A0A087XWS5_POEFO Loading...

Niemann-Pick disease, type C1

AlphaFold DB , UniProt , Accession A0A087XWS5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,277 aa.

						>A0A087XWS5_POEFO|A0A087XWS5
MISERGMGPTAGRLGFTVLFFIILLSGYYRWVEAQHCVWYGECDESEKVPGKKYNCNYTGSPRPLKPEGYELLTELCPGYNYGNRSLCCDENQLRTLKGSLQLPLQFLSRCPSCFYNLMNLFCELTCSPHQSQFMNATKFEKDNVVEVQYYIGKTFANAMYNACQDVQAPSSNVKALSLLCGKDAQECNATNWIQYMFSTDNGQTPFPIIPVFSDVEVSGYTPMNNKTYACTEGLEDGSGPCSCQDCAAACGPKPVPPPLPPPWTILGMDAMSVIMWISYVAFLLIFAGVLVGAWCFRKRTITSEYGPILDSNNPLSLNSDNHNQENASCCETLGERFENLLRTFFSSWGSFCVRHPSVVLLGSLVLVTACSGGLVYMRITTDPVELWSSPASQARQEKNYFDEHFGPFFRTTQLIITTPINDTQTYSPYFGGSDVPFKAILFKDILHQVLDLQLEIENLVAEHDGKNVTLKDICLAPLAPYNNNCTILSVLNYFQNSHSVLDHSIGDEFYVYADYHSHFLYCVSAPASLNDTTLLHDPCLGTFGGPVFPWLALGGYDETNYNNATALVITFPLNNYLNDSVKMGQALAWEKEFIKFMKNFNNPNLTVAFSAERSVEDEIDRESNSDISTIVISYAIMFIYISLALGHIHSFRRLLVDSKISLGIAGILIVLSSVSSSLGIFSYAGVPLTLIVIEVIPFLVLAVGVDNIFIIVQTYQRDERMPQEELHHQIGRILGDIAPSMFLSSFSETVAFFLGALSNMPAVRTFSLFAGLAVFIDFLLQISCFVSLLGLDAKRQEGNRLDICCCVKLPERQEAKTEGLLFRFFKKFYAPFILKEWVRPIIVAVFVGMLSFSIAVVNKVEIGLDQKLSMPDDSYVLDYFKNLSEYLHTGAPVYFVVEDGHNYSSPEGQNSVCGGVGCNNNSLVQQIYSASLISNYTTIAYTPSSWLDDYFDWVKPQSTCCRFYNNTGAFCNASVVNSSCVSCRPMTPSGKQRPEGEDFMHFLPMFLSDNPNPKCGKGGHAAYATAVDLYPNNTGVGATYFMTYHTILKDSPDFIDALKMARILAKNISQSMDHKVFAYSVFYVFYEQYLTIAYDTALNLCVSLGAIFVVTTVLLGFELCSALMVSITIAMILVNMFGVMWLWDISLNAVSLVNLVMSCGISVEFCSHIVRAFSVSTKKSRVERAEEALAHMGSSVFSGITLTKFGGILILALSKSQIFQVFYFRMYLAIVLLGATHGLVFLPVLLSYIGPSANKAKVFAANQRLAGTEREPLIKH
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	31.9	Very low	236 Å²	236	140.7 Å²	140.7	100%	1.163	82%	0.818	S	S	*	*				0	112	0	-84.6	172	-179.8	0	0	108
2	I	29.8	Very low	31.7	Very low	162 Å²	162	135 Å²	135	83%	0.831	81%	0.812	S	S	*	*			trans	49.3	101.3	139.5	-56.7	174.1	0	0	0	116
3	S	28.7	Very low	31.7	Very low	90 Å²	90	143.4 Å²	143.4	63%	0.629	82%	0.82	S	S	*	*				96.2	144	87.6	-138.1	0	0	0	0	109.7
4	E	32.7	Very low	32	Very low	138 Å²	138	145.8 Å²	145.8	65%	0.645	83%	0.828	S	S	*	*			cis	-171.8	156.2	14.3	-140.8	163.1	159.4	0	0	110
5	R	31.1	Very low	31.8	Very low	224 Å²	224	140.7 Å²	140.7	85%	0.845	82%	0.82	S	S	*	*			trans	12.8	148.4	143.4	-63.2	169.1	-177.2	158.1	-10.4	119.9
6	G	29.2	Very low	32	Very low	67 Å²	67	144.2 Å²	144.2	69%	0.691	82%	0.823	S	S	*	*			cis	160	177.1	7.7	0	0	0	0	0	112.7
7	M	27.8	Very low	32.3	Very low	191 Å²	191	143 Å²	143	94%	0.941	82%	0.819	S	S	*	*			trans	71.7	118.7	152.1	-64.9	174.8	79.9	0	0	120.7
8	G	31.1	Very low	32.5	Very low	65 Å²	65	143.1 Å²	143.1	67%	0.67	82%	0.822	S	S	*	*			trans	-68.2	-174	150.1	0	0	0	0	0	112
9	P	43.1	Very low	33.1	Very low	127 Å²	127	144.1 Å²	144.1	83%	0.825	82%	0.824	S	S	*	*				-151.3	177.7	68.1	36.9	-14.7	0	0	0	117.4
10	T	34.1	Very low	33.3	Very low	137 Å²	137	145.9 Å²	145.9	84%	0.84	82%	0.822	S	S	*	*			trans	-36.3	146.8	169.6	52.8	0	0	0	0	121.3
11	A	29.8	Very low	33.5	Very low	111 Å²	111	148.2 Å²	148.2	92%	0.917	82%	0.824	S	S	*	*			trans	170.6	142.4	132.2	0	0	0	0	0	108.8
12	G	29.5	Very low	33.7	Very low	72 Å²	72	144.7 Å²	144.7	74%	0.742	81%	0.808	S	S	*	*			cis	178.1	150.5	-1	0	0	0	0	0	110.1
13	R	31.9	Very low	34.2	Very low	244 Å²	244	144.8 Å²	144.8	92%	0.921	81%	0.808	S	S	*	*			trans	46.1	116.9	148.9	-72.9	-176.9	175	-174.9	-1.7	122.9
14	L	34.9	Very low	34.7	Very low	177 Å²	177	148.5 Å²	148.5	93%	0.927	82%	0.82	S	S	*	*				51	127.7	111.6	-121.7	88.7	0	0	0	121.3
15	G	29.2	Very low	35	Very low	69 Å²	69	150 Å²	150	71%	0.711	83%	0.832	S	S	*	*			trans	152.3	83.8	158.2	0	0	0	0	0	111.2
16	F	36	Very low	35.2	Very low	197 Å²	197	145 Å²	145	86%	0.864	83%	0.831	S	S	*	*				43.6	133.4	101.5	-107.1	-88.7	0	0	0	115.9
17	T	35.6	Very low	35.5	Very low	124 Å²	124	145.4 Å²	145.4	76%	0.761	84%	0.835	S	S	*	*			trans	80.9	93.8	171.7	63.2	0	0	0	0	118.1
18	V	36.5	Very low	35.8	Very low	145 Å²	145	147 Å²	147	88%	0.879	83%	0.832	S	S	*	*				-153.7	89	123.7	-176.3	0	0	0	0	107.6
19	L	43.3	Very low	35.8	Very low	162 Å²	162	154.3 Å²	154.3	85%	0.848	84%	0.841	S	S	*	*			trans	-114.4	85.9	173.7	-167.3	142.2	0	0	0	105
20	F	37.8	Very low	35.2	Very low	180 Å²	180	159.2 Å²	159.2	79%	0.789	84%	0.843	S	S	*	*	S	Bend	trans	-172.9	14.1	161.8	-128.7	-96.2	0	0	0	118.3
21	F	37.1	Very low	35	Very low	195 Å²	195	164 Å²	164	86%	0.855	85%	0.846	S	S	*	*	S	Bend	trans	-133.8	25.9	-172.2	-116	-83	0	0	0	118.1
22	I	39.5	Very low	35.3	Very low	162 Å²	162	165.2 Å²	165.2	83%	0.831	84%	0.842	S	S	*	*			trans	-137.5	62.7	173.3	-48	178.2	0	0	0	110.2
23	I	39.6	Very low	36.1	Very low	163 Å²	163	169.9 Å²	169.9	84%	0.836	84%	0.844	S	S	*	*	S	Bend	trans	-119.8	6.2	172.1	-68.9	-179.1	0	0	0	112.2
24	L	37.9	Very low	36.9	Very low	169 Å²	169	162.1 Å²	162.1	89%	0.885	83%	0.832	S	S	*	*	S	Bend	trans	-126.1	15.8	-172.8	-91.8	162.5	0	0	0	117.5
25	L	40.5	Very low	38.5	Very low	169 Å²	169	158 Å²	158	89%	0.885	81%	0.808	S	S	*	*	S	Bend	trans	-143.8	68.8	175.1	-88.2	163.4	0	0	0	112.5
26	S	34.2	Very low	41.2	Very low	118 Å²	118	158 Å²	158	83%	0.825	79%	0.789	S	S	*	*			trans	-166.9	47.2	156.7	54.7	0	0	0	0	112	Y28	S26-Y28 VanDerWaalsContact C-N 3.27Å; S26-Y28 PolarHBondContact O-N 3.11Å; S26-Y28 VanDerWaalsContact O-N 3.17Å
27	G	36.2	Very low	43.8	Very low	76 Å²	76	148.6 Å²	148.6	78%	0.784	75%	0.748	S	S	*	*			trans	-82.5	70.9	164.1	0	0	0	0	0	110.9
28	Y	33.4	Very low	46.4	Very low	225 Å²	225	143.2 Å²	143.2	88%	0.882	72%	0.715	S	S	*	*			trans	-118	98.8	156	-105	-86	0	0	0	106.9	S26 R30	S26-Y28 VanDerWaalsContact C-N 3.27Å; S26-Y28 PolarHBondContact O-N 3.11Å; S26-Y28 VanDerWaalsContact O-N 3.17Å; Y28-R30 PolarHBondContact O-N 2.81Å
29	Y	31.7	Very low	49.1	Very low	218 Å²	218	136.4 Å²	136.4	86%	0.855	67%	0.674	S	S	*	*			trans	-59.1	103	163	-85.9	-95.6	0	0	0	107.7	W31	Y29-W31 PolarHBondContact O-N 3.33Å
30	R	31.4	Very low	51.4	Low	230 Å²	230	130.4 Å²	130.4	87%	0.868	64%	0.64	S	S	*	*			trans	-69.6	113.1	155.6	-109.7	-179.1	167.9	-171.1	-6.9	105.6	Y28 V32	Y28-R30 PolarHBondContact O-N 2.81Å; R30-V32 PolarHBondContact O-N 2.92Å; R30-V32 VanDerWaalsContact O-N 3.13Å
31	W	30.1	Very low	53.9	Low	239 Å²	239	122.1 Å²	122.1	91%	0.905	61%	0.606	S	S	*	*			trans	-57.3	115.1	165	-74.9	72.1	0	0	0	107	Y29 E33	Y29-W31 PolarHBondContact O-N 3.33Å; W31-E33 PolarHBondContact O-N 2.91Å
32	V	35.3	Very low	56.4	Low	136 Å²	136	114.9 Å²	114.9	82%	0.824	58%	0.575	S	S	*	*			trans	-75.7	104.5	164.2	175.6	0	0	0	0	104.8	R30 A34	R30-V32 PolarHBondContact O-N 2.92Å; R30-V32 VanDerWaalsContact O-N 3.13Å; V32-A34 PolarHBondContact O-N 3.03Å
33	E	46.3	Very low	58.7	Low	170 Å²	170	109.2 Å²	109.2	79%	0.794	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-57.4	126.6	168.3	-83	177.1	160.8	0	0	108.3	W31 Q35	W31-E33 PolarHBondContact O-N 2.91Å; E33-Q35 PolarHBondContact O-N 3.45Å
34	A	48.1	Very low	61	Low	81 Å²	81	105.5 Å²	105.5	67%	0.669	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-63.6	125.1	175.4	0	0	0	0	0	108.7	V32 H36	V32-A34 PolarHBondContact O-N 3.03Å; A34-H36 PolarHBondContact O-N 3.42Å
35	Q	69.1	Low	63.3	Low	91 Å²	91	103.3 Å²	103.3	43%	0.425	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-59.7	125.2	179.6	-65.5	171.9	-31.1	0	0	110	E33 H130	E33-Q35 PolarHBondContact O-N 3.45Å; Q35-H130 PolarHBondContact NE2-ND1 2.89Å; Q35-H130 PolarHBondContact OE1-CE1 3.48Å; Q35-H130 PolarHBondContact OE1-ND1 3.3Å
36	H	85.3	Confident	65.3	Low	67 Å²	67	95.6 Å²	95.6	31%	0.31	48%	0.476	S	S	.	.			trans	-134.3	165	-175.4	66.5	65.1	0	0	0	111.2	A34 T59 G60 S132	A34-H36 PolarHBondContact O-N 3.42Å; H36-T59 WeakPolarHBondContact CB-O 3.38Å; H36-G60 WeakPolarHBondContact CA-O 3.36Å; H36-G60 WeakPolarHBondContact CB-O 3.32Å; H36-S132 WeakPolarHBondContact CE1-CB 3.38Å; H36-S132 PolarHBondContact N-OG 3Å; H36-S132 WeakPolarHBondContact ND1-CB 3.41Å; H36-S132 WeakPolarHBondContact O-CB 3.25Å; H36-S132 PolarHBondContact O-N 3.03Å; H36-S132 PolarHBondContact O-OG 3.39Å; H36-S132 VanDerWaalsContact O-OG 3.1Å
37	C	90.7	Very high	67.5	Low	0 Å²	0	97.3 Å²	97.3	0%	0	47%	0.471	C	S	.	.			trans	-81.2	167.1	174.3	-55.3	0	0	0	0	111	Y58 T59 G60 C88	C37-Y58 CarbonylContact C-O 3.57Å; C37-Y58 HydrophobicContact CB-CD1 3.74Å; C37-Y58 HydrophobicContact CB-CE1 4.04Å; C37-Y58 VanDerWaalsContact O-O 3.04Å; C37-T59 WeakPolarHBondContact O-CA 3.41Å; C37-G60 PolarHBondContact N-O 3.41Å; C37-C88 WeakPolarHBondContact CA-SG 3.42Å; C37-C88 HydrophobicContact CB-CB 3.63Å; C37-C88 WeakPolarHBondContact CB-SG 3.37Å; C37-C88 WeakPolarHBondContact SG-CA 3.43Å; C37-C88 WeakPolarHBondContact SG-CB 3.42Å; C37-C88 CovalentContact SG-SG 2.03Å; C37-C88 PolarHBondContact SG-SG 3.23Å
38	V	90.2	Very high	69.3	Low	12 Å²	12	100.1 Å²	100.1	7%	0.073	46%	0.462	C	S	.	.	S	Bend	trans	-105.5	-32.5	169.9	179.8	0	0	0	0	110.3	Y58 Q131 M135 A137	V38-Y58 CarbonylContact C-O 3.49Å; V38-Y58 WeakPolarHBondContact CA-O 3.49Å; V38-Y58 PolarHBondContact N-O 2.99Å; V38-Y58 PolarHBondContact O-N 3.37Å; V38-Y58 VanDerWaalsContact O-N 3.1Å; V38-Q131 HydrophobicContact CG2-CG 4.27Å; V38-M135 HydrophobicContact CB-CE 3.36Å; V38-M135 HydrophobicContact CG1-CE 3.65Å; V38-M135 HydrophobicContact CG2-CB 4.34Å; V38-M135 HydrophobicContact CG2-CE 3.71Å; V38-A137 HydrophobicContact CG1-CB 3.62Å
39	W	93.3	Very high	71.4	Confident	2 Å²	2	90 Å²	90	1%	0.008	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	167.3	173.8	59.4	45.1	0	0	0	112.3	N55 C56 Y58 C88 L125 T126 Q131 M135 V145 V148 F207	W39-N55 HydrophobicContact CB-CB 3.84Å; W39-N55 HydrophobicContact CD2-CB 3.64Å; W39-N55 VanDerWaalsContact CE2-ND2 3.29Å; W39-N55 HydrophobicContact CE3-CB 3.69Å; W39-N55 HydrophobicContact CG-CB 3.73Å; W39-N55 WeakPolarHBondContact CZ2-ND2 3.28Å; W39-N55 HydrophobicContact CZ3-CB 4.45Å; W39-N55 WeakPolarHBondContact CZ3-ND2 3.41Å; W39-C56 CarbonylContact C-O 3.52Å; W39-C56 WeakPolarHBondContact CA-O 3.42Å; W39-C56 WeakPolarHBondContact CB-O 3.33Å; W39-Y58 PolarHBondContact N-O 3.46Å; W39-C88 VanDerWaalsContact O-O 3.14Å; W39-L125 HydrophobicContact CH2-CD1 4.39Å; W39-L125 WeakPolarHBondContact CZ2-O 3.18Å; W39-T126 PolarHBondContact NE1-O 3.28Å; W39-Q131 VanDerWaalsContact CE2-NE2 3.28Å; W39-M135 HydrophobicContact CD2-CE 4Å; W39-M135 HydrophobicContact CE3-CE 3.98Å; W39-M135 HydrophobicContact CH2-CE 3.96Å; W39-M135 HydrophobicContact CH2-SD 4.01Å; W39-M135 HydrophobicContact CZ2-CE 3.99Å; W39-M135 HydrophobicContact CZ2-SD 4.19Å; W39-M135 HydrophobicContact CZ3-CE 3.98Å; W39-M135 HydrophobicContact CZ3-SD 4.45Å; W39-V145 HydrophobicContact CB-CG2 4.29Å; W39-V145 HydrophobicContact CE3-CB 4.22Å; W39-V145 HydrophobicContact CE3-CG1 4.04Å; W39-V145 HydrophobicContact CE3-CG2 4.35Å; W39-V145 HydrophobicContact CZ3-CG1 4.28Å; W39-V148 HydrophobicContact CE3-CG2 4.31Å; W39-V148 HydrophobicContact CZ3-CG2 3.66Å; W39-F207 HydrophobicContact CE3-CZ 4.31Å; W39-F207 HydrophobicContact CH2-CE2 4.26Å; W39-F207 AromaticContact CH2-CZ 3.8Å; W39-F207 HydrophobicContact CH2-CZ 3.8Å; W39-F207 AromaticContact CZ3-CE2 3.81Å; W39-F207 HydrophobicContact CZ3-CE2 3.81Å; W39-F207 AromaticContact CZ3-CZ 3.44Å; W39-F207 HydrophobicContact CZ3-CZ 3.44Å; W39-F207 VanDerWaalsContact CZ3-CZ 3.44Å
40	Y	91.9	Very high	73.4	Confident	35 Å²	35	85.1 Å²	85.1	14%	0.137	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	120.6	169.6	-171.3	-89.4	0	0	0	111.1	C56 Y58 R63 C89 D90	Y40-C56 PolarHBondContact N-O 3.02Å; Y40-C56 WeakPolarHBondContact O-CB 3.15Å; Y40-Y58 VanDerWaalsContact CB-CD1 3.45Å; Y40-Y58 HydrophobicContact CG-CD1 4.29Å; Y40-R63 HydrophobicContact CE2-CB 3.79Å; Y40-R63 HydrophobicContact CE2-CG 4.19Å; Y40-C89 WeakPolarHBondContact CE2-O 3.49Å; Y40-D90 HydrophobicContact CE1-CB 4.12Å
41	G	89.8	Confident	75.5	Confident	7 Å²	7	77 Å²	77	7%	0.072	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	82.9	171.1	-177	0	0	0	0	0	114.3	N55 C56 Q93	G41-N55 WeakPolarHBondContact O-CA 3.39Å; G41-C56 PolarHBondContact O-N 2.95Å; G41-Q93 PolarHBondContact O-NE2 3.38Å
42	E	90.6	Very high	78.1	Confident	43 Å²	43	67.8 Å²	67.8	20%	0.201	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135.4	179.7	-55.7	179.4	168.6	0	0	110.9	K53 Y54 Q93 T96	E42-K53 HydrophobicContact CB-CB 4.22Å; E42-K53 HydrophobicContact CB-CD 4.09Å; E42-Y54 WeakPolarHBondContact CA-O 3.36Å; E42-Q93 HydrophobicContact CG-CG 3.6Å; E42-Q93 WeakPolarHBondContact OE1-CA 3.23Å; E42-Q93 PolarHBondContact OE1-N 3.49Å; E42-T96 WeakPolarHBondContact OE1-CB 3.42Å; E42-T96 PolarHBondContact OE1-OG1 3.36Å
43	C	87.4	Confident	80.7	Confident	43 Å²	43	65.7 Å²	65.7	29%	0.291	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-116.5	-175.2	-84.6	0	0	0	0	111.2	Y54 C56 N144	C43-Y54 PolarHBondContact N-O 3.45Å; C43-C56 VanDerWaalsContact CA-SG 3.5Å; C43-C56 HydrophobicContact CB-CB 4.2Å; C43-C56 WeakPolarHBondContact CB-SG 3.44Å; C43-C56 PolarHBondContact N-SG 2.92Å; C43-C56 VanDerWaalsContact SG-CA 3.57Å; C43-C56 WeakPolarHBondContact SG-CB 3.26Å; C43-C56 CovalentContact SG-SG 2.02Å; C43-C56 PolarHBondContact SG-SG 3.29Å; C43-N144 WeakPolarHBondContact CB-OD1 3.19Å
44	D	87.5	Confident	82.8	Confident	84 Å²	84	58 Å²	58	45%	0.449	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	164.2	-176.5	-63.4	-39.2	0	0	0	112	K53 Y54 N144	D44-K53 CarbonylContact O-C 3.01Å; D44-K53 WeakPolarHBondContact O-CA 3.49Å; D44-Y54 PolarHBondContact O-N 2.89Å; D44-N144 PolarHBondContact N-OD1 3.13Å; D44-N144 PolarHBondContact OD2-ND2 3.02Å
45	E	85.7	Confident	84.9	Confident	124 Å²	124	55 Å²	55	58%	0.579	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	150.1	173.4	-72.8	-173.1	-179.6	0	0	112.2	E47 K52 K53 Y54	E45-E47 PolarHBondContact O-N 3.06Å; E45-K52 CarbonylContact C-O 3.56Å; E45-K52 WeakPolarHBondContact CA-O 3.46Å; E45-K53 HydrophobicContact CG-CG 4.18Å; E45-Y54 VanDerWaalsContact O-CE2 3.3Å; E45-Y54 WeakPolarHBondContact O-CE2 3.35Å
46	S	83.1	Confident	85.9	Confident	6 Å²	6	51.8 Å²	51.8	4%	0.042	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-70	125.3	176.7	177.2	0	0	0	0	111	K48 V49 K52 Y54 P206	S46-K48 PolarHBondContact O-N 3.01Å; S46-K48 PolarHBondContact OG-N 3.47Å; S46-V49 WeakPolarHBondContact CB-O 3.23Å; S46-V49 PolarHBondContact OG-N 3.15Å; S46-V49 VanDerWaalsContact OG-N 3.13Å; S46-K52 PolarHBondContact N-O 3.16Å; S46-Y54 VanDerWaalsContact CA-CE2 3.47Å; S46-Y54 PolarHBondContact OG-OH 3.45Å; S46-P206 WeakPolarHBondContact CB-O 3.34Å; S46-P206 PolarHBondContact OG-O 3.43Å
47	E	80.8	Confident	86.2	Confident	155 Å²	155	51.6 Å²	51.6	72%	0.724	28%	0.277	S	S	*	.	S	Bend	trans	-68.6	-25.7	174.8	-60.8	-168.4	164.1	0	0	111.8	E45 Y54	E45-E47 PolarHBondContact O-N 3.06Å; E47-Y54 PolarHBondContact N-OH 3.07Å; E47-Y54 VanDerWaalsContact N-OH 3.16Å
48	K	74.6	Confident	86.2	Confident	134 Å²	134	53.9 Å²	53.9	58%	0.583	29%	0.286	S	S	*	.	S	Bend	trans	-88.3	-35.7	-178.6	-70.5	-171	174.1	-171.3	0	113.3	S46 T200	S46-K48 PolarHBondContact O-N 3.01Å; S46-K48 PolarHBondContact OG-N 3.47Å; K48-T200 HydrophobicContact CD-CG2 4.34Å
49	V	77.6	Confident	86	Confident	12 Å²	12	57.9 Å²	57.9	7%	0.073	31%	0.311	C	S	.	.	S	Bend	trans	-127.1	95.2	-176.4	-173.5	0	0	0	0	109.3	S46 G51 K52 G203 T205	S46-V49 WeakPolarHBondContact CB-O 3.23Å; S46-V49 PolarHBondContact OG-N 3.15Å; S46-V49 VanDerWaalsContact OG-N 3.13Å; V49-G51 PolarHBondContact O-N 3.38Å; V49-K52 HydrophobicContact CB-CG 4.37Å; V49-K52 HydrophobicContact CG1-CB 4.41Å; V49-K52 HydrophobicContact CG1-CG 3.7Å; V49-K52 PolarHBondContact O-N 2.95Å; V49-G203 WeakPolarHBondContact CG1-O 3.33Å; V49-T205 WeakPolarHBondContact CG2-O 3.32Å
50	P	73.7	Confident	85.8	Confident	117 Å²	117	58.9 Å²	58.9	76%	0.76	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	137.3	-175.2	-24.6	33	0	0	0	112.8	K52	P50-K52 VanDerWaalsContact C-N 3.3Å; P50-K52 PolarHBondContact O-N 3.05Å
51	G	75.4	Confident	85.6	Confident	59 Å²	59	61.1 Å²	61.1	61%	0.608	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	0.9	178.8	0	0	0	0	0	115.5	V49	V49-G51 PolarHBondContact O-N 3.38Å
52	K	84.6	Confident	85.6	Confident	45 Å²	45	62.1 Å²	62.1	20%	0.196	35%	0.347	C	S	.	.			trans	-104.1	158.7	167.1	-54.6	-70.5	-170.8	166.6	0	109.8	E45 S46 V49 P50 Q204 P206	E45-K52 CarbonylContact C-O 3.56Å; E45-K52 WeakPolarHBondContact CA-O 3.46Å; S46-K52 PolarHBondContact N-O 3.16Å; V49-K52 HydrophobicContact CB-CG 4.37Å; V49-K52 HydrophobicContact CG1-CB 4.41Å; V49-K52 HydrophobicContact CG1-CG 3.7Å; V49-K52 PolarHBondContact O-N 2.95Å; P50-K52 VanDerWaalsContact C-N 3.3Å; P50-K52 PolarHBondContact O-N 3.05Å; K52-Q204 WeakPolarHBondContact CE-O 3.42Å; K52-P206 HydrophobicContact CB-CB 3.81Å
53	K	88.3	Confident	85.6	Confident	92 Å²	92	65.2 Å²	65.2	40%	0.4	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	151.3	-176.7	-66.1	-177.1	-179.6	-179.5	0	113	E42 D44 E45 P206	E42-K53 HydrophobicContact CB-CB 4.22Å; E42-K53 HydrophobicContact CB-CD 4.09Å; D44-K53 CarbonylContact O-C 3.01Å; D44-K53 WeakPolarHBondContact O-CA 3.49Å; E45-K53 HydrophobicContact CG-CG 4.18Å; K53-P206 WeakPolarHBondContact O-CB 3.49Å
54	Y	90.8	Very high	85.6	Confident	9 Å²	9	67.2 Å²	67.2	4%	0.035	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	152	167.9	-63.3	-65.1	0	0	0	111	E42 C43 D44 E45 S46 E47 N144 V146 F207	E42-Y54 WeakPolarHBondContact CA-O 3.36Å; C43-Y54 PolarHBondContact N-O 3.45Å; D44-Y54 PolarHBondContact O-N 2.89Å; E45-Y54 VanDerWaalsContact O-CE2 3.3Å; E45-Y54 WeakPolarHBondContact O-CE2 3.35Å; S46-Y54 VanDerWaalsContact CA-CE2 3.47Å; S46-Y54 PolarHBondContact OG-OH 3.45Å; E47-Y54 PolarHBondContact N-OH 3.07Å; E47-Y54 VanDerWaalsContact N-OH 3.16Å; Y54-N144 HydrophobicContact CD2-CB 4.02Å; Y54-N144 HydrophobicContact CG-CB 4.05Å; Y54-V146 HydrophobicContact CE1-CG1 4.33Å; Y54-V146 HydrophobicContact CE1-CG2 4.47Å; Y54-F207 HydrophobicContact CD1-CB 3.87Å; Y54-F207 AromaticContact CD1-CD1 3.83Å; Y54-F207 HydrophobicContact CD1-CD1 3.83Å; Y54-F207 HydrophobicContact CD1-CG 4.17Å; Y54-F207 HydrophobicContact CE1-CB 3.69Å; Y54-F207 HydrophobicContact CE1-CD1 4.48Å; Y54-F207 HydrophobicContact CE1-CG 4.48Å
55	N	92	Very high	85.7	Confident	18 Å²	18	63.4 Å²	63.4	10%	0.096	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	145.7	170.2	-67.6	-40.2	0	0	0	110.5	W39 G41 Q93 V145	W39-N55 HydrophobicContact CB-CB 3.84Å; W39-N55 HydrophobicContact CD2-CB 3.64Å; W39-N55 VanDerWaalsContact CE2-ND2 3.29Å; W39-N55 HydrophobicContact CE3-CB 3.69Å; W39-N55 HydrophobicContact CG-CB 3.73Å; W39-N55 WeakPolarHBondContact CZ2-ND2 3.28Å; W39-N55 HydrophobicContact CZ3-CB 4.45Å; W39-N55 WeakPolarHBondContact CZ3-ND2 3.41Å; G41-N55 WeakPolarHBondContact O-CA 3.39Å; N55-Q93 PolarHBondContact OD1-NE2 2.99Å; N55-V145 PolarHBondContact O-N 3.3Å
56	C	91.8	Very high	85.9	Confident	23 Å²	23	62.8 Å²	62.8	16%	0.155	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	132.8	177.7	-54.1	0	0	0	0	111.6	W39 Y40 G41 C43 Y58 D143	W39-C56 CarbonylContact C-O 3.52Å; W39-C56 WeakPolarHBondContact CA-O 3.42Å; W39-C56 WeakPolarHBondContact CB-O 3.33Å; Y40-C56 PolarHBondContact N-O 3.02Å; Y40-C56 WeakPolarHBondContact O-CB 3.15Å; G41-C56 PolarHBondContact O-N 2.95Å; C43-C56 VanDerWaalsContact CA-SG 3.5Å; C43-C56 HydrophobicContact CB-CB 4.2Å; C43-C56 WeakPolarHBondContact CB-SG 3.44Å; C43-C56 PolarHBondContact N-SG 2.92Å; C43-C56 VanDerWaalsContact SG-CA 3.57Å; C43-C56 WeakPolarHBondContact SG-CB 3.26Å; C43-C56 CovalentContact SG-SG 2.02Å; C43-C56 PolarHBondContact SG-SG 3.29Å; C56-Y58 PolarHBondContact O-N 3.48Å; C56-D143 CarbonylContact C-O 3.55Å; C56-D143 WeakPolarHBondContact CA-O 3.42Å
57	N	91.5	Very high	85.9	Confident	63 Å²	63	67 Å²	67	34%	0.337	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	124.7	175.5	-176.9	11.5	0	0	0	111.1	F140 D143 V145	N57-F140 HydrophobicContact CB-CD1 4.04Å; N57-F140 HydrophobicContact CB-CE1 4.01Å; N57-F140 VanDerWaalsContact CG-CE1 3.46Å; N57-D143 WeakPolarHBondContact CB-O 3.31Å; N57-D143 PolarHBondContact N-O 3.41Å; N57-V145 HydrophobicContact CB-CG2 4.19Å
58	Y	90.4	Very high	85.9	Confident	49 Å²	49	66.2 Å²	66.2	19%	0.192	37%	0.369	C	S	.	.			trans	-155.2	114.7	178.7	172.7	-100.8	0	0	0	111	C37 V38 W39 Y40 C56 G60 S61 R63	C37-Y58 CarbonylContact C-O 3.57Å; C37-Y58 HydrophobicContact CB-CD1 3.74Å; C37-Y58 HydrophobicContact CB-CE1 4.04Å; C37-Y58 VanDerWaalsContact O-O 3.04Å; V38-Y58 CarbonylContact C-O 3.49Å; V38-Y58 WeakPolarHBondContact CA-O 3.49Å; V38-Y58 PolarHBondContact N-O 2.99Å; V38-Y58 PolarHBondContact O-N 3.37Å; V38-Y58 VanDerWaalsContact O-N 3.1Å; W39-Y58 PolarHBondContact N-O 3.46Å; Y40-Y58 VanDerWaalsContact CB-CD1 3.45Å; Y40-Y58 HydrophobicContact CG-CD1 4.29Å; C56-Y58 PolarHBondContact O-N 3.48Å; Y58-G60 VanDerWaalsContact CZ-CA 3.41Å; Y58-S61 PolarHBondContact OH-O 2.93Å; Y58-R63 PolarHBondContact OH-NE 2.95Å
59	T	86.2	Confident	86.2	Confident	96 Å²	96	59.9 Å²	59.9	59%	0.589	34%	0.341	S	S	*	.			trans	-103.9	20.2	-178.3	53.9	0	0	0	0	113.8	H36 C37	H36-T59 WeakPolarHBondContact CB-O 3.38Å; C37-T59 WeakPolarHBondContact O-CA 3.41Å
60	G	87.8	Confident	86.5	Confident	23 Å²	23	62.8 Å²	62.8	24%	0.237	35%	0.351	C	S	.	.	S	Bend	trans	-87	-178.6	179.3	0	0	0	0	0	113.7	H36 C37 Y58	H36-G60 WeakPolarHBondContact CA-O 3.36Å; H36-G60 WeakPolarHBondContact CB-O 3.32Å; C37-G60 PolarHBondContact N-O 3.41Å; Y58-G60 VanDerWaalsContact CZ-CA 3.41Å
61	S	89.3	Confident	86.8	Confident	81 Å²	81	64.1 Å²	64.1	57%	0.566	35%	0.347	S	S	*	.			trans	-70.1	155.6	176.3	63.1	0	0	0	0	112	Y58	Y58-S61 PolarHBondContact OH-O 2.93Å
62	P	89.9	Confident	87.1	Confident	28 Å²	28	62.2 Å²	62.2	18%	0.182	32%	0.323	C	S	.	.			trans	-53.7	140.7	175.2	-24.6	33.2	0	0	0	112.6	P129	P62-P129 HydrophobicContact CB-CB 4.36Å; P62-P129 HydrophobicContact CG-CB 4.06Å; P62-P129 WeakPolarHBondContact CG-O 3.32Å
63	R	89.2	Confident	87.1	Confident	109 Å²	109	60 Å²	60	41%	0.411	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	143.5	-176.2	-66.8	-177.1	175.4	-168.2	1.7	111.2	Y40 Y58 L65 S86 L87	Y40-R63 HydrophobicContact CE2-CB 3.79Å; Y40-R63 HydrophobicContact CE2-CG 4.19Å; Y58-R63 PolarHBondContact OH-NE 2.95Å; R63-L65 PolarHBondContact O-N 2.99Å; R63-S86 CarbonylContact O-C 3.58Å; R63-S86 WeakPolarHBondContact O-CA 3.36Å; R63-L87 PolarHBondContact N-O 3.42Å; R63-L87 PolarHBondContact O-N 2.9Å
64	P	88.6	Confident	86.8	Confident	85 Å²	85	58.9 Å²	58.9	55%	0.552	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	128.5	175.5	27.2	-33	0	0	0	110.6
65	L	89.4	Confident	86.2	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.021	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-65.7	141.8	179.3	-171.1	66.2	0	0	0	111.4	R63 Y70 L73 R85 L87 L94	R63-L65 PolarHBondContact O-N 2.99Å; L65-Y70 HydrophobicContact CB-CE1 4.21Å; L65-Y70 HydrophobicContact CD2-CD1 4.23Å; L65-Y70 HydrophobicContact CG-CD1 4.44Å; L65-Y70 HydrophobicContact CG-CE1 4.49Å; L65-Y70 WeakPolarHBondContact O-CE1 3.35Å; L65-Y70 PolarHBondContact O-OH 3.49Å; L65-L73 HydrophobicContact CD2-CB 3.83Å; L65-L73 HydrophobicContact CD2-CD2 3.86Å; L65-L73 HydrophobicContact CD2-CG 4.29Å; L65-R85 HydrophobicContact CB-CB 4.4Å; L65-R85 PolarHBondContact N-O 3.04Å; L65-L87 HydrophobicContact CB-CD1 4.44Å; L65-L87 HydrophobicContact CD2-CD1 4.29Å; L65-L94 HydrophobicContact CD1-CD1 4.09Å; L65-L94 HydrophobicContact CD2-CD1 3.8Å
66	K	88.3	Confident	85.7	Confident	110 Å²	110	59.6 Å²	59.6	48%	0.478	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-69.6	153.1	175.6	-63.7	-175.2	-162.4	155	0	111.4	E68 G69 Y70 E91	K66-E68 PolarHBondContact O-N 3.02Å; K66-E68 VanDerWaalsContact O-N 3.15Å; K66-G69 PolarHBondContact O-N 2.84Å; K66-Y70 WeakPolarHBondContact O-CD1 3.49Å; K66-Y70 WeakPolarHBondContact O-CE1 3.43Å; K66-E91 WeakPolarHBondContact CD-OE1 3.33Å; K66-E91 WeakPolarHBondContact CE-OE1 3.3Å; K66-E91 IonicContact NZ-OE1 2.65Å; K66-E91 PolarHBondContact NZ-OE1 3.42Å; K66-E91 IonicContact NZ-OE2 3.96Å
67	P	83.6	Confident	85.4	Confident	96 Å²	96	58.7 Å²	58.7	62%	0.623	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-55.4	-33.2	-179.3	-27.3	35.3	0	0	0	115	G69 Y70	P67-G69 PolarHBondContact O-N 3.46Å; P67-Y70 HydrophobicContact CB-CD2 4.34Å; P67-Y70 HydrophobicContact CB-CE2 4.11Å; P67-Y70 HydrophobicContact CG-CE2 4.35Å; P67-Y70 WeakPolarHBondContact O-CB 3.45Å; P67-Y70 PolarHBondContact O-N 2.94Å; P67-Y70 VanDerWaalsContact O-N 3.16Å
68	E	80.4	Confident	84.9	Confident	138 Å²	138	58.8 Å²	58.8	65%	0.645	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-61.9	-22.9	177.6	-63.7	176.4	-163.9	0	0	113.3	K66	K66-E68 PolarHBondContact O-N 3.02Å; K66-E68 VanDerWaalsContact O-N 3.15Å
69	G	81.5	Confident	84.4	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-91.9	-6.3	178.2	0	0	0	0	0	114.7	K66 P67 E71 L72 L73	K66-G69 PolarHBondContact O-N 2.84Å; P67-G69 PolarHBondContact O-N 3.46Å; G69-E71 PolarHBondContact O-N 3.03Å; G69-L72 PolarHBondContact O-N 3.48Å; G69-L73 WeakPolarHBondContact O-CB 3.15Å; G69-L73 PolarHBondContact O-N 3.43Å
70	Y	83.8	Confident	84.3	Confident	74 Å²	74	55.3 Å²	55.3	29%	0.29	31%	0.307	S	S	.	.	H	α-helix	trans	-65.8	-38	-173.4	-68.6	-9.2	0	0	0	113.5	L65 K66 P67 T74 R85	L65-Y70 HydrophobicContact CB-CE1 4.21Å; L65-Y70 HydrophobicContact CD2-CD1 4.23Å; L65-Y70 HydrophobicContact CG-CD1 4.44Å; L65-Y70 HydrophobicContact CG-CE1 4.49Å; L65-Y70 WeakPolarHBondContact O-CE1 3.35Å; L65-Y70 PolarHBondContact O-OH 3.49Å; K66-Y70 WeakPolarHBondContact O-CD1 3.49Å; K66-Y70 WeakPolarHBondContact O-CE1 3.43Å; P67-Y70 HydrophobicContact CB-CD2 4.34Å; P67-Y70 HydrophobicContact CB-CE2 4.11Å; P67-Y70 HydrophobicContact CG-CE2 4.35Å; P67-Y70 WeakPolarHBondContact O-CB 3.45Å; P67-Y70 PolarHBondContact O-N 2.94Å; P67-Y70 VanDerWaalsContact O-N 3.16Å; Y70-T74 WeakPolarHBondContact O-CB 3.42Å; Y70-T74 PolarHBondContact O-N 2.86Å; Y70-T74 PolarHBondContact O-OG1 3.36Å; Y70-R85 VanDerWaalsContact CE1-CD 3.5Å
71	E	79.9	Confident	84	Confident	145 Å²	145	57 Å²	57	68%	0.678	31%	0.31	S	S	*	.	H	α-helix	trans	-66.5	-45.3	177.2	-166.9	174.4	-173.2	0	0	110.7	G69 L73 T74 E75	G69-E71 PolarHBondContact O-N 3.03Å; E71-L73 PolarHBondContact O-N 3.38Å; E71-T74 PolarHBondContact O-N 3.27Å; E71-E75 WeakPolarHBondContact O-CB 3.4Å; E71-E75 PolarHBondContact O-N 2.96Å
72	L	82.4	Confident	83.3	Confident	18 Å²	18	59.9 Å²	59.9	9%	0.094	31%	0.31	C	S	.	.	H	α-helix	trans	-62.2	-40.9	176.6	-65.8	168	0	0	0	112.4	G69 E75 L76 L94 R95 K98	G69-L72 PolarHBondContact O-N 3.48Å; L72-E75 PolarHBondContact O-N 3.11Å; L72-L76 WeakPolarHBondContact O-CB 3.32Å; L72-L76 WeakPolarHBondContact O-CG 3.43Å; L72-L76 PolarHBondContact O-N 2.78Å; L72-L94 HydrophobicContact CB-CB 4.05Å; L72-L94 HydrophobicContact CB-CD1 4.33Å; L72-L94 HydrophobicContact CD1-CB 4.19Å; L72-R95 HydrophobicContact CD1-CG 3.49Å; L72-R95 VanDerWaalsContact CD1-CG 3.49Å; L72-K98 HydrophobicContact CD2-CD 3.89Å
73	L	84.8	Confident	82.6	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-64.9	-41.2	176.6	-176.1	69.1	0	0	0	111.5	L65 G69 E71 E75 C77 R85 L87 L94	L65-L73 HydrophobicContact CD2-CB 3.83Å; L65-L73 HydrophobicContact CD2-CD2 3.86Å; L65-L73 HydrophobicContact CD2-CG 4.29Å; G69-L73 WeakPolarHBondContact O-CB 3.15Å; G69-L73 PolarHBondContact O-N 3.43Å; E71-L73 PolarHBondContact O-N 3.38Å; L73-E75 VanDerWaalsContact C-N 3.29Å; L73-E75 PolarHBondContact O-N 3.14Å; L73-C77 HydrophobicContact CD1-CB 4.17Å; L73-C77 CarbonylContact O-C 3.57Å; L73-C77 WeakPolarHBondContact O-CA 3.41Å; L73-C77 PolarHBondContact O-N 3.49Å; L73-R85 HydrophobicContact CD2-CB 4.4Å; L73-R85 HydrophobicContact CD2-CG 4.29Å; L73-L87 HydrophobicContact CD1-CD1 3.48Å; L73-L87 VanDerWaalsContact CD1-CD1 3.48Å; L73-L87 HydrophobicContact CD2-CD1 3.63Å; L73-L87 HydrophobicContact CG-CD1 4.2Å; L73-L94 HydrophobicContact CB-CD1 4.34Å
74	T	81.8	Confident	82	Confident	67 Å²	67	63.1 Å²	63.1	41%	0.411	35%	0.349	S	S	.	.	H	α-helix	trans	-67	-34.4	178.7	-54.2	0	0	0	0	111.5	Y70 E71 N81	Y70-T74 WeakPolarHBondContact O-CB 3.42Å; Y70-T74 PolarHBondContact O-N 2.86Å; Y70-T74 PolarHBondContact O-OG1 3.36Å; E71-T74 PolarHBondContact O-N 3.27Å; T74-N81 PolarHBondContact OG1-ND2 2.97Å
75	E	77.3	Confident	81.7	Confident	36 Å²	36	62.5 Å²	62.5	17%	0.168	34%	0.336	C	S	.	.	H	α-helix	trans	-73.8	-49.8	178.1	165	169.4	-157.4	0	0	113.1	E71 L72 L73 K98 M987	E71-E75 WeakPolarHBondContact O-CB 3.4Å; E71-E75 PolarHBondContact O-N 2.96Å; L72-E75 PolarHBondContact O-N 3.11Å; L73-E75 VanDerWaalsContact C-N 3.29Å; L73-E75 PolarHBondContact O-N 3.14Å; E75-K98 WeakPolarHBondContact OE1-CE 3.43Å; E75-K98 IonicContact OE1-NZ 3.2Å; E75-K98 PolarHBondContact OE1-NZ 3.35Å; E75-K98 WeakPolarHBondContact OE2-CE 3.28Å; E75-K98 IonicContact OE2-NZ 3.72Å; E75-K98 PolarHBondContact OE2-NZ 2.98Å; E75-M987 HydrophobicContact CB-CE 3.95Å; E75-M987 HydrophobicContact CG-CE 3.43Å; E75-M987 VanDerWaalsContact CG-CE 3.43Å
76	L	81.9	Confident	81.6	Confident	7 Å²	7	64.9 Å²	64.9	4%	0.037	35%	0.353	C	S	.	.	H	α-helix	trans	-85.3	-52.1	-173.8	-63.5	173.2	0	0	0	111.7	L72 P78 L94 L97 K98 M119 C123	L72-L76 WeakPolarHBondContact O-CB 3.32Å; L72-L76 WeakPolarHBondContact O-CG 3.43Å; L72-L76 PolarHBondContact O-N 2.78Å; L76-P78 VanDerWaalsContact C-CD 3.44Å; L76-P78 VanDerWaalsContact O-CD 3.31Å; L76-P78 WeakPolarHBondContact O-CD 3.42Å; L76-L94 HydrophobicContact CD1-CB 4.49Å; L76-L94 HydrophobicContact CD1-CD2 4.09Å; L76-L94 WeakPolarHBondContact CD1-O 3.43Å; L76-L97 HydrophobicContact CD1-CB 4.3Å; L76-L97 HydrophobicContact CD1-CD2 4.19Å; L76-L97 HydrophobicContact CD1-CG 4.25Å; L76-K98 HydrophobicContact CD1-CB 4.08Å; L76-K98 HydrophobicContact CD2-CB 4.15Å; L76-K98 HydrophobicContact CD2-CG 4.39Å; L76-M119 HydrophobicContact CB-SD 4.09Å; L76-M119 HydrophobicContact CD2-CE 3.8Å; L76-M119 HydrophobicContact CD2-SD 4.05Å; L76-M119 WeakPolarHBondContact O-CG 3.27Å; L76-M119 VanDerWaalsContact O-SD 3.35Å; L76-C123 PolarHBondContact O-SG 3.23Å
77	C	86.3	Confident	81.8	Confident	3 Å²	3	59.8 Å²	59.8	2%	0.02	33%	0.331	C	S	.	.			trans	-126.9	64.5	-169.5	-49.4	0	0	0	0	110.7	L73 G79 Y80 C123	L73-C77 HydrophobicContact CD1-CB 4.17Å; L73-C77 CarbonylContact O-C 3.57Å; L73-C77 WeakPolarHBondContact O-CA 3.41Å; L73-C77 PolarHBondContact O-N 3.49Å; C77-G79 PolarHBondContact O-N 2.86Å; C77-G79 VanDerWaalsContact O-N 3.08Å; C77-Y80 HydrophobicContact CB-CD2 3.71Å; C77-Y80 HydrophobicContact CB-CE2 4.31Å; C77-Y80 PolarHBondContact O-N 3.45Å; C77-C123 WeakPolarHBondContact CA-SG 3.15Å; C77-C123 HydrophobicContact CB-CB 3.78Å; C77-C123 WeakPolarHBondContact CB-SG 3.27Å; C77-C123 VanDerWaalsContact SG-CA 3.59Å; C77-C123 WeakPolarHBondContact SG-CB 3.49Å; C77-C123 CovalentContact SG-SG 2.03Å; C77-C123 PolarHBondContact SG-SG 2.94Å
78	P	80	Confident	82.2	Confident	65 Å²	65	55.2 Å²	55.2	42%	0.422	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-58	-29.1	-175.1	23.2	-33.8	0	0	0	112.6	L76 Y80 N81	L76-P78 VanDerWaalsContact C-CD 3.44Å; L76-P78 VanDerWaalsContact O-CD 3.31Å; L76-P78 WeakPolarHBondContact O-CD 3.42Å; P78-Y80 PolarHBondContact O-N 3.41Å; P78-Y80 VanDerWaalsContact O-N 3.1Å; P78-N81 WeakPolarHBondContact O-CB 3.4Å; P78-N81 PolarHBondContact O-N 3.15Å
79	G	80	Confident	82.7	Confident	50 Å²	50	48.7 Å²	48.7	52%	0.515	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-58.7	-18.9	176.2	0	0	0	0	0	114.7	C77 Y82	C77-G79 PolarHBondContact O-N 2.86Å; C77-G79 VanDerWaalsContact O-N 3.08Å; G79-Y82 WeakPolarHBondContact O-CD1 3.27Å; G79-Y82 WeakPolarHBondContact O-CE1 3.29Å
80	Y	84.8	Confident	83.1	Confident	23 Å²	23	49.5 Å²	49.5	9%	0.09	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-102.6	3.2	177.7	-62.8	-43.3	0	0	0	114.6	C77 P78 Y82 L87 C123 E124	C77-Y80 HydrophobicContact CB-CD2 3.71Å; C77-Y80 HydrophobicContact CB-CE2 4.31Å; C77-Y80 PolarHBondContact O-N 3.45Å; P78-Y80 PolarHBondContact O-N 3.41Å; P78-Y80 VanDerWaalsContact O-N 3.1Å; Y80-Y82 HydrophobicContact CD1-CE1 4.39Å; Y80-Y82 PolarHBondContact O-N 2.99Å; Y80-L87 HydrophobicContact CD2-CD2 4.31Å; Y80-L87 HydrophobicContact CG-CD2 4.03Å; Y80-C123 HydrophobicContact CE2-CB 4.05Å; Y80-E124 WeakPolarHBondContact OH-CG 3.26Å; Y80-E124 PolarHBondContact OH-OE1 2.98Å; Y80-E124 PolarHBondContact OH-OE2 3.33Å
81	N	80.3	Confident	83.5	Confident	57 Å²	57	46.6 Å²	46.6	31%	0.305	26%	0.264	S	S	.	.			trans	-82	60	179.2	-168.1	13.5	0	0	0	111.8	T74 P78 R85	T74-N81 PolarHBondContact OG1-ND2 2.97Å; P78-N81 WeakPolarHBondContact O-CB 3.4Å; P78-N81 PolarHBondContact O-N 3.15Å; N81-R85 PolarHBondContact OD1-NE 3.28Å; N81-R85 PolarHBondContact OD1-NH2 3.12Å
82	Y	75.6	Confident	83.9	Confident	143 Å²	143	43.2 Å²	43.2	56%	0.561	25%	0.25	S	S	*	.	S	Bend	trans	-140.2	155.6	177.6	65.2	-92.8	0	0	0	112.1	G79 Y80 R85	G79-Y82 WeakPolarHBondContact O-CD1 3.27Å; G79-Y82 WeakPolarHBondContact O-CE1 3.29Å; Y80-Y82 HydrophobicContact CD1-CE1 4.39Å; Y80-Y82 PolarHBondContact O-N 2.99Å; Y82-R85 PolarHBondContact O-N 3.39Å
83	G	75.6	Confident	84.3	Confident	65 Å²	65	42.9 Å²	42.9	67%	0.67	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	-143.2	178.7	0	0	0	0	0	114.3	R85	G83-R85 PolarHBondContact O-N 2.83Å
84	N	74.9	Confident	84.5	Confident	140 Å²	140	42.9 Å²	42.9	75%	0.749	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	7.6	177.7	-83.3	-4.3	0	0	0	113.8	S86	N84-S86 PolarHBondContact O-N 3.5Å
85	R	82.8	Confident	84.7	Confident	72 Å²	72	46.2 Å²	46.2	27%	0.272	25%	0.253	S	S	.	.			trans	50.5	43.8	178.9	-56.4	168.9	-175.2	122.5	2.3	112.4	L65 Y70 L73 N81 Y82 G83 L87	L65-R85 HydrophobicContact CB-CB 4.4Å; L65-R85 PolarHBondContact N-O 3.04Å; Y70-R85 VanDerWaalsContact CE1-CD 3.5Å; L73-R85 HydrophobicContact CD2-CB 4.4Å; L73-R85 HydrophobicContact CD2-CG 4.29Å; N81-R85 PolarHBondContact OD1-NE 3.28Å; N81-R85 PolarHBondContact OD1-NH2 3.12Å; Y82-R85 PolarHBondContact O-N 3.39Å; G83-R85 PolarHBondContact O-N 2.83Å; R85-L87 PolarHBondContact O-N 3.45Å
86	S	88.4	Confident	85.2	Confident	54 Å²	54	47.2 Å²	47.2	38%	0.378	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	108.9	176	-59.1	0	0	0	0	109.3	R63 N84	R63-S86 CarbonylContact O-C 3.58Å; R63-S86 WeakPolarHBondContact O-CA 3.36Å; N84-S86 PolarHBondContact O-N 3.5Å
87	L	90.7	Very high	85.5	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	163.1	-170.7	-63.2	169.2	0	0	0	111.3	R63 L65 L73 Y80 R85 C89 C127	R63-L87 PolarHBondContact N-O 3.42Å; R63-L87 PolarHBondContact O-N 2.9Å; L65-L87 HydrophobicContact CB-CD1 4.44Å; L65-L87 HydrophobicContact CD2-CD1 4.29Å; L73-L87 HydrophobicContact CD1-CD1 3.48Å; L73-L87 VanDerWaalsContact CD1-CD1 3.48Å; L73-L87 HydrophobicContact CD2-CD1 3.63Å; L73-L87 HydrophobicContact CG-CD1 4.2Å; Y80-L87 HydrophobicContact CD2-CD2 4.31Å; Y80-L87 HydrophobicContact CG-CD2 4.03Å; R85-L87 PolarHBondContact O-N 3.45Å; L87-C89 VanDerWaalsContact C-N 3.29Å; L87-C127 WeakPolarHBondContact CD2-O 3.2Å
88	C	92.3	Very high	85.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.277	C	S	.	.	S	Bend	trans	-92.3	18.9	176.2	-68.9	0	0	0	0	113.4	C37 W39 C127 S128 Q131	C37-C88 WeakPolarHBondContact CA-SG 3.42Å; C37-C88 HydrophobicContact CB-CB 3.63Å; C37-C88 WeakPolarHBondContact CB-SG 3.37Å; C37-C88 WeakPolarHBondContact SG-CA 3.43Å; C37-C88 WeakPolarHBondContact SG-CB 3.42Å; C37-C88 CovalentContact SG-SG 2.03Å; C37-C88 PolarHBondContact SG-SG 3.23Å; W39-C88 VanDerWaalsContact O-O 3.14Å; C88-C127 PolarHBondContact N-O 3.25Å; C88-C127 VanDerWaalsContact N-O 3.14Å; C88-S128 WeakPolarHBondContact CB-O 3.06Å; C88-S128 PolarHBondContact SG-O 3.44Å; C88-Q131 HydrophobicContact CB-CB 4.44Å
89	C	91.4	Very high	85.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.278	C	S	.	.			trans	-135.5	161.6	177.3	69.1	0	0	0	0	113.2	Y40 L87 Q93 C127	Y40-C89 WeakPolarHBondContact CE2-O 3.49Å; L87-C89 VanDerWaalsContact C-N 3.29Å; C89-Q93 HydrophobicContact CB-CB 4.3Å; C89-C127 HydrophobicContact CB-CB 3.9Å; C89-C127 WeakPolarHBondContact CB-SG 3.44Å; C89-C127 VanDerWaalsContact SG-CA 3.58Å; C89-C127 WeakPolarHBondContact SG-CB 3.44Å; C89-C127 CovalentContact SG-SG 2.03Å; C89-C127 PolarHBondContact SG-SG 3.49Å
90	D	91.2	Very high	85.3	Confident	17 Å²	17	49 Å²	49	9%	0.091	27%	0.266	C	S	.	.			trans	-108.9	177.1	175	81.5	-9.8	0	0	0	113.1	Y40 N92 Q93 L94	Y40-D90 HydrophobicContact CE1-CB 4.12Å; D90-N92 VanDerWaalsContact C-N 3.26Å; D90-N92 PolarHBondContact O-N 3.32Å; D90-N92 PolarHBondContact OD1-N 2.9Å; D90-N92 VanDerWaalsContact OD1-N 3.08Å; D90-N92 PolarHBondContact OD2-ND2 2.91Å; D90-Q93 VanDerWaalsContact N-OE1 3.07Å; D90-Q93 PolarHBondContact O-N 2.86Å; D90-Q93 WeakPolarHBondContact OD1-CB 3.44Å; D90-Q93 VanDerWaalsContact OD1-CG 3.28Å; D90-Q93 WeakPolarHBondContact OD1-CG 3.24Å; D90-Q93 PolarHBondContact OD1-N 3.5Å; D90-L94 PolarHBondContact O-N 3.31Å
91	E	90.2	Very high	85.2	Confident	13 Å²	13	48.2 Å²	48.2	6%	0.061	26%	0.263	C	S	.	.	H	α-helix	trans	-63.3	-27.6	178.9	60.6	-84	-171.3	0	0	114.2	K66 R95	K66-E91 WeakPolarHBondContact CD-OE1 3.33Å; K66-E91 WeakPolarHBondContact CE-OE1 3.3Å; K66-E91 IonicContact NZ-OE1 2.65Å; K66-E91 PolarHBondContact NZ-OE1 3.42Å; K66-E91 IonicContact NZ-OE2 3.96Å; E91-R95 WeakPolarHBondContact O-CG 3.29Å; E91-R95 PolarHBondContact O-N 3.01Å
92	N	89.5	Confident	84.9	Confident	74 Å²	74	47.4 Å²	47.4	40%	0.396	26%	0.258	S	S	.	.	H	α-helix	trans	-75.5	-45.6	-179.9	-64.7	-47.1	0	0	0	110.4	D90 L94 R95 T96	D90-N92 VanDerWaalsContact C-N 3.26Å; D90-N92 PolarHBondContact O-N 3.32Å; D90-N92 PolarHBondContact OD1-N 2.9Å; D90-N92 VanDerWaalsContact OD1-N 3.08Å; D90-N92 PolarHBondContact OD2-ND2 2.91Å; N92-L94 VanDerWaalsContact C-N 3.26Å; N92-L94 PolarHBondContact O-N 2.94Å; N92-R95 WeakPolarHBondContact O-CB 3.38Å; N92-R95 PolarHBondContact O-N 3.13Å; N92-T96 PolarHBondContact O-N 2.92Å; N92-T96 PolarHBondContact O-OG1 3.29Å
93	Q	90.8	Very high	84.8	Confident	12 Å²	12	44.1 Å²	44.1	6%	0.056	25%	0.249	C	C	.	.	H	α-helix	trans	-57.6	-39.7	174.9	-70.3	177.5	-59.6	0	0	111.6	G41 E42 N55 C89 D90 T96 L97	G41-Q93 PolarHBondContact O-NE2 3.38Å; E42-Q93 HydrophobicContact CG-CG 3.6Å; E42-Q93 WeakPolarHBondContact OE1-CA 3.23Å; E42-Q93 PolarHBondContact OE1-N 3.49Å; N55-Q93 PolarHBondContact OD1-NE2 2.99Å; C89-Q93 HydrophobicContact CB-CB 4.3Å; D90-Q93 VanDerWaalsContact N-OE1 3.07Å; D90-Q93 PolarHBondContact O-N 2.86Å; D90-Q93 WeakPolarHBondContact OD1-CB 3.44Å; D90-Q93 VanDerWaalsContact OD1-CG 3.28Å; D90-Q93 WeakPolarHBondContact OD1-CG 3.24Å; D90-Q93 PolarHBondContact OD1-N 3.5Å; Q93-T96 PolarHBondContact O-N 3.41Å; Q93-L97 VanDerWaalsContact O-CB 3.28Å; Q93-L97 WeakPolarHBondContact O-CB 3.33Å; Q93-L97 PolarHBondContact O-N 3.04Å
94	L	89	Confident	85	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.4	-39.4	174.5	-73	172.3	0	0	0	112.8	L65 L72 L73 L76 D90 N92 L97 K98 C127	L65-L94 HydrophobicContact CD1-CD1 4.09Å; L65-L94 HydrophobicContact CD2-CD1 3.8Å; L72-L94 HydrophobicContact CB-CB 4.05Å; L72-L94 HydrophobicContact CB-CD1 4.33Å; L72-L94 HydrophobicContact CD1-CB 4.19Å; L73-L94 HydrophobicContact CB-CD1 4.34Å; L76-L94 HydrophobicContact CD1-CB 4.49Å; L76-L94 HydrophobicContact CD1-CD2 4.09Å; L76-L94 WeakPolarHBondContact CD1-O 3.43Å; D90-L94 PolarHBondContact O-N 3.31Å; N92-L94 VanDerWaalsContact C-N 3.26Å; N92-L94 PolarHBondContact O-N 2.94Å; L94-L97 PolarHBondContact O-N 2.89Å; L94-K98 PolarHBondContact O-N 3.16Å; L94-C127 VanDerWaalsContact CD2-SG 3.52Å
95	R	86.7	Confident	85.1	Confident	137 Å²	137	36.3 Å²	36.3	52%	0.517	19%	0.193	S	C	.	.	H	α-helix	trans	-65.2	-42.7	174.7	-72.6	178.9	-167.5	-96.5	0.7	111.5	L72 E91 N92 K98 G99	L72-R95 HydrophobicContact CD1-CG 3.49Å; L72-R95 VanDerWaalsContact CD1-CG 3.49Å; E91-R95 WeakPolarHBondContact O-CG 3.29Å; E91-R95 PolarHBondContact O-N 3.01Å; N92-R95 WeakPolarHBondContact O-CB 3.38Å; N92-R95 PolarHBondContact O-N 3.13Å; R95-K98 PolarHBondContact O-N 3.28Å; R95-G99 PolarHBondContact O-N 2.95Å
96	T	87.8	Confident	84.5	Confident	57 Å²	57	33 Å²	33	35%	0.35	18%	0.181	S	C	.	.	H	α-helix	trans	-64.2	-42.9	177	-61.9	0	0	0	0	111	E42 N92 Q93 K98 G99 S100	E42-T96 WeakPolarHBondContact OE1-CB 3.42Å; E42-T96 PolarHBondContact OE1-OG1 3.36Å; N92-T96 PolarHBondContact O-N 2.92Å; N92-T96 PolarHBondContact O-OG1 3.29Å; Q93-T96 PolarHBondContact O-N 3.41Å; T96-K98 PolarHBondContact O-N 2.98Å; T96-G99 PolarHBondContact O-N 3.18Å; T96-S100 PolarHBondContact O-N 3.42Å; T96-S100 PolarHBondContact O-OG 3.31Å
97	L	88.1	Confident	83.9	Confident	14 Å²	14	31.9 Å²	31.9	7%	0.073	17%	0.17	C	C	.	.	H	α-helix	trans	-60.6	-45.5	175.8	-179.5	59.8	0	0	0	111.6	L76 Q93 L94 G99 S100 L101 F122	L76-L97 HydrophobicContact CD1-CB 4.3Å; L76-L97 HydrophobicContact CD1-CD2 4.19Å; L76-L97 HydrophobicContact CD1-CG 4.25Å; Q93-L97 VanDerWaalsContact O-CB 3.28Å; Q93-L97 WeakPolarHBondContact O-CB 3.33Å; Q93-L97 PolarHBondContact O-N 3.04Å; L94-L97 PolarHBondContact O-N 2.89Å; L97-G99 VanDerWaalsContact C-N 3.33Å; L97-G99 PolarHBondContact O-N 2.9Å; L97-S100 PolarHBondContact O-N 3.35Å; L97-L101 HydrophobicContact CD1-CD1 3.74Å; L97-L101 HydrophobicContact CD1-CG 4Å; L97-L101 HydrophobicContact CG-CD1 3.95Å; L97-L101 WeakPolarHBondContact O-CG 3.48Å; L97-L101 PolarHBondContact O-N 3.33Å; L97-F122 HydrophobicContact CD1-CB 3.94Å; L97-F122 HydrophobicContact CD1-CD1 4.45Å; L97-F122 HydrophobicContact CD1-CG 4.37Å
98	K	83.3	Confident	83.6	Confident	67 Å²	67	31.8 Å²	31.8	29%	0.291	17%	0.169	S	C	.	.	H	α-helix	trans	-56.8	-47.2	174.6	-175.3	171.8	177.6	168.3	0	111.8	L72 E75 L76 L94 R95 T96 S100 L101 Q102	L72-K98 HydrophobicContact CD2-CD 3.89Å; E75-K98 WeakPolarHBondContact OE1-CE 3.43Å; E75-K98 IonicContact OE1-NZ 3.2Å; E75-K98 PolarHBondContact OE1-NZ 3.35Å; E75-K98 WeakPolarHBondContact OE2-CE 3.28Å; E75-K98 IonicContact OE2-NZ 3.72Å; E75-K98 PolarHBondContact OE2-NZ 2.98Å; L76-K98 HydrophobicContact CD1-CB 4.08Å; L76-K98 HydrophobicContact CD2-CB 4.15Å; L76-K98 HydrophobicContact CD2-CG 4.39Å; L94-K98 PolarHBondContact O-N 3.16Å; R95-K98 PolarHBondContact O-N 3.28Å; T96-K98 PolarHBondContact O-N 2.98Å; K98-S100 VanDerWaalsContact C-N 3.31Å; K98-S100 PolarHBondContact O-N 3.42Å; K98-L101 PolarHBondContact O-N 3.04Å; K98-Q102 PolarHBondContact O-N 3.06Å
99	G	77.4	Confident	82.9	Confident	43 Å²	43	32.5 Å²	32.5	44%	0.443	17%	0.174	S	C	.	.	H	α-helix	trans	-60.3	-40	178.6	0	0	0	0	0	112.8	R95 T96 L97 Q102	R95-G99 PolarHBondContact O-N 2.95Å; T96-G99 PolarHBondContact O-N 3.18Å; L97-G99 VanDerWaalsContact C-N 3.33Å; L97-G99 PolarHBondContact O-N 2.9Å; G99-Q102 WeakPolarHBondContact O-CB 3.33Å
100	S	81.7	Confident	82.2	Confident	38 Å²	38	32.8 Å²	32.8	27%	0.266	18%	0.175	S	C	.	.	H	α-helix	trans	-73.7	-30.7	179.2	-63	0	0	0	0	113.6	T96 L97 K98	T96-S100 PolarHBondContact O-N 3.42Å; T96-S100 PolarHBondContact O-OG 3.31Å; L97-S100 PolarHBondContact O-N 3.35Å; K98-S100 VanDerWaalsContact C-N 3.31Å; K98-S100 PolarHBondContact O-N 3.42Å
101	L	82.4	Confident	82	Confident	7 Å²	7	32 Å²	32	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-86.6	-4.2	179.9	-69.2	179.2	0	0	0	114.5	L97 K98 L103 P104 L105 M119 F122	L97-L101 HydrophobicContact CD1-CD1 3.74Å; L97-L101 HydrophobicContact CD1-CG 4Å; L97-L101 HydrophobicContact CG-CD1 3.95Å; L97-L101 WeakPolarHBondContact O-CG 3.48Å; L97-L101 PolarHBondContact O-N 3.33Å; K98-L101 PolarHBondContact O-N 3.04Å; L101-L103 PolarHBondContact O-N 3.35Å; L101-P104 WeakPolarHBondContact O-CD 3.33Å; L101-L105 WeakPolarHBondContact O-CB 3.36Å; L101-L105 PolarHBondContact O-N 2.77Å; L101-M119 HydrophobicContact CD1-CE 3.58Å; L101-M119 HydrophobicContact CD1-SD 3.35Å; L101-M119 WeakPolarHBondContact CD1-SD 3.41Å; L101-F122 HydrophobicContact CD1-CB 4.47Å; L101-F122 HydrophobicContact CD2-CD2 3.67Å; L101-F122 HydrophobicContact CD2-CE2 3.82Å; L101-F122 HydrophobicContact CD2-CG 4.28Å
102	Q	73.6	Confident	81.8	Confident	40 Å²	40	32.5 Å²	32.5	19%	0.187	18%	0.175	C	C	.	.	H	α-helix	trans	-61.2	-42.6	-175.4	-170.6	-176.2	-56.3	0	0	113.3	K98 G99 Q106 T960 K1015	K98-Q102 PolarHBondContact O-N 3.06Å; G99-Q102 WeakPolarHBondContact O-CB 3.33Å; Q102-Q106 WeakPolarHBondContact O-CG 3.49Å; Q102-Q106 PolarHBondContact O-N 3.37Å; Q102-T960 VanDerWaalsContact CD-CG2 3.41Å; Q102-T960 HydrophobicContact CG-CG2 3.88Å; Q102-T960 PolarHBondContact NE2-OG1 3.04Å; Q102-T960 VanDerWaalsContact OE1-CG2 3.3Å; Q102-K1015 PolarHBondContact NE2-O 3.26Å
103	L	72.6	Confident	81.8	Confident	73 Å²	73	29.1 Å²	29.1	38%	0.382	16%	0.157	S	C	.	.	H	α-helix	trans	-71.7	-50.1	179.5	-179	72.4	0	0	0	112.1	L101 L105 Q106 F107	L101-L103 PolarHBondContact O-N 3.35Å; L103-L105 PolarHBondContact O-N 3.09Å; L103-Q106 WeakPolarHBondContact O-CB 3.46Å; L103-Q106 PolarHBondContact O-N 3.43Å; L103-F107 HydrophobicContact CD1-CD2 4.34Å; L103-F107 HydrophobicContact CD1-CE2 3.57Å; L103-F107 HydrophobicContact CD1-CZ 4.31Å; L103-F107 HydrophobicContact CG-CD2 4.39Å; L103-F107 HydrophobicContact CG-CE2 3.93Å; L103-F107 WeakPolarHBondContact O-CD2 3.23Å; L103-F107 PolarHBondContact O-N 3.04Å
104	P	79.9	Confident	81.9	Confident	24 Å²	24	28.5 Å²	28.5	16%	0.156	15%	0.154	C	C	.	.	H	α-helix	trans	-54.7	-37.5	172.9	-27.5	33.6	0	0	0	113.5	L101 Q106 F107 L108 L118 L180	L101-P104 WeakPolarHBondContact O-CD 3.33Å; P104-Q106 PolarHBondContact O-N 2.85Å; P104-F107 PolarHBondContact O-N 3.44Å; P104-L108 VanDerWaalsContact O-CB 3.31Å; P104-L108 WeakPolarHBondContact O-CB 3.16Å; P104-L108 WeakPolarHBondContact O-CG 3.41Å; P104-L108 PolarHBondContact O-N 3Å; P104-L118 HydrophobicContact CB-CD2 3.9Å; P104-L180 HydrophobicContact CG-CD2 4.42Å
105	L	78.4	Confident	81.9	Confident	17 Å²	17	29.9 Å²	29.9	9%	0.089	16%	0.16	C	C	.	.	H	α-helix	trans	-60.8	-43.6	175.8	171.8	69.4	0	0	0	112.2	L101 L103 F107 S109 F115 Q958	L101-L105 WeakPolarHBondContact O-CB 3.36Å; L101-L105 PolarHBondContact O-N 2.77Å; L103-L105 PolarHBondContact O-N 3.09Å; L105-F107 VanDerWaalsContact C-N 3.25Å; L105-F107 PolarHBondContact O-N 3.42Å; L105-S109 WeakPolarHBondContact O-CB 3.48Å; L105-S109 PolarHBondContact O-N 3.33Å; L105-S109 PolarHBondContact O-OG 2.95Å; L105-F115 HydrophobicContact CB-CD2 4.31Å; L105-F115 HydrophobicContact CB-CE1 4.41Å; L105-F115 HydrophobicContact CB-CE2 3.5Å; L105-F115 HydrophobicContact CB-CZ 3.56Å; L105-F115 HydrophobicContact CD1-CD1 3.73Å; L105-F115 HydrophobicContact CD1-CD2 4.22Å; L105-F115 HydrophobicContact CD1-CE1 3.32Å; L105-F115 HydrophobicContact CD1-CE2 3.86Å; L105-F115 HydrophobicContact CD1-CG 4.16Å; L105-F115 HydrophobicContact CD1-CZ 3.38Å; L105-F115 HydrophobicContact CG-CE1 4.37Å; L105-F115 HydrophobicContact CG-CE2 4.26Å; L105-F115 HydrophobicContact CG-CZ 3.96Å; L105-Q958 HydrophobicContact CD1-CB 4.03Å; L105-Q958 HydrophobicContact CD2-CB 3.52Å; L105-Q958 WeakPolarHBondContact CD2-O 3.07Å; L105-Q958 HydrophobicContact CG-CB 4.27Å
106	Q	70.2	Confident	82	Confident	4 Å²	4	26.2 Å²	26.2	2%	0.019	15%	0.147	C	C	.	.	H	α-helix	trans	-58.2	-40.2	-179.3	-74.2	172.9	17.2	0	0	111.6	Q102 L103 P104 K1015 K1018	Q102-Q106 WeakPolarHBondContact O-CG 3.49Å; Q102-Q106 PolarHBondContact O-N 3.37Å; L103-Q106 WeakPolarHBondContact O-CB 3.46Å; L103-Q106 PolarHBondContact O-N 3.43Å; P104-Q106 PolarHBondContact O-N 2.85Å; Q106-K1015 PolarHBondContact NE2-O 3.34Å; Q106-K1018 VanDerWaalsContact O-CE 3.24Å; Q106-K1018 WeakPolarHBondContact O-CE 3.45Å; Q106-K1018 PolarHBondContact O-NZ 3.32Å
107	F	75.8	Confident	82.2	Confident	30 Å²	30	23.5 Å²	23.5	13%	0.132	13%	0.13	C	C	.	.	H	α-helix	trans	-83.5	-45.3	-179.7	-62.7	-65.3	0	0	0	113.4	L103 P104 L105 A176 L179 L180	L103-F107 HydrophobicContact CD1-CD2 4.34Å; L103-F107 HydrophobicContact CD1-CE2 3.57Å; L103-F107 HydrophobicContact CD1-CZ 4.31Å; L103-F107 HydrophobicContact CG-CD2 4.39Å; L103-F107 HydrophobicContact CG-CE2 3.93Å; L103-F107 WeakPolarHBondContact O-CD2 3.23Å; L103-F107 PolarHBondContact O-N 3.04Å; P104-F107 PolarHBondContact O-N 3.44Å; L105-F107 VanDerWaalsContact C-N 3.25Å; L105-F107 PolarHBondContact O-N 3.42Å; F107-A176 HydrophobicContact CB-CB 4.14Å; F107-L179 HydrophobicContact CD1-CD1 3.84Å; F107-L179 HydrophobicContact CE1-CD1 3.49Å; F107-L179 VanDerWaalsContact CE1-CD1 3.49Å; F107-L179 HydrophobicContact CE2-CD1 4.32Å; F107-L179 HydrophobicContact CG-CD1 4.41Å; F107-L179 HydrophobicContact CZ-CD1 3.75Å; F107-L180 HydrophobicContact CB-CD1 4.3Å; F107-L180 HydrophobicContact CD2-CD2 4.26Å
108	L	84.1	Confident	82.4	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-87.6	-11.2	-171.3	-59	178.3	0	0	0	113.7	P104 R110 C111 F115 L118 V167 A176 L180 W193	P104-L108 VanDerWaalsContact O-CB 3.31Å; P104-L108 WeakPolarHBondContact O-CB 3.16Å; P104-L108 WeakPolarHBondContact O-CG 3.41Å; P104-L108 PolarHBondContact O-N 3Å; L108-R110 PolarHBondContact O-N 3.48Å; L108-C111 CarbonylContact O-C 3.59Å; L108-C111 PolarHBondContact O-N 3.33Å; L108-F115 HydrophobicContact CB-CB 4.23Å; L108-F115 HydrophobicContact CB-CD2 4.21Å; L108-L118 HydrophobicContact CD1-CD2 3.59Å; L108-V167 HydrophobicContact CD2-CB 4.39Å; L108-V167 HydrophobicContact CD2-CG1 4.35Å; L108-A176 HydrophobicContact CD2-CB 3.93Å; L108-L180 HydrophobicContact CD1-CD1 3.7Å; L108-L180 HydrophobicContact CD2-CD1 3.93Å; L108-L180 HydrophobicContact CG-CD1 3.65Å; L108-W193 HydrophobicContact CD1-CZ2 4.36Å
109	S	76.3	Confident	82.7	Confident	15 Å²	15	20.3 Å²	20.3	11%	0.105	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-7.8	177.6	62.1	0	0	0	0	114.7	L105 C111 K956	L105-S109 WeakPolarHBondContact O-CB 3.48Å; L105-S109 PolarHBondContact O-N 3.33Å; L105-S109 PolarHBondContact O-OG 2.95Å; S109-C111 VanDerWaalsContact C-N 3.27Å; S109-K956 PolarHBondContact O-NZ 3.27Å
110	R	77.4	Confident	83.3	Confident	7 Å²	7	19.1 Å²	19.1	3%	0.026	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-32.2	168.2	-65.4	-173.6	68.2	79	-3.4	112.3	L108 V167 Q168 P170 D246 V917 D953	L108-R110 PolarHBondContact O-N 3.48Å; R110-V167 HydrophobicContact CB-CG1 4.13Å; R110-Q168 WeakPolarHBondContact CD-O 3.42Å; R110-P170 VanDerWaalsContact CZ-CG 3.42Å; R110-D246 IonicContact CZ-OD2 3.78Å; R110-D246 IonicContact NE-OD1 3.48Å; R110-D246 PolarHBondContact NE-OD1 3.23Å; R110-D246 IonicContact NE-OD2 2.84Å; R110-D246 PolarHBondContact NE-OD2 2.88Å; R110-D246 IonicContact NH2-OD2 2.95Å; R110-V917 WeakPolarHBondContact O-CG2 3.43Å; R110-D953 VanDerWaalsContact CG-OD2 3.26Å; R110-D953 WeakPolarHBondContact CG-OD2 3.19Å; R110-D953 IonicContact NH1-OD2 3.89Å; R110-D953 PolarHBondContact NH1-OD2 3.29Å
111	C	87.1	Confident	83.9	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	-117.5	96.4	175	-179.2	0	0	0	0	109.8	L108 S109 S113 C114 F115 V167 C242 D246	L108-C111 CarbonylContact O-C 3.59Å; L108-C111 PolarHBondContact O-N 3.33Å; S109-C111 VanDerWaalsContact C-N 3.27Å; C111-S113 VanDerWaalsContact C-N 3.31Å; C111-S113 PolarHBondContact O-N 3.45Å; C111-C114 HydrophobicContact CB-CB 3.92Å; C111-C114 WeakPolarHBondContact O-CB 3.46Å; C111-C114 PolarHBondContact O-N 3.39Å; C111-C114 VanDerWaalsContact O-N 3.14Å; C111-F115 PolarHBondContact O-N 2.99Å; C111-V167 HydrophobicContact CB-CG2 3.55Å; C111-C242 WeakPolarHBondContact CA-SG 3.43Å; C111-C242 HydrophobicContact CB-CB 3.86Å; C111-C242 WeakPolarHBondContact CB-SG 3.29Å; C111-C242 WeakPolarHBondContact SG-CB 3.23Å; C111-C242 CovalentContact SG-SG 2.03Å; C111-C242 PolarHBondContact SG-SG 3.42Å; C111-D246 HydrophobicContact CB-CB 4.48Å
112	P	86	Confident	84.4	Confident	24 Å²	24	18.4 Å²	18.4	16%	0.156	9%	0.092	C	C	.	.	H	α-helix	trans	-56.2	-40	-174.6	-28.2	34.3	0	0	0	114	F115 Y116 L235 V917	P112-F115 PolarHBondContact O-N 3.26Å; P112-Y116 VanDerWaalsContact O-CB 3.25Å; P112-Y116 WeakPolarHBondContact O-CB 3.41Å; P112-Y116 PolarHBondContact O-N 2.86Å; P112-L235 HydrophobicContact CB-CD1 3.61Å; P112-L235 HydrophobicContact CB-CG 4.3Å; P112-V917 HydrophobicContact CG-CG2 4.32Å
113	S	89.6	Confident	85.2	Confident	2 Å²	2	16.6 Å²	16.6	1%	0.014	8%	0.083	C	C	.	.	H	α-helix	trans	-66.3	-37.5	179	47.8	0	0	0	0	112.8	C111 N117 A230 C231 C242	C111-S113 VanDerWaalsContact C-N 3.31Å; C111-S113 PolarHBondContact O-N 3.45Å; S113-N117 PolarHBondContact O-N 3.28Å; S113-N117 PolarHBondContact O-ND2 3.17Å; S113-A230 WeakPolarHBondContact CB-O 3.34Å; S113-A230 PolarHBondContact OG-O 3.27Å; S113-C231 WeakPolarHBondContact OG-CA 3.47Å; S113-C242 PolarHBondContact OG-SG 3.11Å
114	C	91.6	Very high	86.2	Confident	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-57.8	-55.4	171	163.9	0	0	0	0	111.3	C111 Y116 N117 L118 A163 C164 V167	C111-C114 HydrophobicContact CB-CB 3.92Å; C111-C114 WeakPolarHBondContact O-CB 3.46Å; C111-C114 PolarHBondContact O-N 3.39Å; C111-C114 VanDerWaalsContact O-N 3.14Å; C114-Y116 VanDerWaalsContact C-N 3.32Å; C114-Y116 PolarHBondContact O-N 3.42Å; C114-N117 PolarHBondContact O-N 3.21Å; C114-L118 PolarHBondContact O-N 2.87Å; C114-L118 VanDerWaalsContact O-N 3.11Å; C114-A163 WeakPolarHBondContact CB-O 3.45Å; C114-C164 WeakPolarHBondContact CA-SG 3.45Å; C114-C164 HydrophobicContact CB-CB 3.98Å; C114-C164 WeakPolarHBondContact CB-SG 3.46Å; C114-C164 WeakPolarHBondContact SG-CA 2.99Å; C114-C164 WeakPolarHBondContact SG-CB 3.29Å; C114-C164 CovalentContact SG-SG 2.02Å; C114-C164 PolarHBondContact SG-SG 2.81Å; C114-V167 HydrophobicContact CB-CG2 4.4Å
115	F	89	Confident	86.8	Confident	29 Å²	29	12.8 Å²	12.8	13%	0.127	6%	0.062	C	C	.	.	H	α-helix	trans	-65.4	-35.7	-177.5	-175.7	-104.4	0	0	0	112.5	L105 L108 C111 P112 L118 M119	L105-F115 HydrophobicContact CB-CD2 4.31Å; L105-F115 HydrophobicContact CB-CE1 4.41Å; L105-F115 HydrophobicContact CB-CE2 3.5Å; L105-F115 HydrophobicContact CB-CZ 3.56Å; L105-F115 HydrophobicContact CD1-CD1 3.73Å; L105-F115 HydrophobicContact CD1-CD2 4.22Å; L105-F115 HydrophobicContact CD1-CE1 3.32Å; L105-F115 HydrophobicContact CD1-CE2 3.86Å; L105-F115 HydrophobicContact CD1-CG 4.16Å; L105-F115 HydrophobicContact CD1-CZ 3.38Å; L105-F115 HydrophobicContact CG-CE1 4.37Å; L105-F115 HydrophobicContact CG-CE2 4.26Å; L105-F115 HydrophobicContact CG-CZ 3.96Å; L108-F115 HydrophobicContact CB-CB 4.23Å; L108-F115 HydrophobicContact CB-CD2 4.21Å; C111-F115 PolarHBondContact O-N 2.99Å; P112-F115 PolarHBondContact O-N 3.26Å; F115-L118 HydrophobicContact CD2-CD2 4.3Å; F115-L118 HydrophobicContact CE2-CD2 4.48Å; F115-L118 PolarHBondContact O-N 2.92Å; F115-M119 HydrophobicContact CE1-CE 3.47Å; F115-M119 VanDerWaalsContact CE1-CE 3.47Å; F115-M119 HydrophobicContact CE2-CE 4.43Å; F115-M119 HydrophobicContact CZ-CE 3.36Å; F115-M119 WeakPolarHBondContact O-CB 3.14Å; F115-M119 PolarHBondContact O-N 2.95Å
116	Y	89.6	Confident	87.4	Confident	59 Å²	59	13 Å²	13	23%	0.231	6%	0.064	C	C	.	.	H	α-helix	trans	-61.9	-44.9	175.1	178.9	-91.9	0	0	0	112.2	P112 C114 L118 M119 N120 Y229 L235	P112-Y116 VanDerWaalsContact O-CB 3.25Å; P112-Y116 WeakPolarHBondContact O-CB 3.41Å; P112-Y116 PolarHBondContact O-N 2.86Å; C114-Y116 VanDerWaalsContact C-N 3.32Å; C114-Y116 PolarHBondContact O-N 3.42Å; Y116-L118 VanDerWaalsContact C-N 3.34Å; Y116-L118 PolarHBondContact O-N 3.4Å; Y116-M119 PolarHBondContact O-N 2.95Å; Y116-N120 WeakPolarHBondContact CD1-ND2 3.45Å; Y116-N120 WeakPolarHBondContact CE1-ND2 3Å; Y116-N120 PolarHBondContact O-N 3.45Å; Y116-Y229 AromaticContact CD1-CD2 3.52Å; Y116-Y229 HydrophobicContact CD1-CD2 3.52Å; Y116-Y229 AromaticContact CD1-CE2 3.89Å; Y116-Y229 HydrophobicContact CD1-CE2 3.89Å; Y116-Y229 AromaticContact CE1-CD2 3.39Å; Y116-Y229 HydrophobicContact CE1-CD2 3.39Å; Y116-Y229 AromaticContact CE1-CE2 3.28Å; Y116-Y229 HydrophobicContact CE1-CE2 3.28Å; Y116-Y229 AromaticContact CZ-CE2 3.9Å; Y116-L235 HydrophobicContact CD1-CD2 4.09Å; Y116-L235 HydrophobicContact CD2-CD1 4.48Å; Y116-L235 HydrophobicContact CD2-CD2 4.31Å; Y116-L235 HydrophobicContact CG-CD1 4.44Å; Y116-L235 HydrophobicContact CG-CD2 3.85Å
117	N	91.9	Very high	88.4	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.5	-42.2	176.8	-66.8	-25.9	0	0	0	111.4	S113 C114 N120 L121 M160 T228 Y229	S113-N117 PolarHBondContact O-N 3.28Å; S113-N117 PolarHBondContact O-ND2 3.17Å; C114-N117 PolarHBondContact O-N 3.21Å; N117-N120 PolarHBondContact O-N 2.9Å; N117-L121 PolarHBondContact O-N 2.76Å; N117-M160 HydrophobicContact CB-CB 4.06Å; N117-M160 HydrophobicContact CB-CG 3.87Å; N117-T228 WeakPolarHBondContact OD1-CA 3.26Å; N117-Y229 PolarHBondContact ND2-O 3.31Å; N117-Y229 PolarHBondContact OD1-N 3.46Å
118	L	92.3	Very high	89.1	Confident	1 Å²	1	11.5 Å²	11.5	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-61.2	-45.1	174.2	176.1	66.9	0	0	0	111.9	P104 L108 C114 F115 Y116 N120 L121 F122 M160 W193 M197	P104-L118 HydrophobicContact CB-CD2 3.9Å; L108-L118 HydrophobicContact CD1-CD2 3.59Å; C114-L118 PolarHBondContact O-N 2.87Å; C114-L118 VanDerWaalsContact O-N 3.11Å; F115-L118 HydrophobicContact CD2-CD2 4.3Å; F115-L118 HydrophobicContact CE2-CD2 4.48Å; F115-L118 PolarHBondContact O-N 2.92Å; Y116-L118 VanDerWaalsContact C-N 3.34Å; Y116-L118 PolarHBondContact O-N 3.4Å; L118-N120 VanDerWaalsContact C-N 3.34Å; L118-N120 PolarHBondContact O-N 3.01Å; L118-L121 WeakPolarHBondContact O-CB 3.47Å; L118-L121 PolarHBondContact O-N 3.45Å; L118-F122 HydrophobicContact CD1-CD2 4.24Å; L118-F122 HydrophobicContact CD1-CE2 3.74Å; L118-F122 HydrophobicContact CG-CE2 4.35Å; L118-F122 WeakPolarHBondContact O-CD2 3.15Å; L118-F122 PolarHBondContact O-N 2.71Å; L118-M160 HydrophobicContact CB-CE 3.91Å; L118-M160 HydrophobicContact CD1-CE 3.26Å; L118-M160 HydrophobicContact CG-CE 4.19Å; L118-W193 HydrophobicContact CD1-CH2 4.25Å; L118-W193 HydrophobicContact CD1-CZ2 4.06Å; L118-M197 HydrophobicContact CD1-CE 3.9Å; L118-M197 HydrophobicContact CD1-SD 3.54Å; L118-M197 VanDerWaalsContact CD1-SD 3.54Å
119	M	89.9	Confident	89.4	Confident	13 Å²	13	12.3 Å²	12.3	6%	0.064	6%	0.062	C	C	.	.	H	α-helix	trans	-61.2	-43.7	178.5	-175.9	63.9	71.7	0	0	111.3	L76 L101 F115 Y116 L121 F122 C123	L76-M119 HydrophobicContact CB-SD 4.09Å; L76-M119 HydrophobicContact CD2-CE 3.8Å; L76-M119 HydrophobicContact CD2-SD 4.05Å; L76-M119 WeakPolarHBondContact O-CG 3.27Å; L76-M119 VanDerWaalsContact O-SD 3.35Å; L101-M119 HydrophobicContact CD1-CE 3.58Å; L101-M119 HydrophobicContact CD1-SD 3.35Å; L101-M119 WeakPolarHBondContact CD1-SD 3.41Å; F115-M119 HydrophobicContact CE1-CE 3.47Å; F115-M119 VanDerWaalsContact CE1-CE 3.47Å; F115-M119 HydrophobicContact CE2-CE 4.43Å; F115-M119 HydrophobicContact CZ-CE 3.36Å; F115-M119 WeakPolarHBondContact O-CB 3.14Å; F115-M119 PolarHBondContact O-N 2.95Å; Y116-M119 PolarHBondContact O-N 2.95Å; M119-L121 VanDerWaalsContact C-N 3.27Å; M119-L121 PolarHBondContact O-N 3.43Å; M119-F122 PolarHBondContact O-N 2.69Å; M119-F122 VanDerWaalsContact O-N 3.11Å; M119-C123 WeakPolarHBondContact O-CB 3.43Å; M119-C123 PolarHBondContact O-N 3.45Å; M119-C123 PolarHBondContact O-SG 3.37Å
120	N	90.9	Very high	90	Very high	19 Å²	19	14.7 Å²	14.7	10%	0.102	7%	0.072	C	C	.	.	H	α-helix	trans	-58.8	-36.9	177.3	-77.6	-14.9	0	0	0	113.1	Y116 N117 L118 F122 C123 E124 F156	Y116-N120 WeakPolarHBondContact CD1-ND2 3.45Å; Y116-N120 WeakPolarHBondContact CE1-ND2 3Å; Y116-N120 PolarHBondContact O-N 3.45Å; N117-N120 PolarHBondContact O-N 2.9Å; L118-N120 VanDerWaalsContact C-N 3.34Å; L118-N120 PolarHBondContact O-N 3.01Å; N120-F122 VanDerWaalsContact C-N 3.32Å; N120-F122 PolarHBondContact O-N 3.27Å; N120-C123 PolarHBondContact O-N 3.15Å; N120-E124 WeakPolarHBondContact O-CB 3.48Å; N120-E124 WeakPolarHBondContact O-CG 3.39Å; N120-E124 PolarHBondContact O-N 3.45Å; N120-F156 HydrophobicContact CB-CZ 4.4Å
121	L	93.9	Very high	90.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-57.3	-46.4	175.3	-179.5	68.5	0	0	0	111.2	N117 L118 M119 L125 Y150 I152 F156 M160 I194 M197 F198 M224	N117-L121 PolarHBondContact O-N 2.76Å; L118-L121 WeakPolarHBondContact O-CB 3.47Å; L118-L121 PolarHBondContact O-N 3.45Å; M119-L121 VanDerWaalsContact C-N 3.27Å; M119-L121 PolarHBondContact O-N 3.43Å; L121-L125 WeakPolarHBondContact O-CB 3.45Å; L121-L125 PolarHBondContact O-N 3.01Å; L121-Y150 HydrophobicContact CD1-CE1 3.57Å; L121-Y150 HydrophobicContact CG-CE1 4.32Å; L121-Y150 PolarHBondContact O-OH 3.37Å; L121-I152 HydrophobicContact CD1-CD1 3.95Å; L121-I152 HydrophobicContact CD1-CG1 4.31Å; L121-I152 HydrophobicContact CD1-CG2 4.34Å; L121-F156 HydrophobicContact CB-CE1 4.12Å; L121-F156 HydrophobicContact CB-CZ 4.37Å; L121-F156 HydrophobicContact CD1-CE1 3.97Å; L121-M160 HydrophobicContact CB-SD 4.18Å; L121-M160 HydrophobicContact CD2-CE 3.88Å; L121-M160 HydrophobicContact CD2-SD 4.01Å; L121-I194 HydrophobicContact CD2-CD1 4.37Å; L121-I194 HydrophobicContact CD2-CG1 4.18Å; L121-I194 HydrophobicContact CD2-CG2 4.4Å; L121-M197 HydrophobicContact CD2-CE 4.22Å; L121-F198 HydrophobicContact CD1-CZ 4.41Å; L121-F198 HydrophobicContact CD2-CZ 3.93Å; L121-F198 HydrophobicContact CG-CZ 4.08Å; L121-M224 HydrophobicContact CD1-CE 3.86Å
122	F	92.3	Very high	90.8	Very high	30 Å²	30	15.3 Å²	15.3	13%	0.132	8%	0.077	C	C	.	.	H	α-helix	trans	-78.9	-35	-179.2	-73.3	-76.3	0	0	0	113.4	L97 L101 L118 M119 N120 L125 T126 M197 F198	L97-F122 HydrophobicContact CD1-CB 3.94Å; L97-F122 HydrophobicContact CD1-CD1 4.45Å; L97-F122 HydrophobicContact CD1-CG 4.37Å; L101-F122 HydrophobicContact CD1-CB 4.47Å; L101-F122 HydrophobicContact CD2-CD2 3.67Å; L101-F122 HydrophobicContact CD2-CE2 3.82Å; L101-F122 HydrophobicContact CD2-CG 4.28Å; L118-F122 HydrophobicContact CD1-CD2 4.24Å; L118-F122 HydrophobicContact CD1-CE2 3.74Å; L118-F122 HydrophobicContact CG-CE2 4.35Å; L118-F122 WeakPolarHBondContact O-CD2 3.15Å; L118-F122 PolarHBondContact O-N 2.71Å; M119-F122 PolarHBondContact O-N 2.69Å; M119-F122 VanDerWaalsContact O-N 3.11Å; N120-F122 VanDerWaalsContact C-N 3.32Å; N120-F122 PolarHBondContact O-N 3.27Å; F122-L125 HydrophobicContact CD1-CD2 4.22Å; F122-L125 PolarHBondContact O-N 3.16Å; F122-T126 WeakPolarHBondContact O-CB 3.32Å; F122-T126 WeakPolarHBondContact O-CG2 3.42Å; F122-T126 PolarHBondContact O-N 2.96Å; F122-T126 PolarHBondContact O-OG1 3.02Å; F122-M197 HydrophobicContact CE2-SD 4.32Å; F122-M197 HydrophobicContact CZ-CB 4.47Å; F122-M197 HydrophobicContact CZ-SD 4.42Å; F122-F198 HydrophobicContact CD1-CE1 4.25Å; F122-F198 HydrophobicContact CE1-CD1 4.25Å; F122-F198 AromaticContact CE1-CE1 3.6Å; F122-F198 HydrophobicContact CE1-CE1 3.6Å; F122-F198 HydrophobicContact CZ-CE1 4.04Å
123	C	91.4	Very high	91	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.014	9%	0.086	C	C	.	.	H	α-helix	trans	-60.9	-45.2	175.3	-75	0	0	0	0	111.6	L76 C77 Y80 M119 N120 C127 S128	L76-C123 PolarHBondContact O-SG 3.23Å; C77-C123 WeakPolarHBondContact CA-SG 3.15Å; C77-C123 HydrophobicContact CB-CB 3.78Å; C77-C123 WeakPolarHBondContact CB-SG 3.27Å; C77-C123 VanDerWaalsContact SG-CA 3.59Å; C77-C123 WeakPolarHBondContact SG-CB 3.49Å; C77-C123 CovalentContact SG-SG 2.03Å; C77-C123 PolarHBondContact SG-SG 2.94Å; Y80-C123 HydrophobicContact CE2-CB 4.05Å; M119-C123 WeakPolarHBondContact O-CB 3.43Å; M119-C123 PolarHBondContact O-N 3.45Å; M119-C123 PolarHBondContact O-SG 3.37Å; N120-C123 PolarHBondContact O-N 3.15Å; C123-C127 PolarHBondContact O-N 2.94Å; C123-S128 PolarHBondContact O-N 3.02Å
124	E	91.9	Very high	91.1	Very high	13 Å²	13	18 Å²	18	6%	0.061	9%	0.088	C	C	.	.	H	α-helix	trans	-64.6	-45.6	176.1	-77.6	-68.1	162.2	0	0	111.3	Y80 N120 T126 S128 F134 M224 N226	Y80-E124 WeakPolarHBondContact OH-CG 3.26Å; Y80-E124 PolarHBondContact OH-OE1 2.98Å; Y80-E124 PolarHBondContact OH-OE2 3.33Å; N120-E124 WeakPolarHBondContact O-CB 3.48Å; N120-E124 WeakPolarHBondContact O-CG 3.39Å; N120-E124 PolarHBondContact O-N 3.45Å; E124-T126 VanDerWaalsContact C-N 3.34Å; E124-T126 PolarHBondContact O-N 3.17Å; E124-S128 WeakPolarHBondContact O-CB 3.44Å; E124-S128 WeakPolarHBondContact OE2-CB 3.4Å; E124-S128 PolarHBondContact OE2-OG 3.41Å; E124-F134 HydrophobicContact CB-CE2 4.41Å; E124-F134 HydrophobicContact CB-CZ 4.1Å; E124-F134 WeakPolarHBondContact O-CE2 3.22Å; E124-F134 WeakPolarHBondContact O-CZ 3.4Å; E124-F134 WeakPolarHBondContact OE2-CE1 3.35Å; E124-F134 WeakPolarHBondContact OE2-CZ 3.49Å; E124-M224 HydrophobicContact CB-CE 4.17Å; E124-M224 HydrophobicContact CB-CG 3.95Å; E124-M224 HydrophobicContact CG-CE 4.31Å; E124-M224 HydrophobicContact CG-CG 3.78Å; E124-M224 HydrophobicContact CG-SD 4.18Å; E124-N226 PolarHBondContact OE1-ND2 2.99Å
125	L	92.6	Very high	91.1	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.021	9%	0.088	C	C	.	.	H	α-helix	trans	-57.8	-43.9	178	175	67.7	0	0	0	112.7	W39 L121 F122 Q131 M135 Y150 F198 I209	W39-L125 HydrophobicContact CH2-CD1 4.39Å; W39-L125 WeakPolarHBondContact CZ2-O 3.18Å; L121-L125 WeakPolarHBondContact O-CB 3.45Å; L121-L125 PolarHBondContact O-N 3.01Å; F122-L125 HydrophobicContact CD1-CD2 4.22Å; F122-L125 PolarHBondContact O-N 3.16Å; L125-Q131 PolarHBondContact O-NE2 3.05Å; L125-M135 HydrophobicContact CD1-SD 3.57Å; L125-M135 VanDerWaalsContact CD1-SD 3.57Å; L125-Y150 HydrophobicContact CB-CD1 4.43Å; L125-Y150 HydrophobicContact CB-CE1 3.95Å; L125-Y150 HydrophobicContact CD1-CD1 3.78Å; L125-Y150 HydrophobicContact CD1-CD2 4.23Å; L125-Y150 HydrophobicContact CD1-CE1 4.15Å; L125-Y150 HydrophobicContact CD1-CG 3.83Å; L125-Y150 HydrophobicContact CG-CE1 4.5Å; L125-F198 HydrophobicContact CD2-CE1 3.8Å; L125-F198 HydrophobicContact CD2-CZ 4.11Å; L125-I209 HydrophobicContact CD1-CG2 4.47Å; L125-I209 HydrophobicContact CD2-CD1 3.83Å
126	T	91.4	Very high	91.2	Very high	22 Å²	22	19.1 Å²	19.1	14%	0.135	10%	0.095	C	C	.	.	H	α-helix	trans	-94.8	-43.9	-168.3	52.9	0	0	0	0	114.4	W39 F122 E124 Q131	W39-T126 PolarHBondContact NE1-O 3.28Å; F122-T126 WeakPolarHBondContact O-CB 3.32Å; F122-T126 WeakPolarHBondContact O-CG2 3.42Å; F122-T126 PolarHBondContact O-N 2.96Å; F122-T126 PolarHBondContact O-OG1 3.02Å; E124-T126 VanDerWaalsContact C-N 3.34Å; E124-T126 PolarHBondContact O-N 3.17Å; T126-Q131 PolarHBondContact O-NE2 2.79Å
127	C	91.3	Very high	91.2	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.007	9%	0.088	C	C	.	.	H	α-helix	trans	-119.1	-9.6	-163.3	-75.3	0	0	0	0	114.7	L87 C88 C89 L94 C123	L87-C127 WeakPolarHBondContact CD2-O 3.2Å; C88-C127 PolarHBondContact N-O 3.25Å; C88-C127 VanDerWaalsContact N-O 3.14Å; C89-C127 HydrophobicContact CB-CB 3.9Å; C89-C127 WeakPolarHBondContact CB-SG 3.44Å; C89-C127 VanDerWaalsContact SG-CA 3.58Å; C89-C127 WeakPolarHBondContact SG-CB 3.44Å; C89-C127 CovalentContact SG-SG 2.03Å; C89-C127 PolarHBondContact SG-SG 3.49Å; L94-C127 VanDerWaalsContact CD2-SG 3.52Å; C123-C127 PolarHBondContact O-N 2.94Å
128	S	91.4	Very high	91	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.007	10%	0.103	C	C	.	.			trans	-54.2	135.4	-173.5	-171.1	0	0	0	0	112.7	C88 C123 E124 H130 Q131	C88-S128 WeakPolarHBondContact CB-O 3.06Å; C88-S128 PolarHBondContact SG-O 3.44Å; C123-S128 PolarHBondContact O-N 3.02Å; E124-S128 WeakPolarHBondContact O-CB 3.44Å; E124-S128 WeakPolarHBondContact OE2-CB 3.4Å; E124-S128 PolarHBondContact OE2-OG 3.41Å; S128-H130 PolarHBondContact O-N 3.42Å; S128-H130 PolarHBondContact OG-N 3.32Å; S128-Q131 PolarHBondContact O-N 3.25Å
129	P	88.9	Confident	90.8	Very high	16 Å²	16	24.6 Å²	24.6	10%	0.104	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-10.8	172.7	29.7	-34.8	0	0	0	113	P62	P62-P129 HydrophobicContact CB-CB 4.36Å; P62-P129 HydrophobicContact CG-CB 4.06Å; P62-P129 WeakPolarHBondContact CG-O 3.32Å
130	H	89.5	Confident	90.7	Very high	65 Å²	65	28.5 Å²	28.5	30%	0.301	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113	24.4	-177.9	-56	-43.8	0	0	0	112.6	Q35 S128 S132 Q133	Q35-H130 PolarHBondContact NE2-ND1 2.89Å; Q35-H130 PolarHBondContact OE1-CE1 3.48Å; Q35-H130 PolarHBondContact OE1-ND1 3.3Å; S128-H130 PolarHBondContact O-N 3.42Å; S128-H130 PolarHBondContact OG-N 3.32Å; H130-S132 VanDerWaalsContact C-N 3.26Å; H130-S132 PolarHBondContact O-N 3.06Å; H130-S132 VanDerWaalsContact O-N 3.1Å; H130-Q133 HydrophobicContact CB-CG 4.36Å; H130-Q133 WeakPolarHBondContact O-CB 3.42Å; H130-Q133 PolarHBondContact O-N 3.01Å
131	Q	89.9	Confident	90.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-51.2	-38.7	-171.2	-161.1	-178.9	43.5	0	0	114.4	V38 W39 C88 L125 T126 S128 Q133 F134 M135	V38-Q131 HydrophobicContact CG2-CG 4.27Å; W39-Q131 VanDerWaalsContact CE2-NE2 3.28Å; C88-Q131 HydrophobicContact CB-CB 4.44Å; L125-Q131 PolarHBondContact O-NE2 3.05Å; T126-Q131 PolarHBondContact O-NE2 2.79Å; S128-Q131 PolarHBondContact O-N 3.25Å; Q131-Q133 PolarHBondContact O-N 2.98Å; Q131-F134 PolarHBondContact O-N 3.22Å; Q131-M135 HydrophobicContact CG-CB 4.31Å; Q131-M135 HydrophobicContact CG-CE 3.56Å; Q131-M135 HydrophobicContact CG-SD 4.02Å; Q131-M135 VanDerWaalsContact NE2-CE 3.31Å; Q131-M135 WeakPolarHBondContact O-CB 3.37Å; Q131-M135 PolarHBondContact O-N 3.29Å
132	S	90.5	Very high	89.9	Confident	21 Å²	21	40.4 Å²	40.4	15%	0.147	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-67.7	-14	-179.5	65.1	0	0	0	0	115.2	H36 H130	H36-S132 WeakPolarHBondContact CE1-CB 3.38Å; H36-S132 PolarHBondContact N-OG 3Å; H36-S132 WeakPolarHBondContact ND1-CB 3.41Å; H36-S132 WeakPolarHBondContact O-CB 3.25Å; H36-S132 PolarHBondContact O-N 3.03Å; H36-S132 PolarHBondContact O-OG 3.39Å; H36-S132 VanDerWaalsContact O-OG 3.1Å; H130-S132 VanDerWaalsContact C-N 3.26Å; H130-S132 PolarHBondContact O-N 3.06Å; H130-S132 VanDerWaalsContact O-N 3.1Å
133	Q	90.5	Very high	89.5	Confident	73 Å²	73	44.3 Å²	44.3	34%	0.341	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-72.9	-30.1	-179.5	-66.8	-171.2	-28.6	0	0	113	H130 Q131 Y221 T222	H130-Q133 HydrophobicContact CB-CG 4.36Å; H130-Q133 WeakPolarHBondContact O-CB 3.42Å; H130-Q133 PolarHBondContact O-N 3.01Å; Q131-Q133 PolarHBondContact O-N 2.98Å; Q133-Y221 CarbonylContact O-C 3.41Å; Q133-Y221 WeakPolarHBondContact O-CA 3.26Å; Q133-T222 PolarHBondContact O-N 2.87Å; Q133-T222 PolarHBondContact O-OG1 3.21Å
134	F	91.9	Very high	89.4	Confident	10 Å²	10	44.5 Å²	44.5	4%	0.044	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.7	8	-172.2	49.6	-108.9	0	0	0	113	E124 Q131 Y150 Y151 T222 M224	E124-F134 HydrophobicContact CB-CE2 4.41Å; E124-F134 HydrophobicContact CB-CZ 4.1Å; E124-F134 WeakPolarHBondContact O-CE2 3.22Å; E124-F134 WeakPolarHBondContact O-CZ 3.4Å; E124-F134 WeakPolarHBondContact OE2-CE1 3.35Å; E124-F134 WeakPolarHBondContact OE2-CZ 3.49Å; Q131-F134 PolarHBondContact O-N 3.22Å; F134-Y150 AromaticContact CD2-CD2 3.91Å; F134-Y150 HydrophobicContact CD2-CD2 3.91Å; F134-Y150 AromaticContact CD2-CE2 3.38Å; F134-Y150 HydrophobicContact CD2-CE2 3.38Å; F134-Y150 AromaticContact CE2-CE2 3.82Å; F134-Y150 HydrophobicContact CE2-CE2 3.82Å; F134-Y150 HydrophobicContact CG-CE2 4.22Å; F134-Y150 WeakPolarHBondContact O-CD2 3.31Å; F134-Y151 WeakPolarHBondContact O-CD2 3.18Å; F134-Y151 PolarHBondContact O-N 3.03Å; F134-T222 VanDerWaalsContact CB-O 3.31Å; F134-T222 WeakPolarHBondContact CB-O 3.47Å; F134-M224 HydrophobicContact CB-CB 4.27Å; F134-M224 HydrophobicContact CD1-CB 4.18Å; F134-M224 HydrophobicContact CG-CB 4.08Å
135	M	92.2	Very high	89.3	Confident	3 Å²	3	43.9 Å²	43.9	2%	0.015	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	135.8	-176.3	-160.4	173.4	85.3	0	0	111.6	V38 W39 L125 Q131 V148 Q149	V38-M135 HydrophobicContact CB-CE 3.36Å; V38-M135 HydrophobicContact CG1-CE 3.65Å; V38-M135 HydrophobicContact CG2-CB 4.34Å; V38-M135 HydrophobicContact CG2-CE 3.71Å; W39-M135 HydrophobicContact CD2-CE 4Å; W39-M135 HydrophobicContact CE3-CE 3.98Å; W39-M135 HydrophobicContact CH2-CE 3.96Å; W39-M135 HydrophobicContact CH2-SD 4.01Å; W39-M135 HydrophobicContact CZ2-CE 3.99Å; W39-M135 HydrophobicContact CZ2-SD 4.19Å; W39-M135 HydrophobicContact CZ3-CE 3.98Å; W39-M135 HydrophobicContact CZ3-SD 4.45Å; L125-M135 HydrophobicContact CD1-SD 3.57Å; L125-M135 VanDerWaalsContact CD1-SD 3.57Å; Q131-M135 HydrophobicContact CG-CB 4.31Å; Q131-M135 HydrophobicContact CG-CE 3.56Å; Q131-M135 HydrophobicContact CG-SD 4.02Å; Q131-M135 VanDerWaalsContact NE2-CE 3.31Å; Q131-M135 WeakPolarHBondContact O-CB 3.37Å; Q131-M135 PolarHBondContact O-N 3.29Å; M135-V148 HydrophobicContact CE-CG1 4.2Å; M135-V148 HydrophobicContact CG-CG1 3.22Å; M135-V148 HydrophobicContact SD-CG1 3.72Å; M135-Q149 WeakPolarHBondContact CA-O 3.48Å
136	N	91.5	Very high	89.2	Confident	48 Å²	48	45 Å²	45	26%	0.257	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	118.9	179.9	-179	25.2	0	0	0	110.5	V148 Q149 Y151 Y221	N136-V148 CarbonylContact O-C 3.56Å; N136-Q149 HydrophobicContact CB-CB 4.46Å; N136-Q149 PolarHBondContact N-O 3.18Å; N136-Q149 PolarHBondContact O-N 3.36Å; N136-Y151 HydrophobicContact CB-CE2 4.14Å; N136-Y221 HydrophobicContact CB-CE1 3.97Å; N136-Y221 HydrophobicContact CB-CE2 4.22Å; N136-Y221 VanDerWaalsContact CG-OH 3.31Å; N136-Y221 PolarHBondContact OD1-OH 3.48Å
137	A	88.1	Confident	89.2	Confident	12 Å²	12	45.4 Å²	45.4	10%	0.099	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	120.1	176.3	0	0	0	0	0	110.8	V38 F140 V145 V148	V38-A137 HydrophobicContact CG1-CB 3.62Å; A137-F140 HydrophobicContact CB-CE1 3.68Å; A137-F140 HydrophobicContact CB-CE2 3.99Å; A137-F140 HydrophobicContact CB-CZ 3.27Å; A137-F140 WeakPolarHBondContact O-CE2 3.3Å; A137-V145 HydrophobicContact CB-CG1 3.88Å; A137-V148 HydrophobicContact CB-CG2 4.07Å
138	T	87.7	Confident	89.3	Confident	50 Å²	50	45.4 Å²	45.4	31%	0.307	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-32.4	-171.7	50.6	0	0	0	0	113.2	E147 Q149	T138-E147 PolarHBondContact N-O 2.63Å; T138-E147 WeakPolarHBondContact OG1-CB 3.37Å; T138-E147 VanDerWaalsContact OG1-CG 3.29Å; T138-E147 WeakPolarHBondContact OG1-CG 3.11Å; T138-E147 PolarHBondContact OG1-O 3.47Å; T138-E147 PolarHBondContact OG1-OE1 2.85Å; T138-Q149 HydrophobicContact CG2-CB 4.34Å; T138-Q149 HydrophobicContact CG2-CG 3.65Å
139	K	88.8	Confident	89.4	Confident	114 Å²	114	47.8 Å²	47.8	50%	0.496	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.7	178.7	-61.7	178	-175	155.9	0	111.4	V146 E147	K139-V146 PolarHBondContact O-N 2.99Å; K139-E147 HydrophobicContact CB-CB 3.77Å; K139-E147 HydrophobicContact CD-CB 4.04Å; K139-E147 WeakPolarHBondContact CD-OE2 3.26Å; K139-E147 VanDerWaalsContact CE-OE2 3.3Å; K139-E147 WeakPolarHBondContact CE-OE2 3.31Å; K139-E147 HydrophobicContact CG-CB 4.01Å; K139-E147 PolarHBondContact N-O 3.22Å; K139-E147 IonicContact NZ-OE1 3.7Å; K139-E147 IonicContact NZ-OE2 2.71Å; K139-E147 PolarHBondContact NZ-OE2 3.17Å; K139-E147 PolarHBondContact O-N 2.9Å
140	F	88	Confident	89.7	Confident	95 Å²	95	47 Å²	47	42%	0.417	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	143.2	177.2	-58.2	-90.8	0	0	0	110	N57 A137 N144 V145	N57-F140 HydrophobicContact CB-CD1 4.04Å; N57-F140 HydrophobicContact CB-CE1 4.01Å; N57-F140 VanDerWaalsContact CG-CE1 3.46Å; A137-F140 HydrophobicContact CB-CE1 3.68Å; A137-F140 HydrophobicContact CB-CE2 3.99Å; A137-F140 HydrophobicContact CB-CZ 3.27Å; A137-F140 WeakPolarHBondContact O-CE2 3.3Å; F140-N144 VanDerWaalsContact CA-O 3.28Å; F140-N144 WeakPolarHBondContact CA-O 3.48Å; F140-V145 HydrophobicContact CD1-CG2 4.11Å; F140-V145 HydrophobicContact CE1-CG2 3.93Å
141	E	84.4	Confident	90	Very high	92 Å²	92	44.5 Å²	44.5	43%	0.43	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	109	170.9	-174.4	162.9	-160.9	0	0	108.8	D143 N144 V146	E141-D143 PolarHBondContact O-N 3.24Å; E141-N144 PolarHBondContact N-O 3.33Å; E141-N144 VanDerWaalsContact O-CB 3.26Å; E141-N144 WeakPolarHBondContact O-CB 3.3Å; E141-N144 PolarHBondContact O-N 3.27Å; E141-N144 PolarHBondContact O-ND2 3.34Å; E141-V146 HydrophobicContact CB-CG2 3.63Å
142	K	83.8	Confident	90.2	Very high	176 Å²	176	44.5 Å²	44.5	77%	0.765	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	-120.4	-164.4	-55.3	169.1	-177.3	161	0	110.5
143	D	84.6	Confident	90.4	Very high	112 Å²	112	43.5 Å²	43.5	60%	0.599	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	0.6	175.3	-69.9	-28.3	0	0	0	112.6	C56 N57 E141	C56-D143 CarbonylContact C-O 3.55Å; C56-D143 WeakPolarHBondContact CA-O 3.42Å; N57-D143 WeakPolarHBondContact CB-O 3.31Å; N57-D143 PolarHBondContact N-O 3.41Å; E141-D143 PolarHBondContact O-N 3.24Å
144	N	89	Confident	90.5	Very high	7 Å²	7	45.2 Å²	45.2	4%	0.037	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	136.1	-178.9	-58.8	-48.3	0	0	0	111.7	C43 D44 Y54 F140 E141 V146	C43-N144 WeakPolarHBondContact CB-OD1 3.19Å; D44-N144 PolarHBondContact N-OD1 3.13Å; D44-N144 PolarHBondContact OD2-ND2 3.02Å; Y54-N144 HydrophobicContact CD2-CB 4.02Å; Y54-N144 HydrophobicContact CG-CB 4.05Å; F140-N144 VanDerWaalsContact CA-O 3.28Å; F140-N144 WeakPolarHBondContact CA-O 3.48Å; E141-N144 PolarHBondContact N-O 3.33Å; E141-N144 VanDerWaalsContact O-CB 3.26Å; E141-N144 WeakPolarHBondContact O-CB 3.3Å; E141-N144 PolarHBondContact O-N 3.27Å; E141-N144 PolarHBondContact O-ND2 3.34Å; N144-V146 HydrophobicContact CB-CG2 4.3Å
145	V	89.5	Confident	90.6	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	111.3	168	-175	0	0	0	0	108.9	W39 N55 N57 A137 F140 V148	W39-V145 HydrophobicContact CB-CG2 4.29Å; W39-V145 HydrophobicContact CE3-CB 4.22Å; W39-V145 HydrophobicContact CE3-CG1 4.04Å; W39-V145 HydrophobicContact CE3-CG2 4.35Å; W39-V145 HydrophobicContact CZ3-CG1 4.28Å; N55-V145 PolarHBondContact O-N 3.3Å; N57-V145 HydrophobicContact CB-CG2 4.19Å; A137-V145 HydrophobicContact CB-CG1 3.88Å; F140-V145 HydrophobicContact CD1-CG2 4.11Å; F140-V145 HydrophobicContact CE1-CG2 3.93Å; V145-V148 HydrophobicContact CG1-CG2 3.24Å
146	V	89.5	Confident	90.7	Very high	28 Å²	28	47.9 Å²	47.9	17%	0.17	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-21.6	-171.8	-175.3	0	0	0	0	112.3	Y54 K139 E141 N144 F207 P208	Y54-V146 HydrophobicContact CE1-CG1 4.33Å; Y54-V146 HydrophobicContact CE1-CG2 4.47Å; K139-V146 PolarHBondContact O-N 2.99Å; E141-V146 HydrophobicContact CB-CG2 3.63Å; N144-V146 HydrophobicContact CB-CG2 4.3Å; V146-F207 WeakPolarHBondContact O-CB 3.21Å; V146-P208 WeakPolarHBondContact O-CD 3.49Å
147	E	92.5	Very high	90.8	Very high	30 Å²	30	45.6 Å²	45.6	14%	0.14	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	138.2	175.4	-169.1	-176.3	92.8	0	0	110.4	T138 K139 P208 I210	T138-E147 PolarHBondContact N-O 2.63Å; T138-E147 WeakPolarHBondContact OG1-CB 3.37Å; T138-E147 VanDerWaalsContact OG1-CG 3.29Å; T138-E147 WeakPolarHBondContact OG1-CG 3.11Å; T138-E147 PolarHBondContact OG1-O 3.47Å; T138-E147 PolarHBondContact OG1-OE1 2.85Å; K139-E147 HydrophobicContact CB-CB 3.77Å; K139-E147 HydrophobicContact CD-CB 4.04Å; K139-E147 WeakPolarHBondContact CD-OE2 3.26Å; K139-E147 VanDerWaalsContact CE-OE2 3.3Å; K139-E147 WeakPolarHBondContact CE-OE2 3.31Å; K139-E147 HydrophobicContact CG-CB 4.01Å; K139-E147 PolarHBondContact N-O 3.22Å; K139-E147 IonicContact NZ-OE1 3.7Å; K139-E147 IonicContact NZ-OE2 2.71Å; K139-E147 PolarHBondContact NZ-OE2 3.17Å; K139-E147 PolarHBondContact O-N 2.9Å; E147-P208 HydrophobicContact CB-CG 4.47Å; E147-P208 HydrophobicContact CG-CG 4.21Å; E147-I210 HydrophobicContact CG-CD1 3.96Å; E147-I210 HydrophobicContact CG-CG1 4.37Å
148	V	93.1	Very high	91.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	138	-179.6	178.8	0	0	0	0	110.9	W39 M135 N136 A137 V145 F207 P208 I209 I210	W39-V148 HydrophobicContact CE3-CG2 4.31Å; W39-V148 HydrophobicContact CZ3-CG2 3.66Å; M135-V148 HydrophobicContact CE-CG1 4.2Å; M135-V148 HydrophobicContact CG-CG1 3.22Å; M135-V148 HydrophobicContact SD-CG1 3.72Å; N136-V148 CarbonylContact O-C 3.56Å; A137-V148 HydrophobicContact CB-CG2 4.07Å; V145-V148 HydrophobicContact CG1-CG2 3.24Å; V148-F207 HydrophobicContact CG2-CE2 4.1Å; V148-P208 PolarHBondContact N-O 3.01Å; V148-I209 CarbonylContact O-C 3.35Å; V148-I209 WeakPolarHBondContact O-CA 3.27Å; V148-I210 PolarHBondContact O-N 3.19Å
149	Q	93.8	Very high	91.3	Very high	52 Å²	52	47.1 Å²	47.1	24%	0.243	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	128.8	165	-73.8	176.4	-3.7	0	0	110.2	M135 N136 T138 Y151 I210	M135-Q149 WeakPolarHBondContact CA-O 3.48Å; N136-Q149 HydrophobicContact CB-CB 4.46Å; N136-Q149 PolarHBondContact N-O 3.18Å; N136-Q149 PolarHBondContact O-N 3.36Å; T138-Q149 HydrophobicContact CG2-CB 4.34Å; T138-Q149 HydrophobicContact CG2-CG 3.65Å; Q149-Y151 HydrophobicContact CB-CE2 4.49Å; Q149-Y151 PolarHBondContact OE1-OH 3.4Å; Q149-I210 WeakPolarHBondContact CA-O 3.45Å; Q149-I210 HydrophobicContact CG-CB 4.08Å; Q149-I210 HydrophobicContact CG-CG2 4.4Å
150	Y	95.1	Very high	91.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	116.2	178.9	-177.5	-151.7	0	0	0	110.4	L121 L125 F134 I152 F198 I210 P211 V212 M224	L121-Y150 HydrophobicContact CD1-CE1 3.57Å; L121-Y150 HydrophobicContact CG-CE1 4.32Å; L121-Y150 PolarHBondContact O-OH 3.37Å; L125-Y150 HydrophobicContact CB-CD1 4.43Å; L125-Y150 HydrophobicContact CB-CE1 3.95Å; L125-Y150 HydrophobicContact CD1-CD1 3.78Å; L125-Y150 HydrophobicContact CD1-CD2 4.23Å; L125-Y150 HydrophobicContact CD1-CE1 4.15Å; L125-Y150 HydrophobicContact CD1-CG 3.83Å; L125-Y150 HydrophobicContact CG-CE1 4.5Å; F134-Y150 AromaticContact CD2-CD2 3.91Å; F134-Y150 HydrophobicContact CD2-CD2 3.91Å; F134-Y150 AromaticContact CD2-CE2 3.38Å; F134-Y150 HydrophobicContact CD2-CE2 3.38Å; F134-Y150 AromaticContact CE2-CE2 3.82Å; F134-Y150 HydrophobicContact CE2-CE2 3.82Å; F134-Y150 HydrophobicContact CG-CE2 4.22Å; F134-Y150 WeakPolarHBondContact O-CD2 3.31Å; Y150-I152 HydrophobicContact CD1-CD1 3.57Å; Y150-I152 HydrophobicContact CD1-CG1 3.64Å; Y150-I152 HydrophobicContact CD2-CG1 4.29Å; Y150-I152 HydrophobicContact CE1-CD1 3.81Å; Y150-I152 HydrophobicContact CE1-CG1 3.68Å; Y150-I152 HydrophobicContact CE2-CG1 4.29Å; Y150-I152 HydrophobicContact CG-CD1 4.23Å; Y150-I152 HydrophobicContact CG-CG1 3.96Å; Y150-F198 AromaticContact CD1-CE2 3.8Å; Y150-F198 HydrophobicContact CD1-CE2 3.8Å; Y150-F198 AromaticContact CD1-CZ 3.88Å; Y150-F198 HydrophobicContact CD1-CZ 3.88Å; Y150-F198 HydrophobicContact CE1-CE2 4.39Å; Y150-F198 HydrophobicContact CE1-CZ 4.15Å; Y150-I210 PolarHBondContact N-O 3.2Å; Y150-P211 CarbonylContact O-C 3.54Å; Y150-P211 WeakPolarHBondContact O-CA 3.13Å; Y150-V212 PolarHBondContact O-N 3.16Å; Y150-M224 HydrophobicContact CE2-CB 4.22Å; Y150-M224 WeakPolarHBondContact OH-CE 3.33Å
