3 Å²	59.3	5%	0.049	28%	0.283	C	S	.	.	H	α-helix	trans	-64.9	-40.3	175.3	-78.9	0	0	0	0	112.9	F912 P916 V1022 I1023 W1024 Y1030	F912-S1026 WeakPolarHBondContact O-CB 3.43Å; F912-S1026 PolarHBondContact O-OG 3.46Å; P916-S1026 WeakPolarHBondContact CD-OG 3.41Å; P916-S1026 WeakPolarHBondContact CG-OG 3.4Å; V1022-S1026 WeakPolarHBondContact O-CB 3.48Å; V1022-S1026 PolarHBondContact O-N 3.13Å; V1022-S1026 PolarHBondContact O-OG 2.66Å; I1023-S1026 PolarHBondContact O-N 3.24Å; W1024-S1026 PolarHBondContact O-N 3.31Å; S1026-Y1030 PolarHBondContact O-N 3.13Å
1027	L	94.8	Very high	93.9	Very high	11 Å²	11	60.6 Å²	60.6	6%	0.058	29%	0.285	C	S	.	.	H	α-helix	trans	-67.3	-45.3	175.2	-69.3	177.1	0	0	0	111.7	V1001 F1002 T1005 I1023 W1024 F1029 Y1030 V1031	V1001-L1027 HydrophobicContact CG1-CD2 4.15Å; F1002-L1027 HydrophobicContact CD1-CD2 4.31Å; F1002-L1027 HydrophobicContact CD2-CD2 4.26Å; F1002-L1027 HydrophobicContact CE1-CD2 4.5Å; F1002-L1027 HydrophobicContact CE2-CD2 4.45Å; F1002-L1027 HydrophobicContact CG-CD2 4.2Å; T1005-L1027 HydrophobicContact CG2-CD1 4.06Å; T1005-L1027 HydrophobicContact CG2-CD2 3.96Å; T1005-L1027 HydrophobicContact CG2-CG 3.83Å; I1023-L1027 PolarHBondContact O-N 3.3Å; W1024-L1027 HydrophobicContact CE3-CD1 3.89Å; W1024-L1027 HydrophobicContact CZ3-CD1 3.93Å; W1024-L1027 PolarHBondContact O-N 3.3Å; L1027-F1029 VanDerWaalsContact C-N 3.31Å; L1027-F1029 PolarHBondContact O-N 3.4Å; L1027-Y1030 PolarHBondContact O-N 3.17Å; L1027-V1031 PolarHBondContact O-N 3.31Å; L1027-V1031 VanDerWaalsContact O-N 3.15Å
1028	A	95.6	Very high	93.4	Very high	62 Å²	62	51.5 Å²	51.5	51%	0.512	25%	0.253	S	S	.	.	H	α-helix	trans	-61.8	-41.4	175.8	0	0	0	0	0	111.5	W1024 G1025 Y1030 V1031 F1032	W1024-A1028 WeakPolarHBondContact O-CB 3.31Å; W1024-A1028 PolarHBondContact O-N 3.14Å; G1025-A1028 PolarHBondContact O-N 2.9Å; A1028-Y1030 PolarHBondContact O-N 3.34Å; A1028-V1031 PolarHBondContact O-N 2.94Å; A1028-F1032 WeakPolarHBondContact O-CB 3.39Å; A1028-F1032 PolarHBondContact O-N 2.92Å
1029	F	94.9	Very high	92.9	Very high	82 Å²	82	50.2 Å²	50.2	36%	0.36	25%	0.254	S	S	.	.	H	α-helix	trans	-63.8	-39.3	176.5	179	-108.3	0	0	0	112.1	M907 C911 F912 G1025 L1027 F1032 F1033	M907-F1029 HydrophobicContact CE-CE1 4.25Å; M907-F1029 HydrophobicContact CE-CZ 4.33Å; C911-F1029 HydrophobicContact CB-CE1 4.13Å; F912-F1029 AromaticContact CD1-CD1 3.76Å; F912-F1029 HydrophobicContact CD1-CD1 3.76Å; F912-F1029 AromaticContact CD1-CE1 3.94Å; F912-F1029 HydrophobicContact CD1-CE1 3.94Å; F912-F1029 AromaticContact CE1-CD1 3.73Å; F912-F1029 HydrophobicContact CE1-CD1 3.73Å; F912-F1029 AromaticContact CE1-CE1 3.62Å; F912-F1029 HydrophobicContact CE1-CE1 3.62Å; G1025-F1029 WeakPolarHBondContact O-CB 3.49Å; G1025-F1029 PolarHBondContact O-N 2.83Å; L1027-F1029 VanDerWaalsContact C-N 3.31Å; L1027-F1029 PolarHBondContact O-N 3.4Å; F1029-F1032 PolarHBondContact O-N 3.48Å; F1029-F1033 WeakPolarHBondContact O-CB 3.28Å; F1029-F1033 PolarHBondContact O-N 2.98Å
1030	Y	95.1	Very high	92.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.4	-47.8	174.1	164.1	-111	0	0	0	112.1	F912 F997 T998 V1001 F1002 S1026 L1027 A1028 F1033 S1034	F912-Y1030 HydrophobicContact CD2-CD2 4.15Å; F912-Y1030 HydrophobicContact CE1-CD2 4.41Å; F912-Y1030 AromaticContact CE2-CD2 3.91Å; F912-Y1030 HydrophobicContact CE2-CD2 3.91Å; F912-Y1030 HydrophobicContact CZ-CD2 4.07Å; F997-Y1030 AromaticContact CD1-CE2 3.7Å; F997-Y1030 HydrophobicContact CD1-CE2 3.7Å; F997-Y1030 AromaticContact CD1-CZ 3.99Å; F997-Y1030 HydrophobicContact CE1-CD2 4.16Å; F997-Y1030 AromaticContact CE1-CE2 3.58Å; F997-Y1030 HydrophobicContact CE1-CE2 3.58Å; T998-Y1030 HydrophobicContact CG2-CE1 4.23Å; T998-Y1030 PolarHBondContact OG1-OH 3.3Å; V1001-Y1030 HydrophobicContact CB-CD1 4.47Å; V1001-Y1030 HydrophobicContact CG1-CD1 4.08Å; V1001-Y1030 HydrophobicContact CG1-CG 4.01Å; F1002-Y1030 HydrophobicContact CE2-CD1 4.03Å; F1002-Y1030 HydrophobicContact CE2-CE1 4.11Å; S1026-Y1030 PolarHBondContact O-N 3.13Å; L1027-Y1030 PolarHBondContact O-N 3.17Å; A1028-Y1030 PolarHBondContact O-N 3.34Å; Y1030-F1033 PolarHBondContact O-N 3.24Å; Y1030-S1034 WeakPolarHBondContact CE2-OG 3.41Å; Y1030-S1034 WeakPolarHBondContact O-CB 3.19Å; Y1030-S1034 PolarHBondContact O-N 2.95Å; Y1030-S1034 PolarHBondContact O-OG 3.22Å
1031	V	93.8	Very high	91.8	Very high	47 Å²	47	53.3 Å²	53.3	29%	0.285	27%	0.271	S	S	.	.	H	α-helix	trans	-62.1	-48.8	178.2	175.6	0	0	0	0	110	F1002 L1027 A1028 F1033 S1034 F1035 F1054	F1002-V1031 HydrophobicContact CE2-CG2 4.49Å; F1002-V1031 HydrophobicContact CZ-CG2 4.32Å; L1027-V1031 PolarHBondContact O-N 3.31Å; L1027-V1031 VanDerWaalsContact O-N 3.15Å; A1028-V1031 PolarHBondContact O-N 2.94Å; V1031-F1033 PolarHBondContact O-N 3.1Å; V1031-S1034 PolarHBondContact O-N 3.13Å; V1031-F1035 HydrophobicContact CG1-CD2 3.84Å; V1031-F1035 HydrophobicContact CG1-CE2 3.78Å; V1031-F1035 VanDerWaalsContact O-CD2 3.29Å; V1031-F1035 WeakPolarHBondContact O-CD2 3.46Å; V1031-F1035 PolarHBondContact O-N 2.94Å; V1031-F1035 VanDerWaalsContact O-N 3.08Å; V1031-F1054 HydrophobicContact CG1-CE1 4.47Å
1032	F	93.9	Very high	90.7	Very high	129 Å²	129	51.5 Å²	51.5	57%	0.566	26%	0.261	S	S	*	.	H	α-helix	trans	-58.1	-49.5	177.5	173.5	-99.5	0	0	0	112.4	A1028 F1029 S1034 F1035 F1036	A1028-F1032 WeakPolarHBondContact O-CB 3.39Å; A1028-F1032 PolarHBondContact O-N 2.92Å; F1029-F1032 PolarHBondContact O-N 3.48Å; F1032-S1034 VanDerWaalsContact C-N 3.31Å; F1032-S1034 PolarHBondContact O-N 3.17Å; F1032-F1035 PolarHBondContact O-N 3.32Å; F1032-F1036 WeakPolarHBondContact O-CB 3.22Å; F1032-F1036 PolarHBondContact O-N 3.17Å
1033	F	93	Very high	89.9	Confident	25 Å²	25	53.8 Å²	53.8	11%	0.11	28%	0.276	C	S	.	.	H	α-helix	trans	-60	-41.9	179.1	177.3	-92.2	0	0	0	111.6	Y904 M907 F912 F1029 Y1030 V1031 F1036 W1037	Y904-F1033 HydrophobicContact CD1-CE1 4.09Å; Y904-F1033 HydrophobicContact CE1-CD1 4.1Å; Y904-F1033 AromaticContact CE1-CE1 3.9Å; Y904-F1033 HydrophobicContact CE1-CE1 3.9Å; M907-F1033 HydrophobicContact CE-CD2 4.43Å; M907-F1033 HydrophobicContact CE-CE2 4.15Å; M907-F1033 HydrophobicContact CG-CE1 4.35Å; M907-F1033 HydrophobicContact CG-CE2 4.45Å; M907-F1033 HydrophobicContact CG-CZ 3.96Å; F912-F1033 HydrophobicContact CE1-CB 4.19Å; F912-F1033 HydrophobicContact CE1-CD1 4.27Å; F912-F1033 HydrophobicContact CE1-CG 4.25Å; F912-F1033 HydrophobicContact CZ-CB 4.29Å; F912-F1033 AromaticContact CZ-CD1 3.56Å; F912-F1033 HydrophobicContact CZ-CD1 3.56Å; F912-F1033 HydrophobicContact CZ-CE1 4.09Å; F912-F1033 AromaticContact CZ-CG 4Å; F912-F1033 HydrophobicContact CZ-CG 4Å; F1029-F1033 WeakPolarHBondContact O-CB 3.28Å; F1029-F1033 PolarHBondContact O-N 2.98Å; Y1030-F1033 PolarHBondContact O-N 3.24Å; V1031-F1033 PolarHBondContact O-N 3.1Å; F1033-F1036 PolarHBondContact O-N 3.43Å; F1033-W1037 HydrophobicContact CD1-CB 4.48Å; F1033-W1037 HydrophobicContact CE1-CB 4.17Å; F1033-W1037 HydrophobicContact CE1-CG 4.34Å; F1033-W1037 HydrophobicContact CZ-CB 4.34Å; F1033-W1037 HydrophobicContact CZ-CD2 4.3Å; F1033-W1037 HydrophobicContact CZ-CE3 4.11Å; F1033-W1037 HydrophobicContact CZ-CG 4.39Å; F1033-W1037 WeakPolarHBondContact O-CB 3.3Å; F1033-W1037 PolarHBondContact O-N 2.87Å
1034	S	91.3	Very high	89.1	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-66.4	-38.5	-179.5	-57.5	0	0	0	0	112.1	Y904 Y1030 V1031 F1032 G1038	Y904-S1034 WeakPolarHBondContact OH-CB 3.34Å; Y904-S1034 PolarHBondContact OH-OG 3.46Å; Y1030-S1034 WeakPolarHBondContact CE2-OG 3.41Å; Y1030-S1034 WeakPolarHBondContact O-CB 3.19Å; Y1030-S1034 PolarHBondContact O-N 2.95Å; Y1030-S1034 PolarHBondContact O-OG 3.22Å; V1031-S1034 PolarHBondContact O-N 3.13Å; F1032-S1034 VanDerWaalsContact C-N 3.31Å; F1032-S1034 PolarHBondContact O-N 3.17Å; S1034-G1038 PolarHBondContact O-N 2.94Å
1035	F	91.6	Very high	88.3	Confident	99 Å²	99	59 Å²	59	43%	0.434	31%	0.305	S	S	.	.	H	α-helix	trans	-66	-44.7	171.2	-86.2	-71.8	0	0	0	112.4	V1031 F1032 G1039 F1054 A1055 L1058	V1031-F1035 HydrophobicContact CG1-CD2 3.84Å; V1031-F1035 HydrophobicContact CG1-CE2 3.78Å; V1031-F1035 VanDerWaalsContact O-CD2 3.29Å; V1031-F1035 WeakPolarHBondContact O-CD2 3.46Å; V1031-F1035 PolarHBondContact O-N 2.94Å; V1031-F1035 VanDerWaalsContact O-N 3.08Å; F1032-F1035 PolarHBondContact O-N 3.32Å; F1035-G1039 PolarHBondContact O-N 3.02Å; F1035-F1054 HydrophobicContact CD1-CD1 4.36Å; F1035-F1054 HydrophobicContact CD2-CD1 4.03Å; F1035-F1054 AromaticContact CD2-CE1 3.74Å; F1035-F1054 HydrophobicContact CD2-CE1 3.74Å; F1035-F1054 HydrophobicContact CE1-CD1 4.43Å; F1035-F1054 HydrophobicContact CE2-CD1 4.1Å; F1035-F1054 AromaticContact CE2-CE1 3.67Å; F1035-F1054 HydrophobicContact CE2-CE1 3.67Å; F1035-F1054 HydrophobicContact CG-CD1 4.16Å; F1035-F1054 HydrophobicContact CG-CE1 4.32Å; F1035-F1054 HydrophobicContact CZ-CD1 4.3Å; F1035-F1054 HydrophobicContact CZ-CE1 4.22Å; F1035-A1055 HydrophobicContact CE1-CB 4.11Å; F1035-L1058 HydrophobicContact CE2-CD1 3.78Å; F1035-L1058 HydrophobicContact CZ-CD1 3.6Å
1036	F	90.7	Very high	87.4	Confident	83 Å²	83	67.9 Å²	67.9	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-65.3	-47.2	-178.8	-178	-114.9	0	0	0	112.2	F1032 F1033 G1039 I1040 I1041	F1032-F1036 WeakPolarHBondContact O-CB 3.22Å; F1032-F1036 PolarHBondContact O-N 3.17Å; F1033-F1036 PolarHBondContact O-N 3.43Å; F1036-G1039 PolarHBondContact O-N 3.4Å; F1036-I1040 HydrophobicContact CD2-CB 4.42Å; F1036-I1040 HydrophobicContact CD2-CD1 3.92Å; F1036-I1040 HydrophobicContact CE2-CB 4.23Å; F1036-I1040 HydrophobicContact CE2-CD1 3.93Å; F1036-I1040 HydrophobicContact CE2-CG2 4.38Å; F1036-I1040 PolarHBondContact O-N 2.9Å; F1036-I1040 VanDerWaalsContact O-N 3.07Å; F1036-I1041 HydrophobicContact CD1-CD1 3.93Å; F1036-I1041 HydrophobicContact CD1-CG1 4.36Å; F1036-I1041 HydrophobicContact CE1-CD1 3.52Å; F1036-I1041 HydrophobicContact CE1-CG1 3.99Å; F1036-I1041 HydrophobicContact CZ-CD1 4.18Å; F1036-I1041 HydrophobicContact CZ-CG1 4.23Å
1037	W	88	Confident	86.4	Confident	53 Å²	53	73.6 Å²	73.6	20%	0.201	36%	0.361	C	S	.	.	H	α-helix	trans	-64.2	-43.6	177.9	-173.9	-104.6	0	0	0	112	A903 F1033 G1039 I1041 L1045	A903-W1037 HydrophobicContact CB-CD2 4.24Å; A903-W1037 HydrophobicContact CB-CH2 4.2Å; A903-W1037 HydrophobicContact CB-CZ2 3.64Å; F1033-W1037 HydrophobicContact CD1-CB 4.48Å; F1033-W1037 HydrophobicContact CE1-CB 4.17Å; F1033-W1037 HydrophobicContact CE1-CG 4.34Å; F1033-W1037 HydrophobicContact CZ-CB 4.34Å; F1033-W1037 HydrophobicContact CZ-CD2 4.3Å; F1033-W1037 HydrophobicContact CZ-CE3 4.11Å; F1033-W1037 HydrophobicContact CZ-CG 4.39Å; F1033-W1037 WeakPolarHBondContact O-CB 3.3Å; F1033-W1037 PolarHBondContact O-N 2.87Å; W1037-G1039 VanDerWaalsContact C-N 3.3Å; W1037-G1039 PolarHBondContact O-N 3.36Å; W1037-I1041 HydrophobicContact CE3-CB 4.41Å; W1037-I1041 HydrophobicContact CE3-CD1 3.75Å; W1037-I1041 HydrophobicContact CE3-CG2 4.23Å; W1037-I1041 HydrophobicContact CH2-CG2 4.42Å; W1037-I1041 HydrophobicContact CZ3-CD1 3.99Å; W1037-I1041 HydrophobicContact CZ3-CG2 3.9Å; W1037-L1045 HydrophobicContact CH2-CD1 3.68Å; W1037-L1045 HydrophobicContact CH2-CD2 3.82Å; W1037-L1045 HydrophobicContact CH2-CG 4.37Å; W1037-L1045 HydrophobicContact CZ2-CD1 3.59Å; W1037-L1045 HydrophobicContact CZ2-CD2 4.35Å; W1037-L1045 HydrophobicContact CZ3-CD1 4.39Å
1038	G	85.6	Confident	85.7	Confident	7 Å²	7	78.3 Å²	78.3	7%	0.072	38%	0.383	C	S	.	.	H	α-helix	trans	-72	-18.9	178.4	0	0	0	0	0	114.6	S1034 F1052	S1034-G1038 PolarHBondContact O-N 2.94Å; G1038-F1052 PolarHBondContact O-N 3.19Å
1039	G	84.6	Confident	85.1	Confident	31 Å²	31	79.6 Å²	79.6	32%	0.32	37%	0.374	S	S	.	.	H	α-helix	trans	-104	-53.7	-172.7	0	0	0	0	0	115.7	F1035 F1036 W1037	F1035-G1039 PolarHBondContact O-N 3.02Å; F1036-G1039 PolarHBondContact O-N 3.4Å; W1037-G1039 VanDerWaalsContact C-N 3.3Å; W1037-G1039 PolarHBondContact O-N 3.36Å
1040	I	81.4	Confident	84.6	Confident	110 Å²	110	76.2 Å²	76.2	56%	0.564	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-32.5	-161.3	-63.6	172.8	0	0	0	113.4	F1036 W1042 P1043	F1036-I1040 HydrophobicContact CD2-CB 4.42Å; F1036-I1040 HydrophobicContact CD2-CD1 3.92Å; F1036-I1040 HydrophobicContact CE2-CB 4.23Å; F1036-I1040 HydrophobicContact CE2-CD1 3.93Å; F1036-I1040 HydrophobicContact CE2-CG2 4.38Å; F1036-I1040 PolarHBondContact O-N 2.9Å; F1036-I1040 VanDerWaalsContact O-N 3.07Å; I1040-W1042 VanDerWaalsContact C-N 3.3Å; I1040-W1042 PolarHBondContact O-N 3.39Å; I1040-P1043 WeakPolarHBondContact O-CD 3.34Å