151	Y	94.8	Very high	91.8	Very high	11 Å²	11	38.5 Å²	38.5	4%	0.043	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	116.8	-178.2	-60.8	-87.6	0	0	0	110.3	F134 N136 Q149 V212 Y221 P223 M224	F134-Y151 WeakPolarHBondContact O-CD2 3.18Å; F134-Y151 PolarHBondContact O-N 3.03Å; N136-Y151 HydrophobicContact CB-CE2 4.14Å; Q149-Y151 HydrophobicContact CB-CE2 4.49Å; Q149-Y151 PolarHBondContact OE1-OH 3.4Å; Y151-V212 WeakPolarHBondContact CA-O 3.46Å; Y151-V212 HydrophobicContact CD1-CB 3.65Å; Y151-V212 HydrophobicContact CD1-CG1 3.71Å; Y151-V212 HydrophobicContact CD1-CG2 4.24Å; Y151-V212 HydrophobicContact CE1-CB 3.96Å; Y151-V212 HydrophobicContact CE1-CG1 3.88Å; Y151-V212 HydrophobicContact CE1-CG2 4.1Å; Y151-V212 HydrophobicContact CG-CB 4.41Å; Y151-Y221 HydrophobicContact CD2-CD1 4.25Å; Y151-Y221 HydrophobicContact CD2-CD2 4.34Å; Y151-Y221 AromaticContact CD2-CG 3.8Å; Y151-Y221 HydrophobicContact CD2-CG 3.8Å; Y151-Y221 HydrophobicContact CE2-CD1 4.01Å; Y151-Y221 AromaticContact CE2-CD2 3.54Å; Y151-Y221 HydrophobicContact CE2-CD2 3.54Å; Y151-Y221 HydrophobicContact CE2-CE2 4.18Å; Y151-Y221 AromaticContact CE2-CG 3.44Å; Y151-Y221 HydrophobicContact CE2-CG 3.44Å; Y151-Y221 VanDerWaalsContact CE2-CG 3.44Å; Y151-Y221 AromaticContact CZ-CD2 3.72Å; Y151-P223 WeakPolarHBondContact O-CA 3.24Å; Y151-M224 PolarHBondContact O-N 3.05Å
152	I	94.9	Very high	92.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136.3	-172.3	-53.8	162.5	0	0	0	109.8	L121 Y150 K154 F156 A157 I194 F198 P211 V212 F213 S214	L121-I152 HydrophobicContact CD1-CD1 3.95Å; L121-I152 HydrophobicContact CD1-CG1 4.31Å; L121-I152 HydrophobicContact CD1-CG2 4.34Å; Y150-I152 HydrophobicContact CD1-CD1 3.57Å; Y150-I152 HydrophobicContact CD1-CG1 3.64Å; Y150-I152 HydrophobicContact CD2-CG1 4.29Å; Y150-I152 HydrophobicContact CE1-CD1 3.81Å; Y150-I152 HydrophobicContact CE1-CG1 3.68Å; Y150-I152 HydrophobicContact CE2-CG1 4.29Å; Y150-I152 HydrophobicContact CG-CD1 4.23Å; Y150-I152 HydrophobicContact CG-CG1 3.96Å; I152-K154 PolarHBondContact O-N 3.08Å; I152-F156 HydrophobicContact CG2-CD1 3.97Å; I152-A157 HydrophobicContact CG2-CB 4.49Å; I152-I194 HydrophobicContact CD1-CG2 3.92Å; I152-F198 HydrophobicContact CD1-CE2 3.94Å; I152-P211 HydrophobicContact CD1-CB 3.86Å; I152-V212 PolarHBondContact N-O 3.48Å; I152-F213 HydrophobicContact CB-CD1 4.28Å; I152-F213 HydrophobicContact CD1-CE1 4.22Å; I152-F213 WeakPolarHBondContact O-CA 3.45Å; I152-S214 PolarHBondContact O-N 3.42Å
153	G	95.1	Very high	92.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.			trans	-57	131.1	171	0	0	0	0	0	111.6	T155 F156 A157 S214 M224	G153-T155 VanDerWaalsContact C-N 3.26Å; G153-T155 PolarHBondContact O-N 2.83Å; G153-F156 PolarHBondContact O-N 2.84Å; G153-A157 PolarHBondContact O-N 2.91Å; G153-S214 WeakPolarHBondContact CA-O 3.47Å; G153-M224 PolarHBondContact N-O 2.99Å
154	K	92.9	Very high	92.9	Very high	109 Å²	109	24.3 Å²	24.3	47%	0.474	13%	0.128	S	C	.	.	H	α-helix	trans	-67.2	-35.4	174.5	-171.8	176.8	-177.3	175.8	0	110.5	I152 A157 N158 D215	I152-K154 PolarHBondContact O-N 3.08Å; K154-A157 PolarHBondContact O-N 3.39Å; K154-N158 WeakPolarHBondContact O-CB 3.46Å; K154-N158 VanDerWaalsContact O-CG 3.25Å; K154-N158 PolarHBondContact O-N 3.39Å; K154-N158 PolarHBondContact O-ND2 2.67Å; K154-D215 PolarHBondContact N-OD1 3.34Å
155	T	93.2	Very high	92.9	Very high	69 Å²	69	26.7 Å²	26.7	42%	0.423	14%	0.139	S	C	.	.	H	α-helix	trans	-59	-48.2	170.7	43.7	0	0	0	0	112.3	G153 A159 D215 N225	G153-T155 VanDerWaalsContact C-N 3.26Å; G153-T155 PolarHBondContact O-N 2.83Å; T155-A159 WeakPolarHBondContact O-CB 3.4Å; T155-A159 PolarHBondContact O-N 3.31Å; T155-D215 PolarHBondContact N-OD1 2.99Å; T155-D215 PolarHBondContact OG1-OD1 2.72Å; T155-N225 PolarHBondContact OG1-ND2 2.98Å; T155-N225 PolarHBondContact OG1-OD1 3.41Å
156	F	94.8	Very high	92.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.9	-52.7	173.9	-179.5	-86.8	0	0	0	112	N120 L121 I152 G153 N158 A159 M160 M224 N225 T228	N120-F156 HydrophobicContact CB-CZ 4.4Å; L121-F156 HydrophobicContact CB-CE1 4.12Å; L121-F156 HydrophobicContact CB-CZ 4.37Å; L121-F156 HydrophobicContact CD1-CE1 3.97Å; I152-F156 HydrophobicContact CG2-CD1 3.97Å; G153-F156 PolarHBondContact O-N 2.84Å; F156-N158 PolarHBondContact O-N 3.47Å; F156-A159 PolarHBondContact O-N 3.27Å; F156-M160 HydrophobicContact CE1-CB 4.45Å; F156-M160 HydrophobicContact CE1-SD 3.91Å; F156-M160 WeakPolarHBondContact O-CB 3.17Å; F156-M160 PolarHBondContact O-N 3Å; F156-M224 HydrophobicContact CD1-CE 4.03Å; F156-M224 HydrophobicContact CD1-SD 4.46Å; F156-M224 HydrophobicContact CD2-CE 4.41Å; F156-M224 HydrophobicContact CD2-SD 3.96Å; F156-M224 HydrophobicContact CE1-CE 3.69Å; F156-M224 HydrophobicContact CE1-SD 4.47Å; F156-M224 HydrophobicContact CE2-CE 4.08Å; F156-M224 HydrophobicContact CE2-SD 3.95Å; F156-M224 HydrophobicContact CG-CE 4.39Å; F156-M224 HydrophobicContact CG-SD 4.23Å; F156-M224 HydrophobicContact CZ-CE 3.72Å; F156-M224 HydrophobicContact CZ-SD 4.22Å; F156-N225 WeakPolarHBondContact CB-OD1 3.28Å; F156-T228 HydrophobicContact CD2-CG2 3.33Å; F156-T228 HydrophobicContact CE2-CG2 3.48Å; F156-T228 VanDerWaalsContact CE2-CG2 3.48Å; F156-T228 HydrophobicContact CG-CG2 4.12Å; F156-T228 HydrophobicContact CZ-CG2 4.35Å
157	A	93.9	Very high	92.5	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-58.8	-45	-177.8	0	0	0	0	0	112.2	I152 G153 K154 M160 Y161 I194 F213	I152-A157 HydrophobicContact CG2-CB 4.49Å; G153-A157 PolarHBondContact O-N 2.91Å; K154-A157 PolarHBondContact O-N 3.39Å; A157-M160 PolarHBondContact O-N 3.16Å; A157-Y161 WeakPolarHBondContact O-CB 3.43Å; A157-Y161 PolarHBondContact O-N 3.37Å; A157-I194 HydrophobicContact CB-CD1 3.7Å; A157-F213 HydrophobicContact CB-CD1 4.09Å; A157-F213 HydrophobicContact CB-CE1 4.12Å
158	N	93.8	Very high	91.8	Very high	64 Å²	64	26.2 Å²	26.2	34%	0.342	14%	0.135	S	C	.	.	H	α-helix	trans	-65.6	-42.2	177.4	-73.1	-23.6	0	0	0	112.3	K154 F156 Y161 N162 A190	K154-N158 WeakPolarHBondContact O-CB 3.46Å; K154-N158 VanDerWaalsContact O-CG 3.25Å; K154-N158 PolarHBondContact O-N 3.39Å; K154-N158 PolarHBondContact O-ND2 2.67Å; F156-N158 PolarHBondContact O-N 3.47Å; N158-Y161 PolarHBondContact O-N 3.46Å; N158-N162 VanDerWaalsContact O-CB 3.3Å; N158-N162 WeakPolarHBondContact O-CB 3.38Å; N158-N162 PolarHBondContact O-N 3.19Å; N158-N162 PolarHBondContact O-ND2 3.17Å; N158-A190 WeakPolarHBondContact OD1-CB 3.5Å
159	A	92.7	Very high	90.6	Very high	30 Å²	30	26.4 Å²	26.4	25%	0.248	14%	0.137	C	C	.	.	H	α-helix	trans	-64.7	-41.6	178.5	0	0	0	0	0	111.7	T155 F156 A163 T228	T155-A159 WeakPolarHBondContact O-CB 3.4Å; T155-A159 PolarHBondContact O-N 3.31Å; F156-A159 PolarHBondContact O-N 3.27Å; A159-A163 WeakPolarHBondContact O-CB 3.32Å; A159-A163 PolarHBondContact O-N 3.02Å; A159-A163 VanDerWaalsContact O-N 3.12Å; A159-T228 HydrophobicContact CB-CG2 4.13Å; A159-T228 WeakPolarHBondContact CB-OG1 3.29Å
160	M	94.2	Very high	88.8	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.8	-49.2	175	176.5	-178.2	153.1	0	0	111.6	N117 L118 L121 F156 A157 A163 C164 W193 M197	N117-M160 HydrophobicContact CB-CB 4.06Å; N117-M160 HydrophobicContact CB-CG 3.87Å; L118-M160 HydrophobicContact CB-CE 3.91Å; L118-M160 HydrophobicContact CD1-CE 3.26Å; L118-M160 HydrophobicContact CG-CE 4.19Å; L121-M160 HydrophobicContact CB-SD 4.18Å; L121-M160 HydrophobicContact CD2-CE 3.88Å; L121-M160 HydrophobicContact CD2-SD 4.01Å; F156-M160 HydrophobicContact CE1-CB 4.45Å; F156-M160 HydrophobicContact CE1-SD 3.91Å; F156-M160 WeakPolarHBondContact O-CB 3.17Å; F156-M160 PolarHBondContact O-N 3Å; A157-M160 PolarHBondContact O-N 3.16Å; M160-A163 PolarHBondContact O-N 3.47Å; M160-C164 PolarHBondContact O-N 3.05Å; M160-C164 PolarHBondContact O-SG 3.28Å; M160-C164 VanDerWaalsContact O-SG 3.36Å; M160-W193 HydrophobicContact CE-CE3 4.1Å; M160-W193 HydrophobicContact CE-CH2 3.34Å; M160-W193 HydrophobicContact CE-CZ2 4.04Å; M160-W193 HydrophobicContact CE-CZ3 3.39Å; M160-W193 HydrophobicContact CG-CH2 4.32Å; M160-W193 HydrophobicContact CG-CZ3 3.91Å; M160-W193 HydrophobicContact SD-CZ3 4.41Å; M160-M197 HydrophobicContact CE-CE 3.89Å
161	Y	93.4	Very high	86.9	Confident	27 Å²	27	26 Å²	26	11%	0.106	14%	0.14	C	C	.	.	H	α-helix	trans	-61.2	-48.8	177.3	173.8	-97.1	0	0	0	112.6	A157 N158 A163 C164 Q165 L177 C188 A190 W193	A157-Y161 WeakPolarHBondContact O-CB 3.43Å; A157-Y161 PolarHBondContact O-N 3.37Å; N158-Y161 PolarHBondContact O-N 3.46Å; Y161-A163 PolarHBondContact O-N 3.3Å; Y161-C164 PolarHBondContact O-N 2.94Å; Y161-Q165 HydrophobicContact CE1-CB 4Å; Y161-Q165 HydrophobicContact CE2-CB 4.47Å; Y161-Q165 PolarHBondContact O-N 2.84Å; Y161-L177 HydrophobicContact CE2-CD1 4.23Å; Y161-C188 HydrophobicContact CE2-CB 4.45Å; Y161-C188 PolarHBondContact OH-O 3Å; Y161-A190 HydrophobicContact CD1-CB 4.33Å; Y161-A190 HydrophobicContact CG-CB 3.89Å; Y161-W193 HydrophobicContact CD2-CE3 4.14Å
162	N	92.1	Very high	85.2	Confident	79 Å²	79	25.6 Å²	25.6	42%	0.422	14%	0.139	S	C	.	.	H	α-helix	trans	-62.4	-28.4	-178.7	-74.2	-25.2	0	0	0	112.8	N158 C164	N158-N162 VanDerWaalsContact O-CB 3.3Å; N158-N162 WeakPolarHBondContact O-CB 3.38Å; N158-N162 PolarHBondContact O-N 3.19Å; N158-N162 PolarHBondContact O-ND2 3.17Å; N162-C164 VanDerWaalsContact C-N 3.28Å
163	A	91.6	Very high	83.7	Confident	3 Å²	3	26.9 Å²	26.9	3%	0.025	15%	0.145	C	C	.	.	H	α-helix	trans	-72.4	-21.9	174.1	0	0	0	0	0	113	C114 A159 M160 Y161 C231	C114-A163 WeakPolarHBondContact CB-O 3.45Å; A159-A163 WeakPolarHBondContact O-CB 3.32Å; A159-A163 PolarHBondContact O-N 3.02Å; A159-A163 VanDerWaalsContact O-N 3.12Å; M160-A163 PolarHBondContact O-N 3.47Å; Y161-A163 PolarHBondContact O-N 3.3Å; A163-C231 HydrophobicContact CB-CB 4.44Å
164	C	90.7	Very high	82.4	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-107.3	-19.6	-173.5	-64.6	0	0	0	0	114.7	C114 M160 Y161 N162 D166 V167 L177 W193	C114-C164 WeakPolarHBondContact CA-SG 3.45Å; C114-C164 HydrophobicContact CB-CB 3.98Å; C114-C164 WeakPolarHBondContact CB-SG 3.46Å; C114-C164 WeakPolarHBondContact SG-CA 2.99Å; C114-C164 WeakPolarHBondContact SG-CB 3.29Å; C114-C164 CovalentContact SG-SG 2.02Å; C114-C164 PolarHBondContact SG-SG 2.81Å; M160-C164 PolarHBondContact O-N 3.05Å; M160-C164 PolarHBondContact O-SG 3.28Å; M160-C164 VanDerWaalsContact O-SG 3.36Å; Y161-C164 PolarHBondContact O-N 2.94Å; N162-C164 VanDerWaalsContact C-N 3.28Å; C164-D166 PolarHBondContact O-N 3.3Å; C164-V167 WeakPolarHBondContact O-CG2 3.46Å; C164-V167 PolarHBondContact O-N 2.8Å; C164-L177 HydrophobicContact CB-CD1 4.07Å; C164-L177 VanDerWaalsContact O-CD1 3.32Å; C164-L177 WeakPolarHBondContact O-CD1 3.39Å; C164-W193 HydrophobicContact CB-CH2 4.18Å; C164-W193 HydrophobicContact CB-CZ3 4.4Å
165	Q	89.6	Confident	81.6	Confident	57 Å²	57	26 Å²	26	27%	0.266	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-21.1	-169.3	72	-176.6	-30.5	0	0	116.4	Y161 K175 L177	Y161-Q165 HydrophobicContact CE1-CB 4Å; Y161-Q165 HydrophobicContact CE2-CB 4.47Å; Y161-Q165 PolarHBondContact O-N 2.84Å; Q165-K175 WeakPolarHBondContact O-CD 3.36Å; Q165-K175 WeakPolarHBondContact O-CE 3.25Å; Q165-K175 PolarHBondContact O-NZ 3Å; Q165-L177 HydrophobicContact CB-CD1 4.32Å
166	D	86.9	Confident	81	Confident	27 Å²	27	22.7 Å²	22.7	14%	0.144	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-2.4	-174.7	-65.7	-36.9	0	0	0	114.1	C164 Q168 K175 D246 A248	C164-D166 PolarHBondContact O-N 3.3Å; D166-Q168 PolarHBondContact O-N 3.36Å; D166-Q168 PolarHBondContact O-NE2 2.9Å; D166-Q168 VanDerWaalsContact O-NE2 3.13Å; D166-K175 IonicContact OD1-NZ 2.66Å; D166-K175 PolarHBondContact OD1-NZ 3.26Å; D166-D246 CarbonylContact C-O 3.5Å; D166-A248 VanDerWaalsContact OD2-CB 3.24Å; D166-A248 WeakPolarHBondContact OD2-CB 3.49Å; D166-A248 PolarHBondContact OD2-N 3.38Å
167	V	84.3	Confident	80.5	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.			trans	-61.2	127.3	-179	-179.2	0	0	0	0	109.8	L108 R110 C111 C114 C164 K175 A176 D246	L108-V167 HydrophobicContact CD2-CB 4.39Å; L108-V167 HydrophobicContact CD2-CG1 4.35Å; R110-V167 HydrophobicContact CB-CG1 4.13Å; C111-V167 HydrophobicContact CB-CG2 3.55Å; C114-V167 HydrophobicContact CB-CG2 4.4Å; C164-V167 WeakPolarHBondContact O-CG2 3.46Å; C164-V167 PolarHBondContact O-N 2.8Å; V167-K175 CarbonylContact O-C 3.5Å; V167-K175 WeakPolarHBondContact O-CA 3.17Å; V167-A176 HydrophobicContact CB-CB 4.18Å; V167-A176 HydrophobicContact CG1-CB 4Å; V167-A176 WeakPolarHBondContact O-CB 3.25Å; V167-A176 PolarHBondContact O-N 3.32Å; V167-D246 HydrophobicContact CG2-CB 4.47Å; V167-D246 PolarHBondContact N-O 3.04Å
168	Q	76.2	Confident	79.4	Confident	21 Å²	21	23 Å²	23	10%	0.098	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	154.4	-178.5	-59.8	-62.4	-37.9	0	0	111.5	R110 D166 Q245 D246	R110-Q168 WeakPolarHBondContact CD-O 3.42Å; D166-Q168 PolarHBondContact O-N 3.36Å; D166-Q168 PolarHBondContact O-NE2 2.9Å; D166-Q168 VanDerWaalsContact O-NE2 3.13Å; Q168-Q245 HydrophobicContact CB-CG 4.38Å; Q168-Q245 HydrophobicContact CG-CG 3.79Å; Q168-Q245 WeakPolarHBondContact CG-O 3.48Å; Q168-D246 PolarHBondContact N-OD1 3.19Å
169	A	68.3	Low	78.3	Confident	4 Å²	4	20.9 Å²	20.9	3%	0.033	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	103	166.3	0	0	0	0	0	108.6	S171 S172 N173 V174 L179	A169-S171 PolarHBondContact O-N 2.9Å; A169-S172 WeakPolarHBondContact CB-OG 3.48Å; A169-S172 CarbonylContact O-C 3.08Å; A169-S172 PolarHBondContact O-N 3.46Å; A169-S172 VanDerWaalsContact O-N 3.13Å; A169-S172 PolarHBondContact O-OG 3.02Å; A169-N173 PolarHBondContact O-N 2.92Å; A169-V174 PolarHBondContact N-O 3.4Å; A169-L179 HydrophobicContact CB-CD1 4.3Å
170	P	56	Low	77.5	Confident	3 Å²	3	20.4 Å²	20.4	2%	0.019	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-38.1	-169.6	-22.8	31.1	0	0	0	115.3	R110 S172 N173	R110-P170 VanDerWaalsContact CZ-CG 3.42Å; P170-S172 PolarHBondContact O-N 3.06Å; P170-N173 PolarHBondContact O-OD1 3.29Å
171	S	56	Low	76.8	Confident	42 Å²	42	20.6 Å²	20.6	29%	0.294	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.8	176.4	38.7	0	0	0	0	113.5	A169 D950	A169-S171 PolarHBondContact O-N 2.9Å; S171-D950 VanDerWaalsContact CB-OD2 3.25Å; S171-D950 WeakPolarHBondContact CB-OD2 3.33Å; S171-D950 PolarHBondContact N-OD2 3.22Å
172	S	59.1	Low	75.4	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.007	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-3.5	-176.3	57.6	0	0	0	0	114.8	A169 P170 V174 F549	A169-S172 WeakPolarHBondContact CB-OG 3.48Å; A169-S172 CarbonylContact O-C 3.08Å; A169-S172 PolarHBondContact O-N 3.46Å; A169-S172 VanDerWaalsContact O-N 3.13Å; A169-S172 PolarHBondContact O-OG 3.02Å; P170-S172 PolarHBondContact O-N 3.06Å; S172-V174 PolarHBondContact O-N 3.28Å; S172-V174 VanDerWaalsContact OG-CG2 3.29Å; S172-V174 WeakPolarHBondContact OG-CG2 3.44Å; S172-F549 WeakPolarHBondContact O-CE1 3.45Å
173	N	62.2	Low	74.3	Confident	27 Å²	27	21.8 Å²	21.8	14%	0.144	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	30.1	-177.4	-78.7	-14.4	0	0	0	114.6	A169 P170 W551 T943	A169-N173 PolarHBondContact O-N 2.92Å; P170-N173 PolarHBondContact O-OD1 3.29Å; N173-W551 HydrophobicContact CB-CH2 4.34Å; N173-T943 PolarHBondContact ND2-O 2.85Å; N173-T943 PolarHBondContact OD1-O 3.43Å; N173-T943 PolarHBondContact OD1-OG1 3.32Å
174	V	68.3	Low	73	Confident	22 Å²	22	23.6 Å²	23.6	13%	0.133	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	163.5	177.5	-65.3	0	0	0	0	111.4	A169 S172	A169-V174 PolarHBondContact N-O 3.4Å; S172-V174 PolarHBondContact O-N 3.28Å; S172-V174 VanDerWaalsContact OG-CG2 3.29Å; S172-V174 WeakPolarHBondContact OG-CG2 3.44Å
175	K	77.6	Confident	72.1	Confident	68 Å²	68	24.1 Å²	24.1	30%	0.296	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	135.5	171.7	-70.3	-175.8	164.6	-145.2	0	110.4	Q165 D166 V167 L177 S178 A185	Q165-K175 WeakPolarHBondContact O-CD 3.36Å; Q165-K175 WeakPolarHBondContact O-CE 3.25Å; Q165-K175 PolarHBondContact O-NZ 3Å; D166-K175 IonicContact OD1-NZ 2.66Å; D166-K175 PolarHBondContact OD1-NZ 3.26Å; V167-K175 CarbonylContact O-C 3.5Å; V167-K175 WeakPolarHBondContact O-CA 3.17Å; K175-L177 PolarHBondContact O-N 3.29Å; K175-S178 WeakPolarHBondContact O-CB 3.43Å; K175-S178 PolarHBondContact O-N 2.95Å; K175-A185 HydrophobicContact CB-CB 3.82Å; K175-A185 HydrophobicContact CD-CB 3.76Å; K175-A185 HydrophobicContact CG-CB 4.39Å
176	A	79.8	Confident	71.2	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.4	-31.6	179.3	0	0	0	0	0	112.9	F107 L108 V167 S178 L179 L180	F107-A176 HydrophobicContact CB-CB 4.14Å; L108-A176 HydrophobicContact CD2-CB 3.93Å; V167-A176 HydrophobicContact CB-CB 4.18Å; V167-A176 HydrophobicContact CG1-CB 4Å; V167-A176 WeakPolarHBondContact O-CB 3.25Å; V167-A176 PolarHBondContact O-N 3.32Å; A176-S178 VanDerWaalsContact C-N 3.31Å; A176-S178 PolarHBondContact O-N 3.48Å; A176-L179 WeakPolarHBondContact O-CB 3.37Å; A176-L179 PolarHBondContact O-N 3.18Å; A176-L179 VanDerWaalsContact O-N 3.08Å; A176-L180 PolarHBondContact O-N 2.65Å
177	L	83.3	Confident	70.5	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-69.2	-24.7	177.4	-82.9	156.1	0	0	0	113.9	Y161 C164 Q165 K175 L179 L180 C181 A185 W193	Y161-L177 HydrophobicContact CE2-CD1 4.23Å; C164-L177 HydrophobicContact CB-CD1 4.07Å; C164-L177 VanDerWaalsContact O-CD1 3.32Å; C164-L177 WeakPolarHBondContact O-CD1 3.39Å; Q165-L177 HydrophobicContact CB-CD1 4.32Å; K175-L177 PolarHBondContact O-N 3.29Å; L177-L179 PolarHBondContact O-N 3.26Å; L177-L180 PolarHBondContact O-N 3.2Å; L177-C181 WeakPolarHBondContact O-CB 3.27Å; L177-C181 PolarHBondContact O-N 3.32Å; L177-A185 HydrophobicContact CB-CB 4.34Å; L177-W193 HydrophobicContact CD2-CD2 3.75Å; L177-W193 HydrophobicContact CD2-CE3 4.29Å; L177-W193 HydrophobicContact CD2-CG 4.04Å; L177-W193 HydrophobicContact CD2-CH2 4.44Å; L177-W193 HydrophobicContact CD2-CZ2 3.95Å
178	S	71.3	Confident	70.4	Confident	6 Å²	6	32.2 Å²	32.2	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-60.6	-26.1	170.6	-61.8	0	0	0	0	111.2	K175 A176 D184 A185 S525	K175-S178 WeakPolarHBondContact O-CB 3.43Å; K175-S178 PolarHBondContact O-N 2.95Å; A176-S178 VanDerWaalsContact C-N 3.31Å; A176-S178 PolarHBondContact O-N 3.48Å; S178-D184 PolarHBondContact OG-OD2 3.24Å; S178-A185 VanDerWaalsContact OG-CB 3.25Å; S178-A185 WeakPolarHBondContact OG-CB 3.3Å; S178-A185 PolarHBondContact OG-N 3.08Å; S178-A185 VanDerWaalsContact OG-N 3.1Å; S178-S525 WeakPolarHBondContact CB-O 3.29Å
179	L	70.3	Confident	71	Confident	21 Å²	21	35.6 Å²	35.6	11%	0.11	18%	0.184	C	C	.	.	H	α-helix	trans	-87.7	-21.6	176.3	-51	178.4	0	0	0	113.2	F107 A169 A176 L177 A526	F107-L179 HydrophobicContact CD1-CD1 3.84Å; F107-L179 HydrophobicContact CE1-CD1 3.49Å; F107-L179 VanDerWaalsContact CE1-CD1 3.49Å; F107-L179 HydrophobicContact CE2-CD1 4.32Å; F107-L179 HydrophobicContact CG-CD1 4.41Å; F107-L179 HydrophobicContact CZ-CD1 3.75Å; A169-L179 HydrophobicContact CB-CD1 4.3Å; A176-L179 WeakPolarHBondContact O-CB 3.37Å; A176-L179 PolarHBondContact O-N 3.18Å; A176-L179 VanDerWaalsContact O-N 3.08Å; L177-L179 PolarHBondContact O-N 3.26Å; L179-A526 HydrophobicContact CD2-CB 3.51Å
180	L	76.9	Confident	72.1	Confident	19 Å²	19	35.7 Å²	35.7	10%	0.099	19%	0.185	C	C	.	.	H	α-helix	trans	-114.7	-7.4	-168.7	-65	176.6	0	0	0	114.7	P104 F107 L108 A176 L177 Y196	P104-L180 HydrophobicContact CG-CD2 4.42Å; F107-L180 HydrophobicContact CB-CD1 4.3Å; F107-L180 HydrophobicContact CD2-CD2 4.26Å; L108-L180 HydrophobicContact CD1-CD1 3.7Å; L108-L180 HydrophobicContact CD2-CD1 3.93Å; L108-L180 HydrophobicContact CG-CD1 3.65Å; A176-L180 PolarHBondContact O-N 2.65Å; L177-L180 PolarHBondContact O-N 3.2Å; L180-Y196 WeakPolarHBondContact O-CD1 3.49Å; L180-Y196 WeakPolarHBondContact O-CE1 3.35Å
181	C	78.3	Confident	73.7	Confident	5 Å²	5	37.8 Å²	37.8	3%	0.034	20%	0.198	C	C	.	.	S	Bend	trans	-100.6	-7.6	-178	-160.1	0	0	0	0	113.6	L177 K183 C188	L177-C181 WeakPolarHBondContact O-CB 3.27Å; L177-C181 PolarHBondContact O-N 3.32Å; C181-K183 PolarHBondContact O-N 2.75Å; C181-C188 HydrophobicContact CB-CB 3.84Å; C181-C188 WeakPolarHBondContact CB-SG 3.48Å; C181-C188 WeakPolarHBondContact SG-CB 3.5Å; C181-C188 CovalentContact SG-SG 2.04Å; C181-C188 PolarHBondContact SG-SG 3.46Å
182	G	65.2	Low	75.1	Confident	17 Å²	17	37.8 Å²	37.8	18%	0.175	20%	0.195	C	C	.	.	S	Bend	trans	70.8	3.2	-173.8	0	0	0	0	0	114.4	Y196	G182-Y196 VanDerWaalsContact CA-CZ 3.45Å
183	K	68.3	Low	76.5	Confident	113 Å²	113	37.9 Å²	37.9	49%	0.491	20%	0.195	S	C	.	.	S	Bend	trans	-149.5	169.6	179.1	-63.2	-169	173.6	-166.2	0	109.1	C181	C181-K183 PolarHBondContact O-N 2.75Å
184	D	65.4	Low	77.9	Confident	42 Å²	42	36.6 Å²	36.6	23%	0.225	19%	0.188	C	C	.	.			trans	-59.1	146.4	175.5	-170.7	-98.9	0	0	0	112.4	S178 Q186 E187 C188	S178-D184 PolarHBondContact OG-OD2 3.24Å; D184-Q186 PolarHBondContact O-N 2.83Å; D184-Q186 VanDerWaalsContact O-N 3.16Å; D184-Q186 VanDerWaalsContact OD1-CB 3.28Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.32Å; D184-Q186 VanDerWaalsContact OD1-CG 3.27Å; D184-Q186 WeakPolarHBondContact OD1-CG 3.14Å; D184-Q186 PolarHBondContact OD1-N 3.35Å; D184-E187 PolarHBondContact O-N 3.27Å; D184-E187 VanDerWaalsContact O-N 3.09Å; D184-C188 PolarHBondContact O-N 3.31Å; D184-C188 VanDerWaalsContact O-N 3.11Å
185	A	71.1	Confident	78.9	Confident	10 Å²	10	40 Å²	40	8%	0.083	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.8	179.5	0	0	0	0	0	113.7	K175 L177 S178	K175-A185 HydrophobicContact CB-CB 3.82Å; K175-A185 HydrophobicContact CD-CB 3.76Å; K175-A185 HydrophobicContact CG-CB 4.39Å; L177-A185 HydrophobicContact CB-CB 4.34Å; S178-A185 VanDerWaalsContact OG-CB 3.25Å; S178-A185 WeakPolarHBondContact OG-CB 3.3Å; S178-A185 PolarHBondContact OG-N 3.08Å; S178-A185 VanDerWaalsContact OG-N 3.1Å
186	Q	71.3	Confident	79.3	Confident	135 Å²	135	39 Å²	39	63%	0.631	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-32.9	175.9	-64.3	-177.8	38.8	0	0	113	D184 T560	D184-Q186 PolarHBondContact O-N 2.83Å; D184-Q186 VanDerWaalsContact O-N 3.16Å; D184-Q186 VanDerWaalsContact OD1-CB 3.28Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.32Å; D184-Q186 VanDerWaalsContact OD1-CG 3.27Å; D184-Q186 WeakPolarHBondContact OD1-CG 3.14Å; D184-Q186 PolarHBondContact OD1-N 3.35Å; Q186-T560 PolarHBondContact NE2-OG1 3.25Å
187	E	71.8	Confident	79.7	Confident	120 Å²	120	40 Å²	40	56%	0.561	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-5.4	177.2	-61.6	-171.5	176.3	0	0	112.6	D184 N192	D184-E187 PolarHBondContact O-N 3.27Å; D184-E187 VanDerWaalsContact O-N 3.09Å; E187-N192 PolarHBondContact O-ND2 3.28Å
188	C	82.5	Confident	80	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.			trans	-78.4	131.5	177.3	-166	0	0	0	0	110.7	Y161 C181 D184	Y161-C188 HydrophobicContact CE2-CB 4.45Å; Y161-C188 PolarHBondContact OH-O 3Å; C181-C188 HydrophobicContact CB-CB 3.84Å; C181-C188 WeakPolarHBondContact CB-SG 3.48Å; C181-C188 WeakPolarHBondContact SG-CB 3.5Å; C181-C188 CovalentContact SG-SG 2.04Å; C181-C188 PolarHBondContact SG-SG 3.46Å; D184-C188 PolarHBondContact O-N 3.31Å; D184-C188 VanDerWaalsContact O-N 3.11Å
189	N	88.6	Confident	80.6	Confident	92 Å²	92	41 Å²	41	49%	0.492	21%	0.209	S	C	.	.			trans	-127.9	165.2	177.8	-70.4	-7.2	0	0	0	109.4	T191 N192 W193	N189-T191 VanDerWaalsContact C-N 3.26Å; N189-T191 PolarHBondContact O-N 3.07Å; N189-T191 VanDerWaalsContact O-N 3.14Å; N189-N192 WeakPolarHBondContact CA-OD1 3.44Å; N189-N192 PolarHBondContact N-ND2 3.2Å; N189-N192 PolarHBondContact N-OD1 3.08Å; N189-N192 PolarHBondContact O-N 3.36Å; N189-N192 PolarHBondContact O-OD1 3.3Å; N189-W193 WeakPolarHBondContact O-CB 3.32Å; N189-W193 PolarHBondContact O-N 2.81Å; N189-W193 VanDerWaalsContact O-N 3.15Å
190	A	90.3	Very high	81.2	Confident	6 Å²	6	41.1 Å²	41.1	5%	0.05	21%	0.211	C	C	.	.	H	α-helix	trans	-55.6	-38	-179.2	0	0	0	0	0	114.4	N158 Y161 I194	N158-A190 WeakPolarHBondContact OD1-CB 3.5Å; Y161-A190 HydrophobicContact CD1-CB 4.33Å; Y161-A190 HydrophobicContact CG-CB 3.89Å; A190-I194 WeakPolarHBondContact O-CG1 3.5Å
191	T	89.7	Confident	81.1	Confident	47 Å²	47	44.8 Å²	44.8	29%	0.288	23%	0.231	S	C	.	.	H	α-helix	trans	-80.4	-42.1	-176.4	54	0	0	0	0	112.9	N189 W193 I194 Q195 F213	N189-T191 VanDerWaalsContact C-N 3.26Å; N189-T191 PolarHBondContact O-N 3.07Å; N189-T191 VanDerWaalsContact O-N 3.14Å; T191-W193 VanDerWaalsContact C-N 3.33Å; T191-I194 PolarHBondContact O-N 3.15Å; T191-Q195 WeakPolarHBondContact O-CB 3.42Å; T191-Q195 VanDerWaalsContact O-CG 3.23Å; T191-Q195 WeakPolarHBondContact O-CG 3.46Å; T191-Q195 PolarHBondContact O-N 2.89Å; T191-F213 HydrophobicContact CG2-CD1 4.27Å; T191-F213 HydrophobicContact CG2-CD2 3.68Å; T191-F213 HydrophobicContact CG2-CE1 4.35Å; T191-F213 HydrophobicContact CG2-CE2 3.77Å; T191-F213 HydrophobicContact CG2-CG 3.94Å; T191-F213 HydrophobicContact CG2-CZ 4.11Å
192	N	86.3	Confident	80.8	Confident	42 Å²	42	45.5 Å²	45.5	23%	0.225	23%	0.234	C	C	.	.	H	α-helix	trans	-70.9	-33.6	-177	68.5	8.8	0	0	0	111	E187 N189 Q195 Y196	E187-N192 PolarHBondContact O-ND2 3.28Å; N189-N192 WeakPolarHBondContact CA-OD1 3.44Å; N189-N192 PolarHBondContact N-ND2 3.2Å; N189-N192 PolarHBondContact N-OD1 3.08Å; N189-N192 PolarHBondContact O-N 3.36Å; N189-N192 PolarHBondContact O-OD1 3.3Å; N192-Q195 PolarHBondContact O-N 3.2Å; N192-Y196 VanDerWaalsContact O-CB 3.27Å; N192-Y196 WeakPolarHBondContact O-CB 3.48Å; N192-Y196 PolarHBondContact O-N 2.95Å
193	W	89.1	Confident	81.1	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.008	24%	0.241	C	C	.	.	H	α-helix	trans	-60.8	-47.7	174.8	178.9	36.3	0	0	0	111.7	L108 L118 M160 Y161 C164 L177 N189 T191 Y196 M197	L108-W193 HydrophobicContact CD1-CZ2 4.36Å; L118-W193 HydrophobicContact CD1-CH2 4.25Å; L118-W193 HydrophobicContact CD1-CZ2 4.06Å; M160-W193 HydrophobicContact CE-CE3 4.1Å; M160-W193 HydrophobicContact CE-CH2 3.34Å; M160-W193 HydrophobicContact CE-CZ2 4.04Å; M160-W193 HydrophobicContact CE-CZ3 3.39Å; M160-W193 HydrophobicContact CG-CH2 4.32Å; M160-W193 HydrophobicContact CG-CZ3 3.91Å; M160-W193 HydrophobicContact SD-CZ3 4.41Å; Y161-W193 HydrophobicContact CD2-CE3 4.14Å; C164-W193 HydrophobicContact CB-CH2 4.18Å; C164-W193 HydrophobicContact CB-CZ3 4.4Å; L177-W193 HydrophobicContact CD2-CD2 3.75Å; L177-W193 HydrophobicContact CD2-CE3 4.29Å; L177-W193 HydrophobicContact CD2-CG 4.04Å; L177-W193 HydrophobicContact CD2-CH2 4.44Å; L177-W193 HydrophobicContact CD2-CZ2 3.95Å; N189-W193 WeakPolarHBondContact O-CB 3.32Å; N189-W193 PolarHBondContact O-N 2.81Å; N189-W193 VanDerWaalsContact O-N 3.15Å; T191-W193 VanDerWaalsContact C-N 3.33Å; W193-Y196 PolarHBondContact O-N 3.29Å; W193-M197 HydrophobicContact CD2-CE 3.89Å; W193-M197 HydrophobicContact CE3-CE 4.43Å; W193-M197 HydrophobicContact CG-CE 4.18Å; W193-M197 HydrophobicContact CZ2-CE 4.08Å; W193-M197 HydrophobicContact CZ2-SD 4.07Å; W193-M197 WeakPolarHBondContact O-CG 3.43Å; W193-M197 PolarHBondContact O-N 2.85Å
194	I	91.5	Very high	81.6	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67	-41.5	177.9	-67.5	172	0	0	0	111.3	L121 I152 A157 A190 T191 Y196 M197 F198 P211 F213	L121-I194 HydrophobicContact CD2-CD1 4.37Å; L121-I194 HydrophobicContact CD2-CG1 4.18Å; L121-I194 HydrophobicContact CD2-CG2 4.4Å; I152-I194 HydrophobicContact CD1-CG2 3.92Å; A157-I194 HydrophobicContact CB-CD1 3.7Å; A190-I194 WeakPolarHBondContact O-CG1 3.5Å; T191-I194 PolarHBondContact O-N 3.15Å; I194-Y196 VanDerWaalsContact C-N 3.28Å; I194-Y196 PolarHBondContact O-N 2.82Å; I194-M197 HydrophobicContact CB-CE 4.32Å; I194-M197 HydrophobicContact CG1-CE 3.83Å; I194-M197 PolarHBondContact O-N 2.78Å; I194-F198 HydrophobicContact CG2-CD2 3.58Å; I194-F198 HydrophobicContact CG2-CE2 3.35Å; I194-F198 HydrophobicContact CG2-CZ 4.23Å; I194-F198 WeakPolarHBondContact O-CB 3.44Å; I194-F198 WeakPolarHBondContact O-CD2 3.37Å; I194-F198 WeakPolarHBondContact O-CG 3.41Å; I194-F198 PolarHBondContact O-N 3.47Å; I194-F198 VanDerWaalsContact O-N 3.07Å; I194-P211 HydrophobicContact CG2-CB 4.01Å; I194-P211 HydrophobicContact CG2-CG 4.3Å; I194-F213 HydrophobicContact CB-CE1 4.2Å; I194-F213 HydrophobicContact CB-CZ 3.95Å; I194-F213 HydrophobicContact CD1-CE1 3.9Å; I194-F213 HydrophobicContact CD1-CZ 4.48Å; I194-F213 HydrophobicContact CG2-CE1 4.09Å; I194-F213 HydrophobicContact CG2-CZ 3.93Å
195	Q	89.1	Confident	82.5	Confident	95 Å²	95	44 Å²	44	44%	0.444	23%	0.232	S	C	.	.	H	α-helix	trans	-59	-42	174.5	-75.4	169	-22.6	0	0	111.7	T191 N192 F198 S199 P211 F213	T191-Q195 WeakPolarHBondContact O-CB 3.42Å; T191-Q195 VanDerWaalsContact O-CG 3.23Å; T191-Q195 WeakPolarHBondContact O-CG 3.46Å; T191-Q195 PolarHBondContact O-N 2.89Å; N192-Q195 PolarHBondContact O-N 3.2Å; Q195-F198 CarbonylContact O-C 3.59Å; Q195-F198 PolarHBondContact O-N 3.31Å; Q195-S199 PolarHBondContact O-N 3.31Å; Q195-P211 HydrophobicContact CB-CG 4.38Å; Q195-P211 HydrophobicContact CG-CG 3.52Å; Q195-F213 HydrophobicContact CG-CE2 4.21Å
196	Y	84.8	Confident	83.1	Confident	47 Å²	47	45 Å²	45	18%	0.184	24%	0.237	C	C	.	.	H	α-helix	trans	-65.7	-45.2	177.7	175.4	-99.7	0	0	0	112.1	L180 G182 N192 W193 I194 F198 S199 N202 T533	L180-Y196 WeakPolarHBondContact O-CD1 3.49Å; L180-Y196 WeakPolarHBondContact O-CE1 3.35Å; G182-Y196 VanDerWaalsContact CA-CZ 3.45Å; N192-Y196 VanDerWaalsContact O-CB 3.27Å; N192-Y196 WeakPolarHBondContact O-CB 3.48Å; N192-Y196 PolarHBondContact O-N 2.95Å; W193-Y196 PolarHBondContact O-N 3.29Å; I194-Y196 VanDerWaalsContact C-N 3.28Å; I194-Y196 PolarHBondContact O-N 2.82Å; Y196-F198 PolarHBondContact O-N 3.13Å; Y196-S199 PolarHBondContact O-N 2.98Å; Y196-N202 HydrophobicContact CE1-CB 4.19Å; Y196-N202 HydrophobicContact CE2-CB 4.11Å; Y196-N202 PolarHBondContact O-ND2 3.48Å; Y196-T533 WeakPolarHBondContact OH-CB 3.21Å; Y196-T533 WeakPolarHBondContact OH-CG2 3.41Å; Y196-T533 PolarHBondContact OH-OG1 2.76Å; Y196-T533 VanDerWaalsContact OH-OG1 3.14Å
197	M	88.1	Confident	83.9	Confident	21 Å²	21	38.8 Å²	38.8	10%	0.103	21%	0.208	C	C	.	.	H	α-helix	trans	-59.7	-30.2	175	-72.6	-172.3	-66.8	0	0	112.6	L118 L121 F122 M160 W193 I194 N202 T205	L118-M197 HydrophobicContact CD1-CE 3.9Å; L118-M197 HydrophobicContact CD1-SD 3.54Å; L118-M197 VanDerWaalsContact CD1-SD 3.54Å; L121-M197 HydrophobicContact CD2-CE 4.22Å; F122-M197 HydrophobicContact CE2-SD 4.32Å; F122-M197 HydrophobicContact CZ-CB 4.47Å; F122-M197 HydrophobicContact CZ-SD 4.42Å; M160-M197 HydrophobicContact CE-CE 3.89Å; W193-M197 HydrophobicContact CD2-CE 3.89Å; W193-M197 HydrophobicContact CE3-CE 4.43Å; W193-M197 HydrophobicContact CG-CE 4.18Å; W193-M197 HydrophobicContact CZ2-CE 4.08Å; W193-M197 HydrophobicContact CZ2-SD 4.07Å; W193-M197 WeakPolarHBondContact O-CG 3.43Å; W193-M197 PolarHBondContact O-N 2.85Å; I194-M197 HydrophobicContact CB-CE 4.32Å; I194-M197 HydrophobicContact CG1-CE 3.83Å; I194-M197 PolarHBondContact O-N 2.78Å; M197-N202 PolarHBondContact O-ND2 3.12Å; M197-T205 PolarHBondContact O-OG1 2.87Å
198	F	91	Very high	84.7	Confident	1 Å²	1	34.3 Å²	34.3	0%	0.004	19%	0.19	C	C	.	.	H	α-helix	trans	-96	-4.1	-178.7	-71	-23	0	0	0	115	L121 F122 L125 Y150 I152 I194 Q195 Y196 I209 P211	L121-F198 HydrophobicContact CD1-CZ 4.41Å; L121-F198 HydrophobicContact CD2-CZ 3.93Å; L121-F198 HydrophobicContact CG-CZ 4.08Å; F122-F198 HydrophobicContact CD1-CE1 4.25Å; F122-F198 HydrophobicContact CE1-CD1 4.25Å; F122-F198 AromaticContact CE1-CE1 3.6Å; F122-F198 HydrophobicContact CE1-CE1 3.6Å; F122-F198 HydrophobicContact CZ-CE1 4.04Å; L125-F198 HydrophobicContact CD2-CE1 3.8Å; L125-F198 HydrophobicContact CD2-CZ 4.11Å; Y150-F198 AromaticContact CD1-CE2 3.8Å; Y150-F198 HydrophobicContact CD1-CE2 3.8Å; Y150-F198 AromaticContact CD1-CZ 3.88Å; Y150-F198 HydrophobicContact CD1-CZ 3.88Å; Y150-F198 HydrophobicContact CE1-CE2 4.39Å; Y150-F198 HydrophobicContact CE1-CZ 4.15Å; I152-F198 HydrophobicContact CD1-CE2 3.94Å; I194-F198 HydrophobicContact CG2-CD2 3.58Å; I194-F198 HydrophobicContact CG2-CE2 3.35Å; I194-F198 HydrophobicContact CG2-CZ 4.23Å; I194-F198 WeakPolarHBondContact O-CB 3.44Å; I194-F198 WeakPolarHBondContact O-CD2 3.37Å; I194-F198 WeakPolarHBondContact O-CG 3.41Å; I194-F198 PolarHBondContact O-N 3.47Å; I194-F198 VanDerWaalsContact O-N 3.07Å; Q195-F198 CarbonylContact O-C 3.59Å; Q195-F198 PolarHBondContact O-N 3.31Å; Y196-F198 PolarHBondContact O-N 3.13Å; F198-I209 HydrophobicContact CB-CB 3.81Å; F198-I209 HydrophobicContact CB-CG2 4.3Å; F198-I209 VanDerWaalsContact CB-O 3.26Å; F198-I209 WeakPolarHBondContact CB-O 3.41Å; F198-I209 HydrophobicContact CD1-CB 4.18Å; F198-I209 HydrophobicContact CD1-CD1 3.93Å; F198-I209 HydrophobicContact CD1-CG2 4.28Å; F198-I209 HydrophobicContact CD2-CB 4.31Å; F198-I209 HydrophobicContact CD2-CG2 3.86Å; F198-I209 HydrophobicContact CE1-CD1 4.37Å; F198-I209 HydrophobicContact CE2-CG2 4.23Å; F198-I209 HydrophobicContact CG-CB 3.85Å; F198-I209 HydrophobicContact CG-CD1 4.47Å; F198-I209 HydrophobicContact CG-CG2 3.9Å; F198-I209 PolarHBondContact O-N 3.17Å; F198-I209 VanDerWaalsContact O-N 3.08Å; F198-P211 HydrophobicContact CD2-CB 4.05Å; F198-P211 HydrophobicContact CD2-CG 4.16Å; F198-P211 HydrophobicContact CE2-CB 4.34Å
199	S	84.1	Confident	85.2	Confident	27 Å²	27	35.1 Å²	35.1	19%	0.189	19%	0.194	C	C	.	.	S	Bend	trans	-79.3	147.2	173.1	-171.2	0	0	0	0	111.1	Q195 Y196 D201 N202 T205	Q195-S199 PolarHBondContact O-N 3.31Å; Y196-S199 PolarHBondContact O-N 2.98Å; S199-D201 PolarHBondContact O-N 3.4Å; S199-D201 PolarHBondContact OG-N 2.75Å; S199-D201 PolarHBondContact OG-OD2 2.58Å; S199-N202 PolarHBondContact O-ND2 2.97Å; S199-N202 VanDerWaalsContact O-ND2 3.11Å; S199-N202 PolarHBondContact O-OD1 3.38Å; S199-T205 WeakPolarHBondContact O-CB 3.23Å
200	T	82.5	Confident	85.5	Confident	23 Å²	23	33.7 Å²	33.7	14%	0.141	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-71.3	-16.7	170	48.5	0	0	0	0	112.8	K48 N202 G203	K48-T200 HydrophobicContact CD-CG2 4.34Å; T200-N202 PolarHBondContact O-N 3.12Å; T200-G203 PolarHBondContact O-N 3.46Å; T200-G203 VanDerWaalsContact O-N 3.11Å
201	D	73.4	Confident	85.6	Confident	96 Å²	96	34.3 Å²	34.3	51%	0.513	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-67.5	-21	-175.3	-50.4	-32.7	0	0	0	112.4	S199 G203	S199-D201 PolarHBondContact O-N 3.4Å; S199-D201 PolarHBondContact OG-N 2.75Å; S199-D201 PolarHBondContact OG-OD2 2.58Å; D201-G203 PolarHBondContact O-N 3.4Å
202	N	72.1	Confident	85.8	Confident	19 Å²	19	34 Å²	34	10%	0.102	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-74.4	-4.9	175.6	69	23.3	0	0	0	113.7	Y196 M197 S199 T200 Q204 T205	Y196-N202 HydrophobicContact CE1-CB 4.19Å; Y196-N202 HydrophobicContact CE2-CB 4.11Å; Y196-N202 PolarHBondContact O-ND2 3.48Å; M197-N202 PolarHBondContact O-ND2 3.12Å; S199-N202 PolarHBondContact O-ND2 2.97Å; S199-N202 VanDerWaalsContact O-ND2 3.11Å; S199-N202 PolarHBondContact O-OD1 3.38Å; T200-N202 PolarHBondContact O-N 3.12Å; N202-Q204 PolarHBondContact O-N 3.5Å; N202-Q204 VanDerWaalsContact O-N 3.09Å; N202-Q204 WeakPolarHBondContact OD1-CA 3.28Å; N202-Q204 PolarHBondContact OD1-N 3.03Å; N202-T205 PolarHBondContact ND2-OG1 3.37Å; N202-T205 PolarHBondContact OD1-N 2.9Å
203	G	72.9	Confident	86.1	Confident	31 Å²	31	34.3 Å²	34.3	32%	0.32	19%	0.187	S	C	.	.	S	Bend	trans	67.9	2.8	-179.4	0	0	0	0	0	115.4	V49 T200 D201	V49-G203 WeakPolarHBondContact CG1-O 3.33Å; T200-G203 PolarHBondContact O-N 3.46Å; T200-G203 VanDerWaalsContact O-N 3.11Å; D201-G203 PolarHBondContact O-N 3.4Å
204	Q	77.8	Confident	86.2	Confident	94 Å²	94	35.1 Å²	35.1	44%	0.439	19%	0.192	S	C	.	.	S	Bend	trans	-106.3	-38.2	-179.3	-64	-57.4	-31.3	0	0	112.7	K52 N202	K52-Q204 WeakPolarHBondContact CE-O 3.42Å; N202-Q204 PolarHBondContact O-N 3.5Å; N202-Q204 VanDerWaalsContact O-N 3.09Å; N202-Q204 WeakPolarHBondContact OD1-CA 3.28Å; N202-Q204 PolarHBondContact OD1-N 3.03Å
205	T	84.9	Confident	86.1	Confident	16 Å²	16	39 Å²	39	10%	0.098	21%	0.213	C	C	.	.			trans	-83.4	123.3	-174.1	-58.9	0	0	0	0	110.7	V49 M197 S199 N202 F207 I209	V49-T205 WeakPolarHBondContact CG2-O 3.32Å; M197-T205 PolarHBondContact O-OG1 2.87Å; S199-T205 WeakPolarHBondContact O-CB 3.23Å; N202-T205 PolarHBondContact ND2-OG1 3.37Å; N202-T205 PolarHBondContact OD1-N 2.9Å; T205-F207 VanDerWaalsContact C-N 3.32Å; T205-F207 VanDerWaalsContact CG2-O 3.27Å; T205-F207 WeakPolarHBondContact CG2-O 3.2Å; T205-F207 PolarHBondContact O-N 3.18Å; T205-I209 HydrophobicContact CG2-CD1 4.34Å
206	P	84.3	Confident	86.1	Confident	30 Å²	30	39.5 Å²	39.5	20%	0.195	22%	0.222	C	C	.	.	S	Bend	trans	-64.9	-31.5	-172.2	21.2	-31.5	0	0	0	114.2	S46 K52 K53	S46-P206 WeakPolarHBondContact CB-O 3.34Å; S46-P206 PolarHBondContact OG-O 3.43Å; K52-P206 HydrophobicContact CB-CB 3.81Å; K53-P206 WeakPolarHBondContact O-CB 3.49Å
207	F	87.9	Confident	86.3	Confident	5 Å²	5	43 Å²	43	2%	0.022	24%	0.241	C	C	.	.	S	Bend	trans	-153.6	150.7	-175.9	60.7	-96.7	0	0	0	110.5	W39 Y54 V146 V148 T205 I209	W39-F207 HydrophobicContact CE3-CZ 4.31Å; W39-F207 HydrophobicContact CH2-CE2 4.26Å; W39-F207 AromaticContact CH2-CZ 3.8Å; W39-F207 HydrophobicContact CH2-CZ 3.8Å; W39-F207 AromaticContact CZ3-CE2 3.81Å; W39-F207 HydrophobicContact CZ3-CE2 3.81Å; W39-F207 AromaticContact CZ3-CZ 3.44Å; W39-F207 HydrophobicContact CZ3-CZ 3.44Å; W39-F207 VanDerWaalsContact CZ3-CZ 3.44Å; Y54-F207 HydrophobicContact CD1-CB 3.87Å; Y54-F207 AromaticContact CD1-CD1 3.83Å; Y54-F207 HydrophobicContact CD1-CD1 3.83Å; Y54-F207 HydrophobicContact CD1-CG 4.17Å; Y54-F207 HydrophobicContact CE1-CB 3.69Å; Y54-F207 HydrophobicContact CE1-CD1 4.48Å; Y54-F207 HydrophobicContact CE1-CG 4.48Å; V146-F207 WeakPolarHBondContact O-CB 3.21Å; V148-F207 HydrophobicContact CG2-CE2 4.1Å; T205-F207 VanDerWaalsContact C-N 3.32Å; T205-F207 VanDerWaalsContact CG2-O 3.27Å; T205-F207 WeakPolarHBondContact CG2-O 3.2Å; T205-F207 PolarHBondContact O-N 3.18Å; F207-I209 HydrophobicContact CD2-CG1 4.2Å; F207-I209 HydrophobicContact CE2-CD1 4.3Å; F207-I209 HydrophobicContact CE2-CG1 3.81Å; F207-I209 PolarHBondContact O-N 2.69Å
208	P	88.6	Confident	86.2	Confident	27 Å²	27	44.3 Å²	44.3	18%	0.175	25%	0.25	C	C	.	.			trans	-65.6	127.5	-175	26.1	-34.6	0	0	0	111.5	V146 E147 V148	V146-P208 WeakPolarHBondContact O-CD 3.49Å; E147-P208 HydrophobicContact CB-CG 4.47Å; E147-P208 HydrophobicContact CG-CG 4.21Å; V148-P208 PolarHBondContact N-O 3.01Å
209	I	93.1	Very high	85.7	Confident	16 Å²	16	49.1 Å²	49.1	8%	0.082	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.9	168.7	-63.5	149.4	0	0	0	107.3	L125 V148 F198 T205 F207 P211	L125-I209 HydrophobicContact CD1-CG2 4.47Å; L125-I209 HydrophobicContact CD2-CD1 3.83Å; V148-I209 CarbonylContact O-C 3.35Å; V148-I209 WeakPolarHBondContact O-CA 3.27Å; F198-I209 HydrophobicContact CB-CB 3.81Å; F198-I209 HydrophobicContact CB-CG2 4.3Å; F198-I209 VanDerWaalsContact CB-O 3.26Å; F198-I209 WeakPolarHBondContact CB-O 3.41Å; F198-I209 HydrophobicContact CD1-CB 4.18Å; F198-I209 HydrophobicContact CD1-CD1 3.93Å; F198-I209 HydrophobicContact CD1-CG2 4.28Å; F198-I209 HydrophobicContact CD2-CB 4.31Å; F198-I209 HydrophobicContact CD2-CG2 3.86Å; F198-I209 HydrophobicContact CE1-CD1 4.37Å; F198-I209 HydrophobicContact CE2-CG2 4.23Å; F198-I209 HydrophobicContact CG-CB 3.85Å; F198-I209 HydrophobicContact CG-CD1 4.47Å; F198-I209 HydrophobicContact CG-CG2 3.9Å; F198-I209 PolarHBondContact O-N 3.17Å; F198-I209 VanDerWaalsContact O-N 3.08Å; T205-I209 HydrophobicContact CG2-CD1 4.34Å; F207-I209 HydrophobicContact CD2-CG1 4.2Å; F207-I209 HydrophobicContact CE2-CD1 4.3Å; F207-I209 HydrophobicContact CE2-CG1 3.81Å; F207-I209 PolarHBondContact O-N 2.69Å; I209-P211 WeakPolarHBondContact O-CD 3.31Å
210	I	93.5	Very high	85.6	Confident	63 Å²	63	50.6 Å²	50.6	32%	0.323	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	103.1	-177.2	-57.8	175.2	0	0	0	108.1	E147 V148 Q149 Y150	E147-I210 HydrophobicContact CG-CD1 3.96Å; E147-I210 HydrophobicContact CG-CG1 4.37Å; V148-I210 PolarHBondContact O-N 3.19Å; Q149-I210 WeakPolarHBondContact CA-O 3.45Å; Q149-I210 HydrophobicContact CG-CB 4.08Å; Q149-I210 HydrophobicContact CG-CG2 4.4Å; Y150-I210 PolarHBondContact N-O 3.2Å
211	P	93.6	Very high	85.8	Confident	18 Å²	18	52.2 Å²	52.2	12%	0.117	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	131.8	177.5	30.8	-34.6	0	0	0	110.8	Y150 I152 I194 Q195 F198 I209 F213	Y150-P211 CarbonylContact O-C 3.54Å; Y150-P211 WeakPolarHBondContact O-CA 3.13Å; I152-P211 HydrophobicContact CD1-CB 3.86Å; I194-P211 HydrophobicContact CG2-CB 4.01Å; I194-P211 HydrophobicContact CG2-CG 4.3Å; Q195-P211 HydrophobicContact CB-CG 4.38Å; Q195-P211 HydrophobicContact CG-CG 3.52Å; F198-P211 HydrophobicContact CD2-CB 4.05Å; F198-P211 HydrophobicContact CD2-CG 4.16Å; F198-P211 HydrophobicContact CE2-CB 4.34Å; I209-P211 WeakPolarHBondContact O-CD 3.31Å; P211-F213 HydrophobicContact CB-CE1 4.18Å; P211-F213 HydrophobicContact CB-CE2 3.97Å; P211-F213 HydrophobicContact CB-CZ 3.65Å; P211-F213 HydrophobicContact CG-CE2 3.98Å; P211-F213 HydrophobicContact CG-CZ 3.89Å
212	V	92.8	Very high	86.6	Confident	41 Å²	41	50.6 Å²	50.6	25%	0.248	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	109.6	173.8	-178.4	0	0	0	0	108.2	Y150 Y151 I152	Y150-V212 PolarHBondContact O-N 3.16Å; Y151-V212 WeakPolarHBondContact CA-O 3.46Å; Y151-V212 HydrophobicContact CD1-CB 3.65Å; Y151-V212 HydrophobicContact CD1-CG1 3.71Å; Y151-V212 HydrophobicContact CD1-CG2 4.24Å; Y151-V212 HydrophobicContact CE1-CB 3.96Å; Y151-V212 HydrophobicContact CE1-CG1 3.88Å; Y151-V212 HydrophobicContact CE1-CG2 4.1Å; Y151-V212 HydrophobicContact CG-CB 4.41Å; I152-V212 PolarHBondContact N-O 3.48Å
213	F	93.4	Very high	87.6	Confident	49 Å²	49	50.7 Å²	50.7	22%	0.215	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	113.2	-176.3	-55.6	-76.7	0	0	0	111.5	I152 A157 T191 I194 Q195 P211	I152-F213 HydrophobicContact CB-CD1 4.28Å; I152-F213 HydrophobicContact CD1-CE1 4.22Å; I152-F213 WeakPolarHBondContact O-CA 3.45Å; A157-F213 HydrophobicContact CB-CD1 4.09Å; A157-F213 HydrophobicContact CB-CE1 4.12Å; T191-F213 HydrophobicContact CG2-CD1 4.27Å; T191-F213 HydrophobicContact CG2-CD2 3.68Å; T191-F213 HydrophobicContact CG2-CE1 4.35Å; T191-F213 HydrophobicContact CG2-CE2 3.77Å; T191-F213 HydrophobicContact CG2-CG 3.94Å; T191-F213 HydrophobicContact CG2-CZ 4.11Å; I194-F213 HydrophobicContact CB-CE1 4.2Å; I194-F213 HydrophobicContact CB-CZ 3.95Å; I194-F213 HydrophobicContact CD1-CE1 3.9Å; I194-F213 HydrophobicContact CD1-CZ 4.48Å; I194-F213 HydrophobicContact CG2-CE1 4.09Å; I194-F213 HydrophobicContact CG2-CZ 3.93Å; Q195-F213 HydrophobicContact CG-CE2 4.21Å; P211-F213 HydrophobicContact CB-CE1 4.18Å; P211-F213 HydrophobicContact CB-CE2 3.97Å; P211-F213 HydrophobicContact CB-CZ 3.65Å; P211-F213 HydrophobicContact CG-CE2 3.98Å; P211-F213 HydrophobicContact CG-CZ 3.89Å
214	S	90.9	Very high	88.5	Confident	18 Å²	18	49.4 Å²	49.4	13%	0.126	29%	0.288	C	S	.	.			trans	-154.4	141.8	175.8	-179.1	0	0	0	0	110.3	I152 G153 V216 V218 P223	I152-S214 PolarHBondContact O-N 3.42Å; G153-S214 WeakPolarHBondContact CA-O 3.47Å; S214-V216 WeakPolarHBondContact OG-CG2 3.36Å; S214-V216 PolarHBondContact OG-N 3.05Å; S214-V216 VanDerWaalsContact OG-N 3.15Å; S214-V216 PolarHBondContact OG-O 3.36Å; S214-V218 WeakPolarHBondContact OG-CG2 3.35Å; S214-P223 WeakPolarHBondContact O-CB 3.27Å; S214-P223 WeakPolarHBondContact O-CG 3.37Å
215	D	89.8	Confident	89	Confident	82 Å²	82	49 Å²	49	44%	0.439	29%	0.289	S	S	.	.	S	Bend	trans	-91	-9.8	170.3	-65	-48.1	0	0	0	112.6	K154 T155	K154-D215 PolarHBondContact N-OD1 3.34Å; T155-D215 PolarHBondContact N-OD1 2.99Å; T155-D215 PolarHBondContact OG1-OD1 2.72Å
216	V	89.8	Confident	89.2	Confident	105 Å²	105	51.6 Å²	51.6	64%	0.636	30%	0.302	S	S	*	.	S	Bend	trans	-110.8	156.4	178.2	-64.1	0	0	0	0	110.6	S214 V218 P223	S214-V216 WeakPolarHBondContact OG-CG2 3.36Å; S214-V216 PolarHBondContact OG-N 3.05Å; S214-V216 VanDerWaalsContact OG-N 3.15Å; S214-V216 PolarHBondContact OG-O 3.36Å; V216-V218 WeakPolarHBondContact O-CG2 3.37Å; V216-V218 PolarHBondContact O-N 3.49Å; V216-P223 WeakPolarHBondContact O-CG 3.45Å
217	E	87.6	Confident	89.3	Confident	121 Å²	121	56.2 Å²	56.2	57%	0.565	32%	0.319	S	S	*	.			trans	-59.9	126.9	176.1	-163.1	-178.4	160	0	0	110.6	G220 Y221 T222	E217-G220 WeakPolarHBondContact OE1-CA 3.35Å; E217-Y221 WeakPolarHBondContact CA-O 3.4Å; E217-Y221 VanDerWaalsContact CG-O 3.29Å; E217-Y221 WeakPolarHBondContact CG-O 3.4Å; E217-T222 HydrophobicContact CG-CG2 3.94Å
218	V	85.7	Confident	89.4	Confident	48 Å²	48	57.8 Å²	57.8	29%	0.291	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-123.1	125.6	179.7	-177.7	0	0	0	0	108.3	S214 V216 G220 Y221	S214-V218 WeakPolarHBondContact OG-CG2 3.35Å; V216-V218 WeakPolarHBondContact O-CG2 3.37Å; V216-V218 PolarHBondContact O-N 3.49Å; V218-G220 PolarHBondContact O-N 3.11Å; V218-G220 VanDerWaalsContact O-N 3.17Å; V218-Y221 PolarHBondContact N-O 3.31Å; V218-Y221 VanDerWaalsContact N-O 3.1Å; V218-Y221 PolarHBondContact O-N 2.92Å
219	S	81.1	Confident	89.6	Confident	102 Å²	102	57.2 Å²	57.2	71%	0.713	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	30.6	177.4	-56.3	0	0	0	0	114.8	Y221	S219-Y221 VanDerWaalsContact C-N 3.32Å; S219-Y221 WeakPolarHBondContact O-CD2 3.37Å
220	G	82.6	Confident	89.5	Confident	59 Å²	59	58.5 Å²	58.5	61%	0.608	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	3.3	-179	0	0	0	0	0	115.1	E217 V218	E217-G220 WeakPolarHBondContact OE1-CA 3.35Å; V218-G220 PolarHBondContact O-N 3.11Å; V218-G220 VanDerWaalsContact O-N 3.17Å
221	Y	87	Confident	89.3	Confident	56 Å²	56	56 Å²	56	22%	0.22	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-102.3	130.3	174.8	-63.8	-85.1	0	0	0	110.2	Q133 N136 Y151 E217 V218 S219 P223	Q133-Y221 CarbonylContact O-C 3.41Å; Q133-Y221 WeakPolarHBondContact O-CA 3.26Å; N136-Y221 HydrophobicContact CB-CE1 3.97Å; N136-Y221 HydrophobicContact CB-CE2 4.22Å; N136-Y221 VanDerWaalsContact CG-OH 3.31Å; N136-Y221 PolarHBondContact OD1-OH 3.48Å; Y151-Y221 HydrophobicContact CD2-CD1 4.25Å; Y151-Y221 HydrophobicContact CD2-CD2 4.34Å; Y151-Y221 AromaticContact CD2-CG 3.8Å; Y151-Y221 HydrophobicContact CD2-CG 3.8Å; Y151-Y221 HydrophobicContact CE2-CD1 4.01Å; Y151-Y221 AromaticContact CE2-CD2 3.54Å; Y151-Y221 HydrophobicContact CE2-CD2 3.54Å; Y151-Y221 HydrophobicContact CE2-CE2 4.18Å; Y151-Y221 AromaticContact CE2-CG 3.44Å; Y151-Y221 HydrophobicContact CE2-CG 3.44Å; Y151-Y221 VanDerWaalsContact CE2-CG 3.44Å; Y151-Y221 AromaticContact CZ-CD2 3.72Å; E217-Y221 WeakPolarHBondContact CA-O 3.4Å; E217-Y221 VanDerWaalsContact CG-O 3.29Å; E217-Y221 WeakPolarHBondContact CG-O 3.4Å; V218-Y221 PolarHBondContact N-O 3.31Å; V218-Y221 VanDerWaalsContact N-O 3.1Å; V218-Y221 PolarHBondContact O-N 2.92Å; S219-Y221 VanDerWaalsContact C-N 3.32Å; S219-Y221 WeakPolarHBondContact O-CD2 3.37Å; Y221-P223 WeakPolarHBondContact O-CD 3.44Å
222	T	90.5	Very high	89.1	Confident	62 Å²	62	58.4 Å²	58.4	38%	0.38	34%	0.339	S	S	.	.			trans	-91.1	112.7	175.9	51.1	0	0	0	0	109	Q133 F134 E217	Q133-T222 PolarHBondContact O-N 2.87Å; Q133-T222 PolarHBondContact O-OG1 3.21Å; F134-T222 VanDerWaalsContact CB-O 3.31Å; F134-T222 WeakPolarHBondContact CB-O 3.47Å; E217-T222 HydrophobicContact CG-CG2 3.94Å
223	P	91.6	Very high	88.8	Confident	22 Å²	22	60.9 Å²	60.9	14%	0.143	35%	0.348	C	S	.	.			trans	-59.3	145.6	-177.2	-24.2	34.7	0	0	0	113.1	Y151 S214 V216 Y221 N225	Y151-P223 WeakPolarHBondContact O-CA 3.24Å; S214-P223 WeakPolarHBondContact O-CB 3.27Å; S214-P223 WeakPolarHBondContact O-CG 3.37Å; V216-P223 WeakPolarHBondContact O-CG 3.45Å; Y221-P223 WeakPolarHBondContact O-CD 3.44Å; P223-N225 PolarHBondContact O-N 3.37Å
224	M	91.9	Very high	88.3	Confident	4 Å²	4	60.2 Å²	60.2	2%	0.02	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-66.8	124.4	176.3	-176.7	-81.6	-80.6	0	0	110.3	L121 E124 F134 Y150 Y151 G153 F156 N226	L121-M224 HydrophobicContact CD1-CE 3.86Å; E124-M224 HydrophobicContact CB-CE 4.17Å; E124-M224 HydrophobicContact CB-CG 3.95Å; E124-M224 HydrophobicContact CG-CE 4.31Å; E124-M224 HydrophobicContact CG-CG 3.78Å; E124-M224 HydrophobicContact CG-SD 4.18Å; F134-M224 HydrophobicContact CB-CB 4.27Å; F134-M224 HydrophobicContact CD1-CB 4.18Å; F134-M224 HydrophobicContact CG-CB 4.08Å; Y150-M224 HydrophobicContact CE2-CB 4.22Å; Y150-M224 WeakPolarHBondContact OH-CE 3.33Å; Y151-M224 PolarHBondContact O-N 3.05Å; G153-M224 PolarHBondContact N-O 2.99Å; F156-M224 HydrophobicContact CD1-CE 4.03Å; F156-M224 HydrophobicContact CD1-SD 4.46Å; F156-M224 HydrophobicContact CD2-CE 4.41Å; F156-M224 HydrophobicContact CD2-SD 3.96Å; F156-M224 HydrophobicContact CE1-CE 3.69Å; F156-M224 HydrophobicContact CE1-SD 4.47Å; F156-M224 HydrophobicContact CE2-CE 4.08Å; F156-M224 HydrophobicContact CE2-SD 3.95Å; F156-M224 HydrophobicContact CG-CE 4.39Å; F156-M224 HydrophobicContact CG-SD 4.23Å; F156-M224 HydrophobicContact CZ-CE 3.72Å; F156-M224 HydrophobicContact CZ-SD 4.22Å; M224-N226 HydrophobicContact SD-CB 4.17Å
225	N	89.4	Confident	88	Confident	85 Å²	85	60.5 Å²	60.5	46%	0.455	36%	0.355	S	S	.	.			trans	-144.7	59.1	-180	-162.6	16.3	0	0	0	111.6	T155 F156 P223	T155-N225 PolarHBondContact OG1-ND2 2.98Å; T155-N225 PolarHBondContact OG1-OD1 3.41Å; F156-N225 WeakPolarHBondContact CB-OD1 3.28Å; P223-N225 PolarHBondContact O-N 3.37Å
226	N	88	Confident	87.1	Confident	70 Å²	70	63.9 Å²	63.9	37%	0.374	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-71.2	166	178.6	-81.5	19.9	0	0	0	112.4	E124 M224 T228	E124-N226 PolarHBondContact OE1-ND2 2.99Å; M224-N226 HydrophobicContact SD-CB 4.17Å; N226-T228 PolarHBondContact O-N 3.32Å
227	K	87.1	Confident	85.9	Confident	128 Å²	128	63.2 Å²	63.2	56%	0.557	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-56.9	124.4	175.3	-176.2	-177.6	174.8	-171.9	0	110.4	Y229 E236	K227-Y229 PolarHBondContact NZ-OH 3.38Å; K227-E236 IonicContact NZ-OE1 3.73Å; K227-E236 PolarHBondContact NZ-OE1 3.12Å
228	T	90.6	Very high	84.8	Confident	38 Å²	38	61 Å²	61	23%	0.233	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-103.7	156.1	170.3	52.9	0	0	0	0	110.1	N117 F156 A159 N226	N117-T228 WeakPolarHBondContact OD1-CA 3.26Å; F156-T228 HydrophobicContact CD2-CG2 3.33Å; F156-T228 HydrophobicContact CE2-CG2 3.48Å; F156-T228 VanDerWaalsContact CE2-CG2 3.48Å; F156-T228 HydrophobicContact CG-CG2 4.12Å; F156-T228 HydrophobicContact CZ-CG2 4.35Å; A159-T228 HydrophobicContact CB-CG2 4.13Å; A159-T228 WeakPolarHBondContact CB-OG1 3.29Å; N226-T228 PolarHBondContact O-N 3.32Å
229	Y	91.1	Very high	84.2	Confident	15 Å²	15	60.4 Å²	60.4	6%	0.059	37%	0.369	C	S	.	.			trans	-109.4	134.4	173.4	-69	-95.8	0	0	0	109.6	Y116 N117 K227 L235 E236	Y116-Y229 AromaticContact CD1-CD2 3.52Å; Y116-Y229 HydrophobicContact CD1-CD2 3.52Å; Y116-Y229 AromaticContact CD1-CE2 3.89Å; Y116-Y229 HydrophobicContact CD1-CE2 3.89Å; Y116-Y229 AromaticContact CE1-CD2 3.39Å; Y116-Y229 HydrophobicContact CE1-CD2 3.39Å; Y116-Y229 AromaticContact CE1-CE2 3.28Å; Y116-Y229 HydrophobicContact CE1-CE2 3.28Å; Y116-Y229 AromaticContact CZ-CE2 3.9Å; N117-Y229 PolarHBondContact ND2-O 3.31Å; N117-Y229 PolarHBondContact OD1-N 3.46Å; K227-Y229 PolarHBondContact NZ-OH 3.38Å; Y229-L235 HydrophobicContact CD1-CD2 4.14Å; Y229-L235 HydrophobicContact CD2-CD2 3.88Å; Y229-L235 HydrophobicContact CE2-CD2 4.29Å; Y229-L235 HydrophobicContact CG-CD2 3.8Å; Y229-E236 PolarHBondContact OH-OE1 3.07Å
230	A	91.1	Very high	84	Confident	42 Å²	42	57 Å²	57	35%	0.347	35%	0.35	S	S	.	.			trans	-72.6	158.7	172.3	0	0	0	0	0	110.8	S113 T232 E233	S113-A230 WeakPolarHBondContact CB-O 3.34Å; S113-A230 PolarHBondContact OG-O 3.27Å; A230-T232 PolarHBondContact O-N 3.01Å; A230-T232 VanDerWaalsContact O-N 3.16Å; A230-E233 HydrophobicContact CB-CG 4.16Å; A230-E233 PolarHBondContact N-OE2 3.43Å; A230-E233 PolarHBondContact O-N 2.97Å
231	C	89.4	Confident	84.1	Confident	10 Å²	10	57.4 Å²	57.4	7%	0.068	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.3	177.5	64	0	0	0	0	113.7	S113 A163 C242 C247	S113-C231 WeakPolarHBondContact OG-CA 3.47Å; A163-C231 HydrophobicContact CB-CB 4.44Å; C231-C242 HydrophobicContact CB-CB 4.2Å; C231-C242 VanDerWaalsContact O-CB 3.31Å; C231-C242 WeakPolarHBondContact O-CB 3.11Å; C231-C242 PolarHBondContact O-N 3.41Å; C231-C247 HydrophobicContact CB-CB 3.57Å; C231-C247 WeakPolarHBondContact CB-SG 3.48Å; C231-C247 WeakPolarHBondContact SG-CB 3.37Å; C231-C247 CovalentContact SG-SG 2.04Å; C231-C247 PolarHBondContact SG-SG 3.49Å
232	T	88.9	Confident	84	Confident	69 Å²	69	55 Å²	55	42%	0.423	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-7.3	174.6	56.1	0	0	0	0	114.2	A230 P241 A249 A250	A230-T232 PolarHBondContact O-N 3.01Å; A230-T232 VanDerWaalsContact O-N 3.16Å; T232-P241 WeakPolarHBondContact O-CB 3.2Å; T232-A249 HydrophobicContact CG2-CB 4.12Å; T232-A250 HydrophobicContact CG2-CB 4.17Å
233	E	88	Confident	83.7	Confident	93 Å²	93	52.9 Å²	52.9	44%	0.435	32%	0.321	S	S	.	.	S	Bend	trans	-103.2	140	-177.5	-66.6	177	169.2	0	0	111	A230	A230-E233 HydrophobicContact CB-CG 4.16Å; A230-E233 PolarHBondContact N-OE2 3.43Å; A230-E233 PolarHBondContact O-N 2.97Å
234	G	83.4	Confident	83.2	Confident	36 Å²	36	52.9 Å²	52.9	37%	0.371	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-80.4	153.9	171.2	0	0	0	0	0	112	S239	G234-S239 CarbonylContact C-O 3.39Å; G234-S239 WeakPolarHBondContact CA-O 3.27Å
235	L	82.6	Confident	82.6	Confident	23 Å²	23	52.9 Å²	52.9	12%	0.12	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-81.7	156	176.5	-64.2	178.5	0	0	0	111.5	P112 Y116 Y229 D237 G238 S239	P112-L235 HydrophobicContact CB-CD1 3.61Å; P112-L235 HydrophobicContact CB-CG 4.3Å; Y116-L235 HydrophobicContact CD1-CD2 4.09Å; Y116-L235 HydrophobicContact CD2-CD1 4.48Å; Y116-L235 HydrophobicContact CD2-CD2 4.31Å; Y116-L235 HydrophobicContact CG-CD1 4.44Å; Y116-L235 HydrophobicContact CG-CD2 3.85Å; Y229-L235 HydrophobicContact CD1-CD2 4.14Å; Y229-L235 HydrophobicContact CD2-CD2 3.88Å; Y229-L235 HydrophobicContact CE2-CD2 4.29Å; Y229-L235 HydrophobicContact CG-CD2 3.8Å; L235-D237 VanDerWaalsContact CB-OD1 3.26Å; L235-D237 WeakPolarHBondContact CB-OD1 3.07Å; L235-D237 PolarHBondContact O-N 3.25Å; L235-G238 PolarHBondContact O-N 2.95Å; L235-S239 PolarHBondContact N-O 3.4Å
236	E	70.8	Confident	82.4	Confident	153 Å²	153	48.8 Å²	48.8	72%	0.715	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-11.6	179.1	-67.1	175.5	-158.9	0	0	113.3	K227 Y229 G238	K227-E236 IonicContact NZ-OE1 3.73Å; K227-E236 PolarHBondContact NZ-OE1 3.12Å; Y229-E236 PolarHBondContact OH-OE1 3.07Å; E236-G238 VanDerWaalsContact C-N 3.26Å; E236-G238 PolarHBondContact O-N 2.94Å
237	D	65.8	Low	82.4	Confident	92 Å²	92	45.5 Å²	45.5	49%	0.492	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	3.2	177.3	75.3	-13.2	0	0	0	114	L235 S239 K992	L235-D237 VanDerWaalsContact CB-OD1 3.26Å; L235-D237 WeakPolarHBondContact CB-OD1 3.07Å; L235-D237 PolarHBondContact O-N 3.25Å; D237-S239 VanDerWaalsContact OD1-CB 3.26Å; D237-S239 WeakPolarHBondContact OD1-CB 3.23Å; D237-S239 PolarHBondContact OD1-N 2.94Å; D237-S239 PolarHBondContact OD1-OG 3.11Å; D237-S239 PolarHBondContact OD2-OG 3.13Å; D237-K992 IonicContact OD2-NZ 3.76Å
238	G	64.7	Low	82.2	Confident	74 Å²	74	42 Å²	42	76%	0.763	28%	0.276	S	S	*	.	S	Bend	trans	94	-0.2	-178.5	0	0	0	0	0	114.4	L235 E236	L235-G238 PolarHBondContact O-N 2.95Å; E236-G238 VanDerWaalsContact C-N 3.26Å; E236-G238 PolarHBondContact O-N 2.94Å
239	S	72.8	Confident	81.9	Confident	36 Å²	36	43.8 Å²	43.8	25%	0.252	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-71.3	129.5	173.9	-50.7	0	0	0	0	111.1	G234 L235 D237	G234-S239 CarbonylContact C-O 3.39Å; G234-S239 WeakPolarHBondContact CA-O 3.27Å; L235-S239 PolarHBondContact N-O 3.4Å; D237-S239 VanDerWaalsContact OD1-CB 3.26Å; D237-S239 WeakPolarHBondContact OD1-CB 3.23Å; D237-S239 PolarHBondContact OD1-N 2.94Å; D237-S239 PolarHBondContact OD1-OG 3.11Å; D237-S239 PolarHBondContact OD2-OG 3.13Å
240	G	76.2	Confident	81.6	Confident	31 Å²	31	45 Å²	45	32%	0.32	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-68.6	168	178.4	0	0	0	0	0	114
241	P	84.7	Confident	80.9	Confident	66 Å²	66	45 Å²	45	43%	0.429	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-64.4	161	173.7	30.1	-36	0	0	0	111.7	T232	T232-P241 WeakPolarHBondContact O-CB 3.2Å
242	C	86.1	Confident	80.1	Confident	6 Å²	6	47.3 Å²	47.3	4%	0.041	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-66.6	148.8	-179.5	-54.7	0	0	0	0	111.5	C111 S113 C231 C247	C111-C242 WeakPolarHBondContact CA-SG 3.43Å; C111-C242 HydrophobicContact CB-CB 3.86Å; C111-C242 WeakPolarHBondContact CB-SG 3.29Å; C111-C242 WeakPolarHBondContact SG-CB 3.23Å; C111-C242 CovalentContact SG-SG 2.03Å; C111-C242 PolarHBondContact SG-SG 3.42Å; S113-C242 PolarHBondContact OG-SG 3.11Å; C231-C242 HydrophobicContact CB-CB 4.2Å; C231-C242 VanDerWaalsContact O-CB 3.31Å; C231-C242 WeakPolarHBondContact O-CB 3.11Å; C231-C242 PolarHBondContact O-N 3.41Å; C242-C247 HydrophobicContact CB-CB 3.9Å
243	S	83.6	Confident	79.4	Confident	17 Å²	17	50.2 Å²	50.2	12%	0.119	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-70.9	161.8	177.9	72.5	0	0	0	0	111.1	Q245 D246 C247 G915	S243-Q245 PolarHBondContact O-N 2.95Å; S243-D246 CarbonylContact O-C 3.53Å; S243-D246 PolarHBondContact O-N 2.65Å; S243-D246 VanDerWaalsContact O-N 3.08Å; S243-D246 PolarHBondContact OG-OD2 3.42Å; S243-C247 PolarHBondContact O-N 2.93Å; S243-G915 VanDerWaalsContact CB-O 3.25Å; S243-G915 WeakPolarHBondContact CB-O 3.36Å; S243-G915 PolarHBondContact OG-O 2.96Å
244	C	82.1	Confident	78.5	Confident	22 Å²	22	53.9 Å²	53.9	15%	0.149	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-31.8	176.4	162.9	0	0	0	0	112.4	D246 C247 C251 Q926	C244-D246 VanDerWaalsContact C-N 3.29Å; C244-D246 PolarHBondContact O-N 2.92Å; C244-C247 CarbonylContact O-C 3.57Å; C244-C251 VanDerWaalsContact C-SG 3.53Å; C244-C251 WeakPolarHBondContact CA-SG 3.49Å; C244-C251 HydrophobicContact CB-CB 4.03Å; C244-C251 WeakPolarHBondContact CB-SG 3.42Å; C244-C251 PolarHBondContact O-SG 3.2Å; C244-C251 VanDerWaalsContact SG-CA 3.57Å; C244-C251 WeakPolarHBondContact SG-CB 3.46Å; C244-C251 CovalentContact SG-SG 2.03Å; C244-C251 PolarHBondContact SG-SG 2.73Å; C244-Q926 PolarHBondContact SG-NE2 3.43Å
245	Q	79.1	Confident	78.1	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.019	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-38.2	174.6	-174.6	175.4	10	0	0	112.1	Q168 S243 Y929	Q168-Q245 HydrophobicContact CB-CG 4.38Å; Q168-Q245 HydrophobicContact CG-CG 3.79Å; Q168-Q245 WeakPolarHBondContact CG-O 3.48Å; S243-Q245 PolarHBondContact O-N 2.95Å; Q245-Y929 HydrophobicContact CG-CD2 4.23Å; Q245-Y929 HydrophobicContact CG-CE2 4.32Å; Q245-Y929 HydrophobicContact CG-CG 4.5Å
246	D	84.1	Confident	77.8	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-2.7	-175	-65.3	-50.2	0	0	0	113.7	R110 C111 D166 V167 Q168 S243 C244	R110-D246 IonicContact CZ-OD2 3.78Å; R110-D246 IonicContact NE-OD1 3.48Å; R110-D246 PolarHBondContact NE-OD1 3.23Å; R110-D246 IonicContact NE-OD2 2.84Å; R110-D246 PolarHBondContact NE-OD2 2.88Å; R110-D246 IonicContact NH2-OD2 2.95Å; C111-D246 HydrophobicContact CB-CB 4.48Å; D166-D246 CarbonylContact C-O 3.5Å; V167-D246 HydrophobicContact CG2-CB 4.47Å; V167-D246 PolarHBondContact N-O 3.04Å; Q168-D246 PolarHBondContact N-OD1 3.19Å; S243-D246 CarbonylContact O-C 3.53Å; S243-D246 PolarHBondContact O-N 2.65Å; S243-D246 VanDerWaalsContact O-N 3.08Å; S243-D246 PolarHBondContact OG-OD2 3.42Å; C244-D246 VanDerWaalsContact C-N 3.29Å; C244-D246 PolarHBondContact O-N 2.92Å
247	C	87.8	Confident	78.2	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	38%	0.379	C	S	.	.			trans	-153.5	103.4	-179.7	171	0	0	0	0	109.7	C231 C242 S243 C244 A249 A250	C231-C247 HydrophobicContact CB-CB 3.57Å; C231-C247 WeakPolarHBondContact CB-SG 3.48Å; C231-C247 WeakPolarHBondContact SG-CB 3.37Å; C231-C247 CovalentContact SG-SG 2.04Å; C231-C247 PolarHBondContact SG-SG 3.49Å; C242-C247 HydrophobicContact CB-CB 3.9Å; S243-C247 PolarHBondContact O-N 2.93Å; C244-C247 CarbonylContact O-C 3.57Å; C247-A249 PolarHBondContact O-N 3.28Å; C247-A250 HydrophobicContact CB-CB 4.01Å; C247-A250 WeakPolarHBondContact O-CB 3.26Å; C247-A250 PolarHBondContact O-N 2.91Å; C247-A250 PolarHBondContact SG-N 3.02Å; C247-A250 VanDerWaalsContact SG-N 3.41Å
248	A	83.4	Confident	78.8	Confident	54 Å²	54	54.2 Å²	54.2	45%	0.446	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-63.5	-28.4	-178.6	0	0	0	0	0	112.4	D166 A250 C251	D166-A248 VanDerWaalsContact OD2-CB 3.24Å; D166-A248 WeakPolarHBondContact OD2-CB 3.49Å; D166-A248 PolarHBondContact OD2-N 3.38Å; A248-A250 PolarHBondContact O-N 2.86Å; A248-C251 VanDerWaalsContact O-CB 3.27Å; A248-C251 WeakPolarHBondContact O-CB 3.48Å; A248-C251 PolarHBondContact O-N 3.5Å; A248-C251 VanDerWaalsContact O-N 3.14Å
249	A	84.6	Confident	79.3	Confident	77 Å²	77	56.6 Å²	56.6	64%	0.636	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-69.2	-20	175.7	0	0	0	0	0	113.6	T232 C247 C251	T232-A249 HydrophobicContact CG2-CB 4.12Å; C247-A249 PolarHBondContact O-N 3.28Å; A249-C251 VanDerWaalsContact C-N 3.31Å
250	A	83.5	Confident	79.2	Confident	41 Å²	41	61.9 Å²	61.9	34%	0.339	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-82.8	-10.7	173.1	0	0	0	0	0	112.4	T232 C247 A248	T232-A250 HydrophobicContact CG2-CB 4.17Å; C247-A250 HydrophobicContact CB-CB 4.01Å; C247-A250 WeakPolarHBondContact O-CB 3.26Å; C247-A250 PolarHBondContact O-N 2.91Å; C247-A250 PolarHBondContact SG-N 3.02Å; C247-A250 VanDerWaalsContact SG-N 3.41Å; A248-A250 PolarHBondContact O-N 2.86Å
251	C	77.7	Confident	79.1	Confident	40 Å²	40	65.7 Å²	65.7	27%	0.27	42%	0.424	S	S	.	.	S	Bend	trans	-77.2	152.4	178.8	-60.2	0	0	0	0	112.9	C244 A248 A249	C244-C251 VanDerWaalsContact C-SG 3.53Å; C244-C251 WeakPolarHBondContact CA-SG 3.49Å; C244-C251 HydrophobicContact CB-CB 4.03Å; C244-C251 WeakPolarHBondContact CB-SG 3.42Å; C244-C251 PolarHBondContact O-SG 3.2Å; C244-C251 VanDerWaalsContact SG-CA 3.57Å; C244-C251 WeakPolarHBondContact SG-CB 3.46Å; C244-C251 CovalentContact SG-SG 2.03Å; C244-C251 PolarHBondContact SG-SG 2.73Å; A248-C251 VanDerWaalsContact O-CB 3.27Å; A248-C251 WeakPolarHBondContact O-CB 3.48Å; A248-C251 PolarHBondContact O-N 3.5Å; A248-C251 VanDerWaalsContact O-N 3.14Å; A249-C251 VanDerWaalsContact C-N 3.31Å
252	G	71.9	Confident	78.6	Confident	60 Å²	60	67.9 Å²	67.9	62%	0.619	44%	0.438	S	S	*	.			trans	-67.5	179.3	160.2	0	0	0	0	0	112.3	K254	G252-K254 PolarHBondContact O-N 3.39Å
253	P	73.7	Confident	78.3	Confident	129 Å²	129	72.5 Å²	72.5	84%	0.838	47%	0.468	S	S	*	.	S	Bend	trans	-56.8	141.6	175	25.5	-33.9	0	0	0	110.8
254	K	70.5	Confident	78.5	Confident	170 Å²	170	79.6 Å²	79.6	74%	0.739	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-53.7	135.9	177.5	-70.2	-172.3	177.5	-173.8	0	110	G252 V256	G252-K254 PolarHBondContact O-N 3.39Å; K254-V256 PolarHBondContact O-N 2.93Å
255	P	73.8	Confident	78.8	Confident	56 Å²	56	82.3 Å²	82.3	36%	0.364	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-61.5	129.5	176.7	25.4	-31.6	0	0	0	108.9	I934	P255-I934 HydrophobicContact CB-CD1 4.49Å; P255-I934 HydrophobicContact CG-CG2 4.26Å; P255-I934 WeakPolarHBondContact O-CG2 3.48Å
256	V	78	Confident	79.4	Confident	127 Å²	127	85 Å²	85	77%	0.77	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-99.8	127.6	172.8	-176.2	0	0	0	0	106.5	K254	K254-V256 PolarHBondContact O-N 2.93Å
257	P	77.4	Confident	79.6	Confident	55 Å²	55	92.5 Å²	92.5	36%	0.357	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-59.1	143.7	177.4	25.3	-33.5	0	0	0	109.7	Y937	P257-Y937 HydrophobicContact CB-CD1 4.21Å; P257-Y937 HydrophobicContact CB-CD2 4.05Å; P257-Y937 HydrophobicContact CB-CG 3.79Å
258	P	79	Confident	79.5	Confident	73 Å²	73	96 Å²	96	47%	0.474	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-59.4	141.2	173.1	26.6	-33.2	0	0	0	109.1	L260 Y937	P258-L260 PolarHBondContact O-N 2.72Å; P258-Y937 HydrophobicContact CG-CE1 4.43Å; P258-Y937 HydrophobicContact CG-CE2 4.3Å; P258-Y937 WeakPolarHBondContact CG-OH 3.48Å
259	P	75	Confident	79.6	Confident	124 Å²	124	98.8 Å²	98.8	81%	0.805	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-60.4	136.5	177.4	25.8	-33.3	0	0	0	109.6
260	L	71.5	Confident	79.8	Confident	147 Å²	147	97.3 Å²	97.3	77%	0.77	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-54.8	139.1	173.5	-69.4	171.5	0	0	0	109.3	P258	P258-L260 PolarHBondContact O-N 2.72Å
261	P	74.1	Confident	80.2	Confident	112 Å²	112	95.4 Å²	95.4	73%	0.727	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-57.9	127.9	176.3	24.1	-31.9	0	0	0	108.4
262	P	74.2	Confident	80.8	Confident	112 Å²	112	95.6 Å²	95.6	73%	0.727	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-60.3	141	-178.6	24.6	-33.1	0	0	0	109.4	W264	P262-W264 PolarHBondContact O-N 3.48Å
263	P	79.3	Confident	81.7	Confident	102 Å²	102	94.8 Å²	94.8	66%	0.662	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-58	136.3	177.5	25	-33.3	0	0	0	109	T265	P263-T265 HydrophobicContact CB-CG2 4.28Å; P263-T265 HydrophobicContact CG-CG2 4.28Å; P263-T265 PolarHBondContact O-N 3.38Å; P263-T265 PolarHBondContact O-OG1 3Å
264	W	87.4	Confident	82.6	Confident	167 Å²	167	89.3 Å²	89.3	63%	0.633	51%	0.514	S	S	*	.			trans	-68.3	100.4	-179.2	-173	31.1	0	0	0	109.1	P262 A271 I275	P262-W264 PolarHBondContact O-N 3.48Å; W264-A271 HydrophobicContact CB-CB 4.25Å; W264-A271 HydrophobicContact CD2-CB 3.42Å; W264-A271 VanDerWaalsContact CD2-CB 3.42Å; W264-A271 HydrophobicContact CE3-CB 3.85Å; W264-A271 HydrophobicContact CG-CB 3.59Å; W264-A271 HydrophobicContact CZ2-CB 4.23Å; W264-A271 HydrophobicContact CZ3-CB 4.41Å; W264-A271 WeakPolarHBondContact O-CB 3.35Å; W264-A271 PolarHBondContact O-N 2.88Å; W264-I275 HydrophobicContact CH2-CD1 3.52Å; W264-I275 HydrophobicContact CZ2-CD1 3.84Å; W264-I275 HydrophobicContact CZ3-CD1 4.27Å
265	T	89.4	Confident	83.7	Confident	78 Å²	78	84.3 Å²	84.3	48%	0.479	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.4	-174.1	51.5	0	0	0	0	111.4	P263 M269	P263-T265 HydrophobicContact CB-CG2 4.28Å; P263-T265 HydrophobicContact CG-CG2 4.28Å; P263-T265 PolarHBondContact O-N 3.38Å; P263-T265 PolarHBondContact O-OG1 3Å; T265-M269 CarbonylContact C-O 3.58Å; T265-M269 WeakPolarHBondContact CA-O 3.41Å; T265-M269 WeakPolarHBondContact CB-O 3.24Å
266	I	90.8	Very high	84.7	Confident	62 Å²	62	82.8 Å²	82.8	32%	0.318	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.4	173.2	-64.9	170.2	0	0	0	106.5	G268 M269 A271 V274 I275	I266-G268 PolarHBondContact O-N 3.29Å; I266-M269 PolarHBondContact N-O 3.31Å; I266-M269 PolarHBondContact O-N 2.98Å; I266-M269 VanDerWaalsContact O-N 3.12Å; I266-A271 HydrophobicContact CB-CB 4.44Å; I266-A271 HydrophobicContact CD1-CB 3.68Å; I266-A271 HydrophobicContact CG1-CB 3.71Å; I266-V274 HydrophobicContact CB-CB 4.46Å; I266-V274 HydrophobicContact CB-CG1 4.44Å; I266-V274 HydrophobicContact CG2-CG1 4.05Å; I266-I275 HydrophobicContact CD1-CD1 4.26Å; I266-I275 HydrophobicContact CD1-CG1 4.14Å
267	L	87.8	Confident	85.5	Confident	157 Å²	157	85.1 Å²	85.1	82%	0.822	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	30.5	-176.8	-58.9	169.5	0	0	0	114.3	M269	L267-M269 PolarHBondContact O-N 3.41Å
268	G	85.8	Confident	86.3	Confident	73 Å²	73	87.1 Å²	87.1	75%	0.753	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	4.2	-178.8	0	0	0	0	0	114.9	I266	I266-G268 PolarHBondContact O-N 3.29Å
269	M	86.8	Confident	87	Confident	112 Å²	112	86 Å²	86	55%	0.552	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	160.5	171.6	-64.6	-177.5	-71.6	0	0	110.2	T265 I266 L267 A271 V274	T265-M269 CarbonylContact C-O 3.58Å; T265-M269 WeakPolarHBondContact CA-O 3.41Å; T265-M269 WeakPolarHBondContact CB-O 3.24Å; I266-M269 PolarHBondContact N-O 3.31Å; I266-M269 PolarHBondContact O-N 2.98Å; I266-M269 VanDerWaalsContact O-N 3.12Å; L267-M269 PolarHBondContact O-N 3.41Å; M269-A271 PolarHBondContact O-N 2.92Å; M269-V274 HydrophobicContact CB-CG2 3.78Å; M269-V274 HydrophobicContact CE-CG2 3.87Å
270	D	88.9	Confident	88	Confident	47 Å²	47	82.9 Å²	82.9	25%	0.251	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	125.4	173.5	175.9	56.1	0	0	0	111.2	M272 S273 V274 K860	D270-M272 VanDerWaalsContact C-N 3.29Å; D270-M272 PolarHBondContact O-N 2.99Å; D270-S273 PolarHBondContact O-N 3.5Å; D270-S273 PolarHBondContact OD2-N 2.9Å; D270-S273 PolarHBondContact OD2-OG 2.55Å; D270-V274 WeakPolarHBondContact O-CG2 3.35Å; D270-V274 PolarHBondContact O-N 3.18Å; D270-K860 VanDerWaalsContact OD2-CE 3.25Å; D270-K860 WeakPolarHBondContact OD2-CE 3.18Å; D270-K860 IonicContact OD2-NZ 2.58Å; D270-K860 PolarHBondContact OD2-NZ 3.11Å
271	A	90.8	Very high	89.1	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	43%	0.43	C	S	.	.	H	α-helix	trans	-60.8	-38.8	-171.6	0	0	0	0	0	112	W264 I266 M269 V274 I275	W264-A271 HydrophobicContact CB-CB 4.25Å; W264-A271 HydrophobicContact CD2-CB 3.42Å; W264-A271 VanDerWaalsContact CD2-CB 3.42Å; W264-A271 HydrophobicContact CE3-CB 3.85Å; W264-A271 HydrophobicContact CG-CB 3.59Å; W264-A271 HydrophobicContact CZ2-CB 4.23Å; W264-A271 HydrophobicContact CZ3-CB 4.41Å; W264-A271 WeakPolarHBondContact O-CB 3.35Å; W264-A271 PolarHBondContact O-N 2.88Å; I266-A271 HydrophobicContact CB-CB 4.44Å; I266-A271 HydrophobicContact CD1-CB 3.68Å; I266-A271 HydrophobicContact CG1-CB 3.71Å; M269-A271 PolarHBondContact O-N 2.92Å; A271-V274 PolarHBondContact O-N 3.29Å; A271-I275 WeakPolarHBondContact O-CB 3.46Å; A271-I275 WeakPolarHBondContact O-CD1 3.36Å; A271-I275 VanDerWaalsContact O-CG1 3.22Å; A271-I275 WeakPolarHBondContact O-CG1 3.49Å; A271-I275 PolarHBondContact O-N 3.45Å
272	M	91	Very high	90.1	Very high	45 Å²	45	75 Å²	75	22%	0.222	41%	0.412	C	S	.	.	H	α-helix	trans	-65.8	-44	-178.6	-165.1	62.5	-169.7	0	0	111.7	D270 V274 I275 M276 I855	D270-M272 VanDerWaalsContact C-N 3.29Å; D270-M272 PolarHBondContact O-N 2.99Å; M272-V274 VanDerWaalsContact C-N 3.32Å; M272-V274 PolarHBondContact O-N 3.44Å; M272-I275 PolarHBondContact O-N 2.79Å; M272-M276 HydrophobicContact CE-CG 3.91Å; M272-M276 HydrophobicContact CE-SD 3.87Å; M272-M276 WeakPolarHBondContact O-CB 3.25Å; M272-M276 WeakPolarHBondContact O-CG 3.27Å; M272-M276 PolarHBondContact O-N 3.45Å; M272-I855 HydrophobicContact CE-CG2 3.5Å; M272-I855 VanDerWaalsContact CE-CG2 3.5Å
273	S	91	Very high	91	Very high	43 Å²	43	72.7 Å²	72.7	30%	0.301	39%	0.391	S	S	.	.	H	α-helix	trans	-56.8	-43.4	172.3	-66.6	0	0	0	0	112.8	D270 W277 K860	D270-S273 PolarHBondContact O-N 3.5Å; D270-S273 PolarHBondContact OD2-N 2.9Å; D270-S273 PolarHBondContact OD2-OG 2.55Å; S273-W277 WeakPolarHBondContact O-CB 3.23Å; S273-W277 PolarHBondContact O-N 3.41Å; S273-K860 PolarHBondContact OG-NZ 3.24Å
274	V	93.3	Very high	91.7	Very high	13 Å²	13	70.6 Å²	70.6	8%	0.079	37%	0.374	C	S	.	.	H	α-helix	trans	-67.8	-45.7	179.5	177.2	0	0	0	0	111.4	I266 M269 D270 A271 M272 M276 W277 I278	I266-V274 HydrophobicContact CB-CB 4.46Å; I266-V274 HydrophobicContact CB-CG1 4.44Å; I266-V274 HydrophobicContact CG2-CG1 4.05Å; M269-V274 HydrophobicContact CB-CG2 3.78Å; M269-V274 HydrophobicContact CE-CG2 3.87Å; D270-V274 WeakPolarHBondContact O-CG2 3.35Å; D270-V274 PolarHBondContact O-N 3.18Å; A271-V274 PolarHBondContact O-N 3.29Å; M272-V274 VanDerWaalsContact C-N 3.32Å; M272-V274 PolarHBondContact O-N 3.44Å; V274-M276 VanDerWaalsContact C-N 3.32Å; V274-M276 PolarHBondContact O-N 3.15Å; V274-W277 PolarHBondContact O-N 3.13Å; V274-I278 HydrophobicContact CG1-CD1 3.86Å; V274-I278 HydrophobicContact CG1-CG1 4.39Å; V274-I278 WeakPolarHBondContact O-CG1 3.46Å; V274-I278 PolarHBondContact O-N 3.33Å
275	I	93.6	Very high	92	Very high	65 Å²	65	68.6 Å²	68.6	33%	0.333	38%	0.375	S	S	.	.	H	α-helix	trans	-58.1	-47.3	178	-70.5	164	0	0	0	110.1	W264 I266 A271 M272 I278 S279	W264-I275 HydrophobicContact CH2-CD1 3.52Å; W264-I275 HydrophobicContact CZ2-CD1 3.84Å; W264-I275 HydrophobicContact CZ3-CD1 4.27Å; I266-I275 HydrophobicContact CD1-CD1 4.26Å; I266-I275 HydrophobicContact CD1-CG1 4.14Å; A271-I275 WeakPolarHBondContact O-CB 3.46Å; A271-I275 WeakPolarHBondContact O-CD1 3.36Å; A271-I275 VanDerWaalsContact O-CG1 3.22Å; A271-I275 WeakPolarHBondContact O-CG1 3.49Å; A271-I275 PolarHBondContact O-N 3.45Å; M272-I275 PolarHBondContact O-N 2.79Å; I275-I278 PolarHBondContact O-N 2.73Å; I275-S279 WeakPolarHBondContact O-CB 3.26Å; I275-S279 PolarHBondContact O-N 3.32Å; I275-S279 PolarHBondContact O-OG 3.11Å
276	M	93.8	Very high	92.2	Very high	25 Å²	25	70.4 Å²	70.4	12%	0.123	38%	0.38	C	S	.	.	H	α-helix	trans	-67.9	-37.8	-179.7	-67.6	-47.8	-59.7	0	0	112.3	M272 V274 S279 Y280 I855 A856	M272-M276 HydrophobicContact CE-CG 3.91Å; M272-M276 HydrophobicContact CE-SD 3.87Å; M272-M276 WeakPolarHBondContact O-CB 3.25Å; M272-M276 WeakPolarHBondContact O-CG 3.27Å; M272-M276 PolarHBondContact O-N 3.45Å; V274-M276 VanDerWaalsContact C-N 3.32Å; V274-M276 PolarHBondContact O-N 3.15Å; M276-S279 WeakPolarHBondContact CA-OG 3.12Å; M276-S279 PolarHBondContact O-N 3.24Å; M276-S279 PolarHBondContact O-OG 2.81Å; M276-Y280 WeakPolarHBondContact O-CB 3.4Å; M276-Y280 PolarHBondContact O-N 3.5Å; M276-I855 HydrophobicContact CE-CB 3.94Å; M276-I855 HydrophobicContact CE-CD1 4.08Å; M276-I855 HydrophobicContact CE-CG2 3.84Å; M276-I855 HydrophobicContact CG-CB 4.46Å; M276-I855 HydrophobicContact CG-CG2 4.05Å; M276-I855 HydrophobicContact SD-CB 4.34Å; M276-I855 HydrophobicContact SD-CG2 3.65Å; M276-A856 HydrophobicContact CB-CB 3.93Å; M276-A856 HydrophobicContact CG-CB 3.99Å
277	W	93.9	Very high	92.2	Very high	175 Å²	175	69.5 Å²	69.5	66%	0.663	37%	0.374	S	S	*	.	H	α-helix	trans	-62.2	-47.2	174	-178.9	82.7	0	0	0	112.3	S273 V274 S279 Y280 V281	S273-W277 WeakPolarHBondContact O-CB 3.23Å; S273-W277 PolarHBondContact O-N 3.41Å; V274-W277 PolarHBondContact O-N 3.13Å; W277-S279 VanDerWaalsContact C-N 3.34Å; W277-S279 PolarHBondContact O-N 2.92Å; W277-Y280 PolarHBondContact O-N 3.46Å; W277-V281 HydrophobicContact CD2-CG2 4.19Å; W277-V281 HydrophobicContact CH2-CG2 4.41Å; W277-V281 HydrophobicContact CZ2-CG2 3.97Å; W277-V281 WeakPolarHBondContact O-CG2 3.26Å; W277-V281 PolarHBondContact O-N 2.83Å
278	I	94.3	Very high	92.2	Very high	97 Å²	97	64.4 Å²	64.4	50%	0.497	36%	0.355	S	S	.	.	H	α-helix	trans	-60.8	-45	176.2	-66.6	172.3	0	0	0	110.3	V274 I275 Y280 V281 A282	V274-I278 HydrophobicContact CG1-CD1 3.86Å; V274-I278 HydrophobicContact CG1-CG1 4.39Å; V274-I278 WeakPolarHBondContact O-CG1 3.46Å; V274-I278 PolarHBondContact O-N 3.33Å; I275-I278 PolarHBondContact O-N 2.73Å; I278-Y280 VanDerWaalsContact C-N 3.29Å; I278-Y280 PolarHBondContact O-N 3.34Å; I278-V281 PolarHBondContact O-N 3.33Å; I278-A282 WeakPolarHBondContact O-CB 3.28Å; I278-A282 PolarHBondContact O-N 2.96Å
279	S	94.3	Very high	92.4	Very high	49 Å²	49	63.1 Å²	63.1	34%	0.343	34%	0.341	S	S	.	.	H	α-helix	trans	-60.9	-39	178.8	78.3	0	0	0	0	112.1	I275 M276 W277 F283	I275-S279 WeakPolarHBondContact O-CB 3.26Å; I275-S279 PolarHBondContact O-N 3.32Å; I275-S279 PolarHBondContact O-OG 3.11Å; M276-S279 WeakPolarHBondContact CA-OG 3.12Å; M276-S279 PolarHBondContact O-N 3.24Å; M276-S279 PolarHBondContact O-OG 2.81Å; W277-S279 VanDerWaalsContact C-N 3.34Å; W277-S279 PolarHBondContact O-N 2.92Å; S279-F283 WeakPolarHBondContact O-CB 3.49Å; S279-F283 PolarHBondContact O-N 3.08Å
280	Y	95.5	Very high	92.4	Very high	59 Å²	59	62.2 Å²	62.2	23%	0.231	34%	0.342	C	S	.	.	H	α-helix	trans	-71	-43.1	178.5	179.8	-119.6	0	0	0	112.2	M276 W277 I278 A282 F283 L284 A845 V848	M276-Y280 WeakPolarHBondContact O-CB 3.4Å; M276-Y280 PolarHBondContact O-N 3.5Å; W277-Y280 PolarHBondContact O-N 3.46Å; I278-Y280 VanDerWaalsContact C-N 3.29Å; I278-Y280 PolarHBondContact O-N 3.34Å; Y280-A282 VanDerWaalsContact C-N 3.34Å; Y280-A282 PolarHBondContact O-N 3.4Å; Y280-F283 HydrophobicContact CD2-CD1 4.4Å; Y280-F283 HydrophobicContact CE2-CD1 4.47Å; Y280-F283 WeakPolarHBondContact O-CB 3.3Å; Y280-F283 PolarHBondContact O-N 3.24Å; Y280-L284 HydrophobicContact CD1-CD1 4.15Å; Y280-L284 HydrophobicContact CD2-CG 4.38Å; Y280-L284 HydrophobicContact CE1-CD1 3.59Å; Y280-L284 HydrophobicContact CE1-CG 4.22Å; Y280-L284 HydrophobicContact CE2-CD1 4.21Å; Y280-L284 HydrophobicContact CE2-CD2 4.02Å; Y280-L284 HydrophobicContact CE2-CG 3.95Å; Y280-L284 WeakPolarHBondContact O-CG 3.49Å; Y280-L284 PolarHBondContact O-N 3.4Å; Y280-A845 PolarHBondContact OH-O 3.13Å; Y280-V848 HydrophobicContact CD2-CG1 4.3Å
281	V	94.9	Very high	92.2	Very high	52 Å²	52	62.7 Å²	62.7	32%	0.315	34%	0.344	S	S	.	.	H	α-helix	trans	-62.3	-43.5	174.8	173.7	0	0	0	0	110.6	W277 I278 F283 L284 L285	W277-V281 HydrophobicContact CD2-CG2 4.19Å; W277-V281 HydrophobicContact CH2-CG2 4.41Å; W277-V281 HydrophobicContact CZ2-CG2 3.97Å; W277-V281 WeakPolarHBondContact O-CG2 3.26Å; W277-V281 PolarHBondContact O-N 2.83Å; I278-V281 PolarHBondContact O-N 3.33Å; V281-F283 PolarHBondContact O-N 3.06Å; V281-L284 PolarHBondContact O-N 2.96Å; V281-L285 HydrophobicContact CG1-CD1 4.14Å; V281-L285 HydrophobicContact CG1-CG 4.47Å; V281-L285 WeakPolarHBondContact O-CG 3.21Å; V281-L285 PolarHBondContact O-N 2.69Å
282	A	94.6	Very high	91.9	Very high	42 Å²	42	66.8 Å²	66.8	35%	0.347	37%	0.369	S	S	.	.	H	α-helix	trans	-60.6	-44.9	174.8	0	0	0	0	0	111.6	I278 Y280 L284 L285 I286	I278-A282 WeakPolarHBondContact O-CB 3.28Å; I278-A282 PolarHBondContact O-N 2.96Å; Y280-A282 VanDerWaalsContact C-N 3.34Å; Y280-A282 PolarHBondContact O-N 3.4Å; A282-L284 PolarHBondContact O-N 3.29Å; A282-L285 PolarHBondContact O-N 3.27Å; A282-I286 WeakPolarHBondContact O-CB 3.23Å; A282-I286 VanDerWaalsContact O-CG1 3.28Å; A282-I286 WeakPolarHBondContact O-CG1 3.33Å; A282-I286 PolarHBondContact O-N 3.07Å
283	F	94.8	Very high	91.5	Very high	64 Å²	64	66.5 Å²	66.5	28%	0.281	38%	0.377	S	S	.	.	H	α-helix	trans	-57.4	-48.4	173.9	170.5	-97.3	0	0	0	111.7	S279 Y280 V281 L285 I286 F287 V844 V848	S279-F283 WeakPolarHBondContact O-CB 3.49Å; S279-F283 PolarHBondContact O-N 3.08Å; Y280-F283 HydrophobicContact CD2-CD1 4.4Å; Y280-F283 HydrophobicContact CE2-CD1 4.47Å; Y280-F283 WeakPolarHBondContact O-CB 3.3Å; Y280-F283 PolarHBondContact O-N 3.24Å; V281-F283 PolarHBondContact O-N 3.06Å; F283-L285 PolarHBondContact O-N 3.49Å; F283-I286 PolarHBondContact O-N 3.42Å; F283-F287 HydrophobicContact CE1-CB 4.36Å; F283-F287 HydrophobicContact CE1-CG 4.42Å; F283-F287 HydrophobicContact CE2-CB 4.43Å; F283-F287 HydrophobicContact CZ-CB 4.22Å; F283-F287 HydrophobicContact CZ-CD2 4.24Å; F283-F287 HydrophobicContact CZ-CG 4.11Å; F283-F287 WeakPolarHBondContact O-CB 3.32Å; F283-F287 PolarHBondContact O-N 2.77Å; F283-V844 HydrophobicContact CZ-CG1 4.18Å; F283-V848 HydrophobicContact CD1-CB 4.26Å; F283-V848 HydrophobicContact CD1-CG1 3.67Å; F283-V848 HydrophobicContact CD2-CG1 4.46Å; F283-V848 HydrophobicContact CE1-CB 3.77Å; F283-V848 HydrophobicContact CE1-CG1 3.66Å; F283-V848 HydrophobicContact CE1-CG2 3.98Å; F283-V848 HydrophobicContact CE2-CG1 4.45Å; F283-V848 HydrophobicContact CE2-CG2 4.48Å; F283-V848 HydrophobicContact CG-CG1 4.09Å; F283-V848 HydrophobicContact CZ-CB 4.14Å; F283-V848 HydrophobicContact CZ-CG1 4.07Å; F283-V848 HydrophobicContact CZ-CG2 3.82Å
284	L	93.3	Very high	91	Very high	58 Å²	58	67.1 Å²	67.1	30%	0.304	39%	0.385	S	S	.	.	H	α-helix	trans	-61.6	-41.5	179.1	-72.8	-179	0	0	0	112.4	Y280 V281 A282 A288 A845	Y280-L284 HydrophobicContact CD1-CD1 4.15Å; Y280-L284 HydrophobicContact CD2-CG 4.38Å; Y280-L284 HydrophobicContact CE1-CD1 3.59Å; Y280-L284 HydrophobicContact CE1-CG 4.22Å; Y280-L284 HydrophobicContact CE2-CD1 4.21Å; Y280-L284 HydrophobicContact CE2-CD2 4.02Å; Y280-L284 HydrophobicContact CE2-CG 3.95Å; Y280-L284 WeakPolarHBondContact O-CG 3.49Å; Y280-L284 PolarHBondContact O-N 3.4Å; V281-L284 PolarHBondContact O-N 2.96Å; A282-L284 PolarHBondContact O-N 3.29Å; L284-A288 WeakPolarHBondContact O-CB 3.36Å; L284-A288 PolarHBondContact O-N 2.96Å; L284-A845 HydrophobicContact CD2-CB 3.85Å
285	L	93.3	Very high	90.4	Very high	125 Å²	125	74.1 Å²	74.1	65%	0.654	41%	0.41	S	S	*	.	H	α-helix	trans	-66	-45.2	178	-70.6	174.2	0	0	0	111.9	V281 A282 F283 G289	V281-L285 HydrophobicContact CG1-CD1 4.14Å; V281-L285 HydrophobicContact CG1-CG 4.47Å; V281-L285 WeakPolarHBondContact O-CG 3.21Å; V281-L285 PolarHBondContact O-N 2.69Å; A282-L285 PolarHBondContact O-N 3.27Å; F283-L285 PolarHBondContact O-N 3.49Å; L285-G289 PolarHBondContact O-N 3.26Å
286	I	93.3	Very high	89.6	Confident	115 Å²	115	73.9 Å²	73.9	59%	0.59	41%	0.413	S	S	*	.	H	α-helix	trans	-65	-47.4	177	-66.5	167.2	0	0	0	109.9	A282 F283 G289 V290	A282-I286 WeakPolarHBondContact O-CB 3.23Å; A282-I286 VanDerWaalsContact O-CG1 3.28Å; A282-I286 WeakPolarHBondContact O-CG1 3.33Å; A282-I286 PolarHBondContact O-N 3.07Å; F283-I286 PolarHBondContact O-N 3.42Å; I286-G289 PolarHBondContact O-N 3.45Å; I286-V290 HydrophobicContact CG2-CG2 4.44Å; I286-V290 VanDerWaalsContact O-CG2 3.31Å; I286-V290 WeakPolarHBondContact O-CG2 3.5Å; I286-V290 PolarHBondContact O-N 3.46Å
287	F	90.9	Very high	88.7	Confident	44 Å²	44	79.8 Å²	79.8	19%	0.193	44%	0.439	C	S	.	.	H	α-helix	trans	-64.2	-46.9	-178.3	-174	-113.7	0	0	0	111.7	F283 G289 V290 L291 P841 V844	F283-F287 HydrophobicContact CE1-CB 4.36Å; F283-F287 HydrophobicContact CE1-CG 4.42Å; F283-F287 HydrophobicContact CE2-CB 4.43Å; F283-F287 HydrophobicContact CZ-CB 4.22Å; F283-F287 HydrophobicContact CZ-CD2 4.24Å; F283-F287 HydrophobicContact CZ-CG 4.11Å; F283-F287 WeakPolarHBondContact O-CB 3.32Å; F283-F287 PolarHBondContact O-N 2.77Å; F287-G289 VanDerWaalsContact C-N 3.34Å; F287-G289 PolarHBondContact O-N 2.68Å; F287-V290 PolarHBondContact O-N 2.92Å; F287-L291 HydrophobicContact CD1-CD1 3.82Å; F287-L291 HydrophobicContact CE1-CD1 3.59Å; F287-L291 HydrophobicContact CE2-CD1 4.5Å; F287-L291 HydrophobicContact CG-CD1 4.38Å; F287-L291 HydrophobicContact CZ-CD1 3.95Å; F287-L291 VanDerWaalsContact O-CG 3.26Å; F287-L291 WeakPolarHBondContact O-CG 3.31Å; F287-L291 PolarHBondContact O-N 3.5Å; F287-P841 HydrophobicContact CE1-CB 3.92Å; F287-P841 HydrophobicContact CZ-CB 4.2Å; F287-V844 HydrophobicContact CE1-CB 4.4Å; F287-V844 HydrophobicContact CE2-CG1 4.29Å; F287-V844 HydrophobicContact CZ-CB 3.99Å; F287-V844 HydrophobicContact CZ-CG1 3.99Å
288	A	88.9	Confident	87.4	Confident	50 Å²	50	78.6 Å²	78.6	41%	0.413	43%	0.434	S	S	.	.	H	α-helix	trans	-62.9	-40.8	173.7	0	0	0	0	0	111.7	L284 L291 V292	L284-A288 WeakPolarHBondContact O-CB 3.36Å; L284-A288 PolarHBondContact O-N 2.96Å; A288-L291 PolarHBondContact O-N 3.4Å; A288-V292 WeakPolarHBondContact O-CB 3.48Å; A288-V292 VanDerWaalsContact O-CG2 3.31Å; A288-V292 WeakPolarHBondContact O-CG2 3.34Å; A288-V292 PolarHBondContact O-N 3.4Å