1041	I	80.7	Confident	84.4	Confident	37 Å²	37	82.5 Å²	82.5	19%	0.19	38%	0.384	C	S	.	.			trans	-79	-9.6	-166.3	-61.9	-163.5	0	0	0	114	F1036 W1037 P1043 F1044 L1045	F1036-I1041 HydrophobicContact CD1-CD1 3.93Å; F1036-I1041 HydrophobicContact CD1-CG1 4.36Å; F1036-I1041 HydrophobicContact CE1-CD1 3.52Å; F1036-I1041 HydrophobicContact CE1-CG1 3.99Å; F1036-I1041 HydrophobicContact CZ-CD1 4.18Å; F1036-I1041 HydrophobicContact CZ-CG1 4.23Å; W1037-I1041 HydrophobicContact CE3-CB 4.41Å; W1037-I1041 HydrophobicContact CE3-CD1 3.75Å; W1037-I1041 HydrophobicContact CE3-CG2 4.23Å; W1037-I1041 HydrophobicContact CH2-CG2 4.42Å; W1037-I1041 HydrophobicContact CZ3-CD1 3.99Å; W1037-I1041 HydrophobicContact CZ3-CG2 3.9Å; I1041-P1043 VanDerWaalsContact C-N 3.34Å; I1041-P1043 WeakPolarHBondContact O-CD 3.45Å; I1041-P1043 VanDerWaalsContact O-N 3.1Å; I1041-F1044 PolarHBondContact O-N 2.75Å; I1041-F1044 VanDerWaalsContact O-N 3.13Å; I1041-L1045 HydrophobicContact CG2-CD1 3.77Å; I1041-L1045 HydrophobicContact CG2-CD2 4.39Å; I1041-L1045 HydrophobicContact CG2-CG 3.89Å
1042	W	73.2	Confident	84.2	Confident	111 Å²	111	85.8 Å²	85.8	42%	0.42	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-54.2	-29.3	-173.7	68.3	-88.4	0	0	0	117	I1040 F1044 Q1048 Y1051	I1040-W1042 VanDerWaalsContact C-N 3.3Å; I1040-W1042 PolarHBondContact O-N 3.39Å; W1042-F1044 VanDerWaalsContact C-N 3.3Å; W1042-F1044 PolarHBondContact O-N 3.27Å; W1042-Q1048 HydrophobicContact CB-CG 4.29Å; W1042-Q1048 PolarHBondContact O-NE2 3.03Å; W1042-Q1048 VanDerWaalsContact O-NE2 3.16Å; W1042-Y1051 HydrophobicContact CB-CD2 4.22Å; W1042-Y1051 AromaticContact CD1-CD2 3.89Å; W1042-Y1051 AromaticContact CD1-CE2 3.8Å; W1042-Y1051 AromaticContact CG-CD2 3.97Å; W1042-Y1051 HydrophobicContact CG-CD2 3.97Å; W1042-Y1051 HydrophobicContact CG-CE2 4.2Å; W1042-Y1051 AromaticContact NE1-CE2 3.94Å
1043	P	79.7	Confident	84	Confident	72 Å²	72	80.4 Å²	80.4	47%	0.468	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-70.4	-23.4	179	-20.5	34.8	0	0	0	114.2	I1040 I1041	I1040-P1043 WeakPolarHBondContact O-CD 3.34Å; I1041-P1043 VanDerWaalsContact C-N 3.34Å; I1041-P1043 WeakPolarHBondContact O-CD 3.45Å; I1041-P1043 VanDerWaalsContact O-N 3.1Å
1044	F	77.8	Confident	84	Confident	181 Å²	181	79.4 Å²	79.4	79%	0.794	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-97.5	-3.3	-173.5	-58.2	-75	0	0	0	113.4	I1041 W1042	I1041-F1044 PolarHBondContact O-N 2.75Å; I1041-F1044 VanDerWaalsContact O-N 3.13Å; W1042-F1044 VanDerWaalsContact C-N 3.3Å; W1042-F1044 PolarHBondContact O-N 3.27Å
1045	L	79.1	Confident	83.9	Confident	63 Å²	63	80.7 Å²	80.7	33%	0.33	38%	0.379	S	S	.	.	S	Bend	trans	-103.5	143.5	-176.4	-65.4	172.5	0	0	0	111.7	W1037 I1041 Q1047	W1037-L1045 HydrophobicContact CH2-CD1 3.68Å; W1037-L1045 HydrophobicContact CH2-CD2 3.82Å; W1037-L1045 HydrophobicContact CH2-CG 4.37Å; W1037-L1045 HydrophobicContact CZ2-CD1 3.59Å; W1037-L1045 HydrophobicContact CZ2-CD2 4.35Å; W1037-L1045 HydrophobicContact CZ3-CD1 4.39Å; I1041-L1045 HydrophobicContact CG2-CD1 3.77Å; I1041-L1045 HydrophobicContact CG2-CD2 4.39Å; I1041-L1045 HydrophobicContact CG2-CG 3.89Å; L1045-Q1047 PolarHBondContact O-N 3.28Å
1046	K	76	Confident	83.9	Confident	216 Å²	216	78.4 Å²	78.4	94%	0.939	37%	0.37	S	S	*	.	S	Bend	trans	-67.6	-21	176.7	-67.2	-174.7	177.7	-176.8	0	113.8
1047	Q	73.8	Confident	83.9	Confident	126 Å²	126	74.5 Å²	74.5	59%	0.589	35%	0.352	S	S	*	.			trans	-143.1	134.5	-176.9	-67.3	179.3	-3.6	0	0	110.9	L1045	L1045-Q1047 PolarHBondContact O-N 3.28Å
1048	Q	78.9	Confident	84	Confident	111 Å²	111	73.2 Å²	73.2	52%	0.519	35%	0.349	S	S	.	.			trans	-113.4	50.7	-169.1	-64.3	168.9	-3.3	0	0	112.4	W1042	W1042-Q1048 HydrophobicContact CB-CG 4.29Å; W1042-Q1048 PolarHBondContact O-NE2 3.03Å; W1042-Q1048 VanDerWaalsContact O-NE2 3.16Å
1049	R	84.4	Confident	84.3	Confident	89 Å²	89	76.5 Å²	76.5	34%	0.336	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-19.2	-173	69	179.4	85.2	174.6	2.8	115.1	D901 W990	D901-R1049 WeakPolarHBondContact OD1-CD 3.21Å; W990-R1049 HydrophobicContact CD2-CG 4.5Å; W990-R1049 VanDerWaalsContact CH2-NH1 3.27Å; W990-R1049 VanDerWaalsContact CZ2-CD 3.42Å; W990-R1049 HydrophobicContact CZ2-CG 4.44Å
1050	M	85	Confident	84.6	Confident	10 Å²	10	75 Å²	75	5%	0.049	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	7.5	-175.7	-69.2	-61.2	-71.6	0	0	113.9	D901 Y904 W990 T994 F1052 V1053	D901-M1050 HydrophobicContact CB-CE 4.39Å; D901-M1050 HydrophobicContact CB-CG 3.87Å; D901-M1050 HydrophobicContact CB-SD 3.93Å; Y904-M1050 HydrophobicContact CD2-CE 4.45Å; Y904-M1050 HydrophobicContact CE2-CE 3.59Å; W990-M1050 HydrophobicContact CB-SD 3.88Å; W990-M1050 HydrophobicContact CD2-SD 4.44Å; W990-M1050 HydrophobicContact CE3-SD 4.34Å; W990-M1050 HydrophobicContact CG-SD 4.26Å; T994-M1050 HydrophobicContact CG2-CE 3.27Å; T994-M1050 HydrophobicContact CG2-SD 4.34Å; M1050-F1052 PolarHBondContact O-N 3.37Å; M1050-F1052 VanDerWaalsContact O-N 3.16Å; M1050-V1053 PolarHBondContact O-N 2.95Å
1051	Y	89.1	Confident	85.1	Confident	132 Å²	132	73.9 Å²	73.9	52%	0.518	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	121.1	-176.4	178.1	-102.5	0	0	0	111	W1042 V1053	W1042-Y1051 HydrophobicContact CB-CD2 4.22Å; W1042-Y1051 AromaticContact CD1-CD2 3.89Å; W1042-Y1051 AromaticContact CD1-CE2 3.8Å; W1042-Y1051 AromaticContact CG-CD2 3.97Å; W1042-Y1051 HydrophobicContact CG-CD2 3.97Å; W1042-Y1051 HydrophobicContact CG-CE2 4.2Å; W1042-Y1051 AromaticContact NE1-CE2 3.94Å; Y1051-V1053 PolarHBondContact O-N 3.33Å
1052	F	89.6	Confident	85.6	Confident	116 Å²	116	74.4 Å²	74.4	51%	0.509	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	2.1	179.1	-152.5	-109.6	0	0	0	116.9	G1038 M1050 F1054 A1055 Q1056	G1038-F1052 PolarHBondContact O-N 3.19Å; M1050-F1052 PolarHBondContact O-N 3.37Å; M1050-F1052 VanDerWaalsContact O-N 3.16Å; F1052-F1054 PolarHBondContact O-N 2.96Å; F1052-A1055 HydrophobicContact CD1-CB 4.41Å; F1052-A1055 HydrophobicContact CD2-CB 3.84Å; F1052-A1055 HydrophobicContact CE1-CB 4.19Å; F1052-A1055 HydrophobicContact CE2-CB 3.59Å; F1052-A1055 HydrophobicContact CG-CB 4.25Å; F1052-A1055 HydrophobicContact CZ-CB 3.78Å; F1052-A1055 PolarHBondContact O-N 3.35Å; F1052-Q1056 HydrophobicContact CD1-CB 4.28Å; F1052-Q1056 WeakPolarHBondContact O-CB 3.42Å; F1052-Q1056 PolarHBondContact O-N 2.85Å
1053	V	91	Very high	86.5	Confident	16 Å²	16	69.2 Å²	69.2	10%	0.097	34%	0.341	C	S	.	.	H	α-helix	trans	-58.1	-44.9	-176.4	173.2	0	0	0	0	112	W990 T991 T994 M1050 Y1051 Q1056 M1057	W990-V1053 HydrophobicContact CB-CG1 4.4Å; T991-V1053 HydrophobicContact CG2-CG1 4.45Å; T994-V1053 HydrophobicContact CG2-CG1 4.18Å; M1050-V1053 PolarHBondContact O-N 2.95Å; Y1051-V1053 PolarHBondContact O-N 3.33Å; V1053-Q1056 PolarHBondContact O-N 3.45Å; V1053-M1057 WeakPolarHBondContact O-CB 3.32Å; V1053-M1057 PolarHBondContact O-N 3.06Å
1054	F	91.9	Very high	87.1	Confident	5 Å²	5	71.6 Å²	71.6	2%	0.022	34%	0.341	C	S	.	.	H	α-helix	trans	-69.2	-40.2	-178	-170.7	-103.6	0	0	0	112.6	V1031 F1035 F1052 M1057 L1058	V1031-F1054 HydrophobicContact CG1-CE1 4.47Å; F1035-F1054 HydrophobicContact CD1-CD1 4.36Å; F1035-F1054 HydrophobicContact CD2-CD1 4.03Å; F1035-F1054 AromaticContact CD2-CE1 3.74Å; F1035-F1054 HydrophobicContact CD2-CE1 3.74Å; F1035-F1054 HydrophobicContact CE1-CD1 4.43Å; F1035-F1054 HydrophobicContact CE2-CD1 4.1Å; F1035-F1054 AromaticContact CE2-CE1 3.67Å; F1035-F1054 HydrophobicContact CE2-CE1 3.67Å; F1035-F1054 HydrophobicContact CG-CD1 4.16Å; F1035-F1054 HydrophobicContact CG-CE1 4.32Å; F1035-F1054 HydrophobicContact CZ-CD1 4.3Å; F1035-F1054 HydrophobicContact CZ-CE1 4.22Å; F1052-F1054 PolarHBondContact O-N 2.96Å; F1054-M1057 HydrophobicContact CD2-CE 3.61Å; F1054-M1057 HydrophobicContact CE2-CE 3.5Å; F1054-M1057 VanDerWaalsContact CE2-CE 3.5Å; F1054-M1057 HydrophobicContact CG-CE 4.49Å; F1054-M1057 HydrophobicContact CZ-CE 4.31Å; F1054-M1057 WeakPolarHBondContact O-CB 3.41Å; F1054-M1057 PolarHBondContact O-N 3.26Å; F1054-L1058 HydrophobicContact CD1-CD1 4Å; F1054-L1058 HydrophobicContact CE1-CD1 3.47Å; F1054-L1058 VanDerWaalsContact CE1-CD1 3.47Å; F1054-L1058 HydrophobicContact CE1-CG 4.36Å; F1054-L1058 HydrophobicContact CZ-CD1 3.84Å; F1054-L1058 HydrophobicContact CZ-CG 4.46Å; F1054-L1058 WeakPolarHBondContact O-CG 3.4Å; F1054-L1058 PolarHBondContact O-N 3.34Å
1055	A	90.9	Very high	87.9	Confident	27 Å²	27	68.6 Å²	68.6	22%	0.223	33%	0.333	C	S	.	.	H	α-helix	trans	-66.6	-40.5	176.8	0	0	0	0	0	111.3	F1035 F1052 L1058 S1059	F1035-A1055 HydrophobicContact CE1-CB 4.11Å; F1052-A1055 HydrophobicContact CD1-CB 4.41Å; F1052-A1055 HydrophobicContact CD2-CB 3.84Å; F1052-A1055 HydrophobicContact CE1-CB 4.19Å; F1052-A1055 HydrophobicContact CE2-CB 3.59Å; F1052-A1055 HydrophobicContact CG-CB 4.25Å; F1052-A1055 HydrophobicContact CZ-CB 3.78Å; F1052-A1055 PolarHBondContact O-N 3.35Å; A1055-L1058 PolarHBondContact O-N 2.93Å; A1055-S1059 PolarHBondContact O-N 3.08Å
1056	Q	89.9	Confident	88.7	Confident	51 Å²	51	66.3 Å²	66.3	24%	0.238	32%	0.323	C	S	.	.	H	α-helix	trans	-63.5	-45.1	175.7	-171.3	177.6	-5.4	0	0	111.6	E981 Y987 F1052 V1053 L1058 S1059	E981-Q1056 WeakPolarHBondContact OE1-CG 3.24Å; E981-Q1056 PolarHBondContact OE1-NE2 3.44Å; Y987-Q1056 HydrophobicContact CE1-CG 4.26Å; F1052-Q1056 HydrophobicContact CD1-CB 4.28Å; F1052-Q1056 WeakPolarHBondContact O-CB 3.42Å; F1052-Q1056 PolarHBondContact O-N 2.85Å; V1053-Q1056 PolarHBondContact O-N 3.45Å; Q1056-L1058 VanDerWaalsContact C-N 3.31Å; Q1056-L1058 PolarHBondContact O-N 3.28Å; Q1056-S1059 WeakPolarHBondContact O-CB 3.43Å; Q1056-S1059 PolarHBondContact O-N 2.88Å; Q1056-S1059 VanDerWaalsContact O-N 3.13Å; Q1056-S1059 PolarHBondContact O-OG 3.45Å
1057	M	91.9	Very high	89.6	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-54	-45.2	176.4	-176.9	-169	76.3	0	0	112.8	Y987 T991 T994 I995 V1053 F1054 S1059 T1063	Y987-M1057 PolarHBondContact OH-O 2.85Å; T991-M1057 HydrophobicContact CG2-CB 3.92Å; T991-M1057 HydrophobicContact CG2-CG 4.13Å; T994-M1057 PolarHBondContact OG1-SD 3.46Å; I995-M1057 HydrophobicContact CB-SD 4.26Å; I995-M1057 HydrophobicContact CD1-CG 4.1Å; I995-M1057 HydrophobicContact CD1-SD 4.5Å; I995-M1057 HydrophobicContact CG1-CG 3.54Å; I995-M1057 HydrophobicContact CG1-SD 3.37Å; I995-M1057 WeakPolarHBondContact CG1-SD 3.24Å; V1053-M1057 WeakPolarHBondContact O-CB 3.32Å; V1053-M1057 PolarHBondContact O-N 3.06Å; F1054-M1057 HydrophobicContact CD2-CE 3.61Å; F1054-M1057 HydrophobicContact CE2-CE 3.5Å; F1054-M1057 VanDerWaalsContact CE2-CE 3.5Å; F1054-M1057 HydrophobicContact CG-CE 4.49Å; F1054-M1057 HydrophobicContact CZ-CE 4.31Å; F1054-M1057 WeakPolarHBondContact O-CB 3.41Å; F1054-M1057 PolarHBondContact O-N 3.26Å; M1057-S1059 VanDerWaalsContact C-N 3.28Å; M1057-S1059 PolarHBondContact O-N 3.29Å; M1057-T1063 HydrophobicContact CG-CG2 4.04Å
1058	L	90.6	Very high	90.6	Very high	27 Å²	27	55.5 Å²	55.5	14%	0.141	28%	0.278	C	S	.	.	H	α-helix	trans	-77.1	-10.2	-177.4	-64.4	-179.6	0	0	0	113.9	F1035 F1054 A1055 Q1056 S1060 W1064	F1035-L1058 HydrophobicContact CE2-CD1 3.78Å; F1035-L1058 HydrophobicContact CZ-CD1 3.6Å; F1054-L1058 HydrophobicContact CD1-CD1 4Å; F1054-L1058 HydrophobicContact CE1-CD1 3.47Å; F1054-L1058 VanDerWaalsContact CE1-CD1 3.47Å; F1054-L1058 HydrophobicContact CE1-CG 4.36Å; F1054-L1058 HydrophobicContact CZ-CD1 3.84Å; F1054-L1058 HydrophobicContact CZ-CG 4.46Å; F1054-L1058 WeakPolarHBondContact O-CG 3.4Å; F1054-L1058 PolarHBondContact O-N 3.34Å; A1055-L1058 PolarHBondContact O-N 2.93Å; Q1056-L1058 VanDerWaalsContact C-N 3.31Å; Q1056-L1058 PolarHBondContact O-N 3.28Å; L1058-S1060 VanDerWaalsContact C-N 3.26Å; L1058-S1060 PolarHBondContact O-N 3.02Å; L1058-W1064 HydrophobicContact CB-CZ2 4.21Å; L1058-W1064 HydrophobicContact CD1-CZ2 4.37Å; L1058-W1064 HydrophobicContact CD2-CH2 4.11Å; L1058-W1064 HydrophobicContact CD2-CZ2 3.63Å; L1058-W1064 HydrophobicContact CG-CZ2 4.28Å; L1058-W1064 PolarHBondContact O-NE1 3.38Å
1059	S	90.5	Very high	91.5	Very high	75 Å²	75	54.9 Å²	54.9	52%	0.524	28%	0.278	S	S	.	.	H	α-helix	trans	-71.1	-22.5	176.9	73.6	0	0	0	0	113.1	A1055 Q1056 M1057	A1055-S1059 PolarHBondContact O-N 3.08Å; Q1056-S1059 WeakPolarHBondContact O-CB 3.43Å; Q1056-S1059 PolarHBondContact O-N 2.88Å; Q1056-S1059 VanDerWaalsContact O-N 3.13Å; Q1056-S1059 PolarHBondContact O-OG 3.45Å; M1057-S1059 VanDerWaalsContact C-N 3.28Å; M1057-S1059 PolarHBondContact O-N 3.29Å