289	G	88.4	Confident	86	Confident	45 Å²	45	79.7 Å²	79.7	46%	0.464	44%	0.435	S	S	.	.	H	α-helix	trans	-60.4	-44.5	175.7	0	0	0	0	0	112.8	L285 I286 F287 G293	L285-G289 PolarHBondContact O-N 3.26Å; I286-G289 PolarHBondContact O-N 3.45Å; F287-G289 VanDerWaalsContact C-N 3.34Å; F287-G289 PolarHBondContact O-N 2.68Å; G289-G293 PolarHBondContact O-N 2.99Å
290	V	87.8	Confident	84.1	Confident	94 Å²	94	86.7 Å²	86.7	57%	0.57	45%	0.454	S	S	*	.	H	α-helix	trans	-63.6	-42.3	174.9	170.3	0	0	0	0	111.1	I286 F287 G293 A294	I286-V290 HydrophobicContact CG2-CG2 4.44Å; I286-V290 VanDerWaalsContact O-CG2 3.31Å; I286-V290 WeakPolarHBondContact O-CG2 3.5Å; I286-V290 PolarHBondContact O-N 3.46Å; F287-V290 PolarHBondContact O-N 2.92Å; V290-G293 PolarHBondContact O-N 3.44Å; V290-A294 VanDerWaalsContact O-CB 3.24Å; V290-A294 WeakPolarHBondContact O-CB 3.38Å; V290-A294 PolarHBondContact O-N 2.78Å
291	L	85.4	Confident	81.9	Confident	57 Å²	57	88 Å²	88	30%	0.298	47%	0.468	S	S	.	.	H	α-helix	trans	-66.1	-45.9	178.5	-70.8	168.1	0	0	0	112.5	F287 A288 A294 W295 P841	F287-L291 HydrophobicContact CD1-CD1 3.82Å; F287-L291 HydrophobicContact CE1-CD1 3.59Å; F287-L291 HydrophobicContact CE2-CD1 4.5Å; F287-L291 HydrophobicContact CG-CD1 4.38Å; F287-L291 HydrophobicContact CZ-CD1 3.95Å; F287-L291 VanDerWaalsContact O-CG 3.26Å; F287-L291 WeakPolarHBondContact O-CG 3.31Å; F287-L291 PolarHBondContact O-N 3.5Å; A288-L291 PolarHBondContact O-N 3.4Å; L291-A294 PolarHBondContact O-N 3.31Å; L291-W295 VanDerWaalsContact O-CB 3.25Å; L291-W295 WeakPolarHBondContact O-CB 3.22Å; L291-W295 PolarHBondContact O-N 3.2Å; L291-P841 HydrophobicContact CD1-CB 3.61Å; L291-P841 HydrophobicContact CD1-CG 3.98Å; L291-P841 HydrophobicContact CD2-CG 4.03Å
292	V	84.4	Confident	79.7	Confident	86 Å²	86	92.3 Å²	92.3	52%	0.521	49%	0.488	S	S	.	.	H	α-helix	trans	-65.7	-41.5	176.4	173.3	0	0	0	0	110.3	A288 W295 C296	A288-V292 WeakPolarHBondContact O-CB 3.48Å; A288-V292 VanDerWaalsContact O-CG2 3.31Å; A288-V292 WeakPolarHBondContact O-CG2 3.34Å; A288-V292 PolarHBondContact O-N 3.4Å; V292-W295 PolarHBondContact O-N 3.36Å; V292-C296 VanDerWaalsContact O-CB 3.26Å; V292-C296 WeakPolarHBondContact O-CB 3.14Å; V292-C296 PolarHBondContact O-N 2.54Å; V292-C296 PolarHBondContact O-SG 3.21Å
293	G	82.4	Confident	77.3	Confident	39 Å²	39	95.7 Å²	95.7	40%	0.402	51%	0.505	S	S	.	.	H	α-helix	trans	-59.4	-50.2	174.7	0	0	0	0	0	112.1	G289 V290 W295 C296 F297	G289-G293 PolarHBondContact O-N 2.99Å; V290-G293 PolarHBondContact O-N 3.44Å; G293-W295 PolarHBondContact O-N 2.91Å; G293-C296 PolarHBondContact O-N 3.13Å; G293-F297 WeakPolarHBondContact O-CB 3.39Å; G293-F297 PolarHBondContact O-N 3.2Å
294	A	80.1	Confident	74.6	Confident	56 Å²	56	96.4 Å²	96.4	46%	0.463	52%	0.518	S	S	.	.	H	α-helix	trans	-62.1	-42.3	176.1	0	0	0	0	0	111.9	V290 L291 F297 R298	V290-A294 VanDerWaalsContact O-CB 3.24Å; V290-A294 WeakPolarHBondContact O-CB 3.38Å; V290-A294 PolarHBondContact O-N 2.78Å; L291-A294 PolarHBondContact O-N 3.31Å; A294-F297 PolarHBondContact O-N 3.05Å; A294-R298 WeakPolarHBondContact O-CB 3.37Å; A294-R298 PolarHBondContact O-N 2.98Å
295	W	79.8	Confident	72.1	Confident	159 Å²	159	101.4 Å²	101.4	60%	0.602	54%	0.54	S	S	*	.	H	α-helix	trans	-63.7	-45.2	176.7	-176.6	80.4	0	0	0	112.2	L291 V292 G293 R298 K299	L291-W295 VanDerWaalsContact O-CB 3.25Å; L291-W295 WeakPolarHBondContact O-CB 3.22Å; L291-W295 PolarHBondContact O-N 3.2Å; V292-W295 PolarHBondContact O-N 3.36Å; G293-W295 PolarHBondContact O-N 2.91Å; W295-R298 PolarHBondContact O-N 3.19Å; W295-K299 HydrophobicContact CH2-CD 4.06Å; W295-K299 HydrophobicContact CZ2-CD 4.34Å; W295-K299 HydrophobicContact CZ3-CD 4.28Å; W295-K299 WeakPolarHBondContact O-CB 3.27Å; W295-K299 PolarHBondContact O-N 3.36Å
296	C	77.8	Confident	69.8	Low	60 Å²	60	107.5 Å²	107.5	41%	0.405	56%	0.556	S	S	.	*	H	α-helix	trans	-63.3	-41.2	174.5	-76.4	0	0	0	0	111.8	V292 G293 K299 R300	V292-C296 VanDerWaalsContact O-CB 3.26Å; V292-C296 WeakPolarHBondContact O-CB 3.14Å; V292-C296 PolarHBondContact O-N 2.54Å; V292-C296 PolarHBondContact O-SG 3.21Å; G293-C296 PolarHBondContact O-N 3.13Å; C296-K299 PolarHBondContact O-N 3Å; C296-R300 VanDerWaalsContact O-CB 3.26Å; C296-R300 WeakPolarHBondContact O-CB 3.3Å; C296-R300 PolarHBondContact O-N 3.06Å
297	F	74.7	Confident	66.8	Low	150 Å²	150	104.3 Å²	104.3	66%	0.658	55%	0.551	S	S	*	*	H	α-helix	trans	-64.9	-42.8	177.6	-151.8	-89.5	0	0	0	111.4	G293 A294 K299 R300 T301	G293-F297 WeakPolarHBondContact O-CB 3.39Å; G293-F297 PolarHBondContact O-N 3.2Å; A294-F297 PolarHBondContact O-N 3.05Å; F297-K299 VanDerWaalsContact C-N 3.35Å; F297-K299 PolarHBondContact O-N 3.26Å; F297-R300 PolarHBondContact O-N 3.06Å; F297-T301 HydrophobicContact CD1-CG2 4.41Å; F297-T301 HydrophobicContact CE1-CG2 4.29Å; F297-T301 PolarHBondContact O-N 3.13Å; F297-T301 PolarHBondContact O-OG1 2.9Å
298	R	67.2	Low	64.7	Low	149 Å²	149	108 Å²	108	56%	0.562	58%	0.579	S	S	*	*	H	α-helix	trans	-61.8	-40.1	172.9	-130.6	177.3	179.9	-169.6	-0.9	111.7	A294 W295 T301 I302 E837	A294-R298 WeakPolarHBondContact O-CB 3.37Å; A294-R298 PolarHBondContact O-N 2.98Å; W295-R298 PolarHBondContact O-N 3.19Å; R298-T301 WeakPolarHBondContact CA-OG1 3.23Å; R298-T301 PolarHBondContact O-OG1 3.37Å; R298-I302 WeakPolarHBondContact O-CD1 3.28Å; R298-I302 VanDerWaalsContact O-CG1 3.25Å; R298-I302 WeakPolarHBondContact O-CG1 3.42Å; R298-I302 PolarHBondContact O-N 2.93Å; R298-E837 IonicContact CZ-OE1 3.84Å; R298-E837 IonicContact NH1-OE1 3.24Å; R298-E837 PolarHBondContact NH1-OE1 3.07Å; R298-E837 IonicContact NH1-OE2 3.14Å; R298-E837 PolarHBondContact NH1-OE2 2.02Å; R298-E837 IonicContact NH2-OE1 2.8Å
299	K	64.3	Low	62.7	Low	120 Å²	120	112.6 Å²	112.6	52%	0.522	60%	0.595	S	S	.	*	H	α-helix	trans	-70.7	-32.9	177.2	-168	176.5	-178.9	179.6	0	112.6	W295 C296 F297 T303	W295-K299 HydrophobicContact CH2-CD 4.06Å; W295-K299 HydrophobicContact CZ2-CD 4.34Å; W295-K299 HydrophobicContact CZ3-CD 4.28Å; W295-K299 WeakPolarHBondContact O-CB 3.27Å; W295-K299 PolarHBondContact O-N 3.36Å; C296-K299 PolarHBondContact O-N 3Å; F297-K299 VanDerWaalsContact C-N 3.35Å; F297-K299 PolarHBondContact O-N 3.26Å; K299-T303 PolarHBondContact O-N 2.97Å; K299-T303 PolarHBondContact O-OG1 3.23Å
300	R	54	Low	60.3	Low	197 Å²	197	118.4 Å²	118.4	74%	0.743	62%	0.615	S	S	*	*	H	α-helix	trans	-79.1	-33.4	-179.6	-154.1	175.6	-170.4	177.7	1.9	112.7	C296 F297 T303 S304	C296-R300 VanDerWaalsContact O-CB 3.26Å; C296-R300 WeakPolarHBondContact O-CB 3.3Å; C296-R300 PolarHBondContact O-N 3.06Å; F297-R300 PolarHBondContact O-N 3.06Å; R300-T303 WeakPolarHBondContact CA-OG1 3.29Å; R300-T303 PolarHBondContact O-N 2.96Å; R300-T303 PolarHBondContact O-OG1 3.36Å; R300-S304 WeakPolarHBondContact O-CB 3.45Å; R300-S304 PolarHBondContact O-N 3.3Å
301	T	48.8	Very low	57.6	Low	86 Å²	86	121.3 Å²	121.3	53%	0.528	63%	0.627	S	S	.	*	H	α-helix	trans	-71.5	-26.4	170.8	34.5	0	0	0	0	112.9	F297 R298	F297-T301 HydrophobicContact CD1-CG2 4.41Å; F297-T301 HydrophobicContact CE1-CG2 4.29Å; F297-T301 PolarHBondContact O-N 3.13Å; F297-T301 PolarHBondContact O-OG1 2.9Å; R298-T301 WeakPolarHBondContact CA-OG1 3.23Å; R298-T301 PolarHBondContact O-OG1 3.37Å
302	I	50.6	Low	55.3	Low	142 Å²	142	124.2 Å²	124.2	73%	0.728	65%	0.652	S	S	*	*	H	α-helix	trans	-80	-21.4	173.5	-67.8	168.1	0	0	0	112.6	R298	R298-I302 WeakPolarHBondContact O-CD1 3.28Å; R298-I302 VanDerWaalsContact O-CG1 3.25Å; R298-I302 WeakPolarHBondContact O-CG1 3.42Å; R298-I302 PolarHBondContact O-N 2.93Å
303	T	44.2	Very low	52.9	Low	114 Å²	114	127.3 Å²	127.3	70%	0.699	67%	0.666	S	S	*	*	S	Bend	trans	-99	-0.9	-178.5	40.1	0	0	0	0	114.2	K299 R300	K299-T303 PolarHBondContact O-N 2.97Å; K299-T303 PolarHBondContact O-OG1 3.23Å; R300-T303 WeakPolarHBondContact CA-OG1 3.29Å; R300-T303 PolarHBondContact O-N 2.96Å; R300-T303 PolarHBondContact O-OG1 3.36Å
304	S	37.9	Very low	50.3	Low	79 Å²	79	131.1 Å²	131.1	55%	0.552	68%	0.677	S	S	*	*	S	Bend	trans	-119.1	113.6	178.7	-179.9	0	0	0	0	110.6	R300	R300-S304 WeakPolarHBondContact O-CB 3.45Å; R300-S304 PolarHBondContact O-N 3.3Å
305	E	39.2	Very low	48	Very low	163 Å²	163	134.5 Å²	134.5	76%	0.762	69%	0.694	S	S	*	*			trans	85	102.5	169.1	-79.5	-179.2	144.2	0	0	121.4
306	Y	46.6	Very low	45.6	Very low	253 Å²	253	134.3 Å²	134.3	99%	0.992	70%	0.704	S	S	*	*	S	Bend		-54.2	108.4	120.2	-107.8	-99.8	0	0	0	108.6
307	G	30.1	Very low	43.4	Very low	47 Å²	47	135 Å²	135	49%	0.485	71%	0.709	S	S	.	*	S	Bend	trans	155.7	134.1	174.9	0	0	0	0	0	112.6
308	P	46.8	Very low	41.5	Very low	122 Å²	122	135.6 Å²	135.6	79%	0.792	72%	0.719	S	S	*	*			trans	-88.9	136	-158.5	33.7	-32.7	0	0	0	115.3
309	I	45.7	Very low	39.8	Very low	147 Å²	147	136.5 Å²	136.5	75%	0.754	74%	0.735	S	S	*	*			trans	56.1	110.5	149.4	-46.1	170.2	0	0	0	117.9
310	L	38.4	Very low	38.3	Very low	167 Å²	167	134.8 Å²	134.8	87%	0.874	74%	0.738	S	S	*	*				-168.5	94	118.7	-128.6	90	0	0	0	110.8
311	D	31.9	Very low	37.4	Very low	154 Å²	154	133.2 Å²	133.2	82%	0.824	74%	0.744	S	S	*	*	S	Bend	trans	-159.7	104	151.2	-113.5	-20.1	0	0	0	111.9	N313	D311-N313 VanDerWaalsContact C-N 3.31Å; D311-N313 PolarHBondContact O-N 3.29Å
312	S	36.1	Very low	36.5	Very low	119 Å²	119	135.9 Å²	135.9	83%	0.832	76%	0.755	S	S	*	*	S	Bend	trans	23	1.4	161.4	66.9	0	0	0	0	125.6
313	N	34.8	Very low	36	Very low	151 Å²	151	137.5 Å²	137.5	81%	0.807	76%	0.76	S	S	*	*			trans	-108.9	88.6	168.4	-81.4	-34.7	0	0	0	110	D311 P315	D311-N313 VanDerWaalsContact C-N 3.31Å; D311-N313 PolarHBondContact O-N 3.29Å; N313-P315 VanDerWaalsContact O-CD 3.29Å; N313-P315 WeakPolarHBondContact O-CD 3.43Å
314	N	26.9	Very low	35.6	Very low	119 Å²	119	139 Å²	139	64%	0.636	76%	0.763	S	S	*	*			trans	-81.2	117.9	176.3	-131.2	-6.9	0	0	0	109.9	L316	N314-L316 VanDerWaalsContact C-N 3.34Å
315	P	33.1	Very low	35.9	Very low	126 Å²	126	143.8 Å²	143.8	82%	0.818	78%	0.777	S	S	*	*	S	Bend	trans	-95.5	16.7	166	16.4	4.9	0	0	0	112	N313	N313-P315 VanDerWaalsContact O-CD 3.29Å; N313-P315 WeakPolarHBondContact O-CD 3.43Å
316	L	29.2	Very low	36.2	Very low	155 Å²	155	143.9 Å²	143.9	81%	0.812	78%	0.777	S	S	*	*	S	Bend	trans	-125.3	17.6	-171	-113.3	153	0	0	0	115.6	N314	N314-L316 VanDerWaalsContact C-N 3.34Å
317	S	31.1	Very low	36.4	Very low	74 Å²	74	138.9 Å²	138.9	52%	0.517	77%	0.768	S	S	.	*	S	Bend	trans	-111.7	18.4	177.4	69.7	0	0	0	0	115.7
318	L	35.1	Very low	37.9	Very low	164 Å²	164	138.2 Å²	138.2	86%	0.859	76%	0.757	S	S	*	*	S	Bend	trans	-114.1	17.2	178.4	-94.7	161.8	0	0	0	114.7
319	N	32.4	Very low	38.9	Very low	167 Å²	167	135.3 Å²	135.3	89%	0.893	74%	0.74	S	S	*	*			trans	-103.2	14.2	162.1	-95	2.5	0	0	0	112.7	D321	N319-D321 PolarHBondContact O-N 2.98Å
320	S	30.9	Very low	40.1	Very low	84 Å²	84	133.2 Å²	133.2	59%	0.587	74%	0.737	S	S	*	*			trans	-85.5	104.3	159.2	73.2	0	0	0	0	108.2	N322	S320-N322 PolarHBondContact O-N 3.37Å
321	D	36.4	Very low	41.6	Very low	164 Å²	164	128.7 Å²	128.7	88%	0.877	72%	0.719	S	S	*	*			trans	-51.1	90.3	153.4	-76.8	-40.2	0	0	0	108.6	N319	N319-D321 PolarHBondContact O-N 2.98Å
322	N	29.6	Very low	43.7	Very low	142 Å²	142	123.9 Å²	123.9	76%	0.759	69%	0.692	S	S	*	*			trans	-151.7	98.1	164	-105.5	-17.1	0	0	0	109.3	S320 N324	S320-N322 PolarHBondContact O-N 3.37Å; N322-N324 PolarHBondContact O-N 3.2Å; N322-N324 VanDerWaalsContact O-N 3.11Å
323	H	39.9	Very low	45.7	Very low	177 Å²	177	121.1 Å²	121.1	82%	0.819	67%	0.67	S	S	*	*			trans	-42.8	111.2	148.3	-94.6	-79.3	0	0	0	108.8
324	N	35.3	Very low	47.9	Very low	145 Å²	145	118.2 Å²	118.2	78%	0.775	65%	0.654	S	S	*	*			trans	175	103.1	140.8	-83.1	-21.7	0	0	0	111.3	N322 E326	N322-N324 PolarHBondContact O-N 3.2Å; N322-N324 VanDerWaalsContact O-N 3.11Å; N324-E326 PolarHBondContact O-N 2.94Å
325	Q	45.5	Very low	50.5	Low	180 Å²	180	112.6 Å²	112.6	84%	0.841	62%	0.623	S	S	*	*			trans	36.5	73.9	133.9	-151.2	163.3	6.3	0	0	117.5	N327	Q325-N327 PolarHBondContact O-N 2.74Å
326	E	44.7	Very low	52.9	Low	164 Å²	164	108.2 Å²	108.2	77%	0.766	59%	0.592	S	S	*	*			trans	-75.6	118.1	158.7	-78.6	-168.4	168.9	0	0	109.6	N324 A328	N324-E326 PolarHBondContact O-N 2.94Å; E326-A328 PolarHBondContact O-N 3.23Å
327	N	51.5	Low	55.5	Low	149 Å²	149	109.7 Å²	109.7	80%	0.797	59%	0.587	S	S	*	*			trans	-47.3	100.5	-166.8	-66.2	-35.2	0	0	0	115	Q325	Q325-N327 PolarHBondContact O-N 2.74Å
328	A	60.3	Low	58.1	Low	32 Å²	32	109.5 Å²	109.5	26%	0.264	58%	0.577	S	S	.	*			trans	-63.8	142	158.8	0	0	0	0	0	109.6	E326 E332 T333 A1257	E326-A328 PolarHBondContact O-N 3.23Å; A328-E332 WeakPolarHBondContact CA-OE2 3.31Å; A328-E332 HydrophobicContact CB-CB 4.45Å; A328-T333 HydrophobicContact CB-CG2 4.02Å; A328-A1257 HydrophobicContact CB-CB 4.09Å
329	S	68.5	Low	60.4	Low	62 Å²	62	103 Å²	103	43%	0.434	54%	0.542	S	S	.	.			trans	-62.9	154.2	179.4	177.6	0	0	0	0	111.3	C331 E332 T333	S329-C331 PolarHBondContact O-N 3.37Å; S329-E332 PolarHBondContact N-OE2 3.11Å; S329-E332 WeakPolarHBondContact O-CB 3.44Å; S329-E332 PolarHBondContact O-N 3.49Å; S329-T333 PolarHBondContact O-N 3.31Å; S329-T333 PolarHBondContact O-OG1 3.03Å
330	C	70	Confident	63	Low	102 Å²	102	97.7 Å²	97.7	69%	0.689	51%	0.514	S	S	*	.	H	α-helix	trans	-54.6	-40.4	174.4	-175	0	0	0	0	111.4	T333 L334	C330-T333 WeakPolarHBondContact CA-OG1 3.27Å; C330-T333 PolarHBondContact O-N 3.25Å; C330-T333 PolarHBondContact O-OG1 2.91Å; C330-L334 VanDerWaalsContact O-CB 3.32Å; C330-L334 WeakPolarHBondContact O-CB 3.44Å; C330-L334 PolarHBondContact O-N 2.99Å
331	C	71.2	Confident	65.8	Low	72 Å²	72	98.9 Å²	98.9	49%	0.486	51%	0.513	S	S	.	.	H	α-helix	trans	-66.7	-37.9	175.9	-63	0	0	0	0	112.5	S329 L334 G335	S329-C331 PolarHBondContact O-N 3.37Å; C331-L334 PolarHBondContact O-N 3.23Å; C331-G335 PolarHBondContact O-N 2.9Å
332	E	75.4	Confident	68.3	Low	54 Å²	54	92 Å²	92	25%	0.252	48%	0.476	S	S	.	.	H	α-helix	trans	-67.6	-39.5	179	-69.7	177.2	151.5	0	0	111.8	A328 S329 E336 A1257	A328-E332 WeakPolarHBondContact CA-OE2 3.31Å; A328-E332 HydrophobicContact CB-CB 4.45Å; S329-E332 PolarHBondContact N-OE2 3.11Å; S329-E332 WeakPolarHBondContact O-CB 3.44Å; S329-E332 PolarHBondContact O-N 3.49Å; E332-E336 PolarHBondContact O-N 3Å; E332-A1257 HydrophobicContact CB-CB 4.39Å
333	T	77.5	Confident	71.1	Confident	60 Å²	60	88.4 Å²	88.4	37%	0.368	45%	0.452	S	S	.	.	H	α-helix	trans	-72.9	-37.7	176.7	37.9	0	0	0	0	112.5	A328 S329 C330 R337 A1257	A328-T333 HydrophobicContact CB-CG2 4.02Å; S329-T333 PolarHBondContact O-N 3.31Å; S329-T333 PolarHBondContact O-OG1 3.03Å; C330-T333 WeakPolarHBondContact CA-OG1 3.27Å; C330-T333 PolarHBondContact O-N 3.25Å; C330-T333 PolarHBondContact O-OG1 2.91Å; T333-R337 WeakPolarHBondContact O-CG 3.42Å; T333-R337 PolarHBondContact O-N 2.9Å; T333-R337 VanDerWaalsContact O-N 3.15Å; T333-A1257 HydrophobicContact CG2-CB 4.43Å
334	L	81.4	Confident	73.5	Confident	91 Å²	91	83.8 Å²	83.8	48%	0.476	44%	0.436	S	S	.	.	H	α-helix	trans	-64.1	-43.9	171.8	-164.6	91.4	0	0	0	111.2	C330 C331 R337 F338 F1118	C330-L334 VanDerWaalsContact O-CB 3.32Å; C330-L334 WeakPolarHBondContact O-CB 3.44Å; C330-L334 PolarHBondContact O-N 2.99Å; C331-L334 PolarHBondContact O-N 3.23Å; L334-R337 PolarHBondContact O-N 2.96Å; L334-F338 WeakPolarHBondContact O-CB 3.37Å; L334-F338 PolarHBondContact O-N 3.5Å; L334-F1118 HydrophobicContact CD2-CD2 3.88Å; L334-F1118 HydrophobicContact CD2-CE2 3.69Å
335	G	80.9	Confident	76.3	Confident	0 Å²	0	82.5 Å²	82.5	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-62	-43.6	177.8	0	0	0	0	0	112.9	C331 F338 E339	C331-G335 PolarHBondContact O-N 2.9Å; G335-F338 PolarHBondContact O-N 3.21Å; G335-E339 WeakPolarHBondContact O-CB 3.42Å; G335-E339 PolarHBondContact O-N 3.45Å
336	E	83.5	Confident	78.7	Confident	35 Å²	35	74.5 Å²	74.5	16%	0.164	39%	0.386	C	S	.	.	H	α-helix	trans	-61.9	-44.6	174.7	-171.7	-76.7	152.4	0	0	111.8	E332 F338 E339 N340 A1257 K1258 A1261 R1265	E332-E336 PolarHBondContact O-N 3Å; E336-F338 VanDerWaalsContact C-N 3.35Å; E336-F338 PolarHBondContact O-N 2.84Å; E336-E339 PolarHBondContact O-N 2.68Å; E336-N340 VanDerWaalsContact O-CB 3.28Å; E336-N340 WeakPolarHBondContact O-CB 3.5Å; E336-N340 PolarHBondContact O-N 2.97Å; E336-A1257 HydrophobicContact CB-CB 4.1Å; E336-A1257 HydrophobicContact CG-CB 4.46Å; E336-K1258 HydrophobicContact CB-CG 4.44Å; E336-K1258 HydrophobicContact CG-CG 4.48Å; E336-A1261 HydrophobicContact CG-CB 4.01Å; E336-A1261 WeakPolarHBondContact OE1-CB 3.48Å; E336-R1265 IonicContact OE1-NH2 3.63Å; E336-R1265 PolarHBondContact OE1-NH2 2.91Å; E336-R1265 VanDerWaalsContact OE1-NH2 3.14Å
337	R	84.6	Confident	81	Confident	185 Å²	185	68.5 Å²	68.5	70%	0.698	36%	0.363	S	S	*	.	H	α-helix	trans	-61.1	-44.2	178	-76.6	179.5	179	-174.1	1.3	111.9	T333 L334 N340 L341	T333-R337 WeakPolarHBondContact O-CG 3.42Å; T333-R337 PolarHBondContact O-N 2.9Å; T333-R337 VanDerWaalsContact O-N 3.15Å; L334-R337 PolarHBondContact O-N 2.96Å; R337-N340 PolarHBondContact O-N 3.38Å; R337-L341 WeakPolarHBondContact O-CB 3.1Å; R337-L341 PolarHBondContact O-N 3.45Å
338	F	86.1	Confident	83	Confident	70 Å²	70	65.5 Å²	65.5	31%	0.307	35%	0.353	S	S	.	.	H	α-helix	trans	-64.3	-45.9	178.7	-177.6	-103.1	0	0	0	111.5	L334 G335 E336 N340 L341 L342 L1115	L334-F338 WeakPolarHBondContact O-CB 3.37Å; L334-F338 PolarHBondContact O-N 3.5Å; G335-F338 PolarHBondContact O-N 3.21Å; E336-F338 VanDerWaalsContact C-N 3.35Å; E336-F338 PolarHBondContact O-N 2.84Å; F338-N340 PolarHBondContact O-N 3.38Å; F338-L341 WeakPolarHBondContact O-CB 3.36Å; F338-L341 PolarHBondContact O-N 3.08Å; F338-L342 HydrophobicContact CD1-CD1 4Å; F338-L342 HydrophobicContact CE1-CD1 3.42Å; F338-L342 VanDerWaalsContact CE1-CD1 3.42Å; F338-L342 HydrophobicContact CE1-CG 4.24Å; F338-L342 HydrophobicContact CZ-CD1 3.81Å; F338-L342 HydrophobicContact CZ-CG 4.28Å; F338-L342 PolarHBondContact O-N 3.02Å; F338-L1115 HydrophobicContact CE1-CD2 3.92Å; F338-L1115 HydrophobicContact CZ-CD2 3.92Å
339	E	83.8	Confident	84.6	Confident	29 Å²	29	68.5 Å²	68.5	14%	0.136	36%	0.358	C	S	.	.	H	α-helix	trans	-64.8	-39.8	177.9	-177.1	163.3	-160.6	0	0	112.2	G335 E336 L341 L342 R343 R1172 V1176 K1258	G335-E339 WeakPolarHBondContact O-CB 3.42Å; G335-E339 PolarHBondContact O-N 3.45Å; E336-E339 PolarHBondContact O-N 2.68Å; E339-L341 VanDerWaalsContact C-N 3.34Å; E339-L342 PolarHBondContact O-N 2.86Å; E339-R343 WeakPolarHBondContact O-CB 3.23Å; E339-R343 PolarHBondContact O-N 3.22Å; E339-R1172 IonicContact OE1-CZ 3.59Å; E339-R1172 IonicContact OE1-NE 2.62Å; E339-R1172 IonicContact OE1-NH2 3.75Å; E339-R1172 PolarHBondContact OE1-NH2 3.4Å; E339-V1176 VanDerWaalsContact OE1-CG2 3.27Å; E339-V1176 WeakPolarHBondContact OE1-CG2 3.25Å; E339-K1258 WeakPolarHBondContact OE2-CD 3.47Å; E339-K1258 WeakPolarHBondContact OE2-CE 3.35Å; E339-K1258 IonicContact OE2-NZ 3.42Å; E339-K1258 PolarHBondContact OE2-NZ 3.31Å
340	N	85.9	Confident	85.8	Confident	55 Å²	55	65.5 Å²	65.5	29%	0.294	34%	0.337	S	S	.	.	H	α-helix	trans	-67.5	-34.8	176.4	-165.5	33.7	0	0	0	112.2	E336 R337 F338 R343 T344 R1265	E336-N340 VanDerWaalsContact O-CB 3.28Å; E336-N340 WeakPolarHBondContact O-CB 3.5Å; E336-N340 PolarHBondContact O-N 2.97Å; R337-N340 PolarHBondContact O-N 3.38Å; F338-N340 PolarHBondContact O-N 3.38Å; N340-R343 PolarHBondContact O-N 3.09Å; N340-T344 WeakPolarHBondContact O-CB 3.3Å; N340-T344 WeakPolarHBondContact O-CG2 3.43Å; N340-T344 PolarHBondContact O-N 3.46Å; N340-T344 PolarHBondContact O-OG1 3.01Å; N340-R1265 VanDerWaalsContact CG-NH2 3.34Å; N340-R1265 PolarHBondContact OD1-NH2 2.71Å; N340-R1265 VanDerWaalsContact OD1-NH2 3.11Å
341	L	89.5	Confident	86.9	Confident	108 Å²	108	61.7 Å²	61.7	57%	0.565	31%	0.311	S	S	*	.	H	α-helix	trans	-63.4	-47.3	173.3	-176.5	148.8	0	0	0	111.2	R337 F338 E339 R343 T344 F345	R337-L341 WeakPolarHBondContact O-CB 3.1Å; R337-L341 PolarHBondContact O-N 3.45Å; F338-L341 WeakPolarHBondContact O-CB 3.36Å; F338-L341 PolarHBondContact O-N 3.08Å; E339-L341 VanDerWaalsContact C-N 3.34Å; L341-R343 VanDerWaalsContact C-N 3.35Å; L341-R343 PolarHBondContact O-N 3.5Å; L341-T344 PolarHBondContact O-N 3.43Å; L341-T344 PolarHBondContact O-OG1 3.37Å; L341-F345 WeakPolarHBondContact O-CB 3.4Å; L341-F345 PolarHBondContact O-N 3.11Å
342	L	89.1	Confident	88	Confident	21 Å²	21	62.7 Å²	62.7	11%	0.11	31%	0.307	C	S	.	.	H	α-helix	trans	-60.4	-44.9	175.4	-74.1	172.9	0	0	0	111.5	F338 E339 T344 F345 F346 P740	F338-L342 HydrophobicContact CD1-CD1 4Å; F338-L342 HydrophobicContact CE1-CD1 3.42Å; F338-L342 VanDerWaalsContact CE1-CD1 3.42Å; F338-L342 HydrophobicContact CE1-CG 4.24Å; F338-L342 HydrophobicContact CZ-CD1 3.81Å; F338-L342 HydrophobicContact CZ-CG 4.28Å; F338-L342 PolarHBondContact O-N 3.02Å; E339-L342 PolarHBondContact O-N 2.86Å; L342-T344 PolarHBondContact O-N 3.04Å; L342-F345 PolarHBondContact O-N 3.1Å; L342-F346 HydrophobicContact CB-CD2 4.46Å; L342-F346 HydrophobicContact CB-CE2 4.5Å; L342-F346 HydrophobicContact CD2-CE2 4.11Å; L342-F346 WeakPolarHBondContact O-CD2 3.49Å; L342-F346 PolarHBondContact O-N 3.01Å; L342-P740 HydrophobicContact CB-CG 4.21Å
343	R	88.8	Confident	88.9	Confident	66 Å²	66	60.1 Å²	60.1	25%	0.249	30%	0.295	C	S	.	.	H	α-helix	trans	-59.5	-47.6	178.5	-178.5	178.9	-169.1	-166	2.5	112.6	E339 N340 L341 S347 G736 D737 R1265	E339-R343 WeakPolarHBondContact O-CB 3.23Å; E339-R343 PolarHBondContact O-N 3.22Å; N340-R343 PolarHBondContact O-N 3.09Å; L341-R343 VanDerWaalsContact C-N 3.35Å; L341-R343 PolarHBondContact O-N 3.5Å; R343-S347 WeakPolarHBondContact O-CB 3.33Å; R343-S347 PolarHBondContact O-N 2.85Å; R343-G736 WeakPolarHBondContact CG-O 3.45Å; R343-D737 IonicContact CZ-OD1 3.19Å; R343-D737 IonicContact NE-OD1 2.73Å; R343-D737 PolarHBondContact NE-OD1 2.96Å; R343-D737 IonicContact NH2-OD1 2.76Å; R343-D737 PolarHBondContact NH2-OD1 3.3Å; R343-D737 IonicContact NH2-OD2 3.6Å; R343-D737 PolarHBondContact NH2-OD2 3.26Å; R343-R1265 VanDerWaalsContact NH1-CD 3.32Å
344	T	90.6	Very high	89.7	Confident	79 Å²	79	58.2 Å²	58.2	49%	0.485	28%	0.284	S	S	.	.	H	α-helix	trans	-67.7	-40.1	-179.6	46.9	0	0	0	0	111.9	N340 L341 L342 S347 S348	N340-T344 WeakPolarHBondContact O-CB 3.3Å; N340-T344 WeakPolarHBondContact O-CG2 3.43Å; N340-T344 PolarHBondContact O-N 3.46Å; N340-T344 PolarHBondContact O-OG1 3.01Å; L341-T344 PolarHBondContact O-N 3.43Å; L341-T344 PolarHBondContact O-OG1 3.37Å; L342-T344 PolarHBondContact O-N 3.04Å; T344-S347 PolarHBondContact O-N 2.96Å; T344-S348 WeakPolarHBondContact O-CB 3.46Å; T344-S348 PolarHBondContact O-N 3.23Å
345	F	94.2	Very high	90.3	Very high	119 Å²	119	62 Å²	62	52%	0.522	29%	0.292	S	S	.	.	H	α-helix	trans	-59.2	-54.9	173.9	175.6	-99.5	0	0	0	111.8	L341 L342 S347 S348 W349	L341-F345 WeakPolarHBondContact O-CB 3.4Å; L341-F345 PolarHBondContact O-N 3.11Å; L342-F345 PolarHBondContact O-N 3.1Å; F345-S347 VanDerWaalsContact C-N 3.3Å; F345-S347 PolarHBondContact O-N 3.43Å; F345-S348 PolarHBondContact O-N 3.18Å; F345-W349 WeakPolarHBondContact O-CB 3.31Å; F345-W349 PolarHBondContact O-N 3.4Å
346	F	94.8	Very high	90.9	Very high	12 Å²	12	66 Å²	66	5%	0.053	31%	0.31	C	S	.	.	H	α-helix	trans	-66.8	-30.9	-179.5	-74.4	-59.6	0	0	0	113	L342 W349 G350 A739 P740 F743 F779 I783	L342-F346 HydrophobicContact CB-CD2 4.46Å; L342-F346 HydrophobicContact CB-CE2 4.5Å; L342-F346 HydrophobicContact CD2-CE2 4.11Å; L342-F346 WeakPolarHBondContact O-CD2 3.49Å; L342-F346 PolarHBondContact O-N 3.01Å; F346-W349 PolarHBondContact O-N 3.32Å; F346-G350 PolarHBondContact O-N 3.01Å; F346-A739 HydrophobicContact CB-CB 3.81Å; F346-A739 HydrophobicContact CD1-CB 3.76Å; F346-A739 HydrophobicContact CD2-CB 3.7Å; F346-A739 HydrophobicContact CE1-CB 4.23Å; F346-A739 HydrophobicContact CE2-CB 4.17Å; F346-A739 HydrophobicContact CG-CB 3.49Å; F346-A739 VanDerWaalsContact CG-CB 3.49Å; F346-A739 HydrophobicContact CZ-CB 4.42Å; F346-P740 HydrophobicContact CD2-CG 4.18Å; F346-F743 HydrophobicContact CE2-CB 4.45Å; F346-F743 HydrophobicContact CZ-CB 4.2Å; F346-F743 HydrophobicContact CZ-CG 4.33Å; F346-F779 HydrophobicContact CE1-CZ 4.44Å; F346-F779 HydrophobicContact CZ-CZ 4.41Å; F346-I783 HydrophobicContact CD1-CD1 4.29Å; F346-I783 HydrophobicContact CD1-CG1 4.2Å; F346-I783 HydrophobicContact CE1-CD1 4.44Å; F346-I783 HydrophobicContact CE1-CG1 4.22Å
347	S	92.8	Very high	91.3	Very high	38 Å²	38	65.4 Å²	65.4	27%	0.266	31%	0.309	S	S	.	.	H	α-helix	trans	-67.6	-43.5	174.6	179.2	0	0	0	0	112.5	R343 T344 F345 S351 G732	R343-S347 WeakPolarHBondContact O-CB 3.33Å; R343-S347 PolarHBondContact O-N 2.85Å; T344-S347 PolarHBondContact O-N 2.96Å; F345-S347 VanDerWaalsContact C-N 3.3Å; F345-S347 PolarHBondContact O-N 3.43Å; S347-S351 WeakPolarHBondContact O-CB 3.36Å; S347-S351 PolarHBondContact O-N 2.91Å; S347-G732 VanDerWaalsContact CA-O 3.23Å; S347-G732 WeakPolarHBondContact CA-O 3.35Å; S347-G732 WeakPolarHBondContact CB-O 3.12Å; S347-G732 PolarHBondContact OG-O 3.18Å
348	S	93.9	Very high	91.6	Very high	85 Å²	85	60.8 Å²	60.8	59%	0.594	31%	0.306	S	S	*	.	H	α-helix	trans	-64	-42.7	174	-174.3	0	0	0	0	111.6	T344 F345 S351 F352	T344-S348 WeakPolarHBondContact O-CB 3.46Å; T344-S348 PolarHBondContact O-N 3.23Å; F345-S348 PolarHBondContact O-N 3.18Å; S348-S351 PolarHBondContact O-N 3.27Å; S348-F352 PolarHBondContact O-N 3.35Å
349	W	94.6	Very high	92	Very high	95 Å²	95	61.9 Å²	61.9	36%	0.36	32%	0.318	S	S	.	.	H	α-helix	trans	-63.4	-46.6	177.2	-174.9	-103.9	0	0	0	112.6	F345 F346 S351 F352 C353 I783	F345-W349 WeakPolarHBondContact O-CB 3.31Å; F345-W349 PolarHBondContact O-N 3.4Å; F346-W349 PolarHBondContact O-N 3.32Å; W349-S351 VanDerWaalsContact C-N 3.34Å; W349-S351 PolarHBondContact O-N 3.3Å; W349-F352 HydrophobicContact CZ3-CD1 4.42Å; W349-F352 WeakPolarHBondContact O-CB 3.32Å; W349-F352 PolarHBondContact O-N 3.19Å; W349-F352 VanDerWaalsContact O-N 3.15Å; W349-C353 PolarHBondContact O-N 3.26Å; W349-C353 PolarHBondContact O-SG 3.24Å; W349-C353 VanDerWaalsContact O-SG 3.37Å; W349-I783 PolarHBondContact NE1-O 2.87Å
350	G	93.5	Very high	92.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61.8	-41.6	177.7	0	0	0	0	0	112.6	F346 F352 C353 V354	F346-G350 PolarHBondContact O-N 3.01Å; G350-F352 VanDerWaalsContact C-N 3.33Å; G350-F352 PolarHBondContact O-N 3.13Å; G350-C353 PolarHBondContact O-N 3.3Å; G350-V354 WeakPolarHBondContact O-CG2 3.08Å; G350-V354 PolarHBondContact O-N 3.03Å; G350-V354 VanDerWaalsContact O-N 3.09Å
351	S	93.1	Very high	92.8	Very high	22 Å²	22	60.7 Å²	60.7	15%	0.154	31%	0.313	C	S	.	.	H	α-helix	trans	-59.6	-43	173.4	174	0	0	0	0	111.9	S347 S348 W349 V354 R355 H728	S347-S351 WeakPolarHBondContact O-CB 3.36Å; S347-S351 PolarHBondContact O-N 2.91Å; S348-S351 PolarHBondContact O-N 3.27Å; W349-S351 VanDerWaalsContact C-N 3.34Å; W349-S351 PolarHBondContact O-N 3.3Å; S351-V354 PolarHBondContact O-N 2.88Å; S351-R355 WeakPolarHBondContact O-CB 3.37Å; S351-R355 PolarHBondContact O-N 2.97Å; S351-H728 PolarHBondContact OG-CD2 2.99Å
352	F	94.6	Very high	93	Very high	92 Å²	92	61.1 Å²	61.1	40%	0.404	32%	0.315	S	S	.	.	H	α-helix	trans	-61.5	-47.6	175.3	176	-97.6	0	0	0	112.4	S348 W349 G350 V354 R355 H356 V360	S348-F352 PolarHBondContact O-N 3.35Å; W349-F352 HydrophobicContact CZ3-CD1 4.42Å; W349-F352 WeakPolarHBondContact O-CB 3.32Å; W349-F352 PolarHBondContact O-N 3.19Å; W349-F352 VanDerWaalsContact O-N 3.15Å; G350-F352 VanDerWaalsContact C-N 3.33Å; G350-F352 PolarHBondContact O-N 3.13Å; F352-V354 VanDerWaalsContact C-N 3.33Å; F352-V354 PolarHBondContact O-N 3.45Å; F352-R355 PolarHBondContact O-N 3.28Å; F352-H356 AromaticContact CE2-CD2 3.98Å; F352-H356 PolarHBondContact O-N 3.33Å; F352-V360 HydrophobicContact CD1-CG2 4.43Å; F352-V360 HydrophobicContact CE1-CG2 4.01Å
353	C	94.4	Very high	93.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-57.9	-42.3	178.1	-69.9	0	0	0	0	112.5	W349 G350 P357 V787 S788	W349-C353 PolarHBondContact O-N 3.26Å; W349-C353 PolarHBondContact O-SG 3.24Å; W349-C353 VanDerWaalsContact O-SG 3.37Å; G350-C353 PolarHBondContact O-N 3.3Å; C353-P357 WeakPolarHBondContact O-CA 3.21Å; C353-V787 HydrophobicContact CB-CG1 4.11Å; C353-S788 PolarHBondContact O-OG 3.1Å
354	V	93.6	Very high	93.5	Very high	21 Å²	21	59.7 Å²	59.7	13%	0.127	32%	0.324	C	S	.	.	H	α-helix	trans	-75.1	-30.9	-180	177.7	0	0	0	0	112.5	G350 S351 F352 P357 H728 I731 V787	G350-V354 WeakPolarHBondContact O-CG2 3.08Å; G350-V354 PolarHBondContact O-N 3.03Å; G350-V354 VanDerWaalsContact O-N 3.09Å; S351-V354 PolarHBondContact O-N 2.88Å; F352-V354 VanDerWaalsContact C-N 3.33Å; F352-V354 PolarHBondContact O-N 3.45Å; V354-P357 WeakPolarHBondContact O-CD 3.3Å; V354-H728 HydrophobicContact CB-CB 4.13Å; V354-H728 HydrophobicContact CG1-CB 3.82Å; V354-I731 HydrophobicContact CG1-CD1 4.36Å; V354-I731 HydrophobicContact CG2-CB 3.95Å; V354-I731 HydrophobicContact CG2-CD1 3.94Å; V354-I731 HydrophobicContact CG2-CG2 3.66Å; V354-V787 HydrophobicContact CG2-CG1 4.21Å
355	R	93.3	Very high	93.6	Very high	171 Å²	171	61 Å²	61	65%	0.645	33%	0.327	S	S	*	.	H	α-helix	trans	-75.5	-36.1	179	-169.7	174.6	-178.3	163.5	0.4	112.6	S351 F352 P357	S351-R355 WeakPolarHBondContact O-CB 3.37Å; S351-R355 PolarHBondContact O-N 2.97Å; F352-R355 PolarHBondContact O-N 3.28Å; R355-P357 WeakPolarHBondContact O-CD 3.05Å
356	H	93.8	Very high	93.6	Very high	82 Å²	82	59.5 Å²	59.5	38%	0.38	33%	0.328	S	S	.	.	S	Bend	trans	-123.7	57	-177.6	-62.9	-67.3	0	0	0	113.2	F352 S358 V359 V360	F352-H356 AromaticContact CE2-CD2 3.98Å; F352-H356 PolarHBondContact O-N 3.33Å; H356-S358 PolarHBondContact O-N 2.97Å; H356-V359 PolarHBondContact O-N 2.84Å; H356-V360 PolarHBondContact O-N 3.09Å
357	P	93.2	Very high	93.6	Very high	23 Å²	23	63.9 Å²	63.9	15%	0.149	35%	0.351	C	S	.	.	H	α-helix	trans	-65.7	-36.1	-171.2	26.1	-34.4	0	0	0	112.8	C353 V354 R355 V359 V360 L361 L792	C353-P357 WeakPolarHBondContact O-CA 3.21Å; V354-P357 WeakPolarHBondContact O-CD 3.3Å; R355-P357 WeakPolarHBondContact O-CD 3.05Å; P357-V359 VanDerWaalsContact C-N 3.35Å; P357-V359 PolarHBondContact O-N 3.22Å; P357-V360 PolarHBondContact O-N 2.69Å; P357-L361 WeakPolarHBondContact O-CB 3.35Å; P357-L361 WeakPolarHBondContact O-CG 3.19Å; P357-L361 PolarHBondContact O-N 2.85Å; P357-L792 HydrophobicContact CB-CD1 4.18Å; P357-L792 HydrophobicContact CB-CD2 4.32Å; P357-L792 HydrophobicContact CB-CG 4.11Å; P357-L792 HydrophobicContact CG-CD2 3.89Å; P357-L792 HydrophobicContact CG-CG 4.24Å
358	S	90.6	Very high	93.7	Very high	89 Å²	89	63 Å²	63	62%	0.622	34%	0.344	S	S	*	.	H	α-helix	trans	-64.7	-36.6	-179.8	51	0	0	0	0	113.3	H356 L362	H356-S358 PolarHBondContact O-N 2.97Å; S358-L362 VanDerWaalsContact O-CB 3.3Å; S358-L362 WeakPolarHBondContact O-CB 3.28Å; S358-L362 PolarHBondContact O-N 3.45Å
359	V	93.1	Very high	93.7	Very high	92 Å²	92	63 Å²	63	56%	0.558	34%	0.341	S	S	*	.	H	α-helix	trans	-69.7	-44.9	179	179.2	0	0	0	0	110.2	H356 P357 G363	H356-V359 PolarHBondContact O-N 2.84Å; P357-V359 VanDerWaalsContact C-N 3.35Å; P357-V359 PolarHBondContact O-N 3.22Å; V359-G363 PolarHBondContact O-N 2.72Å
360	V	94.7	Very high	93.7	Very high	19 Å²	19	61.3 Å²	61.3	12%	0.115	35%	0.347	C	S	.	.	H	α-helix	trans	-65.4	-45	179.3	178.3	0	0	0	0	111.2	F352 H356 P357 G363 S364	F352-V360 HydrophobicContact CD1-CG2 4.43Å; F352-V360 HydrophobicContact CE1-CG2 4.01Å; H356-V360 PolarHBondContact O-N 3.09Å; P357-V360 PolarHBondContact O-N 2.69Å; V360-G363 PolarHBondContact O-N 3.05Å; V360-S364 PolarHBondContact O-N 3.23Å; V360-S364 PolarHBondContact O-OG 3.22Å
361	L	93.3	Very high	93.8	Very high	40 Å²	40	62.4 Å²	62.4	21%	0.209	35%	0.354	C	S	.	.	H	α-helix	trans	-64.8	-40.4	178.7	-68.5	173	0	0	0	112.8	P357 S364 L365 C785 L789 L792	P357-L361 WeakPolarHBondContact O-CB 3.35Å; P357-L361 WeakPolarHBondContact O-CG 3.19Å; P357-L361 PolarHBondContact O-N 2.85Å; L361-S364 PolarHBondContact O-OG 2.75Å; L361-S364 VanDerWaalsContact O-OG 3.06Å; L361-L365 VanDerWaalsContact O-CB 3.28Å; L361-L365 WeakPolarHBondContact O-CB 3.16Å; L361-L365 PolarHBondContact O-N 3.24Å; L361-C785 HydrophobicContact CD2-CB 4.4Å; L361-C785 WeakPolarHBondContact CD2-SG 3.42Å; L361-L789 HydrophobicContact CD1-CD2 3.81Å; L361-L789 HydrophobicContact CD2-CD1 4.41Å; L361-L789 HydrophobicContact CD2-CD2 3.86Å; L361-L789 HydrophobicContact CD2-CG 3.88Å; L361-L789 HydrophobicContact CG-CD2 4.5Å; L361-L792 HydrophobicContact CD1-CD1 4.08Å
362	L	93.7	Very high	93.9	Very high	117 Å²	117	62.4 Å²	62.4	61%	0.613	35%	0.354	S	S	*	.	H	α-helix	trans	-66.9	-43	176.1	-173.5	70.4	0	0	0	110.9	S358 L365 V366	S358-L362 VanDerWaalsContact O-CB 3.3Å; S358-L362 WeakPolarHBondContact O-CB 3.28Å; S358-L362 PolarHBondContact O-N 3.45Å; L362-L365 PolarHBondContact O-N 3.37Å; L362-V366 WeakPolarHBondContact O-CG2 3.39Å; L362-V366 PolarHBondContact O-N 2.79Å
363	G	93.7	Very high	93.9	Very high	42 Å²	42	59.5 Å²	59.5	43%	0.433	35%	0.35	S	S	.	.	H	α-helix	trans	-62.4	-44.6	177.5	0	0	0	0	0	113	V359 V360 V366 L367	V359-G363 PolarHBondContact O-N 2.72Å; V360-G363 PolarHBondContact O-N 3.05Å; G363-V366 PolarHBondContact O-N 3.41Å; G363-L367 PolarHBondContact O-N 3.27Å
364	S	93.2	Very high	93.9	Very high	16 Å²	16	59.5 Å²	59.5	11%	0.112	35%	0.35	C	S	.	.	H	α-helix	trans	-66.8	-39.1	177	62.4	0	0	0	0	112.1	V360 L361 L367 V368	V360-S364 PolarHBondContact O-N 3.23Å; V360-S364 PolarHBondContact O-OG 3.22Å; L361-S364 PolarHBondContact O-OG 2.75Å; L361-S364 VanDerWaalsContact O-OG 3.06Å; S364-L367 PolarHBondContact O-N 3.15Å; S364-V368 WeakPolarHBondContact O-CG2 3.21Å; S364-V368 PolarHBondContact O-N 3.48Å
365	L	93.3	Very high	93.9	Very high	106 Å²	106	61.3 Å²	61.3	56%	0.555	36%	0.359	S	S	*	.	H	α-helix	trans	-63.5	-41.9	176.2	-174	68	0	0	0	112.1	L361 L362 L367 V368 T369	L361-L365 VanDerWaalsContact O-CB 3.28Å; L361-L365 WeakPolarHBondContact O-CB 3.16Å; L361-L365 PolarHBondContact O-N 3.24Å; L362-L365 PolarHBondContact O-N 3.37Å; L365-L367 VanDerWaalsContact C-N 3.34Å; L365-V368 PolarHBondContact O-N 3.43Å; L365-T369 HydrophobicContact CD1-CG2 4.49Å; L365-T369 WeakPolarHBondContact O-CB 3.18Å; L365-T369 WeakPolarHBondContact O-CG2 3.02Å; L365-T369 PolarHBondContact O-N 2.76Å; L365-T369 PolarHBondContact O-OG1 2.93Å
366	V	94.9	Very high	93.9	Very high	88 Å²	88	59.1 Å²	59.1	53%	0.533	36%	0.364	S	S	.	.	H	α-helix	trans	-63.2	-42.3	175.2	170.4	0	0	0	0	110.9	L362 G363 T369 A370	L362-V366 WeakPolarHBondContact O-CG2 3.39Å; L362-V366 PolarHBondContact O-N 2.79Å; G363-V366 PolarHBondContact O-N 3.41Å; V366-T369 WeakPolarHBondContact CA-OG1 3.45Å; V366-T369 PolarHBondContact O-OG1 2.96Å; V366-A370 WeakPolarHBondContact O-CB 3.22Å; V366-A370 PolarHBondContact O-N 2.95Å
367	L	93.9	Very high	93.9	Very high	103 Å²	103	62.3 Å²	62.3	54%	0.539	37%	0.374	S	S	.	.	H	α-helix	trans	-62.8	-49.6	177.1	-178	65.6	0	0	0	111.7	G363 S364 L365 T369 A370 C371	G363-L367 PolarHBondContact O-N 3.27Å; S364-L367 PolarHBondContact O-N 3.15Å; L365-L367 VanDerWaalsContact C-N 3.34Å; L367-T369 PolarHBondContact O-N 3.47Å; L367-A370 PolarHBondContact O-N 2.9Å; L367-C371 WeakPolarHBondContact O-CB 2.99Å; L367-C371 PolarHBondContact O-N 3.4Å; L367-C371 PolarHBondContact O-SG 3.08Å
368	V	95.6	Very high	93.8	Very high	19 Å²	19	65 Å²	65	12%	0.115	39%	0.385	C	S	.	.	H	α-helix	trans	-59.5	-48.1	178.9	168.3	0	0	0	0	110.7	S364 L365 A370 C371 S372 L781	S364-V368 WeakPolarHBondContact O-CG2 3.21Å; S364-V368 PolarHBondContact O-N 3.48Å; L365-V368 PolarHBondContact O-N 3.43Å; V368-A370 VanDerWaalsContact C-N 3.34Å; V368-A370 PolarHBondContact O-N 3.49Å; V368-C371 PolarHBondContact O-N 3.32Å; V368-S372 VanDerWaalsContact O-CB 3.25Å; V368-S372 WeakPolarHBondContact O-CB 3.38Å; V368-S372 PolarHBondContact O-N 2.88Å; V368-S372 PolarHBondContact O-OG 3.29Å; V368-L781 HydrophobicContact CG2-CD1 3.92Å; V368-L781 HydrophobicContact CG2-CD2 4.01Å
369	T	93.8	Very high	93.7	Very high	86 Å²	86	69.6 Å²	69.6	53%	0.528	39%	0.389	S	S	.	.	H	α-helix	trans	-63.4	-38.4	-179.8	49.2	0	0	0	0	112.7	L365 V366 L367 G373	L365-T369 HydrophobicContact CD1-CG2 4.49Å; L365-T369 WeakPolarHBondContact O-CB 3.18Å; L365-T369 WeakPolarHBondContact O-CG2 3.02Å; L365-T369 PolarHBondContact O-N 2.76Å; L365-T369 PolarHBondContact O-OG1 2.93Å; V366-T369 WeakPolarHBondContact CA-OG1 3.45Å; V366-T369 PolarHBondContact O-OG1 2.96Å; L367-T369 PolarHBondContact O-N 3.47Å; T369-G373 PolarHBondContact O-N 3.5Å; T369-G373 VanDerWaalsContact O-N 3.08Å
370	A	95.3	Very high	93.5	Very high	60 Å²	60	69.2 Å²	69.2	50%	0.496	38%	0.383	S	S	.	.	H	α-helix	trans	-64.8	-45	175	0	0	0	0	0	112.3	V366 L367 V368 Y684	V366-A370 WeakPolarHBondContact O-CB 3.22Å; V366-A370 PolarHBondContact O-N 2.95Å; L367-A370 PolarHBondContact O-N 2.9Å; V368-A370 VanDerWaalsContact C-N 3.34Å; V368-A370 PolarHBondContact O-N 3.49Å; A370-Y684 PolarHBondContact O-OH 2.84Å
371	C	95.5	Very high	93	Very high	22 Å²	22	69.9 Å²	69.9	15%	0.149	39%	0.387	C	S	.	.	H	α-helix	trans	-67.3	-49.2	178.6	-66	0	0	0	0	111.9	L367 V368 G373 G374 G680 I681	L367-C371 WeakPolarHBondContact O-CB 2.99Å; L367-C371 PolarHBondContact O-N 3.4Å; L367-C371 PolarHBondContact O-SG 3.08Å; V368-C371 PolarHBondContact O-N 3.32Å; C371-G373 PolarHBondContact O-N 2.92Å; C371-G374 PolarHBondContact O-N 2.98Å; C371-G680 CarbonylContact O-C 3.59Å; C371-G680 WeakPolarHBondContact O-CA 3.3Å; C371-I681 HydrophobicContact CB-CD1 4.18Å; C371-I681 HydrophobicContact CB-CG1 4.05Å
372	S	95.5	Very high	92.3	Very high	22 Å²	22	71.1 Å²	71.1	15%	0.154	40%	0.396	C	S	.	.	H	α-helix	trans	-65.2	-22.5	179.2	-67.7	0	0	0	0	113.5	V368 G374 L375 S676	V368-S372 VanDerWaalsContact O-CB 3.25Å; V368-S372 WeakPolarHBondContact O-CB 3.38Å; V368-S372 PolarHBondContact O-N 2.88Å; V368-S372 PolarHBondContact O-OG 3.29Å; S372-G374 PolarHBondContact O-N 3.05Å; S372-G374 VanDerWaalsContact O-N 3.08Å; S372-L375 WeakPolarHBondContact O-CB 3.39Å; S372-L375 WeakPolarHBondContact O-CG 3.49Å; S372-L375 PolarHBondContact O-N 2.97Å; S372-L375 VanDerWaalsContact O-N 3.07Å; S372-S676 WeakPolarHBondContact CB-OG 3.21Å; S372-S676 PolarHBondContact OG-OG 2.97Å
373	G	94.8	Very high	91.6	Very high	31 Å²	31	68.8 Å²	68.8	32%	0.32	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-56.5	-23	175	0	0	0	0	0	114.1	T369 C371 L375 V376	T369-G373 PolarHBondContact O-N 3.5Å; T369-G373 VanDerWaalsContact O-N 3.08Å; C371-G373 PolarHBondContact O-N 2.92Å; G373-L375 PolarHBondContact O-N 3.48Å; G373-V376 PolarHBondContact O-N 3.48Å
374	G	93.8	Very high	91	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-66.5	-16.9	176.8	0	0	0	0	0	114.5	C371 S372 V376 Y377 G680 S683 Y684	C371-G374 PolarHBondContact O-N 2.98Å; S372-G374 PolarHBondContact O-N 3.05Å; S372-G374 VanDerWaalsContact O-N 3.08Å; G374-V376 PolarHBondContact O-N 2.98Å; G374-V376 VanDerWaalsContact O-N 3.08Å; G374-Y377 PolarHBondContact O-N 3.29Å; G374-G680 WeakPolarHBondContact CA-O 3.48Å; G374-S683 WeakPolarHBondContact O-CB 3.35Å; G374-Y684 VanDerWaalsContact CA-CE2 3.43Å; G374-Y684 VanDerWaalsContact N-CZ 3.26Å; G374-Y684 PolarHBondContact N-OH 2.81Å
375	L	93.2	Very high	90.5	Very high	60 Å²	60	69.4 Å²	69.4	31%	0.314	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-59.9	-19.1	176.1	-71.4	171.3	0	0	0	113.5	S372 G373 Y377 M378 S676 L679	S372-L375 WeakPolarHBondContact O-CB 3.39Å; S372-L375 WeakPolarHBondContact O-CG 3.49Å; S372-L375 PolarHBondContact O-N 2.97Å; S372-L375 VanDerWaalsContact O-N 3.07Å; G373-L375 PolarHBondContact O-N 3.48Å; L375-Y377 PolarHBondContact O-N 2.9Å; L375-M378 HydrophobicContact CD2-SD 4.41Å; L375-M378 WeakPolarHBondContact O-CB 3.45Å; L375-M378 PolarHBondContact O-N 3.44Å; L375-S676 WeakPolarHBondContact CD1-OG 3.44Å; L375-L679 HydrophobicContact CD2-CB 3.74Å
376	V	94	Very high	90.1	Very high	125 Å²	125	68.2 Å²	68.2	76%	0.758	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-64	-27.5	173.2	179.1	0	0	0	0	112	G373 G374 M378	G373-V376 PolarHBondContact O-N 3.48Å; G374-V376 PolarHBondContact O-N 2.98Å; G374-V376 VanDerWaalsContact O-N 3.08Å; V376-M378 VanDerWaalsContact C-N 3.33Å
377	Y	93.5	Very high	89.5	Confident	149 Å²	149	65.5 Å²	65.5	58%	0.584	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-94.6	12.4	177.9	-58	-72.6	0	0	0	113	G374 L375 R379 Y684	G374-Y377 PolarHBondContact O-N 3.29Å; L375-Y377 PolarHBondContact O-N 2.9Å; Y377-R379 PolarHBondContact O-N 2.92Å; Y377-Y684 AromaticContact CD2-CD1 3.92Å; Y377-Y684 HydrophobicContact CD2-CD1 3.92Å; Y377-Y684 AromaticContact CD2-CE1 3.94Å; Y377-Y684 HydrophobicContact CD2-CE1 3.94Å; Y377-Y684 HydrophobicContact CE2-CD1 4.15Å; Y377-Y684 AromaticContact CE2-CE1 3.85Å; Y377-Y684 HydrophobicContact CE2-CE1 3.85Å
378	M	90.3	Very high	89	Confident	78 Å²	78	63.6 Å²	63.6	38%	0.384	34%	0.34	S	S	.	.			trans	-60.8	130.7	-178.8	-173.3	-178.5	107.4	0	0	111	L375 V376 I380 L689	L375-M378 HydrophobicContact CD2-SD 4.41Å; L375-M378 WeakPolarHBondContact O-CB 3.45Å; L375-M378 PolarHBondContact O-N 3.44Å; V376-M378 VanDerWaalsContact C-N 3.33Å; M378-I380 HydrophobicContact CE-CD1 3.57Å; M378-I380 HydrophobicContact CE-CG1 3.63Å; M378-L689 HydrophobicContact CG-CD1 3.92Å; M378-L689 HydrophobicContact CG-CD2 3.78Å; M378-L689 HydrophobicContact CG-CG 4.37Å; M378-L689 HydrophobicContact SD-CD2 3.81Å
379	R	89.9	Confident	88.7	Confident	187 Å²	187	62.9 Å²	62.9	71%	0.706	34%	0.336	S	S	*	.			trans	-122.4	133.5	172.6	-64	-179.3	-178	-179.9	-0.9	108.5	Y377 L689	Y377-R379 PolarHBondContact O-N 2.92Å; R379-L689 PolarHBondContact O-N 3.4Å
380	I	87.4	Confident	88.4	Confident	84 Å²	84	60 Å²	60	43%	0.431	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-106	130.9	176.3	-54.1	175.4	0	0	0	107.7	M378 T382 L689 L691 I694	M378-I380 HydrophobicContact CE-CD1 3.57Å; M378-I380 HydrophobicContact CE-CG1 3.63Å; I380-T382 HydrophobicContact CG2-CG2 4.42Å; I380-L689 WeakPolarHBondContact CA-O 3.46Å; I380-L691 HydrophobicContact CG2-CD1 4Å; I380-I694 HydrophobicContact CD1-CD1 4.49Å
381	T	83.6	Confident	88.1	Confident	33 Å²	33	61.5 Å²	61.5	20%	0.202	32%	0.324	C	S	.	.			trans	-98.1	120.2	171.3	-59.5	0	0	0	0	109.2	E386 L387 P688 L689	T381-E386 HydrophobicContact CG2-CB 3.62Å; T381-E386 HydrophobicContact CG2-CG 4.38Å; T381-L387 HydrophobicContact CG2-CD2 4.32Å; T381-L387 HydrophobicContact CG2-CG 4.26Å; T381-P688 VanDerWaalsContact OG1-CB 3.3Å; T381-P688 WeakPolarHBondContact OG1-CB 3.32Å; T381-L689 PolarHBondContact N-O 3.33Å
382	T	79.6	Confident	87.8	Confident	65 Å²	65	64 Å²	64	40%	0.399	35%	0.346	S	S	.	.			trans	-103.2	-22.4	174.1	56.8	0	0	0	0	112.7	I380 P384	I380-T382 HydrophobicContact CG2-CG2 4.42Å; T382-P384 WeakPolarHBondContact O-CD 3.31Å; T382-P384 VanDerWaalsContact O-N 3.16Å
383	D	78.8	Confident	87.7	Confident	68 Å²	68	63.8 Å²	63.8	36%	0.364	35%	0.345	S	S	.	.			trans	-58.7	117.9	-179.3	-176.6	-18.3	0	0	0	111	V385 E386 L387	D383-V385 PolarHBondContact O-N 3.46Å; D383-V385 WeakPolarHBondContact OD1-CB 3.23Å; D383-V385 WeakPolarHBondContact OD1-CG2 3.49Å; D383-V385 PolarHBondContact OD1-N 2.86Å; D383-E386 HydrophobicContact CB-CB 4.33Å; D383-E386 HydrophobicContact CB-CG 4.18Å; D383-E386 PolarHBondContact O-N 3.3Å; D383-L387 WeakPolarHBondContact O-CG 3.45Å; D383-L387 PolarHBondContact O-N 3.49Å
384	P	80.8	Confident	87.7	Confident	52 Å²	52	67 Å²	67	34%	0.338	35%	0.352	S	S	.	.	H	α-helix	trans	-63	-29.2	-178.2	26.5	-35.2	0	0	0	112.6	T382 L387 W388 F1086	T382-P384 WeakPolarHBondContact O-CD 3.31Å; T382-P384 VanDerWaalsContact O-N 3.16Å; P384-L387 PolarHBondContact O-N 3.08Å; P384-W388 WeakPolarHBondContact O-CB 3.47Å; P384-W388 PolarHBondContact O-N 2.73Å; P384-F1086 HydrophobicContact CB-CE1 3.91Å; P384-F1086 HydrophobicContact CB-CZ 4.46Å; P384-F1086 HydrophobicContact CG-CE1 4.25Å; P384-F1086 HydrophobicContact CG-CZ 4.34Å
385	V	83.8	Confident	87.7	Confident	20 Å²	20	67.1 Å²	67.1	12%	0.121	35%	0.352	C	S	.	.	H	α-helix	trans	-69.7	-38.1	-179.1	-162.8	0	0	0	0	110.5	D383 S389 R396 V1085 F1086	D383-V385 PolarHBondContact O-N 3.46Å; D383-V385 WeakPolarHBondContact OD1-CB 3.23Å; D383-V385 WeakPolarHBondContact OD1-CG2 3.49Å; D383-V385 PolarHBondContact OD1-N 2.86Å; V385-S389 WeakPolarHBondContact O-CA 3.24Å; V385-S389 WeakPolarHBondContact O-CB 3.34Å; V385-S389 PolarHBondContact O-N 3Å; V385-R396 PolarHBondContact O-NH1 3.34Å; V385-V1085 HydrophobicContact CG1-CB 4.26Å; V385-V1085 HydrophobicContact CG1-CG2 4.04Å; V385-F1086 HydrophobicContact CB-CE1 4.42Å; V385-F1086 HydrophobicContact CG2-CE1 3.9Å; V385-F1086 HydrophobicContact CG2-CZ 3.71Å
386	E	84.8	Confident	87.7	Confident	81 Å²	81	65.6 Å²	65.6	38%	0.379	34%	0.342	S	S	.	.	H	α-helix	trans	-71.7	-31.1	175.3	-67.7	-59.1	136.3	0	0	112.9	T381 D383 R396	T381-E386 HydrophobicContact CG2-CB 3.62Å; T381-E386 HydrophobicContact CG2-CG 4.38Å; D383-E386 HydrophobicContact CB-CB 4.33Å; D383-E386 HydrophobicContact CB-CG 4.18Å; D383-E386 PolarHBondContact O-N 3.3Å; E386-R396 IonicContact OE1-CZ 3.11Å; E386-R396 IonicContact OE1-NH1 3.66Å; E386-R396 PolarHBondContact OE1-NH1 3.19Å; E386-R396 IonicContact OE1-NH2 2.67Å; E386-R396 PolarHBondContact OE1-NH2 3.35Å
387	L	82.3	Confident	87.7	Confident	30 Å²	30	65.2 Å²	65.2	16%	0.157	33%	0.332	C	S	.	.	H	α-helix	trans	-74.8	-43.6	-179.7	-70.7	170.4	0	0	0	112.5	T381 D383 P384 T690 A763	T381-L387 HydrophobicContact CG2-CD2 4.32Å; T381-L387 HydrophobicContact CG2-CG 4.26Å; D383-L387 WeakPolarHBondContact O-CG 3.45Å; D383-L387 PolarHBondContact O-N 3.49Å; P384-L387 PolarHBondContact O-N 3.08Å; L387-T690 HydrophobicContact CD2-CG2 3.34Å; L387-A763 PolarHBondContact O-N 3Å
388	W	83.9	Confident	87.8	Confident	63 Å²	63	58.8 Å²	58.8	24%	0.239	31%	0.308	C	S	.	.	H	α-helix	trans	-104.2	-20.3	-168.4	-58.7	116.5	0	0	0	114.3	P384 I692 A763 A1150 V1151	P384-W388 WeakPolarHBondContact O-CB 3.47Å; P384-W388 PolarHBondContact O-N 2.73Å; W388-I692 HydrophobicContact CH2-CD1 3.81Å; W388-I692 HydrophobicContact CZ2-CD1 4.38Å; W388-A763 HydrophobicContact CZ3-CB 4.26Å; W388-A1150 HydrophobicContact CE3-CB 4.03Å; W388-A1150 HydrophobicContact CZ3-CB 3.61Å; W388-V1151 HydrophobicContact CH2-CG2 3.79Å; W388-V1151 HydrophobicContact CZ3-CG2 4.43Å
389	S	88	Confident	88	Confident	4 Å²	4	56.8 Å²	56.8	3%	0.028	30%	0.297	C	S	.	.	S	Bend	trans	-109.7	127.9	-178.6	-152.1	0	0	0	0	111.3	V385 S393 V1085	V385-S389 WeakPolarHBondContact O-CA 3.24Å; V385-S389 WeakPolarHBondContact O-CB 3.34Å; V385-S389 PolarHBondContact O-N 3Å; S389-S393 PolarHBondContact OG-OG 3.04Å; S389-V1085 PolarHBondContact OG-O 3.2Å; S389-V1085 VanDerWaalsContact OG-O 3.14Å
390	S	88.6	Confident	88.2	Confident	26 Å²	26	51.5 Å²	51.5	18%	0.182	28%	0.282	C	S	.	.			trans	-68.1	136.5	174.8	-163.8	0	0	0	0	110.1	A392 S393 R396 N760	S390-A392 PolarHBondContact O-N 3.38Å; S390-A392 VanDerWaalsContact O-N 3.09Å; S390-S393 WeakPolarHBondContact O-CB 3.43Å; S390-S393 PolarHBondContact O-N 2.9Å; S390-S393 PolarHBondContact O-OG 2.93Å; S390-R396 WeakPolarHBondContact O-CB 3.39Å; S390-N760 VanDerWaalsContact CB-O 3.3Å; S390-N760 WeakPolarHBondContact CB-O 3.16Å; S390-N760 PolarHBondContact OG-O 3.47Å
391	P	87.9	Confident	88.6	Confident	91 Å²	91	49.6 Å²	49.6	59%	0.591	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-21.6	177.8	24.9	-34.5	0	0	0	113.2
392	A	90.1	Very high	89.1	Confident	74 Å²	74	48.4 Å²	48.4	61%	0.612	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	0.7	177.1	0	0	0	0	0	113.7	S390 Q397	S390-A392 PolarHBondContact O-N 3.38Å; S390-A392 VanDerWaalsContact O-N 3.09Å; A392-Q397 PolarHBondContact O-NE2 2.99Å
393	S	92.8	Very high	89.8	Confident	19 Å²	19	45.9 Å²	45.9	13%	0.133	25%	0.246	C	C	.	.	S	Bend	trans	-68.4	156.5	-179.4	74.1	0	0	0	0	111.8	S389 S390 R396 Q397 E1088	S389-S393 PolarHBondContact OG-OG 3.04Å; S390-S393 WeakPolarHBondContact O-CB 3.43Å; S390-S393 PolarHBondContact O-N 2.9Å; S390-S393 PolarHBondContact O-OG 2.93Å; S393-R396 PolarHBondContact O-N 3.21Å; S393-R396 VanDerWaalsContact OG-CB 3.25Å; S393-R396 WeakPolarHBondContact OG-CB 3.22Å; S393-R396 PolarHBondContact OG-N 3.29Å; S393-Q397 WeakPolarHBondContact O-CG 3.43Å; S393-Q397 PolarHBondContact O-N 3.41Å; S393-Q397 VanDerWaalsContact O-N 3.11Å; S393-E1088 VanDerWaalsContact CB-OE2 3.31Å; S393-E1088 WeakPolarHBondContact CB-OE2 3.44Å; S393-E1088 PolarHBondContact OG-OE2 3.4Å
394	Q	94.6	Very high	90.4	Very high	99 Å²	99	50.2 Å²	50.2	46%	0.463	26%	0.264	S	S	.	.	H	α-helix	trans	-64	-45.3	178.4	176.3	-177.3	-9.2	0	0	110.6	R396 Q397 E398 E1088	Q394-R396 VanDerWaalsContact C-N 3.26Å; Q394-R396 PolarHBondContact O-N 2.69Å; Q394-Q397 PolarHBondContact O-N 3.31Å; Q394-E398 HydrophobicContact CG-CG 4.28Å; Q394-E398 WeakPolarHBondContact CG-OE1 3.32Å; Q394-E398 PolarHBondContact NE2-OE1 3.15Å; Q394-E398 WeakPolarHBondContact O-CB 3.5Å; Q394-E398 VanDerWaalsContact O-CG 3.27Å; Q394-E398 WeakPolarHBondContact O-CG 3.28Å; Q394-E398 PolarHBondContact O-N 3.18Å; Q394-E1088 WeakPolarHBondContact CB-OE1 3.15Å
395	A	94.2	Very high	91	Very high	2 Å²	2	49.9 Å²	49.9	2%	0.017	26%	0.258	C	S	.	.	H	α-helix	trans	-64.1	-31.6	179.7	0	0	0	0	0	112.4	K399 V1085 E1088	A395-K399 WeakPolarHBondContact O-CB 3.45Å; A395-K399 PolarHBondContact O-N 2.83Å; A395-V1085 HydrophobicContact CB-CG1 4.14Å; A395-E1088 HydrophobicContact CB-CB 4.15Å; A395-E1088 WeakPolarHBondContact CB-OE2 3.42Å; A395-E1088 PolarHBondContact N-OE1 3.15Å; A395-E1088 PolarHBondContact N-OE2 2.93Å
396	R	93.1	Very high	91.4	Very high	28 Å²	28	50.5 Å²	50.5	11%	0.106	26%	0.259	C	S	.	.	H	α-helix	trans	-71.3	-38.9	176.2	-164.1	74.7	-166.8	-123.4	-0.8	111.9	V385 E386 S390 S393 Q394 K399 N400	V385-R396 PolarHBondContact O-NH1 3.34Å; E386-R396 IonicContact OE1-CZ 3.11Å; E386-R396 IonicContact OE1-NH1 3.66Å; E386-R396 PolarHBondContact OE1-NH1 3.19Å; E386-R396 IonicContact OE1-NH2 2.67Å; E386-R396 PolarHBondContact OE1-NH2 3.35Å; S390-R396 WeakPolarHBondContact O-CB 3.39Å; S393-R396 PolarHBondContact O-N 3.21Å; S393-R396 VanDerWaalsContact OG-CB 3.25Å; S393-R396 WeakPolarHBondContact OG-CB 3.22Å; S393-R396 PolarHBondContact OG-N 3.29Å; Q394-R396 VanDerWaalsContact C-N 3.26Å; Q394-R396 PolarHBondContact O-N 2.69Å; R396-K399 PolarHBondContact O-N 3.29Å; R396-N400 WeakPolarHBondContact O-CB 3.21Å; R396-N400 PolarHBondContact O-N 2.96Å; R396-N400 PolarHBondContact O-ND2 2.81Å; R396-N400 PolarHBondContact O-OD1 3.41Å
397	Q	95	Very high	91.6	Very high	117 Å²	117	47.9 Å²	47.9	55%	0.547	25%	0.254	S	S	.	.	H	α-helix	trans	-64.8	-44.1	173.4	-68.4	174.2	23.8	0	0	111.5	A392 S393 Q394 K399 N400 Y401	A392-Q397 PolarHBondContact O-NE2 2.99Å; S393-Q397 WeakPolarHBondContact O-CG 3.43Å; S393-Q397 PolarHBondContact O-N 3.41Å; S393-Q397 VanDerWaalsContact O-N 3.11Å; Q394-Q397 PolarHBondContact O-N 3.31Å; Q397-K399 VanDerWaalsContact C-N 3.35Å; Q397-K399 PolarHBondContact O-N 3.17Å; Q397-N400 PolarHBondContact O-N 2.95Å; Q397-Y401 WeakPolarHBondContact O-CB 3.41Å; Q397-Y401 PolarHBondContact O-N 3.26Å
398	E	95.6	Very high	92.1	Very high	14 Å²	14	48 Å²	48	7%	0.065	26%	0.256	C	S	.	.	H	α-helix	trans	-60.1	-43.3	175.3	-71	168.5	166.3	0	0	111.3	Q394 Y401 F402 R1063 F1078	Q394-E398 HydrophobicContact CG-CG 4.28Å; Q394-E398 WeakPolarHBondContact CG-OE1 3.32Å; Q394-E398 PolarHBondContact NE2-OE1 3.15Å; Q394-E398 WeakPolarHBondContact O-CB 3.5Å; Q394-E398 VanDerWaalsContact O-CG 3.27Å; Q394-E398 WeakPolarHBondContact O-CG 3.28Å; Q394-E398 PolarHBondContact O-N 3.18Å; E398-Y401 PolarHBondContact O-N 3.39Å; E398-F402 WeakPolarHBondContact O-CB 3.33Å; E398-F402 PolarHBondContact O-N 3.21Å; E398-R1063 IonicContact OE2-NH2 3.38Å; E398-R1063 PolarHBondContact OE2-NH2 3.14Å; E398-F1078 HydrophobicContact CB-CD2 3.69Å; E398-F1078 HydrophobicContact CB-CE2 3.66Å; E398-F1078 HydrophobicContact CB-CG 4.47Å; E398-F1078 HydrophobicContact CB-CZ 4.42Å; E398-F1078 HydrophobicContact CG-CB 4.22Å; E398-F1078 HydrophobicContact CG-CD2 3.56Å; E398-F1078 HydrophobicContact CG-CE2 3.99Å; E398-F1078 HydrophobicContact CG-CG 3.88Å
399	K	94.4	Very high	92.5	Very high	35 Å²	35	46.1 Å²	46.1	15%	0.152	25%	0.25	C	C	.	.	H	α-helix	trans	-61.2	-50.2	173.5	174	171.9	169.4	52	0	112	A395 R396 Q397 Y401 F402 D403 Y1080 V1085	A395-K399 WeakPolarHBondContact O-CB 3.45Å; A395-K399 PolarHBondContact O-N 2.83Å; R396-K399 PolarHBondContact O-N 3.29Å; Q397-K399 VanDerWaalsContact C-N 3.35Å; Q397-K399 PolarHBondContact O-N 3.17Å; K399-Y401 VanDerWaalsContact C-N 3.28Å; K399-Y401 PolarHBondContact O-N 3.01Å; K399-F402 PolarHBondContact O-N 3.18Å; K399-D403 WeakPolarHBondContact CE-OD2 3.47Å; K399-D403 WeakPolarHBondContact CG-OD2 3.38Å; K399-D403 IonicContact NZ-OD1 2.7Å; K399-D403 PolarHBondContact NZ-OD1 3.41Å; K399-D403 IonicContact NZ-OD2 3.69Å; K399-D403 PolarHBondContact NZ-OD2 3.31Å; K399-D403 WeakPolarHBondContact O-CB 3.32Å; K399-D403 PolarHBondContact O-N 2.9Å; K399-Y1080 HydrophobicContact CB-CE2 3.86Å; K399-Y1080 HydrophobicContact CG-CE2 4.07Å; K399-V1085 HydrophobicContact CB-CG1 4Å; K399-V1085 HydrophobicContact CD-CG1 3.89Å
400	N	93.9	Very high	92.6	Very high	76 Å²	76	48.5 Å²	48.5	41%	0.406	26%	0.26	S	S	.	.	H	α-helix	trans	-62.2	-39.6	-178.4	-67.7	-11.7	0	0	0	111.1	R396 Q397 D403 E404	R396-N400 WeakPolarHBondContact O-CB 3.21Å; R396-N400 PolarHBondContact O-N 2.96Å; R396-N400 PolarHBondContact O-ND2 2.81Å; R396-N400 PolarHBondContact O-OD1 3.41Å; Q397-N400 PolarHBondContact O-N 2.95Å; N400-D403 PolarHBondContact O-N 3.03Å; N400-E404 WeakPolarHBondContact O-CB 3.34Å; N400-E404 PolarHBondContact O-N 2.86Å
401	Y	95	Very high	92.9	Very high	45 Å²	45	48.3 Å²	48.3	18%	0.176	26%	0.255	C	S	.	.	H	α-helix	trans	-64.3	-45.1	175.6	-174	-85.7	0	0	0	111.7	Q397 E398 K399 E404 H405 V897 E899 D900 A1039 F1078	Q397-Y401 WeakPolarHBondContact O-CB 3.41Å; Q397-Y401 PolarHBondContact O-N 3.26Å; E398-Y401 PolarHBondContact O-N 3.39Å; K399-Y401 VanDerWaalsContact C-N 3.28Å; K399-Y401 PolarHBondContact O-N 3.01Å; Y401-E404 PolarHBondContact O-N 3.22Å; Y401-H405 AromaticContact CD1-ND1 3.9Å; Y401-H405 AromaticContact CD2-CE1 3.7Å; Y401-H405 AromaticContact CE1-CE1 3.97Å; Y401-H405 AromaticContact CE1-ND1 3.83Å; Y401-H405 AromaticContact CE2-CE1 3.33Å; Y401-H405 WeakPolarHBondContact CE2-CE1 3.48Å; Y401-H405 AromaticContact CE2-ND1 3.95Å; Y401-H405 AromaticContact CZ-CE1 3.5Å; Y401-H405 VanDerWaalsContact CZ-CE1 3.5Å; Y401-H405 AromaticContact CZ-ND1 3.84Å; Y401-H405 AromaticContact CZ-NE2 3.96Å; Y401-H405 PolarHBondContact O-N 2.8Å; Y401-H405 PolarHBondContact O-ND1 3.34Å; Y401-V897 HydrophobicContact CD1-CG1 4.49Å; Y401-V897 HydrophobicContact CE1-CG1 4.19Å; Y401-E899 HydrophobicContact CE1-CG 4.16Å; Y401-E899 WeakPolarHBondContact OH-CA 3.39Å; Y401-D900 PolarHBondContact OH-N 2.91Å; Y401-D900 PolarHBondContact OH-OD2 3.34Å; Y401-A1039 HydrophobicContact CE1-CB 4.05Å; Y401-F1078 AromaticContact CD1-CE1 3.77Å; Y401-F1078 HydrophobicContact CD1-CE1 3.77Å; Y401-F1078 AromaticContact CD1-CZ 3.67Å; Y401-F1078 HydrophobicContact CD1-CZ 3.67Å; Y401-F1078 HydrophobicContact CE1-CE1 4.13Å; Y401-F1078 HydrophobicContact CE1-CZ 4.37Å; Y401-F1078 HydrophobicContact CG-CE1 4.46Å; Y401-F1078 HydrophobicContact CG-CZ 4.37Å
402	F	95.2	Very high	93.2	Very high	8 Å²	8	45.9 Å²	45.9	4%	0.035	24%	0.239	C	C	.	.	H	α-helix	trans	-60.2	-48.9	175.6	-177.6	-85.8	0	0	0	111.5	E398 K399 E404 H405 F406 Y895 V897 Y1041 Y1080	E398-F402 WeakPolarHBondContact O-CB 3.33Å; E398-F402 PolarHBondContact O-N 3.21Å; K399-F402 PolarHBondContact O-N 3.18Å; F402-E404 VanDerWaalsContact C-N 3.29Å; F402-E404 PolarHBondContact O-N 3.5Å; F402-H405 PolarHBondContact O-N 3.49Å; F402-F406 AromaticContact CD2-CD2 3.6Å; F402-F406 HydrophobicContact CD2-CD2 3.6Å; F402-F406 HydrophobicContact CD2-CE2 4.18Å; F402-F406 HydrophobicContact CE1-CB 4.35Å; F402-F406 HydrophobicContact CE2-CB 4.46Å; F402-F406 AromaticContact CE2-CD2 3.75Å; F402-F406 HydrophobicContact CE2-CD2 3.75Å; F402-F406 HydrophobicContact CE2-CE2 4.44Å; F402-F406 HydrophobicContact CE2-CG 4.4Å; F402-F406 HydrophobicContact CG-CD2 4.11Å; F402-F406 HydrophobicContact CZ-CB 4.24Å; F402-F406 HydrophobicContact CZ-CD2 4.35Å; F402-F406 PolarHBondContact O-N 3.14Å; F402-Y895 HydrophobicContact CE2-CD1 4.27Å; F402-Y895 HydrophobicContact CE2-CD2 4.29Å; F402-Y895 AromaticContact CE2-CG 3.91Å; F402-Y895 HydrophobicContact CE2-CG 3.91Å; F402-Y895 HydrophobicContact CZ-CD1 4.45Å; F402-Y895 HydrophobicContact CZ-CD2 4.32Å; F402-Y895 HydrophobicContact CZ-CG 4.26Å; F402-V897 HydrophobicContact CD2-CG2 3.85Å; F402-V897 HydrophobicContact CE2-CG2 4.38Å; F402-Y1041 HydrophobicContact CE2-CD1 4.17Å; F402-Y1080 HydrophobicContact CB-CD1 4.28Å; F402-Y1080 HydrophobicContact CB-CD2 4.27Å; F402-Y1080 HydrophobicContact CB-CE1 4.46Å; F402-Y1080 HydrophobicContact CB-CE2 4.43Å; F402-Y1080 HydrophobicContact CB-CG 4.17Å; F402-Y1080 AromaticContact CD1-CD1 3.81Å; F402-Y1080 HydrophobicContact CD1-CD1 3.81Å; F402-Y1080 AromaticContact CD1-CE1 3.45Å; F402-Y1080 HydrophobicContact CD1-CE1 3.45Å; F402-Y1080 VanDerWaalsContact CD1-CE1 3.45Å; F402-Y1080 AromaticContact CD1-CZ 3.87Å; F402-Y1080 AromaticContact CD2-CD1 3.55Å; F402-Y1080 HydrophobicContact CD2-CD1 3.55Å; F402-Y1080 HydrophobicContact CD2-CE1 4.09Å; F402-Y1080 AromaticContact CD2-CG 3.98Å; F402-Y1080 HydrophobicContact CD2-CG 3.98Å; F402-Y1080 AromaticContact CE1-CD1 3.99Å; F402-Y1080 HydrophobicContact CE1-CD1 3.99Å; F402-Y1080 AromaticContact CE1-CE1 3.58Å; F402-Y1080 HydrophobicContact CE1-CE1 3.58Å; F402-Y1080 AromaticContact CE2-CD1 3.74Å; F402-Y1080 HydrophobicContact CE2-CD1 3.74Å; F402-Y1080 HydrophobicContact CE2-CE1 4.2Å; F402-Y1080 AromaticContact CG-CD1 3.59Å; F402-Y1080 HydrophobicContact CG-CD1 3.59Å; F402-Y1080 HydrophobicContact CG-CD2 4.43Å; F402-Y1080 AromaticContact CG-CE1 3.73Å; F402-Y1080 HydrophobicContact CG-CE1 3.73Å; F402-Y1080 AromaticContact CG-CG 3.96Å; F402-Y1080 HydrophobicContact CG-CG 3.96Å; F402-Y1080 AromaticContact CZ-CD1 3.96Å; F402-Y1080 HydrophobicContact CZ-CD1 3.96Å; F402-Y1080 AromaticContact CZ-CE1 3.97Å; F402-Y1080 HydrophobicContact CZ-CE1 3.97Å
403	D	93.1	Very high	93.4	Very high	11 Å²	11	42.3 Å²	42.3	6%	0.059	21%	0.21	C	C	.	.	H	α-helix	trans	-66.2	-30.2	-177	-65.8	-13.7	0	0	0	112.3	K399 N400 G407 P408 L578	K399-D403 WeakPolarHBondContact CE-OD2 3.47Å; K399-D403 WeakPolarHBondContact CG-OD2 3.38Å; K399-D403 IonicContact NZ-OD1 2.7Å; K399-D403 PolarHBondContact NZ-OD1 3.41Å; K399-D403 IonicContact NZ-OD2 3.69Å; K399-D403 PolarHBondContact NZ-OD2 3.31Å; K399-D403 WeakPolarHBondContact O-CB 3.32Å; K399-D403 PolarHBondContact O-N 2.9Å; N400-D403 PolarHBondContact O-N 3.03Å; D403-G407 CarbonylContact O-C 3.48Å; D403-G407 WeakPolarHBondContact O-CA 3.46Å; D403-G407 PolarHBondContact O-N 3.38Å; D403-P408 WeakPolarHBondContact OD1-CA 3.43Å; D403-L578 HydrophobicContact CB-CD1 3.6Å
404	E	92.4	Very high	93.6	Very high	160 Å²	160	42.5 Å²	42.5	75%	0.748	21%	0.208	S	C	*	.	H	α-helix	trans	-71.5	-40.3	177.7	-175.3	172.5	-171.3	0	0	112.7	N400 Y401 F402	N400-E404 WeakPolarHBondContact O-CB 3.34Å; N400-E404 PolarHBondContact O-N 2.86Å; Y401-E404 PolarHBondContact O-N 3.22Å; F402-E404 VanDerWaalsContact C-N 3.29Å; F402-E404 PolarHBondContact O-N 3.5Å
405	H	92.4	Very high	93.7	Very high	45 Å²	45	37.8 Å²	37.8	21%	0.208	19%	0.186	C	C	.	.	H	α-helix	trans	-89.2	-43.7	-175.8	-65.7	79.4	0	0	0	112.9	Y401 F402 D900 D1029 A1039	Y401-H405 AromaticContact CD1-ND1 3.9Å; Y401-H405 AromaticContact CD2-CE1 3.7Å; Y401-H405 AromaticContact CE1-CE1 3.97Å; Y401-H405 AromaticContact CE1-ND1 3.83Å; Y401-H405 AromaticContact CE2-CE1 3.33Å; Y401-H405 WeakPolarHBondContact CE2-CE1 3.48Å; Y401-H405 AromaticContact CE2-ND1 3.95Å; Y401-H405 AromaticContact CZ-CE1 3.5Å; Y401-H405 VanDerWaalsContact CZ-CE1 3.5Å; Y401-H405 AromaticContact CZ-ND1 3.84Å; Y401-H405 AromaticContact CZ-NE2 3.96Å; Y401-H405 PolarHBondContact O-N 2.8Å; Y401-H405 PolarHBondContact O-ND1 3.34Å; F402-H405 PolarHBondContact O-N 3.49Å; H405-D900 IonicContact CE1-OD2 3.75Å; H405-D900 IonicContact NE2-OD2 2.71Å; H405-D900 PolarHBondContact NE2-OD2 3.12Å; H405-D1029 IonicContact CD2-OD2 3.83Å; H405-D1029 PolarHBondContact CD2-OD2 3.42Å; H405-A1039 HydrophobicContact CB-CB 4.17Å
406	F	91.9	Very high	93.8	Very high	32 Å²	32	37.7 Å²	37.7	14%	0.14	19%	0.186	C	C	.	.	H	α-helix	trans	-106.4	-5.6	-172.2	-51.9	-63.2	0	0	0	113.5	F402 V897 T1026 A1039 Y1041	F402-F406 AromaticContact CD2-CD2 3.6Å; F402-F406 HydrophobicContact CD2-CD2 3.6Å; F402-F406 HydrophobicContact CD2-CE2 4.18Å; F402-F406 HydrophobicContact CE1-CB 4.35Å; F402-F406 HydrophobicContact CE2-CB 4.46Å; F402-F406 AromaticContact CE2-CD2 3.75Å; F402-F406 HydrophobicContact CE2-CD2 3.75Å; F402-F406 HydrophobicContact CE2-CE2 4.44Å; F402-F406 HydrophobicContact CE2-CG 4.4Å; F402-F406 HydrophobicContact CG-CD2 4.11Å; F402-F406 HydrophobicContact CZ-CB 4.24Å; F402-F406 HydrophobicContact CZ-CD2 4.35Å; F402-F406 PolarHBondContact O-N 3.14Å; F406-V897 HydrophobicContact CE2-CG1 3.88Å; F406-V897 HydrophobicContact CE2-CG2 4.43Å; F406-V897 HydrophobicContact CZ-CG1 4.39Å; F406-T1026 WeakPolarHBondContact CD1-O 3.28Å; F406-A1039 HydrophobicContact CE1-CB 4.46Å; F406-A1039 HydrophobicContact CE2-CB 4.31Å; F406-A1039 HydrophobicContact CZ-CB 3.74Å; F406-Y1041 HydrophobicContact CB-CD1 4.49Å; F406-Y1041 HydrophobicContact CB-CE1 4.27Å; F406-Y1041 AromaticContact CD1-CD1 3.72Å; F406-Y1041 HydrophobicContact CD1-CD1 3.72Å; F406-Y1041 AromaticContact CD1-CE1 3.89Å; F406-Y1041 HydrophobicContact CD1-CE1 3.89Å; F406-Y1041 AromaticContact CD2-CD1 3.89Å; F406-Y1041 HydrophobicContact CD2-CD1 3.89Å; F406-Y1041 HydrophobicContact CD2-CE1 4.5Å; F406-Y1041 AromaticContact CE1-CD1 3.79Å; F406-Y1041 HydrophobicContact CE1-CD1 3.79Å; F406-Y1041 HydrophobicContact CE1-CE1 4.34Å; F406-Y1041 AromaticContact CE2-CD1 3.97Å; F406-Y1041 HydrophobicContact CE2-CD1 3.97Å; F406-Y1041 AromaticContact CG-CD1 3.75Å; F406-Y1041 HydrophobicContact CG-CD1 3.75Å; F406-Y1041 AromaticContact CG-CE1 3.96Å; F406-Y1041 HydrophobicContact CG-CE1 3.96Å; F406-Y1041 AromaticContact CZ-CD1 3.91Å; F406-Y1041 HydrophobicContact CZ-CD1 3.91Å
407	G	90.3	Very high	93.9	Very high	26 Å²	26	36.4 Å²	36.4	27%	0.268	18%	0.181	S	C	.	.			trans	79.8	165.7	-167.5	0	0	0	0	0	112.4	D403	D403-G407 CarbonylContact O-C 3.48Å; D403-G407 WeakPolarHBondContact O-CA 3.46Å; D403-G407 PolarHBondContact O-N 3.38Å
408	P	91.3	Very high	94	Very high	32 Å²	32	31.4 Å²	31.4	21%	0.208	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-67.3	145.5	-179	29.5	-36.2	0	0	0	111.6	D403 F410 N576 L578	D403-P408 WeakPolarHBondContact OD1-CA 3.43Å; P408-F410 PolarHBondContact O-N 3.09Å; P408-N576 HydrophobicContact CB-CB 4.07Å; P408-N576 HydrophobicContact CG-CB 3.91Å; P408-N576 VanDerWaalsContact CG-O 3.27Å; P408-N576 WeakPolarHBondContact CG-O 3.34Å; P408-L578 HydrophobicContact CG-CB 4.46Å
409	F	91.9	Very high	93.9	Very high	24 Å²	24	31.9 Å²	31.9	11%	0.105	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-53	135.5	171.9	-174.8	-96.1	0	0	0	111.1	N576 P893 Y895 Y1080 V1082	F409-N576 WeakPolarHBondContact O-CB 3.42Å; F409-N576 PolarHBondContact O-ND2 3.27Å; F409-P893 HydrophobicContact CE2-CG 3.69Å; F409-P893 HydrophobicContact CZ-CG 3.75Å; F409-Y895 AromaticContact CD2-CE2 3.87Å; F409-Y895 HydrophobicContact CD2-CE2 3.87Å; F409-Y895 AromaticContact CE2-CE2 3.77Å; F409-Y895 HydrophobicContact CE2-CE2 3.77Å; F409-Y895 WeakPolarHBondContact CE2-OH 3.17Å; F409-Y1080 HydrophobicContact CB-CE1 4.44Å; F409-V1082 HydrophobicContact CD1-CB 4.36Å; F409-V1082 HydrophobicContact CD1-CG2 4.41Å
410	F	91.9	Very high	93.7	Very high	55 Å²	55	34.2 Å²	34.2	24%	0.241	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-61.9	152.8	-176.6	58.4	-100	0	0	0	112	P408 L476 P573 L574	P408-F410 PolarHBondContact O-N 3.09Å; F410-L476 HydrophobicContact CD1-CD2 4.43Å; F410-P573 HydrophobicContact CD2-CB 3.79Å; F410-P573 HydrophobicContact CE2-CB 4.15Å; F410-P573 HydrophobicContact CG-CB 4.23Å; F410-L574 CarbonylContact C-O 3.58Å; F410-L574 WeakPolarHBondContact CA-O 3.26Å; F410-L574 WeakPolarHBondContact CB-O 3.39Å
411	R	93.7	Very high	93.5	Very high	21 Å²	21	33.5 Å²	33.5	8%	0.079	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	137.3	174.8	-53.9	178.2	61.5	78.2	-4.7	108.7	L574 N576 E591 E613	R411-L574 HydrophobicContact CB-CB 4.26Å; R411-L574 PolarHBondContact N-O 3.49Å; R411-L574 PolarHBondContact O-N 3.38Å; R411-N576 HydrophobicContact CG-CB 3.9Å; R411-E591 IonicContact CZ-OE1 3.93Å; R411-E591 IonicContact CZ-OE2 2.83Å; R411-E591 IonicContact NE-OE1 3.77Å; R411-E591 PolarHBondContact NE-OE1 3.31Å; R411-E591 IonicContact NE-OE2 2.99Å; R411-E591 IonicContact NH2-OE1 2.7Å; R411-E591 PolarHBondContact NH2-OE1 3.38Å; R411-E591 IonicContact NH2-OE2 2.85Å; R411-E591 PolarHBondContact NH2-OE2 3.36Å; R411-E613 HydrophobicContact CB-CB 3.99Å; R411-E613 HydrophobicContact CB-CG 4.15Å; R411-E613 HydrophobicContact CG-CG 4.31Å; R411-E613 VanDerWaalsContact CZ-CG 3.44Å
412	T	93.8	Very high	93	Very high	40 Å²	40	37.7 Å²	37.7	25%	0.245	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	130.5	-178.7	-177.4	0	0	0	0	110.9	T571 E613	T412-T571 WeakPolarHBondContact OG1-CG2 3.47Å; T412-E613 PolarHBondContact O-N 3.3Å
413	T	96.1	Very high	92.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	116.2	166.4	-59.9	0	0	0	0	107.8	T571 F572 F594 S611 A612	T413-T571 CarbonylContact O-C 3.53Å; T413-T571 WeakPolarHBondContact O-CA 3.47Å; T413-F572 PolarHBondContact N-O 3.35Å; T413-F572 VanDerWaalsContact N-O 3.13Å; T413-F572 PolarHBondContact O-N 2.78Å; T413-F594 HydrophobicContact CG2-CD1 3.56Å; T413-F594 HydrophobicContact CG2-CD2 4.31Å; T413-F594 HydrophobicContact CG2-CE1 3.16Å; T413-F594 HydrophobicContact CG2-CE2 3.96Å; T413-F594 HydrophobicContact CG2-CG 4.13Å; T413-F594 HydrophobicContact CG2-CZ 3.38Å; T413-S611 WeakPolarHBondContact CA-O 3.37Å; T413-A612 HydrophobicContact CG2-CB 4.25Å
414	Q	95.4	Very high	92.4	Very high	23 Å²	23	44.9 Å²	44.9	11%	0.107	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	140.7	-170.5	-172.7	171.9	83.5	0	0	111.9	V569 I570 T571 F610 S611 Y880	Q414-V569 HydrophobicContact CG-CG1 3.82Å; Q414-I570 CarbonylContact C-O 3.56Å; Q414-I570 WeakPolarHBondContact CA-O 3.46Å; Q414-T571 PolarHBondContact NE2-OG1 2.98Å; Q414-T571 VanDerWaalsContact NE2-OG1 3.11Å; Q414-F610 VanDerWaalsContact O-CA 3.32Å; Q414-F610 WeakPolarHBondContact O-CA 3.48Å; Q414-S611 PolarHBondContact N-O 2.93Å; Q414-S611 PolarHBondContact O-N 3.5Å; Q414-Y880 HydrophobicContact CB-CE2 4.27Å; Q414-Y880 HydrophobicContact CG-CE2 4.36Å; Q414-Y880 PolarHBondContact OE1-OH 2.85Å
415	L	96.5	Very high	92.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.4	172.2	-63.3	74	0	0	0	108.8	I417 L453 I457 V569 I570 F572 F594 M598 V608 A609 F610	L415-I417 HydrophobicContact CB-CG1 4.34Å; L415-L453 HydrophobicContact CD2-CD2 4.35Å; L415-I457 HydrophobicContact CD2-CD1 3.79Å; L415-V569 WeakPolarHBondContact O-CA 3.41Å; L415-I570 HydrophobicContact CB-CB 4.37Å; L415-I570 PolarHBondContact N-O 3.11Å; L415-I570 PolarHBondContact O-N 3.1Å; L415-F572 HydrophobicContact CD1-CD2 4.05Å; L415-F572 HydrophobicContact CD1-CE2 3.75Å; L415-F594 HydrophobicContact CD1-CE2 3.96Å; L415-F594 HydrophobicContact CD1-CZ 3.65Å; L415-F594 HydrophobicContact CG-CZ 4.22Å; L415-M598 HydrophobicContact CD2-CE 3.69Å; L415-M598 HydrophobicContact CD2-SD 3.96Å; L415-V608 HydrophobicContact CB-CG1 4.36Å; L415-V608 HydrophobicContact CD2-CG1 4.15Å; L415-V608 HydrophobicContact CG-CG1 4.48Å; L415-A609 CarbonylContact C-O 3.53Å; L415-A609 WeakPolarHBondContact CA-O 3.34Å; L415-F610 HydrophobicContact CG-CB 4.13Å
416	I	96.5	Very high	92	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	110.4	170.7	-54.3	172.2	0	0	0	106.6	A567 L568 A609 Y880 N883 L884 Y887 L888	I416-A567 HydrophobicContact CG2-CB 4.09Å; I416-L568 WeakPolarHBondContact CA-O 3.41Å; I416-A609 PolarHBondContact N-O 2.99Å; I416-A609 PolarHBondContact O-N 3.17Å; I416-Y880 HydrophobicContact CD1-CD2 4.06Å; I416-Y880 HydrophobicContact CD1-CE2 3.93Å; I416-Y880 HydrophobicContact CG1-CD2 4.47Å; I416-Y880 HydrophobicContact CG1-CE2 4.28Å; I416-N883 HydrophobicContact CB-CB 4.42Å; I416-N883 HydrophobicContact CD1-CB 4.09Å; I416-N883 HydrophobicContact CG2-CB 4.15Å; I416-L884 HydrophobicContact CD1-CB 4.2Å; I416-L884 HydrophobicContact CD1-CD1 4.39Å; I416-Y887 HydrophobicContact CG2-CD2 4.15Å; I416-L888 HydrophobicContact CD1-CD1 3.81Å; I416-L888 HydrophobicContact CG1-CD1 4.11Å
417	I	96.4	Very high	91.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.5	-173.8	-54.1	173.1	0	0	0	108.5	L415 I441 V450 L453 A567 L568 I570 L606 V608	L415-I417 HydrophobicContact CB-CG1 4.34Å; I417-I441 HydrophobicContact CG2-CD1 4.38Å; I417-V450 HydrophobicContact CD1-CG1 3.72Å; I417-V450 HydrophobicContact CD1-CG2 4.27Å; I417-V450 HydrophobicContact CG2-CG2 4.2Å; I417-L453 HydrophobicContact CD1-CD2 4.17Å; I417-A567 CarbonylContact O-C 3.54Å; I417-A567 VanDerWaalsContact O-CA 3.32Å; I417-A567 WeakPolarHBondContact O-CA 3.29Å; I417-L568 HydrophobicContact CB-CB 4.42Å; I417-L568 PolarHBondContact N-O 3.17Å; I417-L568 PolarHBondContact O-N 3.4Å; I417-I570 HydrophobicContact CD1-CD1 3.82Å; I417-I570 HydrophobicContact CD1-CG1 4.34Å; I417-L606 HydrophobicContact CG2-CB 4.44Å; I417-L606 HydrophobicContact CG2-CD2 3.88Å; I417-V608 HydrophobicContact CG1-CG1 4.14Å; I417-V608 HydrophobicContact CG1-CG2 4.24Å; I417-V608 HydrophobicContact CG2-CG2 4.31Å
418	T	95.5	Very high	91	Very high	13 Å²	13	45.5 Å²	45.5	8%	0.08	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	170.6	172.7	54.4	0	0	0	0	109.8	A567 T607 Y887	T418-A567 HydrophobicContact CG2-CB 3.71Å; T418-T607 PolarHBondContact N-O 3.03Å; T418-T607 PolarHBondContact O-N 3.05Å; T418-T607 PolarHBondContact O-OG1 2.91Å; T418-T607 PolarHBondContact OG1-O 2.9Å; T418-T607 PolarHBondContact OG1-OG1 3.25Å; T418-Y887 HydrophobicContact CG2-CD2 4.07Å; T418-Y887 HydrophobicContact CG2-CE1 4.47Å; T418-Y887 HydrophobicContact CG2-CE2 3.66Å
419	T	93.8	Very high	89.9	Confident	23 Å²	23	45.7 Å²	45.7	14%	0.141	25%	0.253	C	S	.	.			trans	-128.2	138.5	176.1	-177.3	0	0	0	0	109.9	I421 A440 I441 N605	T419-I421 HydrophobicContact CG2-CB 4.41Å; T419-I421 PolarHBondContact O-N 3.41Å; T419-I421 PolarHBondContact OG1-N 2.92Å; T419-A440 HydrophobicContact CG2-CB 3.97Å; T419-I441 HydrophobicContact CG2-CB 3.97Å; T419-I441 HydrophobicContact CG2-CD1 3.91Å; T419-N605 WeakPolarHBondContact CB-O 3.27Å; T419-N605 PolarHBondContact OG1-O 3.47Å
420	P	91.4	Very high	88.5	Confident	85 Å²	85	49.7 Å²	49.7	55%	0.552	27%	0.269	S	S	*	.	S	Bend	trans	-71.3	-12.7	173.3	30.4	-35	0	0	0	112.4	N422 N605	P420-N422 PolarHBondContact O-N 3.05Å; P420-N605 WeakPolarHBondContact CD-O 3.38Å
421	I	89.6	Confident	86.9	Confident	61 Å²	61	53.6 Å²	53.6	31%	0.313	29%	0.286	S	S	.	.			trans	-73	119.7	177.1	-55.9	172.4	0	0	0	108.1	T419 D423 A440 I446	T419-I421 HydrophobicContact CG2-CB 4.41Å; T419-I421 PolarHBondContact O-N 3.41Å; T419-I421 PolarHBondContact OG1-N 2.92Å; I421-D423 HydrophobicContact CG2-CB 4.12Å; I421-A440 HydrophobicContact CB-CB 4.04Å; I421-A440 HydrophobicContact CG2-CB 3.8Å; I421-A440 VanDerWaalsContact O-CB 3.23Å; I421-A440 WeakPolarHBondContact O-CB 3.4Å; I421-I446 HydrophobicContact CD1-CD1 4.34Å
422	N	84.1	Confident	84.7	Confident	133 Å²	133	56.7 Å²	56.7	71%	0.711	32%	0.324	S	S	*	.			trans	-109	39.5	-177.8	-164.8	11.9	0	0	0	112.5	P420	P420-N422 PolarHBondContact O-N 3.05Å
423	D	87.5	Confident	83	Confident	103 Å²	103	56.3 Å²	56.3	55%	0.551	33%	0.328	S	S	*	.			trans	-87.8	155.2	176.9	-70.1	-17.4	0	0	0	110.7	I421 A440 F443	I421-D423 HydrophobicContact CG2-CB 4.12Å; D423-A440 PolarHBondContact O-N 3.46Å; D423-F443 HydrophobicContact CB-CE2 4.06Å; D423-F443 HydrophobicContact CB-CZ 4.05Å
424	T	88.6	Confident	81.7	Confident	67 Å²	67	60.6 Å²	60.6	41%	0.411	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	122.3	174.9	-55.2	0	0	0	0	107.6	P437 F438 K439	T424-P437 HydrophobicContact CG2-CB 3.78Å; T424-F438 CarbonylContact C-O 3.57Å; T424-F438 WeakPolarHBondContact CA-O 3.31Å; T424-F438 WeakPolarHBondContact CG2-O 3.24Å; T424-K439 PolarHBondContact OG1-NZ 3.38Å
425	Q	88.9	Confident	81	Confident	92 Å²	92	64.5 Å²	64.5	43%	0.43	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	135.3	176.1	-176.5	173.9	-5.8	0	0	108.9	F438 F443	Q425-F438 PolarHBondContact N-O 3.18Å; Q425-F438 PolarHBondContact O-N 3.44Å; Q425-F443 HydrophobicContact CB-CD1 4.3Å; Q425-F443 HydrophobicContact CB-CE1 3.41Å; Q425-F443 VanDerWaalsContact CB-CE1 3.41Å; Q425-F443 HydrophobicContact CB-CZ 3.79Å
426	T	86.9	Confident	80.3	Confident	81 Å²	81	65.7 Å²	65.7	50%	0.497	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	123.7	175.5	-52.9	0	0	0	0	109.4	D435	T426-D435 HydrophobicContact CG2-CB 3.53Å
427	Y	83.1	Confident	79.9	Confident	29 Å²	29	68 Å²	68	11%	0.114	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	121.8	169.1	170.9	-112	0	0	0	109.2	P429 V436 F438 H517 S518 L521	Y427-P429 HydrophobicContact CD1-CG 4.18Å; Y427-P429 HydrophobicContact CE1-CB 4.14Å; Y427-P429 HydrophobicContact CE1-CG 3.75Å; Y427-V436 HydrophobicContact CD1-CB 4.45Å; Y427-V436 PolarHBondContact N-O 3.02Å; Y427-V436 PolarHBondContact O-N 2.76Å; Y427-F438 HydrophobicContact CD1-CE2 4.41Å; Y427-H517 HydrophobicContact CD1-CB 3.9Å; Y427-H517 HydrophobicContact CD2-CB 3.72Å; Y427-H517 AromaticContact CD2-CG 3.75Å; Y427-H517 AromaticContact CD2-ND1 3.76Å; Y427-H517 HydrophobicContact CE1-CB 4.03Å; Y427-H517 HydrophobicContact CE2-CB 3.87Å; Y427-H517 HydrophobicContact CG-CB 3.75Å; Y427-H517 AromaticContact CG-CG 3.93Å; Y427-S518 PolarHBondContact OH-OG 2.92Å; Y427-L521 HydrophobicContact CD1-CD1 4.26Å; Y427-L521 HydrophobicContact CE1-CD1 4.27Å
428	S	77.2	Confident	79.7	Confident	73 Å²	73	68 Å²	68	51%	0.51	40%	0.402	S	S	.	.			trans	-107.3	106.9	177.3	-61.4	0	0	0	0	109.1	Y430 D435	S428-Y430 PolarHBondContact O-N 2.73Å; S428-D435 VanDerWaalsContact CB-OD1 3.26Å; S428-D435 WeakPolarHBondContact CB-OD1 3.44Å; S428-D435 PolarHBondContact OG-OD1 2.6Å
429	P	68.9	Low	79.5	Confident	36 Å²	36	70 Å²	70	23%	0.234	41%	0.41	C	S	.	.			trans	-63.4	135.1	-179.2	-17.4	28.6	0	0	0	111.5	Y427 F431 S434	Y427-P429 HydrophobicContact CD1-CG 4.18Å; Y427-P429 HydrophobicContact CE1-CB 4.14Å; Y427-P429 HydrophobicContact CE1-CG 3.75Å; P429-F431 VanDerWaalsContact C-N 3.33Å; P429-F431 PolarHBondContact O-N 3.31Å; P429-S434 WeakPolarHBondContact CD-O 3.44Å
430	Y	63.7	Low	79.4	Confident	109 Å²	109	69 Å²	69	43%	0.427	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-40.3	179.6	-178.3	-100.9	0	0	0	112.7	S428 G432 Y511 Y513	S428-Y430 PolarHBondContact O-N 2.73Å; Y430-G432 PolarHBondContact O-N 3.13Å; Y430-G432 VanDerWaalsContact O-N 3.07Å; Y430-Y511 HydrophobicContact CD2-CD1 4.16Å; Y430-Y511 HydrophobicContact CD2-CG 4.19Å; Y430-Y511 AromaticContact CE2-CD1 3.99Å; Y430-Y511 HydrophobicContact CE2-CD1 3.99Å; Y430-Y511 HydrophobicContact CE2-CD2 4.27Å; Y430-Y511 AromaticContact CE2-CG 3.77Å; Y430-Y511 HydrophobicContact CE2-CG 3.77Å; Y430-Y513 AromaticContact CD1-CD1 3.75Å; Y430-Y513 HydrophobicContact CD1-CD1 3.75Å; Y430-Y513 HydrophobicContact CD1-CE1 4.32Å; Y430-Y513 HydrophobicContact CD2-CD1 4.35Å; Y430-Y513 AromaticContact CE1-CD1 3.78Å; Y430-Y513 HydrophobicContact CE1-CD1 3.78Å; Y430-Y513 AromaticContact CE1-CE1 3.88Å; Y430-Y513 HydrophobicContact CE1-CE1 3.88Å; Y430-Y513 HydrophobicContact CE2-CD1 4.36Å; Y430-Y513 HydrophobicContact CE2-CE1 4.22Å; Y430-Y513 HydrophobicContact CG-CD1 4.05Å; Y430-Y513 AromaticContact CZ-CE1 3.82Å
431	F	56.8	Low	79.5	Confident	136 Å²	136	65.1 Å²	65.1	60%	0.596	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	76.1	179.3	-68.4	-78.7	0	0	0	112.2	P429 G433 L535	P429-F431 VanDerWaalsContact C-N 3.33Å; P429-F431 PolarHBondContact O-N 3.31Å; F431-G433 PolarHBondContact O-N 2.89Å; F431-L535 HydrophobicContact CE2-CD1 4.02Å; F431-L535 HydrophobicContact CZ-CD1 4.42Å
432	G	48.4	Very low	79.8	Confident	86 Å²	86	62.3 Å²	62.3	89%	0.887	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	29.6	162.4	0	0	0	0	0	116.4	Y430	Y430-G432 PolarHBondContact O-N 3.13Å; Y430-G432 VanDerWaalsContact O-N 3.07Å
433	G	58.5	Low	80.3	Confident	32 Å²	32	57.6 Å²	57.6	33%	0.33	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-94.7	158.1	-179	0	0	0	0	0	112.2	F431	F431-G433 PolarHBondContact O-N 2.89Å
434	S	68.4	Low	80.6	Confident	91 Å²	91	55.5 Å²	55.5	64%	0.636	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-69.5	149.1	168.4	46.5	0	0	0	0	110.9	P429 V436	P429-S434 WeakPolarHBondContact CD-O 3.44Å; S434-V436 PolarHBondContact O-N 3.15Å
435	D	79.4	Confident	80.9	Confident	104 Å²	104	58.2 Å²	58.2	56%	0.556	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-58	128.9	172.5	-74.7	-12.1	0	0	0	111.5	T426 S428	T426-D435 HydrophobicContact CG2-CB 3.53Å; S428-D435 VanDerWaalsContact CB-OD1 3.26Å; S428-D435 WeakPolarHBondContact CB-OD1 3.44Å; S428-D435 PolarHBondContact OG-OD1 2.6Å
436	V	81.9	Confident	81.2	Confident	25 Å²	25	54 Å²	54	15%	0.152	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	121.3	-179.4	-175.1	0	0	0	0	109.9	Y427 S434 F438 L521 N563	Y427-V436 HydrophobicContact CD1-CB 4.45Å; Y427-V436 PolarHBondContact N-O 3.02Å; Y427-V436 PolarHBondContact O-N 2.76Å; S434-V436 PolarHBondContact O-N 3.15Å; V436-F438 HydrophobicContact CB-CE2 4.3Å; V436-F438 HydrophobicContact CG1-CD2 4.22Å; V436-F438 HydrophobicContact CG1-CE2 3.78Å; V436-L521 HydrophobicContact CG1-CD1 4.37Å; V436-L521 HydrophobicContact CG1-CD2 4.33Å; V436-L521 HydrophobicContact CG2-CD1 4.36Å; V436-N563 HydrophobicContact CG1-CB 4.01Å
437	P	89.5	Confident	81.6	Confident	48 Å²	48	50.3 Å²	50.3	31%	0.312	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	138.3	176.3	30.8	-32.8	0	0	0	111.4	T424 N563	T424-P437 HydrophobicContact CG2-CB 3.78Å; P437-N563 WeakPolarHBondContact O-CB 3.47Å; P437-N563 PolarHBondContact O-ND2 3.48Å
438	F	90.8	Very high	82.3	Confident	1 Å²	1	50.6 Å²	50.6	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.5	171.2	-83	-103.4	0	0	0	110	T424 Q425 Y427 V436 L442 H517 F520 L521 N563	T424-F438 CarbonylContact C-O 3.57Å; T424-F438 WeakPolarHBondContact CA-O 3.31Å; T424-F438 WeakPolarHBondContact CG2-O 3.24Å; Q425-F438 PolarHBondContact N-O 3.18Å; Q425-F438 PolarHBondContact O-N 3.44Å; Y427-F438 HydrophobicContact CD1-CE2 4.41Å; V436-F438 HydrophobicContact CB-CE2 4.3Å; V436-F438 HydrophobicContact CG1-CD2 4.22Å; V436-F438 HydrophobicContact CG1-CE2 3.78Å; F438-L442 HydrophobicContact CD1-CB 3.85Å; F438-L442 HydrophobicContact CD1-CD1 3.73Å; F438-L442 HydrophobicContact CD1-CG 4.46Å; F438-L442 HydrophobicContact CE1-CD1 4.12Å; F438-H517 AromaticContact CD1-CD2 3.99Å; F438-H517 AromaticContact CD2-CD2 3.84Å; F438-H517 AromaticContact CE1-CD2 3.98Å; F438-H517 HydrophobicContact CE2-CB 4.27Å; F438-H517 AromaticContact CE2-CD2 3.83Å; F438-H517 AromaticContact CG-CD2 3.92Å; F438-H517 HydrophobicContact CZ-CB 4.11Å; F438-H517 AromaticContact CZ-CD2 3.89Å; F438-F520 AromaticContact CE1-CD1 3.56Å; F438-F520 HydrophobicContact CE1-CD1 3.56Å; F438-F520 AromaticContact CE1-CE1 3.79Å; F438-F520 HydrophobicContact CE1-CE1 3.79Å; F438-F520 HydrophobicContact CE1-CG 4.37Å; F438-F520 AromaticContact CZ-CD1 3.86Å; F438-F520 HydrophobicContact CZ-CD1 3.86Å; F438-F520 HydrophobicContact CZ-CE1 4.28Å; F438-L521 HydrophobicContact CE2-CD1 4.3Å; F438-L521 HydrophobicContact CE2-CD2 4.47Å; F438-L521 HydrophobicContact CE2-CG 4.48Å; F438-L521 HydrophobicContact CZ-CD1 4.24Å; F438-L521 HydrophobicContact CZ-CD2 4.01Å; F438-L521 HydrophobicContact CZ-CG 3.96Å; F438-N563 HydrophobicContact CD2-CB 4.47Å; F438-N563 HydrophobicContact CE1-CB 4.32Å; F438-N563 HydrophobicContact CE2-CB 4.26Å; F438-N563 HydrophobicContact CZ-CB 4.19Å
439	K	91.9	Very high	83.2	Confident	56 Å²	56	49.1 Å²	49.1	24%	0.243	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	155	174.2	-70.8	-66.1	-176.4	-175.9	0	111.6	T424 I441 L442 N563 A565	T424-K439 PolarHBondContact OG1-NZ 3.38Å; K439-I441 PolarHBondContact O-N 3.28Å; K439-L442 PolarHBondContact O-N 3.15Å; K439-N563 PolarHBondContact N-O 3.02Å; K439-A565 VanDerWaalsContact CB-O 3.31Å; K439-A565 WeakPolarHBondContact CB-O 3.41Å
440	A	92.1	Very high	84.6	Confident	2 Å²	2	47.4 Å²	47.4	2%	0.017	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-51.7	-31.5	-177.3	0	0	0	0	0	115.1	T419 I421 D423 L442 F443	T419-A440 HydrophobicContact CG2-CB 3.97Å; I421-A440 HydrophobicContact CB-CB 4.04Å; I421-A440 HydrophobicContact CG2-CB 3.8Å; I421-A440 VanDerWaalsContact O-CB 3.23Å; I421-A440 WeakPolarHBondContact O-CB 3.4Å; D423-A440 PolarHBondContact O-N 3.46Å; A440-L442 PolarHBondContact O-N 3.35Å; A440-F443 HydrophobicContact CB-CD2 4.12Å; A440-F443 HydrophobicContact CB-CE2 3.86Å; A440-F443 HydrophobicContact CB-CZ 4.08Å; A440-F443 VanDerWaalsContact O-CB 3.28Å; A440-F443 WeakPolarHBondContact O-CB 3.44Å; A440-F443 VanDerWaalsContact O-CG 3.3Å; A440-F443 WeakPolarHBondContact O-CG 3.35Å; A440-F443 PolarHBondContact O-N 2.91Å
441	I	94	Very high	86.1	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.01	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-63.6	-24.8	178.8	-163.1	67.1	0	0	0	112.9	I417 T419 K439 I446 A565 L568	I417-I441 HydrophobicContact CG2-CD1 4.38Å; T419-I441 HydrophobicContact CG2-CB 3.97Å; T419-I441 HydrophobicContact CG2-CD1 3.91Å; K439-I441 PolarHBondContact O-N 3.28Å; I441-I446 HydrophobicContact CD1-CG2 4.13Å; I441-I446 WeakPolarHBondContact O-CG2 3.4Å; I441-A565 WeakPolarHBondContact CG2-O 3.4Å; I441-L568 HydrophobicContact CD1-CG 4.46Å; I441-L568 HydrophobicContact CG1-CD1 4.05Å; I441-L568 HydrophobicContact CG1-CD2 4.49Å; I441-L568 HydrophobicContact CG1-CG 3.7Å
442	L	94.7	Very high	88	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.01	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-95.6	8.5	177.3	-62.5	176	0	0	0	112.7	F438 K439 A440 Y516 F520 L554 L568	F438-L442 HydrophobicContact CD1-CB 3.85Å; F438-L442 HydrophobicContact CD1-CD1 3.73Å; F438-L442 HydrophobicContact CD1-CG 4.46Å; F438-L442 HydrophobicContact CE1-CD1 4.12Å; K439-L442 PolarHBondContact O-N 3.15Å; A440-L442 PolarHBondContact O-N 3.35Å; L442-Y516 PolarHBondContact O-OH 3Å; L442-F520 HydrophobicContact CD1-CE1 4.16Å; L442-F520 HydrophobicContact CD1-CZ 3.9Å; L442-F520 HydrophobicContact CD2-CE2 4.18Å; L442-F520 HydrophobicContact CD2-CZ 4.24Å; L442-L554 HydrophobicContact CD2-CD2 4.23Å; L442-L568 HydrophobicContact CD2-CD2 3.87Å