1060	S	91.5	Very high	92.1	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.007	27%	0.265	C	S	.	.			trans	-88.4	118.6	-179.4	166	0	0	0	0	111.9	L980 Y987 L1058 S1062 T1063 W1064	L980-S1060 WeakPolarHBondContact O-CB 3.33Å; L980-S1060 PolarHBondContact O-OG 3.49Å; Y987-S1060 WeakPolarHBondContact OH-CB 3.32Å; L1058-S1060 VanDerWaalsContact C-N 3.26Å; L1058-S1060 PolarHBondContact O-N 3.02Å; S1060-S1062 VanDerWaalsContact C-N 3.31Å; S1060-S1062 PolarHBondContact O-N 3.41Å; S1060-S1062 PolarHBondContact OG-N 3.4Å; S1060-T1063 VanDerWaalsContact CB-OG1 3.29Å; S1060-T1063 WeakPolarHBondContact CB-OG1 3.41Å; S1060-T1063 WeakPolarHBondContact O-CB 3.27Å; S1060-T1063 PolarHBondContact O-N 2.99Å; S1060-T1063 PolarHBondContact OG-N 3.36Å; S1060-T1063 PolarHBondContact OG-OG1 3.1Å; S1060-W1064 VanDerWaalsContact O-CD1 3.32Å; S1060-W1064 PolarHBondContact O-N 3.49Å
1061	V	91.6	Very high	92.6	Very high	86 Å²	86	51.6 Å²	51.6	52%	0.521	27%	0.267	S	S	.	.	H	α-helix	trans	-62.4	-35.3	174.1	64.3	0	0	0	0	113	T1063 W1064 L1065	V1061-T1063 PolarHBondContact O-N 2.89Å; V1061-W1064 WeakPolarHBondContact O-CB 3.42Å; V1061-W1064 PolarHBondContact O-N 3.4Å; V1061-W1064 VanDerWaalsContact O-N 3.15Å; V1061-L1065 PolarHBondContact O-N 3.37Å
1062	S	91.8	Very high	93	Very high	48 Å²	48	51 Å²	51	34%	0.336	27%	0.267	S	S	.	.	H	α-helix	trans	-59	-39.4	175.8	-177.2	0	0	0	0	111.4	S1060 W1064 L1065 A1066	S1060-S1062 VanDerWaalsContact C-N 3.31Å; S1060-S1062 PolarHBondContact O-N 3.41Å; S1060-S1062 PolarHBondContact OG-N 3.4Å; S1062-W1064 PolarHBondContact O-N 3.48Å; S1062-L1065 PolarHBondContact O-N 3.18Å; S1062-A1066 PolarHBondContact O-N 2.74Å
1063	T	91.4	Very high	93.3	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-39.3	177.5	-52.2	0	0	0	0	111.7	I995 M1057 S1060 V1061 A1066 I1067	I995-T1063 HydrophobicContact CD1-CG2 3.79Å; I995-T1063 HydrophobicContact CG1-CG2 3.92Å; M1057-T1063 HydrophobicContact CG-CG2 4.04Å; S1060-T1063 VanDerWaalsContact CB-OG1 3.29Å; S1060-T1063 WeakPolarHBondContact CB-OG1 3.41Å; S1060-T1063 WeakPolarHBondContact O-CB 3.27Å; S1060-T1063 PolarHBondContact O-N 2.99Å; S1060-T1063 PolarHBondContact OG-N 3.36Å; S1060-T1063 PolarHBondContact OG-OG1 3.1Å; V1061-T1063 PolarHBondContact O-N 2.89Å; T1063-A1066 PolarHBondContact O-N 2.91Å; T1063-I1067 HydrophobicContact CG2-CD1 3.96Å; T1063-I1067 HydrophobicContact CG2-CG1 4.48Å; T1063-I1067 VanDerWaalsContact O-CG1 3.25Å; T1063-I1067 WeakPolarHBondContact O-CG1 3.21Å; T1063-I1067 PolarHBondContact O-N 2.9Å
1064	W	93.6	Very high	93.6	Very high	123 Å²	123	48 Å²	48	47%	0.466	26%	0.255	S	S	.	.	H	α-helix	trans	-63.2	-47	176.1	-76.8	97.3	0	0	0	113	L1058 S1060 V1061 S1062 A1066 I1067 I1068	L1058-W1064 HydrophobicContact CB-CZ2 4.21Å; L1058-W1064 HydrophobicContact CD1-CZ2 4.37Å; L1058-W1064 HydrophobicContact CD2-CH2 4.11Å; L1058-W1064 HydrophobicContact CD2-CZ2 3.63Å; L1058-W1064 HydrophobicContact CG-CZ2 4.28Å; L1058-W1064 PolarHBondContact O-NE1 3.38Å; S1060-W1064 VanDerWaalsContact O-CD1 3.32Å; S1060-W1064 PolarHBondContact O-N 3.49Å; V1061-W1064 WeakPolarHBondContact O-CB 3.42Å; V1061-W1064 PolarHBondContact O-N 3.4Å; V1061-W1064 VanDerWaalsContact O-N 3.15Å; S1062-W1064 PolarHBondContact O-N 3.48Å; W1064-A1066 VanDerWaalsContact C-N 3.29Å; W1064-A1066 PolarHBondContact O-N 2.89Å; W1064-I1067 PolarHBondContact O-N 3.48Å; W1064-I1068 WeakPolarHBondContact O-CG1 3.49Å; W1064-I1068 PolarHBondContact O-N 3.01Å
1065	L	94.6	Very high	93.8	Very high	117 Å²	117	48.3 Å²	48.3	61%	0.613	26%	0.257	S	S	*	.	H	α-helix	trans	-60.6	-41.5	177.7	-68.8	174.8	0	0	0	111.3	V1061 S1062 L1069	V1061-L1065 PolarHBondContact O-N 3.37Å; S1062-L1065 PolarHBondContact O-N 3.18Å; L1065-L1069 VanDerWaalsContact O-CB 3.27Å; L1065-L1069 WeakPolarHBondContact O-CB 3.43Å; L1065-L1069 PolarHBondContact O-N 2.91Å
1066	A	94	Very high	94	Very high	15 Å²	15	52 Å²	52	12%	0.124	27%	0.268	C	S	.	.	H	α-helix	trans	-64.1	-45.2	175.9	0	0	0	0	0	112.1	L974 S1062 T1063 W1064 I1068 L1069 L1070	L974-A1066 HydrophobicContact CD1-CB 4.06Å; L974-A1066 HydrophobicContact CD2-CB 3.64Å; L974-A1066 HydrophobicContact CG-CB 4.41Å; S1062-A1066 PolarHBondContact O-N 2.74Å; T1063-A1066 PolarHBondContact O-N 2.91Å; W1064-A1066 VanDerWaalsContact C-N 3.29Å; W1064-A1066 PolarHBondContact O-N 2.89Å; A1066-I1068 PolarHBondContact O-N 2.71Å; A1066-L1069 PolarHBondContact O-N 3.07Å; A1066-L1070 WeakPolarHBondContact O-CB 3.43Å; A1066-L1070 WeakPolarHBondContact O-CG 3.28Å; A1066-L1070 PolarHBondContact O-N 3.18Å
1067	I	95.1	Very high	94.3	Very high	9 Å²	9	51.5 Å²	51.5	5%	0.046	27%	0.27	C	S	.	.	H	α-helix	trans	-58.9	-48.9	177.9	-71	165.9	0	0	0	110.8	I995 T998 V999 T1063 W1064 L1069 L1070 I1071	I995-I1067 HydrophobicContact CG2-CG1 4.33Å; T998-I1067 HydrophobicContact CG2-CD1 4.17Å; T998-I1067 HydrophobicContact CG2-CG2 4.38Å; V999-I1067 HydrophobicContact CG2-CB 4.25Å; V999-I1067 HydrophobicContact CG2-CG1 3.96Å; V999-I1067 HydrophobicContact CG2-CG2 4.14Å; T1063-I1067 HydrophobicContact CG2-CD1 3.96Å; T1063-I1067 HydrophobicContact CG2-CG1 4.48Å; T1063-I1067 VanDerWaalsContact O-CG1 3.25Å; T1063-I1067 WeakPolarHBondContact O-CG1 3.21Å; T1063-I1067 PolarHBondContact O-N 2.9Å; W1064-I1067 PolarHBondContact O-N 3.48Å; I1067-L1069 PolarHBondContact O-N 2.7Å; I1067-L1070 PolarHBondContact O-N 3.5Å; I1067-I1071 HydrophobicContact CG2-CD1 3.74Å; I1067-I1071 WeakPolarHBondContact O-CD1 3.25Å; I1067-I1071 VanDerWaalsContact O-CG1 3.25Å; I1067-I1071 WeakPolarHBondContact O-CG1 3.4Å; I1067-I1071 PolarHBondContact O-N 3.02Å
1068	I	96.2	Very high	94.3	Very high	106 Å²	106	52 Å²	52	54%	0.544	27%	0.272	S	S	.	.	H	α-helix	trans	-62	-44.5	-179.8	-65.8	167.1	0	0	0	110.9	W1064 A1066 I1071 F1072	W1064-I1068 WeakPolarHBondContact O-CG1 3.49Å; W1064-I1068 PolarHBondContact O-N 3.01Å; A1066-I1068 PolarHBondContact O-N 2.71Å; I1068-I1071 PolarHBondContact O-N 2.98Å; I1068-F1072 PolarHBondContact O-N 3.3Å
1069	L	96.5	Very high	94.5	Very high	98 Å²	98	53.8 Å²	53.8	51%	0.513	28%	0.281	S	S	.	.	H	α-helix	trans	-62.8	-45.1	178.5	179.1	62.8	0	0	0	111.9	L1065 A1066 I1067 F1072 I1073	L1065-L1069 VanDerWaalsContact O-CB 3.27Å; L1065-L1069 WeakPolarHBondContact O-CB 3.43Å; L1065-L1069 PolarHBondContact O-N 2.91Å; A1066-L1069 PolarHBondContact O-N 3.07Å; I1067-L1069 PolarHBondContact O-N 2.7Å; L1069-F1072 PolarHBondContact O-N 3.47Å; L1069-I1073 HydrophobicContact CD1-CD1 3.88Å; L1069-I1073 HydrophobicContact CD1-CG1 4.15Å; L1069-I1073 HydrophobicContact CD2-CD1 4.44Å; L1069-I1073 HydrophobicContact CG-CD1 3.81Å; L1069-I1073 HydrophobicContact CG-CG1 4.44Å; L1069-I1073 WeakPolarHBondContact O-CG1 3.04Å; L1069-I1073 PolarHBondContact O-N 3.21Å
1070	L	96.8	Very high	94.6	Very high	13 Å²	13	54.3 Å²	54.3	7%	0.068	28%	0.277	C	S	.	.	H	α-helix	trans	-64.9	-40.6	-179.9	-69.5	175	0	0	0	111.9	V966 V999 A1066 I1067 F1072 I1073 S1074	V966-L1070 HydrophobicContact CG1-CD2 3.98Å; V999-L1070 HydrophobicContact CG1-CB 3.75Å; V999-L1070 HydrophobicContact CG2-CB 4.28Å; V999-L1070 HydrophobicContact CG2-CD1 4.16Å; A1066-L1070 WeakPolarHBondContact O-CB 3.43Å; A1066-L1070 WeakPolarHBondContact O-CG 3.28Å; A1066-L1070 PolarHBondContact O-N 3.18Å; I1067-L1070 PolarHBondContact O-N 3.5Å; L1070-F1072 VanDerWaalsContact C-N 3.32Å; L1070-F1072 PolarHBondContact O-N 3.43Å; L1070-I1073 PolarHBondContact O-N 3.03Å; L1070-S1074 WeakPolarHBondContact O-CB 3.33Å; L1070-S1074 PolarHBondContact O-N 3.19Å; L1070-S1074 PolarHBondContact O-OG 2.89Å; L1070-S1074 VanDerWaalsContact O-OG 3.07Å
1071	I	96.9	Very high	94.6	Very high	18 Å²	18	56.1 Å²	56.1	9%	0.092	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-46.1	173.1	-66.8	162.4	0	0	0	110.2	V999 F1002 L1006 I1067 I1068 S1074 L1075	V999-I1071 HydrophobicContact CG1-CG1 4.17Å; F1002-I1071 HydrophobicContact CB-CD1 3.54Å; F1002-I1071 HydrophobicContact CB-CG1 4.14Å; F1002-I1071 HydrophobicContact CD1-CD1 4.31Å; F1002-I1071 HydrophobicContact CG-CD1 4.13Å; L1006-I1071 HydrophobicContact CD1-CG2 3.82Å; I1067-I1071 HydrophobicContact CG2-CD1 3.74Å; I1067-I1071 WeakPolarHBondContact O-CD1 3.25Å; I1067-I1071 VanDerWaalsContact O-CG1 3.25Å; I1067-I1071 WeakPolarHBondContact O-CG1 3.4Å; I1067-I1071 PolarHBondContact O-N 3.02Å; I1068-I1071 PolarHBondContact O-N 2.98Å; I1071-S1074 PolarHBondContact O-N 3.44Å; I1071-L1075 HydrophobicContact CG2-CD1 3.81Å; I1071-L1075 HydrophobicContact CG2-CG 4.43Å; I1071-L1075 WeakPolarHBondContact O-CG 3.42Å; I1071-L1075 PolarHBondContact O-N 3.13Å
1072	F	96.8	Very high	94.5	Very high	120 Å²	120	53.1 Å²	53.1	53%	0.526	27%	0.268	S	S	.	.	H	α-helix	trans	-62.7	-48.2	-179.7	-179.2	-96.2	0	0	0	112.4	I1068 L1069 L1070 S1074 L1075 F1076	I1068-F1072 PolarHBondContact O-N 3.3Å; L1069-F1072 PolarHBondContact O-N 3.47Å; L1070-F1072 VanDerWaalsContact C-N 3.32Å; L1070-F1072 PolarHBondContact O-N 3.43Å; F1072-S1074 VanDerWaalsContact C-N 3.29Å; F1072-S1074 PolarHBondContact O-N 3.48Å; F1072-L1075 PolarHBondContact O-N 2.91Å; F1072-F1076 HydrophobicContact CE1-CD2 4.18Å; F1072-F1076 HydrophobicContact CZ-CD2 4.11Å; F1072-F1076 WeakPolarHBondContact O-CB 3.14Å; F1072-F1076 PolarHBondContact O-N 3.14Å
1073	I	96.8	Very high	94.5	Very high	68 Å²	68	54.6 Å²	54.6	35%	0.349	27%	0.274	S	S	.	.	H	α-helix	trans	-60.8	-41.4	178.6	-67.7	170.5	0	0	0	110.7	V966 L1069 L1070 P1077	V966-I1073 HydrophobicContact CG1-CB 4.47Å; V966-I1073 HydrophobicContact CG1-CG2 4.05Å; V966-I1073 HydrophobicContact CG2-CG2 4.37Å; L1069-I1073 HydrophobicContact CD1-CD1 3.88Å; L1069-I1073 HydrophobicContact CD1-CG1 4.15Å; L1069-I1073 HydrophobicContact CD2-CD1 4.44Å; L1069-I1073 HydrophobicContact CG-CD1 3.81Å; L1069-I1073 HydrophobicContact CG-CG1 4.44Å; L1069-I1073 WeakPolarHBondContact O-CG1 3.04Å; L1069-I1073 PolarHBondContact O-N 3.21Å; L1070-I1073 PolarHBondContact O-N 3.03Å; I1073-P1077 WeakPolarHBondContact O-CD 3.11Å
1074	S	96.2	Very high	94.5	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.1	-40.5	178.2	-69.3	0	0	0	0	112.7	V966 F967 L1070 I1071 F1072 P1077	V966-S1074 WeakPolarHBondContact CG1-OG 3.47Å; F967-S1074 WeakPolarHBondContact CE1-OG 3.48Å; L1070-S1074 WeakPolarHBondContact O-CB 3.33Å; L1070-S1074 PolarHBondContact O-N 3.19Å; L1070-S1074 PolarHBondContact O-OG 2.89Å; L1070-S1074 VanDerWaalsContact O-OG 3.07Å; I1071-S1074 PolarHBondContact O-N 3.44Å; F1072-S1074 VanDerWaalsContact C-N 3.29Å; F1072-S1074 PolarHBondContact O-N 3.48Å; S1074-P1077 WeakPolarHBondContact O-CD 3.4Å; S1074-P1077 WeakPolarHBondContact O-CG 3.47Å
1075	L	96.1	Very high	94	Very high	12 Å²	12	59.5 Å²	59.5	6%	0.063	30%	0.304	C	S	.	.	H	α-helix	trans	-83.2	-18.2	-179	-64.4	177.9	0	0	0	114.2	T1003 L1006 K1007 L1010 I1071 F1072 E1078 I1079	T1003-L1075 HydrophobicContact CG2-CD2 3.75Å; T1003-L1075 HydrophobicContact CG2-CG 4.11Å; L1006-L1075 HydrophobicContact CB-CD1 3.77Å; L1006-L1075 HydrophobicContact CD1-CD1 4.43Å; K1007-L1075 HydrophobicContact CB-CD2 3.78Å; K1007-L1075 HydrophobicContact CD-CD2 4.32Å; L1010-L1075 HydrophobicContact CD1-CB 4.34Å; L1010-L1075 HydrophobicContact CD1-CD1 4.25Å; L1010-L1075 HydrophobicContact CD1-CD2 4.41Å; I1071-L1075 HydrophobicContact CG2-CD1 3.81Å; I1071-L1075 HydrophobicContact CG2-CG 4.43Å; I1071-L1075 WeakPolarHBondContact O-CG 3.42Å; I1071-L1075 PolarHBondContact O-N 3.13Å; F1072-L1075 PolarHBondContact O-N 2.91Å; L1075-E1078 WeakPolarHBondContact O-CB 3.41Å; L1075-E1078 PolarHBondContact O-N 2.84Å; L1075-I1079 HydrophobicContact CB-CD1 4.44Å; L1075-I1079 WeakPolarHBondContact O-CG1 3.43Å; L1075-I1079 PolarHBondContact O-N 3.34Å
1076	F	95.9	Very high	93.5	Very high	104 Å²	104	57 Å²	57	46%	0.456	29%	0.29	S	S	.	.	H	α-helix	trans	-50.4	-48.4	-179.3	-174.1	-102.9	0	0	0	115.3	F1072 E1078 I1079 L1080	F1072-F1076 HydrophobicContact CE1-CD2 4.18Å; F1072-F1076 HydrophobicContact CZ-CD2 4.11Å; F1072-F1076 WeakPolarHBondContact O-CB 3.14Å; F1072-F1076 PolarHBondContact O-N 3.14Å; F1076-E1078 PolarHBondContact O-N 2.83Å; F1076-I1079 PolarHBondContact O-N 2.99Å; F1076-L1080 PolarHBondContact O-N 3.27Å