443	F	94.9	Very high	90.3	Very high	35 Å²	35	35.4 Å²	35.4	15%	0.154	20%	0.198	C	C	.	.			trans	-66	139.7	173.4	-69.7	-3.2	0	0	0	110	D423 Q425 A440 D445 I446 L447	D423-F443 HydrophobicContact CB-CE2 4.06Å; D423-F443 HydrophobicContact CB-CZ 4.05Å; Q425-F443 HydrophobicContact CB-CD1 4.3Å; Q425-F443 HydrophobicContact CB-CE1 3.41Å; Q425-F443 VanDerWaalsContact CB-CE1 3.41Å; Q425-F443 HydrophobicContact CB-CZ 3.79Å; A440-F443 HydrophobicContact CB-CD2 4.12Å; A440-F443 HydrophobicContact CB-CE2 3.86Å; A440-F443 HydrophobicContact CB-CZ 4.08Å; A440-F443 VanDerWaalsContact O-CB 3.28Å; A440-F443 WeakPolarHBondContact O-CB 3.44Å; A440-F443 VanDerWaalsContact O-CG 3.3Å; A440-F443 WeakPolarHBondContact O-CG 3.35Å; A440-F443 PolarHBondContact O-N 2.91Å; F443-D445 VanDerWaalsContact C-N 3.29Å; F443-D445 PolarHBondContact O-N 2.94Å; F443-I446 HydrophobicContact CB-CG1 4.24Å; F443-I446 WeakPolarHBondContact O-CA 3.34Å; F443-I446 WeakPolarHBondContact O-CB 3.26Å; F443-I446 PolarHBondContact O-N 3.3Å; F443-L447 PolarHBondContact O-N 3.04Å
444	K	93.9	Very high	92.2	Very high	58 Å²	58	33.9 Å²	33.9	25%	0.252	18%	0.182	S	C	.	.	H	α-helix	trans	-50.4	-48.2	-178.1	-162.9	176	177	-170.2	0	112.5	I446 L447 H448 L502 D503 Y516	K444-I446 VanDerWaalsContact C-N 3.26Å; K444-I446 PolarHBondContact O-N 3.45Å; K444-L447 WeakPolarHBondContact O-CB 3.43Å; K444-L447 PolarHBondContact O-N 2.89Å; K444-L447 VanDerWaalsContact O-N 3.09Å; K444-H448 PolarHBondContact O-CD2 3.3Å; K444-H448 PolarHBondContact O-N 3.28Å; K444-L502 WeakPolarHBondContact CE-O 3.47Å; K444-D503 WeakPolarHBondContact CE-OD1 3.41Å; K444-D503 IonicContact NZ-OD1 3.71Å; K444-D503 PolarHBondContact NZ-OD1 3.41Å; K444-Y516 HydrophobicContact CB-CE1 3.78Å; K444-Y516 HydrophobicContact CD-CD1 4.04Å; K444-Y516 HydrophobicContact CD-CE1 3.94Å; K444-Y516 HydrophobicContact CG-CD1 4.32Å; K444-Y516 HydrophobicContact CG-CE1 4.08Å; K444-Y516 PolarHBondContact N-OH 3.44Å
445	D	94.1	Very high	93.5	Very high	124 Å²	124	31.8 Å²	31.8	66%	0.663	16%	0.164	S	C	*	.	H	α-helix	trans	-60.3	-33.6	179.3	-62.4	-28.1	0	0	0	113.4	F443 Q449	F443-D445 VanDerWaalsContact C-N 3.29Å; F443-D445 PolarHBondContact O-N 2.94Å; D445-Q449 WeakPolarHBondContact O-CG 3.46Å; D445-Q449 PolarHBondContact O-N 3.33Å; D445-Q449 PolarHBondContact O-NE2 2.82Å
446	I	95.4	Very high	94.2	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.026	16%	0.159	C	C	.	.	H	α-helix	trans	-74	-43	175.9	-63.2	-64.1	0	0	0	109.8	I421 I441 F443 K444 H448 Q449 V450 N605 L606	I421-I446 HydrophobicContact CD1-CD1 4.34Å; I441-I446 HydrophobicContact CD1-CG2 4.13Å; I441-I446 WeakPolarHBondContact O-CG2 3.4Å; F443-I446 HydrophobicContact CB-CG1 4.24Å; F443-I446 WeakPolarHBondContact O-CA 3.34Å; F443-I446 WeakPolarHBondContact O-CB 3.26Å; F443-I446 PolarHBondContact O-N 3.3Å; K444-I446 VanDerWaalsContact C-N 3.26Å; K444-I446 PolarHBondContact O-N 3.45Å; I446-H448 VanDerWaalsContact C-N 3.3Å; I446-H448 PolarHBondContact O-N 3.32Å; I446-Q449 PolarHBondContact O-N 2.98Å; I446-Q449 VanDerWaalsContact O-N 3.14Å; I446-V450 HydrophobicContact CG2-CG2 4.33Å; I446-V450 VanDerWaalsContact O-CG2 3.32Å; I446-V450 WeakPolarHBondContact O-CG2 3.28Å; I446-V450 PolarHBondContact O-N 2.74Å; I446-N605 HydrophobicContact CD1-CB 3.95Å; I446-L606 HydrophobicContact CG2-CD2 3.83Å
447	L	96.3	Very high	94.9	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-60.5	-37.4	175.5	-65.9	176.7	0	0	0	112.4	F443 K444 V450 L451 V491 L492 L502 Y516 L568	F443-L447 PolarHBondContact O-N 3.04Å; K444-L447 WeakPolarHBondContact O-CB 3.43Å; K444-L447 PolarHBondContact O-N 2.89Å; K444-L447 VanDerWaalsContact O-N 3.09Å; L447-V450 PolarHBondContact O-N 3.28Å; L447-L451 VanDerWaalsContact O-CB 3.31Å; L447-L451 WeakPolarHBondContact O-CB 3.5Å; L447-L451 PolarHBondContact O-N 3.46Å; L447-V491 HydrophobicContact CD2-CG1 4.13Å; L447-L492 HydrophobicContact CB-CD2 4.22Å; L447-L492 HydrophobicContact CD2-CD2 4.32Å; L447-L502 HydrophobicContact CB-CD2 3.94Å; L447-L502 HydrophobicContact CD1-CD1 4.17Å; L447-Y516 HydrophobicContact CD1-CD2 4.28Å; L447-Y516 HydrophobicContact CD1-CE2 4.08Å; L447-L568 HydrophobicContact CD2-CD1 3.86Å
448	H	97.4	Very high	95.2	Very high	35 Å²	35	30.5 Å²	30.5	16%	0.162	15%	0.148	C	C	.	.	H	α-helix	trans	-61.3	-47.4	171.7	-81.8	-88.2	0	0	0	111.9	K444 I446 V450 L451 D452 H499 D503	K444-H448 PolarHBondContact O-CD2 3.3Å; K444-H448 PolarHBondContact O-N 3.28Å; I446-H448 VanDerWaalsContact C-N 3.3Å; I446-H448 PolarHBondContact O-N 3.32Å; H448-V450 VanDerWaalsContact C-N 3.31Å; H448-V450 PolarHBondContact O-N 3.01Å; H448-L451 WeakPolarHBondContact O-CB 3.22Å; H448-L451 PolarHBondContact O-N 3.15Å; H448-L451 VanDerWaalsContact O-N 3.14Å; H448-D452 VanDerWaalsContact O-CG 3.3Å; H448-D452 PolarHBondContact O-N 3.45Å; H448-H499 AromaticContact CE1-ND1 3.61Å; H448-H499 AromaticContact CG-ND1 3.9Å; H448-H499 AromaticContact ND1-CE1 3.77Å; H448-H499 AromaticContact ND1-CG 3.85Å; H448-H499 AromaticContact ND1-ND1 2.89Å; H448-H499 PolarHBondContact ND1-ND1 3.42Å; H448-D503 IonicContact CE1-OD1 3.41Å; H448-D503 IonicContact CE1-OD2 2.69Å; H448-D503 PolarHBondContact CE1-OD2 3.45Å; H448-D503 VanDerWaalsContact CE1-OD2 3.3Å; H448-D503 IonicContact NE2-OD1 3.48Å; H448-D503 PolarHBondContact NE2-OD1 2.93Å; H448-D503 IonicContact NE2-OD2 3.3Å
449	Q	96.4	Very high	95.4	Very high	42 Å²	42	36.4 Å²	36.4	20%	0.196	18%	0.18	C	C	.	.	H	α-helix	trans	-63.3	-36.9	178.4	-71.9	167.7	72.4	0	0	112.6	D445 I446 L453 N603 N605 L606	D445-Q449 WeakPolarHBondContact O-CG 3.46Å; D445-Q449 PolarHBondContact O-N 3.33Å; D445-Q449 PolarHBondContact O-NE2 2.82Å; I446-Q449 PolarHBondContact O-N 2.98Å; I446-Q449 VanDerWaalsContact O-N 3.14Å; Q449-L453 PolarHBondContact O-N 3.24Å; Q449-L453 VanDerWaalsContact O-N 3.11Å; Q449-N603 PolarHBondContact OE1-ND2 3.4Å; Q449-N603 PolarHBondContact OE1-OD1 3.5Å; Q449-N605 PolarHBondContact OE1-ND2 3.14Å; Q449-N605 VanDerWaalsContact OE1-ND2 3.08Å; Q449-L606 HydrophobicContact CB-CD1 4.29Å
450	V	96.9	Very high	95.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-70.4	-35.4	175.5	176.3	0	0	0	0	110.8	I417 I446 L447 H448 L453 Q454 L492 L568 I570 L606	I417-V450 HydrophobicContact CD1-CG1 3.72Å; I417-V450 HydrophobicContact CD1-CG2 4.27Å; I417-V450 HydrophobicContact CG2-CG2 4.2Å; I446-V450 HydrophobicContact CG2-CG2 4.33Å; I446-V450 VanDerWaalsContact O-CG2 3.32Å; I446-V450 WeakPolarHBondContact O-CG2 3.28Å; I446-V450 PolarHBondContact O-N 2.74Å; L447-V450 PolarHBondContact O-N 3.28Å; H448-V450 VanDerWaalsContact C-N 3.31Å; H448-V450 PolarHBondContact O-N 3.01Å; V450-L453 PolarHBondContact O-N 3.42Å; V450-Q454 WeakPolarHBondContact O-CB 3.22Å; V450-Q454 PolarHBondContact O-N 3.11Å; V450-L492 HydrophobicContact CB-CD1 4.39Å; V450-L492 HydrophobicContact CG1-CD1 3.9Å; V450-L568 HydrophobicContact CG1-CD1 4.37Å; V450-L568 HydrophobicContact CG2-CD1 4.31Å; V450-I570 HydrophobicContact CG1-CD1 3.68Å; V450-L606 HydrophobicContact CG2-CD1 4.04Å; V450-L606 HydrophobicContact CG2-CD2 4.09Å
451	L	97.1	Very high	95.7	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-67.3	-41.8	174.6	-178.9	56	0	0	0	111.8	L447 H448 L453 Q454 L455 L492 N497	L447-L451 VanDerWaalsContact O-CB 3.31Å; L447-L451 WeakPolarHBondContact O-CB 3.5Å; L447-L451 PolarHBondContact O-N 3.46Å; H448-L451 WeakPolarHBondContact O-CB 3.22Å; H448-L451 PolarHBondContact O-N 3.15Å; H448-L451 VanDerWaalsContact O-N 3.14Å; L451-L453 VanDerWaalsContact C-N 3.33Å; L451-L453 PolarHBondContact O-N 3.13Å; L451-Q454 PolarHBondContact O-N 2.98Å; L451-L455 HydrophobicContact CD1-CD1 4.13Å; L451-L455 HydrophobicContact CD1-CG 4.04Å; L451-L455 HydrophobicContact CG-CD1 4.08Å; L451-L455 HydrophobicContact CG-CG 4.43Å; L451-L455 WeakPolarHBondContact O-CB 3.49Å; L451-L455 VanDerWaalsContact O-CG 3.31Å; L451-L455 WeakPolarHBondContact O-CG 3.31Å; L451-L455 PolarHBondContact O-N 2.87Å; L451-L492 VanDerWaalsContact CA-CD1 3.41Å; L451-L492 HydrophobicContact CB-CD1 3.66Å; L451-L492 HydrophobicContact CB-CD2 4.16Å; L451-L492 HydrophobicContact CB-CG 4.49Å; L451-L492 HydrophobicContact CD1-CB 4.36Å; L451-L492 HydrophobicContact CD1-CD1 3.95Å; L451-L492 HydrophobicContact CG-CD1 4.38Å; L451-N497 HydrophobicContact CD1-CB 4.1Å
452	D	96.8	Very high	95.7	Very high	74 Å²	74	38.6 Å²	38.6	40%	0.396	20%	0.197	S	C	.	.	H	α-helix	trans	-57.3	-48.1	172.9	-66.7	-31.7	0	0	0	110.7	H448 Q454 L455 E456 H499	H448-D452 VanDerWaalsContact O-CG 3.3Å; H448-D452 PolarHBondContact O-N 3.45Å; D452-Q454 PolarHBondContact O-N 3.36Å; D452-L455 PolarHBondContact O-N 2.86Å; D452-E456 WeakPolarHBondContact O-CG 3.1Å; D452-E456 PolarHBondContact O-N 3.5Å; D452-H499 IonicContact OD1-CE1 2.83Å; D452-H499 PolarHBondContact OD1-CE1 2.66Å; D452-H499 IonicContact OD1-NE2 2.94Å; D452-H499 PolarHBondContact OD1-NE2 3.32Å
453	L	96.6	Very high	95.7	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-58.5	-45	175.8	173.3	61.9	0	0	0	111.9	L415 I417 Q449 V450 L451 E456 I457 F597 M598 F601 V608	L415-L453 HydrophobicContact CD2-CD2 4.35Å; I417-L453 HydrophobicContact CD1-CD2 4.17Å; Q449-L453 PolarHBondContact O-N 3.24Å; Q449-L453 VanDerWaalsContact O-N 3.11Å; V450-L453 PolarHBondContact O-N 3.42Å; L451-L453 VanDerWaalsContact C-N 3.33Å; L451-L453 PolarHBondContact O-N 3.13Å; L453-E456 PolarHBondContact O-N 3.41Å; L453-I457 HydrophobicContact CD1-CD1 3.92Å; L453-I457 HydrophobicContact CD1-CG1 4.32Å; L453-I457 HydrophobicContact CG-CD1 3.99Å; L453-I457 WeakPolarHBondContact O-CD1 3.27Å; L453-I457 VanDerWaalsContact O-CG1 3.29Å; L453-I457 WeakPolarHBondContact O-CG1 3.48Å; L453-I457 PolarHBondContact O-N 3.46Å; L453-F597 HydrophobicContact CD1-CE1 3.72Å; L453-F597 HydrophobicContact CD1-CZ 4.15Å; L453-M598 HydrophobicContact CD1-CE 4.49Å; L453-M598 HydrophobicContact CD1-SD 4.19Å; L453-F601 HydrophobicContact CB-CE2 4.48Å; L453-F601 HydrophobicContact CB-CZ 4.27Å; L453-F601 HydrophobicContact CD1-CD1 4.28Å; L453-F601 HydrophobicContact CD1-CD2 3.81Å; L453-F601 HydrophobicContact CD1-CE1 4.16Å; L453-F601 HydrophobicContact CD1-CE2 3.69Å; L453-F601 HydrophobicContact CD1-CG 4.11Å; L453-F601 HydrophobicContact CD1-CZ 3.87Å; L453-F601 HydrophobicContact CD2-CE1 4Å; L453-F601 HydrophobicContact CD2-CZ 4.09Å; L453-F601 HydrophobicContact CG-CZ 4.29Å; L453-V608 HydrophobicContact CD2-CG2 4.48Å
454	Q	96.8	Very high	95.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-45.7	178.9	-168.1	-172.9	-68	0	0	111.3	V450 L451 D452 E456 I457 E458 I488 S490 N497 I570 F572	V450-Q454 WeakPolarHBondContact O-CB 3.22Å; V450-Q454 PolarHBondContact O-N 3.11Å; L451-Q454 PolarHBondContact O-N 2.98Å; D452-Q454 PolarHBondContact O-N 3.36Å; Q454-E456 VanDerWaalsContact C-N 3.34Å; Q454-E456 PolarHBondContact O-N 2.97Å; Q454-I457 PolarHBondContact O-N 3Å; Q454-E458 PolarHBondContact NE2-OE1 3.38Å; Q454-E458 WeakPolarHBondContact O-CG 3.48Å; Q454-E458 PolarHBondContact O-N 3.43Å; Q454-I488 HydrophobicContact CG-CG2 4.49Å; Q454-S490 VanDerWaalsContact OE1-CB 3.22Å; Q454-S490 PolarHBondContact OE1-OG 3.42Å; Q454-N497 PolarHBondContact NE2-ND2 2.94Å; Q454-N497 VanDerWaalsContact NE2-ND2 3.16Å; Q454-N497 PolarHBondContact NE2-OD1 3.24Å; Q454-I570 HydrophobicContact CB-CD1 4.5Å; Q454-F572 HydrophobicContact CG-CE1 4.31Å; Q454-F572 HydrophobicContact CG-CZ 4Å
455	L	96	Very high	95.2	Very high	48 Å²	48	49.7 Å²	49.7	25%	0.251	26%	0.255	S	S	.	.	H	α-helix	trans	-66.8	-34.3	179	-68.4	174	0	0	0	112.2	L451 D452 E458 N459	L451-L455 HydrophobicContact CD1-CD1 4.13Å; L451-L455 HydrophobicContact CD1-CG 4.04Å; L451-L455 HydrophobicContact CG-CD1 4.08Å; L451-L455 HydrophobicContact CG-CG 4.43Å; L451-L455 WeakPolarHBondContact O-CB 3.49Å; L451-L455 VanDerWaalsContact O-CG 3.31Å; L451-L455 WeakPolarHBondContact O-CG 3.31Å; L451-L455 PolarHBondContact O-N 2.87Å; D452-L455 PolarHBondContact O-N 2.86Å; L455-E458 PolarHBondContact O-N 2.92Å; L455-N459 WeakPolarHBondContact O-CB 3.33Å; L455-N459 PolarHBondContact O-N 2.87Å; L455-N459 VanDerWaalsContact O-N 3.17Å; L455-N459 PolarHBondContact O-ND2 2.94Å
456	E	95.6	Very high	94.9	Very high	99 Å²	99	46.8 Å²	46.8	46%	0.463	25%	0.254	S	S	.	.	H	α-helix	trans	-64	-42.8	171.9	-75.7	-177.6	-178.1	0	0	111.5	D452 L453 Q454 N459 L460 F597	D452-E456 WeakPolarHBondContact O-CG 3.1Å; D452-E456 PolarHBondContact O-N 3.5Å; L453-E456 PolarHBondContact O-N 3.41Å; Q454-E456 VanDerWaalsContact C-N 3.34Å; Q454-E456 PolarHBondContact O-N 2.97Å; E456-N459 PolarHBondContact O-N 3.24Å; E456-L460 PolarHBondContact O-N 3.13Å; E456-F597 HydrophobicContact CB-CE2 4.41Å; E456-F597 HydrophobicContact CB-CZ 3.86Å; E456-F597 WeakPolarHBondContact OE2-CZ 3.31Å
457	I	96	Very high	94.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.8	-43.8	175.7	-66.9	162.1	0	0	0	111.2	L415 L453 Q454 N459 L460 F572 W590 F594 F597 M598	L415-I457 HydrophobicContact CD2-CD1 3.79Å; L453-I457 HydrophobicContact CD1-CD1 3.92Å; L453-I457 HydrophobicContact CD1-CG1 4.32Å; L453-I457 HydrophobicContact CG-CD1 3.99Å; L453-I457 WeakPolarHBondContact O-CD1 3.27Å; L453-I457 VanDerWaalsContact O-CG1 3.29Å; L453-I457 WeakPolarHBondContact O-CG1 3.48Å; L453-I457 PolarHBondContact O-N 3.46Å; Q454-I457 PolarHBondContact O-N 3Å; I457-N459 PolarHBondContact O-N 2.94Å; I457-L460 HydrophobicContact CB-CD1 4.46Å; I457-L460 HydrophobicContact CG2-CD1 4.28Å; I457-L460 WeakPolarHBondContact O-CB 3.3Å; I457-L460 WeakPolarHBondContact O-CG 3.28Å; I457-L460 PolarHBondContact O-N 3.37Å; I457-L460 VanDerWaalsContact O-N 3.14Å; I457-F572 HydrophobicContact CB-CZ 4.16Å; I457-F572 HydrophobicContact CD1-CE2 4.27Å; I457-F572 HydrophobicContact CD1-CZ 4.34Å; I457-F572 HydrophobicContact CG2-CE1 4.13Å; I457-F572 HydrophobicContact CG2-CE2 3.91Å; I457-F572 HydrophobicContact CG2-CZ 3.68Å; I457-W590 HydrophobicContact CG2-CH2 4.12Å; I457-W590 HydrophobicContact CG2-CZ2 4.18Å; I457-F594 HydrophobicContact CD1-CE2 4.07Å; I457-F594 HydrophobicContact CG1-CD2 4.47Å; I457-F594 HydrophobicContact CG1-CE2 4.32Å; I457-F594 HydrophobicContact CG2-CD2 3.95Å; I457-F594 HydrophobicContact CG2-CE2 4.13Å; I457-F597 HydrophobicContact CD1-CE1 4.47Å; I457-F597 HydrophobicContact CG1-CD1 4.11Å; I457-F597 HydrophobicContact CG1-CE1 3.71Å; I457-M598 HydrophobicContact CD1-SD 3.98Å; I457-M598 HydrophobicContact CG1-SD 4.44Å
458	E	95	Very high	94.7	Very high	50 Å²	50	58.7 Å²	58.7	23%	0.234	31%	0.311	C	S	.	.	H	α-helix	trans	-60	-32.1	177.7	-74.5	179.8	-146.7	0	0	112.6	Q454 L455 L471 I488 N497 F572	Q454-E458 PolarHBondContact NE2-OE1 3.38Å; Q454-E458 WeakPolarHBondContact O-CG 3.48Å; Q454-E458 PolarHBondContact O-N 3.43Å; L455-E458 PolarHBondContact O-N 2.92Å; E458-L471 HydrophobicContact CB-CD2 4.43Å; E458-L471 HydrophobicContact CG-CD2 4.12Å; E458-I488 HydrophobicContact CG-CD1 3.69Å; E458-I488 WeakPolarHBondContact OE1-CD1 3.32Å; E458-N497 PolarHBondContact OE1-ND2 3.44Å; E458-F572 HydrophobicContact CG-CE1 4.37Å
459	N	95.3	Very high	94.5	Very high	126 Å²	126	57.1 Å²	57.1	67%	0.674	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	4.8	179.8	-71.8	-53.4	0	0	0	114.1	L455 E456 I457 V461	L455-N459 WeakPolarHBondContact O-CB 3.33Å; L455-N459 PolarHBondContact O-N 2.87Å; L455-N459 VanDerWaalsContact O-N 3.17Å; L455-N459 PolarHBondContact O-ND2 2.94Å; E456-N459 PolarHBondContact O-N 3.24Å; I457-N459 PolarHBondContact O-N 2.94Å; N459-V461 PolarHBondContact O-N 3.42Å
460	L	95.3	Very high	94.5	Very high	28 Å²	28	57.3 Å²	57.3	15%	0.147	31%	0.308	C	S	.	.			trans	-62.6	134.5	176.7	-72.9	174	0	0	0	111.5	E456 I457 W590 F594 F597	E456-L460 PolarHBondContact O-N 3.13Å; I457-L460 HydrophobicContact CB-CD1 4.46Å; I457-L460 HydrophobicContact CG2-CD1 4.28Å; I457-L460 WeakPolarHBondContact O-CB 3.3Å; I457-L460 WeakPolarHBondContact O-CG 3.28Å; I457-L460 PolarHBondContact O-N 3.37Å; I457-L460 VanDerWaalsContact O-N 3.14Å; L460-W590 HydrophobicContact CD1-CZ2 4.49Å; L460-W590 PolarHBondContact O-NE1 2.94Å; L460-F594 HydrophobicContact CD1-CB 4.26Å; L460-F594 HydrophobicContact CD1-CD2 4.38Å; L460-F597 HydrophobicContact CD1-CB 4.25Å; L460-F597 HydrophobicContact CD1-CD1 4.34Å; L460-F597 HydrophobicContact CD1-CG 4.29Å; L460-F597 HydrophobicContact CD2-CB 4.17Å; L460-F597 HydrophobicContact CD2-CD2 4.02Å; L460-F597 HydrophobicContact CD2-CG 4.05Å
461	V	95.4	Very high	94.3	Very high	75 Å²	75	57.5 Å²	57.5	46%	0.455	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.1	176.2	-175	0	0	0	0	108.6	N459 N468 T470	N459-V461 PolarHBondContact O-N 3.42Å; V461-N468 HydrophobicContact CG1-CB 3.63Å; V461-T470 HydrophobicContact CG2-CG2 4.38Å
462	A	94.4	Very high	94.1	Very high	2 Å²	2	64 Å²	64	2%	0.017	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	147.4	172.1	0	0	0	0	0	110.5	N468 V469 W590 E593	A462-N468 CarbonylContact O-C 3.55Å; A462-N468 WeakPolarHBondContact O-CA 3.35Å; A462-V469 PolarHBondContact N-O 3.32Å; A462-V469 PolarHBondContact O-N 2.9Å; A462-W590 HydrophobicContact CB-CB 4.21Å; A462-E593 HydrophobicContact CB-CB 4.3Å; A462-E593 HydrophobicContact CB-CG 4.07Å
463	E	93.3	Very high	93.9	Very high	145 Å²	145	65 Å²	65	68%	0.678	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	125.8	175.2	-169.2	-178.9	169.5	0	0	109.8	K467	E463-K467 WeakPolarHBondContact CA-O 3.44Å
464	H	91.1	Very high	93.8	Very high	46 Å²	46	64.9 Å²	64.9	21%	0.213	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	124.8	173.9	-170.3	69.9	0	0	0	110.1	G466 K467 V469 Q586 A589	H464-G466 PolarHBondContact O-N 2.86Å; H464-K467 PolarHBondContact N-O 2.94Å; H464-K467 PolarHBondContact O-N 2.91Å; H464-V469 HydrophobicContact CB-CG2 4.14Å; H464-Q586 HydrophobicContact CB-CG 4.41Å; H464-A589 HydrophobicContact CB-CB 4.02Å
465	D	89.1	Confident	93.6	Very high	138 Å²	138	65.2 Å²	65.2	74%	0.738	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	39.4	-177.4	-68.6	-16.9	0	0	0	114.4	K467	D465-K467 VanDerWaalsContact C-N 3.25Å; D465-K467 PolarHBondContact O-N 3.38Å
466	G	87.3	Confident	93.4	Very high	63 Å²	63	65.4 Å²	65.4	65%	0.649	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	13	-179.7	0	0	0	0	0	114.8	H464	H464-G466 PolarHBondContact O-N 2.86Å
467	K	91.5	Very high	93.3	Very high	140 Å²	140	62 Å²	62	61%	0.609	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	142.4	171.9	-65.4	-179.2	-178.4	175.5	0	110.6	E463 H464 D465	E463-K467 WeakPolarHBondContact CA-O 3.44Å; H464-K467 PolarHBondContact N-O 2.94Å; H464-K467 PolarHBondContact O-N 2.91Å; D465-K467 VanDerWaalsContact C-N 3.25Å; D465-K467 PolarHBondContact O-N 3.38Å
468	N	94.9	Very high	92.8	Very high	117 Å²	117	63.6 Å²	63.6	63%	0.626	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	125.6	169.8	-71	0.4	0	0	0	109.2	V461 A462	V461-N468 HydrophobicContact CG1-CB 3.63Å; A462-N468 CarbonylContact O-C 3.55Å; A462-N468 WeakPolarHBondContact O-CA 3.35Å
469	V	94.7	Very high	92.4	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.012	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.2	177.2	-178.6	0	0	0	0	107.8	A462 H464 I474 Q586	A462-V469 PolarHBondContact N-O 3.32Å; A462-V469 PolarHBondContact O-N 2.9Å; H464-V469 HydrophobicContact CB-CG2 4.14Å; V469-I474 HydrophobicContact CG1-CG2 3.87Å; V469-Q586 HydrophobicContact CG1-CB 4Å; V469-Q586 HydrophobicContact CG2-CB 3.89Å; V469-Q586 HydrophobicContact CG2-CG 3.74Å
470	T	94.8	Very high	91.8	Very high	46 Å²	46	57.6 Å²	57.6	28%	0.282	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	165	175.9	67.3	0	0	0	0	110.6	V461 K472 D473	V461-T470 HydrophobicContact CG2-CG2 4.38Å; T470-K472 PolarHBondContact O-N 3.49Å; T470-D473 PolarHBondContact N-OD2 3.15Å; T470-D473 WeakPolarHBondContact O-CB 3.26Å; T470-D473 PolarHBondContact O-N 2.92Å; T470-D473 VanDerWaalsContact O-N 3.09Å; T470-D473 PolarHBondContact OG1-OD2 3.28Å
471	L	94.1	Very high	91.3	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-55.5	-39.1	176.4	178.3	59.8	0	0	0	112	E458 D473 I474 C475 F572 L574 W590	E458-L471 HydrophobicContact CB-CD2 4.43Å; E458-L471 HydrophobicContact CG-CD2 4.12Å; L471-D473 PolarHBondContact O-N 3.4Å; L471-I474 WeakPolarHBondContact O-CG1 3.26Å; L471-I474 PolarHBondContact O-N 2.88Å; L471-I474 VanDerWaalsContact O-N 3.16Å; L471-C475 HydrophobicContact CD1-CB 3.96Å; L471-C475 HydrophobicContact CG-CB 4.22Å; L471-C475 WeakPolarHBondContact O-CB 3.19Å; L471-C475 PolarHBondContact O-N 3Å; L471-C475 PolarHBondContact O-SG 3.28Å; L471-C475 VanDerWaalsContact O-SG 3.41Å; L471-F572 HydrophobicContact CD2-CD1 4.07Å; L471-F572 HydrophobicContact CD2-CE1 4.38Å; L471-L574 HydrophobicContact CD1-CD2 3.49Å; L471-L574 VanDerWaalsContact CD1-CD2 3.49Å; L471-W590 HydrophobicContact CB-CZ2 4.02Å; L471-W590 HydrophobicContact CD1-CH2 3.85Å; L471-W590 HydrophobicContact CD1-CZ2 3.74Å; L471-W590 HydrophobicContact CD1-CZ3 4.33Å; L471-W590 HydrophobicContact CD2-CZ2 4.35Å; L471-W590 HydrophobicContact CG-CZ2 4.24Å
472	K	92.5	Very high	90.8	Very high	138 Å²	138	67 Å²	67	60%	0.6	36%	0.361	S	S	*	.	H	α-helix	trans	-62.7	-22.9	179.9	-67.9	-170.9	179.8	-173.4	0	114.2	T470	T470-K472 PolarHBondContact O-N 3.49Å
473	D	92.1	Very high	90.4	Very high	95 Å²	95	68.6 Å²	68.6	51%	0.508	37%	0.369	S	S	.	.	H	α-helix	trans	-79.2	-22.5	179.9	-58.6	-51	0	0	0	112.6	T470 L471	T470-D473 PolarHBondContact N-OD2 3.15Å; T470-D473 WeakPolarHBondContact O-CB 3.26Å; T470-D473 PolarHBondContact O-N 2.92Å; T470-D473 VanDerWaalsContact O-N 3.09Å; T470-D473 PolarHBondContact OG1-OD2 3.28Å; L471-D473 PolarHBondContact O-N 3.4Å
474	I	93.9	Very high	90.2	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-122.9	-18.5	-169.7	59.6	169.3	0	0	0	114.2	V469 L471 L574 N575 Q586 A587 W590	V469-I474 HydrophobicContact CG1-CG2 3.87Å; L471-I474 WeakPolarHBondContact O-CG1 3.26Å; L471-I474 PolarHBondContact O-N 2.88Å; L471-I474 VanDerWaalsContact O-N 3.16Å; I474-L574 HydrophobicContact CD1-CD1 4.25Å; I474-L574 HydrophobicContact CD1-CD2 4.14Å; I474-L574 HydrophobicContact CG1-CD2 4.22Å; I474-N575 WeakPolarHBondContact O-CB 3.2Å; I474-N575 PolarHBondContact O-N 2.91Å; I474-N575 PolarHBondContact O-ND2 2.99Å; I474-Q586 HydrophobicContact CG2-CB 4.33Å; I474-A587 HydrophobicContact CD1-CB 4.48Å; I474-W590 HydrophobicContact CD1-CB 3.48Å; I474-W590 VanDerWaalsContact CD1-CB 3.48Å; I474-W590 HydrophobicContact CD1-CD2 3.81Å; I474-W590 HydrophobicContact CD1-CE3 4.04Å; I474-W590 HydrophobicContact CD1-CG 3.56Å
475	C	93.8	Very high	90.2	Very high	7 Å²	7	67.1 Å²	67.1	5%	0.047	37%	0.368	C	S	.	.	B	Isolated β-bridge	trans	-70	157.3	-176.1	70.1	0	0	0	0	113.2	L471 C486 L574 N575	L471-C475 HydrophobicContact CD1-CB 3.96Å; L471-C475 HydrophobicContact CG-CB 4.22Å; L471-C475 WeakPolarHBondContact O-CB 3.19Å; L471-C475 PolarHBondContact O-N 3Å; L471-C475 PolarHBondContact O-SG 3.28Å; L471-C475 VanDerWaalsContact O-SG 3.41Å; C475-C486 HydrophobicContact CB-CB 3.5Å; C475-C486 WeakPolarHBondContact CB-SG 3.33Å; C475-C486 WeakPolarHBondContact SG-CA 3.4Å; C475-C486 WeakPolarHBondContact SG-CB 3.45Å; C475-C486 CovalentContact SG-SG 2.02Å; C475-C486 PolarHBondContact SG-SG 2.99Å; C475-L574 HydrophobicContact CB-CD2 4.47Å; C475-N575 PolarHBondContact O-ND2 2.84Å
476	L	91.9	Very high	90.4	Very high	53 Å²	53	61 Å²	61	28%	0.277	34%	0.336	S	S	.	.			trans	-73.3	126	170.2	-179	65.7	0	0	0	110.1	F410 T487 P573 N575	F410-L476 HydrophobicContact CD1-CD2 4.43Å; L476-T487 PolarHBondContact O-N 3.39Å; L476-T487 PolarHBondContact O-OG1 3.34Å; L476-P573 HydrophobicContact CB-CB 4.27Å; L476-P573 HydrophobicContact CD2-CB 4.37Å; L476-P573 PolarHBondContact N-O 3.28Å; L476-P573 VanDerWaalsContact N-O 3.07Å; L476-N575 WeakPolarHBondContact CA-OD1 3.48Å; L476-N575 VanDerWaalsContact CD1-OD1 3.29Å; L476-N575 WeakPolarHBondContact CD1-OD1 3.44Å
477	A	92.1	Very high	90.7	Very high	26 Å²	26	58.6 Å²	58.6	22%	0.215	31%	0.309	C	S	.	.			trans	-129.6	93.5	178.1	0	0	0	0	0	110	L479 A480	A477-L479 VanDerWaalsContact C-N 3.28Å; A477-L479 PolarHBondContact O-N 2.68Å; A477-A480 HydrophobicContact CB-CB 4.13Å; A477-A480 WeakPolarHBondContact O-CB 3.36Å; A477-A480 PolarHBondContact O-N 3.48Å
478	P	86.2	Confident	90.9	Very high	35 Å²	35	52.1 Å²	52.1	23%	0.227	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-22	-168.1	25.8	-34.8	0	0	0	114.1	T487 F544	P478-T487 WeakPolarHBondContact CD-OG1 3.32Å; P478-F544 HydrophobicContact CG-CD2 4.01Å
479	L	86.1	Confident	90.9	Very high	8 Å²	8	48 Å²	48	4%	0.042	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	10.2	-179.8	-68.7	-174.9	0	0	0	113.3	A477 Y482 N483 F544 N1011 H1021 A1022	A477-L479 VanDerWaalsContact C-N 3.28Å; A477-L479 PolarHBondContact O-N 2.68Å; L479-Y482 WeakPolarHBondContact O-CA 3.44Å; L479-Y482 WeakPolarHBondContact O-CB 3.25Å; L479-Y482 PolarHBondContact O-N 3.48Å; L479-N483 CarbonylContact C-O 3.58Å; L479-N483 HydrophobicContact CB-CB 3.95Å; L479-N483 PolarHBondContact O-N 3.04Å; L479-F544 VanDerWaalsContact CD1-O 3.3Å; L479-F544 WeakPolarHBondContact CD1-O 3.48Å; L479-N1011 WeakPolarHBondContact CD2-OD1 3.38Å; L479-H1021 HydrophobicContact CD2-CB 4.44Å; L479-A1022 HydrophobicContact CD2-CB 3.77Å; L479-A1022 HydrophobicContact CG-CB 4.33Å
480	A	84.4	Confident	90.9	Very high	42 Å²	42	48 Å²	48	35%	0.347	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	140.6	178.5	0	0	0	0	0	110.9	A477 N483	A477-A480 HydrophobicContact CB-CB 4.13Å; A477-A480 WeakPolarHBondContact O-CB 3.36Å; A477-A480 PolarHBondContact O-N 3.48Å; A480-N483 PolarHBondContact N-O 3.44Å
481	P	84.1	Confident	90.9	Very high	118 Å²	118	45.9 Å²	45.9	77%	0.766	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	cis	-90.2	4.4	5.3	36.4	-36.7	0	0	0	115	N484	P481-N484 WeakPolarHBondContact CA-OD1 3.26Å
482	Y	84.4	Confident	91	Very high	182 Å²	182	45.8 Å²	45.8	71%	0.714	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-45.4	-178.9	176.3	-94.8	0	0	0	111.6	L479	L479-Y482 WeakPolarHBondContact O-CA 3.44Å; L479-Y482 WeakPolarHBondContact O-CB 3.25Å; L479-Y482 PolarHBondContact O-N 3.48Å
483	N	86.4	Confident	91.1	Very high	35 Å²	35	39.2 Å²	39.2	19%	0.187	22%	0.216	C	C	.	.			trans	-129.5	120.2	172.1	-177.5	6.2	0	0	0	109.2	L479 A480 N485 T543 F544	L479-N483 CarbonylContact C-O 3.58Å; L479-N483 HydrophobicContact CB-CB 3.95Å; L479-N483 PolarHBondContact O-N 3.04Å; A480-N483 PolarHBondContact N-O 3.44Å; N483-N485 VanDerWaalsContact OD1-CB 3.31Å; N483-N485 WeakPolarHBondContact OD1-CB 3.43Å; N483-N485 VanDerWaalsContact OD1-CG 3.3Å; N483-N485 PolarHBondContact OD1-N 2.82Å; N483-N485 PolarHBondContact OD1-ND2 3.47Å; N483-T543 PolarHBondContact ND2-O 3.07Å; N483-F544 PolarHBondContact ND2-O 2.84Å
484	N	88.5	Confident	91.2	Very high	101 Å²	101	34.7 Å²	34.7	54%	0.54	19%	0.192	S	C	.	.			trans	-99	14.1	-178.4	-62.1	-23.4	0	0	0	112.6	P481	P481-N484 WeakPolarHBondContact CA-OD1 3.26Å
485	N	92.1	Very high	91.2	Very high	59 Å²	59	34.8 Å²	34.8	32%	0.316	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-71.3	138.9	172	-70.7	-20.7	0	0	0	110.2	N483 T543	N483-N485 VanDerWaalsContact OD1-CB 3.31Å; N483-N485 WeakPolarHBondContact OD1-CB 3.43Å; N483-N485 VanDerWaalsContact OD1-CG 3.3Å; N483-N485 PolarHBondContact OD1-N 2.82Å; N483-N485 PolarHBondContact OD1-ND2 3.47Å; N485-T543 PolarHBondContact ND2-O 3.11Å
486	C	92.8	Very high	91.1	Very high	10 Å²	10	36.5 Å²	36.5	7%	0.068	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-69.4	143.6	178.4	-60.7	0	0	0	0	111.3	C475 I488	C475-C486 HydrophobicContact CB-CB 3.5Å; C475-C486 WeakPolarHBondContact CB-SG 3.33Å; C475-C486 WeakPolarHBondContact SG-CA 3.4Å; C475-C486 WeakPolarHBondContact SG-CB 3.45Å; C475-C486 CovalentContact SG-SG 2.02Å; C475-C486 PolarHBondContact SG-SG 2.99Å; C486-I488 HydrophobicContact CB-CG1 4.35Å; C486-I488 PolarHBondContact O-N 3.47Å
487	T	93.4	Very high	91.2	Very high	13 Å²	13	34.8 Å²	34.8	8%	0.08	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-61.9	121.4	164.2	-58.7	0	0	0	0	109	L476 P478 L489 F544 P573	L476-T487 PolarHBondContact O-N 3.39Å; L476-T487 PolarHBondContact O-OG1 3.34Å; P478-T487 WeakPolarHBondContact CD-OG1 3.32Å; T487-L489 HydrophobicContact CG2-CD2 3.95Å; T487-L489 HydrophobicContact CG2-CG 4.27Å; T487-F544 HydrophobicContact CG2-CD1 4.48Å; T487-F544 HydrophobicContact CG2-CD2 4.26Å; T487-F544 HydrophobicContact CG2-CE1 4.28Å; T487-F544 HydrophobicContact CG2-CE2 4.03Å; T487-F544 HydrophobicContact CG2-CG 4.48Å; T487-F544 HydrophobicContact CG2-CZ 4.06Å; T487-P573 HydrophobicContact CG2-CG 4.09Å; T487-P573 VanDerWaalsContact O-CD 3.23Å; T487-P573 WeakPolarHBondContact O-CD 3.35Å
488	I	95.5	Very high	91.4	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	19%	0.193	C	C	.	.			trans	-131.8	119.6	172.6	-58.4	175.1	0	0	0	105.6	Q454 E458 C486 N493 I570 F572	Q454-I488 HydrophobicContact CG-CG2 4.49Å; E458-I488 HydrophobicContact CG-CD1 3.69Å; E458-I488 WeakPolarHBondContact OE1-CD1 3.32Å; C486-I488 HydrophobicContact CB-CG1 4.35Å; C486-I488 PolarHBondContact O-N 3.47Å; I488-N493 PolarHBondContact O-ND2 2.84Å; I488-I570 HydrophobicContact CG2-CG2 4.36Å; I488-F572 HydrophobicContact CD1-CD1 4.27Å; I488-F572 HydrophobicContact CD1-CE1 4.01Å; I488-F572 HydrophobicContact CG1-CD1 3.97Å; I488-F572 HydrophobicContact CG1-CE1 4.13Å; I488-F572 HydrophobicContact CG2-CD1 4.15Å; I488-F572 HydrophobicContact CG2-CE1 3.89Å
489	L	94.6	Very high	91.8	Very high	30 Å²	30	36.1 Å²	36.1	16%	0.157	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-97.8	102.1	179.5	-54	177.6	0	0	0	107.4	T487 F544 L552 I570 T571	T487-L489 HydrophobicContact CG2-CD2 3.95Å; T487-L489 HydrophobicContact CG2-CG 4.27Å; L489-F544 HydrophobicContact CD2-CZ 4.21Å; L489-L552 HydrophobicContact CD1-CD1 4.36Å; L489-I570 CarbonylContact O-C 3.56Å; L489-I570 VanDerWaalsContact O-CA 3.32Å; L489-I570 WeakPolarHBondContact O-CA 3.45Å; L489-T571 PolarHBondContact N-O 3.08Å; L489-T571 PolarHBondContact O-N 3.07Å
490	S	95.3	Very high	92.3	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.014	22%	0.22	C	C	.	.	S	Bend	trans	-155	148.2	-175.9	169.9	0	0	0	0	108.8	Q454 L492 N493	Q454-S490 VanDerWaalsContact OE1-CB 3.22Å; Q454-S490 PolarHBondContact OE1-OG 3.42Å; S490-L492 PolarHBondContact O-N 2.91Å; S490-L492 VanDerWaalsContact O-N 3.14Å; S490-L492 PolarHBondContact OG-N 2.91Å; S490-N493 WeakPolarHBondContact O-CB 3.35Å; S490-N493 PolarHBondContact O-N 3.36Å; S490-N493 VanDerWaalsContact O-N 3.08Å
491	V	95.5	Very high	92.6	Very high	2 Å²	2	39 Å²	39	1%	0.012	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-57.6	-27.7	174.2	68.3	0	0	0	0	111.9	L447 N493 Y494 F520 L554 L568	L447-V491 HydrophobicContact CD2-CG1 4.13Å; V491-N493 PolarHBondContact O-N 3.28Å; V491-Y494 HydrophobicContact CG2-CD2 3.89Å; V491-Y494 HydrophobicContact CG2-CE2 4.09Å; V491-Y494 WeakPolarHBondContact O-CB 3.4Å; V491-Y494 WeakPolarHBondContact O-CD2 3.31Å; V491-Y494 PolarHBondContact O-N 2.72Å; V491-Y494 VanDerWaalsContact O-N 3.13Å; V491-F520 HydrophobicContact CG2-CD2 3.86Å; V491-F520 HydrophobicContact CG2-CE2 3.61Å; V491-L554 HydrophobicContact CB-CD2 4.28Å; V491-L554 HydrophobicContact CG2-CD2 4.27Å; V491-L568 HydrophobicContact CG1-CD1 4.23Å; V491-L568 HydrophobicContact CG1-CD2 3.86Å
492	L	96.3	Very high	93.1	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-68.7	-16.9	-179.3	-61.6	171.3	0	0	0	113.3	L447 V450 L451 S490 Y494 F495 Q496 N497	L447-L492 HydrophobicContact CB-CD2 4.22Å; L447-L492 HydrophobicContact CD2-CD2 4.32Å; V450-L492 HydrophobicContact CB-CD1 4.39Å; V450-L492 HydrophobicContact CG1-CD1 3.9Å; L451-L492 VanDerWaalsContact CA-CD1 3.41Å; L451-L492 HydrophobicContact CB-CD1 3.66Å; L451-L492 HydrophobicContact CB-CD2 4.16Å; L451-L492 HydrophobicContact CB-CG 4.49Å; L451-L492 HydrophobicContact CD1-CB 4.36Å; L451-L492 HydrophobicContact CD1-CD1 3.95Å; L451-L492 HydrophobicContact CG-CD1 4.38Å; S490-L492 PolarHBondContact O-N 2.91Å; S490-L492 VanDerWaalsContact O-N 3.14Å; S490-L492 PolarHBondContact OG-N 2.91Å; L492-Y494 VanDerWaalsContact C-N 3.25Å; L492-Y494 PolarHBondContact O-N 3.37Å; L492-F495 CarbonylContact O-C 3.59Å; L492-F495 WeakPolarHBondContact O-CA 3.26Å; L492-F495 PolarHBondContact O-N 2.86Å; L492-Q496 PolarHBondContact O-N 3.49Å; L492-N497 PolarHBondContact O-N 3.21Å
493	N	94.6	Very high	93.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-70.1	-22	173.4	-93.5	-84	0	0	0	113	I488 S490 V491 F495 Q496 N497 G542 T543 V548	I488-N493 PolarHBondContact O-ND2 2.84Å; S490-N493 WeakPolarHBondContact O-CB 3.35Å; S490-N493 PolarHBondContact O-N 3.36Å; S490-N493 VanDerWaalsContact O-N 3.08Å; V491-N493 PolarHBondContact O-N 3.28Å; N493-F495 PolarHBondContact O-N 3.49Å; N493-Q496 PolarHBondContact O-N 3.28Å; N493-Q496 PolarHBondContact O-NE2 3.17Å; N493-N497 PolarHBondContact ND2-OD1 2.85Å; N493-G542 WeakPolarHBondContact OD1-CA 3.07Å; N493-T543 PolarHBondContact OD1-N 2.82Å; N493-T543 PolarHBondContact OD1-OG1 3.38Å; N493-V548 HydrophobicContact CB-CG2 3.78Å
494	Y	92.5	Very high	93.9	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-59.4	-29.5	168.2	-62.5	-31	0	0	0	111.3	V491 L492 Q496 H519 F520 C523 V524 P527 V548	V491-Y494 HydrophobicContact CG2-CD2 3.89Å; V491-Y494 HydrophobicContact CG2-CE2 4.09Å; V491-Y494 WeakPolarHBondContact O-CB 3.4Å; V491-Y494 WeakPolarHBondContact O-CD2 3.31Å; V491-Y494 PolarHBondContact O-N 2.72Å; V491-Y494 VanDerWaalsContact O-N 3.13Å; L492-Y494 VanDerWaalsContact C-N 3.25Å; L492-Y494 PolarHBondContact O-N 3.37Å; Y494-Q496 PolarHBondContact O-NE2 3.2Å; Y494-H519 PolarHBondContact O-NE2 3.04Å; Y494-H519 VanDerWaalsContact O-NE2 3.11Å; Y494-F520 HydrophobicContact CD2-CD2 4.42Å; Y494-C523 HydrophobicContact CD1-CB 3.73Å; Y494-C523 HydrophobicContact CD2-CB 3.94Å; Y494-C523 HydrophobicContact CE1-CB 3.98Å; Y494-C523 HydrophobicContact CE2-CB 4.18Å; Y494-C523 HydrophobicContact CG-CB 3.71Å; Y494-V524 HydrophobicContact CE2-CG1 3.87Å; Y494-P527 HydrophobicContact CE1-CB 4.39Å; Y494-V548 HydrophobicContact CE1-CB 4.04Å; Y494-V548 VanDerWaalsContact CE1-O 3.3Å; Y494-V548 WeakPolarHBondContact CE1-O 3.43Å; Y494-V548 PolarHBondContact OH-O 3.3Å
495	F	94.9	Very high	94	Very high	3 Å²	3	28.5 Å²	28.5	1%	0.013	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-102.9	22.3	176.5	-49.3	-80.7	0	0	0	112.4	L492 N493 N497 S498 V501 L502 Y516 H519 F520	L492-F495 CarbonylContact O-C 3.59Å; L492-F495 WeakPolarHBondContact O-CA 3.26Å; L492-F495 PolarHBondContact O-N 2.86Å; N493-F495 PolarHBondContact O-N 3.49Å; F495-N497 PolarHBondContact O-N 2.85Å; F495-S498 PolarHBondContact O-N 3.42Å; F495-V501 HydrophobicContact CB-CB 4.37Å; F495-V501 HydrophobicContact CB-CG1 4.19Å; F495-V501 HydrophobicContact CD1-CG1 4.43Å; F495-L502 HydrophobicContact CB-CB 4.3Å; F495-L502 HydrophobicContact CD1-CD1 4.09Å; F495-L502 HydrophobicContact CD2-CD1 3.83Å; F495-L502 HydrophobicContact CE1-CD1 4.07Å; F495-L502 HydrophobicContact CE2-CD1 3.83Å; F495-L502 HydrophobicContact CG-CB 4.32Å; F495-L502 HydrophobicContact CG-CD1 3.96Å; F495-L502 HydrophobicContact CZ-CD1 3.95Å; F495-Y516 HydrophobicContact CZ-CD2 4.48Å; F495-H519 AromaticContact CD1-CD2 3.76Å; F495-H519 HydrophobicContact CE1-CB 4.25Å; F495-H519 AromaticContact CE1-CD2 3.54Å; F495-F520 HydrophobicContact CZ-CB 4.36Å
496	Q	92.1	Very high	93.7	Very high	43 Å²	43	28.4 Å²	28.4	20%	0.201	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	32.9	179.3	-65.7	70.6	59.3	0	0	114.3	L492 N493 Y494 S498 P539 L541 T543	L492-Q496 PolarHBondContact O-N 3.49Å; N493-Q496 PolarHBondContact O-N 3.28Å; N493-Q496 PolarHBondContact O-NE2 3.17Å; Y494-Q496 PolarHBondContact O-NE2 3.2Å; Q496-S498 PolarHBondContact O-N 3.28Å; Q496-P539 HydrophobicContact CG-CG 4.4Å; Q496-P539 PolarHBondContact NE2-O 3.38Å; Q496-L541 PolarHBondContact NE2-O 3.39Å; Q496-T543 HydrophobicContact CB-CG2 4.08Å; Q496-T543 VanDerWaalsContact O-CG2 3.31Å; Q496-T543 WeakPolarHBondContact O-CG2 3.28Å
497	N	94.4	Very high	93.3	Very high	17 Å²	17	30 Å²	30	9%	0.091	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	31.9	-175.7	-56.7	-22.1	0	0	0	113.3	L451 Q454 E458 L492 N493 F495 T543	L451-N497 HydrophobicContact CD1-CB 4.1Å; Q454-N497 PolarHBondContact NE2-ND2 2.94Å; Q454-N497 VanDerWaalsContact NE2-ND2 3.16Å; Q454-N497 PolarHBondContact NE2-OD1 3.24Å; E458-N497 PolarHBondContact OE1-ND2 3.44Å; L492-N497 PolarHBondContact O-N 3.21Å; N493-N497 PolarHBondContact ND2-OD1 2.85Å; F495-N497 PolarHBondContact O-N 2.85Å; N497-T543 HydrophobicContact CB-CG2 4.37Å
498	S	95.4	Very high	92.7	Very high	36 Å²	36	32.8 Å²	32.8	25%	0.252	20%	0.195	S	C	.	.			trans	-118	127	-178.5	-177.2	0	0	0	0	112.2	F495 Q496 S500 V501 L502	F495-S498 PolarHBondContact O-N 3.42Å; Q496-S498 PolarHBondContact O-N 3.28Å; S498-S500 PolarHBondContact O-N 3.29Å; S498-S500 PolarHBondContact OG-N 3.47Å; S498-S500 PolarHBondContact OG-OG 3.21Å; S498-V501 PolarHBondContact O-N 3.38Å; S498-L502 PolarHBondContact O-N 2.97Å; S498-L502 VanDerWaalsContact O-N 3.09Å
499	H	95.3	Very high	92	Very high	53 Å²	53	41.5 Å²	41.5	25%	0.245	24%	0.236	C	C	.	.	H	α-helix	trans	-58.6	-34.8	170.7	-65.1	-76.3	0	0	0	111.8	H448 D452 V501 L502 D503	H448-H499 AromaticContact CE1-ND1 3.61Å; H448-H499 AromaticContact CG-ND1 3.9Å; H448-H499 AromaticContact ND1-CE1 3.77Å; H448-H499 AromaticContact ND1-CG 3.85Å; H448-H499 AromaticContact ND1-ND1 2.89Å; H448-H499 PolarHBondContact ND1-ND1 3.42Å; D452-H499 IonicContact OD1-CE1 2.83Å; D452-H499 PolarHBondContact OD1-CE1 2.66Å; D452-H499 IonicContact OD1-NE2 2.94Å; D452-H499 PolarHBondContact OD1-NE2 3.32Å; H499-V501 PolarHBondContact O-N 3.32Å; H499-L502 PolarHBondContact O-N 3.36Å; H499-D503 VanDerWaalsContact O-CB 3.29Å; H499-D503 WeakPolarHBondContact O-CB 3.36Å; H499-D503 PolarHBondContact O-N 2.66Å
500	S	94.7	Very high	91.1	Very high	84 Å²	84	48 Å²	48	59%	0.587	26%	0.263	S	S	*	.	H	α-helix	trans	-67.8	-35.7	-178	70.6	0	0	0	0	113	S498 H504	S498-S500 PolarHBondContact O-N 3.29Å; S498-S500 PolarHBondContact OG-N 3.47Å; S498-S500 PolarHBondContact OG-OG 3.21Å; S500-H504 PolarHBondContact O-N 3.09Å
501	V	92.7	Very high	90.3	Very high	27 Å²	27	54.2 Å²	54.2	16%	0.164	29%	0.287	C	S	.	.	H	α-helix	trans	-77.2	-38.2	178.5	-178.6	0	0	0	0	109.6	F495 S498 H499 D503 H504 D538	F495-V501 HydrophobicContact CB-CB 4.37Å; F495-V501 HydrophobicContact CB-CG1 4.19Å; F495-V501 HydrophobicContact CD1-CG1 4.43Å; S498-V501 PolarHBondContact O-N 3.38Å; H499-V501 PolarHBondContact O-N 3.32Å; V501-D503 VanDerWaalsContact C-N 3.26Å; V501-D503 PolarHBondContact O-N 2.94Å; V501-H504 WeakPolarHBondContact O-CB 3.48Å; V501-H504 PolarHBondContact O-N 3.49Å; V501-H504 VanDerWaalsContact O-N 3.15Å; V501-D538 HydrophobicContact CG1-CB 4.48Å
502	L	94.5	Very high	89.6	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-62.8	-33.7	171.9	-176.7	62.5	0	0	0	112.6	K444 L447 F495 S498 H499 H504 Y516	K444-L502 WeakPolarHBondContact CE-O 3.47Å; L447-L502 HydrophobicContact CB-CD2 3.94Å; L447-L502 HydrophobicContact CD1-CD1 4.17Å; F495-L502 HydrophobicContact CB-CB 4.3Å; F495-L502 HydrophobicContact CD1-CD1 4.09Å; F495-L502 HydrophobicContact CD2-CD1 3.83Å; F495-L502 HydrophobicContact CE1-CD1 4.07Å; F495-L502 HydrophobicContact CE2-CD1 3.83Å; F495-L502 HydrophobicContact CG-CB 4.32Å; F495-L502 HydrophobicContact CG-CD1 3.96Å; F495-L502 HydrophobicContact CZ-CD1 3.95Å; S498-L502 PolarHBondContact O-N 2.97Å; S498-L502 VanDerWaalsContact O-N 3.09Å; H499-L502 PolarHBondContact O-N 3.36Å; L502-H504 VanDerWaalsContact C-N 3.32Å; L502-Y516 HydrophobicContact CD1-CD2 4.45Å; L502-Y516 HydrophobicContact CD1-CG 4.46Å
503	D	94.6	Very high	88.7	Confident	76 Å²	76	61 Å²	61	41%	0.406	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-9.1	176.1	-81.6	-43.8	0	0	0	114.4	K444 H448 H499 V501 S505	K444-D503 WeakPolarHBondContact CE-OD1 3.41Å; K444-D503 IonicContact NZ-OD1 3.71Å; K444-D503 PolarHBondContact NZ-OD1 3.41Å; H448-D503 IonicContact CE1-OD1 3.41Å; H448-D503 IonicContact CE1-OD2 2.69Å; H448-D503 PolarHBondContact CE1-OD2 3.45Å; H448-D503 VanDerWaalsContact CE1-OD2 3.3Å; H448-D503 IonicContact NE2-OD1 3.48Å; H448-D503 PolarHBondContact NE2-OD1 2.93Å; H448-D503 IonicContact NE2-OD2 3.3Å; H499-D503 VanDerWaalsContact O-CB 3.29Å; H499-D503 WeakPolarHBondContact O-CB 3.36Å; H499-D503 PolarHBondContact O-N 2.66Å; V501-D503 VanDerWaalsContact C-N 3.26Å; V501-D503 PolarHBondContact O-N 2.94Å; D503-S505 PolarHBondContact O-N 3.29Å
504	H	91.3	Very high	88	Confident	68 Å²	68	61.2 Å²	61.2	32%	0.315	32%	0.322	S	S	.	.			trans	-64.6	122	-175.7	-168.2	-163.2	0	0	0	110.6	S500 V501 L502 L536 D538	S500-H504 PolarHBondContact O-N 3.09Å; V501-H504 WeakPolarHBondContact O-CB 3.48Å; V501-H504 PolarHBondContact O-N 3.49Å; V501-H504 VanDerWaalsContact O-N 3.15Å; L502-H504 VanDerWaalsContact C-N 3.32Å; H504-L536 HydrophobicContact CB-CD2 4.44Å; H504-D538 IonicContact CE1-OD2 2.64Å; H504-D538 IonicContact CG-OD2 3.64Å; H504-D538 IonicContact ND1-OD1 2.81Å; H504-D538 IonicContact ND1-OD2 3.73Å; H504-D538 PolarHBondContact ND1-OD2 2.91Å
505	S	90.8	Very high	87.8	Confident	70 Å²	70	62.4 Å²	62.4	49%	0.49	33%	0.329	S	S	.	.			trans	-142.8	147.1	173.4	66.9	0	0	0	0	110.6	D503 A514	D503-S505 PolarHBondContact O-N 3.29Å; S505-A514 WeakPolarHBondContact CA-O 3.35Å
506	I	86.1	Confident	87.6	Confident	57 Å²	57	63 Å²	63	29%	0.292	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	122.5	178	-65.9	171.6	0	0	0	107.2	Y513 A514 L535 L536	I506-Y513 HydrophobicContact CG2-CD2 4.35Å; I506-Y513 WeakPolarHBondContact O-CA 3.24Å; I506-Y513 WeakPolarHBondContact O-CB 3.43Å; I506-Y513 PolarHBondContact O-N 3.05Å; I506-A514 PolarHBondContact N-O 3.04Å; I506-A514 PolarHBondContact O-N 3.29Å; I506-L535 HydrophobicContact CD1-CB 4.23Å; I506-L535 WeakPolarHBondContact CD1-O 3.19Å; I506-L536 HydrophobicContact CD1-CD2 3.86Å; I506-L536 HydrophobicContact CD1-CG 4.49Å; I506-L536 HydrophobicContact CG1-CD2 3.89Å
507	G	84.2	Confident	87.4	Confident	43 Å²	43	61.3 Å²	61.3	44%	0.443	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.7	172.4	-176.7	0	0	0	0	0	112.6	Y511	G507-Y511 CarbonylContact C-O 3.44Å; G507-Y511 WeakPolarHBondContact CA-O 3.28Å
508	D	82.4	Confident	86.8	Confident	71 Å²	71	61.3 Å²	61.3	38%	0.38	33%	0.325	S	S	.	.			trans	-97.7	-175.7	166.3	65.8	31.8	0	0	0	110.7	F510 Y511 Y513	D508-F510 PolarHBondContact O-N 2.93Å; D508-F510 VanDerWaalsContact O-N 3.17Å; D508-F510 WeakPolarHBondContact OD1-CA 3.2Å; D508-F510 PolarHBondContact OD1-N 3.12Å; D508-Y511 PolarHBondContact N-O 3.2Å; D508-Y511 PolarHBondContact OD1-N 2.91Å; D508-Y513 PolarHBondContact OD2-OH 2.98Å
509	E	79.7	Confident	86.3	Confident	188 Å²	188	59.7 Å²	59.7	88%	0.879	31%	0.313	S	S	*	.	S	Bend	trans	-63.5	-19.6	-177.7	-162	176.8	-172.6	0	0	113.3
510	F	76.5	Confident	86	Confident	166 Å²	166	57.3 Å²	57.3	73%	0.728	30%	0.302	S	S	*	.	S	Bend	trans	-109.1	-27.5	-175.3	-67.1	-83.4	0	0	0	113.4	D508	D508-F510 PolarHBondContact O-N 2.93Å; D508-F510 VanDerWaalsContact O-N 3.17Å; D508-F510 WeakPolarHBondContact OD1-CA 3.2Å; D508-F510 PolarHBondContact OD1-N 3.12Å
511	Y	76.8	Confident	85.4	Confident	133 Å²	133	55.3 Å²	55.3	52%	0.522	29%	0.285	S	S	.	.			trans	-140.3	134.8	-169.6	-59.2	-74.3	0	0	0	112	Y430 G507 D508	Y430-Y511 HydrophobicContact CD2-CD1 4.16Å; Y430-Y511 HydrophobicContact CD2-CG 4.19Å; Y430-Y511 AromaticContact CE2-CD1 3.99Å; Y430-Y511 HydrophobicContact CE2-CD1 3.99Å; Y430-Y511 HydrophobicContact CE2-CD2 4.27Å; Y430-Y511 AromaticContact CE2-CG 3.77Å; Y430-Y511 HydrophobicContact CE2-CG 3.77Å; G507-Y511 CarbonylContact C-O 3.44Å; G507-Y511 WeakPolarHBondContact CA-O 3.28Å; D508-Y511 PolarHBondContact N-O 3.2Å; D508-Y511 PolarHBondContact OD1-N 2.91Å
512	V	82.3	Confident	84.8	Confident	76 Å²	76	54.8 Å²	54.8	46%	0.461	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	117.9	169	-175.1	0	0	0	0	108.1	D515	V512-D515 HydrophobicContact CG1-CB 3.86Å
513	Y	77	Confident	84.2	Confident	70 Å²	70	54.8 Å²	54.8	28%	0.275	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-39.5	180	-54.4	-41.6	0	0	0	111.9	Y430 I506 D508 L535	Y430-Y513 AromaticContact CD1-CD1 3.75Å; Y430-Y513 HydrophobicContact CD1-CD1 3.75Å; Y430-Y513 HydrophobicContact CD1-CE1 4.32Å; Y430-Y513 HydrophobicContact CD2-CD1 4.35Å; Y430-Y513 AromaticContact CE1-CD1 3.78Å; Y430-Y513 HydrophobicContact CE1-CD1 3.78Å; Y430-Y513 AromaticContact CE1-CE1 3.88Å; Y430-Y513 HydrophobicContact CE1-CE1 3.88Å; Y430-Y513 HydrophobicContact CE2-CD1 4.36Å; Y430-Y513 HydrophobicContact CE2-CE1 4.22Å; Y430-Y513 HydrophobicContact CG-CD1 4.05Å; Y430-Y513 AromaticContact CZ-CE1 3.82Å; I506-Y513 HydrophobicContact CG2-CD2 4.35Å; I506-Y513 WeakPolarHBondContact O-CA 3.24Å; I506-Y513 WeakPolarHBondContact O-CB 3.43Å; I506-Y513 PolarHBondContact O-N 3.05Å; D508-Y513 PolarHBondContact OD2-OH 2.98Å; Y513-L535 HydrophobicContact CG-CD1 4.49Å
514	A	79.4	Confident	83.6	Confident	3 Å²	3	51.7 Å²	51.7	3%	0.025	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	141.4	174.8	0	0	0	0	0	110.8	S505 I506 L535 L536	S505-A514 WeakPolarHBondContact CA-O 3.35Å; I506-A514 PolarHBondContact N-O 3.04Å; I506-A514 PolarHBondContact O-N 3.29Å; A514-L535 HydrophobicContact CB-CB 4.09Å; A514-L536 HydrophobicContact CB-CD1 4.26Å; A514-L536 HydrophobicContact CB-CD2 4.49Å; A514-L536 HydrophobicContact CB-CG 3.94Å
515	D	88.3	Confident	82.8	Confident	25 Å²	25	49.5 Å²	49.5	13%	0.134	26%	0.256	C	S	.	.			trans	-146	-169.9	178.3	68.7	-1.5	0	0	0	111.1	V512 H517 S518 H519 L536	V512-D515 HydrophobicContact CG1-CB 3.86Å; D515-H517 PolarHBondContact O-N 2.59Å; D515-H517 VanDerWaalsContact OD1-CB 3.28Å; D515-H517 WeakPolarHBondContact OD1-CB 3.32Å; D515-H517 IonicContact OD1-CG 3.48Å; D515-H517 PolarHBondContact OD1-N 3.3Å; D515-H517 IonicContact OD1-ND1 2.75Å; D515-H517 PolarHBondContact OD1-ND1 3.49Å; D515-H517 IonicContact OD2-CE1 3.96Å; D515-H517 IonicContact OD2-CG 2.82Å; D515-H517 IonicContact OD2-ND1 3.25Å; D515-H517 PolarHBondContact OD2-ND1 3.44Å; D515-S518 PolarHBondContact N-OG 2.9Å; D515-S518 WeakPolarHBondContact O-CB 3.49Å; D515-S518 PolarHBondContact O-N 3.27Å; D515-S518 VanDerWaalsContact O-N 3.07Å; D515-S518 PolarHBondContact OD1-N 2.91Å; D515-H519 PolarHBondContact O-N 3.45Å; D515-H519 VanDerWaalsContact O-N 3.12Å; D515-L536 WeakPolarHBondContact O-CD1 3.34Å
516	Y	91.3	Very high	81.8	Confident	16 Å²	16	46.2 Å²	46.2	6%	0.063	23%	0.233	C	C	.	.	H	α-helix	trans	-58	-27.5	178.8	84.7	-86.6	0	0	0	113.9	L442 K444 L447 F495 L502 F520	L442-Y516 PolarHBondContact O-OH 3Å; K444-Y516 HydrophobicContact CB-CE1 3.78Å; K444-Y516 HydrophobicContact CD-CD1 4.04Å; K444-Y516 HydrophobicContact CD-CE1 3.94Å; K444-Y516 HydrophobicContact CG-CD1 4.32Å; K444-Y516 HydrophobicContact CG-CE1 4.08Å; K444-Y516 PolarHBondContact N-OH 3.44Å; L447-Y516 HydrophobicContact CD1-CD2 4.28Å; L447-Y516 HydrophobicContact CD1-CE2 4.08Å; F495-Y516 HydrophobicContact CZ-CD2 4.48Å; L502-Y516 HydrophobicContact CD1-CD2 4.45Å; L502-Y516 HydrophobicContact CD1-CG 4.46Å; Y516-F520 WeakPolarHBondContact O-CB 3.48Å; Y516-F520 PolarHBondContact O-N 2.97Å
517	H	87.4	Confident	81.4	Confident	8 Å²	8	43.5 Å²	43.5	4%	0.037	22%	0.219	C	C	.	.	H	α-helix	trans	-67.9	-44.4	176	-57.1	96.5	0	0	0	110.3	Y427 F438 D515 H519 F520 L521	Y427-H517 HydrophobicContact CD1-CB 3.9Å; Y427-H517 HydrophobicContact CD2-CB 3.72Å; Y427-H517 AromaticContact CD2-CG 3.75Å; Y427-H517 AromaticContact CD2-ND1 3.76Å; Y427-H517 HydrophobicContact CE1-CB 4.03Å; Y427-H517 HydrophobicContact CE2-CB 3.87Å; Y427-H517 HydrophobicContact CG-CB 3.75Å; Y427-H517 AromaticContact CG-CG 3.93Å; F438-H517 AromaticContact CD1-CD2 3.99Å; F438-H517 AromaticContact CD2-CD2 3.84Å; F438-H517 AromaticContact CE1-CD2 3.98Å; F438-H517 HydrophobicContact CE2-CB 4.27Å; F438-H517 AromaticContact CE2-CD2 3.83Å; F438-H517 AromaticContact CG-CD2 3.92Å; F438-H517 HydrophobicContact CZ-CB 4.11Å; F438-H517 AromaticContact CZ-CD2 3.89Å; D515-H517 PolarHBondContact O-N 2.59Å; D515-H517 VanDerWaalsContact OD1-CB 3.28Å; D515-H517 WeakPolarHBondContact OD1-CB 3.32Å; D515-H517 IonicContact OD1-CG 3.48Å; D515-H517 PolarHBondContact OD1-N 3.3Å; D515-H517 IonicContact OD1-ND1 2.75Å; D515-H517 PolarHBondContact OD1-ND1 3.49Å; D515-H517 IonicContact OD2-CE1 3.96Å; D515-H517 IonicContact OD2-CG 2.82Å; D515-H517 IonicContact OD2-ND1 3.25Å; D515-H517 PolarHBondContact OD2-ND1 3.44Å; H517-H519 VanDerWaalsContact C-N 3.34Å; H517-F520 PolarHBondContact O-N 3.48Å; H517-L521 WeakPolarHBondContact O-CB 3.3Å; H517-L521 VanDerWaalsContact O-CG 3.3Å; H517-L521 WeakPolarHBondContact O-CG 3.18Å; H517-L521 PolarHBondContact O-N 3.31Å
518	S	81.3	Confident	80.9	Confident	17 Å²	17	43 Å²	43	12%	0.119	21%	0.21	C	C	.	.	H	α-helix	trans	-58.9	-47.9	176.2	-46.1	0	0	0	0	110.9	Y427 D515 L521 Y522	Y427-S518 PolarHBondContact OH-OG 2.92Å; D515-S518 PolarHBondContact N-OG 2.9Å; D515-S518 WeakPolarHBondContact O-CB 3.49Å; D515-S518 PolarHBondContact O-N 3.27Å; D515-S518 VanDerWaalsContact O-N 3.07Å; D515-S518 PolarHBondContact OD1-N 2.91Å; S518-L521 PolarHBondContact O-N 2.69Å; S518-Y522 PolarHBondContact O-N 3.14Å; S518-Y522 VanDerWaalsContact O-N 3.09Å
519	H	85.4	Confident	80.4	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-65.4	-43.9	-179.9	-170.7	59	0	0	0	112.3	Y494 F495 D515 H517 L521 Y522 C523 D532 L536 D538	Y494-H519 PolarHBondContact O-NE2 3.04Å; Y494-H519 VanDerWaalsContact O-NE2 3.11Å; F495-H519 AromaticContact CD1-CD2 3.76Å; F495-H519 HydrophobicContact CE1-CB 4.25Å; F495-H519 AromaticContact CE1-CD2 3.54Å; D515-H519 PolarHBondContact O-N 3.45Å; D515-H519 VanDerWaalsContact O-N 3.12Å; H517-H519 VanDerWaalsContact C-N 3.34Å; H519-L521 PolarHBondContact O-N 3.47Å; H519-Y522 PolarHBondContact O-N 2.95Å; H519-C523 PolarHBondContact CE1-SG 3.01Å; H519-C523 PolarHBondContact NE2-SG 3.18Å; H519-C523 PolarHBondContact O-N 2.65Å; H519-C523 PolarHBondContact O-SG 3.32Å; H519-C523 VanDerWaalsContact O-SG 3.41Å; H519-D532 IonicContact CE1-OD2 3.27Å; H519-D532 IonicContact CG-OD2 3.89Å; H519-D532 IonicContact ND1-OD2 3.36Å; H519-D532 PolarHBondContact ND1-OD2 3.3Å; H519-L536 HydrophobicContact CB-CD1 3.97Å; H519-D538 PolarHBondContact CE1-O 3.44Å
520	F	89.4	Confident	80	Confident	4 Å²	4	34.2 Å²	34.2	2%	0.018	17%	0.171	C	C	.	.	H	α-helix	trans	-57.6	-50.2	176	171.6	-93	0	0	0	111.7	F438 L442 V491 Y494 F495 Y516 H517 Y522 C523 V524 L554	F438-F520 AromaticContact CE1-CD1 3.56Å; F438-F520 HydrophobicContact CE1-CD1 3.56Å; F438-F520 AromaticContact CE1-CE1 3.79Å; F438-F520 HydrophobicContact CE1-CE1 3.79Å; F438-F520 HydrophobicContact CE1-CG 4.37Å; F438-F520 AromaticContact CZ-CD1 3.86Å; F438-F520 HydrophobicContact CZ-CD1 3.86Å; F438-F520 HydrophobicContact CZ-CE1 4.28Å; L442-F520 HydrophobicContact CD1-CE1 4.16Å; L442-F520 HydrophobicContact CD1-CZ 3.9Å; L442-F520 HydrophobicContact CD2-CE2 4.18Å; L442-F520 HydrophobicContact CD2-CZ 4.24Å; V491-F520 HydrophobicContact CG2-CD2 3.86Å; V491-F520 HydrophobicContact CG2-CE2 3.61Å; Y494-F520 HydrophobicContact CD2-CD2 4.42Å; F495-F520 HydrophobicContact CZ-CB 4.36Å; Y516-F520 WeakPolarHBondContact O-CB 3.48Å; Y516-F520 PolarHBondContact O-N 2.97Å; H517-F520 PolarHBondContact O-N 3.48Å; F520-Y522 VanDerWaalsContact C-N 3.25Å; F520-Y522 PolarHBondContact O-N 3.36Å; F520-C523 PolarHBondContact O-N 3.11Å; F520-V524 HydrophobicContact CD1-CG1 4.4Å; F520-V524 HydrophobicContact CD2-CG1 4.16Å; F520-V524 HydrophobicContact CE1-CG1 4.02Å; F520-V524 HydrophobicContact CE2-CG1 3.75Å; F520-V524 HydrophobicContact CG-CG1 4.48Å; F520-V524 HydrophobicContact CZ-CG1 3.69Å; F520-V524 WeakPolarHBondContact O-CG1 3.4Å; F520-V524 WeakPolarHBondContact O-CG2 3.37Å; F520-V524 PolarHBondContact O-N 3.06Å; F520-L554 HydrophobicContact CE2-CD1 4.03Å; F520-L554 HydrophobicContact CZ-CD1 3.78Å
521	L	82.6	Confident	79.7	Confident	42 Å²	42	29.9 Å²	29.9	22%	0.22	16%	0.155	C	C	.	.	H	α-helix	trans	-61.3	-36	179.7	-70.8	171.5	0	0	0	111.9	Y427 V436 F438 H517 S518 H519 V524 S525 N563	Y427-L521 HydrophobicContact CD1-CD1 4.26Å; Y427-L521 HydrophobicContact CE1-CD1 4.27Å; V436-L521 HydrophobicContact CG1-CD1 4.37Å; V436-L521 HydrophobicContact CG1-CD2 4.33Å; V436-L521 HydrophobicContact CG2-CD1 4.36Å; F438-L521 HydrophobicContact CE2-CD1 4.3Å; F438-L521 HydrophobicContact CE2-CD2 4.47Å; F438-L521 HydrophobicContact CE2-CG 4.48Å; F438-L521 HydrophobicContact CZ-CD1 4.24Å; F438-L521 HydrophobicContact CZ-CD2 4.01Å; F438-L521 HydrophobicContact CZ-CG 3.96Å; H517-L521 WeakPolarHBondContact O-CB 3.3Å; H517-L521 VanDerWaalsContact O-CG 3.3Å; H517-L521 WeakPolarHBondContact O-CG 3.18Å; H517-L521 PolarHBondContact O-N 3.31Å; S518-L521 PolarHBondContact O-N 2.69Å; H519-L521 PolarHBondContact O-N 3.47Å; L521-V524 WeakPolarHBondContact O-CG2 3.49Å; L521-S525 PolarHBondContact O-OG 3.4Å; L521-N563 HydrophobicContact CD2-CB 4.28Å
522	Y	78.7	Confident	79.3	Confident	16 Å²	16	23.6 Å²	23.6	6%	0.063	13%	0.131	C	C	.	.	H	α-helix	trans	-66.7	-51.6	173.7	-179.5	-94.3	0	0	0	111.6	S518 H519 F520 V524 S525 A526 S529 N531 D532 T533 C540	S518-Y522 PolarHBondContact O-N 3.14Å; S518-Y522 VanDerWaalsContact O-N 3.09Å; H519-Y522 PolarHBondContact O-N 2.95Å; F520-Y522 VanDerWaalsContact C-N 3.25Å; F520-Y522 PolarHBondContact O-N 3.36Å; Y522-V524 PolarHBondContact O-N 3.26Å; Y522-S525 CarbonylContact O-C 3.54Å; Y522-S525 WeakPolarHBondContact O-CA 3.5Å; Y522-S525 WeakPolarHBondContact O-CB 3.38Å; Y522-S525 PolarHBondContact O-N 3.45Å; Y522-A526 HydrophobicContact CE1-CB 4.2Å; Y522-A526 HydrophobicContact CE2-CB 4.5Å; Y522-A526 PolarHBondContact O-N 3.2Å; Y522-S529 PolarHBondContact OH-OG 3.2Å; Y522-N531 PolarHBondContact OH-O 2.84Å; Y522-D532 HydrophobicContact CD1-CB 3.84Å; Y522-D532 WeakPolarHBondContact CD1-OD1 3.45Å; Y522-D532 VanDerWaalsContact CD2-OD1 3.29Å; Y522-D532 WeakPolarHBondContact CD2-OD1 3.4Å; Y522-D532 HydrophobicContact CE1-CB 3.94Å; Y522-T533 HydrophobicContact CE2-CG2 4.1Å; Y522-T533 WeakPolarHBondContact CE2-OG1 3.22Å; Y522-C540 VanDerWaalsContact CD1-SG 3.56Å
523	C	82.6	Confident	78.4	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-67.5	-33.6	-175.6	-65.3	0	0	0	0	114	Y494 H519 F520 S525 A526 P527 C540	Y494-C523 HydrophobicContact CD1-CB 3.73Å; Y494-C523 HydrophobicContact CD2-CB 3.94Å; Y494-C523 HydrophobicContact CE1-CB 3.98Å; Y494-C523 HydrophobicContact CE2-CB 4.18Å; Y494-C523 HydrophobicContact CG-CB 3.71Å; H519-C523 PolarHBondContact CE1-SG 3.01Å; H519-C523 PolarHBondContact NE2-SG 3.18Å; H519-C523 PolarHBondContact O-N 2.65Å; H519-C523 PolarHBondContact O-SG 3.32Å; H519-C523 VanDerWaalsContact O-SG 3.41Å; F520-C523 PolarHBondContact O-N 3.11Å; C523-S525 PolarHBondContact O-N 3.19Å; C523-A526 CarbonylContact O-C 3.16Å; C523-A526 PolarHBondContact O-N 3.36Å; C523-P527 WeakPolarHBondContact O-CA 3.34Å; C523-P527 WeakPolarHBondContact O-CB 3.48Å; C523-P527 WeakPolarHBondContact O-CD 3.35Å; C523-C540 WeakPolarHBondContact CA-SG 3.2Å; C523-C540 HydrophobicContact CB-CB 3.72Å; C523-C540 WeakPolarHBondContact CB-SG 3.26Å; C523-C540 VanDerWaalsContact SG-CA 3.55Å; C523-C540 WeakPolarHBondContact SG-CB 3.48Å; C523-C540 CovalentContact SG-SG 2.05Å; C523-C540 PolarHBondContact SG-SG 3.24Å
524	V	83.1	Confident	77.9	Confident	11 Å²	11	19.4 Å²	19.4	7%	0.067	11%	0.113	C	C	.	.	H	α-helix	trans	-66.4	-26.5	173.2	-61.3	0	0	0	0	112.3	Y494 F520 L521 Y522 P550 L554 Y562	Y494-V524 HydrophobicContact CE2-CG1 3.87Å; F520-V524 HydrophobicContact CD1-CG1 4.4Å; F520-V524 HydrophobicContact CD2-CG1 4.16Å; F520-V524 HydrophobicContact CE1-CG1 4.02Å; F520-V524 HydrophobicContact CE2-CG1 3.75Å; F520-V524 HydrophobicContact CG-CG1 4.48Å; F520-V524 HydrophobicContact CZ-CG1 3.69Å; F520-V524 WeakPolarHBondContact O-CG1 3.4Å; F520-V524 WeakPolarHBondContact O-CG2 3.37Å; F520-V524 PolarHBondContact O-N 3.06Å; L521-V524 WeakPolarHBondContact O-CG2 3.49Å; Y522-V524 PolarHBondContact O-N 3.26Å; V524-P550 HydrophobicContact CB-CB 4.15Å; V524-P550 HydrophobicContact CG1-CB 4.15Å; V524-L554 HydrophobicContact CG1-CD1 4.31Å; V524-Y562 HydrophobicContact CB-CD2 3.81Å; V524-Y562 HydrophobicContact CB-CG 4.26Å; V524-Y562 HydrophobicContact CG2-CD2 4.01Å
525	S	72.8	Confident	77.4	Confident	23 Å²	23	22.6 Å²	22.6	16%	0.161	13%	0.129	C	C	.	.	H	α-helix	trans	-83.9	-34.4	175.8	-50.4	0	0	0	0	111.8	S178 L521 Y522 C523	S178-S525 WeakPolarHBondContact CB-O 3.29Å; L521-S525 PolarHBondContact O-OG 3.4Å; Y522-S525 CarbonylContact O-C 3.54Å; Y522-S525 WeakPolarHBondContact O-CA 3.5Å; Y522-S525 WeakPolarHBondContact O-CB 3.38Å; Y522-S525 PolarHBondContact O-N 3.45Å; C523-S525 PolarHBondContact O-N 3.19Å
526	A	69.7	Low	76.9	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.125	C	C	.	.			trans	-135.6	63.5	-172.4	0	0	0	0	0	112.8	L179 Y522 C523 A528 S529	L179-A526 HydrophobicContact CD2-CB 3.51Å; Y522-A526 HydrophobicContact CE1-CB 4.2Å; Y522-A526 HydrophobicContact CE2-CB 4.5Å; Y522-A526 PolarHBondContact O-N 3.2Å; C523-A526 CarbonylContact O-C 3.16Å; C523-A526 PolarHBondContact O-N 3.36Å; A526-A528 PolarHBondContact O-N 3.28Å; A526-A528 VanDerWaalsContact O-N 3.11Å; A526-S529 WeakPolarHBondContact O-CB 3.5Å; A526-S529 PolarHBondContact O-N 3.41Å
527	P	77.9	Confident	76.2	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-16.4	-168.8	26.2	-35.4	0	0	0	114.6	Y494 C523 P547 V548 F549	Y494-P527 HydrophobicContact CE1-CB 4.39Å; C523-P527 WeakPolarHBondContact O-CA 3.34Å; C523-P527 WeakPolarHBondContact O-CB 3.48Å; C523-P527 WeakPolarHBondContact O-CD 3.35Å; P527-P547 HydrophobicContact CB-CB 4.47Å; P527-V548 VanDerWaalsContact CB-O 3.24Å; P527-V548 WeakPolarHBondContact CB-O 3.26Å; P527-F549 HydrophobicContact CG-CD1 3.96Å; P527-F549 HydrophobicContact CG-CE1 4.27Å
528	A	74.2	Confident	75.9	Confident	32 Å²	32	26.1 Å²	26.1	26%	0.264	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	4.7	177.1	0	0	0	0	0	113.4	A526 P547	A526-A528 PolarHBondContact O-N 3.28Å; A526-A528 VanDerWaalsContact O-N 3.11Å; A528-P547 HydrophobicContact CB-CB 4.19Å
529	S	71.7	Confident	76	Confident	19 Å²	19	27.3 Å²	27.3	13%	0.133	15%	0.153	C	C	.	.			trans	-71.6	134	-179.3	-168.6	0	0	0	0	111.9	Y522 A526 N531 C540	Y522-S529 PolarHBondContact OH-OG 3.2Å; A526-S529 WeakPolarHBondContact O-CB 3.5Å; A526-S529 PolarHBondContact O-N 3.41Å; S529-N531 PolarHBondContact OG-N 3.09Å; S529-N531 PolarHBondContact OG-O 3.13Å; S529-C540 WeakPolarHBondContact O-CB 3.48Å; S529-C540 PolarHBondContact O-N 2.88Å
530	L	71.2	Confident	76	Confident	57 Å²	57	27.2 Å²	27.2	30%	0.298	15%	0.153	S	C	.	.	S	Bend	trans	-88.6	-12.1	177.4	-76.5	161.7	0	0	0	113	P539 L541 N1013 P1014	L530-P539 WeakPolarHBondContact O-CB 3.49Å; L530-L541 HydrophobicContact CD2-CD1 3.28Å; L530-L541 HydrophobicContact CD2-CG 4.03Å; L530-L541 HydrophobicContact CG-CD1 4.03Å; L530-N1013 VanDerWaalsContact CD1-C 3.46Å; L530-N1013 WeakPolarHBondContact CD1-O 3.47Å; L530-P1014 HydrophobicContact CD1-CB 4.4Å; L530-P1014 HydrophobicContact CD1-CG 4.26Å
531	N	70.3	Confident	75.7	Confident	75 Å²	75	28.2 Å²	28.2	40%	0.401	16%	0.158	S	C	.	.	S	Bend	trans	-154.6	119	179	-172.2	6.7	0	0	0	109	Y522 S529 H537	Y522-N531 PolarHBondContact OH-O 2.84Å; S529-N531 PolarHBondContact OG-N 3.09Å; S529-N531 PolarHBondContact OG-O 3.13Å; N531-H537 WeakPolarHBondContact OD1-CA 3.33Å; N531-H537 VanDerWaalsContact OD1-CB 3.29Å; N531-H537 WeakPolarHBondContact OD1-CB 3.45Å; N531-H537 PolarHBondContact OD1-O 2.86Å; N531-H537 VanDerWaalsContact OD1-O 3.06Å
532	D	67.9	Low	75.9	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.15	C	C	.	.			trans	-65.3	145.4	173.1	-172.7	2.2	0	0	0	110.6	H519 Y522 T534 H537 D538	H519-D532 IonicContact CE1-OD2 3.27Å; H519-D532 IonicContact CG-OD2 3.89Å; H519-D532 IonicContact ND1-OD2 3.36Å; H519-D532 PolarHBondContact ND1-OD2 3.3Å; Y522-D532 HydrophobicContact CD1-CB 3.84Å; Y522-D532 WeakPolarHBondContact CD1-OD1 3.45Å; Y522-D532 VanDerWaalsContact CD2-OD1 3.29Å; Y522-D532 WeakPolarHBondContact CD2-OD1 3.4Å; Y522-D532 HydrophobicContact CE1-CB 3.94Å; D532-T534 WeakPolarHBondContact OD1-CG2 3.14Å; D532-T534 PolarHBondContact OD1-N 2.97Å; D532-T534 PolarHBondContact OD1-OG1 2.86Å; D532-T534 WeakPolarHBondContact OD2-CB 3.17Å; D532-T534 VanDerWaalsContact OD2-CG2 3.31Å; D532-T534 WeakPolarHBondContact OD2-CG2 3.47Å; D532-T534 PolarHBondContact OD2-OG1 3.24Å; D532-H537 WeakPolarHBondContact O-CA 3.48Å; D532-H537 PolarHBondContact O-ND1 2.97Å; D532-D538 WeakPolarHBondContact CB-O 3.29Å; D532-D538 PolarHBondContact N-O 3.34Å
533	T	63.4	Low	76.4	Confident	29 Å²	29	27.3 Å²	27.3	18%	0.178	16%	0.157	C	C	.	.	S	Bend	trans	-97.6	-3.7	-179.5	66.4	0	0	0	0	112.3	Y196 Y522	Y196-T533 WeakPolarHBondContact OH-CB 3.21Å; Y196-T533 WeakPolarHBondContact OH-CG2 3.41Å; Y196-T533 PolarHBondContact OH-OG1 2.76Å; Y196-T533 VanDerWaalsContact OH-OG1 3.14Å; Y522-T533 HydrophobicContact CE2-CG2 4.1Å; Y522-T533 WeakPolarHBondContact CE2-OG1 3.22Å
534	T	67.4	Low	76.7	Confident	30 Å²	30	27.9 Å²	27.9	18%	0.184	16%	0.16	C	C	.	.	S	Bend	trans	-62.6	167.3	158.7	72.6	0	0	0	0	110.1	D532 L536 H537	D532-T534 WeakPolarHBondContact OD1-CG2 3.14Å; D532-T534 PolarHBondContact OD1-N 2.97Å; D532-T534 PolarHBondContact OD1-OG1 2.86Å; D532-T534 WeakPolarHBondContact OD2-CB 3.17Å; D532-T534 VanDerWaalsContact OD2-CG2 3.31Å; D532-T534 WeakPolarHBondContact OD2-CG2 3.47Å; D532-T534 PolarHBondContact OD2-OG1 3.24Å; T534-L536 PolarHBondContact O-N 3.19Å; T534-L536 PolarHBondContact OG1-N 2.86Å; T534-H537 PolarHBondContact O-N 2.93Å
535	L	68.9	Low	76.5	Confident	69 Å²	69	28.1 Å²	28.1	36%	0.361	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-13.4	178.5	-67.8	165.8	0	0	0	113.7	F431 I506 Y513 A514	F431-L535 HydrophobicContact CE2-CD1 4.02Å; F431-L535 HydrophobicContact CZ-CD1 4.42Å; I506-L535 HydrophobicContact CD1-CB 4.23Å; I506-L535 WeakPolarHBondContact CD1-O 3.19Å; Y513-L535 HydrophobicContact CG-CD1 4.49Å; A514-L535 HydrophobicContact CB-CB 4.09Å
536	L	77	Confident	77	Confident	11 Å²	11	27.3 Å²	27.3	6%	0.058	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-33.8	-177	-65.2	167.4	0	0	0	113.4	H504 I506 A514 D515 H519 T534 D538	H504-L536 HydrophobicContact CB-CD2 4.44Å; I506-L536 HydrophobicContact CD1-CD2 3.86Å; I506-L536 HydrophobicContact CD1-CG 4.49Å; I506-L536 HydrophobicContact CG1-CD2 3.89Å; A514-L536 HydrophobicContact CB-CD1 4.26Å; A514-L536 HydrophobicContact CB-CD2 4.49Å; A514-L536 HydrophobicContact CB-CG 3.94Å; D515-L536 WeakPolarHBondContact O-CD1 3.34Å; H519-L536 HydrophobicContact CB-CD1 3.97Å; T534-L536 PolarHBondContact O-N 3.19Å; T534-L536 PolarHBondContact OG1-N 2.86Å; L536-D538 PolarHBondContact O-N 3.13Å
537	H	77.3	Confident	77.7	Confident	89 Å²	89	29.2 Å²	29.2	41%	0.412	17%	0.172	S	C	.	.			trans	55.2	33.2	-176.1	-62.5	-50.9	0	0	0	115.4	N531 D532 T534	N531-H537 WeakPolarHBondContact OD1-CA 3.33Å; N531-H537 VanDerWaalsContact OD1-CB 3.29Å; N531-H537 WeakPolarHBondContact OD1-CB 3.45Å; N531-H537 PolarHBondContact OD1-O 2.86Å; N531-H537 VanDerWaalsContact OD1-O 3.06Å; D532-H537 WeakPolarHBondContact O-CA 3.48Å; D532-H537 PolarHBondContact O-ND1 2.97Å; T534-H537 PolarHBondContact O-N 2.93Å
538	D	81.9	Confident	78.2	Confident	24 Å²	24	29.2 Å²	29.2	13%	0.128	17%	0.172	C	C	.	.			trans	-86.7	147.3	177.3	-71.2	-40.2	0	0	0	111.6	V501 H504 H519 D532 L536	V501-D538 HydrophobicContact CG1-CB 4.48Å; H504-D538 IonicContact CE1-OD2 2.64Å; H504-D538 IonicContact CG-OD2 3.64Å; H504-D538 IonicContact ND1-OD1 2.81Å; H504-D538 IonicContact ND1-OD2 3.73Å; H504-D538 PolarHBondContact ND1-OD2 2.91Å; H519-D538 PolarHBondContact CE1-O 3.44Å; D532-D538 WeakPolarHBondContact CB-O 3.29Å; D532-D538 PolarHBondContact N-O 3.34Å; L536-D538 PolarHBondContact O-N 3.13Å
539	P	83.6	Confident	78.8	Confident	41 Å²	41	29 Å²	29	27%	0.266	17%	0.165	S	C	.	.			trans	-77.8	149.2	178.5	29.7	-31.5	0	0	0	112.3	Q496 L530	Q496-P539 HydrophobicContact CG-CG 4.4Å; Q496-P539 PolarHBondContact NE2-O 3.38Å; L530-P539 WeakPolarHBondContact O-CB 3.49Å
540	C	83.4	Confident	79.6	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.			trans	-94.1	-9.2	174.1	-64.8	0	0	0	0	113.9	Y522 C523 S529	Y522-C540 VanDerWaalsContact CD1-SG 3.56Å; C523-C540 WeakPolarHBondContact CA-SG 3.2Å; C523-C540 HydrophobicContact CB-CB 3.72Å; C523-C540 WeakPolarHBondContact CB-SG 3.26Å; C523-C540 VanDerWaalsContact SG-CA 3.55Å; C523-C540 WeakPolarHBondContact SG-CB 3.48Å; C523-C540 CovalentContact SG-SG 2.05Å; C523-C540 PolarHBondContact SG-SG 3.24Å; S529-C540 WeakPolarHBondContact O-CB 3.48Å; S529-C540 PolarHBondContact O-N 2.88Å
541	L	83.8	Confident	80.4	Confident	24 Å²	24	26.1 Å²	26.1	13%	0.126	15%	0.147	C	C	.	.	S	Bend	trans	-70.1	144.8	177.6	-65.7	-170.6	0	0	0	111.3	Q496 L530 P547	Q496-L541 PolarHBondContact NE2-O 3.39Å; L530-L541 HydrophobicContact CD2-CD1 3.28Å; L530-L541 HydrophobicContact CD2-CG 4.03Å; L530-L541 HydrophobicContact CG-CD1 4.03Å; L541-P547 HydrophobicContact CD2-CB 4.22Å
542	G	86.6	Confident	81.4	Confident	5 Å²	5	23.9 Å²	23.9	5%	0.052	14%	0.135	C	C	.	.			trans	-68.5	166	173.2	0	0	0	0	0	112.6	N493 F544 G545 G546	N493-G542 WeakPolarHBondContact OD1-CA 3.07Å; G542-F544 PolarHBondContact O-N 2.7Å; G542-F544 VanDerWaalsContact O-N 3.09Å; G542-G545 PolarHBondContact O-N 2.83Å; G542-G546 PolarHBondContact N-O 2.92Å
543	T	90.2	Very high	82.6	Confident	34 Å²	34	23.9 Å²	23.9	21%	0.209	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-22.7	-178.3	57.3	0	0	0	0	113.8	N483 N485 N493 Q496 N497 G545	N483-T543 PolarHBondContact ND2-O 3.07Å; N485-T543 PolarHBondContact ND2-O 3.11Å; N493-T543 PolarHBondContact OD1-N 2.82Å; N493-T543 PolarHBondContact OD1-OG1 3.38Å; Q496-T543 HydrophobicContact CB-CG2 4.08Å; Q496-T543 VanDerWaalsContact O-CG2 3.31Å; Q496-T543 WeakPolarHBondContact O-CG2 3.28Å; N497-T543 HydrophobicContact CB-CG2 4.37Å; T543-G545 VanDerWaalsContact C-N 3.34Å
544	F	88.4	Confident	84.1	Confident	12 Å²	12	22.6 Å²	22.6	5%	0.053	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-7.6	175.1	67.3	-85.4	0	0	0	113.7	P478 L479 N483 T487 L489 G542 G546 V548	P478-F544 HydrophobicContact CG-CD2 4.01Å; L479-F544 VanDerWaalsContact CD1-O 3.3Å; L479-F544 WeakPolarHBondContact CD1-O 3.48Å; N483-F544 PolarHBondContact ND2-O 2.84Å; T487-F544 HydrophobicContact CG2-CD1 4.48Å; T487-F544 HydrophobicContact CG2-CD2 4.26Å; T487-F544 HydrophobicContact CG2-CE1 4.28Å; T487-F544 HydrophobicContact CG2-CE2 4.03Å; T487-F544 HydrophobicContact CG2-CG 4.48Å; T487-F544 HydrophobicContact CG2-CZ 4.06Å; L489-F544 HydrophobicContact CD2-CZ 4.21Å; G542-F544 PolarHBondContact O-N 2.7Å; G542-F544 VanDerWaalsContact O-N 3.09Å; F544-G546 VanDerWaalsContact CE2-CA 3.42Å; F544-V548 HydrophobicContact CE1-CG2 4.08Å; F544-V548 HydrophobicContact CZ-CG2 4.33Å
545	G	79.7	Confident	85.3	Confident	17 Å²	17	21.1 Å²	21.1	18%	0.175	12%	0.119	C	C	.	.	S	Bend	trans	87.6	16.1	175.5	0	0	0	0	0	115.7	G542 T543	G542-G545 PolarHBondContact O-N 2.83Å; T543-G545 VanDerWaalsContact C-N 3.34Å
546	G	81.9	Confident	86.3	Confident	5 Å²	5	18.8 Å²	18.8	5%	0.052	11%	0.111	C	C	.	.	S	Bend	trans	-117.9	163.6	171.2	0	0	0	0	0	112.9	G542 F544	G542-G546 PolarHBondContact N-O 2.92Å; F544-G546 VanDerWaalsContact CE2-CA 3.42Å
547	P	84.3	Confident	87	Confident	40 Å²	40	18.7 Å²	18.7	26%	0.26	11%	0.11	S	C	.	.			trans	-72.7	145	177.7	30.4	-34.2	0	0	0	110.9	P527 A528 L541 F549	P527-P547 HydrophobicContact CB-CB 4.47Å; A528-P547 HydrophobicContact CB-CB 4.19Å; L541-P547 HydrophobicContact CD2-CB 4.22Å; P547-F549 HydrophobicContact CB-CE1 4.37Å; P547-F549 HydrophobicContact CB-CZ 4.43Å; P547-F549 HydrophobicContact CG-CE1 4.33Å; P547-F549 HydrophobicContact CG-CE2 4.43Å; P547-F549 HydrophobicContact CG-CZ 3.92Å
548	V	88.4	Confident	87.3	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.118	C	C	.	.			trans	-104	114.4	168.8	179.5	0	0	0	0	107.8	N493 Y494 P527 F544 A553	N493-V548 HydrophobicContact CB-CG2 3.78Å; Y494-V548 HydrophobicContact CE1-CB 4.04Å; Y494-V548 VanDerWaalsContact CE1-O 3.3Å; Y494-V548 WeakPolarHBondContact CE1-O 3.43Å; Y494-V548 PolarHBondContact OH-O 3.3Å; P527-V548 VanDerWaalsContact CB-O 3.24Å; P527-V548 WeakPolarHBondContact CB-O 3.26Å; F544-V548 HydrophobicContact CE1-CG2 4.08Å; F544-V548 HydrophobicContact CZ-CG2 4.33Å; V548-A553 HydrophobicContact CG1-CB 3.89Å
549	F	87.5	Confident	87.2	Confident	27 Å²	27	26.7 Å²	26.7	12%	0.118	15%	0.15	C	C	.	.			trans	-77.8	138.8	179.2	-61.4	-62.4	0	0	0	111.3	S172 P527 P547 W551 L552 A553	S172-F549 WeakPolarHBondContact O-CE1 3.45Å; P527-F549 HydrophobicContact CG-CD1 3.96Å; P527-F549 HydrophobicContact CG-CE1 4.27Å; P547-F549 HydrophobicContact CB-CE1 4.37Å; P547-F549 HydrophobicContact CB-CZ 4.43Å; P547-F549 HydrophobicContact CG-CE1 4.33Å; P547-F549 HydrophobicContact CG-CE2 4.43Å; P547-F549 HydrophobicContact CG-CZ 3.92Å; F549-W551 VanDerWaalsContact C-N 3.3Å; F549-W551 HydrophobicContact CB-CD2 3.83Å; F549-W551 VanDerWaalsContact CB-CE2 3.43Å; F549-W551 HydrophobicContact CB-CE3 4.2Å; F549-W551 HydrophobicContact CB-CG 4.44Å; F549-W551 HydrophobicContact CB-CH2 3.87Å; F549-W551 HydrophobicContact CB-CZ2 3.46Å; F549-W551 VanDerWaalsContact CB-CZ2 3.46Å; F549-W551 HydrophobicContact CB-CZ3 4.22Å; F549-W551 AromaticContact CD1-CH2 3.46Å; F549-W551 HydrophobicContact CD1-CH2 3.46Å; F549-W551 VanDerWaalsContact CD1-CH2 3.46Å; F549-W551 AromaticContact CD1-CZ2 3.56Å; F549-W551 HydrophobicContact CD1-CZ2 3.56Å; F549-W551 HydrophobicContact CD1-CZ3 4.26Å; F549-W551 AromaticContact CD2-CZ2 3.95Å; F549-W551 HydrophobicContact CD2-CZ2 3.95Å; F549-W551 HydrophobicContact CE1-CH2 4.21Å; F549-W551 HydrophobicContact CE1-CZ2 4.31Å; F549-W551 AromaticContact CG-CE2 3.85Å; F549-W551 AromaticContact CG-CH2 3.76Å; F549-W551 HydrophobicContact CG-CH2 3.76Å; F549-W551 AromaticContact CG-CZ2 3.36Å; F549-W551 HydrophobicContact CG-CZ2 3.36Å; F549-W551 PolarHBondContact O-N 2.84Å; F549-L552 HydrophobicContact CB-CD1 4.15Å; F549-L552 HydrophobicContact CB-CG 4.26Å; F549-L552 HydrophobicContact CD2-CD1 3.99Å; F549-L552 PolarHBondContact O-N 2.92Å; F549-A553 PolarHBondContact O-N 3.03Å
550	P	89.2	Confident	86.8	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.3	-34.8	-174.3	25.2	-35.3	0	0	0	112.7	V524 L552 A553 L554 Y562	V524-P550 HydrophobicContact CB-CB 4.15Å; V524-P550 HydrophobicContact CG1-CB 4.15Å; P550-L552 PolarHBondContact O-N 3.46Å; P550-A553 PolarHBondContact O-N 3.07Å; P550-A553 VanDerWaalsContact O-N 3.17Å; P550-L554 HydrophobicContact CB-CD1 4.36Å; P550-L554 WeakPolarHBondContact O-CB 3.48Å; P550-L554 PolarHBondContact O-N 3.09Å; P550-Y562 HydrophobicContact CB-CD1 3.76Å; P550-Y562 HydrophobicContact CB-CD2 4.13Å; P550-Y562 HydrophobicContact CB-CE1 3.67Å; P550-Y562 HydrophobicContact CB-CE2 4.05Å; P550-Y562 HydrophobicContact CB-CG 3.99Å; P550-Y562 HydrophobicContact CG-CD1 4.38Å; P550-Y562 HydrophobicContact CG-CD2 4.26Å; P550-Y562 HydrophobicContact CG-CE1 3.85Å; P550-Y562 HydrophobicContact CG-CE2 3.72Å; P550-Y562 VanDerWaalsContact CG-CZ 3.5Å
551	W	88.1	Confident	86.8	Confident	16 Å²	16	31 Å²	31	6%	0.061	17%	0.174	C	C	.	.	H	α-helix	trans	-70.8	-8.1	177.3	60.1	81.6	0	0	0	114.7	N173 F549 Y557 T890 Y942	N173-W551 HydrophobicContact CB-CH2 4.34Å; F549-W551 VanDerWaalsContact C-N 3.3Å; F549-W551 HydrophobicContact CB-CD2 3.83Å; F549-W551 VanDerWaalsContact CB-CE2 3.43Å; F549-W551 HydrophobicContact CB-CE3 4.2Å; F549-W551 HydrophobicContact CB-CG 4.44Å; F549-W551 HydrophobicContact CB-CH2 3.87Å; F549-W551 HydrophobicContact CB-CZ2 3.46Å; F549-W551 VanDerWaalsContact CB-CZ2 3.46Å; F549-W551 HydrophobicContact CB-CZ3 4.22Å; F549-W551 AromaticContact CD1-CH2 3.46Å; F549-W551 HydrophobicContact CD1-CH2 3.46Å; F549-W551 VanDerWaalsContact CD1-CH2 3.46Å; F549-W551 AromaticContact CD1-CZ2 3.56Å; F549-W551 HydrophobicContact CD1-CZ2 3.56Å; F549-W551 HydrophobicContact CD1-CZ3 4.26Å; F549-W551 AromaticContact CD2-CZ2 3.95Å; F549-W551 HydrophobicContact CD2-CZ2 3.95Å; F549-W551 HydrophobicContact CE1-CH2 4.21Å; F549-W551 HydrophobicContact CE1-CZ2 4.31Å; F549-W551 AromaticContact CG-CE2 3.85Å; F549-W551 AromaticContact CG-CH2 3.76Å; F549-W551 HydrophobicContact CG-CH2 3.76Å; F549-W551 AromaticContact CG-CZ2 3.36Å; F549-W551 HydrophobicContact CG-CZ2 3.36Å; F549-W551 PolarHBondContact O-N 2.84Å; W551-Y557 WeakPolarHBondContact CA-OH 3.25Å; W551-Y557 WeakPolarHBondContact CB-OH 3.31Å; W551-T890 VanDerWaalsContact CD1-OG1 3.31Å; W551-T890 PolarHBondContact O-OG1 2.94Å; W551-Y942 WeakPolarHBondContact CB-OH 3.25Å; W551-Y942 AromaticContact CD1-CE2 3.85Å; W551-Y942 AromaticContact CD1-CZ 3.91Å; W551-Y942 HydrophobicContact CD2-CE1 4.1Å; W551-Y942 AromaticContact CD2-CZ 3.94Å; W551-Y942 HydrophobicContact CE3-CE1 4.33Å; W551-Y942 HydrophobicContact CG-CE1 4.4Å; W551-Y942 HydrophobicContact CG-CE2 4.17Å; W551-Y942 AromaticContact CG-CZ 3.76Å; W551-Y942 AromaticContact NE1-CE2 4Å
552	L	90.7	Very high	87	Confident	28 Å²	28	31.4 Å²	31.4	15%	0.147	17%	0.173	C	C	.	.	H	α-helix	trans	-98.3	-21.9	172.1	-62.4	176.7	0	0	0	112.6	L489 F549 P550 Y1045	L489-L552 HydrophobicContact CD1-CD1 4.36Å; F549-L552 HydrophobicContact CB-CD1 4.15Å; F549-L552 HydrophobicContact CB-CG 4.26Å; F549-L552 HydrophobicContact CD2-CD1 3.99Å; F549-L552 PolarHBondContact O-N 2.92Å; P550-L552 PolarHBondContact O-N 3.46Å; L552-Y1045 HydrophobicContact CD2-CD1 4.46Å; L552-Y1045 HydrophobicContact CD2-CE1 3.85Å
553	A	93.6	Very high	87	Confident	1 Å²	1	32 Å²	32	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-107.8	-17.5	-174.4	0	0	0	0	0	113.8	V548 F549 P550 V569	V548-A553 HydrophobicContact CG1-CB 3.89Å; F549-A553 PolarHBondContact O-N 3.03Å; P550-A553 PolarHBondContact O-N 3.07Å; P550-A553 VanDerWaalsContact O-N 3.17Å; A553-V569 PolarHBondContact O-N 3.28Å
554	L	94.3	Very high	87	Confident	1 Å²	1	32 Å²	32	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	152.7	-176.6	-58.6	173.5	0	0	0	110.7	L442 V491 F520 V524 P550 Y557 Y562 A565 L568	L442-L554 HydrophobicContact CD2-CD2 4.23Å; V491-L554 HydrophobicContact CB-CD2 4.28Å; V491-L554 HydrophobicContact CG2-CD2 4.27Å; F520-L554 HydrophobicContact CE2-CD1 4.03Å; F520-L554 HydrophobicContact CZ-CD1 3.78Å; V524-L554 HydrophobicContact CG1-CD1 4.31Å; P550-L554 HydrophobicContact CB-CD1 4.36Å; P550-L554 WeakPolarHBondContact O-CB 3.48Å; P550-L554 PolarHBondContact O-N 3.09Å; L554-Y557 HydrophobicContact CB-CD1 4.19Å; L554-Y557 HydrophobicContact CB-CE1 4.15Å; L554-Y562 HydrophobicContact CD1-CD1 4.22Å; L554-Y562 HydrophobicContact CD1-CG 4.3Å; L554-A565 HydrophobicContact CB-CB 4.08Å; L554-A565 HydrophobicContact CD2-CB 4.21Å; L554-L568 HydrophobicContact CD2-CD2 3.37Å
555	G	92.8	Very high	87.3	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	160.7	177.2	0	0	0	0	0	113.5	A565 T566 A567 Y887	G555-A565 WeakPolarHBondContact O-CA 3.45Å; G555-T566 PolarHBondContact O-N 3.15Å; G555-A567 PolarHBondContact N-O 3.33Å; G555-A567 PolarHBondContact O-N 3.21Å; G555-A567 VanDerWaalsContact O-N 3.09Å; G555-Y887 CarbonylContact C-O 3.57Å; G555-Y887 WeakPolarHBondContact CA-O 3.42Å
556	G	90.5	Very high	87.9	Confident	20 Å²	20	33.3 Å²	33.3	21%	0.206	18%	0.18	C	C	.	.	S	Bend	trans	61	45.5	175.8	0	0	0	0	0	114.5	T566 Y887 H889	G556-T566 VanDerWaalsContact CA-OG1 3.31Å; G556-T566 WeakPolarHBondContact CA-OG1 3.39Å; G556-T566 PolarHBondContact O-N 3.36Å; G556-T566 PolarHBondContact O-OG1 3Å; G556-Y887 PolarHBondContact N-O 3.38Å; G556-H889 PolarHBondContact N-CE1 3.43Å
557	Y	90.7	Very high	88.6	Confident	8 Å²	8	33 Å²	33	3%	0.031	18%	0.177	C	C	.	.			trans	-111	165.5	173.2	54.7	-97.4	0	0	0	110.9	W551 L554 E559 N561 Y562 A565 H889	W551-Y557 WeakPolarHBondContact CA-OH 3.25Å; W551-Y557 WeakPolarHBondContact CB-OH 3.31Å; L554-Y557 HydrophobicContact CB-CD1 4.19Å; L554-Y557 HydrophobicContact CB-CE1 4.15Å; Y557-E559 WeakPolarHBondContact CE2-O 3.36Å; Y557-N561 WeakPolarHBondContact CB-O 3.49Å; Y557-Y562 HydrophobicContact CD1-CD1 4.05Å; Y557-Y562 HydrophobicContact CD2-CD1 4.05Å; Y557-Y562 HydrophobicContact CD2-CE1 4.16Å; Y557-Y562 AromaticContact CE1-CD1 3.88Å; Y557-Y562 HydrophobicContact CE1-CD1 3.88Å; Y557-Y562 AromaticContact CE1-CE1 3.97Å; Y557-Y562 HydrophobicContact CE1-CE1 3.97Å; Y557-Y562 AromaticContact CE2-CD1 3.9Å; Y557-Y562 HydrophobicContact CE2-CD1 3.9Å; Y557-Y562 AromaticContact CE2-CE1 3.57Å; Y557-Y562 HydrophobicContact CE2-CE1 3.57Å; Y557-Y562 HydrophobicContact CG-CD1 4.14Å; Y557-Y562 AromaticContact CZ-CD1 3.82Å; Y557-Y562 AromaticContact CZ-CE1 3.47Å; Y557-Y562 VanDerWaalsContact CZ-CE1 3.47Å; Y557-A565 HydrophobicContact CD1-CB 4.47Å; Y557-H889 AromaticContact CE1-ND1 3.91Å; Y557-H889 AromaticContact CE2-CD2 3.75Å; Y557-H889 AromaticContact CZ-CD2 3.87Å; Y557-H889 AromaticContact CZ-CG 3.66Å; Y557-H889 AromaticContact CZ-ND1 3.97Å; Y557-H889 PolarHBondContact N-CE1 3.49Å; Y557-H889 PolarHBondContact O-CE1 3.45Å; Y557-H889 PolarHBondContact O-NE2 3.14Å
558	D	84.2	Confident	89.2	Confident	109 Å²	109	31.2 Å²	31.2	58%	0.583	17%	0.165	S	C	*	.	B	Isolated β-bridge	trans	-97.5	118.3	178.5	-59.2	-47.3	0	0	0	110.7	T560 N561	D558-T560 PolarHBondContact O-N 3.5Å; D558-N561 PolarHBondContact O-N 2.96Å
559	E	78.8	Confident	89.5	Confident	172 Å²	172	31.3 Å²	31.3	80%	0.804	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	-94.5	177	-60.7	-177.7	172.3	0	0	114	Y557	Y557-E559 WeakPolarHBondContact CE2-O 3.36Å
560	T	75.1	Confident	90	Very high	58 Å²	58	30 Å²	30	36%	0.356	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	3	-178.8	53.3	0	0	0	0	113.3	Q186 D558 Y562	Q186-T560 PolarHBondContact NE2-OG1 3.25Å; D558-T560 PolarHBondContact O-N 3.5Å; T560-Y562 VanDerWaalsContact C-N 3.34Å; T560-Y562 VanDerWaalsContact O-CD2 3.22Å; T560-Y562 WeakPolarHBondContact O-CD2 3.28Å; T560-Y562 PolarHBondContact O-N 3.31Å
561	N	83.3	Confident	90.3	Very high	75 Å²	75	30.5 Å²	30.5	40%	0.401	16%	0.163	S	C	.	.	B	Isolated β-bridge	trans	-84	72.8	-178.5	-64.5	-52.4	0	0	0	111.7	Y557 D558 N563 N564	Y557-N561 WeakPolarHBondContact CB-O 3.49Å; D558-N561 PolarHBondContact O-N 2.96Å; N561-N563 PolarHBondContact O-N 3.49Å; N561-N563 VanDerWaalsContact O-N 3.15Å; N561-N564 PolarHBondContact O-N 3.01Å
562	Y	88.8	Confident	90.7	Very high	31 Å²	31	29.9 Å²	29.9	12%	0.122	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-60.7	-23.5	-177.5	-60.7	-64.7	0	0	0	114.3	V524 P550 L554 Y557 T560 N564 A565	V524-Y562 HydrophobicContact CB-CD2 3.81Å; V524-Y562 HydrophobicContact CB-CG 4.26Å; V524-Y562 HydrophobicContact CG2-CD2 4.01Å; P550-Y562 HydrophobicContact CB-CD1 3.76Å; P550-Y562 HydrophobicContact CB-CD2 4.13Å; P550-Y562 HydrophobicContact CB-CE1 3.67Å; P550-Y562 HydrophobicContact CB-CE2 4.05Å; P550-Y562 HydrophobicContact CB-CG 3.99Å; P550-Y562 HydrophobicContact CG-CD1 4.38Å; P550-Y562 HydrophobicContact CG-CD2 4.26Å; P550-Y562 HydrophobicContact CG-CE1 3.85Å; P550-Y562 HydrophobicContact CG-CE2 3.72Å; P550-Y562 VanDerWaalsContact CG-CZ 3.5Å; L554-Y562 HydrophobicContact CD1-CD1 4.22Å; L554-Y562 HydrophobicContact CD1-CG 4.3Å; Y557-Y562 HydrophobicContact CD1-CD1 4.05Å; Y557-Y562 HydrophobicContact CD2-CD1 4.05Å; Y557-Y562 HydrophobicContact CD2-CE1 4.16Å; Y557-Y562 AromaticContact CE1-CD1 3.88Å; Y557-Y562 HydrophobicContact CE1-CD1 3.88Å; Y557-Y562 AromaticContact CE1-CE1 3.97Å; Y557-Y562 HydrophobicContact CE1-CE1 3.97Å; Y557-Y562 AromaticContact CE2-CD1 3.9Å; Y557-Y562 HydrophobicContact CE2-CD1 3.9Å; Y557-Y562 AromaticContact CE2-CE1 3.57Å; Y557-Y562 HydrophobicContact CE2-CE1 3.57Å; Y557-Y562 HydrophobicContact CG-CD1 4.14Å; Y557-Y562 AromaticContact CZ-CD1 3.82Å; Y557-Y562 AromaticContact CZ-CE1 3.47Å; Y557-Y562 VanDerWaalsContact CZ-CE1 3.47Å; T560-Y562 VanDerWaalsContact C-N 3.34Å; T560-Y562 VanDerWaalsContact O-CD2 3.22Å; T560-Y562 WeakPolarHBondContact O-CD2 3.28Å; T560-Y562 PolarHBondContact O-N 3.31Å; Y562-N564 PolarHBondContact O-N 3.34Å; Y562-A565 VanDerWaalsContact O-CB 3.23Å; Y562-A565 WeakPolarHBondContact O-CB 3.19Å; Y562-A565 PolarHBondContact O-N 3.01Å; Y562-A565 VanDerWaalsContact O-N 3.12Å
563	N	86.4	Confident	90.9	Very high	17 Å²	17	28.8 Å²	28.8	9%	0.091	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-63	-21.6	173.1	57.7	-69.5	0	0	0	113.6	V436 P437 F438 K439 L521 N561 A565	V436-N563 HydrophobicContact CG1-CB 4.01Å; P437-N563 WeakPolarHBondContact O-CB 3.47Å; P437-N563 PolarHBondContact O-ND2 3.48Å; F438-N563 HydrophobicContact CD2-CB 4.47Å; F438-N563 HydrophobicContact CE1-CB 4.32Å; F438-N563 HydrophobicContact CE2-CB 4.26Å; F438-N563 HydrophobicContact CZ-CB 4.19Å; K439-N563 PolarHBondContact N-O 3.02Å; L521-N563 HydrophobicContact CD2-CB 4.28Å; N561-N563 PolarHBondContact O-N 3.49Å; N561-N563 VanDerWaalsContact O-N 3.15Å; N563-A565 VanDerWaalsContact C-N 3.33Å
564	N	91.3	Very high	91	Very high	36 Å²	36	28.8 Å²	28.8	19%	0.193	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-89.9	8.2	175	-73.8	-13	0	0	0	113.5	N561 Y562 T566	N561-N564 PolarHBondContact O-N 3.01Å; Y562-N564 PolarHBondContact O-N 3.34Å; N564-T566 PolarHBondContact O-N 3.14Å
565	A	93.3	Very high	90.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.			trans	-54.5	138	179.7	0	0	0	0	0	111.8	K439 I441 L554 G555 Y557 Y562 N563	K439-A565 VanDerWaalsContact CB-O 3.31Å; K439-A565 WeakPolarHBondContact CB-O 3.41Å; I441-A565 WeakPolarHBondContact CG2-O 3.4Å; L554-A565 HydrophobicContact CB-CB 4.08Å; L554-A565 HydrophobicContact CD2-CB 4.21Å; G555-A565 WeakPolarHBondContact O-CA 3.45Å; Y557-A565 HydrophobicContact CD1-CB 4.47Å; Y562-A565 VanDerWaalsContact O-CB 3.23Å; Y562-A565 WeakPolarHBondContact O-CB 3.19Å; Y562-A565 PolarHBondContact O-N 3.01Å; Y562-A565 VanDerWaalsContact O-N 3.12Å; N563-A565 VanDerWaalsContact C-N 3.33Å
566	T	93.7	Very high	90.9	Very high	55 Å²	55	33 Å²	33	34%	0.337	18%	0.178	S	C	.	.			trans	-107.6	-13.1	179.7	49.1	0	0	0	0	112.6	G555 G556 N564	G555-T566 PolarHBondContact O-N 3.15Å; G556-T566 VanDerWaalsContact CA-OG1 3.31Å; G556-T566 WeakPolarHBondContact CA-OG1 3.39Å; G556-T566 PolarHBondContact O-N 3.36Å; G556-T566 PolarHBondContact O-OG1 3Å; N564-T566 PolarHBondContact O-N 3.14Å
567	A	95.5	Very high	90.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	147.1	176.1	0	0	0	0	0	111.8	I416 I417 T418 G555 Y887	I416-A567 HydrophobicContact CG2-CB 4.09Å; I417-A567 CarbonylContact O-C 3.54Å; I417-A567 VanDerWaalsContact O-CA 3.32Å; I417-A567 WeakPolarHBondContact O-CA 3.29Å; T418-A567 HydrophobicContact CG2-CB 3.71Å; G555-A567 PolarHBondContact N-O 3.33Å; G555-A567 PolarHBondContact O-N 3.21Å; G555-A567 VanDerWaalsContact O-N 3.09Å; A567-Y887 HydrophobicContact CB-CD1 4.09Å; A567-Y887 HydrophobicContact CB-CD2 4.16Å; A567-Y887 HydrophobicContact CB-CG 3.74Å
568	L	96.5	Very high	90.3	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	138.8	166	-59.6	177.7	0	0	0	109.3	I416 I417 I441 L442 L447 V450 V491 L554	I416-L568 WeakPolarHBondContact CA-O 3.41Å; I417-L568 HydrophobicContact CB-CB 4.42Å; I417-L568 PolarHBondContact N-O 3.17Å; I417-L568 PolarHBondContact O-N 3.4Å; I441-L568 HydrophobicContact CD1-CG 4.46Å; I441-L568 HydrophobicContact CG1-CD1 4.05Å; I441-L568 HydrophobicContact CG1-CD2 4.49Å; I441-L568 HydrophobicContact CG1-CG 3.7Å; L442-L568 HydrophobicContact CD2-CD2 3.87Å; L447-L568 HydrophobicContact CD2-CD1 3.86Å; V450-L568 HydrophobicContact CG1-CD1 4.37Å; V450-L568 HydrophobicContact CG2-CD1 4.31Å; V491-L568 HydrophobicContact CG1-CD1 4.23Å; V491-L568 HydrophobicContact CG1-CD2 3.86Å; L554-L568 HydrophobicContact CD2-CD2 3.37Å
569	V	96.1	Very high	90.1	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.9	177.5	-174	0	0	0	0	108.2	Q414 L415 A553 L888	Q414-V569 HydrophobicContact CG-CG1 3.82Å; L415-V569 WeakPolarHBondContact O-CA 3.41Å; A553-V569 PolarHBondContact O-N 3.28Å; V569-L888 HydrophobicContact CG1-CD1 4.46Å; V569-L888 HydrophobicContact CG2-CD1 3.62Å; V569-L888 HydrophobicContact CG2-CG 4.44Å
570	I	96.8	Very high	90.5	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.4	172.8	-57.6	-177.1	0	0	0	107.8	Q414 L415 I417 V450 Q454 I488 L489 F572	Q414-I570 CarbonylContact C-O 3.56Å; Q414-I570 WeakPolarHBondContact CA-O 3.46Å; L415-I570 HydrophobicContact CB-CB 4.37Å; L415-I570 PolarHBondContact N-O 3.11Å; L415-I570 PolarHBondContact O-N 3.1Å; I417-I570 HydrophobicContact CD1-CD1 3.82Å; I417-I570 HydrophobicContact CD1-CG1 4.34Å; V450-I570 HydrophobicContact CG1-CD1 3.68Å; Q454-I570 HydrophobicContact CB-CD1 4.5Å; I488-I570 HydrophobicContact CG2-CG2 4.36Å; L489-I570 CarbonylContact O-C 3.56Å; L489-I570 VanDerWaalsContact O-CA 3.32Å; L489-I570 WeakPolarHBondContact O-CA 3.45Å; I570-F572 HydrophobicContact CG2-CD2 4.1Å; I570-F572 HydrophobicContact CG2-CE1 4.44Å; I570-F572 HydrophobicContact CG2-CE2 3.43Å; I570-F572 VanDerWaalsContact CG2-CE2 3.43Å; I570-F572 HydrophobicContact CG2-CZ 3.64Å
571	T	96.3	Very high	91	Very high	10 Å²	10	37.3 Å²	37.3	6%	0.061	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.6	177.2	-50.7	0	0	0	0	110.6	T412 T413 Q414 L489 P573	T412-T571 WeakPolarHBondContact OG1-CG2 3.47Å; T413-T571 CarbonylContact O-C 3.53Å; T413-T571 WeakPolarHBondContact O-CA 3.47Å; Q414-T571 PolarHBondContact NE2-OG1 2.98Å; Q414-T571 VanDerWaalsContact NE2-OG1 3.11Å; L489-T571 PolarHBondContact N-O 3.08Å; L489-T571 PolarHBondContact O-N 3.07Å; T571-P573 WeakPolarHBondContact O-CD 3.29Å
572	F	96.3	Very high	91.3	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.009	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	99.2	173.6	-57.9	-88.8	0	0	0	109.5	T413 L415 Q454 I457 E458 L471 I488 I570	T413-F572 PolarHBondContact N-O 3.35Å; T413-F572 VanDerWaalsContact N-O 3.13Å; T413-F572 PolarHBondContact O-N 2.78Å; L415-F572 HydrophobicContact CD1-CD2 4.05Å; L415-F572 HydrophobicContact CD1-CE2 3.75Å; Q454-F572 HydrophobicContact CG-CE1 4.31Å; Q454-F572 HydrophobicContact CG-CZ 4Å; I457-F572 HydrophobicContact CB-CZ 4.16Å; I457-F572 HydrophobicContact CD1-CE2 4.27Å; I457-F572 HydrophobicContact CD1-CZ 4.34Å; I457-F572 HydrophobicContact CG2-CE1 4.13Å; I457-F572 HydrophobicContact CG2-CE2 3.91Å; I457-F572 HydrophobicContact CG2-CZ 3.68Å; E458-F572 HydrophobicContact CG-CE1 4.37Å; L471-F572 HydrophobicContact CD2-CD1 4.07Å; L471-F572 HydrophobicContact CD2-CE1 4.38Å; I488-F572 HydrophobicContact CD1-CD1 4.27Å; I488-F572 HydrophobicContact CD1-CE1 4.01Å; I488-F572 HydrophobicContact CG1-CD1 3.97Å; I488-F572 HydrophobicContact CG1-CE1 4.13Å; I488-F572 HydrophobicContact CG2-CD1 4.15Å; I488-F572 HydrophobicContact CG2-CE1 3.89Å; I570-F572 HydrophobicContact CG2-CD2 4.1Å; I570-F572 HydrophobicContact CG2-CE1 4.44Å; I570-F572 HydrophobicContact CG2-CE2 3.43Å; I570-F572 VanDerWaalsContact CG2-CE2 3.43Å; I570-F572 HydrophobicContact CG2-CZ 3.64Å
573	P	95.3	Very high	91.4	Very high	6 Å²	6	40.5 Å²	40.5	4%	0.039	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	123.6	173.5	-17.9	34.2	0	0	0	111.6	F410 L476 T487 T571	F410-P573 HydrophobicContact CD2-CB 3.79Å; F410-P573 HydrophobicContact CE2-CB 4.15Å; F410-P573 HydrophobicContact CG-CB 4.23Å; L476-P573 HydrophobicContact CB-CB 4.27Å; L476-P573 HydrophobicContact CD2-CB 4.37Å; L476-P573 PolarHBondContact N-O 3.28Å; L476-P573 VanDerWaalsContact N-O 3.07Å; T487-P573 HydrophobicContact CG2-CG 4.09Å; T487-P573 VanDerWaalsContact O-CD 3.23Å; T487-P573 WeakPolarHBondContact O-CD 3.35Å; T571-P573 WeakPolarHBondContact O-CD 3.29Å
574	L	95.1	Very high	91.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	143.8	176.3	-49.4	177.4	0	0	0	110.2	F410 R411 L471 I474 C475 N576 W590 E591	F410-L574 CarbonylContact C-O 3.58Å; F410-L574 WeakPolarHBondContact CA-O 3.26Å; F410-L574 WeakPolarHBondContact CB-O 3.39Å; R411-L574 HydrophobicContact CB-CB 4.26Å; R411-L574 PolarHBondContact N-O 3.49Å; R411-L574 PolarHBondContact O-N 3.38Å; L471-L574 HydrophobicContact CD1-CD2 3.49Å; L471-L574 VanDerWaalsContact CD1-CD2 3.49Å; I474-L574 HydrophobicContact CD1-CD1 4.25Å; I474-L574 HydrophobicContact CD1-CD2 4.14Å; I474-L574 HydrophobicContact CG1-CD2 4.22Å; C475-L574 HydrophobicContact CB-CD2 4.47Å; L574-N576 PolarHBondContact O-N 2.82Å; L574-W590 HydrophobicContact CD1-CE3 3.85Å; L574-W590 HydrophobicContact CD1-CZ3 3.94Å; L574-W590 HydrophobicContact CD2-CE3 4.48Å; L574-W590 HydrophobicContact CD2-CZ3 4.27Å; L574-E591 HydrophobicContact CD1-CG 3.82Å
575	N	92.9	Very high	91.5	Very high	46 Å²	46	40.8 Å²	40.8	25%	0.246	23%	0.226	C	C	.	.			trans	-63.6	136	176	-67.5	-42.3	0	0	0	110.2	I474 C475 L476 Y577	I474-N575 WeakPolarHBondContact O-CB 3.2Å; I474-N575 PolarHBondContact O-N 2.91Å; I474-N575 PolarHBondContact O-ND2 2.99Å; C475-N575 PolarHBondContact O-ND2 2.84Å; L476-N575 WeakPolarHBondContact CA-OD1 3.48Å; L476-N575 VanDerWaalsContact CD1-OD1 3.29Å; L476-N575 WeakPolarHBondContact CD1-OD1 3.44Å; N575-Y577 HydrophobicContact CB-CE1 4.25Å; N575-Y577 HydrophobicContact CB-CE2 4.05Å; N575-Y577 WeakPolarHBondContact CB-OH 3.48Å; N575-Y577 VanDerWaalsContact O-CE2 3.31Å; N575-Y577 WeakPolarHBondContact O-CE2 3.13Å
576	N	91.9	Very high	91.6	Very high	43 Å²	43	42.4 Å²	42.4	23%	0.23	23%	0.234	C	C	.	.			trans	-98.6	154.9	171.8	-158.9	2.1	0	0	0	109.8	P408 F409 R411 L574	P408-N576 HydrophobicContact CB-CB 4.07Å; P408-N576 HydrophobicContact CG-CB 3.91Å; P408-N576 VanDerWaalsContact CG-O 3.27Å; P408-N576 WeakPolarHBondContact CG-O 3.34Å; F409-N576 WeakPolarHBondContact O-CB 3.42Å; F409-N576 PolarHBondContact O-ND2 3.27Å; R411-N576 HydrophobicContact CG-CB 3.9Å; L574-N576 PolarHBondContact O-N 2.82Å
577	Y	89	Confident	91.6	Very high	46 Å²	46	39.8 Å²	39.8	18%	0.18	22%	0.218	C	C	.	.			trans	-135.6	127.4	-172.8	-58.2	-79.2	0	0	0	111.3	N575 D580 K583	N575-Y577 HydrophobicContact CB-CE1 4.25Å; N575-Y577 HydrophobicContact CB-CE2 4.05Å; N575-Y577 WeakPolarHBondContact CB-OH 3.48Å; N575-Y577 VanDerWaalsContact O-CE2 3.31Å; N575-Y577 WeakPolarHBondContact O-CE2 3.13Å; Y577-D580 HydrophobicContact CD1-CB 4.4Å; Y577-D580 HydrophobicContact CG-CB 4.48Å; Y577-K583 HydrophobicContact CD1-CB 4.12Å; Y577-K583 HydrophobicContact CD1-CD 4.03Å; Y577-K583 HydrophobicContact CD2-CB 3.73Å; Y577-K583 HydrophobicContact CE1-CB 4Å; Y577-K583 HydrophobicContact CE1-CD 3.47Å; Y577-K583 VanDerWaalsContact CE1-CD 3.47Å; Y577-K583 HydrophobicContact CE1-CG 4.42Å; Y577-K583 HydrophobicContact CE2-CB 3.6Å; Y577-K583 HydrophobicContact CE2-CD 4.41Å; Y577-K583 HydrophobicContact CG-CB 3.98Å
578	L	79.4	Confident	91.5	Very high	103 Å²	103	41.9 Å²	41.9	54%	0.539	23%	0.229	S	C	.	.	S	Bend	trans	-88.6	-42.6	-178	-161.5	138.2	0	0	0	112.7	D403 P408	D403-L578 HydrophobicContact CB-CD1 3.6Å; P408-L578 HydrophobicContact CG-CB 4.46Å
579	N	81.1	Confident	91.4	Very high	154 Å²	154	42.7 Å²	42.7	82%	0.824	24%	0.235	S	C	*	.	S	Bend	trans	-113.6	-2.9	-175.7	-70.5	-35.5	0	0	0	114.5
580	D	85.8	Confident	91.4	Very high	55 Å²	55	42.6 Å²	42.6	29%	0.294	24%	0.235	S	C	.	.			trans	-109.3	88.5	-175.4	-167	-24.4	0	0	0	111.1	Y577 V582 K583 M584	Y577-D580 HydrophobicContact CD1-CB 4.4Å; Y577-D580 HydrophobicContact CG-CB 4.48Å; D580-V582 PolarHBondContact O-N 2.86Å; D580-V582 PolarHBondContact OD1-N 2.87Å; D580-V582 VanDerWaalsContact OD1-N 3.16Å; D580-K583 HydrophobicContact CB-CB 4.38Å; D580-K583 PolarHBondContact OD1-N 3.3Å; D580-K583 WeakPolarHBondContact OD2-CD 3.48Å; D580-K583 WeakPolarHBondContact OD2-CE 3.28Å; D580-K583 VanDerWaalsContact OD2-CG 3.29Å; D580-K583 WeakPolarHBondContact OD2-CG 3.46Å; D580-M584 WeakPolarHBondContact O-CB 3.5Å; D580-M584 PolarHBondContact O-N 3.01Å; D580-M584 VanDerWaalsContact O-N 3.1Å
581	S	86.4	Confident	91.4	Very high	101 Å²	101	42.6 Å²	42.6	71%	0.706	24%	0.235	S	C	*	.	H	α-helix	trans	-66	-24.9	179.9	63.6	0	0	0	0	113.1	G585	S581-G585 PolarHBondContact O-N 2.82Å
582	V	89.9	Confident	91.4	Very high	79 Å²	79	48.1 Å²	48.1	48%	0.479	26%	0.258	S	S	.	.	H	α-helix	trans	-74	-50.4	-178.3	179.3	0	0	0	0	109.5	D580 M584 G585 Q586	D580-V582 PolarHBondContact O-N 2.86Å; D580-V582 PolarHBondContact OD1-N 2.87Å; D580-V582 VanDerWaalsContact OD1-N 3.16Å; V582-M584 VanDerWaalsContact C-N 3.3Å; V582-M584 PolarHBondContact O-N 3.16Å; V582-G585 PolarHBondContact O-N 3.28Å; V582-Q586 WeakPolarHBondContact O-CG 3.47Å; V582-Q586 PolarHBondContact O-N 3.39Å
583	K	89.6	Confident	91.4	Very high	93 Å²	93	51 Å²	51	40%	0.404	27%	0.272	S	S	.	.	H	α-helix	trans	-65.3	-35.4	176	-69.3	-173.9	-173.1	-179.2	0	112.5	Y577 D580 Q586 A587	Y577-K583 HydrophobicContact CD1-CB 4.12Å; Y577-K583 HydrophobicContact CD1-CD 4.03Å; Y577-K583 HydrophobicContact CD2-CB 3.73Å; Y577-K583 HydrophobicContact CE1-CB 4Å; Y577-K583 HydrophobicContact CE1-CD 3.47Å; Y577-K583 VanDerWaalsContact CE1-CD 3.47Å; Y577-K583 HydrophobicContact CE1-CG 4.42Å; Y577-K583 HydrophobicContact CE2-CB 3.6Å; Y577-K583 HydrophobicContact CE2-CD 4.41Å; Y577-K583 HydrophobicContact CG-CB 3.98Å; D580-K583 HydrophobicContact CB-CB 4.38Å; D580-K583 PolarHBondContact OD1-N 3.3Å; D580-K583 WeakPolarHBondContact OD2-CD 3.48Å; D580-K583 WeakPolarHBondContact OD2-CE 3.28Å; D580-K583 VanDerWaalsContact OD2-CG 3.29Å; D580-K583 WeakPolarHBondContact OD2-CG 3.46Å; K583-Q586 WeakPolarHBondContact O-CB 3.41Å; K583-Q586 PolarHBondContact O-N 2.97Å; K583-A587 PolarHBondContact O-N 3.41Å
584	M	90.6	Very high	91.4	Very high	43 Å²	43	50.8 Å²	50.8	21%	0.212	27%	0.27	C	S	.	.	H	α-helix	trans	-61.2	-44.7	172.3	-172.4	61.9	176.4	0	0	111.4	D580 V582 Q586 A587 L588	D580-M584 WeakPolarHBondContact O-CB 3.5Å; D580-M584 PolarHBondContact O-N 3.01Å; D580-M584 VanDerWaalsContact O-N 3.1Å; V582-M584 VanDerWaalsContact C-N 3.3Å; V582-M584 PolarHBondContact O-N 3.16Å; M584-Q586 VanDerWaalsContact C-N 3.29Å; M584-Q586 PolarHBondContact O-N 2.95Å; M584-A587 PolarHBondContact O-N 3.47Å; M584-L588 HydrophobicContact CE-CD1 4.2Å; M584-L588 HydrophobicContact CE-CD2 4.21Å; M584-L588 HydrophobicContact CE-CG 4.19Å; M584-L588 HydrophobicContact CG-CD1 4.13Å; M584-L588 HydrophobicContact CG-CG 4.46Å; M584-L588 WeakPolarHBondContact O-CB 3.42Å; M584-L588 VanDerWaalsContact O-CG 3.29Å; M584-L588 WeakPolarHBondContact O-CG 3.23Å; M584-L588 PolarHBondContact O-N 3.33Å
585	G	91.1	Very high	91.5	Very high	16 Å²	16	51.4 Å²	51.4	17%	0.165	27%	0.273	C	S	.	.	H	α-helix	trans	-58.6	-38.8	174.3	0	0	0	0	0	113.2	S581 V582 A589	S581-G585 PolarHBondContact O-N 2.82Å; V582-G585 PolarHBondContact O-N 3.28Å; G585-A589 WeakPolarHBondContact O-CB 3.27Å; G585-A589 PolarHBondContact O-N 3.02Å
586	Q	93.6	Very high	91.7	Very high	35 Å²	35	54.2 Å²	54.2	16%	0.164	28%	0.283	C	S	.	.	H	α-helix	trans	-65	-46.4	174.8	-68	177.9	-28.7	0	0	112.5	H464 V469 I474 V582 K583 M584 A589 W590	H464-Q586 HydrophobicContact CB-CG 4.41Å; V469-Q586 HydrophobicContact CG1-CB 4Å; V469-Q586 HydrophobicContact CG2-CB 3.89Å; V469-Q586 HydrophobicContact CG2-CG 3.74Å; I474-Q586 HydrophobicContact CG2-CB 4.33Å; V582-Q586 WeakPolarHBondContact O-CG 3.47Å; V582-Q586 PolarHBondContact O-N 3.39Å; K583-Q586 WeakPolarHBondContact O-CB 3.41Å; K583-Q586 PolarHBondContact O-N 2.97Å; M584-Q586 VanDerWaalsContact C-N 3.29Å; M584-Q586 PolarHBondContact O-N 2.95Å; Q586-A589 PolarHBondContact O-N 3.31Å; Q586-W590 PolarHBondContact O-N 3.17Å
587	A	94.1	Very high	91.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.7	-46.2	177.1	0	0	0	0	0	111.5	I474 K583 M584 A589 W590 E591	I474-A587 HydrophobicContact CD1-CB 4.48Å; K583-A587 PolarHBondContact O-N 3.41Å; M584-A587 PolarHBondContact O-N 3.47Å; A587-A589 VanDerWaalsContact C-N 3.31Å; A587-A589 PolarHBondContact O-N 2.96Å; A587-W590 PolarHBondContact O-N 3.28Å; A587-E591 WeakPolarHBondContact O-CG 3.36Å; A587-E591 PolarHBondContact O-N 3.28Å
588	L	93.7	Very high	92.2	Very high	44 Å²	44	52.5 Å²	52.5	23%	0.23	28%	0.275	C	S	.	.	H	α-helix	trans	-62	-36.5	176.6	-71.2	174.8	0	0	0	112.5	M584 K592 R614	M584-L588 HydrophobicContact CE-CD1 4.2Å; M584-L588 HydrophobicContact CE-CD2 4.21Å; M584-L588 HydrophobicContact CE-CG 4.19Å; M584-L588 HydrophobicContact CG-CD1 4.13Å; M584-L588 HydrophobicContact CG-CG 4.46Å; M584-L588 WeakPolarHBondContact O-CB 3.42Å; M584-L588 VanDerWaalsContact O-CG 3.29Å; M584-L588 WeakPolarHBondContact O-CG 3.23Å; M584-L588 PolarHBondContact O-N 3.33Å; L588-K592 WeakPolarHBondContact O-CB 3.47Å; L588-K592 PolarHBondContact O-N 2.93Å; L588-K592 VanDerWaalsContact O-N 3.14Å; L588-R614 HydrophobicContact CD2-CB 4.1Å; L588-R614 PolarHBondContact O-NH1 3.36Å
589	A	94.9	Very high	93	Very high	17 Å²	17	53 Å²	53	14%	0.14	27%	0.272	C	S	.	.	H	α-helix	trans	-67.4	-41.1	176	0	0	0	0	0	111.9	H464 G585 Q586 A587 K592 E593	H464-A589 HydrophobicContact CB-CB 4.02Å; G585-A589 WeakPolarHBondContact O-CB 3.27Å; G585-A589 PolarHBondContact O-N 3.02Å; Q586-A589 PolarHBondContact O-N 3.31Å; A587-A589 VanDerWaalsContact C-N 3.31Å; A587-A589 PolarHBondContact O-N 2.96Å; A589-K592 PolarHBondContact O-N 3.03Å; A589-E593 PolarHBondContact O-N 3.31Å
590	W	96.4	Very high	93.6	Very high	1 Å²	1	51.8 Å²	51.8	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-65.2	-46.6	175.5	-173.1	90.9	0	0	0	112.1	I457 L460 A462 L471 I474 L574 Q586 A587 K592 E593 F594	I457-W590 HydrophobicContact CG2-CH2 4.12Å; I457-W590 HydrophobicContact CG2-CZ2 4.18Å; L460-W590 HydrophobicContact CD1-CZ2 4.49Å; L460-W590 PolarHBondContact O-NE1 2.94Å; A462-W590 HydrophobicContact CB-CB 4.21Å; L471-W590 HydrophobicContact CB-CZ2 4.02Å; L471-W590 HydrophobicContact CD1-CH2 3.85Å; L471-W590 HydrophobicContact CD1-CZ2 3.74Å; L471-W590 HydrophobicContact CD1-CZ3 4.33Å; L471-W590 HydrophobicContact CD2-CZ2 4.35Å; L471-W590 HydrophobicContact CG-CZ2 4.24Å; I474-W590 HydrophobicContact CD1-CB 3.48Å; I474-W590 VanDerWaalsContact CD1-CB 3.48Å; I474-W590 HydrophobicContact CD1-CD2 3.81Å; I474-W590 HydrophobicContact CD1-CE3 4.04Å; I474-W590 HydrophobicContact CD1-CG 3.56Å; L574-W590 HydrophobicContact CD1-CE3 3.85Å; L574-W590 HydrophobicContact CD1-CZ3 3.94Å; L574-W590 HydrophobicContact CD2-CE3 4.48Å; L574-W590 HydrophobicContact CD2-CZ3 4.27Å; Q586-W590 PolarHBondContact O-N 3.17Å; A587-W590 PolarHBondContact O-N 3.28Å; W590-K592 PolarHBondContact O-N 2.91Å; W590-E593 PolarHBondContact O-N 3.27Å; W590-E593 VanDerWaalsContact O-N 3.16Å; W590-F594 HydrophobicContact CE3-CB 4.37Å; W590-F594 HydrophobicContact CH2-CB 4.32Å; W590-F594 HydrophobicContact CH2-CD2 4.33Å; W590-F594 HydrophobicContact CH2-CG 4.47Å; W590-F594 HydrophobicContact CZ3-CB 4.12Å; W590-F594 HydrophobicContact CZ3-CG 4.38Å; W590-F594 PolarHBondContact O-N 3.07Å
591	E	96.6	Very high	94.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-56.7	-37.2	175.6	-73.6	175.5	179.4	0	0	111.9	R411 L574 A587 F594 I595 A612 R614	R411-E591 IonicContact CZ-OE1 3.93Å; R411-E591 IonicContact CZ-OE2 2.83Å; R411-E591 IonicContact NE-OE1 3.77Å; R411-E591 PolarHBondContact NE-OE1 3.31Å; R411-E591 IonicContact NE-OE2 2.99Å; R411-E591 IonicContact NH2-OE1 2.7Å; R411-E591 PolarHBondContact NH2-OE1 3.38Å; R411-E591 IonicContact NH2-OE2 2.85Å; R411-E591 PolarHBondContact NH2-OE2 3.36Å; L574-E591 HydrophobicContact CD1-CG 3.82Å; A587-E591 WeakPolarHBondContact O-CG 3.36Å; A587-E591 PolarHBondContact O-N 3.28Å; E591-F594 WeakPolarHBondContact O-CB 3.48Å; E591-F594 PolarHBondContact O-N 2.86Å; E591-I595 VanDerWaalsContact O-CG1 3.29Å; E591-I595 WeakPolarHBondContact O-CG1 3.21Å; E591-I595 PolarHBondContact O-N 3.48Å; E591-A612 HydrophobicContact CB-CB 4.29Å; E591-A612 HydrophobicContact CG-CB 4.33Å; E591-R614 HydrophobicContact CB-CG 3.92Å; E591-R614 WeakPolarHBondContact OE2-CB 3.01Å; E591-R614 VanDerWaalsContact OE2-CG 3.3Å; E591-R614 WeakPolarHBondContact OE2-CG 3.46Å
592	K	95.5	Very high	94.3	Very high	126 Å²	126	54 Å²	54	55%	0.548	27%	0.267	S	S	.	.	H	α-helix	trans	-66.3	-44.4	178	-175.7	176.7	-179.1	175.6	0	112.5	L588 A589 W590 F594 I595 K596	L588-K592 WeakPolarHBondContact O-CB 3.47Å; L588-K592 PolarHBondContact O-N 2.93Å; L588-K592 VanDerWaalsContact O-N 3.14Å; A589-K592 PolarHBondContact O-N 3.03Å; W590-K592 PolarHBondContact O-N 2.91Å; K592-F594 VanDerWaalsContact C-N 3.35Å; K592-I595 PolarHBondContact O-N 3.01Å; K592-K596 WeakPolarHBondContact O-CB 3.34Å; K592-K596 PolarHBondContact O-N 3.45Å; K592-K596 VanDerWaalsContact O-N 3.11Å
593	E	95.9	Very high	94.4	Very high	64 Å²	64	51.6 Å²	51.6	30%	0.299	25%	0.252	S	S	.	.	H	α-helix	trans	-69.6	-33.9	175.3	-73.5	-61	135.9	0	0	111.5	A462 A589 W590 K596 F597	A462-E593 HydrophobicContact CB-CB 4.3Å; A462-E593 HydrophobicContact CB-CG 4.07Å; A589-E593 PolarHBondContact O-N 3.31Å; W590-E593 PolarHBondContact O-N 3.27Å; W590-E593 VanDerWaalsContact O-N 3.16Å; E593-K596 PolarHBondContact O-N 3.37Å; E593-K596 IonicContact OE1-NZ 3.84Å; E593-K596 PolarHBondContact OE1-NZ 3.21Å; E593-K596 WeakPolarHBondContact OE2-CD 3.2Å; E593-K596 IonicContact OE2-NZ 3.74Å; E593-K596 PolarHBondContact OE2-NZ 3.49Å; E593-F597 WeakPolarHBondContact O-CB 3.43Å; E593-F597 PolarHBondContact O-N 2.69Å
594	F	96.9	Very high	94.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.1	-51.4	170.2	165.6	-96.3	0	0	0	112.2	T413 L415 I457 L460 W590 E591 K592 K596 F597 M598 F610 A612	T413-F594 HydrophobicContact CG2-CD1 3.56Å; T413-F594 HydrophobicContact CG2-CD2 4.31Å; T413-F594 HydrophobicContact CG2-CE1 3.16Å; T413-F594 HydrophobicContact CG2-CE2 3.96Å; T413-F594 HydrophobicContact CG2-CG 4.13Å; T413-F594 HydrophobicContact CG2-CZ 3.38Å; L415-F594 HydrophobicContact CD1-CE2 3.96Å; L415-F594 HydrophobicContact CD1-CZ 3.65Å; L415-F594 HydrophobicContact CG-CZ 4.22Å; I457-F594 HydrophobicContact CD1-CE2 4.07Å; I457-F594 HydrophobicContact CG1-CD2 4.47Å; I457-F594 HydrophobicContact CG1-CE2 4.32Å; I457-F594 HydrophobicContact CG2-CD2 3.95Å; I457-F594 HydrophobicContact CG2-CE2 4.13Å; L460-F594 HydrophobicContact CD1-CB 4.26Å; L460-F594 HydrophobicContact CD1-CD2 4.38Å; W590-F594 HydrophobicContact CE3-CB 4.37Å; W590-F594 HydrophobicContact CH2-CB 4.32Å; W590-F594 HydrophobicContact CH2-CD2 4.33Å; W590-F594 HydrophobicContact CH2-CG 4.47Å; W590-F594 HydrophobicContact CZ3-CB 4.12Å; W590-F594 HydrophobicContact CZ3-CG 4.38Å; W590-F594 PolarHBondContact O-N 3.07Å; E591-F594 WeakPolarHBondContact O-CB 3.48Å; E591-F594 PolarHBondContact O-N 2.86Å; K592-F594 VanDerWaalsContact C-N 3.35Å; F594-K596 VanDerWaalsContact C-N 3.27Å; F594-K596 PolarHBondContact O-N 3.26Å; F594-F597 WeakPolarHBondContact O-CB 3.43Å; F594-F597 PolarHBondContact O-N 3.46Å; F594-F597 VanDerWaalsContact O-N 3.16Å; F594-M598 HydrophobicContact CD2-CG 4.07Å; F594-M598 HydrophobicContact CE1-CG 4.06Å; F594-M598 HydrophobicContact CE2-CG 3.53Å; F594-M598 HydrophobicContact CE2-SD 4.03Å; F594-M598 HydrophobicContact CZ-CG 3.52Å; F594-M598 HydrophobicContact CZ-SD 4.38Å; F594-M598 WeakPolarHBondContact O-CG 3.13Å; F594-M598 PolarHBondContact O-N 2.69Å; F594-F610 HydrophobicContact CE1-CD2 4.25Å; F594-F610 HydrophobicContact CZ-CB 4.5Å; F594-A612 HydrophobicContact CD1-CB 4.24Å; F594-A612 HydrophobicContact CE1-CB 4.4Å
595	I	96.6	Very high	94.7	Very high	13 Å²	13	53.1 Å²	53.1	7%	0.067	27%	0.271	C	S	.	.	H	α-helix	trans	-58.5	-43.5	178	-69.1	162.8	0	0	0	110.4	E591 K592 M598 K599 F610 A612 R614 S615	E591-I595 VanDerWaalsContact O-CG1 3.29Å; E591-I595 WeakPolarHBondContact O-CG1 3.21Å; E591-I595 PolarHBondContact O-N 3.48Å; K592-I595 PolarHBondContact O-N 3.01Å; I595-M598 PolarHBondContact O-N 3.27Å; I595-K599 HydrophobicContact CG2-CD 4.13Å; I595-K599 HydrophobicContact CG2-CG 4.42Å; I595-K599 WeakPolarHBondContact O-CB 3.42Å; I595-K599 WeakPolarHBondContact O-CG 3.48Å; I595-K599 PolarHBondContact O-N 3.19Å; I595-F610 HydrophobicContact CG2-CE2 4.29Å; I595-A612 HydrophobicContact CD1-CB 4.1Å; I595-A612 HydrophobicContact CG1-CB 4.13Å; I595-R614 HydrophobicContact CD1-CG 3.9Å; I595-S615 WeakPolarHBondContact CD1-OG 3.48Å
596	K	96.1	Very high	94.8	Very high	105 Å²	105	53 Å²	53	46%	0.457	27%	0.267	S	S	.	.	H	α-helix	trans	-65.1	-38.6	179	178.5	-177.2	163.4	-151.3	0	112.1	K592 E593 F594 N600	K592-K596 WeakPolarHBondContact O-CB 3.34Å; K592-K596 PolarHBondContact O-N 3.45Å; K592-K596 VanDerWaalsContact O-N 3.11Å; E593-K596 PolarHBondContact O-N 3.37Å; E593-K596 IonicContact OE1-NZ 3.84Å; E593-K596 PolarHBondContact OE1-NZ 3.21Å; E593-K596 WeakPolarHBondContact OE2-CD 3.2Å; E593-K596 IonicContact OE2-NZ 3.74Å; E593-K596 PolarHBondContact OE2-NZ 3.49Å; F594-K596 VanDerWaalsContact C-N 3.27Å; F594-K596 PolarHBondContact O-N 3.26Å; K596-N600 PolarHBondContact O-N 2.81Å; K596-N600 PolarHBondContact O-ND2 3.26Å
597	F	96.8	Very high	94.9	Very high	46 Å²	46	54.4 Å²	54.4	20%	0.202	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-50.8	173	172.1	-96.3	0	0	0	110.6	L453 E456 I457 L460 E593 F594 K599 N600 F601	L453-F597 HydrophobicContact CD1-CE1 3.72Å; L453-F597 HydrophobicContact CD1-CZ 4.15Å; E456-F597 HydrophobicContact CB-CE2 4.41Å; E456-F597 HydrophobicContact CB-CZ 3.86Å; E456-F597 WeakPolarHBondContact OE2-CZ 3.31Å; I457-F597 HydrophobicContact CD1-CE1 4.47Å; I457-F597 HydrophobicContact CG1-CD1 4.11Å; I457-F597 HydrophobicContact CG1-CE1 3.71Å; L460-F597 HydrophobicContact CD1-CB 4.25Å; L460-F597 HydrophobicContact CD1-CD1 4.34Å; L460-F597 HydrophobicContact CD1-CG 4.29Å; L460-F597 HydrophobicContact CD2-CB 4.17Å; L460-F597 HydrophobicContact CD2-CD2 4.02Å; L460-F597 HydrophobicContact CD2-CG 4.05Å; E593-F597 WeakPolarHBondContact O-CB 3.43Å; E593-F597 PolarHBondContact O-N 2.69Å; F594-F597 WeakPolarHBondContact O-CB 3.43Å; F594-F597 PolarHBondContact O-N 3.46Å; F594-F597 VanDerWaalsContact O-N 3.16Å; F597-K599 PolarHBondContact O-N 3.21Å; F597-N600 CarbonylContact O-C 3.33Å; F597-N600 PolarHBondContact O-N 3.38Å; F597-F601 HydrophobicContact CZ-CD2 4.39Å; F597-F601 PolarHBondContact O-N 3.48Å
598	M	96.1	Very high	94.9	Very high	7 Å²	7	56.2 Å²	56.2	3%	0.034	29%	0.289	C	S	.	.	H	α-helix	trans	-64.1	-35.7	-178.9	-68.3	-50.8	-55.9	0	0	113.6	L415 L453 I457 F594 I595 N600 F601 V608 F610	L415-M598 HydrophobicContact CD2-CE 3.69Å; L415-M598 HydrophobicContact CD2-SD 3.96Å; L453-M598 HydrophobicContact CD1-CE 4.49Å; L453-M598 HydrophobicContact CD1-SD 4.19Å; I457-M598 HydrophobicContact CD1-SD 3.98Å; I457-M598 HydrophobicContact CG1-SD 4.44Å; F594-M598 HydrophobicContact CD2-CG 4.07Å; F594-M598 HydrophobicContact CE1-CG 4.06Å; F594-M598 HydrophobicContact CE2-CG 3.53Å; F594-M598 HydrophobicContact CE2-SD 4.03Å; F594-M598 HydrophobicContact CZ-CG 3.52Å; F594-M598 HydrophobicContact CZ-SD 4.38Å; F594-M598 WeakPolarHBondContact O-CG 3.13Å; F594-M598 PolarHBondContact O-N 2.69Å; I595-M598 PolarHBondContact O-N 3.27Å; M598-N600 PolarHBondContact O-N 2.83Å; M598-F601 PolarHBondContact O-N 2.84Å; M598-V608 HydrophobicContact CE-CB 4.29Å; M598-V608 HydrophobicContact CE-CG1 3.55Å; M598-F610 HydrophobicContact CB-CD1 3.77Å; M598-F610 HydrophobicContact CB-CD2 3.73Å; M598-F610 HydrophobicContact CB-CE1 3.67Å; M598-F610 HydrophobicContact CB-CE2 3.63Å; M598-F610 HydrophobicContact CB-CG 3.81Å; M598-F610 HydrophobicContact CB-CZ 3.61Å; M598-F610 HydrophobicContact CE-CD1 4.29Å; M598-F610 HydrophobicContact CG-CD1 4.43Å; M598-F610 HydrophobicContact CG-CD2 4.14Å; M598-F610 HydrophobicContact CG-CE2 4.49Å; M598-F610 HydrophobicContact CG-CG 4.12Å
599	K	94.4	Very high	95.1	Very high	113 Å²	113	54.4 Å²	54.4	49%	0.491	28%	0.28	S	S	.	.	H	α-helix	trans	-64.7	-27.1	173.6	-75.1	-176.5	176.5	-175	0	113.3	I595 F597 F610 E619	I595-K599 HydrophobicContact CG2-CD 4.13Å; I595-K599 HydrophobicContact CG2-CG 4.42Å; I595-K599 WeakPolarHBondContact O-CB 3.42Å; I595-K599 WeakPolarHBondContact O-CG 3.48Å; I595-K599 PolarHBondContact O-N 3.19Å; F597-K599 PolarHBondContact O-N 3.21Å; K599-F610 HydrophobicContact CG-CZ 3.84Å; K599-E619 IonicContact NZ-OE1 2.9Å
600	N	95.7	Very high	95.1	Very high	129 Å²	129	54.3 Å²	54.3	69%	0.69	28%	0.277	S	S	*	.	H	α-helix	trans	-95.7	-14.7	179.6	-67.9	-33.1	0	0	0	113.1	K596 F597 M598 N602	K596-N600 PolarHBondContact O-N 2.81Å; K596-N600 PolarHBondContact O-ND2 3.26Å; F597-N600 CarbonylContact O-C 3.33Å; F597-N600 PolarHBondContact O-N 3.38Å; M598-N600 PolarHBondContact O-N 2.83Å; N600-N602 PolarHBondContact O-N 2.83Å
601	F	94.3	Very high	95.1	Very high	54 Å²	54	54.8 Å²	54.8	24%	0.237	28%	0.28	C	S	.	.			trans	-68.7	129.1	178.1	-177.9	-99.7	0	0	0	110.2	L453 F597 M598 N603 V608	L453-F601 HydrophobicContact CB-CE2 4.48Å; L453-F601 HydrophobicContact CB-CZ 4.27Å; L453-F601 HydrophobicContact CD1-CD1 4.28Å; L453-F601 HydrophobicContact CD1-CD2 3.81Å; L453-F601 HydrophobicContact CD1-CE1 4.16Å; L453-F601 HydrophobicContact CD1-CE2 3.69Å; L453-F601 HydrophobicContact CD1-CG 4.11Å; L453-F601 HydrophobicContact CD1-CZ 3.87Å; L453-F601 HydrophobicContact CD2-CE1 4Å; L453-F601 HydrophobicContact CD2-CZ 4.09Å; L453-F601 HydrophobicContact CG-CZ 4.29Å; F597-F601 HydrophobicContact CZ-CD2 4.39Å; F597-F601 PolarHBondContact O-N 3.48Å; M598-F601 PolarHBondContact O-N 2.84Å; F601-N603 HydrophobicContact CE1-CB 3.91Å; F601-N603 HydrophobicContact CZ-CB 3.88Å; F601-V608 HydrophobicContact CE1-CG2 4.31Å
602	N	91.4	Very high	95.1	Very high	148 Å²	148	54.9 Å²	54.9	79%	0.791	28%	0.281	S	S	*	.			trans	-140.6	121.8	178	-174.8	15.2	0	0	0	109.4	N600	N600-N602 PolarHBondContact O-N 2.83Å
603	N	92.8	Very high	94.9	Very high	29 Å²	29	52.6 Å²	52.6	16%	0.155	27%	0.272	C	S	.	.			trans	-136.9	123.2	174.5	-178.7	-25.7	0	0	0	108.4	Q449 F601 N605 L606	Q449-N603 PolarHBondContact OE1-ND2 3.4Å; Q449-N603 PolarHBondContact OE1-OD1 3.5Å; F601-N603 HydrophobicContact CE1-CB 3.91Å; F601-N603 HydrophobicContact CZ-CB 3.88Å; N603-N605 PolarHBondContact O-N 3.25Å; N603-N605 WeakPolarHBondContact OD1-CB 3.33Å; N603-N605 PolarHBondContact OD1-N 2.89Å; N603-L606 HydrophobicContact CB-CB 4.26Å; N603-L606 HydrophobicContact CB-CG 4.5Å; N603-L606 PolarHBondContact O-N 2.96Å
604	P	92.1	Very high	94.7	Very high	110 Å²	110	51.5 Å²	51.5	71%	0.714	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-20.6	-177	27.9	-36.4	0	0	0	114.1
605	N	93.6	Very high	94.5	Very high	58 Å²	58	51.5 Å²	51.5	31%	0.31	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-11.8	-178.5	-61.4	-26.8	0	0	0	113.3	T419 P420 I446 Q449 N603	T419-N605 WeakPolarHBondContact CB-O 3.27Å; T419-N605 PolarHBondContact OG1-O 3.47Å; P420-N605 WeakPolarHBondContact CD-O 3.38Å; I446-N605 HydrophobicContact CD1-CB 3.95Å; Q449-N605 PolarHBondContact OE1-ND2 3.14Å; Q449-N605 VanDerWaalsContact OE1-ND2 3.08Å; N603-N605 PolarHBondContact O-N 3.25Å; N603-N605 WeakPolarHBondContact OD1-CB 3.33Å; N603-N605 PolarHBondContact OD1-N 2.89Å
606	L	94.5	Very high	94.1	Very high	13 Å²	13	53.4 Å²	53.4	7%	0.068	28%	0.277	C	S	.	.			trans	-126.1	136.5	-173	-61.7	-179.2	0	0	0	111	I417 I446 Q449 V450 N603 V608	I417-L606 HydrophobicContact CG2-CB 4.44Å; I417-L606 HydrophobicContact CG2-CD2 3.88Å; I446-L606 HydrophobicContact CG2-CD2 3.83Å; Q449-L606 HydrophobicContact CB-CD1 4.29Å; V450-L606 HydrophobicContact CG2-CD1 4.04Å; V450-L606 HydrophobicContact CG2-CD2 4.09Å; N603-L606 HydrophobicContact CB-CB 4.26Å; N603-L606 HydrophobicContact CB-CG 4.5Å; N603-L606 PolarHBondContact O-N 2.96Å; L606-V608 HydrophobicContact CB-CG2 4.3Å
607	T	94.3	Very high	93.7	Very high	66 Å²	66	51.8 Å²	51.8	41%	0.405	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	115.7	167.3	39.5	0	0	0	0	108.3	T418	T418-T607 PolarHBondContact N-O 3.03Å; T418-T607 PolarHBondContact O-N 3.05Å; T418-T607 PolarHBondContact O-OG1 2.91Å; T418-T607 PolarHBondContact OG1-O 2.9Å; T418-T607 PolarHBondContact OG1-OG1 3.25Å
608	V	95.4	Very high	93.3	Very high	38 Å²	38	52 Å²	52	23%	0.23	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.2	-172.5	-172.4	0	0	0	0	109.8	L415 I417 L453 M598 F601 L606	L415-V608 HydrophobicContact CB-CG1 4.36Å; L415-V608 HydrophobicContact CD2-CG1 4.15Å; L415-V608 HydrophobicContact CG-CG1 4.48Å; I417-V608 HydrophobicContact CG1-CG1 4.14Å; I417-V608 HydrophobicContact CG1-CG2 4.24Å; I417-V608 HydrophobicContact CG2-CG2 4.31Å; L453-V608 HydrophobicContact CD2-CG2 4.48Å; M598-V608 HydrophobicContact CE-CB 4.29Å; M598-V608 HydrophobicContact CE-CG1 3.55Å; F601-V608 HydrophobicContact CE1-CG2 4.31Å; L606-V608 HydrophobicContact CB-CG2 4.3Å
609	A	96.3	Very high	92.9	Very high	5 Å²	5	52 Å²	52	4%	0.041	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	137.3	164.5	0	0	0	0	0	108.8	L415 I416 N883	L415-A609 CarbonylContact C-O 3.53Å; L415-A609 WeakPolarHBondContact CA-O 3.34Å; I416-A609 PolarHBondContact N-O 2.99Å; I416-A609 PolarHBondContact O-N 3.17Å; A609-N883 HydrophobicContact CB-CB 4.17Å; A609-N883 WeakPolarHBondContact CB-ND2 3.44Å
610	F	96.4	Very high	92.5	Very high	15 Å²	15	49.4 Å²	49.4	7%	0.066	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	154.2	-173.4	63.9	-86.2	0	0	0	111.3	Q414 L415 F594 I595 M598 K599 Y876	Q414-F610 VanDerWaalsContact O-CA 3.32Å; Q414-F610 WeakPolarHBondContact O-CA 3.48Å; L415-F610 HydrophobicContact CG-CB 4.13Å; F594-F610 HydrophobicContact CE1-CD2 4.25Å; F594-F610 HydrophobicContact CZ-CB 4.5Å; I595-F610 HydrophobicContact CG2-CE2 4.29Å; M598-F610 HydrophobicContact CB-CD1 3.77Å; M598-F610 HydrophobicContact CB-CD2 3.73Å; M598-F610 HydrophobicContact CB-CE1 3.67Å; M598-F610 HydrophobicContact CB-CE2 3.63Å; M598-F610 HydrophobicContact CB-CG 3.81Å; M598-F610 HydrophobicContact CB-CZ 3.61Å; M598-F610 HydrophobicContact CE-CD1 4.29Å; M598-F610 HydrophobicContact CG-CD1 4.43Å; M598-F610 HydrophobicContact CG-CD2 4.14Å; M598-F610 HydrophobicContact CG-CE2 4.49Å; M598-F610 HydrophobicContact CG-CG 4.12Å; K599-F610 HydrophobicContact CG-CZ 3.84Å; F610-Y876 HydrophobicContact CD2-CD2 4.04Å; F610-Y876 AromaticContact CD2-CE2 3.93Å; F610-Y876 HydrophobicContact CD2-CE2 3.93Å; F610-Y876 HydrophobicContact CE1-CD2 4.27Å; F610-Y876 AromaticContact CE2-CD2 3.52Å; F610-Y876 HydrophobicContact CE2-CD2 3.52Å; F610-Y876 AromaticContact CE2-CE2 3.45Å; F610-Y876 HydrophobicContact CE2-CE2 3.45Å; F610-Y876 VanDerWaalsContact CE2-CE2 3.45Å; F610-Y876 HydrophobicContact CE2-CG 4.35Å; F610-Y876 AromaticContact CZ-CD2 3.65Å; F610-Y876 HydrophobicContact CZ-CD2 3.65Å; F610-Y876 HydrophobicContact CZ-CE2 4.03Å; F610-Y876 HydrophobicContact CZ-CG 4.1Å; F610-Y876 WeakPolarHBondContact O-CD2 3.47Å
611	S	95.9	Very high	91.9	Very high	12 Å²	12	45.9 Å²	45.9	8%	0.084	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	141	172.9	-173.6	0	0	0	0	109.7	T413 Q414	T413-S611 WeakPolarHBondContact CA-O 3.37Å; Q414-S611 PolarHBondContact N-O 2.93Å; Q414-S611 PolarHBondContact O-N 3.5Å
612	A	95.6	Very high	91.5	Very high	1 Å²	1	48 Å²	48	1%	0.008	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	159.8	164.3	0	0	0	0	0	108.8	T413 E591 F594 I595 R614 S615	T413-A612 HydrophobicContact CG2-CB 4.25Å; E591-A612 HydrophobicContact CB-CB 4.29Å; E591-A612 HydrophobicContact CG-CB 4.33Å; F594-A612 HydrophobicContact CD1-CB 4.24Å; F594-A612 HydrophobicContact CE1-CB 4.4Å; I595-A612 HydrophobicContact CD1-CB 4.1Å; I595-A612 HydrophobicContact CG1-CB 4.13Å; A612-R614 HydrophobicContact CB-CG 4.47Å; A612-R614 PolarHBondContact O-N 3.31Å; A612-R614 VanDerWaalsContact O-N 3.15Å; A612-S615 PolarHBondContact N-OG 3.49Å; A612-S615 WeakPolarHBondContact O-CB 3.27Å; A612-S615 PolarHBondContact O-N 3.29Å; A612-S615 PolarHBondContact O-OG 2.89Å
613	E	91.8	Very high	91.1	Very high	79 Å²	79	41.4 Å²	41.4	37%	0.369	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-36.7	-178.2	-172.5	66.5	-156.4	0	0	112.8	R411 T412 S615	R411-E613 HydrophobicContact CB-CB 3.99Å; R411-E613 HydrophobicContact CB-CG 4.15Å; R411-E613 HydrophobicContact CG-CG 4.31Å; R411-E613 VanDerWaalsContact CZ-CG 3.44Å; T412-E613 PolarHBondContact O-N 3.3Å; E613-S615 VanDerWaalsContact C-N 3.33Å; E613-S615 PolarHBondContact O-N 3.21Å
614	R	91.8	Very high	90.6	Very high	40 Å²	40	41 Å²	41	15%	0.151	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-14.7	175	68.6	176.4	-68.4	138.9	18.6	115.2	L588 E591 I595 A612 V616 E617 D618	L588-R614 HydrophobicContact CD2-CB 4.1Å; L588-R614 PolarHBondContact O-NH1 3.36Å; E591-R614 HydrophobicContact CB-CG 3.92Å; E591-R614 WeakPolarHBondContact OE2-CB 3.01Å; E591-R614 VanDerWaalsContact OE2-CG 3.3Å; E591-R614 WeakPolarHBondContact OE2-CG 3.46Å; I595-R614 HydrophobicContact CD1-CG 3.9Å; A612-R614 HydrophobicContact CB-CG 4.47Å; A612-R614 PolarHBondContact O-N 3.31Å; A612-R614 VanDerWaalsContact O-N 3.15Å; R614-V616 VanDerWaalsContact C-N 3.27Å; R614-V616 PolarHBondContact O-N 3.01Å; R614-E617 PolarHBondContact O-N 2.76Å; R614-D618 IonicContact CZ-OD1 3.5Å; R614-D618 IonicContact CZ-OD2 3.25Å; R614-D618 IonicContact NE-OD1 3.98Å; R614-D618 IonicContact NE-OD2 2.78Å; R614-D618 PolarHBondContact NE-OD2 3.24Å; R614-D618 IonicContact NH2-OD1 3.62Å; R614-D618 PolarHBondContact NH2-OD1 3.41Å; R614-D618 IonicContact NH2-OD2 2.85Å; R614-D618 PolarHBondContact NH2-OD2 2.91Å; R614-D618 PolarHBondContact O-N 3.17Å
615	S	93	Very high	90.2	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.9	-38.1	-172.1	-72.6	0	0	0	0	112.8	I595 A612 E613 E619 Y876	I595-S615 WeakPolarHBondContact CD1-OG 3.48Å; A612-S615 PolarHBondContact N-OG 3.49Å; A612-S615 WeakPolarHBondContact O-CB 3.27Å; A612-S615 PolarHBondContact O-N 3.29Å; A612-S615 PolarHBondContact O-OG 2.89Å; E613-S615 VanDerWaalsContact C-N 3.33Å; E613-S615 PolarHBondContact O-N 3.21Å; S615-E619 WeakPolarHBondContact O-CB 3.25Å; S615-E619 VanDerWaalsContact O-CG 3.32Å; S615-E619 WeakPolarHBondContact O-CG 3.39Å; S615-E619 PolarHBondContact O-N 2.97Å; S615-E619 VanDerWaalsContact O-N 3.07Å; S615-Y876 WeakPolarHBondContact CB-OH 3.19Å; S615-Y876 PolarHBondContact OG-OH 2.84Å
616	V	88.6	Confident	89.6	Confident	53 Å²	53	40.9 Å²	40.9	32%	0.321	22%	0.215	S	C	.	.	H	α-helix	trans	-65.5	-46.7	178.9	171.1	0	0	0	0	110.8	R614 I620 M871 V877 F881	R614-V616 VanDerWaalsContact C-N 3.27Å; R614-V616 PolarHBondContact O-N 3.01Å; V616-I620 HydrophobicContact CG1-CD1 3.95Å; V616-I620 WeakPolarHBondContact O-CD1 3.36Å; V616-I620 VanDerWaalsContact O-CG1 3.27Å; V616-I620 WeakPolarHBondContact O-CG1 3.25Å; V616-I620 PolarHBondContact O-N 2.93Å; V616-I620 VanDerWaalsContact O-N 3.14Å; V616-M871 HydrophobicContact CB-CE 4.13Å; V616-M871 HydrophobicContact CG1-CE 3.65Å; V616-M871 HydrophobicContact CG2-CE 4.23Å; V616-V877 HydrophobicContact CG2-CG1 4.44Å; V616-F881 HydrophobicContact CG2-CZ 4.42Å
617	E	86.4	Confident	89	Confident	72 Å²	72	40.4 Å²	40.4	34%	0.336	21%	0.212	S	C	.	.	H	α-helix	trans	-63.9	-47	178.5	-173	177.3	-168.9	0	0	111.2	R614 E619 I620 D621	R614-E617 PolarHBondContact O-N 2.76Å; E617-E619 PolarHBondContact O-N 3.36Å; E617-I620 PolarHBondContact O-N 3.32Å; E617-D621 PolarHBondContact O-N 2.85Å
618	D	88.8	Confident	88.5	Confident	49 Å²	49	41.5 Å²	41.5	26%	0.262	22%	0.215	S	C	.	.	H	α-helix	trans	-62.9	-38	-179.7	-74.5	-17.3	0	0	0	112.8	R614 R622	R614-D618 IonicContact CZ-OD1 3.5Å; R614-D618 IonicContact CZ-OD2 3.25Å; R614-D618 IonicContact NE-OD1 3.98Å; R614-D618 IonicContact NE-OD2 2.78Å; R614-D618 PolarHBondContact NE-OD2 3.24Å; R614-D618 IonicContact NH2-OD1 3.62Å; R614-D618 PolarHBondContact NH2-OD1 3.41Å; R614-D618 IonicContact NH2-OD2 2.85Å; R614-D618 PolarHBondContact NH2-OD2 2.91Å; R614-D618 PolarHBondContact O-N 3.17Å; D618-R622 WeakPolarHBondContact O-CB 3.4Å; D618-R622 PolarHBondContact O-N 3.01Å
619	E	88.6	Confident	88	Confident	7 Å²	7	43.1 Å²	43.1	3%	0.033	23%	0.228	C	C	.	.	H	α-helix	trans	-74.9	-35.2	-180	-73.8	-64.9	143.9	0	0	112.5	K599 S615 E617 R622 E623 M871 S875 Y876 V877	K599-E619 IonicContact NZ-OE1 2.9Å; S615-E619 WeakPolarHBondContact O-CB 3.25Å; S615-E619 VanDerWaalsContact O-CG 3.32Å; S615-E619 WeakPolarHBondContact O-CG 3.39Å; S615-E619 PolarHBondContact O-N 2.97Å; S615-E619 VanDerWaalsContact O-N 3.07Å; E617-E619 PolarHBondContact O-N 3.36Å; E619-R622 WeakPolarHBondContact O-CB 3.31Å; E619-R622 PolarHBondContact O-N 3.39Å; E619-R622 IonicContact OE1-NE 3.31Å; E619-R622 IonicContact OE2-CZ 3.34Å; E619-R622 IonicContact OE2-NE 3.58Å; E619-R622 PolarHBondContact OE2-NE 2.82Å; E619-R622 IonicContact OE2-NH2 3.58Å; E619-R622 PolarHBondContact OE2-NH2 3.48Å; E619-E623 PolarHBondContact O-N 3.4Å; E619-M871 HydrophobicContact CB-SD 3.86Å; E619-S875 PolarHBondContact OE2-OG 2.93Å; E619-Y876 HydrophobicContact CG-CE1 4Å; E619-Y876 VanDerWaalsContact OE1-CE1 3.22Å; E619-Y876 WeakPolarHBondContact OE1-CE1 3.27Å; E619-V877 HydrophobicContact CG-CG2 3.99Å
620	I	84.4	Confident	87.6	Confident	59 Å²	59	44 Å²	44	30%	0.303	23%	0.232	S	C	.	.	H	α-helix	trans	-63.6	-45.8	171.4	-69.3	167	0	0	0	110.2	V616 E617 R622 E623 S624 S870 M871	V616-I620 HydrophobicContact CG1-CD1 3.95Å; V616-I620 WeakPolarHBondContact O-CD1 3.36Å; V616-I620 VanDerWaalsContact O-CG1 3.27Å; V616-I620 WeakPolarHBondContact O-CG1 3.25Å; V616-I620 PolarHBondContact O-N 2.93Å; V616-I620 VanDerWaalsContact O-N 3.14Å; E617-I620 PolarHBondContact O-N 3.32Å; I620-R622 VanDerWaalsContact C-N 3.3Å; I620-R622 PolarHBondContact O-N 2.83Å; I620-E623 WeakPolarHBondContact O-CB 3.1Å; I620-E623 PolarHBondContact O-N 3.43Å; I620-E623 VanDerWaalsContact O-N 3.14Å; I620-S624 PolarHBondContact O-N 3.32Å; I620-S624 PolarHBondContact O-OG 3.45Å; I620-S870 WeakPolarHBondContact CG1-O 3.32Å; I620-M871 HydrophobicContact CD1-CE 4.24Å; I620-M871 HydrophobicContact CG1-CE 4.04Å
621	D	83.6	Confident	87.1	Confident	56 Å²	56	44.5 Å²	44.5	30%	0.299	24%	0.236	S	C	.	.	H	α-helix	trans	-62.9	-36.4	177.6	-82.9	-10.5	0	0	0	112.1	E617 N625	E617-D621 PolarHBondContact O-N 2.85Å; D621-N625 PolarHBondContact O-N 2.97Å; D621-N625 PolarHBondContact O-ND2 3.09Å
622	R	87.4	Confident	86.7	Confident	99 Å²	99	48 Å²	48	37%	0.374	26%	0.257	S	S	.	.	H	α-helix	trans	-62.3	-44.2	173.2	-177.7	176.6	75	111	-2.3	111.2	D618 E619 I620 S626 D874	D618-R622 WeakPolarHBondContact O-CB 3.4Å; D618-R622 PolarHBondContact O-N 3.01Å; E619-R622 WeakPolarHBondContact O-CB 3.31Å; E619-R622 PolarHBondContact O-N 3.39Å; E619-R622 IonicContact OE1-NE 3.31Å; E619-R622 IonicContact OE2-CZ 3.34Å; E619-R622 IonicContact OE2-NE 3.58Å; E619-R622 PolarHBondContact OE2-NE 2.82Å; E619-R622 IonicContact OE2-NH2 3.58Å; E619-R622 PolarHBondContact OE2-NH2 3.48Å; I620-R622 VanDerWaalsContact C-N 3.3Å; I620-R622 PolarHBondContact O-N 2.83Å; R622-S626 PolarHBondContact O-N 3.02Å; R622-D874 IonicContact CZ-OD1 3.3Å; R622-D874 IonicContact NH1-OD1 3.71Å; R622-D874 PolarHBondContact NH1-OD1 3.01Å; R622-D874 VanDerWaalsContact NH1-OD1 3.14Å; R622-D874 IonicContact NH1-OD2 3Å; R622-D874 PolarHBondContact NH1-OD2 3.18Å; R622-D874 IonicContact NH2-OD1 3.48Å; R622-D874 PolarHBondContact NH2-OD1 3.05Å
623	E	82.3	Confident	86.4	Confident	8 Å²	8	52.4 Å²	52.4	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-60.7	-54.9	179	-164.7	174.5	161.2	0	0	111.1	E619 I620 N625 S626 D627 S870 P872 S1217	E619-E623 PolarHBondContact O-N 3.4Å; I620-E623 WeakPolarHBondContact O-CB 3.1Å; I620-E623 PolarHBondContact O-N 3.43Å; I620-E623 VanDerWaalsContact O-N 3.14Å; E623-N625 VanDerWaalsContact C-N 3.3Å; E623-N625 PolarHBondContact O-N 2.88Å; E623-S626 WeakPolarHBondContact O-CB 3.27Å; E623-S626 PolarHBondContact O-N 2.75Å; E623-S626 PolarHBondContact O-OG 3.37Å; E623-D627 PolarHBondContact O-N 2.82Å; E623-S870 VanDerWaalsContact OE2-O 3.1Å; E623-P872 HydrophobicContact CB-CG 3.83Å; E623-P872 HydrophobicContact CG-CG 4.05Å; E623-P872 VanDerWaalsContact OE2-CD 3.32Å; E623-P872 WeakPolarHBondContact OE2-CD 3.49Å; E623-S1217 WeakPolarHBondContact OE1-CA 3.36Å; E623-S1217 WeakPolarHBondContact OE1-CB 3.02Å; E623-S1217 PolarHBondContact OE1-OG 3.24Å
624	S	81.8	Confident	86.2	Confident	20 Å²	20	48.8 Å²	48.8	14%	0.14	26%	0.262	C	S	.	.	H	α-helix	trans	-56.1	-41.9	-178.9	-67	0	0	0	0	112.6	I620 S626 D627	I620-S624 PolarHBondContact O-N 3.32Å; I620-S624 PolarHBondContact O-OG 3.45Å; S624-S626 VanDerWaalsContact C-N 3.29Å; S624-S626 PolarHBondContact O-N 2.76Å; S624-D627 PolarHBondContact O-N 3.22Å
625	N	83.8	Confident	86	Confident	112 Å²	112	48.5 Å²	48.5	60%	0.599	26%	0.261	S	S	*	.	H	α-helix	trans	-65	-32	178.4	-78.3	-55	0	0	0	113.2	D621 E623	D621-N625 PolarHBondContact O-N 2.97Å; D621-N625 PolarHBondContact O-ND2 3.09Å; E623-N625 VanDerWaalsContact C-N 3.3Å; E623-N625 PolarHBondContact O-N 2.88Å
626	S	80.4	Confident	85.9	Confident	55 Å²	55	50.6 Å²	50.6	39%	0.385	28%	0.279	S	S	.	.	H	α-helix	trans	-70.2	-35.4	-179.6	78.9	0	0	0	0	112.4	R622 E623 S624 S629	R622-S626 PolarHBondContact O-N 3.02Å; E623-S626 WeakPolarHBondContact O-CB 3.27Å; E623-S626 PolarHBondContact O-N 2.75Å; E623-S626 PolarHBondContact O-OG 3.37Å; S624-S626 VanDerWaalsContact C-N 3.29Å; S624-S626 PolarHBondContact O-N 2.76Å; S626-S629 PolarHBondContact O-OG 2.9Å
627	D	82.1	Confident	85.9	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.016	28%	0.279	C	S	.	.	H	α-helix	trans	-77.5	-22.2	-175.7	-74.7	-45.6	0	0	0	114.5	E623 S624 S629 T630 I631 S1215 S1217 F1220	E623-D627 PolarHBondContact O-N 2.82Å; S624-D627 PolarHBondContact O-N 3.22Å; D627-S629 PolarHBondContact O-N 3.17Å; D627-S629 VanDerWaalsContact O-N 3.08Å; D627-T630 PolarHBondContact O-N 3.42Å; D627-I631 HydrophobicContact CB-CD1 4.45Å; D627-I631 WeakPolarHBondContact O-CG1 3.06Å; D627-I631 PolarHBondContact O-N 3.02Å; D627-S1215 WeakPolarHBondContact OD1-CB 3.34Å; D627-S1215 PolarHBondContact OD1-OG 3.1Å; D627-S1217 WeakPolarHBondContact OD2-CB 3.49Å; D627-F1220 HydrophobicContact CB-CD2 4.25Å; D627-F1220 HydrophobicContact CB-CE2 4.12Å; D627-F1220 VanDerWaalsContact OD2-CD2 3.24Å; D627-F1220 WeakPolarHBondContact OD2-CD2 3.42Å
628	I	84.6	Confident	86	Confident	88 Å²	88	47.9 Å²	47.9	45%	0.451	26%	0.264	S	S	.	.	H	α-helix	trans	-50.2	-39.8	175.6	-66.2	172.6	0	0	0	110.6	I631 V632	I628-I631 PolarHBondContact O-N 3.2Å; I628-V632 HydrophobicContact CG2-CG2 4.37Å; I628-V632 VanDerWaalsContact O-CG2 3.25Å; I628-V632 WeakPolarHBondContact O-CG2 3.43Å; I628-V632 PolarHBondContact O-N 3.49Å
629	S	85.4	Confident	86	Confident	72 Å²	72	48.1 Å²	48.1	50%	0.503	26%	0.263	S	S	.	.	H	α-helix	trans	-62.5	-46.9	178.8	68.8	0	0	0	0	112.9	S626 D627 V632 I633	S626-S629 PolarHBondContact O-OG 2.9Å; D627-S629 PolarHBondContact O-N 3.17Å; D627-S629 VanDerWaalsContact O-N 3.08Å; S629-V632 PolarHBondContact O-N 3.15Å; S629-I633 WeakPolarHBondContact O-CG1 3.44Å; S629-I633 PolarHBondContact O-N 3.23Å; S629-I633 VanDerWaalsContact O-N 3.13Å
630	T	86.6	Confident	85.9	Confident	23 Å²	23	52.7 Å²	52.7	14%	0.141	29%	0.286	C	S	.	.	H	α-helix	trans	-64.5	-41.5	178.2	-55.8	0	0	0	0	111.3	D627 I633 S634 I1211	D627-T630 PolarHBondContact O-N 3.42Å; T630-I633 PolarHBondContact O-N 2.81Å; T630-S634 PolarHBondContact O-N 2.76Å; T630-I1211 HydrophobicContact CG2-CG2 4.09Å
631	I	85.3	Confident	86.2	Confident	26 Å²	26	52.8 Å²	52.8	13%	0.133	28%	0.283	C	S	.	.	H	α-helix	trans	-62.9	-44.8	177.7	-67.4	169.7	0	0	0	110.7	D627 I628 I633 S634 Y635 L1212 F1220	D627-I631 HydrophobicContact CB-CD1 4.45Å; D627-I631 WeakPolarHBondContact O-CG1 3.06Å; D627-I631 PolarHBondContact O-N 3.02Å; I628-I631 PolarHBondContact O-N 3.2Å; I631-I633 VanDerWaalsContact C-N 3.32Å; I631-I633 PolarHBondContact O-N 2.79Å; I631-S634 WeakPolarHBondContact O-CB 3.32Å; I631-S634 PolarHBondContact O-N 2.89Å; I631-S634 VanDerWaalsContact O-N 3.17Å; I631-Y635 HydrophobicContact CG2-CD2 3.67Å; I631-Y635 HydrophobicContact CG2-CE2 3.35Å; I631-Y635 WeakPolarHBondContact O-CD2 3.49Å; I631-Y635 PolarHBondContact O-N 3.46Å; I631-L1212 HydrophobicContact CG1-CD2 4.26Å; I631-F1220 HydrophobicContact CD1-CE1 4.02Å; I631-F1220 HydrophobicContact CD1-CZ 3.95Å
632	V	87.8	Confident	86.3	Confident	87 Å²	87	50.4 Å²	50.4	53%	0.527	27%	0.27	S	S	.	.	H	α-helix	trans	-61.3	-40.8	176.9	169.5	0	0	0	0	111.4	I628 S629 Y635 A636	I628-V632 HydrophobicContact CG2-CG2 4.37Å; I628-V632 VanDerWaalsContact O-CG2 3.25Å; I628-V632 WeakPolarHBondContact O-CG2 3.43Å; I628-V632 PolarHBondContact O-N 3.49Å; S629-V632 PolarHBondContact O-N 3.15Å; V632-Y635 PolarHBondContact O-N 3.1Å; V632-A636 WeakPolarHBondContact O-CB 3.32Å; V632-A636 PolarHBondContact O-N 3.46Å
633	I	89.3	Confident	86.2	Confident	92 Å²	92	46.5 Å²	46.5	47%	0.472	26%	0.258	S	S	.	.	H	α-helix	trans	-63.6	-42	175.4	-66.2	166.4	0	0	0	110.9	S629 T630 I631 A636 I637 I1211	S629-I633 WeakPolarHBondContact O-CG1 3.44Å; S629-I633 PolarHBondContact O-N 3.23Å; S629-I633 VanDerWaalsContact O-N 3.13Å; T630-I633 PolarHBondContact O-N 2.81Å; I631-I633 VanDerWaalsContact C-N 3.32Å; I631-I633 PolarHBondContact O-N 2.79Å; I633-A636 PolarHBondContact O-N 3.05Å; I633-I637 HydrophobicContact CG2-CD1 4.04Å; I633-I637 PolarHBondContact O-N 3.41Å; I633-I1211 HydrophobicContact CB-CG2 4.48Å; I633-I1211 HydrophobicContact CG2-CG2 4.11Å
634	S	88.4	Confident	86.3	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-58.6	-47.6	175.1	178.6	0	0	0	0	111.6	T630 I631 A636 I637 M638 G1208	T630-S634 PolarHBondContact O-N 2.76Å; I631-S634 WeakPolarHBondContact O-CB 3.32Å; I631-S634 PolarHBondContact O-N 2.89Å; I631-S634 VanDerWaalsContact O-N 3.17Å; S634-A636 PolarHBondContact O-N 3.15Å; S634-I637 PolarHBondContact O-N 2.94Å; S634-M638 WeakPolarHBondContact O-CG 3.37Å; S634-M638 PolarHBondContact O-N 3.02Å; S634-G1208 VanDerWaalsContact OG-C 3.26Å; S634-G1208 VanDerWaalsContact OG-CA 3.26Å; S634-G1208 WeakPolarHBondContact OG-CA 3.48Å; S634-G1208 PolarHBondContact OG-O 3.3Å
635	Y	88.1	Confident	86.3	Confident	34 Å²	34	52.1 Å²	52.1	13%	0.133	29%	0.291	C	S	.	.	H	α-helix	trans	-61.4	-42.8	175	-77.4	-63.9	0	0	0	112.7	I631 V632 I637 M638 F639 P698 F699 L702	I631-Y635 HydrophobicContact CG2-CD2 3.67Å; I631-Y635 HydrophobicContact CG2-CE2 3.35Å; I631-Y635 WeakPolarHBondContact O-CD2 3.49Å; I631-Y635 PolarHBondContact O-N 3.46Å; V632-Y635 PolarHBondContact O-N 3.1Å; Y635-I637 VanDerWaalsContact C-N 3.31Å; Y635-I637 PolarHBondContact O-N 3.33Å; Y635-M638 HydrophobicContact CD1-CE 3.38Å; Y635-M638 HydrophobicContact CE1-CE 3.68Å; Y635-M638 HydrophobicContact CG-CE 4.06Å; Y635-M638 PolarHBondContact O-N 3.34Å; Y635-F639 HydrophobicContact CD1-CE1 4.27Å; Y635-F639 HydrophobicContact CD1-CZ 4.24Å; Y635-F639 HydrophobicContact CG-CZ 4.47Å; Y635-F639 WeakPolarHBondContact O-CB 3.44Å; Y635-F639 VanDerWaalsContact O-CD1 3.31Å; Y635-F639 WeakPolarHBondContact O-CD1 3.47Å; Y635-F639 WeakPolarHBondContact O-CD2 3.34Å; Y635-F639 WeakPolarHBondContact O-CG 3.45Å; Y635-F639 PolarHBondContact O-N 2.77Å; Y635-P698 WeakPolarHBondContact OH-CB 3.42Å; Y635-F699 VanDerWaalsContact OH-CA 3.26Å; Y635-F699 WeakPolarHBondContact OH-CA 3.49Å; Y635-F699 WeakPolarHBondContact OH-CB 3.25Å; Y635-F699 PolarHBondContact OH-N 3.47Å; Y635-L702 HydrophobicContact CD1-CD2 3.62Å; Y635-L702 HydrophobicContact CE1-CD2 3.66Å
636	A	89.3	Confident	86.1	Confident	44 Å²	44	46.9 Å²	46.9	36%	0.364	26%	0.263	S	S	.	.	H	α-helix	trans	-59.2	-42.4	177.8	0	0	0	0	0	111.9	V632 I633 S634 F639 I640	V632-A636 WeakPolarHBondContact O-CB 3.32Å; V632-A636 PolarHBondContact O-N 3.46Å; I633-A636 PolarHBondContact O-N 3.05Å; S634-A636 PolarHBondContact O-N 3.15Å; A636-F639 PolarHBondContact O-N 3.23Å; A636-I640 VanDerWaalsContact O-CG1 3.28Å; A636-I640 WeakPolarHBondContact O-CG1 3.4Å; A636-I640 PolarHBondContact O-N 3.41Å
637	I	89.8	Confident	85.7	Confident	64 Å²	64	45.1 Å²	45.1	33%	0.328	25%	0.254	S	S	.	.	H	α-helix	trans	-65.6	-43.6	176.5	-72.8	164.9	0	0	0	111.2	I633 S634 Y635 F639 I640 Y641 I1211	I633-I637 HydrophobicContact CG2-CD1 4.04Å; I633-I637 PolarHBondContact O-N 3.41Å; S634-I637 PolarHBondContact O-N 2.94Å; Y635-I637 VanDerWaalsContact C-N 3.31Å; Y635-I637 PolarHBondContact O-N 3.33Å; I637-F639 VanDerWaalsContact C-N 3.31Å; I637-F639 PolarHBondContact O-N 2.83Å; I637-I640 PolarHBondContact O-N 3.18Å; I637-Y641 WeakPolarHBondContact O-CB 3.3Å; I637-Y641 PolarHBondContact O-N 3.42Å; I637-I1211 HydrophobicContact CD1-CD1 3.53Å; I637-I1211 HydrophobicContact CD1-CG1 3.59Å
638	M	87.3	Confident	85.3	Confident	4 Å²	4	48 Å²	48	2%	0.02	27%	0.267	C	S	.	.	H	α-helix	trans	-59.3	-42.6	174.3	-72	-171.2	-72.4	0	0	111.3	S634 Y635 Y641 I642 F699 L702	S634-M638 WeakPolarHBondContact O-CG 3.37Å; S634-M638 PolarHBondContact O-N 3.02Å; Y635-M638 HydrophobicContact CD1-CE 3.38Å; Y635-M638 HydrophobicContact CE1-CE 3.68Å; Y635-M638 HydrophobicContact CG-CE 4.06Å; Y635-M638 PolarHBondContact O-N 3.34Å; M638-Y641 PolarHBondContact O-N 3.5Å; M638-I642 WeakPolarHBondContact O-CD1 3.37Å; M638-I642 WeakPolarHBondContact O-CG1 3.44Å; M638-I642 PolarHBondContact O-N 2.96Å; M638-F699 HydrophobicContact CE-CD2 4.25Å; M638-F699 HydrophobicContact CE-CE2 4.45Å; M638-F699 HydrophobicContact SD-CE2 4.39Å; M638-L702 HydrophobicContact CE-CD2 3.83Å; M638-L702 HydrophobicContact SD-CD2 4.1Å
639	F	88.9	Confident	84.4	Confident	55 Å²	55	49.2 Å²	49.2	24%	0.241	27%	0.273	C	S	.	.	H	α-helix	trans	-66.1	-41.4	179.7	-63.7	-12.9	0	0	0	112.9	Y635 A636 I637 Y641 I642 S643 I668 L702	Y635-F639 HydrophobicContact CD1-CE1 4.27Å; Y635-F639 HydrophobicContact CD1-CZ 4.24Å; Y635-F639 HydrophobicContact CG-CZ 4.47Å; Y635-F639 WeakPolarHBondContact O-CB 3.44Å; Y635-F639 VanDerWaalsContact O-CD1 3.31Å; Y635-F639 WeakPolarHBondContact O-CD1 3.47Å; Y635-F639 WeakPolarHBondContact O-CD2 3.34Å; Y635-F639 WeakPolarHBondContact O-CG 3.45Å; Y635-F639 PolarHBondContact O-N 2.77Å; A636-F639 PolarHBondContact O-N 3.23Å; I637-F639 VanDerWaalsContact C-N 3.31Å; I637-F639 PolarHBondContact O-N 2.83Å; F639-Y641 VanDerWaalsContact C-N 3.35Å; F639-I642 PolarHBondContact O-N 3.18Å; F639-S643 WeakPolarHBondContact O-CB 3.36Å; F639-S643 PolarHBondContact O-N 3.19Å; F639-S643 PolarHBondContact O-OG 2.76Å; F639-I668 HydrophobicContact CB-CD1 3.72Å; F639-I668 HydrophobicContact CD1-CB 4.44Å; F639-I668 HydrophobicContact CD1-CD1 3.51Å; F639-I668 HydrophobicContact CD1-CG1 3.79Å; F639-I668 HydrophobicContact CD1-CG2 3.76Å; F639-I668 HydrophobicContact CD2-CG2 4.33Å; F639-I668 HydrophobicContact CE1-CB 4.4Å; F639-I668 HydrophobicContact CE1-CD1 4.29Å; F639-I668 HydrophobicContact CE1-CG1 4.12Å; F639-I668 HydrophobicContact CE1-CG2 3.38Å; F639-I668 HydrophobicContact CE2-CG2 3.99Å; F639-I668 HydrophobicContact CG-CD1 3.69Å; F639-I668 HydrophobicContact CG-CG1 4.41Å; F639-I668 HydrophobicContact CG-CG2 4.23Å; F639-I668 HydrophobicContact CZ-CG2 3.51Å; F639-L702 HydrophobicContact CE1-CD1 4.12Å; F639-L702 HydrophobicContact CE1-CD2 3.89Å
640	I	88.3	Confident	83.4	Confident	102 Å²	102	49.9 Å²	49.9	52%	0.523	27%	0.268	S	S	.	.	H	α-helix	trans	-61.4	-46.9	173.9	-69.7	166.1	0	0	0	109.7	A636 I637 S643 L644	A636-I640 VanDerWaalsContact O-CG1 3.28Å; A636-I640 WeakPolarHBondContact O-CG1 3.4Å; A636-I640 PolarHBondContact O-N 3.41Å; I637-I640 PolarHBondContact O-N 3.18Å; I640-S643 PolarHBondContact O-N 3.01Å; I640-L644 HydrophobicContact CG2-CD1 3.75Å; I640-L644 HydrophobicContact CG2-CG 4.46Å; I640-L644 WeakPolarHBondContact O-CB 3.42Å; I640-L644 VanDerWaalsContact O-CG 3.27Å; I640-L644 WeakPolarHBondContact O-CG 3.46Å; I640-L644 PolarHBondContact O-N 3.38Å; I640-L644 VanDerWaalsContact O-N 3.09Å
641	Y	88.9	Confident	82.4	Confident	62 Å²	62	51.1 Å²	51.1	24%	0.243	28%	0.278	C	S	.	.	H	α-helix	trans	-58.9	-50.3	177.8	175.5	-88.2	0	0	0	111.7	I637 M638 F639 S643 L644 A645 F710 S1199 L1203 T1204	I637-Y641 WeakPolarHBondContact O-CB 3.3Å; I637-Y641 PolarHBondContact O-N 3.42Å; M638-Y641 PolarHBondContact O-N 3.5Å; F639-Y641 VanDerWaalsContact C-N 3.35Å; Y641-S643 VanDerWaalsContact C-N 3.33Å; Y641-S643 PolarHBondContact O-N 3.32Å; Y641-L644 PolarHBondContact O-N 3Å; Y641-A645 HydrophobicContact CD1-CB 4.23Å; Y641-A645 HydrophobicContact CE1-CB 3.77Å; Y641-A645 HydrophobicContact CE2-CB 4.14Å; Y641-A645 WeakPolarHBondContact O-CB 3.35Å; Y641-A645 PolarHBondContact O-N 2.93Å; Y641-F710 HydrophobicContact CE1-CZ 4.24Å; Y641-S1199 PolarHBondContact OH-O 2.64Å; Y641-S1199 PolarHBondContact OH-OG 3.22Å; Y641-L1203 HydrophobicContact CE2-CB 4.25Å; Y641-L1203 VanDerWaalsContact OH-CB 3.26Å; Y641-L1203 WeakPolarHBondContact OH-CB 3.48Å; Y641-T1204 HydrophobicContact CD1-CG2 3.54Å; Y641-T1204 HydrophobicContact CE1-CG2 3.3Å
642	I	86.6	Confident	81.5	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-57.9	-47.3	-179.4	-68.3	159.6	0	0	0	110.7	M638 F639 L644 A645 L646 I668 V706 F710 T1204	M638-I642 WeakPolarHBondContact O-CD1 3.37Å; M638-I642 WeakPolarHBondContact O-CG1 3.44Å; M638-I642 PolarHBondContact O-N 2.96Å; F639-I642 PolarHBondContact O-N 3.18Å; I642-L644 VanDerWaalsContact C-N 3.27Å; I642-L644 PolarHBondContact O-N 3.44Å; I642-A645 PolarHBondContact O-N 3.48Å; I642-L646 HydrophobicContact CG2-CD1 3.74Å; I642-L646 HydrophobicContact CG2-CG 4.49Å; I642-L646 WeakPolarHBondContact O-CD1 3.35Å; I642-L646 VanDerWaalsContact O-CG 3.3Å; I642-L646 WeakPolarHBondContact O-CG 3.1Å; I642-L646 PolarHBondContact O-N 2.86Å; I642-I668 HydrophobicContact CD1-CD1 4.45Å; I642-I668 HydrophobicContact CD1-CG1 4.3Å; I642-I668 HydrophobicContact CG2-CD1 4.4Å; I642-V706 HydrophobicContact CD1-CB 4.36Å; I642-V706 HydrophobicContact CD1-CG1 3.88Å; I642-V706 HydrophobicContact CD1-CG2 3.49Å; I642-V706 VanDerWaalsContact CD1-CG2 3.49Å; I642-V706 HydrophobicContact CG1-CG1 3.78Å; I642-V706 HydrophobicContact CG1-CG2 4.31Å; I642-F710 HydrophobicContact CB-CE2 4.48Å; I642-F710 HydrophobicContact CG1-CE2 4.28Å; I642-F710 HydrophobicContact CG2-CE2 4.16Å; I642-T1204 HydrophobicContact CG1-CG2 4.36Å
643	S	85.4	Confident	80.6	Confident	17 Å²	17	66 Å²	66	12%	0.119	33%	0.328	C	S	.	.	H	α-helix	trans	-63.7	-32.3	-178.2	-58.5	0	0	0	0	112.9	F639 I640 Y641	F639-S643 WeakPolarHBondContact O-CB 3.36Å; F639-S643 PolarHBondContact O-N 3.19Å; F639-S643 PolarHBondContact O-OG 2.76Å; I640-S643 PolarHBondContact O-N 3.01Å; Y641-S643 VanDerWaalsContact C-N 3.33Å; Y641-S643 PolarHBondContact O-N 3.32Å
644	L	83.5	Confident	79.8	Confident	113 Å²	113	65.7 Å²	65.7	59%	0.592	32%	0.321	S	S	*	.	H	α-helix	trans	-85.8	-42	178.9	-66.7	175	0	0	0	112.7	I640 Y641 I642 G647	I640-L644 HydrophobicContact CG2-CD1 3.75Å; I640-L644 HydrophobicContact CG2-CG 4.46Å; I640-L644 WeakPolarHBondContact O-CB 3.42Å; I640-L644 VanDerWaalsContact O-CG 3.27Å; I640-L644 WeakPolarHBondContact O-CG 3.46Å; I640-L644 PolarHBondContact O-N 3.38Å; I640-L644 VanDerWaalsContact O-N 3.09Å; Y641-L644 PolarHBondContact O-N 3Å; I642-L644 VanDerWaalsContact C-N 3.27Å; I642-L644 PolarHBondContact O-N 3.44Å; L644-G647 PolarHBondContact O-N 3.36Å
645	A	82.7	Confident	79.2	Confident	33 Å²	33	68.8 Å²	68.8	27%	0.273	34%	0.337	S	S	.	.	H	α-helix	trans	-76.2	-22.3	-172.6	0	0	0	0	0	113.7	Y641 I642 G647 F710	Y641-A645 HydrophobicContact CD1-CB 4.23Å; Y641-A645 HydrophobicContact CE1-CB 3.77Å; Y641-A645 HydrophobicContact CE2-CB 4.14Å; Y641-A645 WeakPolarHBondContact O-CB 3.35Å; Y641-A645 PolarHBondContact O-N 2.93Å; I642-A645 PolarHBondContact O-N 3.48Å; A645-G647 VanDerWaalsContact C-N 3.28Å; A645-G647 PolarHBondContact O-N 3.42Å; A645-F710 HydrophobicContact CB-CE1 3.99Å; A645-F710 HydrophobicContact CB-CZ 3.87Å
646	L	80.1	Confident	78.7	Confident	3 Å²	3	72 Å²	72	2%	0.016	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-23.5	172.8	-75.5	166.9	0	0	0	113	I642 K660 I709 F710 V713 Q717	I642-L646 HydrophobicContact CG2-CD1 3.74Å; I642-L646 HydrophobicContact CG2-CG 4.49Å; I642-L646 WeakPolarHBondContact O-CD1 3.35Å; I642-L646 VanDerWaalsContact O-CG 3.3Å; I642-L646 WeakPolarHBondContact O-CG 3.1Å; I642-L646 PolarHBondContact O-N 2.86Å; L646-K660 HydrophobicContact CB-CB 4.01Å; L646-I709 HydrophobicContact CD1-CG2 4.27Å; L646-I709 HydrophobicContact CD2-CG2 4.18Å; L646-F710 HydrophobicContact CD2-CD1 4.22Å; L646-F710 HydrophobicContact CD2-CD2 3.9Å; L646-F710 HydrophobicContact CD2-CE1 4.24Å; L646-F710 HydrophobicContact CD2-CE2 3.95Å; L646-F710 HydrophobicContact CD2-CG 4.06Å; L646-F710 HydrophobicContact CD2-CZ 4.12Å; L646-F710 HydrophobicContact CG-CD2 4.4Å; L646-F710 HydrophobicContact CG-CE1 4.41Å; L646-F710 HydrophobicContact CG-CE2 3.94Å; L646-F710 HydrophobicContact CG-CZ 3.94Å; L646-V713 HydrophobicContact CD2-CB 3.97Å; L646-V713 HydrophobicContact CD2-CG1 4.01Å; L646-V713 HydrophobicContact CD2-CG2 4.15Å; L646-Q717 PolarHBondContact O-NE2 3.37Å
647	G	72.3	Confident	78.1	Confident	18 Å²	18	70.1 Å²	70.1	19%	0.186	34%	0.34	C	S	.	.	S	Bend	trans	-84.2	139.8	179.5	0	0	0	0	0	112.7	L644 A645	L644-G647 PolarHBondContact O-N 3.36Å; A645-G647 VanDerWaalsContact C-N 3.28Å; A645-G647 PolarHBondContact O-N 3.42Å
648	H	71.8	Confident	77.5	Confident	62 Å²	62	67.6 Å²	67.6	29%	0.287	33%	0.327	S	S	.	.			trans	-95.8	116	172	-152.2	73.4	0	0	0	111	H650 G820	H648-H650 AromaticContact CD2-CD2 3.66Å; H648-H650 AromaticContact CD2-CE1 3.09Å; H648-H650 PolarHBondContact CD2-CE1 2.96Å; H648-H650 AromaticContact CD2-CG 3.8Å; H648-H650 AromaticContact CD2-ND1 3.46Å; H648-H650 PolarHBondContact CD2-ND1 3.33Å; H648-H650 AromaticContact CD2-NE2 3.22Å; H648-H650 PolarHBondContact CD2-NE2 2.96Å; H648-H650 AromaticContact CG-NE2 3.78Å; H648-H650 AromaticContact NE2-CE1 3.79Å; H648-H650 PolarHBondContact O-N 3.25Å; H648-H650 VanDerWaalsContact O-N 3.14Å; H648-G820 WeakPolarHBondContact CE1-CA 3.21Å
649	I	66.3	Low	77.3	Confident	114 Å²	114	68 Å²	68	59%	0.585	33%	0.33	S	S	*	.			trans	-84.3	90.6	179.8	-54.1	172.9	0	0	0	109	L655	I649-L655 HydrophobicContact CD1-CD1 4.43Å; I649-L655 HydrophobicContact CG1-CD1 4.41Å; I649-L655 HydrophobicContact CG2-CD1 4.18Å
650	H	65.3	Low	77.2	Confident	87 Å²	87	65.5 Å²	65.5	40%	0.403	32%	0.319	S	S	.	.	S	Bend	trans	-82.5	-36.1	172.1	-68.7	-71.1	0	0	0	112.5	H648 T818	H648-H650 AromaticContact CD2-CD2 3.66Å; H648-H650 AromaticContact CD2-CE1 3.09Å; H648-H650 PolarHBondContact CD2-CE1 2.96Å; H648-H650 AromaticContact CD2-CG 3.8Å; H648-H650 AromaticContact CD2-ND1 3.46Å; H648-H650 PolarHBondContact CD2-ND1 3.33Å; H648-H650 AromaticContact CD2-NE2 3.22Å; H648-H650 PolarHBondContact CD2-NE2 2.96Å; H648-H650 AromaticContact CG-NE2 3.78Å; H648-H650 AromaticContact NE2-CE1 3.79Å; H648-H650 PolarHBondContact O-N 3.25Å; H648-H650 VanDerWaalsContact O-N 3.14Å; H650-T818 PolarHBondContact ND1-OG1 3.31Å
651	S	65.8	Low	77.1	Confident	49 Å²	49	62.5 Å²	62.5	34%	0.343	30%	0.304	S	S	.	.			trans	-156.6	139.1	-178.2	179.1	0	0	0	0	112.1	R653 R654 L655	S651-R653 PolarHBondContact O-N 3.14Å; S651-R653 VanDerWaalsContact O-N 3.14Å; S651-R654 PolarHBondContact O-N 3.47Å; S651-R654 VanDerWaalsContact O-N 3.15Å; S651-L655 PolarHBondContact O-N 3.02Å
652	F	66.8	Low	77.1	Confident	186 Å²	186	61.7 Å²	61.7	82%	0.816	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.5	179.4	-81.6	-82.7	0	0	0	113.8
653	R	67.1	Low	77.3	Confident	238 Å²	238	61.6 Å²	61.6	90%	0.898	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-24.8	178.6	-90.8	-175.8	172.5	-179.2	-1.8	114.4	S651	S651-R653 PolarHBondContact O-N 3.14Å; S651-R653 VanDerWaalsContact O-N 3.14Å
654	R	73.3	Confident	77.4	Confident	87 Å²	87	60.8 Å²	60.8	33%	0.328	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	3	179.1	-163.5	177.3	162.8	142.6	10.5	112.4	S651 L656 V657 D658 N800	S651-R654 PolarHBondContact O-N 3.47Å; S651-R654 VanDerWaalsContact O-N 3.15Å; R654-L656 VanDerWaalsContact C-N 3.27Å; R654-L656 PolarHBondContact O-N 2.9Å; R654-L656 VanDerWaalsContact O-N 3.13Å; R654-V657 HydrophobicContact CG-CB 3.9Å; R654-V657 HydrophobicContact CG-CG1 4.43Å; R654-V657 HydrophobicContact CG-CG2 4.38Å; R654-V657 PolarHBondContact O-N 2.99Å; R654-D658 WeakPolarHBondContact CD-OD2 3.29Å; R654-D658 VanDerWaalsContact CG-OD2 3.23Å; R654-D658 WeakPolarHBondContact CG-OD2 3.21Å; R654-D658 IonicContact CZ-OD1 2.69Å; R654-D658 VanDerWaalsContact NE-CG 3.3Å; R654-D658 IonicContact NE-OD1 3.4Å; R654-D658 PolarHBondContact NE-OD1 3.36Å; R654-D658 IonicContact NE-OD2 3.16Å; R654-D658 PolarHBondContact NE-OD2 3.32Å; R654-D658 IonicContact NH2-OD1 3.61Å; R654-D658 PolarHBondContact NH2-OD1 2.94Å; R654-D658 PolarHBondContact O-N 3.26Å; R654-N800 PolarHBondContact NH2-OD1 2.77Å
655	L	75.2	Confident	77.8	Confident	68 Å²	68	59.5 Å²	59.5	36%	0.356	29%	0.294	S	S	.	.	H	α-helix	trans	-50.7	-41.4	-175.3	-175.4	135.5	0	0	0	113.7	I649 S651 S659	I649-L655 HydrophobicContact CD1-CD1 4.43Å; I649-L655 HydrophobicContact CG1-CD1 4.41Å; I649-L655 HydrophobicContact CG2-CD1 4.18Å; S651-L655 PolarHBondContact O-N 3.02Å; L655-S659 VanDerWaalsContact O-CB 3.23Å; L655-S659 WeakPolarHBondContact O-CB 3.4Å; L655-S659 PolarHBondContact O-N 3.24Å
656	L	77.1	Confident	78.2	Confident	102 Å²	102	58.9 Å²	58.9	53%	0.534	29%	0.289	S	S	.	.	H	α-helix	trans	-81.6	-9.9	-179.6	-66	170.8	0	0	0	114.8	R654 S659 L802 D803	R654-L656 VanDerWaalsContact C-N 3.27Å; R654-L656 PolarHBondContact O-N 2.9Å; R654-L656 VanDerWaalsContact O-N 3.13Å; L656-S659 PolarHBondContact O-OG 3.25Å; L656-L802 HydrophobicContact CB-CD2 3.75Å; L656-D803 PolarHBondContact O-N 3.44Å
657	V	77.3	Confident	78.7	Confident	3 Å²	3	58.9 Å²	58.9	2%	0.018	29%	0.289	C	S	.	.	H	α-helix	trans	-90.5	-46	173.7	177.3	0	0	0	0	109.7	R654 S659 R796 L802 L810	R654-V657 HydrophobicContact CG-CB 3.9Å; R654-V657 HydrophobicContact CG-CG1 4.43Å; R654-V657 HydrophobicContact CG-CG2 4.38Å; R654-V657 PolarHBondContact O-N 2.99Å; V657-S659 VanDerWaalsContact C-N 3.34Å; V657-R796 PolarHBondContact O-NH1 3.43Å; V657-R796 PolarHBondContact O-NH2 3.3Å; V657-L802 HydrophobicContact CG2-CD2 3.75Å; V657-L810 HydrophobicContact CG2-CD1 3.67Å
658	D	77.3	Confident	79.6	Confident	11 Å²	11	58.5 Å²	58.5	6%	0.059	28%	0.283	C	S	.	.	H	α-helix	trans	-86.2	-6.3	-177.4	-62.4	-28.1	0	0	0	113	R654 Q797	R654-D658 WeakPolarHBondContact CD-OD2 3.29Å; R654-D658 VanDerWaalsContact CG-OD2 3.23Å; R654-D658 WeakPolarHBondContact CG-OD2 3.21Å; R654-D658 IonicContact CZ-OD1 2.69Å; R654-D658 VanDerWaalsContact NE-CG 3.3Å; R654-D658 IonicContact NE-OD1 3.4Å; R654-D658 PolarHBondContact NE-OD1 3.36Å; R654-D658 IonicContact NE-OD2 3.16Å; R654-D658 PolarHBondContact NE-OD2 3.32Å; R654-D658 IonicContact NH2-OD1 3.61Å; R654-D658 PolarHBondContact NH2-OD1 2.94Å; R654-D658 PolarHBondContact O-N 3.26Å; D658-Q797 PolarHBondContact OD1-NE2 2.95Å; D658-Q797 VanDerWaalsContact OD1-NE2 3.12Å
659	S	82.8	Confident	80.7	Confident	13 Å²	13	60.3 Å²	60.3	9%	0.091	29%	0.294	C	S	.	.			trans	-59.5	144.5	168.7	63.8	0	0	0	0	110.6	L655 L656 V657 R796 D803	L655-S659 VanDerWaalsContact O-CB 3.23Å; L655-S659 WeakPolarHBondContact O-CB 3.4Å; L655-S659 PolarHBondContact O-N 3.24Å; L656-S659 PolarHBondContact O-OG 3.25Å; V657-S659 VanDerWaalsContact C-N 3.34Å; S659-R796 PolarHBondContact O-NH2 2.64Å; S659-D803 VanDerWaalsContact O-CG 3.25Å; S659-D803 VanDerWaalsContact O-OD2 3.05Å; S659-D803 VanDerWaalsContact OG-CB 3.27Å; S659-D803 WeakPolarHBondContact OG-CB 3.18Å; S659-D803 PolarHBondContact OG-OD2 3.31Å
660	K	86.5	Confident	82	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.009	27%	0.269	C	S	.	.			trans	-116.8	35.1	178	-61.4	-64.4	-176.9	-176.1	0	110.7	L646 L663 G664 D793	L646-K660 HydrophobicContact CB-CB 4.01Å; K660-L663 HydrophobicContact CB-CB 4.36Å; K660-L663 HydrophobicContact CD-CD2 4.41Å; K660-L663 PolarHBondContact O-N 3.26Å; K660-G664 PolarHBondContact O-N 3.49Å; K660-D793 WeakPolarHBondContact CD-OD2 3.41Å; K660-D793 WeakPolarHBondContact CE-OD2 3.34Å; K660-D793 IonicContact NZ-OD1 2.76Å; K660-D793 IonicContact NZ-OD2 2.81Å; K660-D793 PolarHBondContact NZ-OD2 2.01Å
661	I	88.1	Confident	83.4	Confident	39 Å²	39	51.4 Å²	51.4	20%	0.2	25%	0.251	C	S	.	.	H	α-helix	trans	-66.5	-43.8	-176.9	-65.5	167.1	0	0	0	109.5	L663 G664 I665 D803 I804	I661-L663 VanDerWaalsContact C-N 3.3Å; I661-L663 PolarHBondContact O-N 2.9Å; I661-G664 PolarHBondContact O-N 3.5Å; I661-I665 HydrophobicContact CG2-CD1 3.83Å; I661-I665 HydrophobicContact CG2-CG1 4.42Å; I661-I665 WeakPolarHBondContact O-CG1 3.44Å; I661-I665 PolarHBondContact O-N 2.74Å; I661-D803 PolarHBondContact N-OD2 3.35Å; I661-I804 HydrophobicContact CD1-CD1 4.36Å; I661-I804 HydrophobicContact CG2-CD1 4.2Å
662	S	88.4	Confident	84.6	Confident	45 Å²	45	52.5 Å²	52.5	32%	0.315	25%	0.252	S	S	.	.	H	α-helix	trans	-60.6	-41.6	177.8	67.6	0	0	0	0	112	A666 D803	S662-A666 WeakPolarHBondContact O-CB 3.35Å; S662-A666 PolarHBondContact O-N 2.96Å; S662-D803 VanDerWaalsContact CB-OD1 3.24Å; S662-D803 WeakPolarHBondContact CB-OD1 3.29Å; S662-D803 PolarHBondContact N-OD2 2.89Å; S662-D803 PolarHBondContact OG-OD1 3.5Å
663	L	89.6	Confident	86	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-68.6	-38.9	177.8	-170.1	68.2	0	0	0	112	K660 I661 A666 G667 V713 F786 L789 L790	K660-L663 HydrophobicContact CB-CB 4.36Å; K660-L663 HydrophobicContact CD-CD2 4.41Å; K660-L663 PolarHBondContact O-N 3.26Å; I661-L663 VanDerWaalsContact C-N 3.3Å; I661-L663 PolarHBondContact O-N 2.9Å; L663-A666 PolarHBondContact O-N 3.35Å; L663-G667 PolarHBondContact O-N 2.87Å; L663-V713 HydrophobicContact CD2-CG2 3.82Å; L663-F786 HydrophobicContact CD1-CD2 4.41Å; L663-F786 HydrophobicContact CD1-CE2 3.75Å; L663-F786 HydrophobicContact CD1-CZ 4Å; L663-F786 HydrophobicContact CD2-CZ 4.09Å; L663-F786 HydrophobicContact CG-CE2 3.83Å; L663-F786 HydrophobicContact CG-CZ 3.9Å; L663-L789 HydrophobicContact CD1-CB 4.22Å; L663-L790 HydrophobicContact CD1-CB 4.45Å; L663-L790 HydrophobicContact CD2-CD1 3.81Å
664	G	89.2	Confident	87.4	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-47.3	174.8	0	0	0	0	0	112.6	K660 I661 A666 G667 I668	K660-G664 PolarHBondContact O-N 3.49Å; I661-G664 PolarHBondContact O-N 3.5Å; G664-A666 VanDerWaalsContact C-N 3.33Å; G664-A666 PolarHBondContact O-N 3.28Å; G664-G667 PolarHBondContact O-N 3.49Å; G664-I668 WeakPolarHBondContact O-CD1 3.48Å; G664-I668 WeakPolarHBondContact O-CG1 3.07Å; G664-I668 PolarHBondContact O-N 3.38Å
665	I	90.3	Very high	88.4	Confident	86 Å²	86	30.3 Å²	30.3	44%	0.441	17%	0.17	S	C	.	.	H	α-helix	trans	-60.7	-44.3	175.3	-66.8	168.5	0	0	0	110.6	I661 G667 I668 L669	I661-I665 HydrophobicContact CG2-CD1 3.83Å; I661-I665 HydrophobicContact CG2-CG1 4.42Å; I661-I665 WeakPolarHBondContact O-CG1 3.44Å; I661-I665 PolarHBondContact O-N 2.74Å; I665-G667 VanDerWaalsContact C-N 3.33Å; I665-G667 PolarHBondContact O-N 3.39Å; I665-I668 PolarHBondContact O-N 3.25Å; I665-L669 HydrophobicContact CG2-CD1 4.18Å; I665-L669 HydrophobicContact CG2-CG 4.47Å; I665-L669 WeakPolarHBondContact O-CG 3.24Å; I665-L669 PolarHBondContact O-N 3.43Å
666	A	91.6	Very high	89.4	Confident	20 Å²	20	28.6 Å²	28.6	17%	0.165	16%	0.163	C	C	.	.	H	α-helix	trans	-61.8	-40.9	176.7	0	0	0	0	0	112.7	S662 L663 G664 L669 I670 L789	S662-A666 WeakPolarHBondContact O-CB 3.35Å; S662-A666 PolarHBondContact O-N 2.96Å; L663-A666 PolarHBondContact O-N 3.35Å; G664-A666 VanDerWaalsContact C-N 3.33Å; G664-A666 PolarHBondContact O-N 3.28Å; A666-L669 PolarHBondContact O-N 2.83Å; A666-I670 VanDerWaalsContact O-CG1 3.3Å; A666-I670 WeakPolarHBondContact O-CG1 3.44Å; A666-I670 PolarHBondContact O-N 3.1Å; A666-L789 HydrophobicContact CB-CD1 3.66Å
667	G	91.6	Very high	90.3	Very high	2 Å²	2	23.8 Å²	23.8	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-58	-46.1	173.7	0	0	0	0	0	112.6	L663 G664 I665 L669 I670 V671	L663-G667 PolarHBondContact O-N 2.87Å; G664-G667 PolarHBondContact O-N 3.49Å; I665-G667 VanDerWaalsContact C-N 3.33Å; I665-G667 PolarHBondContact O-N 3.39Å; G667-L669 PolarHBondContact O-N 2.96Å; G667-I670 WeakPolarHBondContact O-CB 3.47Å; G667-I670 PolarHBondContact O-N 3.03Å; G667-V671 WeakPolarHBondContact O-CG2 3.27Å; G667-V671 PolarHBondContact O-N 2.97Å; G667-V671 VanDerWaalsContact O-N 3.11Å
668	I	91.4	Very high	91.2	Very high	11 Å²	11	23.7 Å²	23.7	6%	0.056	14%	0.138	C	C	.	.	H	α-helix	trans	-61.6	-45	176.3	-67.1	157	0	0	0	111.3	F639 I642 G664 I665 I670 V671 L672	F639-I668 HydrophobicContact CB-CD1 3.72Å; F639-I668 HydrophobicContact CD1-CB 4.44Å; F639-I668 HydrophobicContact CD1-CD1 3.51Å; F639-I668 HydrophobicContact CD1-CG1 3.79Å; F639-I668 HydrophobicContact CD1-CG2 3.76Å; F639-I668 HydrophobicContact CD2-CG2 4.33Å; F639-I668 HydrophobicContact CE1-CB 4.4Å; F639-I668 HydrophobicContact CE1-CD1 4.29Å; F639-I668 HydrophobicContact CE1-CG1 4.12Å; F639-I668 HydrophobicContact CE1-CG2 3.38Å; F639-I668 HydrophobicContact CE2-CG2 3.99Å; F639-I668 HydrophobicContact CG-CD1 3.69Å; F639-I668 HydrophobicContact CG-CG1 4.41Å; F639-I668 HydrophobicContact CG-CG2 4.23Å; F639-I668 HydrophobicContact CZ-CG2 3.51Å; I642-I668 HydrophobicContact CD1-CD1 4.45Å; I642-I668 HydrophobicContact CD1-CG1 4.3Å; I642-I668 HydrophobicContact CG2-CD1 4.4Å; G664-I668 WeakPolarHBondContact O-CD1 3.48Å; G664-I668 WeakPolarHBondContact O-CG1 3.07Å; G664-I668 PolarHBondContact O-N 3.38Å; I665-I668 PolarHBondContact O-N 3.25Å; I668-I670 VanDerWaalsContact C-N 3.27Å; I668-I670 PolarHBondContact O-N 3.19Å; I668-V671 PolarHBondContact O-N 2.94Å; I668-L672 HydrophobicContact CG2-CD1 4.11Å; I668-L672 HydrophobicContact CG2-CG 4.43Å; I668-L672 WeakPolarHBondContact O-CG 3.35Å; I668-L672 PolarHBondContact O-N 3.23Å
669	L	92.9	Very high	92	Very high	100 Å²	100	24.3 Å²	24.3	52%	0.524	14%	0.141	S	C	.	.	H	α-helix	trans	-62.8	-34.7	178.2	-70.9	174.7	0	0	0	112.3	I665 A666 G667 L672 S673	I665-L669 HydrophobicContact CG2-CD1 4.18Å; I665-L669 HydrophobicContact CG2-CG 4.47Å; I665-L669 WeakPolarHBondContact O-CG 3.24Å; I665-L669 PolarHBondContact O-N 3.43Å; A666-L669 PolarHBondContact O-N 2.83Å; G667-L669 PolarHBondContact O-N 2.96Å; L669-L672 PolarHBondContact O-N 3.36Å; L669-S673 VanDerWaalsContact O-CB 3.26Å; L669-S673 WeakPolarHBondContact O-CB 3.43Å; L669-S673 PolarHBondContact O-N 3.45Å; L669-S673 PolarHBondContact O-OG 3.13Å
670	I	94.5	Very high	92.6	Very high	12 Å²	12	23.7 Å²	23.7	6%	0.062	14%	0.137	C	C	.	.	H	α-helix	trans	-64.3	-46.5	174.9	-73.1	166.8	0	0	0	110.8	A666 G667 I668 S673 S674 L781 Q782 C785 F786 L789	A666-I670 VanDerWaalsContact O-CG1 3.3Å; A666-I670 WeakPolarHBondContact O-CG1 3.44Å; A666-I670 PolarHBondContact O-N 3.1Å; G667-I670 WeakPolarHBondContact O-CB 3.47Å; G667-I670 PolarHBondContact O-N 3.03Å; I668-I670 VanDerWaalsContact C-N 3.27Å; I668-I670 PolarHBondContact O-N 3.19Å; I670-S673 WeakPolarHBondContact O-CB 3.34Å; I670-S673 PolarHBondContact O-N 3.08Å; I670-S674 PolarHBondContact O-N 2.96Å; I670-L781 HydrophobicContact CG2-CB 3.55Å; I670-L781 HydrophobicContact CG2-CD1 4.36Å; I670-Q782 HydrophobicContact CG2-CG 4.42Å; I670-C785 HydrophobicContact CD1-CB 4.02Å; I670-C785 HydrophobicContact CG1-CB 4.47Å; I670-F786 HydrophobicContact CD1-CB 3.78Å; I670-F786 HydrophobicContact CD1-CD2 4.22Å; I670-L789 HydrophobicContact CD1-CD1 4.19Å
671	V	93.8	Very high	93.1	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	15%	0.151	C	C	.	.	H	α-helix	trans	-61	-45.4	176.1	170.1	0	0	0	0	111.2	G667 I668 S673 S674 V675 V701 L702	G667-V671 WeakPolarHBondContact O-CG2 3.27Å; G667-V671 PolarHBondContact O-N 2.97Å; G667-V671 VanDerWaalsContact O-N 3.11Å; I668-V671 PolarHBondContact O-N 2.94Å; V671-S673 VanDerWaalsContact C-N 3.26Å; V671-S673 PolarHBondContact O-N 3.39Å; V671-S674 PolarHBondContact O-N 3.25Å; V671-S674 PolarHBondContact O-OG 2.81Å; V671-V675 WeakPolarHBondContact O-CG2 2.91Å; V671-V675 PolarHBondContact O-N 3.38Å; V671-V701 HydrophobicContact CG1-CB 4.48Å; V671-V701 HydrophobicContact CG1-CG1 4.12Å; V671-L702 HydrophobicContact CB-CD1 4.38Å; V671-L702 HydrophobicContact CG1-CB 4.08Å; V671-L702 HydrophobicContact CG1-CD1 3.9Å
672	L	92.7	Very high	93.4	Very high	73 Å²	73	26 Å²	26	38%	0.382	15%	0.147	S	C	.	.	H	α-helix	trans	-65.9	-33.1	177.6	-66	177.1	0	0	0	111.9	I668 L669 S676	I668-L672 HydrophobicContact CG2-CD1 4.11Å; I668-L672 HydrophobicContact CG2-CG 4.43Å; I668-L672 WeakPolarHBondContact O-CG 3.35Å; I668-L672 PolarHBondContact O-N 3.23Å; L669-L672 PolarHBondContact O-N 3.36Å; L672-S676 WeakPolarHBondContact O-CB 3.46Å; L672-S676 PolarHBondContact O-N 2.97Å
673	S	95.1	Very high	93.7	Very high	37 Å²	37	24 Å²	24	26%	0.259	13%	0.134	S	C	.	.	H	α-helix	trans	-67.7	-36	176	-62.6	0	0	0	0	112.5	L669 I670 V671 S677	L669-S673 VanDerWaalsContact O-CB 3.26Å; L669-S673 WeakPolarHBondContact O-CB 3.43Å; L669-S673 PolarHBondContact O-N 3.45Å; L669-S673 PolarHBondContact O-OG 3.13Å; I670-S673 WeakPolarHBondContact O-CB 3.34Å; I670-S673 PolarHBondContact O-N 3.08Å; V671-S673 VanDerWaalsContact C-N 3.26Å; V671-S673 PolarHBondContact O-N 3.39Å; S673-S677 VanDerWaalsContact O-CB 3.3Å; S673-S677 WeakPolarHBondContact O-CB 3.42Å; S673-S677 PolarHBondContact O-N 3Å; S673-S677 PolarHBondContact O-OG 2.93Å
674	S	96.3	Very high	94	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-68.1	-42.6	176.4	64.2	0	0	0	0	111.6	I670 V671 S677 S678 D778	I670-S674 PolarHBondContact O-N 2.96Å; V671-S674 PolarHBondContact O-N 3.25Å; V671-S674 PolarHBondContact O-OG 2.81Å; S674-S677 PolarHBondContact O-N 3.37Å; S674-S678 PolarHBondContact O-N 3.41Å; S674-D778 WeakPolarHBondContact OG-CB 3.35Å; S674-D778 PolarHBondContact OG-OD1 3.49Å
675	V	95.1	Very high	94.3	Very high	8 Å²	8	33.3 Å²	33.3	5%	0.048	19%	0.185	C	C	.	.	H	α-helix	trans	-60.5	-50.1	173.8	176	0	0	0	0	110.8	V671 S677 S678 L679 I697 P698 V701	V671-V675 WeakPolarHBondContact O-CG2 2.91Å; V671-V675 PolarHBondContact O-N 3.38Å; V675-S677 VanDerWaalsContact C-N 3.3Å; V675-S677 PolarHBondContact O-N 3.38Å; V675-S678 PolarHBondContact O-N 3.48Å; V675-L679 HydrophobicContact CG1-CD1 3.69Å; V675-L679 HydrophobicContact CG1-CG 4.44Å; V675-L679 WeakPolarHBondContact O-CD1 3.24Å; V675-L679 VanDerWaalsContact O-CG 3.29Å; V675-L679 WeakPolarHBondContact O-CG 3.3Å; V675-L679 PolarHBondContact O-N 3Å; V675-I697 HydrophobicContact CG1-CG2 4.17Å; V675-I697 HydrophobicContact CG2-CG2 4.35Å; V675-P698 HydrophobicContact CG1-CG 4.15Å; V675-V701 HydrophobicContact CG2-CB 3.79Å; V675-V701 HydrophobicContact CG2-CG1 4.09Å; V675-V701 HydrophobicContact CG2-CG2 3.96Å
676	S	95.1	Very high	94.3	Very high	31 Å²	31	31.6 Å²	31.6	22%	0.217	19%	0.188	C	C	.	.	H	α-helix	trans	-58.6	-40.2	176.6	178.2	0	0	0	0	112.6	S372 L375 L672 G680	S372-S676 WeakPolarHBondContact CB-OG 3.21Å; S372-S676 PolarHBondContact OG-OG 2.97Å; L375-S676 WeakPolarHBondContact CD1-OG 3.44Å; L672-S676 WeakPolarHBondContact O-CB 3.46Å; L672-S676 PolarHBondContact O-N 2.97Å; S676-G680 PolarHBondContact O-N 3.03Å
677	S	96.3	Very high	94.3	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.014	19%	0.192	C	C	.	.	H	α-helix	trans	-66.5	-42.4	178.1	-62.6	0	0	0	0	112.1	S673 S674 V675 G680 I681	S673-S677 VanDerWaalsContact O-CB 3.3Å; S673-S677 WeakPolarHBondContact O-CB 3.42Å; S673-S677 PolarHBondContact O-N 3Å; S673-S677 PolarHBondContact O-OG 2.93Å; S674-S677 PolarHBondContact O-N 3.37Å; V675-S677 VanDerWaalsContact C-N 3.3Å; V675-S677 PolarHBondContact O-N 3.38Å; S677-G680 PolarHBondContact O-N 3.44Å; S677-I681 WeakPolarHBondContact O-CD1 3.44Å; S677-I681 VanDerWaalsContact O-CG1 3.26Å; S677-I681 WeakPolarHBondContact O-CG1 3.19Å; S677-I681 PolarHBondContact O-N 3.46Å
678	S	96.4	Very high	94.2	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.007	21%	0.206	C	C	.	.	H	α-helix	trans	-62.3	-48.9	176.2	179.7	0	0	0	0	111.4	S674 V675 G680 I681 F682 F770 A774	S674-S678 PolarHBondContact O-N 3.41Å; V675-S678 PolarHBondContact O-N 3.48Å; S678-G680 VanDerWaalsContact C-N 3.3Å; S678-G680 PolarHBondContact O-N 3.21Å; S678-I681 PolarHBondContact O-N 3.18Å; S678-F682 WeakPolarHBondContact O-CD2 3.35Å; S678-F682 PolarHBondContact O-N 3.24Å; S678-F770 PolarHBondContact OG-O 3.32Å; S678-A774 PolarHBondContact OG-N 3.15Å
679	L	94.7	Very high	94	Very high	24 Å²	24	34.2 Å²	34.2	13%	0.126	20%	0.203	C	C	.	.	H	α-helix	trans	-58.5	-42.6	176.9	-67.6	161	0	0	0	111.4	L375 V675 S683 L689 V693 F770	L375-L679 HydrophobicContact CD2-CB 3.74Å; V675-L679 HydrophobicContact CG1-CD1 3.69Å; V675-L679 HydrophobicContact CG1-CG 4.44Å; V675-L679 WeakPolarHBondContact O-CD1 3.24Å; V675-L679 VanDerWaalsContact O-CG 3.29Å; V675-L679 WeakPolarHBondContact O-CG 3.3Å; V675-L679 PolarHBondContact O-N 3Å; L679-S683 VanDerWaalsContact O-CB 3.31Å; L679-S683 WeakPolarHBondContact O-CB 3.4Å; L679-S683 PolarHBondContact O-N 2.73Å; L679-S683 PolarHBondContact O-OG 3.1Å; L679-L689 HydrophobicContact CD2-CD2 3.51Å; L679-L689 HydrophobicContact CD2-CG 4.18Å; L679-V693 HydrophobicContact CD2-CG1 3.88Å; L679-F770 HydrophobicContact CD2-CD1 3.98Å; L679-F770 HydrophobicContact CD2-CE1 4.06Å
680	G	95.9	Very high	93.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.8	-43.3	177.9	0	0	0	0	0	113.8	C371 G374 S676 S677 S678 F682 S683 Y684	C371-G680 CarbonylContact O-C 3.59Å; C371-G680 WeakPolarHBondContact O-CA 3.3Å; G374-G680 WeakPolarHBondContact CA-O 3.48Å; S676-G680 PolarHBondContact O-N 3.03Å; S677-G680 PolarHBondContact O-N 3.44Å; S678-G680 VanDerWaalsContact C-N 3.3Å; S678-G680 PolarHBondContact O-N 3.21Å; G680-F682 PolarHBondContact O-N 3.17Å; G680-S683 WeakPolarHBondContact O-CB 3.36Å; G680-S683 PolarHBondContact O-N 2.85Å; G680-Y684 WeakPolarHBondContact O-CD2 3.32Å; G680-Y684 PolarHBondContact O-N 3.41Å
681	I	96.2	Very high	93	Very high	59 Å²	59	31.7 Å²	31.7	30%	0.303	19%	0.19	S	C	.	.	H	α-helix	trans	-62	-45.5	179.1	-70.3	163.2	0	0	0	111.4	C371 S677 S678 S683 Y684 A685 L773 I777	C371-I681 HydrophobicContact CB-CD1 4.18Å; C371-I681 HydrophobicContact CB-CG1 4.05Å; S677-I681 WeakPolarHBondContact O-CD1 3.44Å; S677-I681 VanDerWaalsContact O-CG1 3.26Å; S677-I681 WeakPolarHBondContact O-CG1 3.19Å; S677-I681 PolarHBondContact O-N 3.46Å; S678-I681 PolarHBondContact O-N 3.18Å; I681-S683 VanDerWaalsContact C-N 3.35Å; I681-Y684 WeakPolarHBondContact O-CB 3.42Å; I681-Y684 PolarHBondContact O-N 3.47Å; I681-A685 PolarHBondContact O-N 3.28Å; I681-A685 VanDerWaalsContact O-N 3.17Å; I681-L773 HydrophobicContact CB-CD2 4.06Å; I681-L773 HydrophobicContact CD1-CD2 4.04Å; I681-L773 HydrophobicContact CG2-CD2 3.92Å; I681-I777 HydrophobicContact CD1-CD1 3.79Å
682	F	95.3	Very high	92.4	Very high	30 Å²	30	33.1 Å²	33.1	13%	0.132	20%	0.198	C	C	.	.	H	α-helix	trans	-73.6	-28	178.2	-77.6	-61.1	0	0	0	113	S678 G680 Y684 A685 G686 V687 L769 F770 L773	S678-F682 WeakPolarHBondContact O-CD2 3.35Å; S678-F682 PolarHBondContact O-N 3.24Å; G680-F682 PolarHBondContact O-N 3.17Å; F682-Y684 VanDerWaalsContact C-N 3.34Å; F682-A685 CarbonylContact O-C 3.32Å; F682-A685 WeakPolarHBondContact O-CA 3.45Å; F682-A685 WeakPolarHBondContact O-CB 3.24Å; F682-A685 PolarHBondContact O-N 3.36Å; F682-A685 VanDerWaalsContact O-N 3.13Å; F682-G686 PolarHBondContact O-N 3.45Å; F682-G686 VanDerWaalsContact O-N 3.13Å; F682-V687 HydrophobicContact CB-CB 4.34Å; F682-V687 HydrophobicContact CD1-CG2 4.26Å; F682-V687 PolarHBondContact O-N 3.47Å; F682-L769 HydrophobicContact CE1-CB 4.2Å; F682-L769 HydrophobicContact CE2-CB 4.22Å; F682-L769 VanDerWaalsContact CE2-O 3.27Å; F682-L769 WeakPolarHBondContact CE2-O 3.4Å; F682-L769 HydrophobicContact CZ-CB 3.78Å; F682-F770 HydrophobicContact CB-CD1 3.96Å; F682-F770 HydrophobicContact CB-CE1 3.27Å; F682-F770 HydrophobicContact CB-CZ 3.61Å; F682-F770 AromaticContact CD2-CD1 3.48Å; F682-F770 HydrophobicContact CD2-CD1 3.48Å; F682-F770 VanDerWaalsContact CD2-CD1 3.48Å; F682-F770 AromaticContact CD2-CE1 3.76Å; F682-F770 HydrophobicContact CD2-CE1 3.76Å; F682-F770 HydrophobicContact CD2-CG 4.02Å; F682-F770 HydrophobicContact CD2-CZ 4.45Å; F682-F770 HydrophobicContact CE2-CD1 4.35Å; F682-F770 HydrophobicContact CG-CD1 4.07Å; F682-F770 AromaticContact CG-CE1 3.87Å; F682-F770 HydrophobicContact CG-CE1 3.87Å; F682-F770 HydrophobicContact CG-CZ 4.25Å; F682-L773 HydrophobicContact CD2-CD2 3.93Å; F682-L773 HydrophobicContact CE2-CB 3.73Å; F682-L773 HydrophobicContact CE2-CD2 3.45Å; F682-L773 VanDerWaalsContact CE2-CD2 3.45Å; F682-L773 HydrophobicContact CE2-CG 4.24Å; F682-L773 HydrophobicContact CZ-CB 4.3Å; F682-L773 HydrophobicContact CZ-CD2 3.97Å
683	S	94.7	Very high	92.1	Very high	4 Å²	4	29.7 Å²	29.7	3%	0.028	18%	0.18	C	C	.	.	H	α-helix	trans	-64	-38.6	169.3	-60.6	0	0	0	0	111.5	G374 L679 G680 I681 A685 G686	G374-S683 WeakPolarHBondContact O-CB 3.35Å; L679-S683 VanDerWaalsContact O-CB 3.31Å; L679-S683 WeakPolarHBondContact O-CB 3.4Å; L679-S683 PolarHBondContact O-N 2.73Å; L679-S683 PolarHBondContact O-OG 3.1Å; G680-S683 WeakPolarHBondContact O-CB 3.36Å; G680-S683 PolarHBondContact O-N 2.85Å; I681-S683 VanDerWaalsContact C-N 3.35Å; S683-A685 VanDerWaalsContact C-N 3.28Å; S683-A685 PolarHBondContact O-N 3.29Å; S683-G686 PolarHBondContact O-N 3Å