1077	P	94.5	Very high	93.1	Very high	41 Å²	41	60.5 Å²	60.5	27%	0.266	31%	0.31	S	S	.	.	H	α-helix	trans	-59.1	-34.9	177.7	22.9	-35.3	0	0	0	112.9	L959 F962 I1073 S1074 L1081	L959-P1077 HydrophobicContact CD1-CB 4.46Å; L959-P1077 HydrophobicContact CD1-CG 3.92Å; F962-P1077 HydrophobicContact CD1-CG 4.04Å; F962-P1077 HydrophobicContact CE1-CG 3.77Å; I1073-P1077 WeakPolarHBondContact O-CD 3.11Å; S1074-P1077 WeakPolarHBondContact O-CD 3.4Å; S1074-P1077 WeakPolarHBondContact O-CG 3.47Å; P1077-L1081 PolarHBondContact O-N 2.84Å; P1077-L1081 VanDerWaalsContact O-N 3.08Å
1078	E	92.7	Very high	92.2	Very high	9 Å²	9	69.8 Å²	69.8	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-72.5	-42.8	177.5	-169.9	68.6	-168.9	0	0	111.7	Y955 K1007 L1075 F1076 L1080 L1081 I1082	Y955-E1078 PolarHBondContact OH-OE2 3.24Å; K1007-E1078 HydrophobicContact CD-CB 4.09Å; K1007-E1078 HydrophobicContact CD-CG 3.74Å; K1007-E1078 WeakPolarHBondContact CE-OE2 3.49Å; K1007-E1078 IonicContact NZ-OE1 3.93Å; K1007-E1078 PolarHBondContact NZ-OE1 3.46Å; K1007-E1078 IonicContact NZ-OE2 3Å; L1075-E1078 WeakPolarHBondContact O-CB 3.41Å; L1075-E1078 PolarHBondContact O-N 2.84Å; F1076-E1078 PolarHBondContact O-N 2.83Å; E1078-L1080 PolarHBondContact O-N 3.08Å; E1078-L1081 PolarHBondContact O-N 3.21Å; E1078-L1081 VanDerWaalsContact O-N 3.11Å; E1078-I1082 HydrophobicContact CG-CD1 4.17Å; E1078-I1082 HydrophobicContact CG-CG1 4.5Å; E1078-I1082 WeakPolarHBondContact O-CG1 3.17Å; E1078-I1082 PolarHBondContact O-N 3.47Å
1079	I	94.2	Very high	90.6	Very high	65 Å²	65	72.3 Å²	72.3	33%	0.333	35%	0.347	S	S	.	.	H	α-helix	trans	-56.1	-44.7	175.3	-65.8	170.5	0	0	0	109.7	L1010 L1075 F1076 L1081 I1082 V1083	L1010-I1079 HydrophobicContact CD1-CG1 4.02Å; L1075-I1079 HydrophobicContact CB-CD1 4.44Å; L1075-I1079 WeakPolarHBondContact O-CG1 3.43Å; L1075-I1079 PolarHBondContact O-N 3.34Å; F1076-I1079 PolarHBondContact O-N 2.99Å; I1079-L1081 PolarHBondContact O-N 2.78Å; I1079-I1082 PolarHBondContact O-N 3.11Å; I1079-V1083 WeakPolarHBondContact O-CG2 3.3Å; I1079-V1083 PolarHBondContact O-N 3.37Å
1080	L	93.6	Very high	88.9	Confident	87 Å²	87	77.3 Å²	77.3	46%	0.455	36%	0.36	S	S	.	.	H	α-helix	trans	-61.1	-44.2	177.1	-170.5	68.6	0	0	0	111.8	F1076 E1078 I1082 V1083 L1084	F1076-L1080 PolarHBondContact O-N 3.27Å; E1078-L1080 PolarHBondContact O-N 3.08Å; L1080-I1082 PolarHBondContact O-N 3.41Å; L1080-V1083 PolarHBondContact O-N 3.28Å; L1080-L1084 HydrophobicContact CG-CD1 4.2Å; L1080-L1084 WeakPolarHBondContact O-CG 3.44Å; L1080-L1084 PolarHBondContact O-N 3.32Å
1081	L	90.8	Very high	86.4	Confident	38 Å²	38	80.8 Å²	80.8	20%	0.199	39%	0.385	C	S	.	.	H	α-helix	trans	-63.6	-40.8	177.7	178.3	144.5	0	0	0	112.3	Y955 P1077 E1078 I1079 V1083 L1084 K1085	Y955-L1081 HydrophobicContact CE1-CD1 4.31Å; Y955-L1081 HydrophobicContact CE2-CD1 3.8Å; Y955-L1081 WeakPolarHBondContact OH-CD1 3.14Å; P1077-L1081 PolarHBondContact O-N 2.84Å; P1077-L1081 VanDerWaalsContact O-N 3.08Å; E1078-L1081 PolarHBondContact O-N 3.21Å; E1078-L1081 VanDerWaalsContact O-N 3.11Å; I1079-L1081 PolarHBondContact O-N 2.78Å; L1081-V1083 VanDerWaalsContact C-N 3.34Å; L1081-L1084 PolarHBondContact O-N 2.86Å; L1081-K1085 HydrophobicContact CD2-CD 3.66Å; L1081-K1085 HydrophobicContact CD2-CG 4.27Å; L1081-K1085 HydrophobicContact CG-CD 4.29Å; L1081-K1085 HydrophobicContact CG-CG 4.47Å; L1081-K1085 WeakPolarHBondContact O-CB 3.07Å; L1081-K1085 WeakPolarHBondContact O-CG 3.02Å; L1081-K1085 PolarHBondContact O-N 3.25Å
1082	I	89.8	Confident	84.1	Confident	24 Å²	24	84 Å²	84	12%	0.123	41%	0.414	C	S	.	.	H	α-helix	trans	-60.2	-46.6	176.2	-69.5	169.1	0	0	0	110	L1010 E1078 I1079 L1080 N1086	L1010-I1082 HydrophobicContact CB-CD1 4.16Å; E1078-I1082 HydrophobicContact CG-CD1 4.17Å; E1078-I1082 HydrophobicContact CG-CG1 4.5Å; E1078-I1082 WeakPolarHBondContact O-CG1 3.17Å; E1078-I1082 PolarHBondContact O-N 3.47Å; I1079-I1082 PolarHBondContact O-N 3.11Å; L1080-I1082 PolarHBondContact O-N 3.41Å; I1082-N1086 VanDerWaalsContact O-CB 3.32Å; I1082-N1086 WeakPolarHBondContact O-CB 3.35Å; I1082-N1086 PolarHBondContact O-N 3Å; I1082-N1086 PolarHBondContact O-ND2 3.47Å
1083	V	92.4	Very high	81.7	Confident	79 Å²	79	88.5 Å²	88.5	48%	0.479	43%	0.428	S	S	.	.	H	α-helix	trans	-60.8	-50.9	177.7	173.6	0	0	0	0	110.7	I1079 L1080 L1081 K1085 N1086 V1087	I1079-V1083 WeakPolarHBondContact O-CG2 3.3Å; I1079-V1083 PolarHBondContact O-N 3.37Å; L1080-V1083 PolarHBondContact O-N 3.28Å; L1081-V1083 VanDerWaalsContact C-N 3.34Å; V1083-K1085 PolarHBondContact O-N 3.14Å; V1083-N1086 PolarHBondContact O-N 3.42Å; V1083-V1087 HydrophobicContact CG1-CG2 4.26Å; V1083-V1087 VanDerWaalsContact O-CG2 3.3Å; V1083-V1087 WeakPolarHBondContact O-CG2 3.31Å; V1083-V1087 PolarHBondContact O-N 3.02Å
1084	L	90.4	Very high	78.9	Confident	109 Å²	109	90.5 Å²	90.5	57%	0.571	44%	0.439	S	S	*	.	H	α-helix	trans	-61	-42.9	-178.9	-70.9	175.1	0	0	0	112.6	L1080 L1081 R1088	L1080-L1084 HydrophobicContact CG-CD1 4.2Å; L1080-L1084 WeakPolarHBondContact O-CG 3.44Å; L1080-L1084 PolarHBondContact O-N 3.32Å; L1081-L1084 PolarHBondContact O-N 2.86Å; L1084-R1088 WeakPolarHBondContact O-CB 3.27Å; L1084-R1088 PolarHBondContact O-N 2.7Å; L1084-R1088 VanDerWaalsContact O-N 3.09Å
1085	K	83.3	Confident	76.2	Confident	118 Å²	118	96 Å²	96	51%	0.513	48%	0.475	S	S	.	.	H	α-helix	trans	-64.1	-41.8	176.8	-79.1	-174.1	178.8	173.4	0	111.7	L1081 V1083 R1089	L1081-K1085 HydrophobicContact CD2-CD 3.66Å; L1081-K1085 HydrophobicContact CD2-CG 4.27Å; L1081-K1085 HydrophobicContact CG-CD 4.29Å; L1081-K1085 HydrophobicContact CG-CG 4.47Å; L1081-K1085 WeakPolarHBondContact O-CB 3.07Å; L1081-K1085 WeakPolarHBondContact O-CG 3.02Å; L1081-K1085 PolarHBondContact O-N 3.25Å; V1083-K1085 PolarHBondContact O-N 3.14Å; K1085-R1089 WeakPolarHBondContact O-CB 3.43Å; K1085-R1089 VanDerWaalsContact O-CG 3.31Å; K1085-R1089 WeakPolarHBondContact O-CG 3.11Å; K1085-R1089 PolarHBondContact O-N 3.21Å; K1085-R1089 VanDerWaalsContact O-N 3.1Å
1086	N	84.8	Confident	73.4	Confident	63 Å²	63	102.5 Å²	102.5	34%	0.337	51%	0.51	S	S	.	.	H	α-helix	trans	-70.8	-40.5	-178	-72.4	-16.5	0	0	0	112.2	I1082 V1083 R1089 R1090	I1082-N1086 VanDerWaalsContact O-CB 3.32Å; I1082-N1086 WeakPolarHBondContact O-CB 3.35Å; I1082-N1086 PolarHBondContact O-N 3Å; I1082-N1086 PolarHBondContact O-ND2 3.47Å; V1083-N1086 PolarHBondContact O-N 3.42Å; N1086-R1089 PolarHBondContact O-N 3.44Å; N1086-R1090 PolarHBondContact O-N 2.83Å; N1086-R1090 VanDerWaalsContact O-N 3.1Å