684	Y	95.3	Very high	91.6	Very high	126 Å²	126	31.4 Å²	31.4	49%	0.494	19%	0.185	S	C	.	.	H	α-helix	trans	-62.2	-35	170.3	-77.6	-54.1	0	0	0	112.8	A370 G374 Y377 G680 I681 F682 G686	A370-Y684 PolarHBondContact O-OH 2.84Å; G374-Y684 VanDerWaalsContact CA-CE2 3.43Å; G374-Y684 VanDerWaalsContact N-CZ 3.26Å; G374-Y684 PolarHBondContact N-OH 2.81Å; Y377-Y684 AromaticContact CD2-CD1 3.92Å; Y377-Y684 HydrophobicContact CD2-CD1 3.92Å; Y377-Y684 AromaticContact CD2-CE1 3.94Å; Y377-Y684 HydrophobicContact CD2-CE1 3.94Å; Y377-Y684 HydrophobicContact CE2-CD1 4.15Å; Y377-Y684 AromaticContact CE2-CE1 3.85Å; Y377-Y684 HydrophobicContact CE2-CE1 3.85Å; G680-Y684 WeakPolarHBondContact O-CD2 3.32Å; G680-Y684 PolarHBondContact O-N 3.41Å; I681-Y684 WeakPolarHBondContact O-CB 3.42Å; I681-Y684 PolarHBondContact O-N 3.47Å; F682-Y684 VanDerWaalsContact C-N 3.34Å; Y684-G686 PolarHBondContact O-N 3.47Å
685	A	94.3	Very high	90.8	Very high	73 Å²	73	33.1 Å²	33.1	60%	0.603	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-4.7	175.2	0	0	0	0	0	113.4	I681 F682 S683 V687	I681-A685 PolarHBondContact O-N 3.28Å; I681-A685 VanDerWaalsContact O-N 3.17Å; F682-A685 CarbonylContact O-C 3.32Å; F682-A685 WeakPolarHBondContact O-CA 3.45Å; F682-A685 WeakPolarHBondContact O-CB 3.24Å; F682-A685 PolarHBondContact O-N 3.36Å; F682-A685 VanDerWaalsContact O-N 3.13Å; S683-A685 VanDerWaalsContact C-N 3.28Å; S683-A685 PolarHBondContact O-N 3.29Å; A685-V687 VanDerWaalsContact C-N 3.33Å; A685-V687 HydrophobicContact CB-CG2 4.35Å
686	G	91.4	Very high	90.3	Very high	49 Å²	49	32.9 Å²	32.9	51%	0.505	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	17.5	179.8	0	0	0	0	0	114.5	F682 S683 Y684	F682-G686 PolarHBondContact O-N 3.45Å; F682-G686 VanDerWaalsContact O-N 3.13Å; S683-G686 PolarHBondContact O-N 3Å; Y684-G686 PolarHBondContact O-N 3.47Å
687	V	91.2	Very high	90	Very high	39 Å²	39	31.5 Å²	31.5	24%	0.236	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-78.3	122.4	175.6	-178.6	0	0	0	0	108.6	F682 A685 T766 F770	F682-V687 HydrophobicContact CB-CB 4.34Å; F682-V687 HydrophobicContact CD1-CG2 4.26Å; F682-V687 PolarHBondContact O-N 3.47Å; A685-V687 VanDerWaalsContact C-N 3.33Å; A685-V687 HydrophobicContact CB-CG2 4.35Å; V687-T766 HydrophobicContact CG1-CG2 4.22Å; V687-F770 HydrophobicContact CG1-CE2 4.09Å; V687-F770 HydrophobicContact CG1-CZ 4.24Å
688	P	89.1	Confident	89.7	Confident	49 Å²	49	32.6 Å²	32.6	32%	0.318	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-68.6	148.7	178.9	28.8	-34.1	0	0	0	111.4	T381	T381-P688 VanDerWaalsContact OG1-CB 3.3Å; T381-P688 WeakPolarHBondContact OG1-CB 3.32Å
689	L	87.8	Confident	89.1	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-91.9	151.2	174.8	-74.6	70.7	0	0	0	110	M378 R379 I380 T381 L679 I694 F770	M378-L689 HydrophobicContact CG-CD1 3.92Å; M378-L689 HydrophobicContact CG-CD2 3.78Å; M378-L689 HydrophobicContact CG-CG 4.37Å; M378-L689 HydrophobicContact SD-CD2 3.81Å; R379-L689 PolarHBondContact O-N 3.4Å; I380-L689 WeakPolarHBondContact CA-O 3.46Å; T381-L689 PolarHBondContact N-O 3.33Å; L679-L689 HydrophobicContact CD2-CD2 3.51Å; L679-L689 HydrophobicContact CD2-CG 4.18Å; L689-I694 HydrophobicContact CD2-CG1 4.38Å; L689-F770 HydrophobicContact CD1-CE1 4.35Å; L689-F770 HydrophobicContact CD1-CZ 3.98Å; L689-F770 HydrophobicContact CG-CE1 4.31Å; L689-F770 HydrophobicContact CG-CZ 3.99Å
690	T	86.9	Confident	88.7	Confident	9 Å²	9	32 Å²	32	6%	0.055	19%	0.185	C	C	.	.			trans	-114.3	158.8	174.7	68.1	0	0	0	0	109.9	L387 I692 V693 I694	L387-T690 HydrophobicContact CD2-CG2 3.34Å; T690-I692 VanDerWaalsContact C-N 3.29Å; T690-I692 PolarHBondContact O-N 2.77Å; T690-V693 WeakPolarHBondContact O-CB 3.36Å; T690-V693 PolarHBondContact O-N 2.82Å; T690-V693 VanDerWaalsContact OG1-CG2 3.31Å; T690-V693 WeakPolarHBondContact OG1-CG2 3.19Å; T690-V693 PolarHBondContact OG1-N 3.37Å; T690-I694 PolarHBondContact O-N 2.83Å
691	L	79.9	Confident	88.5	Confident	50 Å²	50	32 Å²	32	26%	0.262	19%	0.185	S	C	.	.	H	α-helix	trans	-59.1	-42.7	175.4	-86.6	77.7	0	0	0	111.5	I380 V693 I694 E695	I380-L691 HydrophobicContact CG2-CD1 4Å; L691-V693 PolarHBondContact O-N 2.82Å; L691-I694 PolarHBondContact O-N 3.26Å; L691-E695 WeakPolarHBondContact O-CG 3.2Å; L691-E695 PolarHBondContact O-N 3Å
692	I	80.2	Confident	88.2	Confident	31 Å²	31	29.5 Å²	29.5	16%	0.159	17%	0.172	C	C	.	.	H	α-helix	trans	-53.9	-41.4	177	-59.9	172.1	0	0	0	111.3	W388 T690 E695 V696 V1151	W388-I692 HydrophobicContact CH2-CD1 3.81Å; W388-I692 HydrophobicContact CZ2-CD1 4.38Å; T690-I692 VanDerWaalsContact C-N 3.29Å; T690-I692 PolarHBondContact O-N 2.77Å; I692-E695 PolarHBondContact O-N 3.42Å; I692-V696 HydrophobicContact CG2-CG2 4.04Å; I692-V696 VanDerWaalsContact O-CB 3.28Å; I692-V696 WeakPolarHBondContact O-CB 3.18Å; I692-V696 VanDerWaalsContact O-CG2 3.3Å; I692-V696 WeakPolarHBondContact O-CG2 3.08Å; I692-V696 PolarHBondContact O-N 2.9Å; I692-V1151 HydrophobicContact CD1-CG2 4.43Å
693	V	86.5	Confident	87.7	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65	-45.1	178.6	160	0	0	0	0	111.5	L679 T690 L691 E695 I697 F767 F770	L679-V693 HydrophobicContact CD2-CG1 3.88Å; T690-V693 WeakPolarHBondContact O-CB 3.36Å; T690-V693 PolarHBondContact O-N 2.82Å; T690-V693 VanDerWaalsContact OG1-CG2 3.31Å; T690-V693 WeakPolarHBondContact OG1-CG2 3.19Å; T690-V693 PolarHBondContact OG1-N 3.37Å; L691-V693 PolarHBondContact O-N 2.82Å; V693-E695 VanDerWaalsContact C-N 3.27Å; V693-E695 PolarHBondContact O-N 3.28Å; V693-I697 HydrophobicContact CB-CD1 4.37Å; V693-I697 HydrophobicContact CG1-CD1 3.75Å; V693-I697 HydrophobicContact CG1-CG1 4.44Å; V693-I697 HydrophobicContact CG2-CD1 4.36Å; V693-I697 VanDerWaalsContact O-CB 3.32Å; V693-I697 WeakPolarHBondContact O-CB 3.07Å; V693-I697 WeakPolarHBondContact O-CG1 3.44Å; V693-I697 PolarHBondContact O-N 3.11Å; V693-F767 HydrophobicContact CG2-CB 4.35Å; V693-F770 HydrophobicContact CG1-CB 4.37Å; V693-F770 HydrophobicContact CG1-CD2 3.98Å; V693-F770 HydrophobicContact CG1-CE2 4.44Å; V693-F770 HydrophobicContact CG1-CG 4.09Å; V693-F770 HydrophobicContact CG2-CD2 4.09Å
694	I	84.8	Confident	87.4	Confident	73 Å²	73	28.1 Å²	28.1	37%	0.374	17%	0.167	S	C	.	.	H	α-helix	trans	-64.7	-35.6	-178.7	-64.8	171.3	0	0	0	110.8	I380 L689 T690 L691 P698	I380-I694 HydrophobicContact CD1-CD1 4.49Å; L689-I694 HydrophobicContact CD2-CG1 4.38Å; T690-I694 PolarHBondContact O-N 2.83Å; L691-I694 PolarHBondContact O-N 3.26Å; I694-P698 VanDerWaalsContact O-CD 3.22Å; I694-P698 WeakPolarHBondContact O-CD 3.39Å; I694-P698 VanDerWaalsContact O-CG 3.28Å; I694-P698 WeakPolarHBondContact O-CG 3.46Å
695	E	79.7	Confident	87.1	Confident	37 Å²	37	22.1 Å²	22.1	17%	0.173	14%	0.143	C	C	.	.	H	α-helix	trans	-85.1	-46.4	-175.7	-67.7	171.8	167	0	0	113.1	L691 I692 V693 F1220	L691-E695 WeakPolarHBondContact O-CG 3.2Å; L691-E695 PolarHBondContact O-N 3Å; I692-E695 PolarHBondContact O-N 3.42Å; V693-E695 VanDerWaalsContact C-N 3.27Å; V693-E695 PolarHBondContact O-N 3.28Å; E695-F1220 VanDerWaalsContact OE2-CZ 3.29Å; E695-F1220 WeakPolarHBondContact OE2-CZ 3.37Å
696	V	84.1	Confident	86.9	Confident	3 Å²	3	18.8 Å²	18.8	2%	0.018	12%	0.115	C	C	.	.	H	α-helix	trans	-83.3	-39.4	-170.3	178.7	0	0	0	0	113	I692 F699 L700 F767 M1158 Y1224 Y1228	I692-V696 HydrophobicContact CG2-CG2 4.04Å; I692-V696 VanDerWaalsContact O-CB 3.28Å; I692-V696 WeakPolarHBondContact O-CB 3.18Å; I692-V696 VanDerWaalsContact O-CG2 3.3Å; I692-V696 WeakPolarHBondContact O-CG2 3.08Å; I692-V696 PolarHBondContact O-N 2.9Å; V696-F699 WeakPolarHBondContact O-CB 3.39Å; V696-F699 PolarHBondContact O-N 3.36Å; V696-F699 VanDerWaalsContact O-N 3.12Å; V696-L700 PolarHBondContact O-N 3.14Å; V696-F767 HydrophobicContact CB-CE2 4.04Å; V696-F767 HydrophobicContact CG1-CE2 3.59Å; V696-F767 HydrophobicContact CG1-CZ 4.1Å; V696-M1158 HydrophobicContact CG1-SD 4.16Å; V696-Y1224 HydrophobicContact CG2-CD1 4.35Å; V696-Y1224 HydrophobicContact CG2-CE1 3.38Å; V696-Y1228 VanDerWaalsContact CG1-OH 3.26Å; V696-Y1228 WeakPolarHBondContact CG1-OH 3.21Å
697	I	89.9	Confident	86.7	Confident	2 Å²	2	16.4 Å²	16.4	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-62.7	-45.9	-172.7	-65.6	-169.4	0	0	0	112.8	V675 V693 F699 L700 V701 F767 F770 A771 A774	V675-I697 HydrophobicContact CG1-CG2 4.17Å; V675-I697 HydrophobicContact CG2-CG2 4.35Å; V693-I697 HydrophobicContact CB-CD1 4.37Å; V693-I697 HydrophobicContact CG1-CD1 3.75Å; V693-I697 HydrophobicContact CG1-CG1 4.44Å; V693-I697 HydrophobicContact CG2-CD1 4.36Å; V693-I697 VanDerWaalsContact O-CB 3.32Å; V693-I697 WeakPolarHBondContact O-CB 3.07Å; V693-I697 WeakPolarHBondContact O-CG1 3.44Å; V693-I697 PolarHBondContact O-N 3.11Å; I697-F699 PolarHBondContact O-N 3.08Å; I697-L700 PolarHBondContact O-N 3.35Å; I697-V701 HydrophobicContact CG2-CG2 3.9Å; I697-V701 WeakPolarHBondContact O-CG2 3.15Å; I697-V701 PolarHBondContact O-N 3.46Å; I697-F767 HydrophobicContact CD1-CD2 4.46Å; I697-F767 HydrophobicContact CG1-CD2 4.08Å; I697-F767 HydrophobicContact CG1-CE2 3.92Å; I697-F770 HydrophobicContact CD1-CB 3.22Å; I697-F770 HydrophobicContact CD1-CG 4.29Å; I697-A771 HydrophobicContact CD1-CB 4.43Å; I697-A774 HydrophobicContact CG2-CB 4.22Å
698	P	89.5	Confident	86.7	Confident	24 Å²	24	14.6 Å²	14.6	16%	0.156	8%	0.08	C	C	.	.	H	α-helix	trans	-59.2	-33.2	177.2	-18.1	28.2	0	0	0	112.1	Y635 V675 I694 L702	Y635-P698 WeakPolarHBondContact OH-CB 3.42Å; V675-P698 HydrophobicContact CG1-CG 4.15Å; I694-P698 VanDerWaalsContact O-CD 3.22Å; I694-P698 WeakPolarHBondContact O-CD 3.39Å; I694-P698 VanDerWaalsContact O-CG 3.28Å; I694-P698 WeakPolarHBondContact O-CG 3.46Å; P698-L702 WeakPolarHBondContact O-CB 3.32Å; P698-L702 PolarHBondContact O-N 3.48Å
699	F	83.4	Confident	86.8	Confident	13 Å²	13	12.4 Å²	12.4	6%	0.057	7%	0.066	C	C	.	.	H	α-helix	trans	-70.6	-44.5	177.9	179.2	-97.1	0	0	0	111.2	Y635 M638 V696 I697 A703 M1158 K1205 I1209 Y1228	Y635-F699 VanDerWaalsContact OH-CA 3.26Å; Y635-F699 WeakPolarHBondContact OH-CA 3.49Å; Y635-F699 WeakPolarHBondContact OH-CB 3.25Å; Y635-F699 PolarHBondContact OH-N 3.47Å; M638-F699 HydrophobicContact CE-CD2 4.25Å; M638-F699 HydrophobicContact CE-CE2 4.45Å; M638-F699 HydrophobicContact SD-CE2 4.39Å; V696-F699 WeakPolarHBondContact O-CB 3.39Å; V696-F699 PolarHBondContact O-N 3.36Å; V696-F699 VanDerWaalsContact O-N 3.12Å; I697-F699 PolarHBondContact O-N 3.08Å; F699-A703 PolarHBondContact O-N 2.91Å; F699-A703 VanDerWaalsContact O-N 3.13Å; F699-M1158 HydrophobicContact CD1-CE 3.83Å; F699-M1158 HydrophobicContact CE1-CE 3.99Å; F699-K1205 HydrophobicContact CE1-CD 4.34Å; F699-K1205 HydrophobicContact CE2-CD 3.98Å; F699-K1205 HydrophobicContact CZ-CD 3.66Å; F699-K1205 PolarHBondContact O-NZ 3.17Å; F699-I1209 HydrophobicContact CE2-CG1 4.28Å; F699-I1209 HydrophobicContact CZ-CD1 4.12Å; F699-I1209 HydrophobicContact CZ-CG1 3.78Å; F699-Y1228 HydrophobicContact CD1-CD2 4.07Å; F699-Y1228 AromaticContact CD1-CE2 3.66Å; F699-Y1228 HydrophobicContact CD1-CE2 3.66Å; F699-Y1228 AromaticContact CE1-CD2 3.52Å; F699-Y1228 HydrophobicContact CE1-CD2 3.52Å; F699-Y1228 AromaticContact CE1-CE2 3.61Å; F699-Y1228 HydrophobicContact CE1-CE2 3.61Å; F699-Y1228 HydrophobicContact CE1-CG 4.09Å; F699-Y1228 HydrophobicContact CG-CE2 4.42Å; F699-Y1228 AromaticContact CZ-CD2 3.9Å; F699-Y1228 HydrophobicContact CZ-CD2 3.9Å; F699-Y1228 HydrophobicContact CZ-CE2 4.31Å
700	L	86.6	Confident	86.9	Confident	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.1	-54.4	176	174.1	70.1	0	0	0	111.4	V696 I697 L702 A703 V704 F753 F767 A771 M1158 I1162	V696-L700 PolarHBondContact O-N 3.14Å; I697-L700 PolarHBondContact O-N 3.35Å; L700-L702 VanDerWaalsContact C-N 3.3Å; L700-L702 PolarHBondContact O-N 3Å; L700-A703 WeakPolarHBondContact O-CA 3.38Å; L700-A703 WeakPolarHBondContact O-CB 3.33Å; L700-A703 PolarHBondContact O-N 2.95Å; L700-V704 PolarHBondContact O-N 3.25Å; L700-F753 HydrophobicContact CD1-CZ 4.07Å; L700-F753 HydrophobicContact CD2-CE1 4.3Å; L700-F753 HydrophobicContact CD2-CE2 4Å; L700-F753 HydrophobicContact CD2-CZ 3.7Å; L700-F753 HydrophobicContact CG-CZ 4.48Å; L700-F767 HydrophobicContact CD2-CZ 4.21Å; L700-A771 HydrophobicContact CD2-CB 3.79Å; L700-M1158 HydrophobicContact CB-CE 4.02Å; L700-M1158 HydrophobicContact CB-SD 4.49Å; L700-M1158 HydrophobicContact CD1-CE 3.74Å; L700-M1158 HydrophobicContact CD1-CG 3.83Å; L700-M1158 HydrophobicContact CD1-SD 4.07Å; L700-I1162 HydrophobicContact CD1-CD1 4.44Å; L700-I1162 HydrophobicContact CD1-CG1 4.33Å
701	V	92	Very high	87	Confident	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-68.6	-33.1	-175	-173.8	0	0	0	0	111.1	V671 V675 I697 A703 V704 G705 A774 V775 D778	V671-V701 HydrophobicContact CG1-CB 4.48Å; V671-V701 HydrophobicContact CG1-CG1 4.12Å; V675-V701 HydrophobicContact CG2-CB 3.79Å; V675-V701 HydrophobicContact CG2-CG1 4.09Å; V675-V701 HydrophobicContact CG2-CG2 3.96Å; I697-V701 HydrophobicContact CG2-CG2 3.9Å; I697-V701 WeakPolarHBondContact O-CG2 3.15Å; I697-V701 PolarHBondContact O-N 3.46Å; V701-A703 PolarHBondContact O-N 3.01Å; V701-V704 PolarHBondContact O-N 3.21Å; V701-G705 PolarHBondContact O-N 3.03Å; V701-A774 HydrophobicContact CG2-CB 3.69Å; V701-V775 HydrophobicContact CG2-CG2 4.38Å; V701-D778 HydrophobicContact CG1-CB 3.79Å
702	L	89.6	Confident	87.6	Confident	6 Å²	6	9.9 Å²	9.9	3%	0.031	5%	0.052	C	C	.	.	H	α-helix	trans	-64.6	-24.9	169.8	-169.8	72.1	0	0	0	112.7	Y635 M638 F639 V671 P698 L700 V706	Y635-L702 HydrophobicContact CD1-CD2 3.62Å; Y635-L702 HydrophobicContact CE1-CD2 3.66Å; M638-L702 HydrophobicContact CE-CD2 3.83Å; M638-L702 HydrophobicContact SD-CD2 4.1Å; F639-L702 HydrophobicContact CE1-CD1 4.12Å; F639-L702 HydrophobicContact CE1-CD2 3.89Å; V671-L702 HydrophobicContact CB-CD1 4.38Å; V671-L702 HydrophobicContact CG1-CB 4.08Å; V671-L702 HydrophobicContact CG1-CD1 3.9Å; P698-L702 WeakPolarHBondContact O-CB 3.32Å; P698-L702 PolarHBondContact O-N 3.48Å; L700-L702 VanDerWaalsContact C-N 3.3Å; L700-L702 PolarHBondContact O-N 3Å; L702-V706 HydrophobicContact CD1-CG2 3.6Å; L702-V706 HydrophobicContact CG-CG2 3.95Å; L702-V706 WeakPolarHBondContact O-CB 3.37Å; L702-V706 WeakPolarHBondContact O-CG2 3.45Å; L702-V706 PolarHBondContact O-N 3.39Å
703	A	84.9	Confident	88	Confident	4 Å²	4	8.4 Å²	8.4	3%	0.033	5%	0.045	C	C	.	.	H	α-helix	trans	-64.4	-59.1	172.5	0	0	0	0	0	111.6	F699 L700 V701 D707 K1205	F699-A703 PolarHBondContact O-N 2.91Å; F699-A703 VanDerWaalsContact O-N 3.13Å; L700-A703 WeakPolarHBondContact O-CA 3.38Å; L700-A703 WeakPolarHBondContact O-CB 3.33Å; L700-A703 PolarHBondContact O-N 2.95Å; V701-A703 PolarHBondContact O-N 3.01Å; A703-D707 PolarHBondContact O-N 3.03Å; A703-K1205 VanDerWaalsContact CA-NZ 3.35Å; A703-K1205 HydrophobicContact CB-CD 4.34Å; A703-K1205 VanDerWaalsContact CB-NZ 3.3Å
704	V	88.6	Confident	88	Confident	1 Å²	1	9.4 Å²	9.4	1%	0.006	5%	0.049	C	C	.	.	H	α-helix	trans	-66.7	-47.2	-172.7	177.4	0	0	0	0	109.3	L700 V701 V706 D707 N708 E749 V775	L700-V704 PolarHBondContact O-N 3.25Å; V701-V704 PolarHBondContact O-N 3.21Å; V704-V706 PolarHBondContact O-N 2.96Å; V704-D707 PolarHBondContact O-N 2.76Å; V704-N708 PolarHBondContact O-N 2.65Å; V704-E749 WeakPolarHBondContact CG1-OE2 3.46Å; V704-E749 VanDerWaalsContact CG2-OE2 3.24Å; V704-E749 WeakPolarHBondContact CG2-OE2 3.4Å; V704-V775 HydrophobicContact CG1-CG1 4.35Å
705	G	89.9	Confident	88.1	Confident	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-70.1	-36.4	-173.4	0	0	0	0	0	114.3	V701 D707 I709 D778 Q782	V701-G705 PolarHBondContact O-N 3.03Å; G705-D707 VanDerWaalsContact C-N 3.32Å; G705-I709 WeakPolarHBondContact O-CB 3.19Å; G705-I709 WeakPolarHBondContact O-CD1 3.33Å; G705-I709 VanDerWaalsContact O-CG1 3.26Å; G705-I709 WeakPolarHBondContact O-CG1 3.28Å; G705-I709 PolarHBondContact O-N 3.36Å; G705-I709 VanDerWaalsContact O-N 3.08Å; G705-D778 WeakPolarHBondContact CA-OD2 3.02Å; G705-Q782 PolarHBondContact O-NE2 2.95Å
706	V	88.8	Confident	88.5	Confident	3 Å²	3	6.9 Å²	6.9	2%	0.018	4%	0.037	C	C	.	.	H	α-helix	trans	-66.3	-38.4	175.1	173.9	0	0	0	0	110.6	I642 L702 V704 I709 F710 T1204	I642-V706 HydrophobicContact CD1-CB 4.36Å; I642-V706 HydrophobicContact CD1-CG1 3.88Å; I642-V706 HydrophobicContact CD1-CG2 3.49Å; I642-V706 VanDerWaalsContact CD1-CG2 3.49Å; I642-V706 HydrophobicContact CG1-CG1 3.78Å; I642-V706 HydrophobicContact CG1-CG2 4.31Å; L702-V706 HydrophobicContact CD1-CG2 3.6Å; L702-V706 HydrophobicContact CG-CG2 3.95Å; L702-V706 WeakPolarHBondContact O-CB 3.37Å; L702-V706 WeakPolarHBondContact O-CG2 3.45Å; L702-V706 PolarHBondContact O-N 3.39Å; V704-V706 PolarHBondContact O-N 2.96Å; V706-I709 WeakPolarHBondContact O-CB 3.43Å; V706-I709 PolarHBondContact O-N 3.32Å; V706-F710 HydrophobicContact CG1-CD2 3.58Å; V706-F710 HydrophobicContact CG1-CE2 3.59Å; V706-F710 VanDerWaalsContact O-CD2 3.25Å; V706-F710 WeakPolarHBondContact O-CD2 3.34Å; V706-F710 PolarHBondContact O-N 2.73Å; V706-T1204 HydrophobicContact CG1-CG2 3.9Å
707	D	88.1	Confident	88.6	Confident	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-61.7	-50.1	177.7	-165.9	41.5	0	0	0	112.2	A703 V704 G705 I709 F710 I711 H1169 I1201	A703-D707 PolarHBondContact O-N 3.03Å; V704-D707 PolarHBondContact O-N 2.76Å; G705-D707 VanDerWaalsContact C-N 3.32Å; D707-I709 VanDerWaalsContact C-N 3.27Å; D707-I709 PolarHBondContact O-N 3.11Å; D707-F710 WeakPolarHBondContact O-CA 3.48Å; D707-F710 WeakPolarHBondContact O-CB 3.37Å; D707-F710 PolarHBondContact O-N 3.29Å; D707-I711 WeakPolarHBondContact O-CG1 3.28Å; D707-I711 PolarHBondContact O-N 3Å; D707-H1169 IonicContact OD2-CD2 2.76Å; D707-H1169 IonicContact OD2-NE2 3.01Å; D707-I1201 HydrophobicContact CB-CD1 4.18Å; D707-I1201 HydrophobicContact CB-CG1 3.66Å; D707-I1201 VanDerWaalsContact OD1-CG1 3.23Å; D707-I1201 WeakPolarHBondContact OD1-CG1 3.36Å; D707-I1201 VanDerWaalsContact OD2-CD1 3.3Å; D707-I1201 WeakPolarHBondContact OD2-CD1 3.48Å; D707-I1201 WeakPolarHBondContact OD2-CG1 3.47Å
708	N	91	Very high	88.2	Confident	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-54.7	-44.5	175.7	-76.6	-22.9	0	0	0	111.9	V704 F710 I711 I712 M742 S746 Q782	V704-N708 PolarHBondContact O-N 2.65Å; N708-F710 PolarHBondContact O-N 3.47Å; N708-I711 PolarHBondContact O-N 3.44Å; N708-I712 VanDerWaalsContact O-CG1 3.28Å; N708-I712 WeakPolarHBondContact O-CG1 3.22Å; N708-I712 PolarHBondContact O-N 3.35Å; N708-M742 HydrophobicContact CB-SD 4.03Å; N708-M742 WeakPolarHBondContact OD1-CG 3.5Å; N708-S746 PolarHBondContact ND2-OG 3.29Å; N708-Q782 PolarHBondContact ND2-OE1 3.07Å
709	I	91.5	Very high	88	Confident	4 Å²	4	13.1 Å²	13.1	2%	0.021	6%	0.061	C	C	.	.	H	α-helix	trans	-59.3	-47	175.2	-74.3	163.1	0	0	0	111.1	L646 G705 V706 D707 I711 I712 V713 F786	L646-I709 HydrophobicContact CD1-CG2 4.27Å; L646-I709 HydrophobicContact CD2-CG2 4.18Å; G705-I709 WeakPolarHBondContact O-CB 3.19Å; G705-I709 WeakPolarHBondContact O-CD1 3.33Å; G705-I709 VanDerWaalsContact O-CG1 3.26Å; G705-I709 WeakPolarHBondContact O-CG1 3.28Å; G705-I709 PolarHBondContact O-N 3.36Å; G705-I709 VanDerWaalsContact O-N 3.08Å; V706-I709 WeakPolarHBondContact O-CB 3.43Å; V706-I709 PolarHBondContact O-N 3.32Å; D707-I709 VanDerWaalsContact C-N 3.27Å; D707-I709 PolarHBondContact O-N 3.11Å; I709-I711 PolarHBondContact O-N 3.43Å; I709-I712 PolarHBondContact O-N 2.93Å; I709-V713 WeakPolarHBondContact O-CB 3.39Å; I709-V713 VanDerWaalsContact O-CG2 3.31Å; I709-V713 WeakPolarHBondContact O-CG2 3.48Å; I709-V713 PolarHBondContact O-N 3.32Å; I709-F786 HydrophobicContact CB-CE1 4.39Å; I709-F786 HydrophobicContact CB-CE2 4.44Å; I709-F786 HydrophobicContact CB-CZ 4.15Å; I709-F786 HydrophobicContact CD1-CD2 4.41Å; I709-F786 HydrophobicContact CD1-CE2 4.38Å; I709-F786 HydrophobicContact CG1-CD1 4.31Å; I709-F786 HydrophobicContact CG1-CD2 4.08Å; I709-F786 HydrophobicContact CG1-CE1 4.2Å; I709-F786 HydrophobicContact CG1-CE2 3.96Å; I709-F786 HydrophobicContact CG1-CG 4.26Å; I709-F786 HydrophobicContact CG1-CZ 4.05Å; I709-F786 HydrophobicContact CG2-CE1 4.12Å; I709-F786 HydrophobicContact CG2-CE2 3.78Å; I709-F786 HydrophobicContact CG2-CZ 3.45Å; I709-F786 VanDerWaalsContact CG2-CZ 3.45Å
710	F	89.8	Confident	87.9	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.9	-41.9	178.8	-94	-103.6	0	0	0	112	Y641 I642 A645 L646 V706 D707 N708 V713 Q714 T1204	Y641-F710 HydrophobicContact CE1-CZ 4.24Å; I642-F710 HydrophobicContact CB-CE2 4.48Å; I642-F710 HydrophobicContact CG1-CE2 4.28Å; I642-F710 HydrophobicContact CG2-CE2 4.16Å; A645-F710 HydrophobicContact CB-CE1 3.99Å; A645-F710 HydrophobicContact CB-CZ 3.87Å; L646-F710 HydrophobicContact CD2-CD1 4.22Å; L646-F710 HydrophobicContact CD2-CD2 3.9Å; L646-F710 HydrophobicContact CD2-CE1 4.24Å; L646-F710 HydrophobicContact CD2-CE2 3.95Å; L646-F710 HydrophobicContact CD2-CG 4.06Å; L646-F710 HydrophobicContact CD2-CZ 4.12Å; L646-F710 HydrophobicContact CG-CD2 4.4Å; L646-F710 HydrophobicContact CG-CE1 4.41Å; L646-F710 HydrophobicContact CG-CE2 3.94Å; L646-F710 HydrophobicContact CG-CZ 3.94Å; V706-F710 HydrophobicContact CG1-CD2 3.58Å; V706-F710 HydrophobicContact CG1-CE2 3.59Å; V706-F710 VanDerWaalsContact O-CD2 3.25Å; V706-F710 WeakPolarHBondContact O-CD2 3.34Å; V706-F710 PolarHBondContact O-N 2.73Å; D707-F710 WeakPolarHBondContact O-CA 3.48Å; D707-F710 WeakPolarHBondContact O-CB 3.37Å; D707-F710 PolarHBondContact O-N 3.29Å; N708-F710 PolarHBondContact O-N 3.47Å; F710-V713 PolarHBondContact O-N 2.94Å; F710-Q714 VanDerWaalsContact O-CB 3.23Å; F710-Q714 WeakPolarHBondContact O-CB 3.38Å; F710-Q714 VanDerWaalsContact O-CG 3.27Å; F710-Q714 WeakPolarHBondContact O-CG 3.48Å; F710-Q714 PolarHBondContact O-N 3.47Å; F710-T1204 HydrophobicContact CE2-CG2 4.43Å
711	I	88.8	Confident	87.6	Confident	2 Å²	2	22.5 Å²	22.5	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-64	-44.8	178.9	-65.1	173	0	0	0	111	D707 N708 I709 T715 I738 H1169	D707-I711 WeakPolarHBondContact O-CG1 3.28Å; D707-I711 PolarHBondContact O-N 3Å; N708-I711 PolarHBondContact O-N 3.44Å; I709-I711 PolarHBondContact O-N 3.43Å; I711-T715 WeakPolarHBondContact O-CB 3.49Å; I711-T715 PolarHBondContact O-N 3.33Å; I711-T715 VanDerWaalsContact O-N 3.11Å; I711-T715 PolarHBondContact O-OG1 2.85Å; I711-I738 HydrophobicContact CG2-CG2 3.43Å; I711-I738 VanDerWaalsContact CG2-CG2 3.43Å; I711-H1169 WeakPolarHBondContact CD1-CD2 3.45Å; I711-H1169 WeakPolarHBondContact CD1-NE2 3.38Å
712	I	91	Very high	87	Confident	4 Å²	4	26.7 Å²	26.7	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-61.4	-52	177.5	-64.5	166.1	0	0	0	110.1	N708 I709 Y716 M742 F786 L790	N708-I712 VanDerWaalsContact O-CG1 3.28Å; N708-I712 WeakPolarHBondContact O-CG1 3.22Å; N708-I712 PolarHBondContact O-N 3.35Å; I709-I712 PolarHBondContact O-N 2.93Å; I712-Y716 WeakPolarHBondContact O-CB 3.47Å; I712-Y716 PolarHBondContact O-N 3.31Å; I712-M742 HydrophobicContact CD1-CE 3.76Å; I712-M742 HydrophobicContact CD1-SD 3.69Å; I712-M742 HydrophobicContact CG1-CE 3.7Å; I712-M742 HydrophobicContact CG1-SD 3.5Å; I712-M742 VanDerWaalsContact CG1-SD 3.5Å; I712-F786 HydrophobicContact CB-CE1 4.37Å; I712-F786 HydrophobicContact CD1-CD1 4.11Å; I712-F786 HydrophobicContact CD1-CE1 4.41Å; I712-F786 HydrophobicContact CG2-CE1 4.25Å; I712-L790 HydrophobicContact CG2-CD2 3.67Å
713	V	90	Very high	86.2	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-67.7	-44.2	-174	174.7	0	0	0	0	111.6	L646 L663 I709 F710 Y716 Q717 F786 L790	L646-V713 HydrophobicContact CD2-CB 3.97Å; L646-V713 HydrophobicContact CD2-CG1 4.01Å; L646-V713 HydrophobicContact CD2-CG2 4.15Å; L663-V713 HydrophobicContact CD2-CG2 3.82Å; I709-V713 WeakPolarHBondContact O-CB 3.39Å; I709-V713 VanDerWaalsContact O-CG2 3.31Å; I709-V713 WeakPolarHBondContact O-CG2 3.48Å; I709-V713 PolarHBondContact O-N 3.32Å; F710-V713 PolarHBondContact O-N 2.94Å; V713-Y716 PolarHBondContact O-N 2.68Å; V713-Q717 HydrophobicContact CG1-CG 4.43Å; V713-Q717 WeakPolarHBondContact O-CG 3.39Å; V713-Q717 PolarHBondContact O-N 3.09Å; V713-F786 HydrophobicContact CG2-CE1 3.9Å; V713-F786 HydrophobicContact CG2-CZ 3.63Å; V713-L790 HydrophobicContact CG2-CD1 4.45Å
714	Q	86.7	Confident	85.9	Confident	21 Å²	21	40.9 Å²	40.9	10%	0.098	20%	0.197	C	C	.	.	H	α-helix	trans	-69.2	-38.6	-178.7	-71.7	-170.7	5.7	0	0	112.4	F710 Y716 Q717 R718 S1196	F710-Q714 VanDerWaalsContact O-CB 3.23Å; F710-Q714 WeakPolarHBondContact O-CB 3.38Å; F710-Q714 VanDerWaalsContact O-CG 3.27Å; F710-Q714 WeakPolarHBondContact O-CG 3.48Å; F710-Q714 PolarHBondContact O-N 3.47Å; Q714-Y716 VanDerWaalsContact C-N 3.32Å; Q714-Q717 PolarHBondContact O-N 2.93Å; Q714-R718 WeakPolarHBondContact O-CB 3.34Å; Q714-R718 WeakPolarHBondContact O-CD 3.34Å; Q714-R718 WeakPolarHBondContact O-CG 3.39Å; Q714-R718 PolarHBondContact O-N 3.49Å; Q714-S1196 VanDerWaalsContact OE1-CA 3.24Å; Q714-S1196 VanDerWaalsContact OE1-CB 3.32Å; Q714-S1196 PolarHBondContact OE1-OG 3.49Å
715	T	86.5	Confident	85.7	Confident	30 Å²	30	42.2 Å²	42.2	18%	0.184	20%	0.203	C	C	.	.	H	α-helix	trans	-67.4	-36.1	174.7	-56.6	0	0	0	0	111.1	I711 R718 D719 I734 I738	I711-T715 WeakPolarHBondContact O-CB 3.49Å; I711-T715 PolarHBondContact O-N 3.33Å; I711-T715 VanDerWaalsContact O-N 3.11Å; I711-T715 PolarHBondContact O-OG1 2.85Å; T715-R718 PolarHBondContact O-N 2.86Å; T715-D719 WeakPolarHBondContact O-CB 3.44Å; T715-D719 PolarHBondContact O-N 3.4Å; T715-I734 HydrophobicContact CG2-CG2 4.2Å; T715-I738 HydrophobicContact CG2-CD1 3.42Å; T715-I738 VanDerWaalsContact CG2-CD1 3.42Å; T715-I738 HydrophobicContact CG2-CG1 4.01Å; T715-I738 WeakPolarHBondContact OG1-CD1 3.47Å
716	Y	88.6	Confident	85.7	Confident	27 Å²	27	48.2 Å²	48.2	11%	0.106	23%	0.231	C	C	.	.	H	α-helix	trans	-61.2	-43.6	171.1	171	-99.6	0	0	0	112.8	I712 V713 Q714 R718 D719 I731 I734 L790 A794	I712-Y716 WeakPolarHBondContact O-CB 3.47Å; I712-Y716 PolarHBondContact O-N 3.31Å; V713-Y716 PolarHBondContact O-N 2.68Å; Q714-Y716 VanDerWaalsContact C-N 3.32Å; Y716-R718 VanDerWaalsContact C-N 3.29Å; Y716-R718 PolarHBondContact O-N 3.17Å; Y716-D719 PolarHBondContact O-N 2.89Å; Y716-I731 HydrophobicContact CD2-CG1 4.19Å; Y716-I731 HydrophobicContact CE2-CD1 4.48Å; Y716-I731 HydrophobicContact CE2-CG1 4.07Å; Y716-I734 HydrophobicContact CD2-CD1 3.71Å; Y716-I734 HydrophobicContact CG-CD1 4.5Å; Y716-L790 HydrophobicContact CD1-CD1 4.35Å; Y716-A794 WeakPolarHBondContact OH-CB 3.49Å
717	Q	84.8	Confident	85.6	Confident	60 Å²	60	49.3 Å²	49.3	28%	0.28	24%	0.237	S	C	.	.	H	α-helix	trans	-65.2	-32.8	178	-73.5	175	-4.9	0	0	112.9	L646 V713 Q714	L646-Q717 PolarHBondContact O-NE2 3.37Å; V713-Q717 HydrophobicContact CG1-CG 4.43Å; V713-Q717 WeakPolarHBondContact O-CG 3.39Å; V713-Q717 PolarHBondContact O-N 3.09Å; Q714-Q717 PolarHBondContact O-N 2.93Å
718	R	81.8	Confident	85.7	Confident	78 Å²	78	50.7 Å²	50.7	29%	0.294	24%	0.243	S	C	.	.	H	α-helix	trans	-81.5	-23.3	179.2	-67.9	166.5	-170.5	-175.2	-1	113.2	Q714 T715 Y716 H1192 S1195 S1196	Q714-R718 WeakPolarHBondContact O-CB 3.34Å; Q714-R718 WeakPolarHBondContact O-CD 3.34Å; Q714-R718 WeakPolarHBondContact O-CG 3.39Å; Q714-R718 PolarHBondContact O-N 3.49Å; T715-R718 PolarHBondContact O-N 2.86Å; Y716-R718 VanDerWaalsContact C-N 3.29Å; Y716-R718 PolarHBondContact O-N 3.17Å; R718-H1192 PolarHBondContact NH1-O 2.92Å; R718-S1195 PolarHBondContact NH1-OG 2.9Å; R718-S1195 PolarHBondContact NH2-OG 3.05Å; R718-S1196 PolarHBondContact NH1-OG 2.97Å; R718-S1196 PolarHBondContact NH2-OG 3.36Å
719	D	84.9	Confident	85.6	Confident	21 Å²	21	55.7 Å²	55.7	11%	0.112	27%	0.266	C	S	.	.			trans	-73.9	148.7	179.6	-174.1	74.5	0	0	0	112	T715 Y716 Q730 R733 I734 K817	T715-D719 WeakPolarHBondContact O-CB 3.44Å; T715-D719 PolarHBondContact O-N 3.4Å; Y716-D719 PolarHBondContact O-N 2.89Å; D719-Q730 PolarHBondContact OD2-NE2 2.88Å; D719-R733 IonicContact OD1-CZ 2.92Å; D719-R733 IonicContact OD1-NH1 2.95Å; D719-R733 PolarHBondContact OD1-NH1 2.98Å; D719-R733 IonicContact OD1-NH2 3.14Å; D719-R733 PolarHBondContact OD1-NH2 3.29Å; D719-R733 IonicContact OD2-CZ 3.43Å; D719-R733 IonicContact OD2-NH1 2.78Å; D719-R733 IonicContact OD2-NH2 2.9Å; D719-R733 PolarHBondContact OD2-NH2 2.91Å; D719-I734 HydrophobicContact CB-CD1 3.87Å; D719-I734 HydrophobicContact CB-CG1 4.15Å; D719-K817 PolarHBondContact O-NZ 3.29Å
720	E	81.2	Confident	85.6	Confident	120 Å²	120	55.7 Å²	55.7	56%	0.561	27%	0.266	S	S	*	.			trans	-114.2	129.1	174	-67.5	-172.5	159.4	0	0	109.5
721	R	81.8	Confident	85.6	Confident	91 Å²	91	55.9 Å²	55.9	34%	0.343	27%	0.267	S	S	.	.			trans	-70.2	134.5	179.6	-176.4	179.9	-69.8	169.1	10.7	110.1	E725 E798	R721-E725 VanDerWaalsContact CD-O 3.23Å; R721-E725 WeakPolarHBondContact CD-O 3.33Å; R721-E725 HydrophobicContact CG-CB 4.18Å; R721-E798 IonicContact CZ-OE1 2.77Å; R721-E798 IonicContact NH1-OE1 3.53Å; R721-E798 PolarHBondContact NH1-OE1 3.44Å; R721-E798 IonicContact NH2-OE1 3.02Å; R721-E798 PolarHBondContact NH2-OE1 2.87Å
722	M	79.7	Confident	85.7	Confident	88 Å²	88	55.8 Å²	55.8	43%	0.433	27%	0.267	S	S	.	.			trans	-71.5	152.2	174.5	-65.3	179.3	-78.8	0	0	111.4	Q724 E725	M722-Q724 PolarHBondContact O-N 2.94Å; M722-E725 HydrophobicContact CB-CB 4Å; M722-E725 VanDerWaalsContact CE-CD 3.45Å; M722-E725 HydrophobicContact CE-CG 4.4Å; M722-E725 WeakPolarHBondContact CE-OE1 3.46Å; M722-E725 WeakPolarHBondContact CE-OE2 3.48Å; M722-E725 PolarHBondContact N-OE2 3.02Å; M722-E725 PolarHBondContact O-N 3.31Å
723	P	72.1	Confident	85.7	Confident	112 Å²	112	57.8 Å²	57.8	73%	0.727	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-19.4	-170.5	-24.9	32.9	0	0	0	116.5
724	Q	78.3	Confident	85.7	Confident	196 Å²	196	58.1 Å²	58.1	92%	0.916	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	11.2	-179.9	-63.2	-172.8	-11.7	0	0	113.7	M722	M722-Q724 PolarHBondContact O-N 2.94Å
725	E	84.8	Confident	86	Confident	29 Å²	29	57.4 Å²	57.4	14%	0.136	27%	0.272	C	S	.	.			trans	-92.8	125.7	-175.8	-174.5	177.5	-140.2	0	0	111.2	R721 M722 H729 Q730 R733	R721-E725 VanDerWaalsContact CD-O 3.23Å; R721-E725 WeakPolarHBondContact CD-O 3.33Å; R721-E725 HydrophobicContact CG-CB 4.18Å; M722-E725 HydrophobicContact CB-CB 4Å; M722-E725 VanDerWaalsContact CE-CD 3.45Å; M722-E725 HydrophobicContact CE-CG 4.4Å; M722-E725 WeakPolarHBondContact CE-OE1 3.46Å; M722-E725 WeakPolarHBondContact CE-OE2 3.48Å; M722-E725 PolarHBondContact N-OE2 3.02Å; M722-E725 PolarHBondContact O-N 3.31Å; E725-H729 HydrophobicContact CG-CB 3.95Å; E725-Q730 HydrophobicContact CG-CB 4.18Å; E725-R733 IonicContact OE1-CZ 3.67Å; E725-R733 IonicContact OE1-NE 2.86Å; E725-R733 PolarHBondContact OE1-NE 3.34Å; E725-R733 IonicContact OE1-NH2 2.83Å; E725-R733 IonicContact OE2-CZ 3.6Å; E725-R733 IonicContact OE2-NE 3.36Å; E725-R733 IonicContact OE2-NH2 3.72Å; E725-R733 PolarHBondContact OE2-NH2 3.15Å
726	E	88.6	Confident	86.1	Confident	126 Å²	126	56 Å²	56	59%	0.589	26%	0.264	S	S	*	.			trans	-74.6	156.6	172.6	-68.9	-166	-164.7	0	0	112.2	H728 H729 Q730	E726-H728 VanDerWaalsContact C-N 3.25Å; E726-H728 PolarHBondContact O-N 3.47Å; E726-H728 VanDerWaalsContact O-N 3.16Å; E726-H728 IonicContact OE2-CE1 2.89Å; E726-H728 PolarHBondContact OE2-CE1 3.35Å; E726-H728 IonicContact OE2-ND1 3.02Å; E726-H728 PolarHBondContact OE2-ND1 2.83Å; E726-H729 PolarHBondContact O-N 3.06Å; E726-Q730 PolarHBondContact O-N 3.26Å
727	L	88.3	Confident	86	Confident	26 Å²	26	57.6 Å²	57.6	14%	0.136	27%	0.274	C	S	.	.	H	α-helix	trans	-51.6	-41.6	-179.7	175.8	67	0	0	0	113.1	Q730 I731 A794 K795	L727-Q730 PolarHBondContact O-N 3.29Å; L727-I731 HydrophobicContact CD1-CD1 3.86Å; L727-I731 HydrophobicContact CD1-CG1 4.22Å; L727-I731 HydrophobicContact CG-CD1 4.17Å; L727-I731 PolarHBondContact O-N 3.13Å; L727-A794 HydrophobicContact CD1-CB 3.77Å; L727-A794 HydrophobicContact CD2-CB 4.09Å; L727-K795 HydrophobicContact CD2-CB 4.33Å
728	H	89.1	Confident	86.2	Confident	28 Å²	28	55.3 Å²	55.3	13%	0.13	26%	0.264	C	S	.	.	H	α-helix	trans	-70.1	-34.4	-177.9	72.1	-90.9	0	0	0	112.5	S351 V354 E726 G732	S351-H728 PolarHBondContact OG-CD2 2.99Å; V354-H728 HydrophobicContact CB-CB 4.13Å; V354-H728 HydrophobicContact CG1-CB 3.82Å; E726-H728 VanDerWaalsContact C-N 3.25Å; E726-H728 PolarHBondContact O-N 3.47Å; E726-H728 VanDerWaalsContact O-N 3.16Å; E726-H728 IonicContact OE2-CE1 2.89Å; E726-H728 PolarHBondContact OE2-CE1 3.35Å; E726-H728 IonicContact OE2-ND1 3.02Å; E726-H728 PolarHBondContact OE2-ND1 2.83Å; H728-G732 PolarHBondContact O-N 3.07Å
729	H	90.1	Very high	86.6	Confident	105 Å²	105	51.6 Å²	51.6	49%	0.486	25%	0.25	S	C	.	.	H	α-helix	trans	-71.2	-38	172.1	-82.8	-67.8	0	0	0	111.9	E725 E726 G732 R733	E725-H729 HydrophobicContact CG-CB 3.95Å; E726-H729 PolarHBondContact O-N 3.06Å; H729-G732 PolarHBondContact O-N 3.11Å; H729-R733 WeakPolarHBondContact O-CB 3.3Å; H729-R733 PolarHBondContact O-N 3.24Å
730	Q	89.9	Confident	86.9	Confident	5 Å²	5	51 Å²	51	2%	0.023	25%	0.248	C	C	.	.	H	α-helix	trans	-61.6	-53.2	176.1	-169.5	-167.9	4	0	0	111.6	D719 E725 E726 L727 G732 R733 I734	D719-Q730 PolarHBondContact OD2-NE2 2.88Å; E725-Q730 HydrophobicContact CG-CB 4.18Å; E726-Q730 PolarHBondContact O-N 3.26Å; L727-Q730 PolarHBondContact O-N 3.29Å; Q730-G732 VanDerWaalsContact C-N 3.31Å; Q730-G732 PolarHBondContact O-N 3.46Å; Q730-R733 PolarHBondContact O-N 3.03Å; Q730-I734 HydrophobicContact CG-CD1 3.92Å; Q730-I734 WeakPolarHBondContact O-CD1 3.48Å; Q730-I734 VanDerWaalsContact O-CG1 3.27Å; Q730-I734 WeakPolarHBondContact O-CG1 3.31Å; Q730-I734 PolarHBondContact O-N 3Å
731	I	90.4	Very high	87.3	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-38.4	178.8	-66	175.1	0	0	0	110.6	V354 Y716 L727 I734 L735 V787 A794	V354-I731 HydrophobicContact CG1-CD1 4.36Å; V354-I731 HydrophobicContact CG2-CB 3.95Å; V354-I731 HydrophobicContact CG2-CD1 3.94Å; V354-I731 HydrophobicContact CG2-CG2 3.66Å; Y716-I731 HydrophobicContact CD2-CG1 4.19Å; Y716-I731 HydrophobicContact CE2-CD1 4.48Å; Y716-I731 HydrophobicContact CE2-CG1 4.07Å; L727-I731 HydrophobicContact CD1-CD1 3.86Å; L727-I731 HydrophobicContact CD1-CG1 4.22Å; L727-I731 HydrophobicContact CG-CD1 4.17Å; L727-I731 PolarHBondContact O-N 3.13Å; I731-I734 PolarHBondContact O-N 3.11Å; I731-L735 WeakPolarHBondContact O-CB 3.42Å; I731-L735 PolarHBondContact O-N 3.48Å; I731-V787 HydrophobicContact CG2-CG1 3.95Å; I731-A794 HydrophobicContact CD1-CB 4.47Å
732	G	91.3	Very high	87.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.7	-49.3	172.9	0	0	0	0	0	112.5	S347 H728 H729 Q730 I734 L735 G736	S347-G732 VanDerWaalsContact CA-O 3.23Å; S347-G732 WeakPolarHBondContact CA-O 3.35Å; S347-G732 WeakPolarHBondContact CB-O 3.12Å; S347-G732 PolarHBondContact OG-O 3.18Å; H728-G732 PolarHBondContact O-N 3.07Å; H729-G732 PolarHBondContact O-N 3.11Å; Q730-G732 VanDerWaalsContact C-N 3.31Å; Q730-G732 PolarHBondContact O-N 3.46Å; G732-I734 PolarHBondContact O-N 3.27Å; G732-L735 PolarHBondContact O-N 2.82Å; G732-G736 PolarHBondContact O-N 3.37Å
733	R	89.9	Confident	88.4	Confident	46 Å²	46	39.5 Å²	39.5	17%	0.174	20%	0.197	C	C	.	.	H	α-helix	trans	-58.1	-48.3	176.5	176.9	172.6	58.8	85.4	-3.4	111.9	D719 E725 H729 Q730 L735 G736 D737	D719-R733 IonicContact OD1-CZ 2.92Å; D719-R733 IonicContact OD1-NH1 2.95Å; D719-R733 PolarHBondContact OD1-NH1 2.98Å; D719-R733 IonicContact OD1-NH2 3.14Å; D719-R733 PolarHBondContact OD1-NH2 3.29Å; D719-R733 IonicContact OD2-CZ 3.43Å; D719-R733 IonicContact OD2-NH1 2.78Å; D719-R733 IonicContact OD2-NH2 2.9Å; D719-R733 PolarHBondContact OD2-NH2 2.91Å; E725-R733 IonicContact OE1-CZ 3.67Å; E725-R733 IonicContact OE1-NE 2.86Å; E725-R733 PolarHBondContact OE1-NE 3.34Å; E725-R733 IonicContact OE1-NH2 2.83Å; E725-R733 IonicContact OE2-CZ 3.6Å; E725-R733 IonicContact OE2-NE 3.36Å; E725-R733 IonicContact OE2-NH2 3.72Å; E725-R733 PolarHBondContact OE2-NH2 3.15Å; H729-R733 WeakPolarHBondContact O-CB 3.3Å; H729-R733 PolarHBondContact O-N 3.24Å; Q730-R733 PolarHBondContact O-N 3.03Å; R733-L735 VanDerWaalsContact C-N 3.33Å; R733-L735 PolarHBondContact O-N 3.43Å; R733-G736 PolarHBondContact O-N 3.38Å; R733-D737 PolarHBondContact O-N 3.16Å
734	I	90.6	Very high	89.3	Confident	8 Å²	8	34.2 Å²	34.2	4%	0.041	16%	0.162	C	C	.	.	H	α-helix	trans	-59.7	-45.2	178.6	-67.9	161.9	0	0	0	110.6	T715 Y716 D719 Q730 I731 G732 G736 D737 I738	T715-I734 HydrophobicContact CG2-CG2 4.2Å; Y716-I734 HydrophobicContact CD2-CD1 3.71Å; Y716-I734 HydrophobicContact CG-CD1 4.5Å; D719-I734 HydrophobicContact CB-CD1 3.87Å; D719-I734 HydrophobicContact CB-CG1 4.15Å; Q730-I734 HydrophobicContact CG-CD1 3.92Å; Q730-I734 WeakPolarHBondContact O-CD1 3.48Å; Q730-I734 VanDerWaalsContact O-CG1 3.27Å; Q730-I734 WeakPolarHBondContact O-CG1 3.31Å; Q730-I734 PolarHBondContact O-N 3Å; I731-I734 PolarHBondContact O-N 3.11Å; G732-I734 PolarHBondContact O-N 3.27Å; I734-G736 VanDerWaalsContact C-N 3.35Å; I734-G736 PolarHBondContact O-N 3.1Å; I734-D737 PolarHBondContact O-N 2.96Å; I734-I738 HydrophobicContact CG2-CD1 3.6Å; I734-I738 WeakPolarHBondContact O-CG1 3.22Å; I734-I738 PolarHBondContact O-N 2.89Å
735	L	92.2	Very high	89.9	Confident	5 Å²	5	24.9 Å²	24.9	3%	0.026	12%	0.119	C	C	.	.	H	α-helix	trans	-63.8	-41.1	178.2	-162.7	68.3	0	0	0	111.4	I731 G732 R733 D737 I738 A739 M742 I783 V787	I731-L735 WeakPolarHBondContact O-CB 3.42Å; I731-L735 PolarHBondContact O-N 3.48Å; G732-L735 PolarHBondContact O-N 2.82Å; R733-L735 VanDerWaalsContact C-N 3.33Å; R733-L735 PolarHBondContact O-N 3.43Å; L735-D737 PolarHBondContact O-N 3.39Å; L735-I738 PolarHBondContact O-N 2.97Å; L735-A739 HydrophobicContact CD1-CB 4.36Å; L735-A739 HydrophobicContact CG-CB 4.15Å; L735-A739 WeakPolarHBondContact O-CA 3.46Å; L735-A739 WeakPolarHBondContact O-CB 3.29Å; L735-A739 PolarHBondContact O-N 3.43Å; L735-M742 HydrophobicContact CD1-CE 4.31Å; L735-I783 HydrophobicContact CD1-CD1 3.62Å; L735-I783 HydrophobicContact CD2-CD1 3.97Å; L735-I783 HydrophobicContact CD2-CG1 4.3Å; L735-I783 HydrophobicContact CG-CD1 3.94Å; L735-V787 HydrophobicContact CD1-CG2 3.74Å; L735-V787 HydrophobicContact CD2-CG1 4.21Å; L735-V787 HydrophobicContact CD2-CG2 4.03Å
736	G	89.6	Confident	90.3	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-59.1	-32.3	175.4	0	0	0	0	0	113.8	R343 G732 R733 I734 P740	R343-G736 WeakPolarHBondContact CG-O 3.45Å; G732-G736 PolarHBondContact O-N 3.37Å; R733-G736 PolarHBondContact O-N 3.38Å; I734-G736 VanDerWaalsContact C-N 3.35Å; I734-G736 PolarHBondContact O-N 3.1Å; G736-P740 VanDerWaalsContact O-CD 3.29Å; G736-P740 WeakPolarHBondContact O-CD 3.5Å
737	D	85.9	Confident	90.5	Very high	60 Å²	60	21 Å²	21	32%	0.321	10%	0.1	S	C	.	.	H	α-helix	trans	-80.3	-35.2	-178.5	-67	-12	0	0	0	112.4	R343 R733 I734 L735 R1172	R343-D737 IonicContact CZ-OD1 3.19Å; R343-D737 IonicContact NE-OD1 2.73Å; R343-D737 PolarHBondContact NE-OD1 2.96Å; R343-D737 IonicContact NH2-OD1 2.76Å; R343-D737 PolarHBondContact NH2-OD1 3.3Å; R343-D737 IonicContact NH2-OD2 3.6Å; R343-D737 PolarHBondContact NH2-OD2 3.26Å; R733-D737 PolarHBondContact O-N 3.16Å; I734-D737 PolarHBondContact O-N 2.96Å; L735-D737 PolarHBondContact O-N 3.39Å; D737-R1172 PolarHBondContact O-NH1 3.37Å
738	I	89.4	Confident	90.7	Very high	12 Å²	12	19.8 Å²	19.8	6%	0.062	9%	0.093	C	C	.	.	H	α-helix	trans	-98.1	-39.7	-172.9	-58.2	166.2	0	0	0	112.8	I711 T715 I734 L735 P740 S741 M742	I711-I738 HydrophobicContact CG2-CG2 3.43Å; I711-I738 VanDerWaalsContact CG2-CG2 3.43Å; T715-I738 HydrophobicContact CG2-CD1 3.42Å; T715-I738 VanDerWaalsContact CG2-CD1 3.42Å; T715-I738 HydrophobicContact CG2-CG1 4.01Å; T715-I738 WeakPolarHBondContact OG1-CD1 3.47Å; I734-I738 HydrophobicContact CG2-CD1 3.6Å; I734-I738 WeakPolarHBondContact O-CG1 3.22Å; I734-I738 PolarHBondContact O-N 2.89Å; L735-I738 PolarHBondContact O-N 2.97Å; I738-P740 VanDerWaalsContact C-N 3.31Å; I738-S741 WeakPolarHBondContact O-CA 3.46Å; I738-S741 WeakPolarHBondContact O-CB 3.45Å; I738-S741 PolarHBondContact O-N 3.37Å; I738-M742 HydrophobicContact CG2-CE 4.08Å; I738-M742 HydrophobicContact CG2-CG 4.09Å; I738-M742 HydrophobicContact CG2-SD 4.05Å; I738-M742 PolarHBondContact O-N 3.28Å
739	A	91.3	Very high	90.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-56	-34.9	-173.2	0	0	0	0	0	114.7	F346 L735 S741 M742 F743 I783	F346-A739 HydrophobicContact CB-CB 3.81Å; F346-A739 HydrophobicContact CD1-CB 3.76Å; F346-A739 HydrophobicContact CD2-CB 3.7Å; F346-A739 HydrophobicContact CE1-CB 4.23Å; F346-A739 HydrophobicContact CE2-CB 4.17Å; F346-A739 HydrophobicContact CG-CB 3.49Å; F346-A739 VanDerWaalsContact CG-CB 3.49Å; F346-A739 HydrophobicContact CZ-CB 4.42Å; L735-A739 HydrophobicContact CD1-CB 4.36Å; L735-A739 HydrophobicContact CG-CB 4.15Å; L735-A739 WeakPolarHBondContact O-CA 3.46Å; L735-A739 WeakPolarHBondContact O-CB 3.29Å; L735-A739 PolarHBondContact O-N 3.43Å; A739-S741 PolarHBondContact O-N 2.9Å; A739-M742 HydrophobicContact CB-CE 4.07Å; A739-M742 PolarHBondContact O-N 2.92Å; A739-F743 VanDerWaalsContact O-CB 3.26Å; A739-F743 WeakPolarHBondContact O-CB 3.32Å; A739-F743 PolarHBondContact O-N 3.4Å; A739-I783 HydrophobicContact CB-CD1 3.68Å
740	P	90.8	Very high	91	Very high	10 Å²	10	13.8 Å²	13.8	7%	0.065	7%	0.066	C	C	.	.	H	α-helix	trans	-62.7	-28.5	173.3	-21.6	32.6	0	0	0	113.3	L342 F346 G736 I738 L744	L342-P740 HydrophobicContact CB-CG 4.21Å; F346-P740 HydrophobicContact CD2-CG 4.18Å; G736-P740 VanDerWaalsContact O-CD 3.29Å; G736-P740 WeakPolarHBondContact O-CD 3.5Å; I738-P740 VanDerWaalsContact C-N 3.31Å; P740-L744 VanDerWaalsContact O-CB 3.27Å; P740-L744 WeakPolarHBondContact O-CB 3.07Å; P740-L744 PolarHBondContact O-N 3.36Å
741	S	89	Confident	91.1	Very high	7 Å²	7	15.3 Å²	15.3	5%	0.049	8%	0.076	C	C	.	.	H	α-helix	trans	-70.1	-47.8	174.6	-153.9	0	0	0	0	111.8	I738 A739 L744 S745 H1169	I738-S741 WeakPolarHBondContact O-CA 3.46Å; I738-S741 WeakPolarHBondContact O-CB 3.45Å; I738-S741 PolarHBondContact O-N 3.37Å; A739-S741 PolarHBondContact O-N 2.9Å; S741-L744 WeakPolarHBondContact O-CB 3.44Å; S741-L744 PolarHBondContact O-N 2.95Å; S741-S745 PolarHBondContact O-N 2.98Å; S741-S745 VanDerWaalsContact O-N 3.11Å; S741-H1169 PolarHBondContact O-CE1 3.18Å; S741-H1169 PolarHBondContact OG-ND1 3.34Å
742	M	91.3	Very high	91.1	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.02	8%	0.076	C	C	.	.	H	α-helix	trans	-67.3	-39.3	178.6	-59.8	-177.2	-61.5	0	0	111.2	N708 I712 L735 I738 A739 L744 S745 S746 F779 I783	N708-M742 HydrophobicContact CB-SD 4.03Å; N708-M742 WeakPolarHBondContact OD1-CG 3.5Å; I712-M742 HydrophobicContact CD1-CE 3.76Å; I712-M742 HydrophobicContact CD1-SD 3.69Å; I712-M742 HydrophobicContact CG1-CE 3.7Å; I712-M742 HydrophobicContact CG1-SD 3.5Å; I712-M742 VanDerWaalsContact CG1-SD 3.5Å; L735-M742 HydrophobicContact CD1-CE 4.31Å; I738-M742 HydrophobicContact CG2-CE 4.08Å; I738-M742 HydrophobicContact CG2-CG 4.09Å; I738-M742 HydrophobicContact CG2-SD 4.05Å; I738-M742 PolarHBondContact O-N 3.28Å; A739-M742 HydrophobicContact CB-CE 4.07Å; A739-M742 PolarHBondContact O-N 2.92Å; M742-L744 VanDerWaalsContact C-N 3.32Å; M742-L744 PolarHBondContact O-N 2.94Å; M742-S745 PolarHBondContact O-N 3.19Å; M742-S745 PolarHBondContact O-OG 3.45Å; M742-S745 VanDerWaalsContact O-OG 3.13Å; M742-S746 WeakPolarHBondContact O-CB 3.47Å; M742-S746 PolarHBondContact O-N 3.37Å; M742-S746 PolarHBondContact O-OG 2.96Å; M742-F779 HydrophobicContact CB-CE2 4.41Å; M742-I783 HydrophobicContact CE-CD1 4Å
743	F	93.3	Very high	91.1	Very high	45 Å²	45	15.4 Å²	15.4	20%	0.197	8%	0.077	C	C	.	.	H	α-helix	trans	-63.4	-40.3	174.6	-178.9	-115.3	0	0	0	111.2	F346 A739 F747 F779 L1115	F346-F743 HydrophobicContact CE2-CB 4.45Å; F346-F743 HydrophobicContact CZ-CB 4.2Å; F346-F743 HydrophobicContact CZ-CG 4.33Å; A739-F743 VanDerWaalsContact O-CB 3.26Å; A739-F743 WeakPolarHBondContact O-CB 3.32Å; A739-F743 PolarHBondContact O-N 3.4Å; F743-F747 HydrophobicContact CD2-CB 4.37Å; F743-F747 HydrophobicContact CE2-CB 4.13Å; F743-F747 HydrophobicContact CE2-CD2 4.32Å; F743-F747 HydrophobicContact CE2-CG 4.33Å; F743-F747 HydrophobicContact CZ-CB 4.32Å; F743-F747 HydrophobicContact CZ-CD2 4.33Å; F743-F747 HydrophobicContact CZ-CG 4.19Å; F743-F747 WeakPolarHBondContact O-CB 3.4Å; F743-F747 PolarHBondContact O-N 2.93Å; F743-F779 HydrophobicContact CB-CE2 3.99Å; F743-F779 HydrophobicContact CB-CZ 3.84Å; F743-F779 HydrophobicContact CD2-CD1 4.46Å; F743-F779 AromaticContact CD2-CE1 3.63Å; F743-F779 HydrophobicContact CD2-CE1 3.63Å; F743-F779 HydrophobicContact CD2-CE2 4.26Å; F743-F779 AromaticContact CD2-CZ 3.52Å; F743-F779 HydrophobicContact CD2-CZ 3.52Å; F743-F779 HydrophobicContact CE2-CE1 4.27Å; F743-F779 HydrophobicContact CG-CZ 4.12Å; F743-L1115 HydrophobicContact CD1-CD1 4.03Å; F743-L1115 HydrophobicContact CD1-CD2 4.24Å; F743-L1115 HydrophobicContact CE1-CD1 4.01Å; F743-L1115 HydrophobicContact CE1-CD2 3.88Å
744	L	90.8	Very high	91.2	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-59.9	-48.7	175.6	165.8	65	0	0	0	111.9	P740 S741 M742 S748 V1111 T1112 L1115 L1116	P740-L744 VanDerWaalsContact O-CB 3.27Å; P740-L744 WeakPolarHBondContact O-CB 3.07Å; P740-L744 PolarHBondContact O-N 3.36Å; S741-L744 WeakPolarHBondContact O-CB 3.44Å; S741-L744 PolarHBondContact O-N 2.95Å; M742-L744 VanDerWaalsContact C-N 3.32Å; M742-L744 PolarHBondContact O-N 2.94Å; L744-S748 VanDerWaalsContact O-CB 3.27Å; L744-S748 WeakPolarHBondContact O-CB 3.45Å; L744-S748 PolarHBondContact O-N 3.03Å; L744-S748 VanDerWaalsContact O-N 3.12Å; L744-S748 PolarHBondContact O-OG 2.87Å; L744-V1111 HydrophobicContact CD1-CG1 4.44Å; L744-T1112 HydrophobicContact CD1-CG2 4.44Å; L744-L1115 HydrophobicContact CB-CB 4.47Å; L744-L1115 HydrophobicContact CB-CD1 4.2Å; L744-L1115 HydrophobicContact CD1-CB 3.77Å; L744-L1115 HydrophobicContact CD1-CD1 3.99Å; L744-L1115 HydrophobicContact CD1-CG 4.46Å; L744-L1116 HydrophobicContact CD2-CD2 3.85Å; L744-L1116 HydrophobicContact CD2-CG 4.04Å
745	S	91.1	Very high	91	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67.7	-57.1	-179.3	61.7	0	0	0	0	111.2	S741 M742 F747 S748 E749 E1165 H1169	S741-S745 PolarHBondContact O-N 2.98Å; S741-S745 VanDerWaalsContact O-N 3.11Å; M742-S745 PolarHBondContact O-N 3.19Å; M742-S745 PolarHBondContact O-OG 3.45Å; M742-S745 VanDerWaalsContact O-OG 3.13Å; S745-F747 VanDerWaalsContact C-N 3.32Å; S745-F747 PolarHBondContact O-N 3.38Å; S745-S748 WeakPolarHBondContact O-CB 3.35Å; S745-S748 PolarHBondContact O-N 3.14Å; S745-E749 WeakPolarHBondContact O-CG 3.43Å; S745-E749 PolarHBondContact O-N 2.98Å; S745-E1165 VanDerWaalsContact CB-CD 3.45Å; S745-E1165 WeakPolarHBondContact CB-OE1 3.46Å; S745-E1165 VanDerWaalsContact CB-OE2 3.25Å; S745-E1165 WeakPolarHBondContact CB-OE2 3.27Å; S745-E1165 PolarHBondContact OG-OE1 3.26Å; S745-E1165 PolarHBondContact OG-OE2 3.25Å; S745-E1165 VanDerWaalsContact OG-OE2 3.11Å; S745-H1169 PolarHBondContact OG-CE1 3.11Å
746	S	93.1	Very high	90.6	Very high	2 Å²	2	19 Å²	19	1%	0.014	10%	0.096	C	C	.	.	H	α-helix	trans	-61.9	-35.2	-177	-55.4	0	0	0	0	113.4	N708 M742 T750	N708-S746 PolarHBondContact ND2-OG 3.29Å; M742-S746 WeakPolarHBondContact O-CB 3.47Å; M742-S746 PolarHBondContact O-N 3.37Å; M742-S746 PolarHBondContact O-OG 2.96Å; S746-T750 VanDerWaalsContact O-CB 3.29Å; S746-T750 WeakPolarHBondContact O-CB 3.2Å; S746-T750 PolarHBondContact O-N 2.86Å; S746-T750 PolarHBondContact O-OG1 2.76Å
747	F	93.4	Very high	90.5	Very high	73 Å²	73	19.5 Å²	19.5	32%	0.32	10%	0.1	S	C	.	.	H	α-helix	trans	-72.7	-38	175.4	-171.1	-110.7	0	0	0	112.1	F743 S745 E749 T750 V751 V1111 L1115	F743-F747 HydrophobicContact CD2-CB 4.37Å; F743-F747 HydrophobicContact CE2-CB 4.13Å; F743-F747 HydrophobicContact CE2-CD2 4.32Å; F743-F747 HydrophobicContact CE2-CG 4.33Å; F743-F747 HydrophobicContact CZ-CB 4.32Å; F743-F747 HydrophobicContact CZ-CD2 4.33Å; F743-F747 HydrophobicContact CZ-CG 4.19Å; F743-F747 WeakPolarHBondContact O-CB 3.4Å; F743-F747 PolarHBondContact O-N 2.93Å; S745-F747 VanDerWaalsContact C-N 3.32Å; S745-F747 PolarHBondContact O-N 3.38Å; F747-E749 VanDerWaalsContact C-N 3.35Å; F747-T750 PolarHBondContact O-N 2.94Å; F747-V751 HydrophobicContact CD1-CG2 4.32Å; F747-V751 HydrophobicContact CD2-CG2 4.44Å; F747-V751 HydrophobicContact CE1-CG2 3.95Å; F747-V751 HydrophobicContact CE2-CG2 4.09Å; F747-V751 HydrophobicContact CZ-CG2 3.82Å; F747-V751 WeakPolarHBondContact O-CG2 2.89Å; F747-V751 PolarHBondContact O-N 2.73Å; F747-V1111 HydrophobicContact CD1-CG1 3.65Å; F747-V1111 HydrophobicContact CD1-CG2 4.3Å; F747-V1111 HydrophobicContact CE1-CG1 4.28Å; F747-V1111 HydrophobicContact CE1-CG2 4.25Å; F747-L1115 HydrophobicContact CD1-CD1 4.16Å
748	S	91.9	Very high	90.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.1	-44.3	174.5	-60.1	0	0	0	0	111.2	L744 S745 A752 V1111	L744-S748 VanDerWaalsContact O-CB 3.27Å; L744-S748 WeakPolarHBondContact O-CB 3.45Å; L744-S748 PolarHBondContact O-N 3.03Å; L744-S748 VanDerWaalsContact O-N 3.12Å; L744-S748 PolarHBondContact O-OG 2.87Å; S745-S748 WeakPolarHBondContact O-CB 3.35Å; S745-S748 PolarHBondContact O-N 3.14Å; S748-A752 VanDerWaalsContact O-CB 3.25Å; S748-A752 WeakPolarHBondContact O-CB 3.3Å; S748-A752 PolarHBondContact O-N 2.81Å; S748-V1111 WeakPolarHBondContact OG-CG1 3.16Å
749	E	91.3	Very high	90.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.6	-46.8	175.8	-69.2	-174.2	157.2	0	0	112.1	V704 S745 F747 V751 A752 F753 V775 G1161 E1165	V704-E749 WeakPolarHBondContact CG1-OE2 3.46Å; V704-E749 VanDerWaalsContact CG2-OE2 3.24Å; V704-E749 WeakPolarHBondContact CG2-OE2 3.4Å; S745-E749 WeakPolarHBondContact O-CG 3.43Å; S745-E749 PolarHBondContact O-N 2.98Å; F747-E749 VanDerWaalsContact C-N 3.35Å; E749-V751 VanDerWaalsContact C-N 3.33Å; E749-V751 PolarHBondContact O-N 2.98Å; E749-A752 PolarHBondContact O-N 3.38Å; E749-F753 HydrophobicContact CB-CD2 4.3Å; E749-F753 HydrophobicContact CB-CE2 4.16Å; E749-F753 WeakPolarHBondContact O-CB 3.15Å; E749-F753 WeakPolarHBondContact O-CD2 3.32Å; E749-F753 PolarHBondContact O-N 3.35Å; E749-V775 HydrophobicContact CB-CG1 4.22Å; E749-G1161 VanDerWaalsContact OE1-O 3.12Å; E749-E1165 WeakPolarHBondContact OE1-CG 3.18Å
750	T	93.9	Very high	89.7	Confident	6 Å²	6	28 Å²	28	4%	0.037	15%	0.146	C	C	.	.	H	α-helix	trans	-55.4	-49	177.9	-63.4	0	0	0	0	111.1	S746 F747 F754 F776	S746-T750 VanDerWaalsContact O-CB 3.29Å; S746-T750 WeakPolarHBondContact O-CB 3.2Å; S746-T750 PolarHBondContact O-N 2.86Å; S746-T750 PolarHBondContact O-OG1 2.76Å; F747-T750 PolarHBondContact O-N 2.94Å; T750-F754 HydrophobicContact CG2-CD2 3.63Å; T750-F754 HydrophobicContact CG2-CE2 3.47Å; T750-F754 VanDerWaalsContact CG2-CE2 3.47Å; T750-F754 WeakPolarHBondContact O-CD2 3.35Å; T750-F754 PolarHBondContact O-N 3.19Å; T750-F776 HydrophobicContact CG2-CB 3.88Å; T750-F776 HydrophobicContact CG2-CD2 4.24Å; T750-F776 HydrophobicContact CG2-CG 4.33Å
751	V	92.4	Very high	89.2	Confident	38 Å²	38	28.2 Å²	28.2	23%	0.23	15%	0.146	C	C	.	.	H	α-helix	trans	-67.7	-41.2	179.8	174.9	0	0	0	0	111.1	F747 E749 F754 L755 A1107 V1111	F747-V751 HydrophobicContact CD1-CG2 4.32Å; F747-V751 HydrophobicContact CD2-CG2 4.44Å; F747-V751 HydrophobicContact CE1-CG2 3.95Å; F747-V751 HydrophobicContact CE2-CG2 4.09Å; F747-V751 HydrophobicContact CZ-CG2 3.82Å; F747-V751 WeakPolarHBondContact O-CG2 2.89Å; F747-V751 PolarHBondContact O-N 2.73Å; E749-V751 VanDerWaalsContact C-N 3.33Å; E749-V751 PolarHBondContact O-N 2.98Å; V751-F754 PolarHBondContact O-N 3.36Å; V751-L755 HydrophobicContact CG1-CD1 3.84Å; V751-L755 HydrophobicContact CG1-CG 4.45Å; V751-L755 WeakPolarHBondContact O-CB 3.45Å; V751-L755 WeakPolarHBondContact O-CG 3.09Å; V751-L755 PolarHBondContact O-N 2.92Å; V751-A1107 HydrophobicContact CG1-CB 4.13Å; V751-V1111 HydrophobicContact CB-CG2 4.41Å; V751-V1111 HydrophobicContact CG1-CG2 4.43Å; V751-V1111 HydrophobicContact CG2-CG2 4.41Å
752	A	89.7	Confident	89	Confident	4 Å²	4	29 Å²	29	3%	0.033	15%	0.151	C	C	.	.	H	α-helix	trans	-61.6	-47	177.3	0	0	0	0	0	111.7	S748 E749 L755 G756 I1108	S748-A752 VanDerWaalsContact O-CB 3.25Å; S748-A752 WeakPolarHBondContact O-CB 3.3Å; S748-A752 PolarHBondContact O-N 2.81Å; E749-A752 PolarHBondContact O-N 3.38Å; A752-L755 PolarHBondContact O-N 2.83Å; A752-G756 PolarHBondContact O-N 3.22Å; A752-I1108 HydrophobicContact CB-CD1 4.33Å; A752-I1108 HydrophobicContact CB-CG1 4.22Å
753	F	91.3	Very high	88.6	Confident	2 Å²	2	29.2 Å²	29.2	1%	0.009	15%	0.153	C	C	.	.	H	α-helix	trans	-64	-45.8	176.2	-72.6	-54.9	0	0	0	111.8	L700 E749 L755 G756 A757 F767 S768 A771 V775 V1157	L700-F753 HydrophobicContact CD1-CZ 4.07Å; L700-F753 HydrophobicContact CD2-CE1 4.3Å; L700-F753 HydrophobicContact CD2-CE2 4Å; L700-F753 HydrophobicContact CD2-CZ 3.7Å; L700-F753 HydrophobicContact CG-CZ 4.48Å; E749-F753 HydrophobicContact CB-CD2 4.3Å; E749-F753 HydrophobicContact CB-CE2 4.16Å; E749-F753 WeakPolarHBondContact O-CB 3.15Å; E749-F753 WeakPolarHBondContact O-CD2 3.32Å; E749-F753 PolarHBondContact O-N 3.35Å; F753-L755 VanDerWaalsContact C-N 3.27Å; F753-L755 PolarHBondContact O-N 3.43Å; F753-G756 WeakPolarHBondContact O-CA 3.48Å; F753-G756 PolarHBondContact O-N 3.25Å; F753-A757 PolarHBondContact O-N 3.08Å; F753-F767 HydrophobicContact CE1-CE1 4.34Å; F753-S768 VanDerWaalsContact O-CB 3.26Å; F753-S768 WeakPolarHBondContact O-CB 3.32Å; F753-A771 HydrophobicContact CD1-CB 4.33Å; F753-A771 HydrophobicContact CD2-CB 4.47Å; F753-A771 HydrophobicContact CG-CB 4.25Å; F753-V775 HydrophobicContact CE2-CG2 4.39Å; F753-V1157 HydrophobicContact CD1-CG1 4.2Å; F753-V1157 HydrophobicContact CE1-CG1 4.23Å
754	F	92.3	Very high	88.1	Confident	77 Å²	77	27.1 Å²	27.1	34%	0.338	14%	0.144	S	C	.	.	H	α-helix	trans	-61.7	-34.1	176.9	-79.6	-51.4	0	0	0	113.3	T750 V751 A757 L769 L773	T750-F754 HydrophobicContact CG2-CD2 3.63Å; T750-F754 HydrophobicContact CG2-CE2 3.47Å; T750-F754 VanDerWaalsContact CG2-CE2 3.47Å; T750-F754 WeakPolarHBondContact O-CD2 3.35Å; T750-F754 PolarHBondContact O-N 3.19Å; V751-F754 PolarHBondContact O-N 3.36Å; F754-A757 VanDerWaalsContact O-CB 3.28Å; F754-A757 WeakPolarHBondContact O-CB 3.41Å; F754-A757 PolarHBondContact O-N 2.81Å; F754-L769 HydrophobicContact CD1-CD2 4.19Å; F754-L769 HydrophobicContact CE1-CD2 4.42Å; F754-L773 HydrophobicContact CZ-CB 4.08Å
755	L	87.3	Confident	88	Confident	55 Å²	55	33.6 Å²	33.6	29%	0.288	17%	0.168	S	C	.	.	H	α-helix	trans	-72.1	-30.2	173.9	-73.3	168.8	0	0	0	112.7	V751 A752 F753 A757 L758 V1103 A1107	V751-L755 HydrophobicContact CG1-CD1 3.84Å; V751-L755 HydrophobicContact CG1-CG 4.45Å; V751-L755 WeakPolarHBondContact O-CB 3.45Å; V751-L755 WeakPolarHBondContact O-CG 3.09Å; V751-L755 PolarHBondContact O-N 2.92Å; A752-L755 PolarHBondContact O-N 2.83Å; F753-L755 VanDerWaalsContact C-N 3.27Å; F753-L755 PolarHBondContact O-N 3.43Å; L755-A757 PolarHBondContact O-N 3.27Å; L755-L758 HydrophobicContact CD2-CD1 4.01Å; L755-L758 VanDerWaalsContact O-CB 3.32Å; L755-L758 WeakPolarHBondContact O-CB 3.48Å; L755-L758 WeakPolarHBondContact O-CG 3.45Å; L755-L758 PolarHBondContact O-N 2.82Å; L755-L758 VanDerWaalsContact O-N 3.13Å; L755-V1103 HydrophobicContact CB-CG1 3.99Å; L755-V1103 HydrophobicContact CD1-CG1 4.28Å; L755-A1107 HydrophobicContact CD1-CB 3.35Å
756	G	83.4	Confident	87.9	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-60.9	-22.2	169.4	0	0	0	0	0	113.6	A752 F753 L758 S759	A752-G756 PolarHBondContact O-N 3.22Å; F753-G756 WeakPolarHBondContact O-CA 3.48Å; F753-G756 PolarHBondContact O-N 3.25Å; G756-L758 PolarHBondContact O-N 3Å; G756-S759 PolarHBondContact O-N 3.2Å
757	A	87.8	Confident	87.8	Confident	12 Å²	12	34.4 Å²	34.4	10%	0.099	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-4.8	174.8	0	0	0	0	0	114.2	F753 F754 L755 S759 R765 L769	F753-A757 PolarHBondContact O-N 3.08Å; F754-A757 VanDerWaalsContact O-CB 3.28Å; F754-A757 WeakPolarHBondContact O-CB 3.41Å; F754-A757 PolarHBondContact O-N 2.81Å; L755-A757 PolarHBondContact O-N 3.27Å; A757-S759 PolarHBondContact O-N 3.42Å; A757-R765 HydrophobicContact CB-CG 4.46Å; A757-R765 WeakPolarHBondContact O-CG 3.37Å; A757-L769 HydrophobicContact CB-CD2 3.67Å; A757-L769 HydrophobicContact CB-CG 3.75Å
758	L	85.4	Confident	87.6	Confident	122 Å²	122	31 Å²	31	64%	0.639	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-10.1	172.3	-64.7	174.1	0	0	0	113	L755 G756	L755-L758 HydrophobicContact CD2-CD1 4.01Å; L755-L758 VanDerWaalsContact O-CB 3.32Å; L755-L758 WeakPolarHBondContact O-CB 3.48Å; L755-L758 WeakPolarHBondContact O-CG 3.45Å; L755-L758 PolarHBondContact O-N 2.82Å; L755-L758 VanDerWaalsContact O-N 3.13Å; G756-L758 PolarHBondContact O-N 3Å
759	S	83.2	Confident	87.7	Confident	9 Å²	9	33 Å²	33	6%	0.063	17%	0.169	C	C	.	.	S	Bend	trans	-62.1	143.1	174.4	-176.1	0	0	0	0	112	G756 A757 M761	G756-S759 PolarHBondContact O-N 3.2Å; A757-S759 PolarHBondContact O-N 3.42Å; S759-M761 VanDerWaalsContact C-N 3.27Å; S759-M761 PolarHBondContact O-N 3.27Å; S759-M761 PolarHBondContact OG-N 3.15Å
760	N	81.4	Confident	87.8	Confident	120 Å²	120	33 Å²	33	64%	0.642	17%	0.169	S	C	*	.	S	Bend	trans	-75.6	-15.2	176.6	-69.6	-34.3	0	0	0	113.2	S390 P762	S390-N760 VanDerWaalsContact CB-O 3.3Å; S390-N760 WeakPolarHBondContact CB-O 3.16Å; S390-N760 PolarHBondContact OG-O 3.47Å; N760-P762 WeakPolarHBondContact O-CD 3.48Å
761	M	79.9	Confident	87.7	Confident	14 Å²	14	32.7 Å²	32.7	7%	0.069	17%	0.167	C	C	.	.			trans	-74.2	118.9	179	-72.2	173.6	159	0	0	111	S759 A763 V764 R765 Q1089 I1093 A1150 L1153	S759-M761 VanDerWaalsContact C-N 3.27Å; S759-M761 PolarHBondContact O-N 3.27Å; S759-M761 PolarHBondContact OG-N 3.15Å; M761-A763 PolarHBondContact O-N 3.37Å; M761-V764 HydrophobicContact CB-CB 4.13Å; M761-V764 HydrophobicContact CB-CG2 3.88Å; M761-V764 PolarHBondContact O-N 3.14Å; M761-V764 HydrophobicContact SD-CG2 4.02Å; M761-R765 VanDerWaalsContact O-CB 3.28Å; M761-R765 WeakPolarHBondContact O-CB 3.43Å; M761-R765 PolarHBondContact O-N 3.37Å; M761-Q1089 HydrophobicContact CE-CB 3.73Å; M761-Q1089 HydrophobicContact CE-CG 4.18Å; M761-I1093 HydrophobicContact CE-CD1 4.13Å; M761-I1093 HydrophobicContact CE-CG1 4.14Å; M761-A1150 HydrophobicContact CE-CB 4.34Å; M761-A1150 HydrophobicContact SD-CB 4.03Å; M761-L1153 HydrophobicContact SD-CD2 4.07Å
762	P	85.8	Confident	87.8	Confident	25 Å²	25	30.9 Å²	30.9	16%	0.162	16%	0.156	C	C	.	.	H	α-helix	trans	-57.6	-44.5	-176.8	-25.4	34.2	0	0	0	113.7	N760 R765 T766	N760-P762 WeakPolarHBondContact O-CD 3.48Å; P762-R765 PolarHBondContact O-N 3.02Å; P762-T766 WeakPolarHBondContact O-CB 3.31Å; P762-T766 WeakPolarHBondContact O-CG2 3.45Å; P762-T766 PolarHBondContact O-N 3.39Å; P762-T766 PolarHBondContact O-OG1 3.07Å
763	A	81.4	Confident	88.1	Confident	8 Å²	8	32 Å²	32	7%	0.066	16%	0.162	C	C	.	.	H	α-helix	trans	-59	-49.3	177.9	0	0	0	0	0	113	L387 W388 M761 R765 T766 F767	L387-A763 PolarHBondContact O-N 3Å; W388-A763 HydrophobicContact CZ3-CB 4.26Å; M761-A763 PolarHBondContact O-N 3.37Å; A763-R765 PolarHBondContact O-N 3.14Å; A763-T766 PolarHBondContact O-OG1 3.01Å; A763-F767 WeakPolarHBondContact O-CB 3.35Å; A763-F767 PolarHBondContact O-N 2.7Å
764	V	83.1	Confident	88.3	Confident	1 Å²	1	32 Å²	32	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-64.9	-41.3	178.1	-176.9	0	0	0	0	111.1	M761 S768 L1153 V1154	M761-V764 HydrophobicContact CB-CB 4.13Å; M761-V764 HydrophobicContact CB-CG2 3.88Å; M761-V764 PolarHBondContact O-N 3.14Å; M761-V764 HydrophobicContact SD-CG2 4.02Å; V764-S768 WeakPolarHBondContact O-CB 3.42Å; V764-S768 PolarHBondContact O-N 2.59Å; V764-S768 PolarHBondContact O-OG 3.38Å; V764-L1153 HydrophobicContact CG2-CD2 4.23Å; V764-V1154 HydrophobicContact CB-CG2 4.33Å; V764-V1154 HydrophobicContact CG1-CG2 4.42Å; V764-V1154 HydrophobicContact CG2-CG2 3.87Å
765	R	88.8	Confident	88.5	Confident	136 Å²	136	28.3 Å²	28.3	51%	0.513	15%	0.145	S	C	.	.	H	α-helix	trans	-64.5	-50.9	-178.4	176.1	170.3	179.1	-171.8	0.1	112.1	A757 M761 P762 A763 S768 L769	A757-R765 HydrophobicContact CB-CG 4.46Å; A757-R765 WeakPolarHBondContact O-CG 3.37Å; M761-R765 VanDerWaalsContact O-CB 3.28Å; M761-R765 WeakPolarHBondContact O-CB 3.43Å; M761-R765 PolarHBondContact O-N 3.37Å; P762-R765 PolarHBondContact O-N 3.02Å; A763-R765 PolarHBondContact O-N 3.14Å; R765-S768 PolarHBondContact O-N 3.04Å; R765-L769 HydrophobicContact CG-CD1 4.42Å; R765-L769 WeakPolarHBondContact O-CG 3.5Å; R765-L769 PolarHBondContact O-N 3.13Å; R765-L769 VanDerWaalsContact O-N 3.1Å
766	T	89.9	Confident	88.9	Confident	18 Å²	18	29.2 Å²	29.2	11%	0.11	15%	0.147	C	C	.	.	H	α-helix	trans	-60.3	-52.9	176.7	51.2	0	0	0	0	110.2	V687 P762 A763 S768 L769 F770	V687-T766 HydrophobicContact CG1-CG2 4.22Å; P762-T766 WeakPolarHBondContact O-CB 3.31Å; P762-T766 WeakPolarHBondContact O-CG2 3.45Å; P762-T766 PolarHBondContact O-N 3.39Å; P762-T766 PolarHBondContact O-OG1 3.07Å; A763-T766 PolarHBondContact O-OG1 3.01Å; T766-S768 VanDerWaalsContact C-N 3.29Å; T766-S768 PolarHBondContact O-N 3.29Å; T766-L769 PolarHBondContact O-N 3.15Å; T766-L769 VanDerWaalsContact O-N 3.11Å; T766-F770 WeakPolarHBondContact O-CD2 3.37Å; T766-F770 PolarHBondContact O-N 3.31Å
767	F	89.5	Confident	89.5	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.009	15%	0.152	C	C	.	.	H	α-helix	trans	-47.9	-51.1	175.4	173.6	-94.4	0	0	0	112.8	V693 V696 I697 L700 F753 A763 L769 F770 A771 V1154	V693-F767 HydrophobicContact CG2-CB 4.35Å; V696-F767 HydrophobicContact CB-CE2 4.04Å; V696-F767 HydrophobicContact CG1-CE2 3.59Å; V696-F767 HydrophobicContact CG1-CZ 4.1Å; I697-F767 HydrophobicContact CD1-CD2 4.46Å; I697-F767 HydrophobicContact CG1-CD2 4.08Å; I697-F767 HydrophobicContact CG1-CE2 3.92Å; L700-F767 HydrophobicContact CD2-CZ 4.21Å; F753-F767 HydrophobicContact CE1-CE1 4.34Å; A763-F767 WeakPolarHBondContact O-CB 3.35Å; A763-F767 PolarHBondContact O-N 2.7Å; F767-L769 PolarHBondContact O-N 3.24Å; F767-F770 PolarHBondContact O-N 3.15Å; F767-A771 HydrophobicContact CE1-CB 4.31Å; F767-A771 HydrophobicContact CZ-CB 4.29Å; F767-A771 WeakPolarHBondContact O-CB 3.47Å; F767-A771 PolarHBondContact O-N 2.47Å; F767-V1154 HydrophobicContact CD1-CG1 3.56Å; F767-V1154 HydrophobicContact CD1-CG2 4.3Å; F767-V1154 HydrophobicContact CD2-CG1 4Å; F767-V1154 HydrophobicContact CE1-CG1 3.48Å; F767-V1154 VanDerWaalsContact CE1-CG1 3.48Å; F767-V1154 HydrophobicContact CE2-CG1 3.92Å; F767-V1154 HydrophobicContact CG-CG1 3.82Å; F767-V1154 HydrophobicContact CG-CG2 4.44Å; F767-V1154 HydrophobicContact CZ-CG1 3.65Å
768	S	90.7	Very high	89.9	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.007	15%	0.147	C	C	.	.	H	α-helix	trans	-61.4	-40.8	-178.6	-68.2	0	0	0	0	113	F753 V764 R765 T766 G772	F753-S768 VanDerWaalsContact O-CB 3.26Å; F753-S768 WeakPolarHBondContact O-CB 3.32Å; V764-S768 WeakPolarHBondContact O-CB 3.42Å; V764-S768 PolarHBondContact O-N 2.59Å; V764-S768 PolarHBondContact O-OG 3.38Å; R765-S768 PolarHBondContact O-N 3.04Å; T766-S768 VanDerWaalsContact C-N 3.29Å; T766-S768 PolarHBondContact O-N 3.29Å; S768-G772 PolarHBondContact O-N 3.25Å
769	L	93.2	Very high	90.4	Very high	41 Å²	41	24.5 Å²	24.5	22%	0.215	12%	0.12	C	C	.	.	H	α-helix	trans	-64.9	-50.9	175.9	-71.1	173.3	0	0	0	111.8	F682 F754 A757 R765 T766 F767 L773	F682-L769 HydrophobicContact CE1-CB 4.2Å; F682-L769 HydrophobicContact CE2-CB 4.22Å; F682-L769 VanDerWaalsContact CE2-O 3.27Å; F682-L769 WeakPolarHBondContact CE2-O 3.4Å; F682-L769 HydrophobicContact CZ-CB 3.78Å; F754-L769 HydrophobicContact CD1-CD2 4.19Å; F754-L769 HydrophobicContact CE1-CD2 4.42Å; A757-L769 HydrophobicContact CB-CD2 3.67Å; A757-L769 HydrophobicContact CB-CG 3.75Å; R765-L769 HydrophobicContact CG-CD1 4.42Å; R765-L769 WeakPolarHBondContact O-CG 3.5Å; R765-L769 PolarHBondContact O-N 3.13Å; R765-L769 VanDerWaalsContact O-N 3.1Å; T766-L769 PolarHBondContact O-N 3.15Å; T766-L769 VanDerWaalsContact O-N 3.11Å; F767-L769 PolarHBondContact O-N 3.24Å; L769-L773 PolarHBondContact O-N 3.14Å
770	F	93.8	Very high	90.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.3	-42.6	-179.4	-75.6	-79.4	0	0	0	111.7	S678 L679 F682 V687 L689 V693 I697 T766 F767 A774	S678-F770 PolarHBondContact OG-O 3.32Å; L679-F770 HydrophobicContact CD2-CD1 3.98Å; L679-F770 HydrophobicContact CD2-CE1 4.06Å; F682-F770 HydrophobicContact CB-CD1 3.96Å; F682-F770 HydrophobicContact CB-CE1 3.27Å; F682-F770 HydrophobicContact CB-CZ 3.61Å; F682-F770 AromaticContact CD2-CD1 3.48Å; F682-F770 HydrophobicContact CD2-CD1 3.48Å; F682-F770 VanDerWaalsContact CD2-CD1 3.48Å; F682-F770 AromaticContact CD2-CE1 3.76Å; F682-F770 HydrophobicContact CD2-CE1 3.76Å; F682-F770 HydrophobicContact CD2-CG 4.02Å; F682-F770 HydrophobicContact CD2-CZ 4.45Å; F682-F770 HydrophobicContact CE2-CD1 4.35Å; F682-F770 HydrophobicContact CG-CD1 4.07Å; F682-F770 AromaticContact CG-CE1 3.87Å; F682-F770 HydrophobicContact CG-CE1 3.87Å; F682-F770 HydrophobicContact CG-CZ 4.25Å; V687-F770 HydrophobicContact CG1-CE2 4.09Å; V687-F770 HydrophobicContact CG1-CZ 4.24Å; L689-F770 HydrophobicContact CD1-CE1 4.35Å; L689-F770 HydrophobicContact CD1-CZ 3.98Å; L689-F770 HydrophobicContact CG-CE1 4.31Å; L689-F770 HydrophobicContact CG-CZ 3.99Å; V693-F770 HydrophobicContact CG1-CB 4.37Å; V693-F770 HydrophobicContact CG1-CD2 3.98Å; V693-F770 HydrophobicContact CG1-CE2 4.44Å; V693-F770 HydrophobicContact CG1-CG 4.09Å; V693-F770 HydrophobicContact CG2-CD2 4.09Å; I697-F770 HydrophobicContact CD1-CB 3.22Å; I697-F770 HydrophobicContact CD1-CG 4.29Å; T766-F770 WeakPolarHBondContact O-CD2 3.37Å; T766-F770 PolarHBondContact O-N 3.31Å; F767-F770 PolarHBondContact O-N 3.15Å; F770-A774 WeakPolarHBondContact O-CB 3.42Å; F770-A774 PolarHBondContact O-N 3.34Å
771	A	92.6	Very high	91.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-66.2	-47.7	179.9	0	0	0	0	0	111.7	I697 L700 F753 F767 L773 A774 V775	I697-A771 HydrophobicContact CD1-CB 4.43Å; L700-A771 HydrophobicContact CD2-CB 3.79Å; F753-A771 HydrophobicContact CD1-CB 4.33Å; F753-A771 HydrophobicContact CD2-CB 4.47Å; F753-A771 HydrophobicContact CG-CB 4.25Å; F767-A771 HydrophobicContact CE1-CB 4.31Å; F767-A771 HydrophobicContact CZ-CB 4.29Å; F767-A771 WeakPolarHBondContact O-CB 3.47Å; F767-A771 PolarHBondContact O-N 2.47Å; A771-L773 VanDerWaalsContact C-N 3.35Å; A771-L773 PolarHBondContact O-N 2.75Å; A771-A774 PolarHBondContact O-N 3.31Å; A771-V775 WeakPolarHBondContact O-CG2 3.26Å; A771-V775 PolarHBondContact O-N 2.9Å
772	G	93.8	Very high	92.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.1	-44.1	179	0	0	0	0	0	112.5	S768 F776	S768-G772 PolarHBondContact O-N 3.25Å; G772-F776 WeakPolarHBondContact O-CB 3.41Å; G772-F776 PolarHBondContact O-N 3Å
773	L	95.8	Very high	92.7	Very high	29 Å²	29	21.1 Å²	21.1	15%	0.152	10%	0.099	C	C	.	.	H	α-helix	trans	-70.3	-37.4	177	-174.4	61.7	0	0	0	112.5	I681 F682 F754 L769 A771 F776 I777	I681-L773 HydrophobicContact CB-CD2 4.06Å; I681-L773 HydrophobicContact CD1-CD2 4.04Å; I681-L773 HydrophobicContact CG2-CD2 3.92Å; F682-L773 HydrophobicContact CD2-CD2 3.93Å; F682-L773 HydrophobicContact CE2-CB 3.73Å; F682-L773 HydrophobicContact CE2-CD2 3.45Å; F682-L773 VanDerWaalsContact CE2-CD2 3.45Å; F682-L773 HydrophobicContact CE2-CG 4.24Å; F682-L773 HydrophobicContact CZ-CB 4.3Å; F682-L773 HydrophobicContact CZ-CD2 3.97Å; F754-L773 HydrophobicContact CZ-CB 4.08Å; L769-L773 PolarHBondContact O-N 3.14Å; A771-L773 VanDerWaalsContact C-N 3.35Å; A771-L773 PolarHBondContact O-N 2.75Å; L773-F776 PolarHBondContact O-N 3.12Å; L773-I777 HydrophobicContact CD1-CD1 4.06Å; L773-I777 HydrophobicContact CD1-CG1 4.25Å; L773-I777 HydrophobicContact CD2-CD1 4.44Å; L773-I777 HydrophobicContact CG-CD1 3.85Å; L773-I777 HydrophobicContact CG-CG1 4.41Å; L773-I777 VanDerWaalsContact O-CG1 3.31Å; L773-I777 WeakPolarHBondContact O-CG1 3.2Å; L773-I777 PolarHBondContact O-N 2.97Å
774	A	96.3	Very high	93.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65	-45.8	179.5	0	0	0	0	0	111.6	S678 I697 V701 F770 A771 F776 I777 D778	S678-A774 PolarHBondContact OG-N 3.15Å; I697-A774 HydrophobicContact CG2-CB 4.22Å; V701-A774 HydrophobicContact CG2-CB 3.69Å; F770-A774 WeakPolarHBondContact O-CB 3.42Å; F770-A774 PolarHBondContact O-N 3.34Å; A771-A774 PolarHBondContact O-N 3.31Å; A774-F776 VanDerWaalsContact C-N 3.33Å; A774-F776 PolarHBondContact O-N 3.3Å; A774-I777 PolarHBondContact O-N 3.27Å; A774-D778 VanDerWaalsContact O-CB 3.23Å; A774-D778 WeakPolarHBondContact O-CB 3.01Å; A774-D778 PolarHBondContact O-N 2.65Å
775	V	95.1	Very high	93.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.6	-41	175.6	172.7	0	0	0	0	111.3	V701 V704 E749 F753 A771 D778 F779	V701-V775 HydrophobicContact CG2-CG2 4.38Å; V704-V775 HydrophobicContact CG1-CG1 4.35Å; E749-V775 HydrophobicContact CB-CG1 4.22Å; F753-V775 HydrophobicContact CE2-CG2 4.39Å; A771-V775 WeakPolarHBondContact O-CG2 3.26Å; A771-V775 PolarHBondContact O-N 2.9Å; V775-D778 WeakPolarHBondContact O-CB 3.22Å; V775-D778 PolarHBondContact O-N 3.07Å; V775-F779 PolarHBondContact O-N 3.01Å
776	F	95.8	Very high	94.1	Very high	75 Å²	75	15.7 Å²	15.7	33%	0.329	8%	0.082	S	C	.	.	H	α-helix	trans	-64.1	-46.2	177.5	-176.3	-110.4	0	0	0	112.8	T750 G772 L773 A774 D778 F779 L780	T750-F776 HydrophobicContact CG2-CB 3.88Å; T750-F776 HydrophobicContact CG2-CD2 4.24Å; T750-F776 HydrophobicContact CG2-CG 4.33Å; G772-F776 WeakPolarHBondContact O-CB 3.41Å; G772-F776 PolarHBondContact O-N 3Å; L773-F776 PolarHBondContact O-N 3.12Å; A774-F776 VanDerWaalsContact C-N 3.33Å; A774-F776 PolarHBondContact O-N 3.3Å; F776-D778 VanDerWaalsContact C-N 3.32Å; F776-F779 PolarHBondContact O-N 3.12Å; F776-L780 HydrophobicContact CD1-CD1 4.11Å; F776-L780 HydrophobicContact CE1-CD1 3.64Å; F776-L780 HydrophobicContact CE1-CG 4.41Å; F776-L780 HydrophobicContact CZ-CD1 4Å; F776-L780 HydrophobicContact CZ-CG 4.42Å; F776-L780 WeakPolarHBondContact O-CG 3.48Å; F776-L780 PolarHBondContact O-N 2.92Å
777	I	96.4	Very high	94.4	Very high	21 Å²	21	14.9 Å²	14.9	11%	0.108	8%	0.077	C	C	.	.	H	α-helix	trans	-65.4	-38.7	176.8	-66.5	171.9	0	0	0	110.5	I681 L773 A774 F779 L780 L781	I681-I777 HydrophobicContact CD1-CD1 3.79Å; L773-I777 HydrophobicContact CD1-CD1 4.06Å; L773-I777 HydrophobicContact CD1-CG1 4.25Å; L773-I777 HydrophobicContact CD2-CD1 4.44Å; L773-I777 HydrophobicContact CG-CD1 3.85Å; L773-I777 HydrophobicContact CG-CG1 4.41Å; L773-I777 VanDerWaalsContact O-CG1 3.31Å; L773-I777 WeakPolarHBondContact O-CG1 3.2Å; L773-I777 PolarHBondContact O-N 2.97Å; A774-I777 PolarHBondContact O-N 3.27Å; I777-F779 PolarHBondContact O-N 2.62Å; I777-L780 PolarHBondContact O-N 2.85Å; I777-L781 HydrophobicContact CG2-CD1 3.98Å; I777-L781 HydrophobicContact CG2-CG 4.17Å; I777-L781 WeakPolarHBondContact O-CG 3.26Å; I777-L781 PolarHBondContact O-N 3.36Å
778	D	95.8	Very high	94.6	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-58.4	-48.3	177.5	-171.6	49	0	0	0	111.6	S674 V701 G705 A774 V775 F776 L780 L781 Q782	S674-D778 WeakPolarHBondContact OG-CB 3.35Å; S674-D778 PolarHBondContact OG-OD1 3.49Å; V701-D778 HydrophobicContact CG1-CB 3.79Å; G705-D778 WeakPolarHBondContact CA-OD2 3.02Å; A774-D778 VanDerWaalsContact O-CB 3.23Å; A774-D778 WeakPolarHBondContact O-CB 3.01Å; A774-D778 PolarHBondContact O-N 2.65Å; V775-D778 WeakPolarHBondContact O-CB 3.22Å; V775-D778 PolarHBondContact O-N 3.07Å; F776-D778 VanDerWaalsContact C-N 3.32Å; D778-L780 VanDerWaalsContact C-N 3.35Å; D778-L780 PolarHBondContact O-N 2.95Å; D778-L781 PolarHBondContact O-N 3.07Å; D778-Q782 WeakPolarHBondContact O-CB 3.47Å; D778-Q782 VanDerWaalsContact O-CG 3.27Å; D778-Q782 WeakPolarHBondContact O-CG 3.06Å; D778-Q782 PolarHBondContact O-N 3.25Å; D778-Q782 PolarHBondContact OD1-NE2 2.9Å; D778-Q782 PolarHBondContact OD2-NE2 3.3Å
779	F	95.4	Very high	94.7	Very high	13 Å²	13	16.7 Å²	16.7	6%	0.057	9%	0.086	C	C	.	.	H	α-helix	trans	-56.9	-45.5	173.3	169.6	-99.9	0	0	0	112.4	F346 M742 F743 V775 F776 I777 L781 Q782 I783	F346-F779 HydrophobicContact CE1-CZ 4.44Å; F346-F779 HydrophobicContact CZ-CZ 4.41Å; M742-F779 HydrophobicContact CB-CE2 4.41Å; F743-F779 HydrophobicContact CB-CE2 3.99Å; F743-F779 HydrophobicContact CB-CZ 3.84Å; F743-F779 HydrophobicContact CD2-CD1 4.46Å; F743-F779 AromaticContact CD2-CE1 3.63Å; F743-F779 HydrophobicContact CD2-CE1 3.63Å; F743-F779 HydrophobicContact CD2-CE2 4.26Å; F743-F779 AromaticContact CD2-CZ 3.52Å; F743-F779 HydrophobicContact CD2-CZ 3.52Å; F743-F779 HydrophobicContact CE2-CE1 4.27Å; F743-F779 HydrophobicContact CG-CZ 4.12Å; V775-F779 PolarHBondContact O-N 3.01Å; F776-F779 PolarHBondContact O-N 3.12Å; I777-F779 PolarHBondContact O-N 2.62Å; F779-L781 PolarHBondContact O-N 3.49Å; F779-Q782 PolarHBondContact O-N 3.49Å; F779-I783 PolarHBondContact O-N 3.37Å
780	L	95	Very high	94.7	Very high	75 Å²	75	14.9 Å²	14.9	39%	0.393	8%	0.077	S	C	.	.	H	α-helix	trans	-63	-41.2	179.2	-70.5	178.7	0	0	0	112.3	F776 I777 D778 S784	F776-L780 HydrophobicContact CD1-CD1 4.11Å; F776-L780 HydrophobicContact CE1-CD1 3.64Å; F776-L780 HydrophobicContact CE1-CG 4.41Å; F776-L780 HydrophobicContact CZ-CD1 4Å; F776-L780 HydrophobicContact CZ-CG 4.42Å; F776-L780 WeakPolarHBondContact O-CG 3.48Å; F776-L780 PolarHBondContact O-N 2.92Å; I777-L780 PolarHBondContact O-N 2.85Å; D778-L780 VanDerWaalsContact C-N 3.35Å; D778-L780 PolarHBondContact O-N 2.95Å; L780-S784 WeakPolarHBondContact O-CB 3.4Å; L780-S784 PolarHBondContact O-N 2.73Å; L780-S784 PolarHBondContact O-OG 3.38Å
781	L	95.6	Very high	94.6	Very high	8 Å²	8	15.1 Å²	15.1	4%	0.042	8%	0.079	C	C	.	.	H	α-helix	trans	-71.9	-33.3	177.7	-66.1	178.8	0	0	0	111.9	V368 I670 I777 D778 F779 S784 C785 F786	V368-L781 HydrophobicContact CG2-CD1 3.92Å; V368-L781 HydrophobicContact CG2-CD2 4.01Å; I670-L781 HydrophobicContact CG2-CB 3.55Å; I670-L781 HydrophobicContact CG2-CD1 4.36Å; I777-L781 HydrophobicContact CG2-CD1 3.98Å; I777-L781 HydrophobicContact CG2-CG 4.17Å; I777-L781 WeakPolarHBondContact O-CG 3.26Å; I777-L781 PolarHBondContact O-N 3.36Å; D778-L781 PolarHBondContact O-N 3.07Å; F779-L781 PolarHBondContact O-N 3.49Å; L781-S784 PolarHBondContact O-OG 2.94Å; L781-C785 WeakPolarHBondContact O-CA 3.16Å; L781-C785 WeakPolarHBondContact O-CB 3.35Å; L781-C785 PolarHBondContact O-N 2.95Å; L781-F786 PolarHBondContact O-N 3.06Å
782	Q	94.8	Very high	94.5	Very high	3 Å²	3	18.8 Å²	18.8	1%	0.014	10%	0.098	C	C	.	.	I	π-helix	trans	-67.9	-48	176	-74.9	164.6	13.1	0	0	112.2	I670 G705 N708 D778 F779 S784 F786 V787	I670-Q782 HydrophobicContact CG2-CG 4.42Å; G705-Q782 PolarHBondContact O-NE2 2.95Å; N708-Q782 PolarHBondContact ND2-OE1 3.07Å; D778-Q782 WeakPolarHBondContact O-CB 3.47Å; D778-Q782 VanDerWaalsContact O-CG 3.27Å; D778-Q782 WeakPolarHBondContact O-CG 3.06Å; D778-Q782 PolarHBondContact O-N 3.25Å; D778-Q782 PolarHBondContact OD1-NE2 2.9Å; D778-Q782 PolarHBondContact OD2-NE2 3.3Å; F779-Q782 PolarHBondContact O-N 3.49Å; Q782-S784 PolarHBondContact O-N 3.31Å; Q782-S784 VanDerWaalsContact O-N 3.16Å; Q782-F786 VanDerWaalsContact O-CB 3.31Å; Q782-F786 WeakPolarHBondContact O-CB 3.41Å; Q782-V787 PolarHBondContact O-N 2.85Å
783	I	94.2	Very high	94.3	Very high	11 Å²	11	19.2 Å²	19.2	6%	0.056	10%	0.1	C	C	.	.	I	π-helix	trans	-69.4	-15.3	-178.3	-155	75.8	0	0	0	113.1	F346 W349 L735 A739 M742 F779	F346-I783 HydrophobicContact CD1-CD1 4.29Å; F346-I783 HydrophobicContact CD1-CG1 4.2Å; F346-I783 HydrophobicContact CE1-CD1 4.44Å; F346-I783 HydrophobicContact CE1-CG1 4.22Å; W349-I783 PolarHBondContact NE1-O 2.87Å; L735-I783 HydrophobicContact CD1-CD1 3.62Å; L735-I783 HydrophobicContact CD2-CD1 3.97Å; L735-I783 HydrophobicContact CD2-CG1 4.3Å; L735-I783 HydrophobicContact CG-CD1 3.94Å; A739-I783 HydrophobicContact CB-CD1 3.68Å; M742-I783 HydrophobicContact CE-CD1 4Å; F779-I783 PolarHBondContact O-N 3.37Å
784	S	94	Very high	94	Very high	16 Å²	16	17.8 Å²	17.8	11%	0.112	9%	0.093	C	C	.	.	I	π-helix	trans	-109.4	-72.3	-179.2	61	0	0	0	0	112.8	L780 L781 Q782 S788	L780-S784 WeakPolarHBondContact O-CB 3.4Å; L780-S784 PolarHBondContact O-N 2.73Å; L780-S784 PolarHBondContact O-OG 3.38Å; L781-S784 PolarHBondContact O-OG 2.94Å; Q782-S784 PolarHBondContact O-N 3.31Å; Q782-S784 VanDerWaalsContact O-N 3.16Å; S784-S788 WeakPolarHBondContact O-CB 3.5Å; S784-S788 PolarHBondContact O-N 3.49Å; S784-S788 VanDerWaalsContact O-N 3.17Å; S784-S788 PolarHBondContact O-OG 3.26Å
785	C	94.5	Very high	93.6	Very high	16 Å²	16	24.9 Å²	24.9	11%	0.108	12%	0.124	C	C	.	.	I	π-helix	trans	-64.5	-51.1	-175	-171.3	0	0	0	0	111	L361 I670 L781 V787 S788 L789	L361-C785 HydrophobicContact CD2-CB 4.4Å; L361-C785 WeakPolarHBondContact CD2-SG 3.42Å; I670-C785 HydrophobicContact CD1-CB 4.02Å; I670-C785 HydrophobicContact CG1-CB 4.47Å; L781-C785 WeakPolarHBondContact O-CA 3.16Å; L781-C785 WeakPolarHBondContact O-CB 3.35Å; L781-C785 PolarHBondContact O-N 2.95Å; C785-V787 PolarHBondContact O-N 3.48Å; C785-S788 WeakPolarHBondContact O-CB 3.39Å; C785-S788 PolarHBondContact O-N 2.84Å; C785-L789 WeakPolarHBondContact O-CG 3.45Å; C785-L789 PolarHBondContact O-N 3.31Å
786	F	94.9	Very high	93.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.129	C	C	.	.	I	π-helix	trans	-65.3	-42.9	-176.4	-176	-98.5	0	0	0	112.3	L663 I670 I709 I712 V713 L781 Q782 S788 L789 L790	L663-F786 HydrophobicContact CD1-CD2 4.41Å; L663-F786 HydrophobicContact CD1-CE2 3.75Å; L663-F786 HydrophobicContact CD1-CZ 4Å; L663-F786 HydrophobicContact CD2-CZ 4.09Å; L663-F786 HydrophobicContact CG-CE2 3.83Å; L663-F786 HydrophobicContact CG-CZ 3.9Å; I670-F786 HydrophobicContact CD1-CB 3.78Å; I670-F786 HydrophobicContact CD1-CD2 4.22Å; I709-F786 HydrophobicContact CB-CE1 4.39Å; I709-F786 HydrophobicContact CB-CE2 4.44Å; I709-F786 HydrophobicContact CB-CZ 4.15Å; I709-F786 HydrophobicContact CD1-CD2 4.41Å; I709-F786 HydrophobicContact CD1-CE2 4.38Å; I709-F786 HydrophobicContact CG1-CD1 4.31Å; I709-F786 HydrophobicContact CG1-CD2 4.08Å; I709-F786 HydrophobicContact CG1-CE1 4.2Å; I709-F786 HydrophobicContact CG1-CE2 3.96Å; I709-F786 HydrophobicContact CG1-CG 4.26Å; I709-F786 HydrophobicContact CG1-CZ 4.05Å; I709-F786 HydrophobicContact CG2-CE1 4.12Å; I709-F786 HydrophobicContact CG2-CE2 3.78Å; I709-F786 HydrophobicContact CG2-CZ 3.45Å; I709-F786 VanDerWaalsContact CG2-CZ 3.45Å; I712-F786 HydrophobicContact CB-CE1 4.37Å; I712-F786 HydrophobicContact CD1-CD1 4.11Å; I712-F786 HydrophobicContact CD1-CE1 4.41Å; I712-F786 HydrophobicContact CG2-CE1 4.25Å; V713-F786 HydrophobicContact CG2-CE1 3.9Å; V713-F786 HydrophobicContact CG2-CZ 3.63Å; L781-F786 PolarHBondContact O-N 3.06Å; Q782-F786 VanDerWaalsContact O-CB 3.31Å; Q782-F786 WeakPolarHBondContact O-CB 3.41Å; F786-S788 VanDerWaalsContact C-N 3.29Å; F786-S788 PolarHBondContact O-N 3.41Å; F786-L789 PolarHBondContact O-N 3.44Å; F786-L790 WeakPolarHBondContact O-CB 3.45Å; F786-L790 PolarHBondContact O-N 3.49Å
787	V	94.6	Very high	92.7	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-60.2	-39.2	174.9	176.2	0	0	0	0	111.8	C353 V354 I731 L735 Q782 C785 L790 G791	C353-V787 HydrophobicContact CB-CG1 4.11Å; V354-V787 HydrophobicContact CG2-CG1 4.21Å; I731-V787 HydrophobicContact CG2-CG1 3.95Å; L735-V787 HydrophobicContact CD1-CG2 3.74Å; L735-V787 HydrophobicContact CD2-CG1 4.21Å; L735-V787 HydrophobicContact CD2-CG2 4.03Å; Q782-V787 PolarHBondContact O-N 2.85Å; C785-V787 PolarHBondContact O-N 3.48Å; V787-L790 PolarHBondContact O-N 3.49Å; V787-G791 PolarHBondContact O-N 3.43Å
788	S	94.6	Very high	92.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.6	-41.6	176.5	-57.5	0	0	0	0	111.7	C353 S784 C785 F786 G791 L792	C353-S788 PolarHBondContact O-OG 3.1Å; S784-S788 WeakPolarHBondContact O-CB 3.5Å; S784-S788 PolarHBondContact O-N 3.49Å; S784-S788 VanDerWaalsContact O-N 3.17Å; S784-S788 PolarHBondContact O-OG 3.26Å; C785-S788 WeakPolarHBondContact O-CB 3.39Å; C785-S788 PolarHBondContact O-N 2.84Å; F786-S788 VanDerWaalsContact C-N 3.29Å; F786-S788 PolarHBondContact O-N 3.41Å; S788-G791 PolarHBondContact O-N 3.49Å; S788-L792 PolarHBondContact O-N 3.35Å
789	L	93.6	Very high	91.5	Very high	41 Å²	41	29.6 Å²	29.6	22%	0.215	15%	0.154	C	C	.	.	H	α-helix	trans	-68.3	-38.7	175.9	-66.2	175.1	0	0	0	112.2	L361 L663 A666 I670 C785 F786 G791 L792 D793	L361-L789 HydrophobicContact CD1-CD2 3.81Å; L361-L789 HydrophobicContact CD2-CD1 4.41Å; L361-L789 HydrophobicContact CD2-CD2 3.86Å; L361-L789 HydrophobicContact CD2-CG 3.88Å; L361-L789 HydrophobicContact CG-CD2 4.5Å; L663-L789 HydrophobicContact CD1-CB 4.22Å; A666-L789 HydrophobicContact CB-CD1 3.66Å; I670-L789 HydrophobicContact CD1-CD1 4.19Å; C785-L789 WeakPolarHBondContact O-CG 3.45Å; C785-L789 PolarHBondContact O-N 3.31Å; F786-L789 PolarHBondContact O-N 3.44Å; L789-G791 VanDerWaalsContact C-N 3.29Å; L789-G791 PolarHBondContact O-N 2.8Å; L789-L792 HydrophobicContact CD2-CD1 4.47Å; L789-L792 PolarHBondContact O-N 3.14Å; L789-D793 WeakPolarHBondContact O-CB 3.35Å; L789-D793 PolarHBondContact O-N 3.34Å
790	L	92.9	Very high	90.9	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-59.4	-41.4	173	177.6	65	0	0	0	111.3	L663 I712 V713 Y716 F786 V787 D793 A794	L663-L790 HydrophobicContact CD1-CB 4.45Å; L663-L790 HydrophobicContact CD2-CD1 3.81Å; I712-L790 HydrophobicContact CG2-CD2 3.67Å; V713-L790 HydrophobicContact CG2-CD1 4.45Å; Y716-L790 HydrophobicContact CD1-CD1 4.35Å; F786-L790 WeakPolarHBondContact O-CB 3.45Å; F786-L790 PolarHBondContact O-N 3.49Å; V787-L790 PolarHBondContact O-N 3.49Å; L790-D793 PolarHBondContact O-N 3.13Å; L790-A794 VanDerWaalsContact O-CB 3.29Å; L790-A794 WeakPolarHBondContact O-CB 3.34Å; L790-A794 PolarHBondContact O-N 3.36Å
791	G	91.3	Very high	90.5	Very high	5 Å²	5	31.8 Å²	31.8	5%	0.052	16%	0.158	C	C	.	.	H	α-helix	trans	-62.1	-41.3	175	0	0	0	0	0	113.2	V787 S788 L789 K795	V787-G791 PolarHBondContact O-N 3.43Å; S788-G791 PolarHBondContact O-N 3.49Å; L789-G791 VanDerWaalsContact C-N 3.29Å; L789-G791 PolarHBondContact O-N 2.8Å; G791-K795 WeakPolarHBondContact O-CB 3.25Å; G791-K795 PolarHBondContact O-N 3.45Å; G791-K795 VanDerWaalsContact O-N 3.08Å
792	L	90.9	Very high	89.9	Confident	78 Å²	78	33 Å²	33	41%	0.408	16%	0.164	S	C	.	.	H	α-helix	trans	-67.3	-41.6	175.6	-70.1	176	0	0	0	112.3	P357 L361 S788 L789 K795 R796	P357-L792 HydrophobicContact CB-CD1 4.18Å; P357-L792 HydrophobicContact CB-CD2 4.32Å; P357-L792 HydrophobicContact CB-CG 4.11Å; P357-L792 HydrophobicContact CG-CD2 3.89Å; P357-L792 HydrophobicContact CG-CG 4.24Å; L361-L792 HydrophobicContact CD1-CD1 4.08Å; S788-L792 PolarHBondContact O-N 3.35Å; L789-L792 HydrophobicContact CD2-CD1 4.47Å; L789-L792 PolarHBondContact O-N 3.14Å; L792-K795 PolarHBondContact O-N 2.7Å; L792-R796 PolarHBondContact O-N 3Å
793	D	90.1	Very high	89.1	Confident	8 Å²	8	33 Å²	33	4%	0.043	16%	0.164	C	C	.	.	H	α-helix	trans	-69.6	-36.5	178	177.9	61	0	0	0	112.2	K660 L789 L790 R796 Q797	K660-D793 WeakPolarHBondContact CD-OD2 3.41Å; K660-D793 WeakPolarHBondContact CE-OD2 3.34Å; K660-D793 IonicContact NZ-OD1 2.76Å; K660-D793 IonicContact NZ-OD2 2.81Å; K660-D793 PolarHBondContact NZ-OD2 2.01Å; L789-D793 WeakPolarHBondContact O-CB 3.35Å; L789-D793 PolarHBondContact O-N 3.34Å; L790-D793 PolarHBondContact O-N 3.13Å; D793-R796 WeakPolarHBondContact O-CB 3.13Å; D793-R796 PolarHBondContact O-N 3.47Å; D793-R796 IonicContact OD1-CZ 3.64Å; D793-R796 VanDerWaalsContact OD1-CZ 3.25Å; D793-R796 IonicContact OD1-NE 3Å; D793-R796 PolarHBondContact OD1-NE 3.07Å; D793-R796 IonicContact OD1-NH2 2.71Å; D793-R796 PolarHBondContact OD1-NH2 3.12Å; D793-Q797 PolarHBondContact O-N 3.34Å
794	A	87.8	Confident	88.3	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.7	-45.2	170.3	0	0	0	0	0	111.5	Y716 L727 I731 L790 R796 Q797 E798	Y716-A794 WeakPolarHBondContact OH-CB 3.49Å; L727-A794 HydrophobicContact CD1-CB 3.77Å; L727-A794 HydrophobicContact CD2-CB 4.09Å; I731-A794 HydrophobicContact CD1-CB 4.47Å; L790-A794 VanDerWaalsContact O-CB 3.29Å; L790-A794 WeakPolarHBondContact O-CB 3.34Å; L790-A794 PolarHBondContact O-N 3.36Å; A794-R796 VanDerWaalsContact C-N 3.3Å; A794-R796 PolarHBondContact O-N 3.07Å; A794-Q797 PolarHBondContact O-N 3.31Å; A794-E798 PolarHBondContact O-N 3.2Å
795	K	87.8	Confident	87.4	Confident	149 Å²	149	41 Å²	41	65%	0.648	21%	0.21	S	C	*	.	H	α-helix	trans	-63.7	-34.3	175.2	-168.6	174.8	-175.5	174.4	0	112.5	L727 G791 L792 G799	L727-K795 HydrophobicContact CD2-CB 4.33Å; G791-K795 WeakPolarHBondContact O-CB 3.25Å; G791-K795 PolarHBondContact O-N 3.45Å; G791-K795 VanDerWaalsContact O-N 3.08Å; L792-K795 PolarHBondContact O-N 2.7Å; K795-G799 PolarHBondContact O-N 3.48Å
796	R	88.6	Confident	86.2	Confident	26 Å²	26	43.4 Å²	43.4	10%	0.098	23%	0.226	C	C	.	.	H	α-helix	trans	-64.2	-47.4	172	178.7	-160.8	64.4	87.1	-11.2	111	V657 S659 L792 D793 A794 G799 N800 R801 D803	V657-R796 PolarHBondContact O-NH1 3.43Å; V657-R796 PolarHBondContact O-NH2 3.3Å; S659-R796 PolarHBondContact O-NH2 2.64Å; L792-R796 PolarHBondContact O-N 3Å; D793-R796 WeakPolarHBondContact O-CB 3.13Å; D793-R796 PolarHBondContact O-N 3.47Å; D793-R796 IonicContact OD1-CZ 3.64Å; D793-R796 VanDerWaalsContact OD1-CZ 3.25Å; D793-R796 IonicContact OD1-NE 3Å; D793-R796 PolarHBondContact OD1-NE 3.07Å; D793-R796 IonicContact OD1-NH2 2.71Å; D793-R796 PolarHBondContact OD1-NH2 3.12Å; A794-R796 VanDerWaalsContact C-N 3.3Å; A794-R796 PolarHBondContact O-N 3.07Å; R796-G799 CarbonylContact O-C 3.57Å; R796-G799 WeakPolarHBondContact O-CA 3.49Å; R796-G799 PolarHBondContact O-N 2.86Å; R796-G799 VanDerWaalsContact O-N 3.13Å; R796-N800 PolarHBondContact O-N 3.06Å; R796-R801 HydrophobicContact CG-CB 4.04Å; R796-R801 PolarHBondContact NH1-O 3.18Å; R796-D803 IonicContact CZ-OD1 3.46Å; R796-D803 IonicContact NE-OD1 2.71Å; R796-D803 VanDerWaalsContact NH1-CA 3.28Å; R796-D803 IonicContact NH2-OD1 3.67Å; R796-D803 PolarHBondContact NH2-OD1 3.38Å
797	Q	83.9	Confident	85.3	Confident	46 Å²	46	49.5 Å²	49.5	22%	0.215	27%	0.268	C	S	.	.	H	α-helix	trans	-65.5	-41.6	-177.1	-168.6	178.5	3.4	0	0	112	D658 D793 A794 G799 N800	D658-Q797 PolarHBondContact OD1-NE2 2.95Å; D658-Q797 VanDerWaalsContact OD1-NE2 3.12Å; D793-Q797 PolarHBondContact O-N 3.34Å; A794-Q797 PolarHBondContact O-N 3.31Å; Q797-G799 PolarHBondContact O-N 3.36Å; Q797-N800 PolarHBondContact O-N 3.16Å; Q797-N800 VanDerWaalsContact O-N 3.12Å
798	E	83.9	Confident	84.6	Confident	94 Å²	94	53.1 Å²	53.1	44%	0.439	29%	0.289	S	S	.	.	H	α-helix	trans	-61.5	-32.1	172.6	-72.3	179.6	174	0	0	112.3	R721 A794 N800	R721-E798 IonicContact CZ-OE1 2.77Å; R721-E798 IonicContact NH1-OE1 3.53Å; R721-E798 PolarHBondContact NH1-OE1 3.44Å; R721-E798 IonicContact NH2-OE1 3.02Å; R721-E798 PolarHBondContact NH2-OE1 2.87Å; A794-E798 PolarHBondContact O-N 3.2Å; E798-N800 PolarHBondContact O-N 3.37Å
799	G	83	Confident	83.8	Confident	30 Å²	30	60 Å²	60	31%	0.309	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	4.9	175.8	0	0	0	0	0	115.6	K795 R796 Q797 R801	K795-G799 PolarHBondContact O-N 3.48Å; R796-G799 CarbonylContact O-C 3.57Å; R796-G799 WeakPolarHBondContact O-CA 3.49Å; R796-G799 PolarHBondContact O-N 2.86Å; R796-G799 VanDerWaalsContact O-N 3.13Å; Q797-G799 PolarHBondContact O-N 3.36Å; G799-R801 VanDerWaalsContact C-N 3.27Å; G799-R801 PolarHBondContact O-N 3.35Å
800	N	83.6	Confident	82.9	Confident	24 Å²	24	61.4 Å²	61.4	13%	0.128	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	40.8	-177.7	-67.9	-49.5	0	0	0	114.3	R654 R796 Q797 E798 K809 L810 E812	R654-N800 PolarHBondContact NH2-OD1 2.77Å; R796-N800 PolarHBondContact O-N 3.06Å; Q797-N800 PolarHBondContact O-N 3.16Å; Q797-N800 VanDerWaalsContact O-N 3.12Å; E798-N800 PolarHBondContact O-N 3.37Å; N800-K809 WeakPolarHBondContact O-CA 3.35Å; N800-L810 PolarHBondContact O-N 2.77Å; N800-E812 WeakPolarHBondContact ND2-CG 3.48Å
801	R	85.2	Confident	81.8	Confident	109 Å²	109	67.1 Å²	67.1	41%	0.411	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-98.3	146.3	177	-60.3	178	-167.7	-165.1	3.9	111.1	R796 G799 C806 V808 K809	R796-R801 HydrophobicContact CG-CB 4.04Å; R796-R801 PolarHBondContact NH1-O 3.18Å; G799-R801 VanDerWaalsContact C-N 3.27Å; G799-R801 PolarHBondContact O-N 3.35Å; R801-C806 WeakPolarHBondContact CD-O 3.48Å; R801-V808 WeakPolarHBondContact CA-O 3.46Å; R801-K809 HydrophobicContact CG-CG 3.94Å
802	L	83.4	Confident	80.1	Confident	33 Å²	33	74.6 Å²	74.6	17%	0.173	40%	0.397	C	S	.	.			trans	-61	150.8	172.1	-61.8	176	0	0	0	111.4	L656 V657 C805 V808 L810	L656-L802 HydrophobicContact CB-CD2 3.75Å; V657-L802 HydrophobicContact CG2-CD2 3.75Å; L802-C805 HydrophobicContact CB-CB 4.41Å; L802-C805 HydrophobicContact CD1-CB 4.38Å; L802-V808 HydrophobicContact CD1-CB 3.74Å; L802-V808 HydrophobicContact CD1-CG1 3.98Å; L802-V808 HydrophobicContact CD1-CG2 4.35Å; L802-V808 HydrophobicContact CG-CB 4.25Å; L802-V808 PolarHBondContact N-O 3.3Å; L802-L810 HydrophobicContact CD2-CD1 3.62Å; L802-L810 HydrophobicContact CG-CD1 4.15Å
803	D	78.4	Confident	78.3	Confident	3 Å²	3	81 Å²	81	2%	0.016	42%	0.416	C	S	.	.	S	Bend	trans	-68.7	-57.9	-173.8	-172	23.9	0	0	0	113.3	L656 S659 I661 S662 R796 C806	L656-D803 PolarHBondContact O-N 3.44Å; S659-D803 VanDerWaalsContact O-CG 3.25Å; S659-D803 VanDerWaalsContact O-OD2 3.05Å; S659-D803 VanDerWaalsContact OG-CB 3.27Å; S659-D803 WeakPolarHBondContact OG-CB 3.18Å; S659-D803 PolarHBondContact OG-OD2 3.31Å; I661-D803 PolarHBondContact N-OD2 3.35Å; S662-D803 VanDerWaalsContact CB-OD1 3.24Å; S662-D803 WeakPolarHBondContact CB-OD1 3.29Å; S662-D803 PolarHBondContact N-OD2 2.89Å; S662-D803 PolarHBondContact OG-OD1 3.5Å; R796-D803 IonicContact CZ-OD1 3.46Å; R796-D803 IonicContact NE-OD1 2.71Å; R796-D803 VanDerWaalsContact NH1-CA 3.28Å; R796-D803 IonicContact NH2-OD1 3.67Å; R796-D803 PolarHBondContact NH2-OD1 3.38Å; D803-C806 PolarHBondContact O-SG 3.37Å
804	I	77.2	Confident	76.1	Confident	120 Å²	120	90.3 Å²	90.3	62%	0.615	46%	0.459	S	S	*	.	S	Bend	trans	-81.3	-37.7	-179.4	-59.6	171.5	0	0	0	111.3	I661	I661-I804 HydrophobicContact CD1-CD1 4.36Å; I661-I804 HydrophobicContact CG2-CD1 4.2Å
805	C	76	Confident	74.4	Confident	77 Å²	77	97.7 Å²	97.7	52%	0.52	49%	0.494	S	S	.	.			trans	-103.9	71.8	-178.5	-68.4	0	0	0	0	111.2	L802 C807 V808	L802-C805 HydrophobicContact CB-CB 4.41Å; L802-C805 HydrophobicContact CD1-CB 4.38Å; C805-C807 PolarHBondContact O-N 2.9Å; C805-V808 PolarHBondContact O-N 2.9Å
806	C	69.1	Low	72.7	Confident	65 Å²	65	95 Å²	95	44%	0.439	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-9.6	-173.6	-62.4	0	0	0	0	116.4	R801 D803	R801-C806 WeakPolarHBondContact CD-O 3.48Å; D803-C806 PolarHBondContact O-SG 3.37Å
807	C	76.2	Confident	71.2	Confident	129 Å²	129	100.2 Å²	100.2	87%	0.872	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-14.9	-177	-59.4	0	0	0	0	114.4	C805	C805-C807 PolarHBondContact O-N 2.9Å
808	V	78.7	Confident	70.1	Confident	76 Å²	76	102.5 Å²	102.5	46%	0.461	54%	0.54	S	S	.	.			trans	-103.9	126.5	-174.9	-176.1	0	0	0	0	110.6	R801 L802 C805	R801-V808 WeakPolarHBondContact CA-O 3.46Å; L802-V808 HydrophobicContact CD1-CB 3.74Å; L802-V808 HydrophobicContact CD1-CG1 3.98Å; L802-V808 HydrophobicContact CD1-CG2 4.35Å; L802-V808 HydrophobicContact CG-CB 4.25Å; L802-V808 PolarHBondContact N-O 3.3Å; C805-V808 PolarHBondContact O-N 2.9Å
809	K	79.4	Confident	69.4	Low	144 Å²	144	102.6 Å²	102.6	63%	0.626	54%	0.54	S	S	*	.	B	Isolated β-bridge	trans	-105.6	137.2	177	-73.4	-179	177.6	-177.8	0	111.3	N800 R801	N800-K809 WeakPolarHBondContact O-CA 3.35Å; R801-K809 HydrophobicContact CG-CG 3.94Å
810	L	74.1	Confident	68.8	Low	72 Å²	72	102.1 Å²	102.1	38%	0.377	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-97.1	152.6	170.3	-86.1	102	0	0	0	112.2	V657 N800 L802	V657-L810 HydrophobicContact CG2-CD1 3.67Å; N800-L810 PolarHBondContact O-N 2.77Å; L802-L810 HydrophobicContact CD2-CD1 3.62Å; L802-L810 HydrophobicContact CG-CD1 4.15Å
811	P	68.9	Low	68.7	Low	121 Å²	121	108.3 Å²	108.3	79%	0.786	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-68.1	142.2	178.5	25.1	-31.5	0	0	0	112.8
812	E	56.4	Low	68.6	Low	163 Å²	163	105.6 Å²	105.6	76%	0.762	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-69.2	130.2	-176.8	-86.4	174.5	-177	0	0	113.2	N800	N800-E812 WeakPolarHBondContact ND2-CG 3.48Å
813	R	51.8	Low	68.7	Low	213 Å²	213	104.9 Å²	104.9	80%	0.804	56%	0.556	S	S	*	*			trans	-144.1	128.8	164.1	-140.4	176.5	-170.3	-178.8	2	109.7
814	Q	43.9	Very low	69	Low	203 Å²	203	111.3 Å²	111.3	95%	0.949	58%	0.58	S	S	*	*			trans	-76.8	122.3	177.3	-85.7	173.9	-27.4	0	0	110.2
815	E	52.4	Low	69.7	Low	155 Å²	155	110.5 Å²	110.5	72%	0.724	57%	0.573	S	S	*	*			trans	-129.4	149.3	167.8	-73.9	-174	177.9	0	0	109.9
816	A	52.9	Low	70.3	Confident	92 Å²	92	107.1 Å²	107.1	76%	0.76	55%	0.549	S	S	*	.			trans	-72.1	136.7	-175.6	0	0	0	0	0	111.8	T818	A816-T818 PolarHBondContact O-N 3.18Å
817	K	57.8	Low	71.3	Confident	136 Å²	136	108 Å²	108	59%	0.591	55%	0.546	S	S	*	.			trans	-58.3	128.4	171.5	-75.6	-173.5	174.6	-172.3	0	109.6	D719	D719-K817 PolarHBondContact O-NZ 3.29Å
818	T	60.7	Low	71.9	Confident	93 Å²	93	107.5 Å²	107.5	57%	0.571	53%	0.529	S	S	*	.			trans	-109.9	139.3	175	25.9	0	0	0	0	110.1	H650 A816	H650-T818 PolarHBondContact ND1-OG1 3.31Å; A816-T818 PolarHBondContact O-N 3.18Å
819	E	67.9	Low	72.5	Confident	97 Å²	97	110.8 Å²	110.8	45%	0.453	54%	0.537	S	S	.	.			trans	-63.9	140.9	175.8	-69.3	-175.6	156.8	0	0	110.8	K827	E819-K827 IonicContact OE1-NZ 3.63Å; E819-K827 PolarHBondContact OE1-NZ 3.23Å
820	G	71.7	Confident	73.2	Confident	19 Å²	19	106.6 Å²	106.6	20%	0.196	52%	0.518	C	S	.	.			trans	-67.3	146.9	179.7	0	0	0	0	0	114.4	H648 L822 F823 R824	H648-G820 WeakPolarHBondContact CE1-CA 3.21Å; G820-L822 PolarHBondContact O-N 2.73Å; G820-F823 PolarHBondContact O-N 2.76Å; G820-R824 WeakPolarHBondContact O-CB 3.43Å; G820-R824 PolarHBondContact O-N 3.02Å
821	L	80.6	Confident	74	Confident	154 Å²	154	103.2 Å²	103.2	81%	0.806	50%	0.5	S	S	*	.	H	α-helix	trans	-58.7	-42.8	-172.8	-164.8	144.7	0	0	0	112.9	R824 F825	L821-R824 PolarHBondContact O-N 3.16Å; L821-F825 PolarHBondContact O-N 2.87Å
822	L	82.6	Confident	75	Confident	53 Å²	53	99.3 Å²	99.3	28%	0.277	48%	0.475	S	S	.	.	H	α-helix	trans	-69.2	-42.6	-179.9	-164.6	143.4	0	0	0	112.2	G820 F825 F826 S1195 F1198	G820-L822 PolarHBondContact O-N 2.73Å; L822-F825 WeakPolarHBondContact O-CB 3.44Å; L822-F825 PolarHBondContact O-N 2.87Å; L822-F826 HydrophobicContact CD2-CD2 3.88Å; L822-F826 HydrophobicContact CD2-CE2 3.95Å; L822-F826 HydrophobicContact CG-CD2 4.42Å; L822-F826 HydrophobicContact CG-CE2 4.47Å; L822-F826 WeakPolarHBondContact O-CD2 3.43Å; L822-F826 PolarHBondContact O-N 2.94Å; L822-S1195 VanDerWaalsContact CD2-CB 3.47Å; L822-S1195 WeakPolarHBondContact CD2-O 3.34Å; L822-F1198 HydrophobicContact CD1-CD1 4.21Å
823	F	85.1	Confident	76.8	Confident	17 Å²	17	96.7 Å²	96.7	8%	0.075	46%	0.461	C	S	.	.	H	α-helix	trans	-62.8	-43.6	174.2	177.1	-105.3	0	0	0	111.7	G820 F825 F826 K827 A1191 H1192	G820-F823 PolarHBondContact O-N 2.76Å; F823-F825 VanDerWaalsContact C-N 3.31Å; F823-F825 PolarHBondContact O-N 3.09Å; F823-F826 PolarHBondContact O-N 3.24Å; F823-K827 HydrophobicContact CD1-CD 4.47Å; F823-K827 HydrophobicContact CE1-CD 3.64Å; F823-K827 HydrophobicContact CZ-CD 3.79Å; F823-K827 VanDerWaalsContact O-CB 3.27Å; F823-K827 WeakPolarHBondContact O-CB 2.98Å; F823-K827 PolarHBondContact O-N 2.87Å; F823-A1191 WeakPolarHBondContact CD2-O 3.38Å; F823-H1192 AromaticContact CE2-CE1 3.77Å; F823-H1192 AromaticContact CE2-CG 4Å; F823-H1192 AromaticContact CE2-ND1 3.72Å; F823-H1192 AromaticContact CZ-CE1 3.6Å; F823-H1192 AromaticContact CZ-NE2 3.82Å
824	R	86	Confident	78.8	Confident	138 Å²	138	86.8 Å²	86.8	52%	0.521	42%	0.424	S	S	.	.	H	α-helix	trans	-62.1	-38	176.5	-176.2	173.8	172.9	164.7	-0.9	112.2	G820 L821 K828	G820-R824 WeakPolarHBondContact O-CB 3.43Å; G820-R824 PolarHBondContact O-N 3.02Å; L821-R824 PolarHBondContact O-N 3.16Å; R824-K828 HydrophobicContact CG-CD 4.1Å; R824-K828 HydrophobicContact CG-CG 4.42Å; R824-K828 VanDerWaalsContact O-CB 3.32Å; R824-K828 WeakPolarHBondContact O-CB 3.34Å; R824-K828 PolarHBondContact O-N 3.19Å
825	F	90.4	Very high	81.1	Confident	104 Å²	104	77.6 Å²	77.6	46%	0.456	38%	0.381	S	S	.	.	H	α-helix	trans	-62.7	-49.2	173.4	173.4	-98.2	0	0	0	111.6	L821 L822 F823 K827 F829 Y830	L821-F825 PolarHBondContact O-N 2.87Å; L822-F825 WeakPolarHBondContact O-CB 3.44Å; L822-F825 PolarHBondContact O-N 2.87Å; F823-F825 VanDerWaalsContact C-N 3.31Å; F823-F825 PolarHBondContact O-N 3.09Å; F825-K827 PolarHBondContact O-N 3.16Å; F825-F829 HydrophobicContact CD2-CB 4.3Å; F825-F829 HydrophobicContact CE2-CB 4.32Å; F825-F829 WeakPolarHBondContact O-CB 3.44Å; F825-F829 PolarHBondContact O-N 3.41Å; F825-Y830 HydrophobicContact CE1-CD2 4.3Å; F825-Y830 HydrophobicContact CE1-CG 4.36Å; F825-Y830 PolarHBondContact O-N 2.9Å; F825-Y830 VanDerWaalsContact O-N 3.13Å
826	F	90.4	Very high	82.9	Confident	6 Å²	6	74.8 Å²	74.8	3%	0.026	37%	0.366	C	S	.	.	I	π-helix	trans	-61.4	-46.7	179.2	-94.3	-102.4	0	0	0	112.3	L822 F823 Y830 A831 L1190 F1198	L822-F826 HydrophobicContact CD2-CD2 3.88Å; L822-F826 HydrophobicContact CD2-CE2 3.95Å; L822-F826 HydrophobicContact CG-CD2 4.42Å; L822-F826 HydrophobicContact CG-CE2 4.47Å; L822-F826 WeakPolarHBondContact O-CD2 3.43Å; L822-F826 PolarHBondContact O-N 2.94Å; F823-F826 PolarHBondContact O-N 3.24Å; F826-Y830 AromaticContact CD1-CD1 3.65Å; F826-Y830 HydrophobicContact CD1-CD1 3.65Å; F826-Y830 HydrophobicContact CD1-CE1 4.21Å; F826-Y830 HydrophobicContact CD1-CG 4.43Å; F826-Y830 AromaticContact CE1-CD1 3.54Å; F826-Y830 HydrophobicContact CE1-CD1 3.54Å; F826-Y830 AromaticContact CE1-CE1 3.66Å; F826-Y830 HydrophobicContact CE1-CE1 3.66Å; F826-Y830 HydrophobicContact CE1-CG 4.42Å; F826-Y830 HydrophobicContact CG-CD1 4.4Å; F826-Y830 HydrophobicContact CZ-CD1 4.22Å; F826-Y830 HydrophobicContact CZ-CE1 4.26Å; F826-A831 VanDerWaalsContact O-CB 3.32Å; F826-A831 WeakPolarHBondContact O-CB 3.44Å; F826-A831 PolarHBondContact O-N 3.11Å; F826-L1190 HydrophobicContact CE1-CD1 4.44Å; F826-F1198 HydrophobicContact CE2-CB 4.35Å; F826-F1198 HydrophobicContact CE2-CD1 4.12Å; F826-F1198 HydrophobicContact CE2-CG 4.31Å; F826-F1198 HydrophobicContact CZ-CB 3.9Å; F826-F1198 HydrophobicContact CZ-CD1 4.3Å; F826-F1198 HydrophobicContact CZ-CG 4.04Å
827	K	88.3	Confident	84.4	Confident	84 Å²	84	76.1 Å²	76.1	37%	0.365	36%	0.357	S	S	.	.	I	π-helix	trans	-68.7	-41.8	-178.5	-176.9	175.8	174	-177.6	0	113.5	E819 F823 F825 P832 A1191	E819-K827 IonicContact OE1-NZ 3.63Å; E819-K827 PolarHBondContact OE1-NZ 3.23Å; F823-K827 HydrophobicContact CD1-CD 4.47Å; F823-K827 HydrophobicContact CE1-CD 3.64Å; F823-K827 HydrophobicContact CZ-CD 3.79Å; F823-K827 VanDerWaalsContact O-CB 3.27Å; F823-K827 WeakPolarHBondContact O-CB 2.98Å; F823-K827 PolarHBondContact O-N 2.87Å; F825-K827 PolarHBondContact O-N 3.16Å; K827-P832 WeakPolarHBondContact O-CG 3.44Å; K827-A1191 HydrophobicContact CB-CB 4.16Å
828	K	89.6	Confident	85.8	Confident	118 Å²	118	77.7 Å²	77.7	51%	0.513	36%	0.359	S	S	.	.	I	π-helix	trans	-94.9	-28	-173.1	-66.4	-166.4	174.6	-171.5	0	114.9	R824	R824-K828 HydrophobicContact CG-CD 4.1Å; R824-K828 HydrophobicContact CG-CG 4.42Å; R824-K828 VanDerWaalsContact O-CB 3.32Å; R824-K828 WeakPolarHBondContact O-CB 3.34Å; R824-K828 PolarHBondContact O-N 3.19Å
829	F	91.4	Very high	87.3	Confident	145 Å²	145	73.9 Å²	73.9	64%	0.636	34%	0.336	S	S	*	.	I	π-helix	trans	-118.8	-56.6	-173	-70.1	-79.5	0	0	0	112.5	F825 F833	F825-F829 HydrophobicContact CD2-CB 4.3Å; F825-F829 HydrophobicContact CE2-CB 4.32Å; F825-F829 WeakPolarHBondContact O-CB 3.44Å; F825-F829 PolarHBondContact O-N 3.41Å; F829-F833 WeakPolarHBondContact O-CB 3Å; F829-F833 PolarHBondContact O-N 3.22Å
830	Y	93.3	Very high	88.5	Confident	56 Å²	56	70.5 Å²	70.5	22%	0.22	32%	0.319	C	S	.	.	I	π-helix	trans	-71.4	-55.5	-168.5	-173.5	-104.7	0	0	0	113.7	F825 F826 F833 I834 L1190 V1241	F825-Y830 HydrophobicContact CE1-CD2 4.3Å; F825-Y830 HydrophobicContact CE1-CG 4.36Å; F825-Y830 PolarHBondContact O-N 2.9Å; F825-Y830 VanDerWaalsContact O-N 3.13Å; F826-Y830 AromaticContact CD1-CD1 3.65Å; F826-Y830 HydrophobicContact CD1-CD1 3.65Å; F826-Y830 HydrophobicContact CD1-CE1 4.21Å; F826-Y830 HydrophobicContact CD1-CG 4.43Å; F826-Y830 AromaticContact CE1-CD1 3.54Å; F826-Y830 HydrophobicContact CE1-CD1 3.54Å; F826-Y830 AromaticContact CE1-CE1 3.66Å; F826-Y830 HydrophobicContact CE1-CE1 3.66Å; F826-Y830 HydrophobicContact CE1-CG 4.42Å; F826-Y830 HydrophobicContact CG-CD1 4.4Å; F826-Y830 HydrophobicContact CZ-CD1 4.22Å; F826-Y830 HydrophobicContact CZ-CE1 4.26Å; Y830-F833 PolarHBondContact O-N 3.2Å; Y830-F833 VanDerWaalsContact O-N 3.15Å; Y830-I834 HydrophobicContact CD1-CD1 3.98Å; Y830-I834 HydrophobicContact CD2-CD1 4.12Å; Y830-I834 HydrophobicContact CE1-CD1 3.41Å; Y830-I834 VanDerWaalsContact CE1-CD1 3.41Å; Y830-I834 HydrophobicContact CE2-CD1 3.56Å; Y830-I834 HydrophobicContact CE2-CG1 4.47Å; Y830-I834 HydrophobicContact CG-CD1 4.32Å; Y830-I834 PolarHBondContact O-N 3.37Å; Y830-I834 VanDerWaalsContact O-N 3.09Å; Y830-I834 WeakPolarHBondContact OH-CD1 3.47Å; Y830-L1190 HydrophobicContact CD1-CD2 4.17Å; Y830-L1190 HydrophobicContact CD1-CG 4.47Å; Y830-L1190 HydrophobicContact CE1-CD1 4.34Å; Y830-L1190 HydrophobicContact CE1-CD2 4.13Å; Y830-L1190 HydrophobicContact CE1-CG 4.47Å; Y830-V1241 WeakPolarHBondContact OH-CG2 3.36Å
831	A	90.9	Very high	89.4	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.5	-44.3	-177	0	0	0	0	0	112.7	F826 F833 L835 E1187 L1190	F826-A831 VanDerWaalsContact O-CB 3.32Å; F826-A831 WeakPolarHBondContact O-CB 3.44Å; F826-A831 PolarHBondContact O-N 3.11Å; A831-F833 VanDerWaalsContact C-N 3.28Å; A831-F833 PolarHBondContact O-N 3.5Å; A831-L835 WeakPolarHBondContact O-CB 3.35Å; A831-L835 PolarHBondContact O-N 3.29Å; A831-E1187 HydrophobicContact CB-CG 3.78Å; A831-L1190 HydrophobicContact CB-CB 4.29Å; A831-L1190 HydrophobicContact CB-CD2 3.88Å; A831-L1190 HydrophobicContact CB-CG 4.15Å
832	P	91.8	Very high	89.9	Confident	40 Å²	40	67.6 Å²	67.6	26%	0.26	30%	0.3	S	S	.	.	H	α-helix	trans	-62	-32.8	173.1	-22.2	31.7	0	0	0	113.5	K827 K836	K827-P832 WeakPolarHBondContact O-CG 3.44Å; P832-K836 WeakPolarHBondContact O-CG 3.29Å
833	F	93.8	Very high	90.5	Very high	107 Å²	107	65.9 Å²	65.9	47%	0.469	29%	0.291	S	S	.	.	H	α-helix	trans	-70.7	-49.3	-179	173.9	-100.9	0	0	0	112.4	F829 Y830 A831 L835 K836	F829-F833 WeakPolarHBondContact O-CB 3Å; F829-F833 PolarHBondContact O-N 3.22Å; Y830-F833 PolarHBondContact O-N 3.2Å; Y830-F833 VanDerWaalsContact O-N 3.15Å; A831-F833 VanDerWaalsContact C-N 3.28Å; A831-F833 PolarHBondContact O-N 3.5Å; F833-L835 VanDerWaalsContact C-N 3.28Å; F833-L835 PolarHBondContact O-N 3.27Å; F833-K836 WeakPolarHBondContact O-CB 3.46Å; F833-K836 PolarHBondContact O-N 2.9Å
834	I	93.1	Very high	90.9	Very high	6 Å²	6	66 Å²	66	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-63.4	-36.7	-178.7	-73.2	-178.9	0	0	0	111.5	Y830 K836 R840 I843 V1241 V1245	Y830-I834 HydrophobicContact CD1-CD1 3.98Å; Y830-I834 HydrophobicContact CD2-CD1 4.12Å; Y830-I834 HydrophobicContact CE1-CD1 3.41Å; Y830-I834 VanDerWaalsContact CE1-CD1 3.41Å; Y830-I834 HydrophobicContact CE2-CD1 3.56Å; Y830-I834 HydrophobicContact CE2-CG1 4.47Å; Y830-I834 HydrophobicContact CG-CD1 4.32Å; Y830-I834 PolarHBondContact O-N 3.37Å; Y830-I834 VanDerWaalsContact O-N 3.09Å; Y830-I834 WeakPolarHBondContact OH-CD1 3.47Å; I834-K836 VanDerWaalsContact C-N 3.32Å; I834-K836 PolarHBondContact O-N 3.01Å; I834-R840 WeakPolarHBondContact O-CG 3.43Å; I834-I843 HydrophobicContact CG2-CD1 3.86Å; I834-V1241 HydrophobicContact CD1-CG1 4.38Å; I834-V1241 HydrophobicContact CD1-CG2 4.48Å; I834-V1245 HydrophobicContact CG2-CG2 3.59Å
835	L	91.4	Very high	91.3	Very high	9 Å²	9	60.2 Å²	60.2	5%	0.047	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	4.4	-175.8	-66.8	170.4	0	0	0	114.1	A831 F833 R840 V1183 A1186 E1187	A831-L835 WeakPolarHBondContact O-CB 3.35Å; A831-L835 PolarHBondContact O-N 3.29Å; F833-L835 VanDerWaalsContact C-N 3.28Å; F833-L835 PolarHBondContact O-N 3.27Å; L835-R840 PolarHBondContact O-NE 3.48Å; L835-V1183 HydrophobicContact CB-CG1 4.1Å; L835-A1186 HydrophobicContact CD1-CB 4.01Å; L835-A1186 HydrophobicContact CD2-CB 4.12Å; L835-E1187 VanDerWaalsContact CD1-CA 3.47Å; L835-E1187 HydrophobicContact CD1-CB 3.61Å; L835-E1187 HydrophobicContact CD1-CG 4.24Å
836	K	90.8	Very high	91.5	Very high	96 Å²	96	59.2 Å²	59.2	42%	0.417	28%	0.277	S	S	.	.	S	Bend	trans	-58.1	143.1	173.2	-76.3	-177.6	-178.6	178.5	0	111.7	P832 F833 I834 W838 V839 R840	P832-K836 WeakPolarHBondContact O-CG 3.29Å; F833-K836 WeakPolarHBondContact O-CB 3.46Å; F833-K836 PolarHBondContact O-N 2.9Å; I834-K836 VanDerWaalsContact C-N 3.32Å; I834-K836 PolarHBondContact O-N 3.01Å; K836-W838 PolarHBondContact O-N 3.26Å; K836-W838 VanDerWaalsContact O-N 3.08Å; K836-V839 HydrophobicContact CB-CB 4.18Å; K836-V839 HydrophobicContact CB-CG2 3.88Å; K836-V839 PolarHBondContact O-N 2.91Å; K836-V839 VanDerWaalsContact O-N 3.07Å; K836-R840 WeakPolarHBondContact O-CG 3.13Å; K836-R840 PolarHBondContact O-N 2.93Å; K836-R840 VanDerWaalsContact O-N 3.17Å
837	E	85.3	Confident	91.7	Very high	121 Å²	121	59.8 Å²	59.8	57%	0.565	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-29.9	-176	-66.8	-165.2	152.1	0	0	114.5	R298 P841	R298-E837 IonicContact CZ-OE1 3.84Å; R298-E837 IonicContact NH1-OE1 3.24Å; R298-E837 PolarHBondContact NH1-OE1 3.07Å; R298-E837 IonicContact NH1-OE2 3.14Å; R298-E837 PolarHBondContact NH1-OE2 2.02Å; R298-E837 IonicContact NH2-OE1 2.8Å; E837-P841 WeakPolarHBondContact O-CD 3.32Å
838	W	87.6	Confident	92	Very high	168 Å²	168	57.2 Å²	57.2	64%	0.636	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-19.4	178.8	66.7	-84.6	0	0	0	114.3	K836 I842	K836-W838 PolarHBondContact O-N 3.26Å; K836-W838 VanDerWaalsContact O-N 3.08Å; W838-I842 HydrophobicContact CE3-CD1 4.02Å; W838-I842 HydrophobicContact CZ3-CD1 4.28Å; W838-I842 WeakPolarHBondContact O-CD1 3.39Å
839	V	92.3	Very high	92.3	Very high	13 Å²	13	52.3 Å²	52.3	8%	0.079	25%	0.253	C	S	.	.	H	α-helix	trans	-82.8	-39.6	-179.9	178.1	0	0	0	0	110.6	K836 I842 I843	K836-V839 HydrophobicContact CB-CB 4.18Å; K836-V839 HydrophobicContact CB-CG2 3.88Å; K836-V839 PolarHBondContact O-N 2.91Å; K836-V839 VanDerWaalsContact O-N 3.07Å; V839-I842 WeakPolarHBondContact O-CB 3.24Å; V839-I842 PolarHBondContact O-N 3.43Å; V839-I842 VanDerWaalsContact O-N 3.11Å; V839-I843 HydrophobicContact CG1-CD1 3.75Å; V839-I843 HydrophobicContact CG1-CG1 4.24Å; V839-I843 PolarHBondContact O-N 2.78Å; V839-I843 VanDerWaalsContact O-N 3.1Å
840	R	91.1	Very high	92.5	Very high	27 Å²	27	48.9 Å²	48.9	10%	0.102	24%	0.24	C	C	.	.	H	α-helix	trans	-53.3	-48.9	-179.7	-68.5	-173	-63.9	165.3	-1.5	113.6	I834 L835 K836 I842 I843 V844 V1245 S1248 Y1249	I834-R840 WeakPolarHBondContact O-CG 3.43Å; L835-R840 PolarHBondContact O-NE 3.48Å; K836-R840 WeakPolarHBondContact O-CG 3.13Å; K836-R840 PolarHBondContact O-N 2.93Å; K836-R840 VanDerWaalsContact O-N 3.17Å; R840-I842 VanDerWaalsContact C-N 3.34Å; R840-I842 PolarHBondContact O-N 2.98Å; R840-I843 PolarHBondContact O-N 3.42Å; R840-V844 WeakPolarHBondContact O-CG2 3.46Å; R840-V844 PolarHBondContact O-N 3.43Å; R840-V844 VanDerWaalsContact O-N 3.14Å; R840-V1245 HydrophobicContact CB-CG1 3.77Å; R840-V1245 HydrophobicContact CG-CG1 3.98Å; R840-V1245 HydrophobicContact CG-CG2 4.23Å; R840-S1248 VanDerWaalsContact CD-OG 3.29Å; R840-S1248 WeakPolarHBondContact CD-OG 3.4Å; R840-S1248 PolarHBondContact NH1-OG 3.38Å; R840-Y1249 HydrophobicContact CB-CE2 3.84Å
841	P	90.9	Very high	92.6	Very high	19 Å²	19	47.9 Å²	47.9	12%	0.123	24%	0.239	C	C	.	.	H	α-helix	trans	-60.5	-38.3	176.4	-27.2	37.1	0	0	0	114.6	F287 L291 E837 I843 V844 A845	F287-P841 HydrophobicContact CE1-CB 3.92Å; F287-P841 HydrophobicContact CZ-CB 4.2Å; L291-P841 HydrophobicContact CD1-CB 3.61Å; L291-P841 HydrophobicContact CD1-CG 3.98Å; L291-P841 HydrophobicContact CD2-CG 4.03Å; E837-P841 WeakPolarHBondContact O-CD 3.32Å; P841-I843 VanDerWaalsContact C-N 3.33Å; P841-V844 PolarHBondContact O-N 3.22Å; P841-A845 WeakPolarHBondContact O-CB 3.17Å; P841-A845 PolarHBondContact O-N 2.82Å
842	I	92.4	Very high	92.8	Very high	93 Å²	93	48.6 Å²	48.6	48%	0.477	24%	0.243	S	C	.	.	H	α-helix	trans	-63.8	-44.2	-180	-63.1	171.8	0	0	0	109.5	W838 V839 R840 A845 V846	W838-I842 HydrophobicContact CE3-CD1 4.02Å; W838-I842 HydrophobicContact CZ3-CD1 4.28Å; W838-I842 WeakPolarHBondContact O-CD1 3.39Å; V839-I842 WeakPolarHBondContact O-CB 3.24Å; V839-I842 PolarHBondContact O-N 3.43Å; V839-I842 VanDerWaalsContact O-N 3.11Å; R840-I842 VanDerWaalsContact C-N 3.34Å; R840-I842 PolarHBondContact O-N 2.98Å; I842-A845 PolarHBondContact O-N 2.86Å; I842-V846 HydrophobicContact CG2-CG2 4.45Å; I842-V846 WeakPolarHBondContact O-CG2 3.21Å; I842-V846 PolarHBondContact O-N 3.25Å
843	I	94.6	Very high	93	Very high	17 Å²	17	51.1 Å²	51.1	9%	0.087	25%	0.251	C	S	.	.	H	α-helix	trans	-59.8	-49.8	176.9	-67.3	171.3	0	0	0	110.3	I834 V839 R840 P841 A845 V846 F847 V1241 V1245	I834-I843 HydrophobicContact CG2-CD1 3.86Å; V839-I843 HydrophobicContact CG1-CD1 3.75Å; V839-I843 HydrophobicContact CG1-CG1 4.24Å; V839-I843 PolarHBondContact O-N 2.78Å; V839-I843 VanDerWaalsContact O-N 3.1Å; R840-I843 PolarHBondContact O-N 3.42Å; P841-I843 VanDerWaalsContact C-N 3.33Å; I843-A845 VanDerWaalsContact C-N 3.32Å; I843-A845 PolarHBondContact O-N 2.74Å; I843-V846 PolarHBondContact O-N 3.05Å; I843-F847 HydrophobicContact CG2-CD2 3.77Å; I843-F847 HydrophobicContact CG2-CE2 3.88Å; I843-F847 WeakPolarHBondContact O-CD2 3.29Å; I843-F847 PolarHBondContact O-N 2.81Å; I843-V1241 HydrophobicContact CD1-CG1 3.9Å; I843-V1241 HydrophobicContact CG1-CG1 4.32Å; I843-V1241 HydrophobicContact CG2-CG1 4Å; I843-V1245 HydrophobicContact CB-CG2 4.42Å; I843-V1245 HydrophobicContact CD1-CG2 3.84Å; I843-V1245 HydrophobicContact CG2-CB 4.48Å; I843-V1245 HydrophobicContact CG2-CG2 4.16Å
844	V	93.6	Very high	93.1	Very high	18 Å²	18	46.2 Å²	46.2	11%	0.109	23%	0.23	C	C	.	.	H	α-helix	trans	-58.6	-44.2	178.7	178.1	0	0	0	0	111.5	F283 F287 R840 P841 V846 F847 V848 V1245 Y1249	F283-V844 HydrophobicContact CZ-CG1 4.18Å; F287-V844 HydrophobicContact CE1-CB 4.4Å; F287-V844 HydrophobicContact CE2-CG1 4.29Å; F287-V844 HydrophobicContact CZ-CB 3.99Å; F287-V844 HydrophobicContact CZ-CG1 3.99Å; R840-V844 WeakPolarHBondContact O-CG2 3.46Å; R840-V844 PolarHBondContact O-N 3.43Å; R840-V844 VanDerWaalsContact O-N 3.14Å; P841-V844 PolarHBondContact O-N 3.22Å; V844-V846 PolarHBondContact O-N 2.88Å; V844-F847 PolarHBondContact O-N 2.84Å; V844-V848 HydrophobicContact CG1-CG2 4.26Å; V844-V848 WeakPolarHBondContact O-CB 3.22Å; V844-V848 VanDerWaalsContact O-CG2 3.29Å; V844-V848 WeakPolarHBondContact O-CG2 3.41Å; V844-V848 PolarHBondContact O-N 3.2Å; V844-V1245 HydrophobicContact CG2-CG1 3.83Å; V844-Y1249 HydrophobicContact CG2-CE2 4.32Å
845	A	93.3	Very high	93.2	Very high	18 Å²	18	48.6 Å²	48.6	15%	0.149	24%	0.242	C	C	.	.	H	α-helix	trans	-60.6	-45.1	178.2	0	0	0	0	0	112.5	Y280 L284 P841 I842 I843 G849	Y280-A845 PolarHBondContact OH-O 3.13Å; L284-A845 HydrophobicContact CD2-CB 3.85Å; P841-A845 WeakPolarHBondContact O-CB 3.17Å; P841-A845 PolarHBondContact O-N 2.82Å; I842-A845 PolarHBondContact O-N 2.86Å; I843-A845 VanDerWaalsContact C-N 3.32Å; I843-A845 PolarHBondContact O-N 2.74Å; A845-G849 PolarHBondContact O-N 3.43Å
846	V	95.5	Very high	93.3	Very high	82 Å²	82	48.5 Å²	48.5	50%	0.497	24%	0.242	S	C	.	.	H	α-helix	trans	-64.5	-46.4	179.6	170.8	0	0	0	0	111.8	I842 I843 V844 G849 M850	I842-V846 HydrophobicContact CG2-CG2 4.45Å; I842-V846 WeakPolarHBondContact O-CG2 3.21Å; I842-V846 PolarHBondContact O-N 3.25Å; I843-V846 PolarHBondContact O-N 3.05Å; V844-V846 PolarHBondContact O-N 2.88Å; V846-G849 PolarHBondContact O-N 3.22Å; V846-M850 PolarHBondContact O-N 2.71Å
847	F	95.8	Very high	93.5	Very high	18 Å²	18	44.2 Å²	44.2	8%	0.079	22%	0.224	C	C	.	.	H	α-helix	trans	-69.7	-35.8	-178.5	-84.4	-97.7	0	0	0	112.6	I843 V844 M850 L851 M1132 H1238 V1241 F1242	I843-F847 HydrophobicContact CG2-CD2 3.77Å; I843-F847 HydrophobicContact CG2-CE2 3.88Å; I843-F847 WeakPolarHBondContact O-CD2 3.29Å; I843-F847 PolarHBondContact O-N 2.81Å; V844-F847 PolarHBondContact O-N 2.84Å; F847-M850 PolarHBondContact O-N 2.76Å; F847-L851 WeakPolarHBondContact O-CB 3.36Å; F847-L851 PolarHBondContact O-N 3.24Å; F847-M1132 HydrophobicContact CB-CE 4.42Å; F847-H1238 AromaticContact CD1-CD2 3.91Å; F847-H1238 AromaticContact CD1-CE1 3.91Å; F847-H1238 AromaticContact CD1-NE2 3.66Å; F847-H1238 AromaticContact CE1-CD2 3.99Å; F847-H1238 AromaticContact CE1-CE1 3.74Å; F847-H1238 AromaticContact CE1-CG 3.89Å; F847-H1238 AromaticContact CE1-ND1 3.75Å; F847-H1238 AromaticContact CE1-NE2 3.9Å; F847-V1241 HydrophobicContact CE2-CB 4.42Å; F847-V1241 HydrophobicContact CE2-CG1 4.13Å; F847-V1241 HydrophobicContact CZ-CB 4.26Å; F847-V1241 HydrophobicContact CZ-CG1 4.46Å; F847-F1242 HydrophobicContact CB-CD2 3.58Å; F847-F1242 HydrophobicContact CB-CE2 3.89Å; F847-F1242 HydrophobicContact CB-CG 4.3Å; F847-F1242 HydrophobicContact CD1-CB 3.71Å; F847-F1242 HydrophobicContact CD1-CD2 4.06Å; F847-F1242 AromaticContact CD1-CG 3.93Å; F847-F1242 HydrophobicContact CD1-CG 3.93Å; F847-F1242 HydrophobicContact CD2-CB 4.15Å; F847-F1242 HydrophobicContact CD2-CD2 4.12Å; F847-F1242 HydrophobicContact CE1-CB 3.66Å; F847-F1242 HydrophobicContact CE1-CG 4.37Å; F847-F1242 HydrophobicContact CE2-CB 4.09Å; F847-F1242 HydrophobicContact CG-CB 3.95Å; F847-F1242 AromaticContact CG-CD2 3.65Å; F847-F1242 HydrophobicContact CG-CD2 3.65Å; F847-F1242 HydrophobicContact CG-CE2 4.45Å; F847-F1242 HydrophobicContact CG-CG 4Å; F847-F1242 HydrophobicContact CZ-CB 3.84Å
848	V	94.6	Very high	93.9	Very high	30 Å²	30	41 Å²	41	18%	0.182	21%	0.213	C	C	.	.	H	α-helix	trans	-68.2	-37.2	172.2	175	0	0	0	0	110.9	Y280 F283 V844 L851 S852	Y280-V848 HydrophobicContact CD2-CG1 4.3Å; F283-V848 HydrophobicContact CD1-CB 4.26Å; F283-V848 HydrophobicContact CD1-CG1 3.67Å; F283-V848 HydrophobicContact CD2-CG1 4.46Å; F283-V848 HydrophobicContact CE1-CB 3.77Å; F283-V848 HydrophobicContact CE1-CG1 3.66Å; F283-V848 HydrophobicContact CE1-CG2 3.98Å; F283-V848 HydrophobicContact CE2-CG1 4.45Å; F283-V848 HydrophobicContact CE2-CG2 4.48Å; F283-V848 HydrophobicContact CG-CG1 4.09Å; F283-V848 HydrophobicContact CZ-CB 4.14Å; F283-V848 HydrophobicContact CZ-CG1 4.07Å; F283-V848 HydrophobicContact CZ-CG2 3.82Å; V844-V848 HydrophobicContact CG1-CG2 4.26Å; V844-V848 WeakPolarHBondContact O-CB 3.22Å; V844-V848 VanDerWaalsContact O-CG2 3.29Å; V844-V848 WeakPolarHBondContact O-CG2 3.41Å; V844-V848 PolarHBondContact O-N 3.2Å; V848-L851 PolarHBondContact O-N 2.96Å; V848-S852 WeakPolarHBondContact O-CB 3.44Å; V848-S852 PolarHBondContact O-N 3.18Å; V848-S852 PolarHBondContact O-OG 2.87Å
849	G	95.1	Very high	94	Very high	15 Å²	15	37.9 Å²	37.9	16%	0.155	21%	0.208	C	C	.	.	H	α-helix	trans	-62.9	-43.2	173.7	0	0	0	0	0	112.9	A845 V846 S852 F853	A845-G849 PolarHBondContact O-N 3.43Å; V846-G849 PolarHBondContact O-N 3.22Å; G849-S852 PolarHBondContact O-N 3.1Å; G849-F853 WeakPolarHBondContact O-CB 3.18Å; G849-F853 PolarHBondContact O-N 3.24Å
850	M	95.3	Very high	94	Very high	74 Å²	74	40.7 Å²	40.7	37%	0.365	22%	0.219	S	C	.	.	H	α-helix	trans	-60.4	-46.3	173.3	-175.8	-176.8	-70.8	0	0	111.3	V846 F847 S852 F853 S854 N1136 L1234	V846-M850 PolarHBondContact O-N 2.71Å; F847-M850 PolarHBondContact O-N 2.76Å; M850-S852 PolarHBondContact O-N 3.05Å; M850-F853 PolarHBondContact O-N 2.81Å; M850-S854 PolarHBondContact O-N 3.14Å; M850-S854 PolarHBondContact O-OG 3.19Å; M850-N1136 PolarHBondContact O-OD1 3.44Å; M850-L1234 HydrophobicContact SD-CD2 4.28Å
851	L	95.6	Very high	94	Very high	35 Å²	35	40.3 Å²	40.3	18%	0.183	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-46.3	176	-179.8	66.7	0	0	0	111.8	F847 V848 F853 S854 I855 M1132 V1135 N1136	F847-L851 WeakPolarHBondContact O-CB 3.36Å; F847-L851 PolarHBondContact O-N 3.24Å; V848-L851 PolarHBondContact O-N 2.96Å; L851-F853 VanDerWaalsContact C-N 3.31Å; L851-F853 PolarHBondContact O-N 2.96Å; L851-S854 PolarHBondContact O-N 3.49Å; L851-I855 HydrophobicContact CD1-CD1 4.1Å; L851-I855 HydrophobicContact CD1-CG1 4.35Å; L851-I855 HydrophobicContact CG-CD1 3.88Å; L851-I855 HydrophobicContact CG-CG1 4.48Å; L851-I855 VanDerWaalsContact O-CG1 3.3Å; L851-I855 WeakPolarHBondContact O-CG1 3.18Å; L851-I855 PolarHBondContact O-N 3.04Å; L851-M1132 HydrophobicContact CD1-CB 4.48Å; L851-M1132 HydrophobicContact CD1-CG 4.24Å; L851-M1132 HydrophobicContact CD2-CE 4.29Å; L851-M1132 HydrophobicContact CD2-CG 4.07Å; L851-V1135 HydrophobicContact CD1-CB 3.92Å; L851-V1135 HydrophobicContact CD1-CG1 3.69Å; L851-N1136 WeakPolarHBondContact CA-OD1 3.34Å
852	S	95.6	Very high	94	Very high	14 Å²	14	45.4 Å²	45.4	10%	0.098	24%	0.242	C	C	.	.	H	α-helix	trans	-62.1	-39.1	178.9	-68.4	0	0	0	0	112.4	V848 G849 M850 A856	V848-S852 WeakPolarHBondContact O-CB 3.44Å; V848-S852 PolarHBondContact O-N 3.18Å; V848-S852 PolarHBondContact O-OG 2.87Å; G849-S852 PolarHBondContact O-N 3.1Å; M850-S852 PolarHBondContact O-N 3.05Å; S852-A856 PolarHBondContact O-N 3.47Å; S852-A856 VanDerWaalsContact O-N 3.16Å
853	F	95.3	Very high	94	Very high	94 Å²	94	44 Å²	44	41%	0.412	24%	0.235	S	C	.	.	H	α-helix	trans	-63	-48.7	173.7	171.6	-98.2	0	0	0	111.4	G849 M850 L851 I855 A856 V857 W1142 L1143	G849-F853 WeakPolarHBondContact O-CB 3.18Å; G849-F853 PolarHBondContact O-N 3.24Å; M850-F853 PolarHBondContact O-N 2.81Å; L851-F853 VanDerWaalsContact C-N 3.31Å; L851-F853 PolarHBondContact O-N 2.96Å; F853-I855 PolarHBondContact O-N 3.11Å; F853-A856 WeakPolarHBondContact O-CB 3.46Å; F853-A856 PolarHBondContact O-N 3.35Å; F853-A856 VanDerWaalsContact O-N 3.1Å; F853-V857 HydrophobicContact CE1-CG2 4.49Å; F853-V857 HydrophobicContact CE2-CG1 4.4Å; F853-V857 HydrophobicContact CZ-CG1 4.48Å; F853-V857 PolarHBondContact O-N 3.45Å; F853-W1142 HydrophobicContact CE2-CZ3 4.49Å; F853-W1142 HydrophobicContact CZ-CE3 4.39Å; F853-W1142 AromaticContact CZ-CZ3 3.86Å; F853-W1142 HydrophobicContact CZ-CZ3 3.86Å; F853-L1143 HydrophobicContact CE1-CD1 4.24Å; F853-L1143 HydrophobicContact CZ-CD1 4.39Å
854	S	96.1	Very high	93.8	Very high	4 Å²	4	43.2 Å²	43.2	3%	0.028	23%	0.231	C	C	.	.	H	α-helix	trans	-60.2	-45.7	179.6	-57.4	0	0	0	0	111.8	M850 L851 A856 V857 V858 V1135 N1136	M850-S854 PolarHBondContact O-N 3.14Å; M850-S854 PolarHBondContact O-OG 3.19Å; L851-S854 PolarHBondContact O-N 3.49Å; S854-A856 PolarHBondContact O-N 3.2Å; S854-V857 WeakPolarHBondContact O-CG2 3.34Å; S854-V857 PolarHBondContact O-N 3.08Å; S854-V857 VanDerWaalsContact O-N 3.11Å; S854-V858 WeakPolarHBondContact O-CG2 3.4Å; S854-V858 PolarHBondContact O-N 3.03Å; S854-V1135 WeakPolarHBondContact CB-O 3.03Å; S854-N1136 WeakPolarHBondContact CB-OD1 3.34Å; S854-N1136 WeakPolarHBondContact OG-CA 3.49Å; S854-N1136 PolarHBondContact OG-OD1 3.01Å
855	I	95.4	Very high	93.6	Very high	56 Å²	56	43.9 Å²	43.9	29%	0.287	23%	0.234	S	C	.	.	H	α-helix	trans	-59.5	-34.8	176.1	-66.5	170.6	0	0	0	111.9	M272 M276 L851 F853 V857 V1135	M272-I855 HydrophobicContact CE-CG2 3.5Å; M272-I855 VanDerWaalsContact CE-CG2 3.5Å; M276-I855 HydrophobicContact CE-CB 3.94Å; M276-I855 HydrophobicContact CE-CD1 4.08Å; M276-I855 HydrophobicContact CE-CG2 3.84Å; M276-I855 HydrophobicContact CG-CB 4.46Å; M276-I855 HydrophobicContact CG-CG2 4.05Å; M276-I855 HydrophobicContact SD-CB 4.34Å; M276-I855 HydrophobicContact SD-CG2 3.65Å; L851-I855 HydrophobicContact CD1-CD1 4.1Å; L851-I855 HydrophobicContact CD1-CG1 4.35Å; L851-I855 HydrophobicContact CG-CD1 3.88Å; L851-I855 HydrophobicContact CG-CG1 4.48Å; L851-I855 VanDerWaalsContact O-CG1 3.3Å; L851-I855 WeakPolarHBondContact O-CG1 3.18Å; L851-I855 PolarHBondContact O-N 3.04Å; F853-I855 PolarHBondContact O-N 3.11Å; I855-V857 VanDerWaalsContact C-N 3.26Å; I855-V857 PolarHBondContact O-N 2.9Å; I855-V1135 HydrophobicContact CD1-CG1 4.49Å; I855-V1135 HydrophobicContact CG1-CG1 3.57Å
856	A	94.1	Very high	93.1	Very high	7 Å²	7	45 Å²	45	6%	0.058	24%	0.238	C	C	.	.	H	α-helix	trans	-67.6	-24.2	179.1	0	0	0	0	0	113.9	M276 S852 F853 S854 N859	M276-A856 HydrophobicContact CB-CB 3.93Å; M276-A856 HydrophobicContact CG-CB 3.99Å; S852-A856 PolarHBondContact O-N 3.47Å; S852-A856 VanDerWaalsContact O-N 3.16Å; F853-A856 WeakPolarHBondContact O-CB 3.46Å; F853-A856 PolarHBondContact O-N 3.35Å; F853-A856 VanDerWaalsContact O-N 3.1Å; S854-A856 PolarHBondContact O-N 3.2Å; A856-N859 PolarHBondContact O-OD1 3.26Å
857	V	94.8	Very high	92.5	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.03	23%	0.23	C	C	.	.	H	α-helix	trans	-113.1	-9.4	-174.2	-57.7	0	0	0	0	113.8	F853 S854 I855 N859 K860 W1142	F853-V857 HydrophobicContact CE1-CG2 4.49Å; F853-V857 HydrophobicContact CE2-CG1 4.4Å; F853-V857 HydrophobicContact CZ-CG1 4.48Å; F853-V857 PolarHBondContact O-N 3.45Å; S854-V857 WeakPolarHBondContact O-CG2 3.34Å; S854-V857 PolarHBondContact O-N 3.08Å; S854-V857 VanDerWaalsContact O-N 3.11Å; I855-V857 VanDerWaalsContact C-N 3.26Å; I855-V857 PolarHBondContact O-N 2.9Å; V857-N859 PolarHBondContact O-N 3.44Å; V857-N859 VanDerWaalsContact O-N 3.15Å; V857-K860 WeakPolarHBondContact O-CB 3.44Å; V857-K860 PolarHBondContact O-N 2.02Å; V857-W1142 HydrophobicContact CB-CB 4.47Å; V857-W1142 HydrophobicContact CB-CD2 3.67Å; V857-W1142 HydrophobicContact CB-CE3 3.66Å; V857-W1142 HydrophobicContact CB-CG 4.04Å; V857-W1142 HydrophobicContact CB-CZ3 4.18Å; V857-W1142 HydrophobicContact CG1-CD2 4.09Å; V857-W1142 HydrophobicContact CG1-CE3 3.74Å; V857-W1142 HydrophobicContact CG1-CH2 4.03Å; V857-W1142 HydrophobicContact CG1-CZ2 4.36Å; V857-W1142 HydrophobicContact CG1-CZ3 3.72Å; V857-W1142 HydrophobicContact CG2-CB 4.22Å; V857-W1142 HydrophobicContact CG2-CD2 4.03Å; V857-W1142 HydrophobicContact CG2-CE3 3.71Å; V857-W1142 HydrophobicContact CG2-CG 4.26Å; V857-W1142 HydrophobicContact CG2-CZ3 4.43Å
858	V	92.5	Very high	92	Very high	55 Å²	55	46.2 Å²	46.2	33%	0.333	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-53.2	-36.6	179.5	161.5	0	0	0	0	113	S854 K860 V861 V1135 F1138	S854-V858 WeakPolarHBondContact O-CG2 3.4Å; S854-V858 PolarHBondContact O-N 3.03Å; V858-K860 PolarHBondContact O-N 3.02Å; V858-V861 WeakPolarHBondContact O-CG2 3.14Å; V858-V1135 HydrophobicContact CG2-CG1 4.39Å; V858-F1138 HydrophobicContact CG2-CB 3.64Å; V858-F1138 HydrophobicContact CG2-CG 4.45Å
859	N	90.7	Very high	91.6	Very high	102 Å²	102	47.1 Å²	47.1	55%	0.545	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-74.7	-5.3	179.3	67	-29.9	0	0	0	114.3	A856 V857	A856-N859 PolarHBondContact O-OD1 3.26Å; V857-N859 PolarHBondContact O-N 3.44Å; V857-N859 VanDerWaalsContact O-N 3.15Å
860	K	90.8	Very high	91.1	Very high	71 Å²	71	47.2 Å²	47.2	31%	0.309	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-104.7	3	-179.3	-60.6	172.7	-171.4	161.9	0	112.8	D270 S273 V857 V858 E862	D270-K860 VanDerWaalsContact OD2-CE 3.25Å; D270-K860 WeakPolarHBondContact OD2-CE 3.18Å; D270-K860 IonicContact OD2-NZ 2.58Å; D270-K860 PolarHBondContact OD2-NZ 3.11Å; S273-K860 PolarHBondContact OG-NZ 3.24Å; V857-K860 WeakPolarHBondContact O-CB 3.44Å; V857-K860 PolarHBondContact O-N 2.02Å; V858-K860 PolarHBondContact O-N 3.02Å; K860-E862 PolarHBondContact O-N 3.07Å
861	V	92.4	Very high	90.7	Very high	20 Å²	20	43.7 Å²	43.7	12%	0.121	22%	0.222	C	C	.	.			trans	-65.3	124.7	174.1	176.7	0	0	0	0	108.5	V858 M1141 W1142 L1148	V858-V861 WeakPolarHBondContact O-CG2 3.14Å; V861-M1141 HydrophobicContact CG1-CE 4.29Å; V861-W1142 HydrophobicContact CG2-CB 4.05Å; V861-L1148 HydrophobicContact CG1-CB 4.09Å
862	E	90.6	Very high	90.2	Very high	125 Å²	125	42.5 Å²	42.5	58%	0.584	22%	0.216	S	C	*	.			trans	-67.1	144.6	179.2	-59.9	-167	165.5	0	0	111.1	K860 S1147 L1148	K860-E862 PolarHBondContact O-N 3.07Å; E862-S1147 CarbonylContact O-C 3.06Å; E862-S1147 WeakPolarHBondContact O-CA 3.29Å; E862-L1148 PolarHBondContact O-N 3.34Å
863	I	92.8	Very high	89.7	Confident	63 Å²	63	46.5 Å²	46.5	32%	0.323	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-111.1	130.6	179.3	-59.9	175.6	0	0	0	108.6	Y1090 I1093 L1148	I863-Y1090 HydrophobicContact CG2-CD1 3.9Å; I863-Y1090 HydrophobicContact CG2-CG 4.3Å; I863-I1093 HydrophobicContact CG2-CG2 3.54Å; I863-L1148 HydrophobicContact CG1-CB 4.5Å
864	G	90.5	Very high	89.4	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.01	25%	0.247	C	C	.	.	S	Bend	trans	128.8	173.3	-179.9	0	0	0	0	0	113	Y1090 S1147 L1148	G864-Y1090 VanDerWaalsContact CA-CE1 3.5Å; G864-S1147 WeakPolarHBondContact O-CB 3.09Å; G864-S1147 PolarHBondContact O-OG 2.89Å; G864-L1148 PolarHBondContact N-O 2.69Å
865	L	88.1	Confident	89.1	Confident	32 Å²	32	47.7 Å²	47.7	17%	0.168	25%	0.247	C	C	.	.			trans	-128.7	112	167.9	178.4	67.4	0	0	0	106.3	Q867 S1052 Y1090 N1149 F1223	L865-Q867 PolarHBondContact O-N 3.48Å; L865-S1052 VanDerWaalsContact C-OG 3.24Å; L865-S1052 PolarHBondContact N-OG 2.88Å; L865-S1052 PolarHBondContact O-OG 3.22Å; L865-S1052 VanDerWaalsContact O-OG 3.07Å; L865-Y1090 WeakPolarHBondContact CB-OH 3.47Å; L865-Y1090 PolarHBondContact N-OH 3.12Å; L865-N1149 HydrophobicContact CB-CB 4.21Å; L865-F1223 HydrophobicContact CD1-CE2 3.44Å; L865-F1223 VanDerWaalsContact CD1-CE2 3.44Å; L865-F1223 HydrophobicContact CD1-CZ 3.56Å
866	D	83.9	Confident	89	Confident	43 Å²	43	46.5 Å²	46.5	23%	0.23	24%	0.239	C	C	.	.			trans	-63.8	128.9	172.1	-171	-9.1	0	0	0	108.7	K868 L869 S1052	D866-K868 PolarHBondContact O-N 3.06Å; D866-K868 PolarHBondContact OD1-N 3.17Å; D866-K868 VanDerWaalsContact OD1-N 3.11Å; D866-K868 IonicContact OD2-NZ 2.88Å; D866-L869 HydrophobicContact CB-CD1 4.2Å; D866-L869 HydrophobicContact CB-CG 4.23Å; D866-L869 WeakPolarHBondContact O-CB 2.91Å; D866-L869 PolarHBondContact O-N 3.49Å; D866-L869 VanDerWaalsContact O-N 3.07Å; D866-S1052 PolarHBondContact N-OG 2.95Å
867	Q	83.2	Confident	89	Confident	69 Å²	69	46.2 Å²	46.2	32%	0.322	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-60.4	-30.5	-179.5	-62.4	174.8	17.7	0	0	110.9	L865 L869 S870 F881 Y1087	L865-Q867 PolarHBondContact O-N 3.48Å; Q867-L869 PolarHBondContact O-N 3.41Å; Q867-S870 PolarHBondContact O-N 3.33Å; Q867-S870 VanDerWaalsContact O-N 3.07Å; Q867-S870 PolarHBondContact O-OG 3.11Å; Q867-F881 HydrophobicContact CB-CE2 4.28Å; Q867-F881 HydrophobicContact CB-CZ 4.28Å; Q867-Y1087 PolarHBondContact NE2-OH 3.39Å
868	K	85.6	Confident	88.9	Confident	56 Å²	56	47.7 Å²	47.7	24%	0.243	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-60.5	-33	177	-61.6	169.4	-164	145	0	112.1	D866 S870 M871 L878 F881 D1051	D866-K868 PolarHBondContact O-N 3.06Å; D866-K868 PolarHBondContact OD1-N 3.17Å; D866-K868 VanDerWaalsContact OD1-N 3.11Å; D866-K868 IonicContact OD2-NZ 2.88Å; K868-S870 PolarHBondContact O-N 2.87Å; K868-M871 PolarHBondContact O-N 3.27Å; K868-L878 HydrophobicContact CB-CD2 3.94Å; K868-L878 HydrophobicContact CG-CD2 4.41Å; K868-L878 WeakPolarHBondContact O-CD2 3.42Å; K868-F881 HydrophobicContact CG-CB 4.14Å; K868-F881 HydrophobicContact CG-CD2 4.15Å; K868-F881 HydrophobicContact CG-CG 4.45Å; K868-D1051 IonicContact NZ-OD1 3.84Å
869	L	85.4	Confident	88.9	Confident	48 Å²	48	49.7 Å²	49.7	25%	0.251	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-70.6	-14.6	179.5	-64.5	173.3	0	0	0	113.4	D866 Q867 Q1218 I1219	D866-L869 HydrophobicContact CB-CD1 4.2Å; D866-L869 HydrophobicContact CB-CG 4.23Å; D866-L869 WeakPolarHBondContact O-CB 2.91Å; D866-L869 PolarHBondContact O-N 3.49Å; D866-L869 VanDerWaalsContact O-N 3.07Å; Q867-L869 PolarHBondContact O-N 3.41Å; L869-Q1218 WeakPolarHBondContact O-CB 3.16Å; L869-I1219 WeakPolarHBondContact O-CG1 3.33Å; L869-I1219 PolarHBondContact O-N 2.88Å
870	S	84.4	Confident	89	Confident	17 Å²	17	45.9 Å²	45.9	12%	0.119	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-93.2	6.4	178.7	67.3	0	0	0	0	114.6	I620 E623 Q867 K868	I620-S870 WeakPolarHBondContact CG1-O 3.32Å; E623-S870 VanDerWaalsContact OE2-O 3.1Å; Q867-S870 PolarHBondContact O-N 3.33Å; Q867-S870 VanDerWaalsContact O-N 3.07Å; Q867-S870 PolarHBondContact O-OG 3.11Å; K868-S870 PolarHBondContact O-N 2.87Å
871	M	86.8	Confident	89.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-111.5	146.5	179.5	-61.3	-67.1	132.7	0	0	110	V616 E619 I620 K868 V877 L878 F881	V616-M871 HydrophobicContact CB-CE 4.13Å; V616-M871 HydrophobicContact CG1-CE 3.65Å; V616-M871 HydrophobicContact CG2-CE 4.23Å; E619-M871 HydrophobicContact CB-SD 3.86Å; I620-M871 HydrophobicContact CD1-CE 4.24Å; I620-M871 HydrophobicContact CG1-CE 4.04Å; K868-M871 PolarHBondContact O-N 3.27Å; M871-V877 HydrophobicContact CG-CB 4.47Å; M871-V877 HydrophobicContact CG-CG1 4.42Å; M871-V877 HydrophobicContact SD-CB 3.99Å; M871-V877 HydrophobicContact SD-CG1 4Å; M871-V877 HydrophobicContact SD-CG2 4.47Å; M871-L878 HydrophobicContact CB-CD1 4.38Å; M871-L878 HydrophobicContact CB-CD2 3.73Å; M871-L878 HydrophobicContact CB-CG 3.79Å; M871-L878 HydrophobicContact CG-CD2 4.22Å; M871-F881 HydrophobicContact CG-CE2 4.24Å
872	P	86.4	Confident	89.1	Confident	11 Å²	11	48.4 Å²	48.4	7%	0.071	24%	0.241	C	C	.	.			trans	-59.2	148.4	168.9	-25.2	34	0	0	0	112.6	E623 D874 S875 L878	E623-P872 HydrophobicContact CB-CG 3.83Å; E623-P872 HydrophobicContact CG-CG 4.05Å; E623-P872 VanDerWaalsContact OE2-CD 3.32Å; E623-P872 WeakPolarHBondContact OE2-CD 3.49Å; P872-D874 WeakPolarHBondContact CB-OD1 3.23Å; P872-D874 PolarHBondContact O-N 3.45Å; P872-S875 WeakPolarHBondContact O-CB 3.4Å; P872-S875 PolarHBondContact O-N 3.03Å; P872-L878 WeakPolarHBondContact O-CD1 3.47Å
873	D	84.3	Confident	89.2	Confident	98 Å²	98	43.7 Å²	43.7	52%	0.524	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-26.7	178.3	-71.2	-26.3	0	0	0	114.1	Q1218	D873-Q1218 WeakPolarHBondContact OD1-CG 3.4Å; D873-Q1218 PolarHBondContact OD1-NE2 3.21Å
874	D	88.4	Confident	89.2	Confident	118 Å²	118	42.5 Å²	42.5	63%	0.631	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.7	11.4	-178.9	72.1	-18.2	0	0	0	113.6	R622 P872	R622-D874 IonicContact CZ-OD1 3.3Å; R622-D874 IonicContact NH1-OD1 3.71Å; R622-D874 PolarHBondContact NH1-OD1 3.01Å; R622-D874 VanDerWaalsContact NH1-OD1 3.14Å; R622-D874 IonicContact NH1-OD2 3Å; R622-D874 PolarHBondContact NH1-OD2 3.18Å; R622-D874 IonicContact NH2-OD1 3.48Å; R622-D874 PolarHBondContact NH2-OD1 3.05Å; P872-D874 WeakPolarHBondContact CB-OD1 3.23Å; P872-D874 PolarHBondContact O-N 3.45Å
875	S	90.6	Very high	89.2	Confident	4 Å²	4	43.9 Å²	43.9	3%	0.028	22%	0.223	C	C	.	.			trans	-76.6	133.4	-176.5	-178.9	0	0	0	0	112.7	E619 P872 V877 L878	E619-S875 PolarHBondContact OE2-OG 2.93Å; P872-S875 WeakPolarHBondContact O-CB 3.4Å; P872-S875 PolarHBondContact O-N 3.03Å; S875-V877 PolarHBondContact O-N 2.97Å; S875-V877 PolarHBondContact OG-N 2.84Å; S875-L878 WeakPolarHBondContact O-CB 3.37Å; S875-L878 PolarHBondContact O-N 2.98Å; S875-L878 VanDerWaalsContact O-N 3.15Å
876	Y	93.2	Very high	89.4	Confident	32 Å²	32	47.4 Å²	47.4	13%	0.125	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-20.9	172.6	68.1	-83.8	0	0	0	113	F610 S615 E619 L878 D879 Y880	F610-Y876 HydrophobicContact CD2-CD2 4.04Å; F610-Y876 AromaticContact CD2-CE2 3.93Å; F610-Y876 HydrophobicContact CD2-CE2 3.93Å; F610-Y876 HydrophobicContact CE1-CD2 4.27Å; F610-Y876 AromaticContact CE2-CD2 3.52Å; F610-Y876 HydrophobicContact CE2-CD2 3.52Å; F610-Y876 AromaticContact CE2-CE2 3.45Å; F610-Y876 HydrophobicContact CE2-CE2 3.45Å; F610-Y876 VanDerWaalsContact CE2-CE2 3.45Å; F610-Y876 HydrophobicContact CE2-CG 4.35Å; F610-Y876 AromaticContact CZ-CD2 3.65Å; F610-Y876 HydrophobicContact CZ-CD2 3.65Å; F610-Y876 HydrophobicContact CZ-CE2 4.03Å; F610-Y876 HydrophobicContact CZ-CG 4.1Å; F610-Y876 WeakPolarHBondContact O-CD2 3.47Å; S615-Y876 WeakPolarHBondContact CB-OH 3.19Å; S615-Y876 PolarHBondContact OG-OH 2.84Å; E619-Y876 HydrophobicContact CG-CE1 4Å; E619-Y876 VanDerWaalsContact OE1-CE1 3.22Å; E619-Y876 WeakPolarHBondContact OE1-CE1 3.27Å; Y876-L878 VanDerWaalsContact C-N 3.29Å; Y876-D879 PolarHBondContact O-N 3.22Å; Y876-Y880 PolarHBondContact O-N 2.99Å
877	V	93	Very high	89.8	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-71	-28	177.7	-175.7	0	0	0	0	110.9	V616 E619 M871 S875 Y880 F881	V616-V877 HydrophobicContact CG2-CG1 4.44Å; E619-V877 HydrophobicContact CG-CG2 3.99Å; M871-V877 HydrophobicContact CG-CB 4.47Å; M871-V877 HydrophobicContact CG-CG1 4.42Å; M871-V877 HydrophobicContact SD-CB 3.99Å; M871-V877 HydrophobicContact SD-CG1 4Å; M871-V877 HydrophobicContact SD-CG2 4.47Å; S875-V877 PolarHBondContact O-N 2.97Å; S875-V877 PolarHBondContact OG-N 2.84Å; V877-Y880 WeakPolarHBondContact O-CB 3.19Å; V877-Y880 PolarHBondContact O-N 3.12Å; V877-F881 HydrophobicContact CG1-CD2 3.97Å; V877-F881 HydrophobicContact CG1-CE2 3.5Å; V877-F881 HydrophobicContact CG1-CZ 3.83Å; V877-F881 WeakPolarHBondContact O-CD2 3.39Å; V877-F881 PolarHBondContact O-N 3.05Å
878	L	92.4	Very high	90.1	Very high	36 Å²	36	45.1 Å²	45.1	19%	0.188	23%	0.226	C	C	.	.	H	α-helix	trans	-65	-42.3	173.4	-72.2	179.2	0	0	0	111.8	K868 M871 P872 S875 Y876 Y880 F881 K882	K868-L878 HydrophobicContact CB-CD2 3.94Å; K868-L878 HydrophobicContact CG-CD2 4.41Å; K868-L878 WeakPolarHBondContact O-CD2 3.42Å; M871-L878 HydrophobicContact CB-CD1 4.38Å; M871-L878 HydrophobicContact CB-CD2 3.73Å; M871-L878 HydrophobicContact CB-CG 3.79Å; M871-L878 HydrophobicContact CG-CD2 4.22Å; P872-L878 WeakPolarHBondContact O-CD1 3.47Å; S875-L878 WeakPolarHBondContact O-CB 3.37Å; S875-L878 PolarHBondContact O-N 2.98Å; S875-L878 VanDerWaalsContact O-N 3.15Å; Y876-L878 VanDerWaalsContact C-N 3.29Å; L878-Y880 VanDerWaalsContact C-N 3.29Å; L878-Y880 PolarHBondContact O-N 3.09Å; L878-F881 PolarHBondContact O-N 3.39Å; L878-K882 WeakPolarHBondContact O-CB 3.37Å; L878-K882 PolarHBondContact O-N 2.92Å
879	D	92.8	Very high	90	Very high	98 Å²	98	45.5 Å²	45.5	52%	0.524	23%	0.229	S	C	.	.	H	α-helix	trans	-63.2	-38.6	174.8	-71.8	-27.1	0	0	0	111.1	Y876 K882 N883	Y876-D879 PolarHBondContact O-N 3.22Å; D879-K882 PolarHBondContact O-N 2.98Å; D879-N883 WeakPolarHBondContact O-CB 3.35Å; D879-N883 PolarHBondContact O-N 2.63Å
880	Y	94.2	Very high	90.1	Very high	22 Å²	22	43.6 Å²	43.6	9%	0.086	22%	0.219	C	C	.	.	H	α-helix	trans	-60.7	-50.7	171.9	171.1	-97.7	0	0	0	112.4	Q414 I416 Y876 V877 L878 K882 N883 L884	Q414-Y880 HydrophobicContact CB-CE2 4.27Å; Q414-Y880 HydrophobicContact CG-CE2 4.36Å; Q414-Y880 PolarHBondContact OE1-OH 2.85Å; I416-Y880 HydrophobicContact CD1-CD2 4.06Å; I416-Y880 HydrophobicContact CD1-CE2 3.93Å; I416-Y880 HydrophobicContact CG1-CD2 4.47Å; I416-Y880 HydrophobicContact CG1-CE2 4.28Å; Y876-Y880 PolarHBondContact O-N 2.99Å; V877-Y880 WeakPolarHBondContact O-CB 3.19Å; V877-Y880 PolarHBondContact O-N 3.12Å; L878-Y880 VanDerWaalsContact C-N 3.29Å; L878-Y880 PolarHBondContact O-N 3.09Å; Y880-K882 VanDerWaalsContact C-N 3.28Å; Y880-K882 PolarHBondContact O-N 3.41Å; Y880-N883 PolarHBondContact O-N 2.72Å; Y880-L884 HydrophobicContact CE1-CD2 4.39Å; Y880-L884 VanDerWaalsContact O-CB 3.27Å; Y880-L884 WeakPolarHBondContact O-CB 3.38Å; Y880-L884 PolarHBondContact O-N 2.98Å
881	F	92.5	Very high	90.3	Very high	20 Å²	20	43.7 Å²	43.7	9%	0.088	22%	0.222	C	C	.	.	H	α-helix	trans	-63.1	-34.9	178.9	-70.8	-43.3	0	0	0	113	V616 Q867 K868 M871 V877 L878 L884 S885	V616-F881 HydrophobicContact CG2-CZ 4.42Å; Q867-F881 HydrophobicContact CB-CE2 4.28Å; Q867-F881 HydrophobicContact CB-CZ 4.28Å; K868-F881 HydrophobicContact CG-CB 4.14Å; K868-F881 HydrophobicContact CG-CD2 4.15Å; K868-F881 HydrophobicContact CG-CG 4.45Å; M871-F881 HydrophobicContact CG-CE2 4.24Å; V877-F881 HydrophobicContact CG1-CD2 3.97Å; V877-F881 HydrophobicContact CG1-CE2 3.5Å; V877-F881 HydrophobicContact CG1-CZ 3.83Å; V877-F881 WeakPolarHBondContact O-CD2 3.39Å; V877-F881 PolarHBondContact O-N 3.05Å; L878-F881 PolarHBondContact O-N 3.39Å; F881-L884 HydrophobicContact CD1-CD2 4.3Å; F881-S885 PolarHBondContact O-N 2.95Å; F881-S885 VanDerWaalsContact O-N 3.08Å; F881-S885 PolarHBondContact O-OG 2.91Å
882	K	92.3	Very high	90.6	Very high	124 Å²	124	45 Å²	45	54%	0.539	23%	0.233	S	C	.	.	H	α-helix	trans	-61.9	-53.8	173.5	-176.1	-175	173.4	-168.4	0	110.6	L878 D879 Y880 L884 S885 E886	L878-K882 WeakPolarHBondContact O-CB 3.37Å; L878-K882 PolarHBondContact O-N 2.92Å; D879-K882 PolarHBondContact O-N 2.98Å; Y880-K882 VanDerWaalsContact C-N 3.28Å; Y880-K882 PolarHBondContact O-N 3.41Å; K882-L884 VanDerWaalsContact C-N 3.29Å; K882-L884 PolarHBondContact O-N 3.33Å; K882-S885 PolarHBondContact O-N 3.15Å; K882-S885 VanDerWaalsContact O-N 3.15Å; K882-S885 PolarHBondContact O-OG 3.03Å; K882-E886 PolarHBondContact O-N 2.67Å; K882-E886 VanDerWaalsContact O-N 3.09Å
883	N	93.3	Very high	90.9	Very high	25 Å²	25	45.2 Å²	45.2	13%	0.134	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-34.2	180	-75.4	10.5	0	0	0	112.4	I416 A609 D879 Y880 E886 Y887	I416-N883 HydrophobicContact CB-CB 4.42Å; I416-N883 HydrophobicContact CD1-CB 4.09Å; I416-N883 HydrophobicContact CG2-CB 4.15Å; A609-N883 HydrophobicContact CB-CB 4.17Å; A609-N883 WeakPolarHBondContact CB-ND2 3.44Å; D879-N883 WeakPolarHBondContact O-CB 3.35Å; D879-N883 PolarHBondContact O-N 2.63Å; Y880-N883 PolarHBondContact O-N 2.72Å; N883-E886 PolarHBondContact O-N 3.09Å; N883-Y887 HydrophobicContact CB-CD2 3.95Å; N883-Y887 HydrophobicContact CB-CE2 4.17Å; N883-Y887 WeakPolarHBondContact O-CB 3.24Å; N883-Y887 VanDerWaalsContact O-CD2 3.31Å; N883-Y887 WeakPolarHBondContact O-CD2 3.28Å; N883-Y887 PolarHBondContact O-N 3.11Å
884	L	91.4	Very high	91.4	Very high	38 Å²	38	40.6 Å²	40.6	20%	0.199	21%	0.21	C	C	.	.	H	α-helix	trans	-58.2	-49.1	172.5	-175.6	74.9	0	0	0	110.7	I416 Y880 F881 K882 E886 L888	I416-L884 HydrophobicContact CD1-CB 4.2Å; I416-L884 HydrophobicContact CD1-CD1 4.39Å; Y880-L884 HydrophobicContact CE1-CD2 4.39Å; Y880-L884 VanDerWaalsContact O-CB 3.27Å; Y880-L884 WeakPolarHBondContact O-CB 3.38Å; Y880-L884 PolarHBondContact O-N 2.98Å; F881-L884 HydrophobicContact CD1-CD2 4.3Å; K882-L884 VanDerWaalsContact C-N 3.29Å; K882-L884 PolarHBondContact O-N 3.33Å; L884-E886 VanDerWaalsContact C-N 3.31Å; L884-E886 PolarHBondContact O-N 3.3Å; L884-L888 HydrophobicContact CD1-CB 4.19Å; L884-L888 HydrophobicContact CD1-CD1 4.17Å; L884-L888 HydrophobicContact CD1-CD2 3.54Å; L884-L888 HydrophobicContact CD1-CG 4.14Å; L884-L888 WeakPolarHBondContact O-CB 3.25Å; L884-L888 PolarHBondContact O-N 2.87Å
885	S	90.8	Very high	91.8	Very high	31 Å²	31	35.5 Å²	35.5	22%	0.217	18%	0.182	C	C	.	.	H	α-helix	trans	-71.3	-23.2	-178.2	73.7	0	0	0	0	114.6	F881 K882 K1050	F881-S885 PolarHBondContact O-N 2.95Å; F881-S885 VanDerWaalsContact O-N 3.08Å; F881-S885 PolarHBondContact O-OG 2.91Å; K882-S885 PolarHBondContact O-N 3.15Å; K882-S885 VanDerWaalsContact O-N 3.15Å; K882-S885 PolarHBondContact O-OG 3.03Å; S885-K1050 VanDerWaalsContact O-CE 3.29Å; S885-K1050 WeakPolarHBondContact O-CE 3.49Å; S885-K1050 PolarHBondContact O-NZ 3.4Å
886	E	91.5	Very high	92.1	Very high	105 Å²	105	35.3 Å²	35.3	49%	0.491	18%	0.18	S	C	.	.	H	α-helix	trans	-89.3	-44.6	-178	-170.2	175.5	153.9	0	0	112.1	K882 N883 L884	K882-E886 PolarHBondContact O-N 2.67Å; K882-E886 VanDerWaalsContact O-N 3.09Å; N883-E886 PolarHBondContact O-N 3.09Å; L884-E886 VanDerWaalsContact C-N 3.31Å; L884-E886 PolarHBondContact O-N 3.3Å
887	Y	92.4	Very high	92.3	Very high	40 Å²	40	33.8 Å²	33.8	16%	0.157	18%	0.175	C	C	.	.	H	α-helix	trans	-106.4	-33.9	-169	-57.9	-61.1	0	0	0	115	I416 T418 G555 G556 A567 N883 H889	I416-Y887 HydrophobicContact CG2-CD2 4.15Å; T418-Y887 HydrophobicContact CG2-CD2 4.07Å; T418-Y887 HydrophobicContact CG2-CE1 4.47Å; T418-Y887 HydrophobicContact CG2-CE2 3.66Å; G555-Y887 CarbonylContact C-O 3.57Å; G555-Y887 WeakPolarHBondContact CA-O 3.42Å; G556-Y887 PolarHBondContact N-O 3.38Å; A567-Y887 HydrophobicContact CB-CD1 4.09Å; A567-Y887 HydrophobicContact CB-CD2 4.16Å; A567-Y887 HydrophobicContact CB-CG 3.74Å; N883-Y887 HydrophobicContact CB-CD2 3.95Å; N883-Y887 HydrophobicContact CB-CE2 4.17Å; N883-Y887 WeakPolarHBondContact O-CB 3.24Å; N883-Y887 VanDerWaalsContact O-CD2 3.31Å; N883-Y887 WeakPolarHBondContact O-CD2 3.28Å; N883-Y887 PolarHBondContact O-N 3.11Å; Y887-H889 PolarHBondContact O-ND1 2.96Å; Y887-H889 VanDerWaalsContact O-ND1 3.09Å
888	L	90.4	Very high	92.5	Very high	24 Å²	24	33.8 Å²	33.8	13%	0.126	18%	0.175	C	C	.	.			trans	-72.7	136.4	-175.1	-103.3	75.5	0	0	0	111.8	I416 V569 L884 I1048	I416-L888 HydrophobicContact CD1-CD1 3.81Å; I416-L888 HydrophobicContact CG1-CD1 4.11Å; V569-L888 HydrophobicContact CG1-CD1 4.46Å; V569-L888 HydrophobicContact CG2-CD1 3.62Å; V569-L888 HydrophobicContact CG2-CG 4.44Å; L884-L888 HydrophobicContact CD1-CB 4.19Å; L884-L888 HydrophobicContact CD1-CD1 4.17Å; L884-L888 HydrophobicContact CD1-CD2 3.54Å; L884-L888 HydrophobicContact CD1-CG 4.14Å; L884-L888 WeakPolarHBondContact O-CB 3.25Å; L884-L888 PolarHBondContact O-N 2.87Å; L888-I1048 HydrophobicContact CB-CD1 4.1Å
889	H	84.6	Confident	92.7	Very high	65 Å²	65	33.9 Å²	33.9	30%	0.301	17%	0.174	S	C	.	.			trans	-96.8	-23.2	178.4	-77.6	62.5	0	0	0	113	G556 Y557 Y887	G556-H889 PolarHBondContact N-CE1 3.43Å; Y557-H889 AromaticContact CE1-ND1 3.91Å; Y557-H889 AromaticContact CE2-CD2 3.75Å; Y557-H889 AromaticContact CZ-CD2 3.87Å; Y557-H889 AromaticContact CZ-CG 3.66Å; Y557-H889 AromaticContact CZ-ND1 3.97Å; Y557-H889 PolarHBondContact N-CE1 3.49Å; Y557-H889 PolarHBondContact O-CE1 3.45Å; Y557-H889 PolarHBondContact O-NE2 3.14Å; Y887-H889 PolarHBondContact O-ND1 2.96Å; Y887-H889 VanDerWaalsContact O-ND1 3.09Å
890	T	86.5	Confident	92.7	Very high	7 Å²	7	31.6 Å²	31.6	4%	0.043	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	139.4	-175.1	-49.5	0	0	0	0	110.1	W551 Y942 Y1045	W551-T890 VanDerWaalsContact CD1-OG1 3.31Å; W551-T890 PolarHBondContact O-OG1 2.94Å; T890-Y942 HydrophobicContact CG2-CD2 4.4Å; T890-Y942 HydrophobicContact CG2-CE2 3.83Å; T890-Y1045 VanDerWaalsContact CG2-CB 3.43Å; T890-Y1045 HydrophobicContact CG2-CD1 3.68Å; T890-Y1045 HydrophobicContact CG2-CG 3.69Å
891	G	89.6	Confident	92.5	Very high	19 Å²	19	33.3 Å²	33.3	20%	0.196	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-159.8	175	0	0	0	0	0	113.2	H1046 T1047	G891-H1046 PolarHBondContact N-O 3.29Å; G891-T1047 WeakPolarHBondContact CA-O 3.48Å; G891-T1047 PolarHBondContact N-O 2.93Å
892	A	91.4	Very high	92.5	Very high	27 Å²	27	33.4 Å²	33.4	22%	0.223	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	148.9	178.1	0	0	0	0	0	112.1	H1046 F1083	A892-H1046 WeakPolarHBondContact O-CB 3.21Å; A892-H1046 PolarHBondContact O-N 3.17Å; A892-F1083 HydrophobicContact CB-CD1 4.05Å; A892-F1083 HydrophobicContact CB-CE1 3.95Å
893	P	93.6	Very high	92.5	Very high	17 Å²	17	31.8 Å²	31.8	11%	0.11	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	150	172.6	28.9	-34.5	0	0	0	111.5	F409 Y895 M1043 T1044 Y1045 S1081	F409-P893 HydrophobicContact CE2-CG 3.69Å; F409-P893 HydrophobicContact CZ-CG 3.75Å; P893-Y895 HydrophobicContact CB-CE2 4.08Å; P893-Y895 HydrophobicContact CG-CE2 4.2Å; P893-M1043 HydrophobicContact CB-CE 3.59Å; P893-M1043 HydrophobicContact CG-CE 4.42Å; P893-T1044 CarbonylContact C-O 3.57Å; P893-T1044 WeakPolarHBondContact CA-O 3.31Å; P893-Y1045 HydrophobicContact CB-CD1 4.02Å; P893-Y1045 HydrophobicContact CB-CE1 3.97Å; P893-S1081 WeakPolarHBondContact O-CB 2.91Å; P893-S1081 PolarHBondContact O-OG 3.39Å
894	V	95.5	Very high	92.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.4	173.3	61	0	0	0	0	109.8	F896 I940 T1044 A1079 Y1080 Y1084	V894-F896 HydrophobicContact CG1-CE2 4.01Å; V894-F896 HydrophobicContact CG2-CE2 4.21Å; V894-F896 HydrophobicContact CG2-CZ 4.5Å; V894-I940 HydrophobicContact CG1-CD1 3.95Å; V894-T1044 HydrophobicContact CG1-CG2 3.41Å; V894-T1044 VanDerWaalsContact CG1-CG2 3.41Å; V894-T1044 PolarHBondContact N-O 3.17Å; V894-T1044 PolarHBondContact O-N 3.17Å; V894-A1079 HydrophobicContact CG2-CB 4.07Å; V894-Y1080 WeakPolarHBondContact CA-O 3.31Å; V894-Y1084 WeakPolarHBondContact CG2-OH 3.45Å
895	Y	96.3	Very high	92.6	Very high	11 Å²	11	30 Å²	30	4%	0.043	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	113.7	-177.4	-60.3	-88.9	0	0	0	108.6	F402 F409 P893 V897 Y1041 M1043 A1079 Y1080	F402-Y895 HydrophobicContact CE2-CD1 4.27Å; F402-Y895 HydrophobicContact CE2-CD2 4.29Å; F402-Y895 AromaticContact CE2-CG 3.91Å; F402-Y895 HydrophobicContact CE2-CG 3.91Å; F402-Y895 HydrophobicContact CZ-CD1 4.45Å; F402-Y895 HydrophobicContact CZ-CD2 4.32Å; F402-Y895 HydrophobicContact CZ-CG 4.26Å; F409-Y895 AromaticContact CD2-CE2 3.87Å; F409-Y895 HydrophobicContact CD2-CE2 3.87Å; F409-Y895 AromaticContact CE2-CE2 3.77Å; F409-Y895 HydrophobicContact CE2-CE2 3.77Å; F409-Y895 WeakPolarHBondContact CE2-OH 3.17Å; P893-Y895 HydrophobicContact CB-CE2 4.08Å; P893-Y895 HydrophobicContact CG-CE2 4.2Å; Y895-V897 PolarHBondContact O-N 2.68Å; Y895-Y1041 HydrophobicContact CD1-CD1 4.39Å; Y895-Y1041 AromaticContact CD1-CD2 3.56Å; Y895-Y1041 HydrophobicContact CD1-CD2 3.56Å; Y895-Y1041 AromaticContact CD1-CE2 3.8Å; Y895-Y1041 HydrophobicContact CD1-CE2 3.8Å; Y895-Y1041 AromaticContact CD1-CG 3.91Å; Y895-Y1041 HydrophobicContact CD1-CG 3.91Å; Y895-Y1041 HydrophobicContact CE1-CD2 4.15Å; Y895-Y1041 AromaticContact CE1-CE2 3.89Å; Y895-Y1041 HydrophobicContact CE1-CE2 3.89Å; Y895-M1043 HydrophobicContact CD1-CB 3.9Å; Y895-M1043 HydrophobicContact CD1-CG 4.02Å; Y895-M1043 HydrophobicContact CE1-CB 3.85Å; Y895-M1043 HydrophobicContact CE1-CE 4.48Å; Y895-M1043 HydrophobicContact CE1-CG 3.6Å; Y895-M1043 HydrophobicContact CE1-SD 3.78Å; Y895-A1079 CarbonylContact O-C 3.46Å; Y895-A1079 WeakPolarHBondContact O-CA 3.21Å; Y895-Y1080 AromaticContact CD2-CD1 3.95Å; Y895-Y1080 HydrophobicContact CD2-CD1 3.95Å; Y895-Y1080 PolarHBondContact N-O 3.27Å; Y895-Y1080 PolarHBondContact O-N 3.47Å
896	F	97.2	Very high	92.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	103.2	170	-70.6	-89.3	0	0	0	108.2	V894 I928 I940 Y1041 F1042 T1044 L1065 A1066 I1069 A1079	V894-F896 HydrophobicContact CG1-CE2 4.01Å; V894-F896 HydrophobicContact CG2-CE2 4.21Å; V894-F896 HydrophobicContact CG2-CZ 4.5Å; F896-I928 HydrophobicContact CB-CD1 4.05Å; F896-I928 HydrophobicContact CD1-CD1 4.29Å; F896-I928 HydrophobicContact CD2-CD1 3.51Å; F896-I928 HydrophobicContact CD2-CG1 4.17Å; F896-I928 HydrophobicContact CE2-CD1 4Å; F896-I928 HydrophobicContact CE2-CG1 4.17Å; F896-I928 HydrophobicContact CE2-CG2 4.28Å; F896-I928 HydrophobicContact CG-CD1 3.68Å; F896-I928 HydrophobicContact CG-CG1 4.41Å; F896-I928 HydrophobicContact CZ-CG1 4.42Å; F896-I940 HydrophobicContact CE2-CD1 4.4Å; F896-I940 HydrophobicContact CZ-CD1 4.31Å; F896-Y1041 CarbonylContact O-C 3.56Å; F896-Y1041 WeakPolarHBondContact O-CA 3.43Å; F896-F1042 HydrophobicContact CB-CB 4.41Å; F896-F1042 PolarHBondContact N-O 3.42Å; F896-F1042 PolarHBondContact O-N 3.36Å; F896-T1044 HydrophobicContact CD2-CG2 4.31Å; F896-T1044 HydrophobicContact CE2-CG2 3.87Å; F896-L1065 HydrophobicContact CE1-CB 4.45Å; F896-L1065 HydrophobicContact CE1-CD2 4.03Å; F896-L1065 HydrophobicContact CE1-CG 4.12Å; F896-L1065 HydrophobicContact CZ-CD2 3.74Å; F896-L1065 HydrophobicContact CZ-CG 4.35Å; F896-A1066 HydrophobicContact CD1-CB 4.39Å; F896-A1066 HydrophobicContact CE1-CB 4.37Å; F896-I1069 HydrophobicContact CD1-CD1 4.32Å; F896-A1079 HydrophobicContact CD1-CB 4.16Å; F896-A1079 HydrophobicContact CE1-CB 3.97Å; F896-A1079 HydrophobicContact CZ-CB 4.49Å
897	V	97.4	Very high	92.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.9	-175	-176	0	0	0	0	109.4	Y401 F402 F406 Y895 T1040 V1077 F1078	Y401-V897 HydrophobicContact CD1-CG1 4.49Å; Y401-V897 HydrophobicContact CE1-CG1 4.19Å; F402-V897 HydrophobicContact CD2-CG2 3.85Å; F402-V897 HydrophobicContact CE2-CG2 4.38Å; F406-V897 HydrophobicContact CE2-CG1 3.88Å; F406-V897 HydrophobicContact CE2-CG2 4.43Å; F406-V897 HydrophobicContact CZ-CG1 4.39Å; Y895-V897 PolarHBondContact O-N 2.68Å; V897-T1040 CarbonylContact C-O 3.49Å; V897-T1040 WeakPolarHBondContact CA-O 3.13Å; V897-V1077 VanDerWaalsContact O-CA 3.31Å; V897-V1077 WeakPolarHBondContact O-CA 3.19Å; V897-V1077 WeakPolarHBondContact O-CG1 3.44Å; V897-F1078 HydrophobicContact CB-CD1 4.23Å; V897-F1078 HydrophobicContact CB-CD2 4.32Å; V897-F1078 HydrophobicContact CB-CE1 3.79Å; V897-F1078 HydrophobicContact CB-CE2 3.89Å; V897-F1078 HydrophobicContact CB-CG 4.48Å; V897-F1078 HydrophobicContact CB-CZ 3.61Å; V897-F1078 HydrophobicContact CG1-CE1 3.74Å; V897-F1078 HydrophobicContact CG1-CE2 4.43Å; V897-F1078 HydrophobicContact CG1-CZ 3.67Å; V897-F1078 HydrophobicContact CG2-CD2 4.49Å; V897-F1078 HydrophobicContact CG2-CE2 3.87Å; V897-F1078 HydrophobicContact CG2-CZ 3.92Å; V897-F1078 PolarHBondContact N-O 3.48Å; V897-F1078 PolarHBondContact O-N 3.28Å; V897-F1078 VanDerWaalsContact O-N 3.09Å
898	V	97	Very high	92.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	119.7	169.1	-172.6	0	0	0	0	107.3	H902 Y904 L924 A1039 T1040 F1042 M1073 V1077	V898-H902 HydrophobicContact CG1-CB 4.05Å; V898-Y904 WeakPolarHBondContact CB-OH 3.42Å; V898-Y904 WeakPolarHBondContact CG1-OH 3.4Å; V898-L924 HydrophobicContact CG2-CD1 3.55Å; V898-A1039 WeakPolarHBondContact O-CA 3.42Å; V898-T1040 PolarHBondContact N-O 2.93Å; V898-T1040 PolarHBondContact O-N 3.21Å; V898-T1040 VanDerWaalsContact O-N 3.17Å; V898-F1042 HydrophobicContact CG2-CD2 4.26Å; V898-F1042 HydrophobicContact CG2-CE2 3.94Å; V898-M1073 HydrophobicContact CG1-CE 4.28Å; V898-V1077 HydrophobicContact CG1-CG2 4.48Å; V898-V1077 HydrophobicContact CG2-CG2 4.16Å
899	E	95.2	Very high	92.6	Very high	38 Å²	38	32.8 Å²	32.8	18%	0.178	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-67	164.9	-179.4	-70.6	-173.9	171.6	0	0	112.1	Y401 H1075 K1076 F1078	Y401-E899 HydrophobicContact CE1-CG 4.16Å; Y401-E899 WeakPolarHBondContact OH-CA 3.39Å; E899-H1075 PolarHBondContact O-NE2 3.2Å; E899-K1076 HydrophobicContact CG-CG 4.47Å; E899-K1076 PolarHBondContact N-O 2.87Å; E899-K1076 WeakPolarHBondContact OE1-CE 3.4Å; E899-K1076 IonicContact OE1-NZ 2.69Å; E899-K1076 PolarHBondContact OE1-NZ 3.49Å; E899-K1076 WeakPolarHBondContact OE2-CB 3.38Å; E899-K1076 VanDerWaalsContact OE2-CD 3.24Å; E899-K1076 WeakPolarHBondContact OE2-CD 3.31Å; E899-K1076 WeakPolarHBondContact OE2-CG 3.34Å; E899-K1076 IonicContact OE2-NZ 3.21Å; E899-K1076 PolarHBondContact OE2-NZ 2.74Å; E899-F1078 HydrophobicContact CG-CD1 4.07Å; E899-F1078 HydrophobicContact CG-CE1 3.88Å
900	D	93.2	Very high	93.1	Very high	50 Å²	50	29.7 Å²	29.7	27%	0.267	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	146.2	174.6	-61.4	-61.9	0	0	0	112.9	Y401 H405 G1038 A1039 H1075	Y401-D900 PolarHBondContact OH-N 2.91Å; Y401-D900 PolarHBondContact OH-OD2 3.34Å; H405-D900 IonicContact CE1-OD2 3.75Å; H405-D900 IonicContact NE2-OD2 2.71Å; H405-D900 PolarHBondContact NE2-OD2 3.12Å; D900-G1038 WeakPolarHBondContact OD1-CA 3.43Å; D900-A1039 PolarHBondContact OD1-N 2.89Å; D900-H1075 PolarHBondContact O-CE1 3.07Å; D900-H1075 PolarHBondContact O-NE2 3.38Å
901	G	90.2	Very high	93.3	Very high	58 Å²	58	31.1 Å²	31.1	60%	0.598	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	106.8	-7.5	172.2	0	0	0	0	0	114.9
902	H	93.6	Very high	93.5	Very high	22 Å²	22	30.9 Å²	30.9	10%	0.102	19%	0.185	C	C	.	.			trans	-70.7	132.1	171.9	-170	63.6	0	0	0	111.5	V898 Y904 G909 S912	V898-H902 HydrophobicContact CG1-CB 4.05Å; H902-Y904 HydrophobicContact CB-CD2 4.42Å; H902-Y904 HydrophobicContact CB-CE2 3.89Å; H902-Y904 AromaticContact CD2-CD1 3.85Å; H902-Y904 AromaticContact CD2-CD2 3.92Å; H902-Y904 AromaticContact CD2-CE1 3.64Å; H902-Y904 AromaticContact CD2-CE2 3.72Å; H902-Y904 AromaticContact CD2-CG 3.99Å; H902-Y904 AromaticContact CD2-CZ 3.57Å; H902-Y904 WeakPolarHBondContact O-CD2 3.15Å; H902-Y904 PolarHBondContact O-N 3.24Å; H902-G909 PolarHBondContact NE2-O 3.45Å; H902-S912 PolarHBondContact CE1-OG 3.49Å; H902-S912 VanDerWaalsContact CE1-OG 3.22Å; H902-S912 PolarHBondContact NE2-OG 2.8Å
903	N	92.4	Very high	93.6	Very high	90 Å²	90	29.6 Å²	29.6	48%	0.481	18%	0.175	S	C	.	.			trans	-91.1	91.7	-178.4	-174.6	-3.9	0	0	0	111.8	S905 S906 G909	N903-S905 VanDerWaalsContact C-N 3.26Å; N903-S905 PolarHBondContact O-N 2.84Å; N903-S905 PolarHBondContact OD1-N 3.34Å; N903-S906 PolarHBondContact O-OG 3.16Å; N903-S906 PolarHBondContact OD1-N 3.33Å; N903-G909 WeakPolarHBondContact O-CA 3.25Å
904	Y	93.5	Very high	93.5	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.008	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-13.2	176.8	-65.6	-87.6	0	0	0	114.7	V898 H902 Q910 V913 W947 L948 V1037 T1040	V898-Y904 WeakPolarHBondContact CB-OH 3.42Å; V898-Y904 WeakPolarHBondContact CG1-OH 3.4Å; H902-Y904 HydrophobicContact CB-CD2 4.42Å; H902-Y904 HydrophobicContact CB-CE2 3.89Å; H902-Y904 AromaticContact CD2-CD1 3.85Å; H902-Y904 AromaticContact CD2-CD2 3.92Å; H902-Y904 AromaticContact CD2-CE1 3.64Å; H902-Y904 AromaticContact CD2-CE2 3.72Å; H902-Y904 AromaticContact CD2-CG 3.99Å; H902-Y904 AromaticContact CD2-CZ 3.57Å; H902-Y904 WeakPolarHBondContact O-CD2 3.15Å; H902-Y904 PolarHBondContact O-N 3.24Å; Y904-Q910 WeakPolarHBondContact O-CG 3.41Å; Y904-Q910 PolarHBondContact O-NE2 3.48Å; Y904-V913 HydrophobicContact CE1-CG1 4.4Å; Y904-V913 HydrophobicContact CE1-CG2 4.06Å; Y904-W947 AromaticContact CD1-CH2 3.86Å; Y904-W947 HydrophobicContact CD1-CH2 3.86Å; Y904-W947 AromaticContact CD1-CZ2 3.73Å; Y904-W947 HydrophobicContact CD1-CZ2 3.73Å; Y904-W947 HydrophobicContact CE1-CH2 4.22Å; Y904-W947 AromaticContact CE1-CZ2 3.59Å; Y904-W947 HydrophobicContact CE1-CZ2 3.59Å; Y904-W947 HydrophobicContact CG-CH2 4.15Å; Y904-W947 HydrophobicContact CG-CZ2 4.29Å; Y904-L948 HydrophobicContact CD1-CD2 4.37Å; Y904-V1037 HydrophobicContact CD2-CB 3.68Å; Y904-V1037 HydrophobicContact CD2-CG1 3.72Å; Y904-V1037 HydrophobicContact CD2-CG2 4.3Å; Y904-V1037 HydrophobicContact CE2-CB 4.23Å; Y904-V1037 HydrophobicContact CE2-CG1 3.81Å; Y904-V1037 HydrophobicContact CG-CB 4.41Å; Y904-V1037 HydrophobicContact CG-CG1 4.47Å; Y904-T1040 HydrophobicContact CE2-CG2 4.22Å; Y904-T1040 PolarHBondContact OH-OG1 3.45Å
905	S	91.9	Very high	92.9	Very high	24 Å²	24	28.8 Å²	28.8	17%	0.168	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-8.4	-178.2	-51.7	0	0	0	0	113.4	N903 G997	N903-S905 VanDerWaalsContact C-N 3.26Å; N903-S905 PolarHBondContact O-N 2.84Å; N903-S905 PolarHBondContact OD1-N 3.34Å; S905-G997 PolarHBondContact O-N 3.05Å
906	S	92.6	Very high	92	Very high	33 Å²	33	28.7 Å²	28.7	23%	0.231	17%	0.172	C	C	.	.	S	Bend	trans	-98.8	148.2	177.6	78.6	0	0	0	0	111.8	N903 E908 G909 Q910	N903-S906 PolarHBondContact O-OG 3.16Å; N903-S906 PolarHBondContact OD1-N 3.33Å; S906-E908 VanDerWaalsContact C-N 3.31Å; S906-E908 PolarHBondContact O-N 3.39Å; S906-G909 PolarHBondContact O-N 3.01Å; S906-G909 PolarHBondContact OG-N 2.92Å; S906-G909 VanDerWaalsContact OG-N 3.1Å; S906-Q910 WeakPolarHBondContact O-CG 3.18Å; S906-Q910 PolarHBondContact O-N 3.39Å
907	P	90.8	Very high	91.2	Very high	54 Å²	54	30.4 Å²	30.4	35%	0.351	18%	0.182	S	C	.	.	H	α-helix	trans	-62.5	-36.7	179.7	23.5	-33.4	0	0	0	112.7	Q910 N911	P907-Q910 PolarHBondContact O-N 2.92Å; P907-N911 WeakPolarHBondContact O-CB 3.5Å; P907-N911 PolarHBondContact O-N 3.25Å; P907-N911 PolarHBondContact O-ND2 3.35Å; P907-N911 PolarHBondContact O-OD1 3.01Å
908	E	91.1	Very high	90.4	Very high	164 Å²	164	33 Å²	33	77%	0.766	21%	0.209	S	C	*	.	H	α-helix	trans	-64.5	-45	176	-67.7	-179	177.6	0	0	111.6	S906 Q910 N911 S912	S906-E908 VanDerWaalsContact C-N 3.31Å; S906-E908 PolarHBondContact O-N 3.39Å; E908-Q910 VanDerWaalsContact C-N 3.35Å; E908-Q910 PolarHBondContact O-N 3.36Å; E908-N911 PolarHBondContact O-N 3.24Å; E908-S912 PolarHBondContact O-N 2.9Å; E908-S912 VanDerWaalsContact O-N 3.11Å
909	G	91.9	Very high	89.8	Confident	7 Å²	7	34 Å²	34	7%	0.072	22%	0.216	C	C	.	.	H	α-helix	trans	-64.1	-39.5	176.9	0	0	0	0	0	112.4	H902 N903 S906 S912	H902-G909 PolarHBondContact NE2-O 3.45Å; N903-G909 WeakPolarHBondContact O-CA 3.25Å; S906-G909 PolarHBondContact O-N 3.01Å; S906-G909 PolarHBondContact OG-N 2.92Å; S906-G909 VanDerWaalsContact OG-N 3.1Å; G909-S912 PolarHBondContact O-OG 2.89Å
910	Q	93.6	Very high	89.4	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-47.3	173.9	-66.8	171.9	6.9	0	0	111.8	Y904 S906 P907 E908 S912 V913 C914 F952 P995	Y904-Q910 WeakPolarHBondContact O-CG 3.41Å; Y904-Q910 PolarHBondContact O-NE2 3.48Å; S906-Q910 WeakPolarHBondContact O-CG 3.18Å; S906-Q910 PolarHBondContact O-N 3.39Å; P907-Q910 PolarHBondContact O-N 2.92Å; E908-Q910 VanDerWaalsContact C-N 3.35Å; E908-Q910 PolarHBondContact O-N 3.36Å; Q910-S912 VanDerWaalsContact C-N 3.25Å; Q910-S912 PolarHBondContact O-N 2.04Å; Q910-V913 PolarHBondContact O-N 2.94Å; Q910-V913 VanDerWaalsContact O-N 3.07Å; Q910-C914 PolarHBondContact O-N 2.8Å; Q910-C914 PolarHBondContact O-SG 2.93Å; Q910-F952 HydrophobicContact CB-CE2 4.48Å; Q910-F952 HydrophobicContact CB-CZ 3.98Å; Q910-F952 HydrophobicContact CG-CE1 4.49Å; Q910-F952 HydrophobicContact CG-CZ 3.73Å; Q910-P995 PolarHBondContact NE2-O 3.32Å
911	N	92	Very high	89	Confident	37 Å²	37	40 Å²	40	20%	0.198	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-28.5	-177.8	-72.6	-12.4	0	0	0	113.8	P907 E908 V913 G918 N920 R994	P907-N911 WeakPolarHBondContact O-CB 3.5Å; P907-N911 PolarHBondContact O-N 3.25Å; P907-N911 PolarHBondContact O-ND2 3.35Å; P907-N911 PolarHBondContact O-OD1 3.01Å; E908-N911 PolarHBondContact O-N 3.24Å; N911-V913 VanDerWaalsContact C-N 3.25Å; N911-V913 PolarHBondContact O-N 3.06Å; N911-G918 PolarHBondContact OD1-O 3.38Å; N911-G918 VanDerWaalsContact OD1-O 3.13Å; N911-N920 WeakPolarHBondContact O-CB 3.16Å; N911-N920 PolarHBondContact O-N 3.34Å; N911-N920 VanDerWaalsContact O-N 3.07Å; N911-R994 PolarHBondContact OD1-NH1 2.7Å
912	S	93.3	Very high	88.9	Confident	13 Å²	13	41.1 Å²	41.1	9%	0.091	24%	0.241	C	C	.	.	H	α-helix	trans	-71.4	-18.7	176	74	0	0	0	0	113.5	H902 E908 G909 Q910 S923 L924	H902-S912 PolarHBondContact CE1-OG 3.49Å; H902-S912 VanDerWaalsContact CE1-OG 3.22Å; H902-S912 PolarHBondContact NE2-OG 2.8Å; E908-S912 PolarHBondContact O-N 2.9Å; E908-S912 VanDerWaalsContact O-N 3.11Å; G909-S912 PolarHBondContact O-OG 2.89Å; Q910-S912 VanDerWaalsContact C-N 3.25Å; Q910-S912 PolarHBondContact O-N 2.04Å; S912-S923 CarbonylContact O-C 3.58Å; S912-S923 WeakPolarHBondContact O-CA 3.38Å; S912-S923 WeakPolarHBondContact O-CB 3.39Å; S912-L924 PolarHBondContact O-N 3.45Å
913	V	93.8	Very high	88.8	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-109.8	-48	-174.7	177.8	0	0	0	0	112.5	Y904 Q910 N911 V925 L948 F1042 M1073	Y904-V913 HydrophobicContact CE1-CG1 4.4Å; Y904-V913 HydrophobicContact CE1-CG2 4.06Å; Q910-V913 PolarHBondContact O-N 2.94Å; Q910-V913 VanDerWaalsContact O-N 3.07Å; N911-V913 VanDerWaalsContact C-N 3.25Å; N911-V913 PolarHBondContact O-N 3.06Å; V913-V925 WeakPolarHBondContact O-CB 3.47Å; V913-V925 WeakPolarHBondContact O-CG2 3.45Å; V913-V925 PolarHBondContact O-N 3.19Å; V913-L948 HydrophobicContact CB-CD2 3.92Å; V913-L948 HydrophobicContact CG1-CD2 3.91Å; V913-F1042 HydrophobicContact CG1-CE1 3.9Å; V913-F1042 HydrophobicContact CG1-CE2 3.89Å; V913-F1042 HydrophobicContact CG1-CZ 3.27Å; V913-M1073 HydrophobicContact CG2-CE 3.5Å; V913-M1073 VanDerWaalsContact CG2-CE 3.5Å
914	C	90.2	Very high	88.9	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.214	C	C	.	.			trans	-68	158.8	-167	63.5	0	0	0	0	115	Q910 C919 S923 L948 D949 F952 R994	Q910-C914 PolarHBondContact O-N 2.8Å; Q910-C914 PolarHBondContact O-SG 2.93Å; C914-C919 HydrophobicContact CB-CB 4.22Å; C914-C919 WeakPolarHBondContact CB-SG 3.39Å; C914-C919 WeakPolarHBondContact O-CB 3.33Å; C914-C919 PolarHBondContact O-SG 3.38Å; C914-C919 VanDerWaalsContact O-SG 3.4Å; C914-C919 WeakPolarHBondContact SG-CB 3.34Å; C914-C919 CovalentContact SG-SG 2.01Å; C914-C919 PolarHBondContact SG-SG 2.95Å; C914-S923 WeakPolarHBondContact O-CB 3.35Å; C914-S923 PolarHBondContact O-OG 3.15Å; C914-L948 HydrophobicContact CB-CD2 4.16Å; C914-D949 WeakPolarHBondContact CB-OD1 3.25Å; C914-F952 HydrophobicContact CB-CE2 4.24Å; C914-R994 PolarHBondContact SG-NH1 2.83Å; C914-R994 PolarHBondContact SG-NH2 2.9Å
915	G	83.9	Confident	88.8	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.01	21%	0.214	C	C	.	.			trans	-107.7	-6.4	176.3	0	0	0	0	0	115.5	S243 D949	S243-G915 VanDerWaalsContact CB-O 3.25Å; S243-G915 WeakPolarHBondContact CB-O 3.36Å; S243-G915 PolarHBondContact OG-O 2.96Å; G915-D949 PolarHBondContact N-OD1 3.43Å; G915-D949 VanDerWaalsContact N-OD1 3.09Å; G915-D949 PolarHBondContact N-OD2 3.2Å
916	G	78.1	Confident	88.6	Confident	8 Å²	8	35.1 Å²	35.1	8%	0.082	21%	0.208	C	C	.	.	S	Bend	trans	-82.3	-166.8	-178.1	0	0	0	0	0	116.8	G918 C919 D949	G916-G918 PolarHBondContact O-N 2.96Å; G916-C919 PolarHBondContact N-SG 2.8Å; G916-C919 WeakPolarHBondContact O-CB 3.31Å; G916-C919 PolarHBondContact O-N 3.16Å; G916-C919 PolarHBondContact O-SG 3.11Å; G916-D949 PolarHBondContact N-OD1 3.14Å; G916-D949 VanDerWaalsContact N-OD1 3.12Å
917	V	80.6	Confident	88.6	Confident	36 Å²	36	35.1 Å²	35.1	22%	0.218	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	126.2	-179.5	171.9	0	0	0	0	111.8	R110 P112 R994	R110-V917 WeakPolarHBondContact O-CG2 3.43Å; P112-V917 HydrophobicContact CG-CG2 4.32Å; V917-R994 PolarHBondContact O-NH2 3.5Å
918	G	78.9	Confident	88.7	Confident	55 Å²	55	32.6 Å²	32.6	57%	0.567	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.6	1.7	178.4	0	0	0	0	0	115	N911 G916	N911-G918 PolarHBondContact OD1-O 3.38Å; N911-G918 VanDerWaalsContact OD1-O 3.13Å; G916-G918 PolarHBondContact O-N 2.96Å
919	C	85.5	Confident	88.6	Confident	20 Å²	20	26.1 Å²	26.1	14%	0.135	16%	0.157	C	C	.	.			trans	-78.5	163.2	173.1	-52.1	0	0	0	0	112.1	C914 G916 R994	C914-C919 HydrophobicContact CB-CB 4.22Å; C914-C919 WeakPolarHBondContact CB-SG 3.39Å; C914-C919 WeakPolarHBondContact O-CB 3.33Å; C914-C919 PolarHBondContact O-SG 3.38Å; C914-C919 VanDerWaalsContact O-SG 3.4Å; C914-C919 WeakPolarHBondContact SG-CB 3.34Å; C914-C919 CovalentContact SG-SG 2.01Å; C914-C919 PolarHBondContact SG-SG 2.95Å; G916-C919 PolarHBondContact N-SG 2.8Å; G916-C919 WeakPolarHBondContact O-CB 3.31Å; G916-C919 PolarHBondContact O-N 3.16Å; G916-C919 PolarHBondContact O-SG 3.11Å; C919-R994 PolarHBondContact SG-NH2 3.39Å
920	N	87.2	Confident	88.4	Confident	71 Å²	71	27.8 Å²	27.8	38%	0.38	17%	0.167	S	C	.	.			trans	-73.2	145.5	176.6	-66.2	-18.1	0	0	0	111.3	N911 N922 S923	N911-N920 WeakPolarHBondContact O-CB 3.16Å; N911-N920 PolarHBondContact O-N 3.34Å; N911-N920 VanDerWaalsContact O-N 3.07Å; N920-N922 WeakPolarHBondContact CB-OD1 3.44Å; N920-N922 PolarHBondContact O-N 2.98Å; N920-N922 VanDerWaalsContact O-N 3.16Å; N920-S923 WeakPolarHBondContact O-CB 3.49Å; N920-S923 PolarHBondContact O-N 3.3Å; N920-S923 PolarHBondContact O-OG 2.91Å
921	N	83.6	Confident	88.3	Confident	145 Å²	145	28 Å²	28	78%	0.775	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.5	176	-69.4	-8.6	0	0	0	113.5	Q926	N921-Q926 WeakPolarHBondContact O-CG 3.43Å
922	N	87.7	Confident	88.2	Confident	80 Å²	80	27 Å²	27	43%	0.428	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	25.5	175.5	66.6	-22.1	0	0	0	111.9	N920 Q927 S1072	N920-N922 WeakPolarHBondContact CB-OD1 3.44Å; N920-N922 PolarHBondContact O-N 2.98Å; N920-N922 VanDerWaalsContact O-N 3.16Å; N922-Q927 PolarHBondContact O-NE2 3.18Å; N922-S1072 PolarHBondContact O-OG 3.32Å
923	S	91.9	Very high	87.9	Confident	1 Å²	1	30 Å²	30	1%	0.007	18%	0.18	C	C	.	.			trans	-64.5	163	173.9	71.2	0	0	0	0	112.2	S912 C914 N920 V925 Q926 Q927	S912-S923 CarbonylContact O-C 3.58Å; S912-S923 WeakPolarHBondContact O-CA 3.38Å; S912-S923 WeakPolarHBondContact O-CB 3.39Å; C914-S923 WeakPolarHBondContact O-CB 3.35Å; C914-S923 PolarHBondContact O-OG 3.15Å; N920-S923 WeakPolarHBondContact O-CB 3.49Å; N920-S923 PolarHBondContact O-N 3.3Å; N920-S923 PolarHBondContact O-OG 2.91Å; S923-V925 PolarHBondContact O-N 2.8Å; S923-Q926 PolarHBondContact O-N 3.47Å; S923-Q926 VanDerWaalsContact OG-CB 3.26Å; S923-Q926 WeakPolarHBondContact OG-CB 3.04Å; S923-Q926 PolarHBondContact OG-N 3.22Å; S923-Q927 WeakPolarHBondContact O-CB 3.04Å; S923-Q927 WeakPolarHBondContact O-CG 3.37Å; S923-Q927 PolarHBondContact O-N 3.38Å
924	L	94.1	Very high	87.7	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-51.6	-54.1	176.7	-177	150.9	0	0	0	111.9	V898 S912 Q926 Q927 I928 F1042 I1069 M1073 V1077	V898-L924 HydrophobicContact CG2-CD1 3.55Å; S912-L924 PolarHBondContact O-N 3.45Å; L924-Q926 PolarHBondContact O-N 3.49Å; L924-Q927 PolarHBondContact O-N 3.19Å; L924-I928 HydrophobicContact CD2-CD1 3.65Å; L924-I928 HydrophobicContact CG-CD1 4.3Å; L924-I928 WeakPolarHBondContact O-CG1 3.23Å; L924-I928 PolarHBondContact O-N 2.03Å; L924-F1042 HydrophobicContact CD1-CD2 4.06Å; L924-F1042 HydrophobicContact CD1-CE2 4.27Å; L924-F1042 HydrophobicContact CD2-CB 3.94Å; L924-F1042 HydrophobicContact CD2-CD1 4.02Å; L924-F1042 HydrophobicContact CD2-CD2 3.58Å; L924-F1042 HydrophobicContact CD2-CE2 4.14Å; L924-F1042 HydrophobicContact CD2-CG 3.54Å; L924-I1069 HydrophobicContact CB-CG2 3.95Å; L924-I1069 HydrophobicContact CD1-CG2 3.9Å; L924-I1069 HydrophobicContact CG-CD1 4.44Å; L924-I1069 HydrophobicContact CG-CG2 3.85Å; L924-M1073 HydrophobicContact CB-SD 3.82Å; L924-M1073 HydrophobicContact CD1-SD 3.85Å; L924-M1073 HydrophobicContact CG-SD 4.41Å; L924-V1077 HydrophobicContact CD1-CG1 4.25Å; L924-V1077 HydrophobicContact CD1-CG2 4.35Å