1087	V	85.3	Confident	70.5	Confident	89 Å²	89	104.3 Å²	104.3	54%	0.539	52%	0.523	S	S	.	.	H	α-helix	trans	-64.9	-46.4	176.6	173.5	0	0	0	0	111	V1083 R1089 R1090 S1091	V1083-V1087 HydrophobicContact CG1-CG2 4.26Å; V1083-V1087 VanDerWaalsContact O-CG2 3.3Å; V1083-V1087 WeakPolarHBondContact O-CG2 3.31Å; V1083-V1087 PolarHBondContact O-N 3.02Å; V1087-R1089 VanDerWaalsContact C-N 3.3Å; V1087-R1089 PolarHBondContact O-N 3.37Å; V1087-R1090 PolarHBondContact O-N 2.75Å; V1087-R1090 VanDerWaalsContact O-N 3.13Å; V1087-S1091 PolarHBondContact O-N 3.47Å
1088	R	75.5	Confident	67.6	Low	205 Å²	205	111.1 Å²	111.1	77%	0.774	55%	0.551	S	S	*	*	H	α-helix	trans	-62.3	-36.7	178.1	-169.8	176.1	-179	179.2	1.8	112.5	L1084 S1091 A1092	L1084-R1088 WeakPolarHBondContact O-CB 3.27Å; L1084-R1088 PolarHBondContact O-N 2.7Å; L1084-R1088 VanDerWaalsContact O-N 3.09Å; R1088-S1091 PolarHBondContact O-N 3.18Å; R1088-A1092 WeakPolarHBondContact O-CB 3.21Å; R1088-A1092 PolarHBondContact O-N 2.98Å
1089	R	63.9	Low	65	Low	158 Å²	158	117.9 Å²	117.9	60%	0.596	59%	0.587	S	S	*	*	H	α-helix	trans	-65.3	-38.5	174.2	-79.1	177.5	178.6	-170.9	-0.4	112.6	K1085 N1086 V1087 A1092 R1093	K1085-R1089 WeakPolarHBondContact O-CB 3.43Å; K1085-R1089 VanDerWaalsContact O-CG 3.31Å; K1085-R1089 WeakPolarHBondContact O-CG 3.11Å; K1085-R1089 PolarHBondContact O-N 3.21Å; K1085-R1089 VanDerWaalsContact O-N 3.1Å; N1086-R1089 PolarHBondContact O-N 3.44Å; V1087-R1089 VanDerWaalsContact C-N 3.3Å; V1087-R1089 PolarHBondContact O-N 3.37Å; R1089-A1092 PolarHBondContact O-N 3.24Å; R1089-R1093 PolarHBondContact O-N 3.26Å
1090	R	59.8	Low	62.4	Low	204 Å²	204	120.5 Å²	120.5	77%	0.77	61%	0.608	S	S	*	*	H	α-helix	trans	-66.1	-44.6	175.2	-74.8	-178.2	178.3	179.2	-0.6	111.6	N1086 V1087 A1092 R1093 N1094	N1086-R1090 PolarHBondContact O-N 2.83Å; N1086-R1090 VanDerWaalsContact O-N 3.1Å; V1087-R1090 PolarHBondContact O-N 2.75Å; V1087-R1090 VanDerWaalsContact O-N 3.13Å; R1090-A1092 VanDerWaalsContact C-N 3.31Å; R1090-A1092 PolarHBondContact O-N 2.83Å; R1090-R1093 PolarHBondContact O-N 3.3Å; R1090-N1094 PolarHBondContact O-N 2.77Å
1091	S	43.9	Very low	59.5	Low	86 Å²	86	123.5 Å²	123.5	60%	0.601	62%	0.622	S	S	*	*	H	α-helix	trans	-62.9	-34.7	176.3	176.4	0	0	0	0	112.9	V1087 R1088 R1093	V1087-S1091 PolarHBondContact O-N 3.47Å; R1088-S1091 PolarHBondContact O-N 3.18Å; S1091-R1093 PolarHBondContact O-N 3.1Å
1092	A	49.2	Very low	56.9	Low	85 Å²	85	128.5 Å²	128.5	70%	0.702	65%	0.648	S	S	*	*	H	α-helix	trans	-75.4	-17.6	176.1	0	0	0	0	0	114.8	R1088 R1089 R1090	R1088-A1092 WeakPolarHBondContact O-CB 3.21Å; R1088-A1092 PolarHBondContact O-N 2.98Å; R1089-A1092 PolarHBondContact O-N 3.24Å; R1090-A1092 VanDerWaalsContact C-N 3.31Å; R1090-A1092 PolarHBondContact O-N 2.83Å
1093	R	47.6	Very low	54.1	Low	215 Å²	215	135.4 Å²	135.4	81%	0.811	68%	0.684	S	S	*	*	H	α-helix	trans	-87	-25.9	176.2	-90.1	-177.2	171.7	175.7	-3.7	113.2	R1089 R1090 S1091	R1089-R1093 PolarHBondContact O-N 3.26Å; R1090-R1093 PolarHBondContact O-N 3.3Å; S1091-R1093 PolarHBondContact O-N 3.1Å
1094	N	37.7	Very low	51	Low	110 Å²	110	136.4 Å²	136.4	59%	0.588	70%	0.695	S	S	*	*			trans	-123.9	89.7	178.4	-80.5	-3.7	0	0	0	110.5	R1090 N1096	R1090-N1094 PolarHBondContact O-N 2.77Å; N1094-N1096 PolarHBondContact O-N 3.1Å
1095	P	39.8	Very low	48.3	Very low	115 Å²	115	142.3 Å²	142.3	75%	0.747	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-12.3	173.1	28.2	-31.9	0	0	0	113.5
1096	N	36.4	Very low	45.8	Very low	149 Å²	149	145.8 Å²	145.8	80%	0.797	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.1	19.5	-169.5	-71.5	-4.6	0	0	0	115.8	N1094	N1094-N1096 PolarHBondContact O-N 3.1Å
1097	L	34.3	Very low	43.2	Very low	141 Å²	141	150.2 Å²	150.2	74%	0.738	75%	0.745	S	S	*	*			trans	-117.3	95.5	167.8	-114.3	92.3	0	0	0	110.1
1098	E	34.8	Very low	40.8	Very low	184 Å²	184	150.9 Å²	150.9	86%	0.86	75%	0.749	S	S	*	*			trans	-56.2	143.6	155.6	-70.8	-173.2	148.7	0	0	109.7
1099	L	37.9	Very low	38.7	Very low	151 Å²	151	148 Å²	148	79%	0.791	75%	0.749	S	S	*	*			trans	-50	151.8	172.1	-99.6	87.6	0	0	0	111.4	M1101	L1099-M1101 HydrophobicContact CD2-CG 4.47Å
1100	P	38.7	Very low	37.3	Very low	121 Å²	121	145.7 Å²	145.7	79%	0.786	76%	0.757	S	S	*	*				-126.1	140.4	113.5	18.5	-1.7	0	0	0	112.5
1101	M	33.1	Very low	35.9	Very low	150 Å²	150	139.6 Å²	139.6	74%	0.739	76%	0.757	S	S	*	*			trans	-55.2	142.2	163.6	-91.7	-169.4	-81.5	0	0	111.9	L1099	L1099-M1101 HydrophobicContact CD2-CG 4.47Å
1102	L	36.1	Very low	35.5	Very low	143 Å²	143	147 Å²	147	75%	0.749	77%	0.774	S	S	*	*			trans	53.7	107.2	141.6	-72.8	156.9	0	0	0	118.1
1103	L	30.4	Very low	34.9	Very low	168 Å²	168	152 Å²	152	88%	0.88	80%	0.804	S	S	*	*				169.7	141.9	107.4	-93.6	150.4	0	0	0	112.8
1104	S	28	Very low	34.3	Very low	101 Å²	101	148.9 Å²	148.9	71%	0.706	80%	0.804	S	S	*	*			trans	77.1	92.7	152.8	-164	0	0	0	0	119.5
1105	Y	33.7	Very low	34.1	Very low	233 Å²	233	150.9 Å²	150.9	91%	0.914	82%	0.815	S	S	*	*			trans	-55.8	126.1	146	-107.7	-102.8	0	0	0	111.3
1106	K	30.3	Very low	33.8	Very low	190 Å²	190	152.9 Å²	152.9	83%	0.826	82%	0.819	S	S	*	*			trans	-155.5	102.5	150.8	-103.2	-178.7	179.3	-179.2	0	106.9
1107	H	31.7	Very low	33.6	Very low	156 Å²	156	153.1 Å²	153.1	72%	0.722	82%	0.82	S	S	*	*				79.6	117	99.7	-116.8	-66.9	0	0	0	113.7
1108	T	33.3	Very low	33.6	Very low	103 Å²	103	153.9 Å²	153.9	63%	0.632	83%	0.825	S	S	*	*			trans	53.7	124.6	142.8	45.4	0	0	0	0	116.8
1109	D	31.4	Very low	33.5	Very low	145 Å²	145	151.9 Å²	151.9	78%	0.775	82%	0.823	S	S	*	*				-178.1	162.7	69	-105.7	-29.5	0	0	0	112.1
1110	S	35.8	Very low	33.2	Very low	110 Å²	110	151.9 Å²	151.9	77%	0.769	83%	0.825	S	S	*	*			trans	-16.9	145.9	161.7	55.7	0	0	0	0	119.9
1111	G	30.6	Very low	32.7	Very low	75 Å²	75	154.3 Å²	154.3	77%	0.773	83%	0.828	S	S	*	*			trans	-174.2	97.6	157.6	0	0	0	0	0	112.6
1112	Y	36	Very low	32.7	Very low	241 Å²	241	154.7 Å²	154.7	95%	0.945	84%	0.836	S	S	*	*			trans	-52.3	133	161.4	-87.5	-102.8	0	0	0	111.6
1113	S	35.4	Very low	32.4	Very low	191 Å²	191	155.7 Å²	155.7	100%	1.336	84%	0.843	S	S	*	*			trans	-178.3	0	135.3	54.8	0	0	0	0	109.1

Retrieved 1,113 of 1,113 residues in 1333.8 ms (Link to these results)

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