925	V	92.1	Very high	87.6	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-41.6	-177.4	168.8	0	0	0	0	111.2	V913 S923 Q927 I928 Y929 P944 F1042	V913-V925 WeakPolarHBondContact O-CB 3.47Å; V913-V925 WeakPolarHBondContact O-CG2 3.45Å; V913-V925 PolarHBondContact O-N 3.19Å; S923-V925 PolarHBondContact O-N 2.8Å; V925-Q927 PolarHBondContact O-N 3.24Å; V925-I928 PolarHBondContact O-N 3.35Å; V925-Y929 WeakPolarHBondContact O-CB 3.41Å; V925-Y929 PolarHBondContact O-N 2.94Å; V925-P944 HydrophobicContact CB-CG 4.38Å; V925-P944 HydrophobicContact CG1-CG 3.98Å; V925-P944 HydrophobicContact CG2-CG 4.45Å; V925-F1042 HydrophobicContact CG2-CD1 4.04Å; V925-F1042 HydrophobicContact CG2-CE1 4.13Å
926	Q	88.9	Confident	87.7	Confident	12 Å²	12	41.2 Å²	41.2	6%	0.056	24%	0.242	C	C	.	.	H	α-helix	trans	-69	-34.6	-178.8	-173.2	61.3	47.7	0	0	112.6	C244 N921 S923 L924 S930	C244-Q926 PolarHBondContact SG-NE2 3.43Å; N921-Q926 WeakPolarHBondContact O-CG 3.43Å; S923-Q926 PolarHBondContact O-N 3.47Å; S923-Q926 VanDerWaalsContact OG-CB 3.26Å; S923-Q926 WeakPolarHBondContact OG-CB 3.04Å; S923-Q926 PolarHBondContact OG-N 3.22Å; L924-Q926 PolarHBondContact O-N 3.49Å; Q926-S930 WeakPolarHBondContact O-CB 3.46Å; Q926-S930 PolarHBondContact O-N 3.3Å; Q926-S930 PolarHBondContact O-OG 3.45Å
927	Q	91.2	Very high	88.2	Confident	33 Å²	33	44.7 Å²	44.7	15%	0.154	25%	0.253	C	S	.	.	H	α-helix	trans	-68.4	-42.6	175.9	-76.2	-171.9	61.9	0	0	112	N922 S923 L924 V925 S930 A931 L1065 I1069 S1072	N922-Q927 PolarHBondContact O-NE2 3.18Å; S923-Q927 WeakPolarHBondContact O-CB 3.04Å; S923-Q927 WeakPolarHBondContact O-CG 3.37Å; S923-Q927 PolarHBondContact O-N 3.38Å; L924-Q927 PolarHBondContact O-N 3.19Å; V925-Q927 PolarHBondContact O-N 3.24Å; Q927-S930 PolarHBondContact O-N 3.08Å; Q927-A931 WeakPolarHBondContact O-CB 3.3Å; Q927-A931 PolarHBondContact O-N 3.3Å; Q927-L1065 HydrophobicContact CB-CD1 4.22Å; Q927-I1069 HydrophobicContact CB-CD1 4.34Å; Q927-I1069 HydrophobicContact CB-CG1 3.97Å; Q927-I1069 HydrophobicContact CG-CG1 4.45Å; Q927-S1072 PolarHBondContact NE2-OG 2.95Å
928	I	92.7	Very high	88.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.5	-40.8	176.1	-58	166	0	0	0	110.5	F896 L924 V925 S930 A931 S932 I940 P944 T1044 L1065 I1069	F896-I928 HydrophobicContact CB-CD1 4.05Å; F896-I928 HydrophobicContact CD1-CD1 4.29Å; F896-I928 HydrophobicContact CD2-CD1 3.51Å; F896-I928 HydrophobicContact CD2-CG1 4.17Å; F896-I928 HydrophobicContact CE2-CD1 4Å; F896-I928 HydrophobicContact CE2-CG1 4.17Å; F896-I928 HydrophobicContact CE2-CG2 4.28Å; F896-I928 HydrophobicContact CG-CD1 3.68Å; F896-I928 HydrophobicContact CG-CG1 4.41Å; F896-I928 HydrophobicContact CZ-CG1 4.42Å; L924-I928 HydrophobicContact CD2-CD1 3.65Å; L924-I928 HydrophobicContact CG-CD1 4.3Å; L924-I928 WeakPolarHBondContact O-CG1 3.23Å; L924-I928 PolarHBondContact O-N 2.03Å; V925-I928 PolarHBondContact O-N 3.35Å; I928-S930 VanDerWaalsContact C-N 3.33Å; I928-S930 PolarHBondContact O-N 2.85Å; I928-A931 WeakPolarHBondContact O-CB 3.18Å; I928-A931 PolarHBondContact O-N 3.12Å; I928-A931 VanDerWaalsContact O-N 3.14Å; I928-S932 PolarHBondContact O-N 2.7Å; I928-I940 HydrophobicContact CG2-CG2 4.2Å; I928-P944 HydrophobicContact CB-CB 4.35Å; I928-P944 HydrophobicContact CB-CG 3.88Å; I928-P944 HydrophobicContact CD1-CB 4.1Å; I928-P944 HydrophobicContact CD1-CG 4.25Å; I928-P944 HydrophobicContact CG2-CB 4.01Å; I928-P944 HydrophobicContact CG2-CG 3.92Å; I928-T1044 HydrophobicContact CG2-CG2 4.07Å; I928-L1065 HydrophobicContact CG1-CD2 4.3Å; I928-I1069 HydrophobicContact CD1-CD1 4.41Å; I928-I1069 HydrophobicContact CG1-CD1 3.94Å
929	Y	89.6	Confident	89.3	Confident	29 Å²	29	42 Å²	42	11%	0.114	23%	0.226	C	C	.	.	H	α-helix	trans	-57.8	-45.7	172	174.1	-103.3	0	0	0	111.9	Q245 V925 A931 S932 L933 T943	Q245-Y929 HydrophobicContact CG-CD2 4.23Å; Q245-Y929 HydrophobicContact CG-CE2 4.32Å; Q245-Y929 HydrophobicContact CG-CG 4.5Å; V925-Y929 WeakPolarHBondContact O-CB 3.41Å; V925-Y929 PolarHBondContact O-N 2.94Å; Y929-A931 PolarHBondContact O-N 2.71Å; Y929-S932 PolarHBondContact O-N 2.69Å; Y929-S932 VanDerWaalsContact O-N 3.17Å; Y929-S932 PolarHBondContact O-OG 3.38Å; Y929-L933 HydrophobicContact CE1-CD1 4.04Å; Y929-L933 PolarHBondContact O-N 3.42Å; Y929-T943 HydrophobicContact CD2-CG2 3.45Å; Y929-T943 VanDerWaalsContact CD2-CG2 3.45Å; Y929-T943 HydrophobicContact CE2-CG2 3.85Å
930	S	88.8	Confident	89.7	Confident	41 Å²	41	41.1 Å²	41.1	29%	0.287	22%	0.22	S	C	.	.	H	α-helix	trans	-63.8	-33.4	177.7	-57.3	0	0	0	0	111.8	Q926 Q927 I928	Q926-S930 WeakPolarHBondContact O-CB 3.46Å; Q926-S930 PolarHBondContact O-N 3.3Å; Q926-S930 PolarHBondContact O-OG 3.45Å; Q927-S930 PolarHBondContact O-N 3.08Å; I928-S930 VanDerWaalsContact C-N 3.33Å; I928-S930 PolarHBondContact O-N 2.85Å
931	A	90.4	Very high	89.7	Confident	7 Å²	7	38.8 Å²	38.8	6%	0.058	21%	0.211	C	C	.	.	H	α-helix	trans	-69.1	-37.4	174.4	0	0	0	0	0	112.4	Q927 I928 Y929 L933 I934 T938 L1065	Q927-A931 WeakPolarHBondContact O-CB 3.3Å; Q927-A931 PolarHBondContact O-N 3.3Å; I928-A931 WeakPolarHBondContact O-CB 3.18Å; I928-A931 PolarHBondContact O-N 3.12Å; I928-A931 VanDerWaalsContact O-N 3.14Å; Y929-A931 PolarHBondContact O-N 2.71Å; A931-L933 VanDerWaalsContact C-N 3.26Å; A931-L933 PolarHBondContact O-N 2.87Å; A931-I934 CarbonylContact O-C 3.58Å; A931-I934 WeakPolarHBondContact O-CG1 3.32Å; A931-I934 PolarHBondContact O-N 2.89Å; A931-I934 VanDerWaalsContact O-N 3.17Å; A931-T938 HydrophobicContact CB-CG2 3.96Å; A931-T938 PolarHBondContact O-OG1 3.49Å; A931-L1065 HydrophobicContact CB-CD1 4.44Å; A931-L1065 HydrophobicContact CB-CD2 3.76Å
932	S	89.9	Confident	89.8	Confident	15 Å²	15	34.4 Å²	34.4	11%	0.105	18%	0.183	C	C	.	.	H	α-helix	trans	-68.1	-24.7	178.9	72.9	0	0	0	0	113.3	I928 Y929 I934 S935 I940 Y942	I928-S932 PolarHBondContact O-N 2.7Å; Y929-S932 PolarHBondContact O-N 2.69Å; Y929-S932 VanDerWaalsContact O-N 3.17Å; Y929-S932 PolarHBondContact O-OG 3.38Å; S932-I934 PolarHBondContact O-N 2.95Å; S932-S935 PolarHBondContact O-N 3.21Å; S932-I940 WeakPolarHBondContact CA-O 3.43Å; S932-Y942 WeakPolarHBondContact CB-O 3.42Å
933	L	86.9	Confident	89.7	Confident	76 Å²	76	31.4 Å²	31.4	40%	0.398	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.6	173.8	-63.9	176.8	0	0	0	113.6	Y929 A931	Y929-L933 HydrophobicContact CE1-CD1 4.04Å; Y929-L933 PolarHBondContact O-N 3.42Å; A931-L933 VanDerWaalsContact C-N 3.26Å; A931-L933 PolarHBondContact O-N 2.87Å
934	I	89.6	Confident	89.5	Confident	35 Å²	35	31.3 Å²	31.3	18%	0.179	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	46.3	177.9	51.9	166.6	0	0	0	110.9	P255 A931 S932 N936 Y937 T938	P255-I934 HydrophobicContact CB-CD1 4.49Å; P255-I934 HydrophobicContact CG-CG2 4.26Å; P255-I934 WeakPolarHBondContact O-CG2 3.48Å; A931-I934 CarbonylContact O-C 3.58Å; A931-I934 WeakPolarHBondContact O-CG1 3.32Å; A931-I934 PolarHBondContact O-N 2.89Å; A931-I934 VanDerWaalsContact O-N 3.17Å; S932-I934 PolarHBondContact O-N 2.95Å; I934-N936 PolarHBondContact O-N 3.21Å; I934-N936 VanDerWaalsContact O-N 3.14Å; I934-Y937 HydrophobicContact CD1-CD1 4.17Å; I934-Y937 PolarHBondContact O-N 2.73Å; I934-T938 HydrophobicContact CD1-CG2 3.67Å; I934-T938 HydrophobicContact CG1-CG2 3.7Å; I934-T938 PolarHBondContact O-N 3.28Å; I934-T938 PolarHBondContact O-OG1 3.28Å
935	S	87.4	Confident	89.2	Confident	36 Å²	36	32.6 Å²	32.6	25%	0.252	18%	0.176	S	C	.	.	H	α-helix	trans	-51.5	-35.4	-175.6	58.7	0	0	0	0	114.6	S932 Y937 T939 I940	S932-S935 PolarHBondContact O-N 3.21Å; S935-Y937 PolarHBondContact O-N 3.38Å; S935-T939 WeakPolarHBondContact O-CA 3.4Å; S935-T939 PolarHBondContact O-N 3.43Å; S935-I940 VanDerWaalsContact CA-O 3.31Å; S935-I940 WeakPolarHBondContact CA-O 3.43Å; S935-I940 WeakPolarHBondContact CB-O 3.36Å
936	N	87.3	Confident	89.1	Confident	165 Å²	165	32.6 Å²	32.6	88%	0.882	18%	0.176	S	C	*	.	H	α-helix	trans	-63.2	-21.6	176	-69.4	-14.5	0	0	0	114.1	I934	I934-N936 PolarHBondContact O-N 3.21Å; I934-N936 VanDerWaalsContact O-N 3.14Å
937	Y	88.3	Confident	89.2	Confident	82 Å²	82	32.1 Å²	32.1	32%	0.322	17%	0.174	S	C	.	.	H	α-helix	trans	-104	-45.7	179.4	178.5	-103.9	0	0	0	112.2	P257 P258 I934 S935 M1061	P257-Y937 HydrophobicContact CB-CD1 4.21Å; P257-Y937 HydrophobicContact CB-CD2 4.05Å; P257-Y937 HydrophobicContact CB-CG 3.79Å; P258-Y937 HydrophobicContact CG-CE1 4.43Å; P258-Y937 HydrophobicContact CG-CE2 4.3Å; P258-Y937 WeakPolarHBondContact CG-OH 3.48Å; I934-Y937 HydrophobicContact CD1-CD1 4.17Å; I934-Y937 PolarHBondContact O-N 2.73Å; S935-Y937 PolarHBondContact O-N 3.38Å; Y937-M1061 HydrophobicContact CE1-CE 4.47Å; Y937-M1061 HydrophobicContact CE1-SD 4.27Å; Y937-M1061 HydrophobicContact CE2-CE 4.27Å
938	T	89.8	Confident	89.3	Confident	17 Å²	17	30.5 Å²	30.5	10%	0.104	17%	0.167	C	C	.	.	H	α-helix	trans	-85.4	-14.8	-176.4	57.7	0	0	0	0	113.1	A931 I934 I940 M1061	A931-T938 HydrophobicContact CB-CG2 3.96Å; A931-T938 PolarHBondContact O-OG1 3.49Å; I934-T938 HydrophobicContact CD1-CG2 3.67Å; I934-T938 HydrophobicContact CG1-CG2 3.7Å; I934-T938 PolarHBondContact O-N 3.28Å; I934-T938 PolarHBondContact O-OG1 3.28Å; T938-I940 PolarHBondContact O-N 3.34Å; T938-I940 PolarHBondContact OG1-N 3.08Å; T938-M1061 WeakPolarHBondContact O-CB 3.24Å
939	T	92.5	Very high	89.1	Confident	17 Å²	17	30.7 Å²	30.7	10%	0.104	17%	0.168	C	C	.	.			trans	59.9	15.2	-173.1	73	0	0	0	0	114.6	S935 H1046 T1047 A1058	S935-T939 WeakPolarHBondContact O-CA 3.4Å; S935-T939 PolarHBondContact O-N 3.43Å; T939-H1046 CarbonylContact O-C 3.5Å; T939-H1046 WeakPolarHBondContact O-CA 3.48Å; T939-H1046 PolarHBondContact O-ND1 3.27Å; T939-H1046 PolarHBondContact OG1-ND1 3.23Å; T939-T1047 PolarHBondContact O-N 2.7Å; T939-A1058 HydrophobicContact CG2-CB 4.24Å; T939-A1058 VanDerWaalsContact OG1-CA 3.22Å; T939-A1058 WeakPolarHBondContact OG1-CA 3.05Å; T939-A1058 WeakPolarHBondContact OG1-CB 3.3Å
940	I	93.1	Very high	89	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.005	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-95.7	121.5	172.1	-58.7	-60.9	0	0	0	107.6	V894 F896 I928 S932 S935 T938 T1044 L1065	V894-I940 HydrophobicContact CG1-CD1 3.95Å; F896-I940 HydrophobicContact CE2-CD1 4.4Å; F896-I940 HydrophobicContact CZ-CD1 4.31Å; I928-I940 HydrophobicContact CG2-CG2 4.2Å; S932-I940 WeakPolarHBondContact CA-O 3.43Å; S935-I940 VanDerWaalsContact CA-O 3.31Å; S935-I940 WeakPolarHBondContact CA-O 3.43Å; S935-I940 WeakPolarHBondContact CB-O 3.36Å; T938-I940 PolarHBondContact O-N 3.34Å; T938-I940 PolarHBondContact OG1-N 3.08Å; I940-T1044 HydrophobicContact CD1-CG2 4.47Å; I940-T1044 HydrophobicContact CG2-CG2 4.01Å; I940-L1065 HydrophobicContact CG1-CD2 4.41Å
941	A	87.4	Confident	89.1	Confident	23 Å²	23	27.5 Å²	27.5	19%	0.19	15%	0.149	C	C	.	.			trans	-87.8	-41.9	-173.1	0	0	0	0	0	112.8	Y1045 T1047	A941-Y1045 PolarHBondContact N-O 3.04Å; A941-T1047 HydrophobicContact CB-CG2 3.99Å
942	Y	85.9	Confident	89.1	Confident	53 Å²	53	27.8 Å²	27.8	21%	0.208	15%	0.149	C	C	.	.	S	Bend	trans	-126.9	168.3	-168.5	-59.4	-77.4	0	0	0	113.4	W551 T890 S932 T1044	W551-Y942 WeakPolarHBondContact CB-OH 3.25Å; W551-Y942 AromaticContact CD1-CE2 3.85Å; W551-Y942 AromaticContact CD1-CZ 3.91Å; W551-Y942 HydrophobicContact CD2-CE1 4.1Å; W551-Y942 AromaticContact CD2-CZ 3.94Å; W551-Y942 HydrophobicContact CE3-CE1 4.33Å; W551-Y942 HydrophobicContact CG-CE1 4.4Å; W551-Y942 HydrophobicContact CG-CE2 4.17Å; W551-Y942 AromaticContact CG-CZ 3.76Å; W551-Y942 AromaticContact NE1-CE2 4Å; T890-Y942 HydrophobicContact CG2-CD2 4.4Å; T890-Y942 HydrophobicContact CG2-CE2 3.83Å; S932-Y942 WeakPolarHBondContact CB-O 3.42Å; Y942-T1044 PolarHBondContact O-OG1 3.32Å
943	T	85.3	Confident	88.7	Confident	16 Å²	16	27.4 Å²	27.4	10%	0.098	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-67.8	147.2	174.5	59.5	0	0	0	0	110.8	N173 Y929	N173-T943 PolarHBondContact ND2-O 2.85Å; N173-T943 PolarHBondContact OD1-O 3.43Å; N173-T943 PolarHBondContact OD1-OG1 3.32Å; Y929-T943 HydrophobicContact CD2-CG2 3.45Å; Y929-T943 VanDerWaalsContact CD2-CG2 3.45Å; Y929-T943 HydrophobicContact CE2-CG2 3.85Å
944	P	88.6	Confident	88.8	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-73.4	142.5	177.1	33.4	-36.6	0	0	0	110.7	V925 I928 F1042	V925-P944 HydrophobicContact CB-CG 4.38Å; V925-P944 HydrophobicContact CG1-CG 3.98Å; V925-P944 HydrophobicContact CG2-CG 4.45Å; I928-P944 HydrophobicContact CB-CB 4.35Å; I928-P944 HydrophobicContact CB-CG 3.88Å; I928-P944 HydrophobicContact CD1-CB 4.1Å; I928-P944 HydrophobicContact CD1-CG 4.25Å; I928-P944 HydrophobicContact CG2-CB 4.01Å; I928-P944 HydrophobicContact CG2-CG 3.92Å; P944-F1042 HydrophobicContact CB-CB 4.46Å
945	S	86.9	Confident	88.8	Confident	26 Å²	26	22.4 Å²	22.4	18%	0.182	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-70.8	133.8	162.9	58.1	0	0	0	0	109.6	F1042 M1043	S945-F1042 WeakPolarHBondContact O-CD1 3.24Å; S945-M1043 PolarHBondContact N-O 3.11Å; S945-M1043 PolarHBondContact OG-O 3.01Å
946	S	90.2	Very high	88.6	Confident	1 Å²	1	23 Å²	23	1%	0.007	12%	0.118	C	C	.	.			trans	-128.1	104.8	-173.9	178.1	0	0	0	0	111.3	L948 D949 D950	S946-L948 VanDerWaalsContact C-N 3.25Å; S946-L948 PolarHBondContact O-N 2.89Å; S946-D949 WeakPolarHBondContact CB-OD2 3.27Å; S946-D949 PolarHBondContact O-N 3.33Å; S946-D949 PolarHBondContact OG-N 3.25Å; S946-D949 PolarHBondContact OG-OD2 3.45Å; S946-D950 PolarHBondContact O-N 3.04Å
947	W	92.2	Very high	88.2	Confident	1 Å²	1	15.7 Å²	15.7	0%	0.004	8%	0.08	C	C	.	.	H	α-helix	trans	-62.5	-33.7	177.7	68.2	-96.7	0	0	0	112.2	Y904 Y951 F1000 L1004 Y1024 V1028 V1037 T1040 F1042	Y904-W947 AromaticContact CD1-CH2 3.86Å; Y904-W947 HydrophobicContact CD1-CH2 3.86Å; Y904-W947 AromaticContact CD1-CZ2 3.73Å; Y904-W947 HydrophobicContact CD1-CZ2 3.73Å; Y904-W947 HydrophobicContact CE1-CH2 4.22Å; Y904-W947 AromaticContact CE1-CZ2 3.59Å; Y904-W947 HydrophobicContact CE1-CZ2 3.59Å; Y904-W947 HydrophobicContact CG-CH2 4.15Å; Y904-W947 HydrophobicContact CG-CZ2 4.29Å; W947-Y951 WeakPolarHBondContact O-CB 3.45Å; W947-Y951 PolarHBondContact O-N 2.92Å; W947-F1000 HydrophobicContact CH2-CZ 4.14Å; W947-F1000 HydrophobicContact CZ3-CZ 4.14Å; W947-L1004 HydrophobicContact CE3-CD1 4.23Å; W947-L1004 HydrophobicContact CZ3-CD1 3.83Å; W947-L1004 HydrophobicContact CZ3-CD2 4.35Å; W947-Y1024 HydrophobicContact CB-CD1 3.52Å; W947-Y1024 HydrophobicContact CB-CD2 3.98Å; W947-Y1024 HydrophobicContact CB-CE1 4.06Å; W947-Y1024 HydrophobicContact CB-CE2 4.46Å; W947-Y1024 HydrophobicContact CB-CG 3.48Å; W947-Y1024 VanDerWaalsContact CB-CG 3.48Å; W947-V1028 HydrophobicContact CB-CG2 4.17Å; W947-V1028 HydrophobicContact CD2-CG2 3.43Å; W947-V1028 VanDerWaalsContact CD2-CG2 3.43Å; W947-V1028 HydrophobicContact CE3-CG2 3.81Å; W947-V1028 HydrophobicContact CG-CG2 3.59Å; W947-V1028 HydrophobicContact CZ2-CG2 4.34Å; W947-V1028 HydrophobicContact CZ3-CG2 4.4Å; W947-V1037 HydrophobicContact CH2-CG1 4.4Å; W947-V1037 HydrophobicContact CZ2-CG1 4.46Å; W947-T1040 HydrophobicContact CZ2-CG2 3.72Å; W947-F1042 AromaticContact CD1-CE1 3.97Å; W947-F1042 AromaticContact CD1-CZ 3.87Å; W947-F1042 AromaticContact NE1-CE2 3.98Å; W947-F1042 AromaticContact NE1-CZ 3.46Å
948	L	92.3	Very high	87.5	Confident	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-70.6	-40.4	-176.9	-174.6	65.4	0	0	0	111.6	Y904 V913 C914 S946 Y951 F952 F1000	Y904-L948 HydrophobicContact CD1-CD2 4.37Å; V913-L948 HydrophobicContact CB-CD2 3.92Å; V913-L948 HydrophobicContact CG1-CD2 3.91Å; C914-L948 HydrophobicContact CB-CD2 4.16Å; S946-L948 VanDerWaalsContact C-N 3.25Å; S946-L948 PolarHBondContact O-N 2.89Å; L948-Y951 PolarHBondContact O-N 2.96Å; L948-F952 HydrophobicContact CD1-CE1 3.93Å; L948-F952 HydrophobicContact CD1-CE2 4Å; L948-F952 HydrophobicContact CD1-CZ 3.5Å; L948-F952 HydrophobicContact CD2-CE2 4.1Å; L948-F952 HydrophobicContact CD2-CZ 4.15Å; L948-F952 HydrophobicContact CG-CD2 4.35Å; L948-F952 HydrophobicContact CG-CE1 4.44Å; L948-F952 HydrophobicContact CG-CE2 3.61Å; L948-F952 HydrophobicContact CG-CZ 3.66Å; L948-F952 VanDerWaalsContact O-CD2 3.24Å; L948-F952 WeakPolarHBondContact O-CD2 3.28Å; L948-F952 VanDerWaalsContact O-CG 3.28Å; L948-F952 WeakPolarHBondContact O-CG 2.98Å; L948-F952 PolarHBondContact O-N 3.3Å; L948-F1000 HydrophobicContact CD1-CE2 3.77Å; L948-F1000 HydrophobicContact CD1-CZ 3.92Å
949	D	88.9	Confident	86.8	Confident	4 Å²	4	13.3 Å²	13.3	2%	0.021	7%	0.071	C	C	.	.	H	α-helix	trans	-67.6	-42.8	177.4	-74	-59.1	0	0	0	111.5	C914 G915 G916 S946 F952 D953	C914-D949 WeakPolarHBondContact CB-OD1 3.25Å; G915-D949 PolarHBondContact N-OD1 3.43Å; G915-D949 VanDerWaalsContact N-OD1 3.09Å; G915-D949 PolarHBondContact N-OD2 3.2Å; G916-D949 PolarHBondContact N-OD1 3.14Å; G916-D949 VanDerWaalsContact N-OD1 3.12Å; S946-D949 WeakPolarHBondContact CB-OD2 3.27Å; S946-D949 PolarHBondContact O-N 3.33Å; S946-D949 PolarHBondContact OG-N 3.25Å; S946-D949 PolarHBondContact OG-OD2 3.45Å; D949-F952 PolarHBondContact O-N 2.03Å; D949-D953 PolarHBondContact O-N 2.89Å; D949-D953 VanDerWaalsContact O-N 3.11Å
950	D	87.3	Confident	86.1	Confident	2 Å²	2	13.9 Å²	13.9	1%	0.011	8%	0.075	C	C	.	.	H	α-helix	trans	-69.6	-34.1	176.5	-82.3	-11.5	0	0	0	112.3	S171 S946 D953 W954 F1007 Y1024	S171-D950 VanDerWaalsContact CB-OD2 3.25Å; S171-D950 WeakPolarHBondContact CB-OD2 3.33Å; S171-D950 PolarHBondContact N-OD2 3.22Å; S946-D950 PolarHBondContact O-N 3.04Å; D950-D953 PolarHBondContact O-N 3.14Å; D950-W954 VanDerWaalsContact O-CB 3.28Å; D950-W954 WeakPolarHBondContact O-CB 3.34Å; D950-W954 PolarHBondContact O-N 3.34Å; D950-F1007 HydrophobicContact CB-CZ 4.27Å; D950-Y1024 HydrophobicContact CB-CE2 3.92Å; D950-Y1024 WeakPolarHBondContact OD2-CE2 3.33Å; D950-Y1024 PolarHBondContact OD2-OH 3.16Å
951	Y	91.3	Very high	85.6	Confident	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.5	-47.1	171.7	172.8	-117.4	0	0	0	111.8	W947 L948 D953 W954 V955 P995 F1000 F1003 L1004 F1007	W947-Y951 WeakPolarHBondContact O-CB 3.45Å; W947-Y951 PolarHBondContact O-N 2.92Å; L948-Y951 PolarHBondContact O-N 2.96Å; Y951-D953 VanDerWaalsContact C-N 3.31Å; Y951-D953 PolarHBondContact O-N 3.49Å; Y951-W954 HydrophobicContact CD2-CE3 4.41Å; Y951-W954 HydrophobicContact CE2-CE3 4.41Å; Y951-W954 PolarHBondContact O-N 2.94Å; Y951-V955 HydrophobicContact CD2-CG2 3.79Å; Y951-V955 HydrophobicContact CE1-CG2 4.31Å; Y951-V955 HydrophobicContact CE2-CG2 3.26Å; Y951-V955 HydrophobicContact CG-CG2 4.49Å; Y951-V955 WeakPolarHBondContact O-CG2 3.48Å; Y951-V955 PolarHBondContact O-N 3.14Å; Y951-P995 HydrophobicContact CE1-CG 3.88Å; Y951-F1000 HydrophobicContact CD1-CD2 4.37Å; Y951-F1000 AromaticContact CD1-CE2 3.82Å; Y951-F1000 HydrophobicContact CD1-CE2 3.82Å; Y951-F1000 HydrophobicContact CD1-CZ 4.32Å; Y951-F1000 AromaticContact CE1-CD2 3.58Å; Y951-F1000 HydrophobicContact CE1-CD2 3.58Å; Y951-F1000 AromaticContact CE1-CE2 3.45Å; Y951-F1000 HydrophobicContact CE1-CE2 3.45Å; Y951-F1000 VanDerWaalsContact CE1-CE2 3.45Å; Y951-F1000 HydrophobicContact CE1-CG 4.25Å; Y951-F1000 HydrophobicContact CE1-CZ 4.06Å; Y951-F1000 PolarHBondContact OH-O 3.34Å; Y951-F1003 HydrophobicContact CE2-CB 4.26Å; Y951-F1003 WeakPolarHBondContact OH-CB 3.31Å; Y951-L1004 HydrophobicContact CD2-CD1 4.08Å; Y951-L1004 HydrophobicContact CE2-CB 4.15Å; Y951-L1004 HydrophobicContact CE2-CD1 4.24Å; Y951-L1004 HydrophobicContact CG-CD1 4.23Å; Y951-L1004 PolarHBondContact OH-N 3.22Å; Y951-F1007 HydrophobicContact CD2-CB 3.7Å; Y951-F1007 AromaticContact CD2-CD1 3.84Å; Y951-F1007 HydrophobicContact CD2-CD1 3.84Å; Y951-F1007 HydrophobicContact CD2-CD2 4.31Å; Y951-F1007 AromaticContact CD2-CG 3.7Å; Y951-F1007 HydrophobicContact CD2-CG 3.7Å; Y951-F1007 HydrophobicContact CE2-CB 4.05Å; Y951-F1007 HydrophobicContact CG-CD1 4.37Å
952	F	89.1	Confident	85.7	Confident	14 Å²	14	12.9 Å²	12.9	6%	0.061	7%	0.066	C	C	.	.	H	α-helix	trans	-61.4	-41.2	176.6	-65.2	-32.2	0	0	0	112.1	Q910 C914 L948 D949 W954 K956 R994 P995 F1000	Q910-F952 HydrophobicContact CB-CE2 4.48Å; Q910-F952 HydrophobicContact CB-CZ 3.98Å; Q910-F952 HydrophobicContact CG-CE1 4.49Å; Q910-F952 HydrophobicContact CG-CZ 3.73Å; C914-F952 HydrophobicContact CB-CE2 4.24Å; L948-F952 HydrophobicContact CD1-CE1 3.93Å; L948-F952 HydrophobicContact CD1-CE2 4Å; L948-F952 HydrophobicContact CD1-CZ 3.5Å; L948-F952 HydrophobicContact CD2-CE2 4.1Å; L948-F952 HydrophobicContact CD2-CZ 4.15Å; L948-F952 HydrophobicContact CG-CD2 4.35Å; L948-F952 HydrophobicContact CG-CE1 4.44Å; L948-F952 HydrophobicContact CG-CE2 3.61Å; L948-F952 HydrophobicContact CG-CZ 3.66Å; L948-F952 VanDerWaalsContact O-CD2 3.24Å; L948-F952 WeakPolarHBondContact O-CD2 3.28Å; L948-F952 VanDerWaalsContact O-CG 3.28Å; L948-F952 WeakPolarHBondContact O-CG 2.98Å; L948-F952 PolarHBondContact O-N 3.3Å; D949-F952 PolarHBondContact O-N 2.03Å; F952-W954 VanDerWaalsContact C-N 3.31Å; F952-W954 PolarHBondContact O-N 3.07Å; F952-K956 WeakPolarHBondContact O-CG 3.41Å; F952-K956 PolarHBondContact O-N 3.35Å; F952-R994 HydrophobicContact CD1-CG 4.43Å; F952-R994 HydrophobicContact CE1-CB 4.35Å; F952-R994 HydrophobicContact CE1-CG 4.5Å; F952-R994 HydrophobicContact CG-CG 4.45Å; F952-P995 HydrophobicContact CD1-CG 4.16Å; F952-P995 HydrophobicContact CE1-CG 4.25Å; F952-F1000 HydrophobicContact CE1-CD2 4.41Å; F952-F1000 HydrophobicContact CE1-CE2 4.06Å
953	D	83.4	Confident	85.9	Confident	7 Å²	7	12.6 Å²	12.6	4%	0.037	6%	0.064	C	C	.	.	H	α-helix	trans	-67.1	-32.5	176.7	-73.4	-23.7	0	0	0	112.7	R110 D949 D950 Y951 K956 K1018	R110-D953 VanDerWaalsContact CG-OD2 3.26Å; R110-D953 WeakPolarHBondContact CG-OD2 3.19Å; R110-D953 IonicContact NH1-OD2 3.89Å; R110-D953 PolarHBondContact NH1-OD2 3.29Å; D949-D953 PolarHBondContact O-N 2.89Å; D949-D953 VanDerWaalsContact O-N 3.11Å; D950-D953 PolarHBondContact O-N 3.14Å; Y951-D953 VanDerWaalsContact C-N 3.31Å; Y951-D953 PolarHBondContact O-N 3.49Å; D953-K956 WeakPolarHBondContact OD1-CE 3.46Å; D953-K956 IonicContact OD1-NZ 3.7Å; D953-K956 PolarHBondContact OD1-NZ 3.17Å; D953-K1018 HydrophobicContact CB-CD 3.7Å; D953-K1018 VanDerWaalsContact CG-NZ 3.26Å; D953-K1018 IonicContact OD2-NZ 3.09Å; D953-K1018 PolarHBondContact OD2-NZ 2.04Å
954	W	87.2	Confident	86.1	Confident	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-72.9	-39.6	177.5	-179.4	96.2	0	0	0	112.9	D950 Y951 F952 C961 C962 F971 F1003 M1006 F1007 D1010	D950-W954 VanDerWaalsContact O-CB 3.28Å; D950-W954 WeakPolarHBondContact O-CB 3.34Å; D950-W954 PolarHBondContact O-N 3.34Å; Y951-W954 HydrophobicContact CD2-CE3 4.41Å; Y951-W954 HydrophobicContact CE2-CE3 4.41Å; Y951-W954 PolarHBondContact O-N 2.94Å; F952-W954 VanDerWaalsContact C-N 3.31Å; F952-W954 PolarHBondContact O-N 3.07Å; W954-C961 VanDerWaalsContact CD1-CB 3.43Å; W954-C961 HydrophobicContact CD2-CB 4.39Å; W954-C961 HydrophobicContact CG-CB 3.94Å; W954-C962 HydrophobicContact CD2-CB 4.14Å; W954-C962 HydrophobicContact CE3-CB 3.8Å; W954-C962 HydrophobicContact CH2-CB 3.77Å; W954-C962 WeakPolarHBondContact CH2-SG 3.31Å; W954-C962 HydrophobicContact CZ2-CB 4.12Å; W954-C962 HydrophobicContact CZ3-CB 3.62Å; W954-C962 WeakPolarHBondContact CZ3-SG 3.26Å; W954-F971 HydrophobicContact CH2-CD2 4.35Å; W954-F971 AromaticContact CH2-CE2 3.9Å; W954-F971 HydrophobicContact CH2-CE2 3.9Å; W954-F971 HydrophobicContact CZ2-CD2 4.32Å; W954-F971 AromaticContact CZ2-CE2 3.46Å; W954-F971 HydrophobicContact CZ2-CE2 3.46Å; W954-F971 VanDerWaalsContact CZ2-CE2 3.46Å; W954-F971 AromaticContact CZ2-CZ 3.84Å; W954-F971 HydrophobicContact CZ2-CZ 3.84Å; W954-F1003 HydrophobicContact CZ3-CB 4.29Å; W954-M1006 HydrophobicContact CH2-CB 3.84Å; W954-F1007 HydrophobicContact CB-CD2 3.86Å; W954-F1007 HydrophobicContact CB-CE2 4.09Å; W954-F1007 HydrophobicContact CD2-CB 4.09Å; W954-F1007 AromaticContact CD2-CD2 3.8Å; W954-F1007 HydrophobicContact CD2-CD2 3.8Å; W954-F1007 HydrophobicContact CD2-CG 4.42Å; W954-F1007 HydrophobicContact CE3-CB 3.73Å; W954-F1007 HydrophobicContact CE3-CD2 4.13Å; W954-F1007 HydrophobicContact CE3-CG 4.35Å; W954-F1007 AromaticContact CG-CD2 3.65Å; W954-F1007 HydrophobicContact CG-CD2 3.65Å; W954-F1007 HydrophobicContact CG-CE2 4.26Å; W954-F1007 HydrophobicContact CH2-CB 4.15Å; W954-F1007 HydrophobicContact CZ2-CB 4.45Å; W954-F1007 HydrophobicContact CZ3-CB 3.74Å; W954-D1010 HydrophobicContact CZ2-CB 4.18Å; W954-D1010 PolarHBondContact NE1-OD2 3.34Å
955	V	90.3	Very high	86.1	Confident	5 Å²	5	17 Å²	17	3%	0.03	8%	0.081	C	C	.	.	H	α-helix	trans	-75.9	-23.1	-179.9	174.5	0	0	0	0	113.3	Y951 R985 P995 F1003	Y951-V955 HydrophobicContact CD2-CG2 3.79Å; Y951-V955 HydrophobicContact CE1-CG2 4.31Å; Y951-V955 HydrophobicContact CE2-CG2 3.26Å; Y951-V955 HydrophobicContact CG-CG2 4.49Å; Y951-V955 WeakPolarHBondContact O-CG2 3.48Å; Y951-V955 PolarHBondContact O-N 3.14Å; V955-R985 HydrophobicContact CG1-CG 3.72Å; V955-P995 HydrophobicContact CG1-CB 4.48Å; V955-P995 HydrophobicContact CG1-CG 4.23Å; V955-F1003 HydrophobicContact CG1-CD2 4.23Å; V955-F1003 HydrophobicContact CG2-CB 4.16Å
956	K	83.4	Confident	86	Confident	49 Å²	49	21 Å²	21	21%	0.213	10%	0.1	C	C	.	.			trans	-47	129.7	-177.7	-90.9	172	-169.4	169.5	0	111.3	S109 F952 D953 Q958 S959	S109-K956 PolarHBondContact O-NZ 3.27Å; F952-K956 WeakPolarHBondContact O-CG 3.41Å; F952-K956 PolarHBondContact O-N 3.35Å; D953-K956 WeakPolarHBondContact OD1-CE 3.46Å; D953-K956 IonicContact OD1-NZ 3.7Å; D953-K956 PolarHBondContact OD1-NZ 3.17Å; K956-Q958 PolarHBondContact O-N 3.3Å; K956-Q958 VanDerWaalsContact O-N 3.12Å; K956-S959 WeakPolarHBondContact O-CA 3.26Å; K956-S959 WeakPolarHBondContact O-CB 3.11Å; K956-S959 PolarHBondContact O-N 3.49Å
957	P	78.8	Confident	85.8	Confident	11 Å²	11	27.3 Å²	27.3	7%	0.071	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.1	-176.3	26.7	-36	0	0	0	113.5	S959 R985 M987 K992	P957-S959 VanDerWaalsContact C-N 3.29Å; P957-R985 HydrophobicContact CB-CB 4.17Å; P957-R985 WeakPolarHBondContact CB-O 3.48Å; P957-M987 HydrophobicContact CB-SD 4.21Å; P957-M987 HydrophobicContact CG-SD 4.14Å; P957-K992 HydrophobicContact CG-CG 4.19Å
958	Q	73.6	Confident	85.4	Confident	43 Å²	43	32.1 Å²	32.1	20%	0.201	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-29.1	172.9	-51.1	100.1	-36.1	0	0	111.4	L105 K956 M987	L105-Q958 HydrophobicContact CD1-CB 4.03Å; L105-Q958 HydrophobicContact CD2-CB 3.52Å; L105-Q958 WeakPolarHBondContact CD2-O 3.07Å; L105-Q958 HydrophobicContact CG-CB 4.27Å; K956-Q958 PolarHBondContact O-N 3.3Å; K956-Q958 VanDerWaalsContact O-N 3.12Å; Q958-M987 HydrophobicContact CB-CE 4.43Å; Q958-M987 HydrophobicContact CG-CE 3.48Å; Q958-M987 VanDerWaalsContact CG-CE 3.48Å; Q958-M987 HydrophobicContact CG-SD 3.9Å
959	S	75.1	Confident	84.9	Confident	6 Å²	6	33.7 Å²	33.7	4%	0.042	18%	0.18	C	C	.	.	S	Bend	trans	-73.3	138.6	172.3	-179	0	0	0	0	110	K956 P957 C961	K956-S959 WeakPolarHBondContact O-CA 3.26Å; K956-S959 WeakPolarHBondContact O-CB 3.11Å; K956-S959 PolarHBondContact O-N 3.49Å; P957-S959 VanDerWaalsContact C-N 3.29Å; S959-C961 PolarHBondContact O-N 2.91Å; S959-C961 VanDerWaalsContact OG-CB 3.24Å; S959-C961 WeakPolarHBondContact OG-CB 3.43Å; S959-C961 PolarHBondContact OG-N 3.22Å; S959-C961 PolarHBondContact OG-SG 3.37Å
960	T	77.1	Confident	84.8	Confident	30 Å²	30	35.8 Å²	35.8	18%	0.184	20%	0.198	C	C	.	.	S	Bend	trans	-87.2	6.3	172.8	60.3	0	0	0	0	112.9	Q102 R963	Q102-T960 VanDerWaalsContact CD-CG2 3.41Å; Q102-T960 HydrophobicContact CG-CG2 3.88Å; Q102-T960 PolarHBondContact NE2-OG1 3.04Å; Q102-T960 VanDerWaalsContact OE1-CG2 3.3Å; T960-R963 WeakPolarHBondContact O-CD 3.37Å
961	C	84.2	Confident	84.9	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-67.1	-60.3	-177.9	-72.5	0	0	0	0	111.3	W954 S959 R963 C1016	W954-C961 VanDerWaalsContact CD1-CB 3.43Å; W954-C961 HydrophobicContact CD2-CB 4.39Å; W954-C961 HydrophobicContact CG-CB 3.94Å; S959-C961 PolarHBondContact O-N 2.91Å; S959-C961 VanDerWaalsContact OG-CB 3.24Å; S959-C961 WeakPolarHBondContact OG-CB 3.43Å; S959-C961 PolarHBondContact OG-N 3.22Å; S959-C961 PolarHBondContact OG-SG 3.37Å; C961-R963 PolarHBondContact O-N 3.03Å; C961-C1016 HydrophobicContact CB-CB 4.02Å; C961-C1016 WeakPolarHBondContact CB-SG 3.1Å; C961-C1016 WeakPolarHBondContact SG-CB 3.29Å; C961-C1016 CovalentContact SG-SG 2.03Å; C961-C1016 PolarHBondContact SG-SG 2.95Å
962	C	89.6	Confident	84.7	Confident	2 Å²	2	38 Å²	38	1%	0.014	21%	0.207	C	C	.	.			trans	-79.9	104.4	-177.2	-163.3	0	0	0	0	111.5	W954 C984	W954-C962 HydrophobicContact CD2-CB 4.14Å; W954-C962 HydrophobicContact CE3-CB 3.8Å; W954-C962 HydrophobicContact CH2-CB 3.77Å; W954-C962 WeakPolarHBondContact CH2-SG 3.31Å; W954-C962 HydrophobicContact CZ2-CB 4.12Å; W954-C962 HydrophobicContact CZ3-CB 3.62Å; W954-C962 WeakPolarHBondContact CZ3-SG 3.26Å; C962-C984 VanDerWaalsContact CA-SG 3.52Å; C962-C984 HydrophobicContact CB-CB 3.68Å; C962-C984 WeakPolarHBondContact CB-SG 3.03Å; C962-C984 PolarHBondContact O-N 3.18Å; C962-C984 PolarHBondContact O-SG 2.73Å; C962-C984 WeakPolarHBondContact SG-CB 3.45Å; C962-C984 CovalentContact SG-SG 2.02Å; C962-C984 PolarHBondContact SG-SG 3.28Å
963	R	88.8	Confident	84.4	Confident	47 Å²	47	40 Å²	40	18%	0.177	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	151.5	173.3	-60	171.9	67.8	-160.8	1.7	110.2	T960 C961 F971 C972 V976 N978 C981 V982 C984	T960-R963 WeakPolarHBondContact O-CD 3.37Å; C961-R963 PolarHBondContact O-N 3.03Å; R963-F971 VanDerWaalsContact O-CD2 3.29Å; R963-F971 WeakPolarHBondContact O-CD2 3.26Å; R963-C972 HydrophobicContact CB-CB 4.17Å; R963-C972 PolarHBondContact O-N 3.09Å; R963-V976 PolarHBondContact NH1-O 2.81Å; R963-V976 VanDerWaalsContact NH1-O 3.09Å; R963-N978 PolarHBondContact NH2-O 2.96Å; R963-C981 PolarHBondContact NH2-O 2.92Å; R963-V982 CarbonylContact C-O 3.54Å; R963-V982 WeakPolarHBondContact CA-O 3.42Å; R963-V982 WeakPolarHBondContact CB-O 3.49Å; R963-C984 PolarHBondContact N-SG 3.37Å
964	F	89.1	Confident	84.3	Confident	43 Å²	43	40 Å²	40	19%	0.189	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	156.6	174.7	71	-84.5	0	0	0	111.2	N966 A970 C981 V982	F964-N966 PolarHBondContact O-N 2.99Å; F964-A970 CarbonylContact C-O 3.57Å; F964-A970 VanDerWaalsContact CA-O 3.24Å; F964-A970 WeakPolarHBondContact CA-O 3.22Å; F964-A970 WeakPolarHBondContact CB-O 3.39Å; F964-C981 WeakPolarHBondContact O-CA 3.29Å; F964-V982 HydrophobicContact CD1-CG2 4.24Å; F964-V982 HydrophobicContact CD2-CG2 4.35Å; F964-V982 HydrophobicContact CE1-CG2 3.81Å; F964-V982 HydrophobicContact CE2-CG2 3.94Å; F964-V982 HydrophobicContact CG-CG2 4.49Å; F964-V982 HydrophobicContact CZ-CG2 3.66Å; F964-V982 PolarHBondContact N-O 3.45Å; F964-V982 PolarHBondContact O-N 3.36Å
965	Y	88.9	Confident	84	Confident	65 Å²	65	42.5 Å²	42.5	26%	0.255	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	119.8	176.5	-73.6	-81.3	0	0	0	110.1	N967 T968 G969 A970 C972 C981	Y965-N967 PolarHBondContact O-N 2.87Å; Y965-N967 VanDerWaalsContact O-N 3.08Å; Y965-T968 WeakPolarHBondContact CB-OG1 3.42Å; Y965-T968 PolarHBondContact O-N 3.49Å; Y965-G969 WeakPolarHBondContact O-CA 3.04Å; Y965-G969 PolarHBondContact O-N 2.96Å; Y965-A970 HydrophobicContact CD2-CB 4.4Å; Y965-A970 WeakPolarHBondContact CD2-O 3.27Å; Y965-A970 PolarHBondContact N-O 3.45Å; Y965-C972 HydrophobicContact CD2-CB 3.86Å; Y965-C972 HydrophobicContact CE2-CB 3.72Å; Y965-C972 HydrophobicContact CG-CB 4.43Å; Y965-C981 VanDerWaalsContact CD1-SG 3.57Å; Y965-C981 WeakPolarHBondContact CE1-SG 3.08Å
966	N	85.6	Confident	83.7	Confident	110 Å²	110	44.8 Å²	44.8	59%	0.588	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.3	-179.6	-167.1	20.6	0	0	0	112.9	F964 S980 V982	F964-N966 PolarHBondContact O-N 2.99Å; N966-S980 PolarHBondContact N-O 2.92Å; N966-V982 HydrophobicContact CB-CG1 4.35Å; N966-V982 HydrophobicContact CB-CG2 4.27Å
967	N	85.9	Confident	83.4	Confident	134 Å²	134	48.9 Å²	48.9	72%	0.717	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-32.4	-175.8	-58.2	-10.3	0	0	0	113.5	Y965	Y965-N967 PolarHBondContact O-N 2.87Å; Y965-N967 VanDerWaalsContact O-N 3.08Å
968	T	84.1	Confident	83.4	Confident	103 Å²	103	51.2 Å²	51.2	63%	0.632	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.2	-14.9	-171.1	58	0	0	0	0	113.5	Y965 A970	Y965-T968 WeakPolarHBondContact CB-OG1 3.42Å; Y965-T968 PolarHBondContact O-N 3.49Å; T968-A970 PolarHBondContact O-N 3.37Å; T968-A970 PolarHBondContact OG1-N 3.45Å
969	G	81.9	Confident	83.5	Confident	33 Å²	33	55 Å²	55	34%	0.34	32%	0.323	S	S	.	.			trans	69.9	3.3	-172.3	0	0	0	0	0	114	Y965	Y965-G969 WeakPolarHBondContact O-CA 3.04Å; Y965-G969 PolarHBondContact O-N 2.96Å
970	A	86	Confident	83.9	Confident	48 Å²	48	56.6 Å²	56.6	40%	0.397	33%	0.334	S	S	.	.			trans	-79.5	150.8	-178.1	0	0	0	0	0	111.8	F964 Y965 T968 C972	F964-A970 CarbonylContact C-O 3.57Å; F964-A970 VanDerWaalsContact CA-O 3.24Å; F964-A970 WeakPolarHBondContact CA-O 3.22Å; F964-A970 WeakPolarHBondContact CB-O 3.39Å; Y965-A970 HydrophobicContact CD2-CB 4.4Å; Y965-A970 WeakPolarHBondContact CD2-O 3.27Å; Y965-A970 PolarHBondContact N-O 3.45Å; T968-A970 PolarHBondContact O-N 3.37Å; T968-A970 PolarHBondContact OG1-N 3.45Å; A970-C972 PolarHBondContact O-N 3.44Å
971	F	88.7	Confident	84.3	Confident	47 Å²	47	55.6 Å²	55.6	21%	0.206	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-57.7	135.4	175.9	179.2	-120	0	0	0	111.8	W954 R963 N973 M1006 D1010	W954-F971 HydrophobicContact CH2-CD2 4.35Å; W954-F971 AromaticContact CH2-CE2 3.9Å; W954-F971 HydrophobicContact CH2-CE2 3.9Å; W954-F971 HydrophobicContact CZ2-CD2 4.32Å; W954-F971 AromaticContact CZ2-CE2 3.46Å; W954-F971 HydrophobicContact CZ2-CE2 3.46Å; W954-F971 VanDerWaalsContact CZ2-CE2 3.46Å; W954-F971 AromaticContact CZ2-CZ 3.84Å; W954-F971 HydrophobicContact CZ2-CZ 3.84Å; R963-F971 VanDerWaalsContact O-CD2 3.29Å; R963-F971 WeakPolarHBondContact O-CD2 3.26Å; F971-N973 HydrophobicContact CE1-CB 4.46Å; F971-M1006 HydrophobicContact CB-CB 4.2Å; F971-M1006 HydrophobicContact CB-CG 4.03Å; F971-M1006 HydrophobicContact CB-SD 3.91Å; F971-M1006 HydrophobicContact CD2-CB 3.91Å; F971-M1006 HydrophobicContact CD2-CG 4.42Å; F971-M1006 HydrophobicContact CD2-SD 4.11Å; F971-M1006 HydrophobicContact CG-CB 4.11Å; F971-M1006 HydrophobicContact CG-CG 4.46Å; F971-M1006 HydrophobicContact CG-SD 4.44Å; F971-D1010 HydrophobicContact CE1-CB 3.98Å; F971-D1010 WeakPolarHBondContact CE1-OD1 3.5Å; F971-D1010 HydrophobicContact CZ-CB 3.88Å; F971-D1010 VanDerWaalsContact CZ-CG 3.46Å; F971-D1010 WeakPolarHBondContact CZ-OD1 3.37Å
972	C	87.7	Confident	84.4	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	34%	0.344	C	S	.	.			trans	-116.4	110.9	177	-178	0	0	0	0	109.5	R963 Y965 A970 C981	R963-C972 HydrophobicContact CB-CB 4.17Å; R963-C972 PolarHBondContact O-N 3.09Å; Y965-C972 HydrophobicContact CD2-CB 3.86Å; Y965-C972 HydrophobicContact CE2-CB 3.72Å; Y965-C972 HydrophobicContact CG-CB 4.43Å; A970-C972 PolarHBondContact O-N 3.44Å; C972-C981 HydrophobicContact CB-CB 3.77Å; C972-C981 WeakPolarHBondContact CB-SG 3.33Å; C972-C981 WeakPolarHBondContact SG-CB 3.33Å; C972-C981 CovalentContact SG-SG 2.04Å; C972-C981 PolarHBondContact SG-SG 2.99Å
973	N	83.3	Confident	84.2	Confident	57 Å²	57	61 Å²	61	31%	0.305	36%	0.364	S	S	.	.			trans	-57.7	139	-179.2	-176.7	-42.1	0	0	0	111.5	F971 S975 V976	F971-N973 HydrophobicContact CE1-CB 4.46Å; N973-S975 PolarHBondContact O-N 3.29Å; N973-S975 WeakPolarHBondContact OD1-CB 3.45Å; N973-S975 PolarHBondContact OD1-N 3.09Å; N973-S975 PolarHBondContact OD1-OG 3.03Å; N973-V976 HydrophobicContact CB-CG2 4.2Å; N973-V976 WeakPolarHBondContact O-CB 3.38Å; N973-V976 PolarHBondContact O-N 2.87Å
974	A	80.8	Confident	84.2	Confident	6 Å²	6	59.4 Å²	59.4	5%	0.05	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-28	179.2	0	0	0	0	0	114.1	V976 K1015 C1016	A974-V976 VanDerWaalsContact C-N 3.3Å; A974-V976 PolarHBondContact O-N 3.34Å; A974-K1015 HydrophobicContact CB-CB 4.32Å; A974-K1015 WeakPolarHBondContact O-CD 3.08Å; A974-C1016 HydrophobicContact CB-CB 3.8Å
975	S	80.7	Confident	84.1	Confident	53 Å²	53	58.9 Å²	58.9	37%	0.371	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-25.1	177.5	-63.8	0	0	0	0	113.5	N973 K1015	N973-S975 PolarHBondContact O-N 3.29Å; N973-S975 WeakPolarHBondContact OD1-CB 3.45Å; N973-S975 PolarHBondContact OD1-N 3.09Å; N973-S975 PolarHBondContact OD1-OG 3.03Å; S975-K1015 PolarHBondContact O-NZ 2.84Å
976	V	84.3	Confident	83.8	Confident	53 Å²	53	59.2 Å²	59.2	32%	0.321	37%	0.367	S	S	.	.			trans	-77.4	125.5	-174.1	-179.9	0	0	0	0	111.6	R963 N973 A974 N978	R963-V976 PolarHBondContact NH1-O 2.81Å; R963-V976 VanDerWaalsContact NH1-O 3.09Å; N973-V976 HydrophobicContact CB-CG2 4.2Å; N973-V976 WeakPolarHBondContact O-CB 3.38Å; N973-V976 PolarHBondContact O-N 2.87Å; A974-V976 VanDerWaalsContact C-N 3.3Å; A974-V976 PolarHBondContact O-N 3.34Å; V976-N978 HydrophobicContact CG1-CB 3.91Å; V976-N978 PolarHBondContact O-N 2.88Å
977	V	77.8	Confident	83.3	Confident	136 Å²	136	56.6 Å²	56.6	82%	0.824	35%	0.352	S	S	*	.			trans	-99.2	79.3	176.3	-169.2	0	0	0	0	108.7
978	N	77.1	Confident	83	Confident	60 Å²	60	52.8 Å²	52.8	32%	0.321	33%	0.333	S	S	.	.			trans	-126.8	133.7	175.9	-169.9	-28.5	0	0	0	110.1	R963 V976 S980 C981	R963-N978 PolarHBondContact NH2-O 2.96Å; V976-N978 HydrophobicContact CG1-CB 3.91Å; V976-N978 PolarHBondContact O-N 2.88Å; N978-S980 PolarHBondContact O-N 2.89Å; N978-S980 WeakPolarHBondContact OD1-CB 3.48Å; N978-S980 PolarHBondContact OD1-N 2.91Å; N978-S980 PolarHBondContact OD1-OG 3.08Å; N978-C981 PolarHBondContact O-N 2.78Å
979	S	76.4	Confident	82.5	Confident	123 Å²	123	53 Å²	53	86%	0.86	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-18.4	178.6	54.1	0	0	0	0	113.6	C981	S979-C981 VanDerWaalsContact C-N 3.27Å; S979-C981 PolarHBondContact O-N 3Å
980	S	83.4	Confident	82.2	Confident	39 Å²	39	54.9 Å²	54.9	27%	0.273	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-7	177.5	-52	0	0	0	0	113.6	N966 N978	N966-S980 PolarHBondContact N-O 2.92Å; N978-S980 PolarHBondContact O-N 2.89Å; N978-S980 WeakPolarHBondContact OD1-CB 3.48Å; N978-S980 PolarHBondContact OD1-N 2.91Å; N978-S980 PolarHBondContact OD1-OG 3.08Å
981	C	86.3	Confident	81.7	Confident	9 Å²	9	52.7 Å²	52.7	6%	0.061	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	112.4	-179.1	-67.1	0	0	0	0	111	R963 F964 Y965 C972 N978 S979	R963-C981 PolarHBondContact NH2-O 2.92Å; F964-C981 WeakPolarHBondContact O-CA 3.29Å; Y965-C981 VanDerWaalsContact CD1-SG 3.57Å; Y965-C981 WeakPolarHBondContact CE1-SG 3.08Å; C972-C981 HydrophobicContact CB-CB 3.77Å; C972-C981 WeakPolarHBondContact CB-SG 3.33Å; C972-C981 WeakPolarHBondContact SG-CB 3.33Å; C972-C981 CovalentContact SG-SG 2.04Å; C972-C981 PolarHBondContact SG-SG 2.99Å; N978-C981 PolarHBondContact O-N 2.78Å; S979-C981 VanDerWaalsContact C-N 3.27Å; S979-C981 PolarHBondContact O-N 3Å
982	V	86.2	Confident	81.1	Confident	53 Å²	53	54.3 Å²	54.3	32%	0.321	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	155.9	-179.8	-64.5	0	0	0	0	110.8	R963 F964 N966	R963-V982 CarbonylContact C-O 3.54Å; R963-V982 WeakPolarHBondContact CA-O 3.42Å; R963-V982 WeakPolarHBondContact CB-O 3.49Å; F964-V982 HydrophobicContact CD1-CG2 4.24Å; F964-V982 HydrophobicContact CD2-CG2 4.35Å; F964-V982 HydrophobicContact CE1-CG2 3.81Å; F964-V982 HydrophobicContact CE2-CG2 3.94Å; F964-V982 HydrophobicContact CG-CG2 4.49Å; F964-V982 HydrophobicContact CZ-CG2 3.66Å; F964-V982 PolarHBondContact N-O 3.45Å; F964-V982 PolarHBondContact O-N 3.36Å; N966-V982 HydrophobicContact CB-CG1 4.35Å; N966-V982 HydrophobicContact CB-CG2 4.27Å
983	S	86.1	Confident	80.9	Confident	62 Å²	62	60.5 Å²	60.5	43%	0.434	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	144.1	175.2	-58	0	0	0	0	111	R985	S983-R985 VanDerWaalsContact C-N 3.35Å; S983-R985 PolarHBondContact O-N 2.86Å
984	C	87.9	Confident	81.1	Confident	13 Å²	13	60.2 Å²	60.2	9%	0.088	36%	0.357	C	S	.	.	S	Bend	trans	-59.4	-43.5	179	-68.5	0	0	0	0	113.3	C962 R963 F1003	C962-C984 VanDerWaalsContact CA-SG 3.52Å; C962-C984 HydrophobicContact CB-CB 3.68Å; C962-C984 WeakPolarHBondContact CB-SG 3.03Å; C962-C984 PolarHBondContact O-N 3.18Å; C962-C984 PolarHBondContact O-SG 2.73Å; C962-C984 WeakPolarHBondContact SG-CB 3.45Å; C962-C984 CovalentContact SG-SG 2.02Å; C962-C984 PolarHBondContact SG-SG 3.28Å; R963-C984 PolarHBondContact N-SG 3.37Å; C984-F1003 HydrophobicContact CB-CD1 3.9Å; C984-F1003 HydrophobicContact CB-CD2 4.43Å; C984-F1003 HydrophobicContact CB-CE1 3.54Å; C984-F1003 HydrophobicContact CB-CE2 4.13Å; C984-F1003 HydrophobicContact CB-CG 4.34Å; C984-F1003 HydrophobicContact CB-CZ 3.68Å; C984-F1003 WeakPolarHBondContact O-CZ 3.48Å
985	R	87.3	Confident	81.5	Confident	33 Å²	33	60.1 Å²	60.1	13%	0.125	36%	0.356	C	S	.	.	S	Bend	trans	-114.8	145.5	-179.8	-67.7	-78.4	-72.2	-178.6	-6.6	110	V955 P957 S983 S990 G991 Q993 D999 F1003	V955-R985 HydrophobicContact CG1-CG 3.72Å; P957-R985 HydrophobicContact CB-CB 4.17Å; P957-R985 WeakPolarHBondContact CB-O 3.48Å; S983-R985 VanDerWaalsContact C-N 3.35Å; S983-R985 PolarHBondContact O-N 2.86Å; R985-S990 PolarHBondContact NH2-O 2.92Å; R985-G991 PolarHBondContact NE-O 3.39Å; R985-Q993 PolarHBondContact NH2-O 3.04Å; R985-D999 IonicContact CZ-OD2 3.2Å; R985-D999 IonicContact NH1-OD2 3.14Å; R985-D999 PolarHBondContact NH1-OD2 3.13Å; R985-F1003 HydrophobicContact CG-CE2 4.19Å
986	P	83.3	Confident	81.9	Confident	72 Å²	72	62.3 Å²	62.3	47%	0.468	36%	0.36	S	S	.	.			trans	-73.1	151.2	178.4	30.5	-34.5	0	0	0	110.9	T988 G991	P986-T988 HydrophobicContact CB-CG2 4.22Å; P986-T988 PolarHBondContact O-N 3.17Å; P986-G991 WeakPolarHBondContact O-CA 3.32Å
987	M	74.5	Confident	82.1	Confident	55 Å²	55	61.6 Å²	61.6	27%	0.271	36%	0.363	S	S	.	.	S	Bend	trans	-79.3	47.6	176.9	-165.8	50.7	167.7	0	0	112.1	E75 P957 Q958	E75-M987 HydrophobicContact CB-CE 3.95Å; E75-M987 HydrophobicContact CG-CE 3.43Å; E75-M987 VanDerWaalsContact CG-CE 3.43Å; P957-M987 HydrophobicContact CB-SD 4.21Å; P957-M987 HydrophobicContact CG-SD 4.14Å; Q958-M987 HydrophobicContact CB-CE 4.43Å; Q958-M987 HydrophobicContact CG-CE 3.48Å; Q958-M987 VanDerWaalsContact CG-CE 3.48Å; Q958-M987 HydrophobicContact CG-SD 3.9Å
988	T	79.4	Confident	82.5	Confident	54 Å²	54	63.5 Å²	63.5	33%	0.331	36%	0.363	S	S	.	.	S	Bend	trans	-106.7	161.9	177.7	59.7	0	0	0	0	110.6	P986 S990 G991 K992	P986-T988 HydrophobicContact CB-CG2 4.22Å; P986-T988 PolarHBondContact O-N 3.17Å; T988-S990 PolarHBondContact O-N 3.21Å; T988-S990 PolarHBondContact OG1-OG 3.09Å; T988-G991 PolarHBondContact O-N 3.15Å; T988-G991 PolarHBondContact OG1-N 3.43Å; T988-K992 WeakPolarHBondContact O-CG 3.34Å; T988-K992 PolarHBondContact O-N 3.38Å
989	P	73.5	Confident	83.1	Confident	107 Å²	107	63.6 Å²	63.6	70%	0.695	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-37.4	173.4	-26.9	35.1	0	0	0	113.3
990	S	75.8	Confident	83.9	Confident	72 Å²	72	57.8 Å²	57.8	50%	0.503	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-36.7	173.5	52.8	0	0	0	0	113.2	R985 T988 K992 Q993	R985-S990 PolarHBondContact NH2-O 2.92Å; T988-S990 PolarHBondContact O-N 3.21Å; T988-S990 PolarHBondContact OG1-OG 3.09Å; S990-K992 VanDerWaalsContact C-N 3.32Å; S990-K992 PolarHBondContact O-N 3.39Å; S990-Q993 WeakPolarHBondContact O-CB 3.5Å; S990-Q993 PolarHBondContact O-N 2.75Å
991	G	76.1	Confident	84.3	Confident	2 Å²	2	57 Å²	57	2%	0.021	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-25.3	177.9	0	0	0	0	0	113.9	R985 P986 T988 Q993	R985-G991 PolarHBondContact NE-O 3.39Å; P986-G991 WeakPolarHBondContact O-CA 3.32Å; T988-G991 PolarHBondContact O-N 3.15Å; T988-G991 PolarHBondContact OG1-N 3.43Å; G991-Q993 VanDerWaalsContact C-N 3.32Å
992	K	76.3	Confident	84.5	Confident	81 Å²	81	61 Å²	61	35%	0.352	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-18.2	172.8	-70.5	-178.1	179	-176.7	0	113.8	D237 P957 T988 S990	D237-K992 IonicContact OD2-NZ 3.76Å; P957-K992 HydrophobicContact CG-CG 4.19Å; T988-K992 WeakPolarHBondContact O-CG 3.34Å; T988-K992 PolarHBondContact O-N 3.38Å; S990-K992 VanDerWaalsContact C-N 3.32Å; S990-K992 PolarHBondContact O-N 3.39Å
993	Q	82.3	Confident	84.8	Confident	131 Å²	131	58.8 Å²	58.8	61%	0.612	32%	0.319	S	S	*	.	S	Bend	trans	-71.7	159.8	172.2	-65.6	176.5	-16.6	0	0	110.5	R985 S990 G991	R985-Q993 PolarHBondContact NH2-O 3.04Å; S990-Q993 WeakPolarHBondContact O-CB 3.5Å; S990-Q993 PolarHBondContact O-N 2.75Å; G991-Q993 VanDerWaalsContact C-N 3.32Å
994	R	86.9	Confident	85.2	Confident	51 Å²	51	55.9 Å²	55.9	19%	0.192	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-58.6	147.7	179.5	-65.1	-177.1	-171.2	163.3	2.1	111	N911 C914 V917 C919 F952 E996	N911-R994 PolarHBondContact OD1-NH1 2.7Å; C914-R994 PolarHBondContact SG-NH1 2.83Å; C914-R994 PolarHBondContact SG-NH2 2.9Å; V917-R994 PolarHBondContact O-NH2 3.5Å; C919-R994 PolarHBondContact SG-NH2 3.39Å; F952-R994 HydrophobicContact CD1-CG 4.43Å; F952-R994 HydrophobicContact CE1-CB 4.35Å; F952-R994 HydrophobicContact CE1-CG 4.5Å; F952-R994 HydrophobicContact CG-CG 4.45Å; R994-E996 PolarHBondContact O-N 3.29Å
995	P	90.3	Very high	85.4	Confident	4 Å²	4	56.7 Å²	56.7	3%	0.026	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-67	132.5	174.8	28.3	-33.4	0	0	0	110.1	Q910 Y951 F952 V955 D999 F1000	Q910-P995 PolarHBondContact NE2-O 3.32Å; Y951-P995 HydrophobicContact CE1-CG 3.88Å; F952-P995 HydrophobicContact CD1-CG 4.16Å; F952-P995 HydrophobicContact CE1-CG 4.25Å; V955-P995 HydrophobicContact CG1-CB 4.48Å; V955-P995 HydrophobicContact CG1-CG 4.23Å; P995-D999 HydrophobicContact CB-CB 4.34Å; P995-F1000 HydrophobicContact CB-CB 4.4Å; P995-F1000 HydrophobicContact CG-CD2 4.22Å
996	E	89.8	Confident	85.6	Confident	99 Å²	99	56.1 Å²	56.1	46%	0.463	30%	0.303	S	S	.	.			trans	-125.1	153.8	179.6	-66.2	-179.5	-171.9	0	0	109.9	R994 E998 D999	R994-E996 PolarHBondContact O-N 3.29Å; E996-E998 PolarHBondContact O-N 3.5Å; E996-D999 PolarHBondContact O-N 2.88Å
997	G	87.4	Confident	86	Confident	38 Å²	38	52.7 Å²	52.7	39%	0.392	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	-129.1	174.7	0	0	0	0	0	113.7	S905 D999 F1000	S905-G997 PolarHBondContact O-N 3.05Å; G997-D999 PolarHBondContact O-N 3.31Å; G997-F1000 WeakPolarHBondContact O-CB 3.36Å; G997-F1000 PolarHBondContact O-N 3.05Å
998	E	87	Confident	86.8	Confident	176 Å²	176	50.9 Å²	50.9	82%	0.822	27%	0.272	S	S	*	.	H	α-helix	trans	-66.1	-34.3	-176.1	-67.8	-171.7	170.7	0	0	113.1	E996 F1000 M1001 H1002	E996-E998 PolarHBondContact O-N 3.5Å; E998-F1000 PolarHBondContact O-N 3.23Å; E998-M1001 PolarHBondContact O-N 3.41Å; E998-H1002 WeakPolarHBondContact O-CB 3.08Å; E998-H1002 PolarHBondContact O-N 2.92Å
999	D	89.5	Confident	87.3	Confident	62 Å²	62	51.3 Å²	51.3	33%	0.332	28%	0.277	S	S	.	.	H	α-helix	trans	-61.1	-36.1	178.6	-76.2	0.1	0	0	0	111.3	R985 P995 E996 G997 H1002 F1003	R985-D999 IonicContact CZ-OD2 3.2Å; R985-D999 IonicContact NH1-OD2 3.14Å; R985-D999 PolarHBondContact NH1-OD2 3.13Å; P995-D999 HydrophobicContact CB-CB 4.34Å; E996-D999 PolarHBondContact O-N 2.88Å; G997-D999 PolarHBondContact O-N 3.31Å; D999-H1002 PolarHBondContact O-N 2.74Å; D999-F1003 HydrophobicContact CB-CE2 4.21Å; D999-F1003 WeakPolarHBondContact O-CD2 3.49Å; D999-F1003 PolarHBondContact O-N 2.99Å
1000	F	93.2	Very high	88	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-49.5	176.7	-177.4	-83.7	0	0	0	111	W947 L948 Y951 F952 P995 G997 E998 L1004 V1037	W947-F1000 HydrophobicContact CH2-CZ 4.14Å; W947-F1000 HydrophobicContact CZ3-CZ 4.14Å; L948-F1000 HydrophobicContact CD1-CE2 3.77Å; L948-F1000 HydrophobicContact CD1-CZ 3.92Å; Y951-F1000 HydrophobicContact CD1-CD2 4.37Å; Y951-F1000 AromaticContact CD1-CE2 3.82Å; Y951-F1000 HydrophobicContact CD1-CE2 3.82Å; Y951-F1000 HydrophobicContact CD1-CZ 4.32Å; Y951-F1000 AromaticContact CE1-CD2 3.58Å; Y951-F1000 HydrophobicContact CE1-CD2 3.58Å; Y951-F1000 AromaticContact CE1-CE2 3.45Å; Y951-F1000 HydrophobicContact CE1-CE2 3.45Å; Y951-F1000 VanDerWaalsContact CE1-CE2 3.45Å; Y951-F1000 HydrophobicContact CE1-CG 4.25Å; Y951-F1000 HydrophobicContact CE1-CZ 4.06Å; Y951-F1000 PolarHBondContact OH-O 3.34Å; F952-F1000 HydrophobicContact CE1-CD2 4.41Å; F952-F1000 HydrophobicContact CE1-CE2 4.06Å; P995-F1000 HydrophobicContact CB-CB 4.4Å; P995-F1000 HydrophobicContact CG-CD2 4.22Å; G997-F1000 WeakPolarHBondContact O-CB 3.36Å; G997-F1000 PolarHBondContact O-N 3.05Å; E998-F1000 PolarHBondContact O-N 3.23Å; F1000-L1004 HydrophobicContact CE1-CD2 3.81Å; F1000-L1004 HydrophobicContact CZ-CD2 4.36Å; F1000-L1004 VanDerWaalsContact O-CB 3.3Å; F1000-L1004 WeakPolarHBondContact O-CB 3.46Å; F1000-L1004 PolarHBondContact O-N 3.2Å; F1000-V1037 HydrophobicContact CE1-CG2 3.93Å
1001	M	92.1	Very high	88.5	Confident	22 Å²	22	44.1 Å²	44.1	11%	0.108	23%	0.227	C	C	.	.	H	α-helix	trans	-76.5	-22.9	-178.5	-69.3	-52.7	-54.9	0	0	113.1	E998 L1004 P1005 L1030 N1034 V1037	E998-M1001 PolarHBondContact O-N 3.41Å; M1001-L1004 HydrophobicContact SD-CD2 4.37Å; M1001-P1005 WeakPolarHBondContact O-CD 3.09Å; M1001-L1030 HydrophobicContact CE-CD2 4.22Å; M1001-N1034 WeakPolarHBondContact CE-O 3.04Å; M1001-V1037 HydrophobicContact CE-CG2 4.42Å; M1001-V1037 HydrophobicContact SD-CG2 3.89Å
1002	H	90.3	Very high	88.6	Confident	93 Å²	93	45.7 Å²	45.7	43%	0.431	24%	0.237	S	C	.	.	H	α-helix	trans	-69.5	-43.2	177.4	-174.1	53.4	0	0	0	112.2	E998 D999	E998-H1002 WeakPolarHBondContact O-CB 3.08Å; E998-H1002 PolarHBondContact O-N 2.92Å; D999-H1002 PolarHBondContact O-N 2.74Å
1003	F	92.2	Very high	88.6	Confident	8 Å²	8	42.4 Å²	42.4	4%	0.035	22%	0.223	C	C	.	.	H	α-helix	trans	-91.9	-20.6	-175.7	-55.4	-53	0	0	0	114.2	Y951 W954 V955 C984 R985 D999 M1006 F1007	Y951-F1003 HydrophobicContact CE2-CB 4.26Å; Y951-F1003 WeakPolarHBondContact OH-CB 3.31Å; W954-F1003 HydrophobicContact CZ3-CB 4.29Å; V955-F1003 HydrophobicContact CG1-CD2 4.23Å; V955-F1003 HydrophobicContact CG2-CB 4.16Å; C984-F1003 HydrophobicContact CB-CD1 3.9Å; C984-F1003 HydrophobicContact CB-CD2 4.43Å; C984-F1003 HydrophobicContact CB-CE1 3.54Å; C984-F1003 HydrophobicContact CB-CE2 4.13Å; C984-F1003 HydrophobicContact CB-CG 4.34Å; C984-F1003 HydrophobicContact CB-CZ 3.68Å; C984-F1003 WeakPolarHBondContact O-CZ 3.48Å; R985-F1003 HydrophobicContact CG-CE2 4.19Å; D999-F1003 HydrophobicContact CB-CE2 4.21Å; D999-F1003 WeakPolarHBondContact O-CD2 3.49Å; D999-F1003 PolarHBondContact O-N 2.99Å; F1003-M1006 HydrophobicContact CD1-SD 4.32Å; F1003-M1006 WeakPolarHBondContact O-CB 3.24Å; F1003-M1006 PolarHBondContact O-N 2.98Å; F1003-M1006 VanDerWaalsContact O-N 3.13Å; F1003-F1007 PolarHBondContact O-N 3.48Å
1004	L	93.4	Very high	88.1	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.3	-46.6	-178.1	178	64.6	0	0	0	113.7	W947 Y951 F1000 M1001 M1006 F1007 L1008 V1028 L1030 V1037	W947-L1004 HydrophobicContact CE3-CD1 4.23Å; W947-L1004 HydrophobicContact CZ3-CD1 3.83Å; W947-L1004 HydrophobicContact CZ3-CD2 4.35Å; Y951-L1004 HydrophobicContact CD2-CD1 4.08Å; Y951-L1004 HydrophobicContact CE2-CB 4.15Å; Y951-L1004 HydrophobicContact CE2-CD1 4.24Å; Y951-L1004 HydrophobicContact CG-CD1 4.23Å; Y951-L1004 PolarHBondContact OH-N 3.22Å; F1000-L1004 HydrophobicContact CE1-CD2 3.81Å; F1000-L1004 HydrophobicContact CZ-CD2 4.36Å; F1000-L1004 VanDerWaalsContact O-CB 3.3Å; F1000-L1004 WeakPolarHBondContact O-CB 3.46Å; F1000-L1004 PolarHBondContact O-N 3.2Å; M1001-L1004 HydrophobicContact SD-CD2 4.37Å; L1004-M1006 PolarHBondContact O-N 3.37Å; L1004-F1007 HydrophobicContact CD1-CD1 4.1Å; L1004-F1007 WeakPolarHBondContact O-CB 3.1Å; L1004-F1007 PolarHBondContact O-N 2.85Å; L1004-L1008 HydrophobicContact CD1-CD1 4.32Å; L1004-L1008 HydrophobicContact CD1-CG 4.25Å; L1004-L1008 HydrophobicContact CG-CD1 4.24Å; L1004-L1008 WeakPolarHBondContact O-CG 3.21Å; L1004-L1008 PolarHBondContact O-N 3.06Å; L1004-V1028 HydrophobicContact CD2-CG1 4.46Å; L1004-L1030 HydrophobicContact CD2-CD2 3.83Å; L1004-L1030 HydrophobicContact CG-CD2 4.46Å; L1004-V1037 HydrophobicContact CD2-CG2 3.53Å
1005	P	92.4	Very high	87.5	Confident	30 Å²	30	42.9 Å²	42.9	20%	0.195	24%	0.235	C	C	.	.	H	α-helix	trans	-62.1	-32.4	175.9	-23	34	0	0	0	112.9	M1001 S1009 L1030 N1034	M1001-P1005 WeakPolarHBondContact O-CD 3.09Å; P1005-S1009 WeakPolarHBondContact O-CB 3.29Å; P1005-S1009 PolarHBondContact O-N 3.44Å; P1005-S1009 VanDerWaalsContact O-N 3.15Å; P1005-S1009 PolarHBondContact O-OG 2.85Å; P1005-L1030 HydrophobicContact CB-CD1 4.44Å; P1005-L1030 HydrophobicContact CG-CD1 4.14Å; P1005-N1034 HydrophobicContact CG-CB 4.33Å
1006	M	92.2	Very high	86.9	Confident	22 Å²	22	42.7 Å²	42.7	11%	0.108	23%	0.234	C	C	.	.	H	α-helix	trans	-66.4	-44	176.6	-56.9	-173.1	-166.7	0	0	110.6	W954 F971 F1003 L1004 S1009 D1010	W954-M1006 HydrophobicContact CH2-CB 3.84Å; F971-M1006 HydrophobicContact CB-CB 4.2Å; F971-M1006 HydrophobicContact CB-CG 4.03Å; F971-M1006 HydrophobicContact CB-SD 3.91Å; F971-M1006 HydrophobicContact CD2-CB 3.91Å; F971-M1006 HydrophobicContact CD2-CG 4.42Å; F971-M1006 HydrophobicContact CD2-SD 4.11Å; F971-M1006 HydrophobicContact CG-CB 4.11Å; F971-M1006 HydrophobicContact CG-CG 4.46Å; F971-M1006 HydrophobicContact CG-SD 4.44Å; F1003-M1006 HydrophobicContact CD1-SD 4.32Å; F1003-M1006 WeakPolarHBondContact O-CB 3.24Å; F1003-M1006 PolarHBondContact O-N 2.98Å; F1003-M1006 VanDerWaalsContact O-N 3.13Å; L1004-M1006 PolarHBondContact O-N 3.37Å; M1006-S1009 PolarHBondContact O-N 3Å; M1006-S1009 PolarHBondContact O-OG 3.3Å; M1006-D1010 PolarHBondContact O-N 2.78Å
1007	F	92.2	Very high	86.1	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-58.7	-47.7	174.6	165.3	-107.8	0	0	0	112.6	D950 Y951 W954 F1003 L1004 S1009 D1010 K1018 G1020 Y1024	D950-F1007 HydrophobicContact CB-CZ 4.27Å; Y951-F1007 HydrophobicContact CD2-CB 3.7Å; Y951-F1007 AromaticContact CD2-CD1 3.84Å; Y951-F1007 HydrophobicContact CD2-CD1 3.84Å; Y951-F1007 HydrophobicContact CD2-CD2 4.31Å; Y951-F1007 AromaticContact CD2-CG 3.7Å; Y951-F1007 HydrophobicContact CD2-CG 3.7Å; Y951-F1007 HydrophobicContact CE2-CB 4.05Å; Y951-F1007 HydrophobicContact CG-CD1 4.37Å; W954-F1007 HydrophobicContact CB-CD2 3.86Å; W954-F1007 HydrophobicContact CB-CE2 4.09Å; W954-F1007 HydrophobicContact CD2-CB 4.09Å; W954-F1007 AromaticContact CD2-CD2 3.8Å; W954-F1007 HydrophobicContact CD2-CD2 3.8Å; W954-F1007 HydrophobicContact CD2-CG 4.42Å; W954-F1007 HydrophobicContact CE3-CB 3.73Å; W954-F1007 HydrophobicContact CE3-CD2 4.13Å; W954-F1007 HydrophobicContact CE3-CG 4.35Å; W954-F1007 AromaticContact CG-CD2 3.65Å; W954-F1007 HydrophobicContact CG-CD2 3.65Å; W954-F1007 HydrophobicContact CG-CE2 4.26Å; W954-F1007 HydrophobicContact CH2-CB 4.15Å; W954-F1007 HydrophobicContact CZ2-CB 4.45Å; W954-F1007 HydrophobicContact CZ3-CB 3.74Å; F1003-F1007 PolarHBondContact O-N 3.48Å; L1004-F1007 HydrophobicContact CD1-CD1 4.1Å; L1004-F1007 WeakPolarHBondContact O-CB 3.1Å; L1004-F1007 PolarHBondContact O-N 2.85Å; F1007-S1009 PolarHBondContact O-N 2.88Å; F1007-D1010 PolarHBondContact O-N 2.79Å; F1007-D1010 VanDerWaalsContact O-N 3.1Å; F1007-K1018 WeakPolarHBondContact CE2-O 3.49Å; F1007-G1020 WeakPolarHBondContact O-CA 3.41Å; F1007-G1020 PolarHBondContact O-N 2.94Å; F1007-G1020 VanDerWaalsContact O-N 3.08Å; F1007-Y1024 HydrophobicContact CE1-CD2 4.14Å; F1007-Y1024 AromaticContact CZ-CD2 3.73Å; F1007-Y1024 HydrophobicContact CZ-CD2 3.73Å; F1007-Y1024 HydrophobicContact CZ-CE2 4.32Å
1008	L	91.4	Very high	85.3	Confident	16 Å²	16	37.9 Å²	37.9	8%	0.084	21%	0.209	C	C	.	.	H	α-helix	trans	-66.9	-18.6	179.5	-63.5	175.5	0	0	0	112.8	L1004 H1021 V1028 L1030	L1004-L1008 HydrophobicContact CD1-CD1 4.32Å; L1004-L1008 HydrophobicContact CD1-CG 4.25Å; L1004-L1008 HydrophobicContact CG-CD1 4.24Å; L1004-L1008 WeakPolarHBondContact O-CG 3.21Å; L1004-L1008 PolarHBondContact O-N 3.06Å; L1008-H1021 WeakPolarHBondContact O-CA 3.46Å; L1008-H1021 WeakPolarHBondContact O-CB 3.44Å; L1008-H1021 PolarHBondContact O-CD2 2.74Å; L1008-V1028 HydrophobicContact CD1-CB 4Å; L1008-V1028 HydrophobicContact CD1-CG1 4.09Å; L1008-V1028 HydrophobicContact CD2-CB 4.25Å; L1008-V1028 HydrophobicContact CD2-CG2 4.16Å; L1008-L1030 HydrophobicContact CD1-CD1 4.05Å; L1008-L1030 HydrophobicContact CD1-CG 4.3Å
1009	S	89.2	Confident	85	Confident	64 Å²	64	30 Å²	30	45%	0.448	18%	0.175	S	C	.	.	H	α-helix	trans	-96	-9.4	174.1	72.3	0	0	0	0	114.3	P1005 M1006 F1007	P1005-S1009 WeakPolarHBondContact O-CB 3.29Å; P1005-S1009 PolarHBondContact O-N 3.44Å; P1005-S1009 VanDerWaalsContact O-N 3.15Å; P1005-S1009 PolarHBondContact O-OG 2.85Å; M1006-S1009 PolarHBondContact O-N 3Å; M1006-S1009 PolarHBondContact O-OG 3.3Å; F1007-S1009 PolarHBondContact O-N 2.88Å
1010	D	88.5	Confident	84.7	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.005	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-81.1	131	-174.5	-169.6	27.5	0	0	0	111.8	W954 F971 M1006 F1007 G1019 G1020 H1021	W954-D1010 HydrophobicContact CZ2-CB 4.18Å; W954-D1010 PolarHBondContact NE1-OD2 3.34Å; F971-D1010 HydrophobicContact CE1-CB 3.98Å; F971-D1010 WeakPolarHBondContact CE1-OD1 3.5Å; F971-D1010 HydrophobicContact CZ-CB 3.88Å; F971-D1010 VanDerWaalsContact CZ-CG 3.46Å; F971-D1010 WeakPolarHBondContact CZ-OD1 3.37Å; M1006-D1010 PolarHBondContact O-N 2.78Å; F1007-D1010 PolarHBondContact O-N 2.79Å; F1007-D1010 VanDerWaalsContact O-N 3.1Å; D1010-G1019 CarbonylContact O-C 3.57Å; D1010-G1019 WeakPolarHBondContact O-CA 3.36Å; D1010-G1020 PolarHBondContact O-N 3.41Å; D1010-H1021 WeakPolarHBondContact O-CB 3.25Å; D1010-H1021 PolarHBondContact O-N 3.03Å; D1010-H1021 VanDerWaalsContact O-N 3.11Å
1011	N	84.9	Confident	84.4	Confident	26 Å²	26	29 Å²	29	14%	0.139	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-91.3	134.4	179.8	-71.2	-31.1	0	0	0	110.4	L479 N1013 H1021	L479-N1011 WeakPolarHBondContact CD2-OD1 3.38Å; N1011-N1013 PolarHBondContact O-N 2.86Å; N1011-N1013 PolarHBondContact O-ND2 3.37Å; N1011-N1013 VanDerWaalsContact O-ND2 3.16Å; N1011-H1021 PolarHBondContact OD1-ND1 2.85Å
1012	P	78.9	Confident	83.9	Confident	35 Å²	35	29.3 Å²	29.3	23%	0.227	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-59.3	134.5	175.3	26.2	-33.6	0	0	0	110.5
1013	N	76.9	Confident	83.6	Confident	13 Å²	13	27.3 Å²	27.3	7%	0.07	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-145.2	164.6	-178.9	63.5	75.6	0	0	0	111.1	L530 N1011 K1015 C1016	L530-N1013 VanDerWaalsContact CD1-C 3.46Å; L530-N1013 WeakPolarHBondContact CD1-O 3.47Å; N1011-N1013 PolarHBondContact O-N 2.86Å; N1011-N1013 PolarHBondContact O-ND2 3.37Å; N1011-N1013 VanDerWaalsContact O-ND2 3.16Å; N1013-K1015 PolarHBondContact O-N 3.14Å; N1013-K1015 WeakPolarHBondContact OD1-CB 3.43Å; N1013-K1015 PolarHBondContact OD1-N 3.19Å; N1013-K1015 VanDerWaalsContact OD1-N 3.08Å; N1013-C1016 PolarHBondContact N-O 2.03Å; N1013-C1016 CarbonylContact O-C 3.51Å; N1013-C1016 PolarHBondContact O-N 3.13Å; N1013-C1016 PolarHBondContact OD1-N 3.18Å
1014	P	71.4	Confident	83.4	Confident	102 Å²	102	27.3 Å²	27.3	66%	0.662	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-20.7	-175.5	-28.1	36.3	0	0	0	115.5	L530	L530-P1014 HydrophobicContact CD1-CB 4.4Å; L530-P1014 HydrophobicContact CD1-CG 4.26Å
1015	K	74.4	Confident	83.2	Confident	89 Å²	89	29.2 Å²	29.2	39%	0.387	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-20.5	175.6	-62.4	-173.7	-172.8	171.3	0	113.1	Q102 Q106 A974 S975 N1013	Q102-K1015 PolarHBondContact NE2-O 3.26Å; Q106-K1015 PolarHBondContact NE2-O 3.34Å; A974-K1015 HydrophobicContact CB-CB 4.32Å; A974-K1015 WeakPolarHBondContact O-CD 3.08Å; S975-K1015 PolarHBondContact O-NZ 2.84Å; N1013-K1015 PolarHBondContact O-N 3.14Å; N1013-K1015 WeakPolarHBondContact OD1-CB 3.43Å; N1013-K1015 PolarHBondContact OD1-N 3.19Å; N1013-K1015 VanDerWaalsContact OD1-N 3.08Å
1016	C	78.3	Confident	83	Confident	0 Å²	0	32 Å²	32	0%	0	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-145.2	101	178.8	-178.9	0	0	0	0	110.5	C961 A974 N1013 K1018	C961-C1016 HydrophobicContact CB-CB 4.02Å; C961-C1016 WeakPolarHBondContact CB-SG 3.1Å; C961-C1016 WeakPolarHBondContact SG-CB 3.29Å; C961-C1016 CovalentContact SG-SG 2.03Å; C961-C1016 PolarHBondContact SG-SG 2.95Å; A974-C1016 HydrophobicContact CB-CB 3.8Å; N1013-C1016 PolarHBondContact N-O 2.03Å; N1013-C1016 CarbonylContact O-C 3.51Å; N1013-C1016 PolarHBondContact O-N 3.13Å; N1013-C1016 PolarHBondContact OD1-N 3.18Å; C1016-K1018 VanDerWaalsContact C-N 3.33Å
1017	G	71.4	Confident	83	Confident	30 Å²	30	31 Å²	31	31%	0.309	20%	0.201	S	C	.	.	S	Bend	trans	-78.9	-12.6	179.8	0	0	0	0	0	114.7
1018	K	72.5	Confident	83.1	Confident	7 Å²	7	31.4 Å²	31.4	3%	0.03	20%	0.204	C	C	.	.			trans	-98.5	28.6	-170.8	-64.3	-169.7	166.9	-176.8	0	114.3	Q106 D953 F1007 C1016	Q106-K1018 VanDerWaalsContact O-CE 3.24Å; Q106-K1018 WeakPolarHBondContact O-CE 3.45Å; Q106-K1018 PolarHBondContact O-NZ 3.32Å; D953-K1018 HydrophobicContact CB-CD 3.7Å; D953-K1018 VanDerWaalsContact CG-NZ 3.26Å; D953-K1018 IonicContact OD2-NZ 3.09Å; D953-K1018 PolarHBondContact OD2-NZ 2.04Å; F1007-K1018 WeakPolarHBondContact CE2-O 3.49Å; C1016-K1018 VanDerWaalsContact C-N 3.33Å
1019	G	79.7	Confident	83.2	Confident	11 Å²	11	33.3 Å²	33.3	11%	0.113	21%	0.214	C	C	.	.			trans	-66	131.9	176	0	0	0	0	0	111.3	D1010	D1010-G1019 CarbonylContact O-C 3.57Å; D1010-G1019 WeakPolarHBondContact O-CA 3.36Å
1020	G	83.6	Confident	83.4	Confident	0 Å²	0	32 Å²	32	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-81.2	-11.6	-172.5	0	0	0	0	0	115.3	F1007 D1010 A1022 Y1024 A1025	F1007-G1020 WeakPolarHBondContact O-CA 3.41Å; F1007-G1020 PolarHBondContact O-N 2.94Å; F1007-G1020 VanDerWaalsContact O-N 3.08Å; D1010-G1020 PolarHBondContact O-N 3.41Å; G1020-A1022 PolarHBondContact O-N 2.98Å; G1020-Y1024 WeakPolarHBondContact O-CA 3.44Å; G1020-Y1024 WeakPolarHBondContact O-CB 2.97Å; G1020-Y1024 PolarHBondContact O-N 3.19Å; G1020-A1025 PolarHBondContact O-N 3.39Å
1021	H	86.6	Confident	83.4	Confident	39 Å²	39	36 Å²	36	18%	0.181	22%	0.218	C	C	.	.	H	α-helix	trans	-64.1	-45.2	-170.2	-171.6	-154.2	0	0	0	113.5	L479 L1008 D1010 N1011 A1023 A1025	L479-H1021 HydrophobicContact CD2-CB 4.44Å; L1008-H1021 WeakPolarHBondContact O-CA 3.46Å; L1008-H1021 WeakPolarHBondContact O-CB 3.44Å; L1008-H1021 PolarHBondContact O-CD2 2.74Å; D1010-H1021 WeakPolarHBondContact O-CB 3.25Å; D1010-H1021 PolarHBondContact O-N 3.03Å; D1010-H1021 VanDerWaalsContact O-N 3.11Å; N1011-H1021 PolarHBondContact OD1-ND1 2.85Å; H1021-A1023 PolarHBondContact O-N 3.02Å; H1021-A1025 WeakPolarHBondContact O-CB 3.06Å
1022	A	82.1	Confident	83.4	Confident	30 Å²	30	39.9 Å²	39.9	25%	0.248	24%	0.244	C	C	.	.	H	α-helix	trans	-67.7	-35.8	-175.8	0	0	0	0	0	114	L479 G1020	L479-A1022 HydrophobicContact CD2-CB 3.77Å; L479-A1022 HydrophobicContact CG-CB 4.33Å; G1020-A1022 PolarHBondContact O-N 2.98Å
1023	A	82.5	Confident	83.5	Confident	50 Å²	50	45.6 Å²	45.6	41%	0.413	27%	0.272	S	S	.	.	H	α-helix	trans	-107.4	-31.1	-169.2	0	0	0	0	0	113.7	H1021	H1021-A1023 PolarHBondContact O-N 3.02Å
1024	Y	89.8	Confident	83.8	Confident	9 Å²	9	48.8 Å²	48.8	4%	0.035	29%	0.29	C	S	.	.	H	α-helix	trans	-123.8	-7.8	-164.9	-53.2	-52.5	0	0	0	114.8	W947 D950 F1007 G1020 T1026 A1027 V1028	W947-Y1024 HydrophobicContact CB-CD1 3.52Å; W947-Y1024 HydrophobicContact CB-CD2 3.98Å; W947-Y1024 HydrophobicContact CB-CE1 4.06Å; W947-Y1024 HydrophobicContact CB-CE2 4.46Å; W947-Y1024 HydrophobicContact CB-CG 3.48Å; W947-Y1024 VanDerWaalsContact CB-CG 3.48Å; D950-Y1024 HydrophobicContact CB-CE2 3.92Å; D950-Y1024 WeakPolarHBondContact OD2-CE2 3.33Å; D950-Y1024 PolarHBondContact OD2-OH 3.16Å; F1007-Y1024 HydrophobicContact CE1-CD2 4.14Å; F1007-Y1024 AromaticContact CZ-CD2 3.73Å; F1007-Y1024 HydrophobicContact CZ-CD2 3.73Å; F1007-Y1024 HydrophobicContact CZ-CE2 4.32Å; G1020-Y1024 WeakPolarHBondContact O-CA 3.44Å; G1020-Y1024 WeakPolarHBondContact O-CB 2.97Å; G1020-Y1024 PolarHBondContact O-N 3.19Å; Y1024-T1026 PolarHBondContact O-N 2.82Å; Y1024-A1027 HydrophobicContact CD1-CB 4.38Å; Y1024-A1027 WeakPolarHBondContact O-CB 3.38Å; Y1024-A1027 PolarHBondContact O-N 3.39Å; Y1024-V1028 PolarHBondContact O-N 3.3Å
1025	A	87.8	Confident	84.3	Confident	39 Å²	39	49 Å²	49	32%	0.322	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-35.3	179.3	0	0	0	0	0	113.2	G1020 H1021	G1020-A1025 PolarHBondContact O-N 3.39Å; H1021-A1025 WeakPolarHBondContact O-CB 3.06Å
1026	T	88.9	Confident	84.9	Confident	89 Å²	89	45.3 Å²	45.3	55%	0.546	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-7.1	173.7	58.7	0	0	0	0	113.2	F406 Y1024 Y1041	F406-T1026 WeakPolarHBondContact CD1-O 3.28Å; Y1024-T1026 PolarHBondContact O-N 2.82Å; T1026-Y1041 VanDerWaalsContact O-CE1 3.3Å; T1026-Y1041 WeakPolarHBondContact O-CE1 3.46Å; T1026-Y1041 PolarHBondContact OG1-OH 3.48Å
1027	A	92.3	Very high	85.6	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.008	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-16	-176.7	0	0	0	0	0	114.1	Y1024 T1040 Y1041	Y1024-A1027 HydrophobicContact CD1-CB 4.38Å; Y1024-A1027 WeakPolarHBondContact O-CB 3.38Å; Y1024-A1027 PolarHBondContact O-N 3.39Å; A1027-T1040 VanDerWaalsContact O-CA 3.24Å; A1027-T1040 WeakPolarHBondContact O-CA 3.5Å; A1027-Y1041 HydrophobicContact CB-CD1 4.3Å; A1027-Y1041 HydrophobicContact CB-CD2 3.93Å; A1027-Y1041 HydrophobicContact CB-CE1 3.9Å; A1027-Y1041 HydrophobicContact CB-CE2 3.43Å; A1027-Y1041 VanDerWaalsContact CB-CE2 3.43Å; A1027-Y1041 HydrophobicContact CB-CG 4.33Å; A1027-Y1041 PolarHBondContact O-N 2.9Å; A1027-Y1041 VanDerWaalsContact O-N 3.1Å
1028	V	94.6	Very high	86.7	Confident	8 Å²	8	44.4 Å²	44.4	5%	0.048	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	109	-176.5	-176.2	0	0	0	0	108.3	W947 L1004 L1008 Y1024 L1030 V1037 T1040	W947-V1028 HydrophobicContact CB-CG2 4.17Å; W947-V1028 HydrophobicContact CD2-CG2 3.43Å; W947-V1028 VanDerWaalsContact CD2-CG2 3.43Å; W947-V1028 HydrophobicContact CE3-CG2 3.81Å; W947-V1028 HydrophobicContact CG-CG2 3.59Å; W947-V1028 HydrophobicContact CZ2-CG2 4.34Å; W947-V1028 HydrophobicContact CZ3-CG2 4.4Å; L1004-V1028 HydrophobicContact CD2-CG1 4.46Å; L1008-V1028 HydrophobicContact CD1-CB 4Å; L1008-V1028 HydrophobicContact CD1-CG1 4.09Å; L1008-V1028 HydrophobicContact CD2-CB 4.25Å; L1008-V1028 HydrophobicContact CD2-CG2 4.16Å; Y1024-V1028 PolarHBondContact O-N 3.3Å; V1028-L1030 HydrophobicContact CG1-CD2 4.06Å; V1028-V1037 HydrophobicContact CG1-CG1 3.87Å; V1028-T1040 HydrophobicContact CB-CG2 4.46Å; V1028-T1040 HydrophobicContact CG1-CG2 4.09Å; V1028-T1040 HydrophobicContact CG2-CG2 4.43Å
1029	D	93.4	Very high	87.8	Confident	56 Å²	56	44 Å²	44	30%	0.299	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	134.4	169.3	-170.3	18.7	0	0	0	109.8	H405 G1038 A1039	H405-D1029 IonicContact CD2-OD2 3.83Å; H405-D1029 PolarHBondContact CD2-OD2 3.42Å; D1029-G1038 PolarHBondContact O-N 2.98Å; D1029-A1039 WeakPolarHBondContact CB-O 3.31Å; D1029-A1039 PolarHBondContact N-O 3.2Å
1030	L	92.4	Very high	88.6	Confident	37 Å²	37	43.5 Å²	43.5	19%	0.194	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.2	179.8	-66.3	-179	0	0	0	109.1	M1001 L1004 P1005 L1008 V1028 V1037	M1001-L1030 HydrophobicContact CE-CD2 4.22Å; L1004-L1030 HydrophobicContact CD2-CD2 3.83Å; L1004-L1030 HydrophobicContact CG-CD2 4.46Å; P1005-L1030 HydrophobicContact CB-CD1 4.44Å; P1005-L1030 HydrophobicContact CG-CD1 4.14Å; L1008-L1030 HydrophobicContact CD1-CD1 4.05Å; L1008-L1030 HydrophobicContact CD1-CG 4.3Å; V1028-L1030 HydrophobicContact CG1-CD2 4.06Å; L1030-V1037 HydrophobicContact CD2-CG2 4.32Å
1031	Y	89.6	Confident	89.2	Confident	86 Å²	86	44.7 Å²	44.7	34%	0.337	26%	0.263	S	S	.	.			trans	-58.6	150	174.4	-72.9	-58.1	0	0	0	111.4	N1033 N1034 G1036 V1037	Y1031-N1033 PolarHBondContact O-N 3.2Å; Y1031-N1034 PolarHBondContact O-N 3.05Å; Y1031-G1036 PolarHBondContact N-O 3.49Å; Y1031-G1036 VanDerWaalsContact N-O 3.07Å; Y1031-V1037 VanDerWaalsContact CE2-O 3.26Å; Y1031-V1037 WeakPolarHBondContact CE2-O 3.12Å
1032	P	84.6	Confident	89.6	Confident	106 Å²	106	42.9 Å²	42.9	69%	0.688	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	129.9	177.6	-25.2	32.8	0	0	0	111.8
1033	N	80.8	Confident	90.1	Very high	155 Å²	155	43.1 Å²	43.1	83%	0.829	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	19.2	-173.2	-49.1	-45	0	0	0	116.2	Y1031 T1035	Y1031-N1033 PolarHBondContact O-N 3.2Å; N1033-T1035 VanDerWaalsContact C-N 3.27Å; N1033-T1035 HydrophobicContact CB-CG2 4.37Å; N1033-T1035 PolarHBondContact O-N 3.16Å
1034	N	82.8	Confident	90.5	Very high	81 Å²	81	40.8 Å²	40.8	43%	0.433	23%	0.231	S	C	.	.	S	Bend	trans	58.2	34.4	175.7	-56.2	-17.9	0	0	0	113.6	M1001 P1005 Y1031 G1036	M1001-N1034 WeakPolarHBondContact CE-O 3.04Å; P1005-N1034 HydrophobicContact CG-CB 4.33Å; Y1031-N1034 PolarHBondContact O-N 3.05Å; N1034-G1036 VanDerWaalsContact C-N 3.3Å; N1034-G1036 PolarHBondContact O-N 3.05Å
1035	T	82.6	Confident	90.6	Very high	106 Å²	106	42.1 Å²	42.1	65%	0.65	24%	0.237	S	C	*	.	S	Bend	trans	-76	-18.1	-178.4	55	0	0	0	0	113.5	N1033	N1033-T1035 VanDerWaalsContact C-N 3.27Å; N1033-T1035 HydrophobicContact CB-CG2 4.37Å; N1033-T1035 PolarHBondContact O-N 3.16Å
1036	G	87.8	Confident	91	Very high	12 Å²	12	40.3 Å²	40.3	12%	0.124	22%	0.221	C	C	.	.	S	Bend	trans	-178.7	177.7	178.8	0	0	0	0	0	111.4	Y1031 N1034	Y1031-G1036 PolarHBondContact N-O 3.49Å; Y1031-G1036 VanDerWaalsContact N-O 3.07Å; N1034-G1036 VanDerWaalsContact C-N 3.3Å; N1034-G1036 PolarHBondContact O-N 3.05Å
1037	V	93.1	Very high	91.1	Very high	10 Å²	10	37.4 Å²	37.4	6%	0.061	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	131	174.4	-177.6	0	0	0	0	109	Y904 W947 F1000 M1001 L1004 V1028 L1030 Y1031 T1040	Y904-V1037 HydrophobicContact CD2-CB 3.68Å; Y904-V1037 HydrophobicContact CD2-CG1 3.72Å; Y904-V1037 HydrophobicContact CD2-CG2 4.3Å; Y904-V1037 HydrophobicContact CE2-CB 4.23Å; Y904-V1037 HydrophobicContact CE2-CG1 3.81Å; Y904-V1037 HydrophobicContact CG-CB 4.41Å; Y904-V1037 HydrophobicContact CG-CG1 4.47Å; W947-V1037 HydrophobicContact CH2-CG1 4.4Å; W947-V1037 HydrophobicContact CZ2-CG1 4.46Å; F1000-V1037 HydrophobicContact CE1-CG2 3.93Å; M1001-V1037 HydrophobicContact CE-CG2 4.42Å; M1001-V1037 HydrophobicContact SD-CG2 3.89Å; L1004-V1037 HydrophobicContact CD2-CG2 3.53Å; V1028-V1037 HydrophobicContact CG1-CG1 3.87Å; L1030-V1037 HydrophobicContact CD2-CG2 4.32Å; Y1031-V1037 VanDerWaalsContact CE2-O 3.26Å; Y1031-V1037 WeakPolarHBondContact CE2-O 3.12Å; V1037-T1040 HydrophobicContact CG1-CG2 3.4Å
1038	G	93.1	Very high	91	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-137.1	172.2	0	0	0	0	0	111.2	D900 D1029	D900-G1038 WeakPolarHBondContact OD1-CA 3.43Å; D1029-G1038 PolarHBondContact O-N 2.98Å
1039	A	95.4	Very high	90.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	141.7	175.6	0	0	0	0	0	111.7	Y401 H405 F406 V898 D900 D1029	Y401-A1039 HydrophobicContact CE1-CB 4.05Å; H405-A1039 HydrophobicContact CB-CB 4.17Å; F406-A1039 HydrophobicContact CE1-CB 4.46Å; F406-A1039 HydrophobicContact CE2-CB 4.31Å; F406-A1039 HydrophobicContact CZ-CB 3.74Å; V898-A1039 WeakPolarHBondContact O-CA 3.42Å; D900-A1039 PolarHBondContact OD1-N 2.89Å; D1029-A1039 WeakPolarHBondContact CB-O 3.31Å; D1029-A1039 PolarHBondContact N-O 3.2Å
1040	T	96.6	Very high	90.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	156.5	172.4	72.3	0	0	0	0	111.6	V897 V898 Y904 W947 A1027 V1028 V1037	V897-T1040 CarbonylContact C-O 3.49Å; V897-T1040 WeakPolarHBondContact CA-O 3.13Å; V898-T1040 PolarHBondContact N-O 2.93Å; V898-T1040 PolarHBondContact O-N 3.21Å; V898-T1040 VanDerWaalsContact O-N 3.17Å; Y904-T1040 HydrophobicContact CE2-CG2 4.22Å; Y904-T1040 PolarHBondContact OH-OG1 3.45Å; W947-T1040 HydrophobicContact CZ2-CG2 3.72Å; A1027-T1040 VanDerWaalsContact O-CA 3.24Å; A1027-T1040 WeakPolarHBondContact O-CA 3.5Å; V1028-T1040 HydrophobicContact CB-CG2 4.46Å; V1028-T1040 HydrophobicContact CG1-CG2 4.09Å; V1028-T1040 HydrophobicContact CG2-CG2 4.43Å; V1037-T1040 HydrophobicContact CG1-CG2 3.4Å
1041	Y	96.1	Very high	90.4	Very high	25 Å²	25	43.4 Å²	43.4	10%	0.098	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	155.6	173.8	69.6	-114.5	0	0	0	113.7	F402 F406 Y895 F896 T1026 A1027 M1043	F402-Y1041 HydrophobicContact CE2-CD1 4.17Å; F406-Y1041 HydrophobicContact CB-CD1 4.49Å; F406-Y1041 HydrophobicContact CB-CE1 4.27Å; F406-Y1041 AromaticContact CD1-CD1 3.72Å; F406-Y1041 HydrophobicContact CD1-CD1 3.72Å; F406-Y1041 AromaticContact CD1-CE1 3.89Å; F406-Y1041 HydrophobicContact CD1-CE1 3.89Å; F406-Y1041 AromaticContact CD2-CD1 3.89Å; F406-Y1041 HydrophobicContact CD2-CD1 3.89Å; F406-Y1041 HydrophobicContact CD2-CE1 4.5Å; F406-Y1041 AromaticContact CE1-CD1 3.79Å; F406-Y1041 HydrophobicContact CE1-CD1 3.79Å; F406-Y1041 HydrophobicContact CE1-CE1 4.34Å; F406-Y1041 AromaticContact CE2-CD1 3.97Å; F406-Y1041 HydrophobicContact CE2-CD1 3.97Å; F406-Y1041 AromaticContact CG-CD1 3.75Å; F406-Y1041 HydrophobicContact CG-CD1 3.75Å; F406-Y1041 AromaticContact CG-CE1 3.96Å; F406-Y1041 HydrophobicContact CG-CE1 3.96Å; F406-Y1041 AromaticContact CZ-CD1 3.91Å; F406-Y1041 HydrophobicContact CZ-CD1 3.91Å; Y895-Y1041 HydrophobicContact CD1-CD1 4.39Å; Y895-Y1041 AromaticContact CD1-CD2 3.56Å; Y895-Y1041 HydrophobicContact CD1-CD2 3.56Å; Y895-Y1041 AromaticContact CD1-CE2 3.8Å; Y895-Y1041 HydrophobicContact CD1-CE2 3.8Å; Y895-Y1041 AromaticContact CD1-CG 3.91Å; Y895-Y1041 HydrophobicContact CD1-CG 3.91Å; Y895-Y1041 HydrophobicContact CE1-CD2 4.15Å; Y895-Y1041 AromaticContact CE1-CE2 3.89Å; Y895-Y1041 HydrophobicContact CE1-CE2 3.89Å; F896-Y1041 CarbonylContact O-C 3.56Å; F896-Y1041 WeakPolarHBondContact O-CA 3.43Å; T1026-Y1041 VanDerWaalsContact O-CE1 3.3Å; T1026-Y1041 WeakPolarHBondContact O-CE1 3.46Å; T1026-Y1041 PolarHBondContact OG1-OH 3.48Å; A1027-Y1041 HydrophobicContact CB-CD1 4.3Å; A1027-Y1041 HydrophobicContact CB-CD2 3.93Å; A1027-Y1041 HydrophobicContact CB-CE1 3.9Å; A1027-Y1041 HydrophobicContact CB-CE2 3.43Å; A1027-Y1041 VanDerWaalsContact CB-CE2 3.43Å; A1027-Y1041 HydrophobicContact CB-CG 4.33Å; A1027-Y1041 PolarHBondContact O-N 2.9Å; A1027-Y1041 VanDerWaalsContact O-N 3.1Å; Y1041-M1043 HydrophobicContact CD2-CB 4.32Å; Y1041-M1043 HydrophobicContact CE2-CB 4.26Å
1042	F	94.9	Very high	90.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	112.6	171.8	-63.4	-95	0	0	0	108.6	F896 V898 V913 L924 V925 P944 S945 W947	F896-F1042 HydrophobicContact CB-CB 4.41Å; F896-F1042 PolarHBondContact N-O 3.42Å; F896-F1042 PolarHBondContact O-N 3.36Å; V898-F1042 HydrophobicContact CG2-CD2 4.26Å; V898-F1042 HydrophobicContact CG2-CE2 3.94Å; V913-F1042 HydrophobicContact CG1-CE1 3.9Å; V913-F1042 HydrophobicContact CG1-CE2 3.89Å; V913-F1042 HydrophobicContact CG1-CZ 3.27Å; L924-F1042 HydrophobicContact CD1-CD2 4.06Å; L924-F1042 HydrophobicContact CD1-CE2 4.27Å; L924-F1042 HydrophobicContact CD2-CB 3.94Å; L924-F1042 HydrophobicContact CD2-CD1 4.02Å; L924-F1042 HydrophobicContact CD2-CD2 3.58Å; L924-F1042 HydrophobicContact CD2-CE2 4.14Å; L924-F1042 HydrophobicContact CD2-CG 3.54Å; V925-F1042 HydrophobicContact CG2-CD1 4.04Å; V925-F1042 HydrophobicContact CG2-CE1 4.13Å; P944-F1042 HydrophobicContact CB-CB 4.46Å; S945-F1042 WeakPolarHBondContact O-CD1 3.24Å; W947-F1042 AromaticContact CD1-CE1 3.97Å; W947-F1042 AromaticContact CD1-CZ 3.87Å; W947-F1042 AromaticContact NE1-CE2 3.98Å; W947-F1042 AromaticContact NE1-CZ 3.46Å
1043	M	92.8	Very high	90.8	Very high	36 Å²	36	37.8 Å²	37.8	18%	0.177	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	132.8	-174	-178.2	-172.8	178.1	0	0	110.9	P893 Y895 S945 Y1041 Y1045	P893-M1043 HydrophobicContact CB-CE 3.59Å; P893-M1043 HydrophobicContact CG-CE 4.42Å; Y895-M1043 HydrophobicContact CD1-CB 3.9Å; Y895-M1043 HydrophobicContact CD1-CG 4.02Å; Y895-M1043 HydrophobicContact CE1-CB 3.85Å; Y895-M1043 HydrophobicContact CE1-CE 4.48Å; Y895-M1043 HydrophobicContact CE1-CG 3.6Å; Y895-M1043 HydrophobicContact CE1-SD 3.78Å; S945-M1043 PolarHBondContact N-O 3.11Å; S945-M1043 PolarHBondContact OG-O 3.01Å; Y1041-M1043 HydrophobicContact CD2-CB 4.32Å; Y1041-M1043 HydrophobicContact CE2-CB 4.26Å; M1043-Y1045 HydrophobicContact CE-CE1 4.06Å; M1043-Y1045 HydrophobicContact CE-CE2 3.97Å; M1043-Y1045 VanDerWaalsContact CE-OH 3.23Å; M1043-Y1045 WeakPolarHBondContact CE-OH 3.24Å
1044	T	92.1	Very high	91.3	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	-173.9	164.5	-172.9	0	0	0	0	109.6	P893 V894 F896 I928 I940 Y942	P893-T1044 CarbonylContact C-O 3.57Å; P893-T1044 WeakPolarHBondContact CA-O 3.31Å; V894-T1044 HydrophobicContact CG1-CG2 3.41Å; V894-T1044 VanDerWaalsContact CG1-CG2 3.41Å; V894-T1044 PolarHBondContact N-O 3.17Å; V894-T1044 PolarHBondContact O-N 3.17Å; F896-T1044 HydrophobicContact CD2-CG2 4.31Å; F896-T1044 HydrophobicContact CE2-CG2 3.87Å; I928-T1044 HydrophobicContact CG2-CG2 4.07Å; I940-T1044 HydrophobicContact CD1-CG2 4.47Å; I940-T1044 HydrophobicContact CG2-CG2 4.01Å; Y942-T1044 PolarHBondContact O-OG1 3.32Å
1045	Y	91.9	Very high	91.8	Very high	37 Å²	37	30.9 Å²	30.9	15%	0.145	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.2	178.2	-63.1	-99.9	0	0	0	111.9	L552 T890 P893 A941 M1043	L552-Y1045 HydrophobicContact CD2-CD1 4.46Å; L552-Y1045 HydrophobicContact CD2-CE1 3.85Å; T890-Y1045 VanDerWaalsContact CG2-CB 3.43Å; T890-Y1045 HydrophobicContact CG2-CD1 3.68Å; T890-Y1045 HydrophobicContact CG2-CG 3.69Å; P893-Y1045 HydrophobicContact CB-CD1 4.02Å; P893-Y1045 HydrophobicContact CB-CE1 3.97Å; A941-Y1045 PolarHBondContact N-O 3.04Å; M1043-Y1045 HydrophobicContact CE-CE1 4.06Å; M1043-Y1045 HydrophobicContact CE-CE2 3.97Å; M1043-Y1045 VanDerWaalsContact CE-OH 3.23Å; M1043-Y1045 WeakPolarHBondContact CE-OH 3.24Å
1046	H	94.8	Very high	92.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	160.5	166.3	-78.7	-66.5	0	0	0	111.6	G891 A892 T939 L1049 Y1084	G891-H1046 PolarHBondContact N-O 3.29Å; A892-H1046 WeakPolarHBondContact O-CB 3.21Å; A892-H1046 PolarHBondContact O-N 3.17Å; T939-H1046 CarbonylContact O-C 3.5Å; T939-H1046 WeakPolarHBondContact O-CA 3.48Å; T939-H1046 PolarHBondContact O-ND1 3.27Å; T939-H1046 PolarHBondContact OG1-ND1 3.23Å; H1046-L1049 HydrophobicContact CB-CD1 4.33Å; H1046-Y1084 AromaticContact NE2-CE1 3.99Å; H1046-Y1084 AromaticContact NE2-CZ 3.87Å; H1046-Y1084 PolarHBondContact NE2-OH 3.03Å
1047	T	92.1	Very high	92.6	Very high	29 Å²	29	29.1 Å²	29.1	18%	0.178	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	166.1	161.6	55.2	0	0	0	0	110.4	G891 T939 A941 L1049	G891-T1047 WeakPolarHBondContact CA-O 3.48Å; G891-T1047 PolarHBondContact N-O 2.93Å; T939-T1047 PolarHBondContact O-N 2.7Å; A941-T1047 HydrophobicContact CB-CG2 3.99Å; T1047-L1049 WeakPolarHBondContact O-CG 3.37Å; T1047-L1049 PolarHBondContact O-N 3.08Å
1048	I	90.4	Very high	92.7	Very high	43 Å²	43	28.6 Å²	28.6	22%	0.221	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-56.8	129.4	171.4	-173.6	60.6	0	0	0	110.4	L888 K1050	L888-I1048 HydrophobicContact CB-CD1 4.1Å; I1048-K1050 HydrophobicContact CG1-CG 4.26Å
1049	L	90.9	Very high	92.8	Very high	12 Å²	12	28.6 Å²	28.6	6%	0.063	15%	0.147	C	C	.	.			trans	-113.3	119.3	178.8	-52.7	176.6	0	0	0	107	H1046 T1047 D1054 F1055 A1058 F1083	H1046-L1049 HydrophobicContact CB-CD1 4.33Å; T1047-L1049 WeakPolarHBondContact O-CG 3.37Å; T1047-L1049 PolarHBondContact O-N 3.08Å; L1049-D1054 HydrophobicContact CB-CB 4.1Å; L1049-D1054 HydrophobicContact CD2-CB 3.98Å; L1049-F1055 HydrophobicContact CB-CD1 3.88Å; L1049-F1055 HydrophobicContact CB-CD2 4.24Å; L1049-F1055 HydrophobicContact CB-CE1 3.61Å; L1049-F1055 HydrophobicContact CB-CE2 3.98Å; L1049-F1055 HydrophobicContact CB-CG 4.19Å; L1049-F1055 HydrophobicContact CB-CZ 3.65Å; L1049-F1055 HydrophobicContact CD1-CD1 3.43Å; L1049-F1055 VanDerWaalsContact CD1-CD1 3.43Å; L1049-F1055 HydrophobicContact CD1-CE1 3.66Å; L1049-F1055 HydrophobicContact CD1-CG 4.2Å; L1049-F1055 HydrophobicContact CG-CD1 4.29Å; L1049-F1055 HydrophobicContact CG-CE1 4.26Å; L1049-A1058 HydrophobicContact CD1-CB 3.97Å; L1049-A1058 HydrophobicContact CD2-CB 3.87Å; L1049-F1083 HydrophobicContact CD1-CE1 3.89Å; L1049-F1083 HydrophobicContact CD1-CE2 4.26Å; L1049-F1083 HydrophobicContact CD1-CZ 3.56Å
1050	K	87.9	Confident	92.8	Very high	97 Å²	97	32.5 Å²	32.5	42%	0.422	16%	0.164	S	C	.	.			trans	-104.5	-49	-170.8	-60.7	-173.2	-176.1	-159	0	111.5	S885 I1048 D1054	S885-K1050 VanDerWaalsContact O-CE 3.29Å; S885-K1050 WeakPolarHBondContact O-CE 3.49Å; S885-K1050 PolarHBondContact O-NZ 3.4Å; I1048-K1050 HydrophobicContact CG1-CG 4.26Å; K1050-D1054 PolarHBondContact N-OD2 2.88Å
1051	D	88.3	Confident	92.7	Very high	75 Å²	75	34.4 Å²	34.4	40%	0.401	17%	0.173	S	C	.	.	S	Bend	trans	-117.5	165.5	-172.8	-58.6	-40.9	0	0	0	111.1	K868 P1053 D1054 F1055	K868-D1051 IonicContact NZ-OD1 3.84Å; D1051-P1053 VanDerWaalsContact C-CD 3.42Å; D1051-P1053 VanDerWaalsContact C-N 3.33Å; D1051-D1054 PolarHBondContact N-OD2 2.95Å; D1051-D1054 VanDerWaalsContact N-OD2 3.15Å; D1051-D1054 WeakPolarHBondContact O-CB 3.31Å; D1051-D1054 PolarHBondContact O-N 3.05Å; D1051-F1055 VanDerWaalsContact O-CD2 3.25Å; D1051-F1055 WeakPolarHBondContact O-CD2 3.5Å; D1051-F1055 PolarHBondContact O-N 3.13Å
1052	S	90.8	Very high	92.6	Very high	8 Å²	8	33.2 Å²	33.2	6%	0.056	17%	0.169	C	C	.	.	H	α-helix	trans	-52.4	-41.3	179.9	-72.4	0	0	0	0	114.5	L865 D866 D1054 F1055 I1056	L865-S1052 VanDerWaalsContact C-OG 3.24Å; L865-S1052 PolarHBondContact N-OG 2.88Å; L865-S1052 PolarHBondContact O-OG 3.22Å; L865-S1052 VanDerWaalsContact O-OG 3.07Å; D866-S1052 PolarHBondContact N-OG 2.95Å; S1052-D1054 VanDerWaalsContact C-N 3.28Å; S1052-D1054 PolarHBondContact O-N 3.36Å; S1052-F1055 PolarHBondContact O-N 2.84Å; S1052-I1056 WeakPolarHBondContact O-CD1 3.5Å; S1052-I1056 VanDerWaalsContact O-CG1 3.25Å; S1052-I1056 WeakPolarHBondContact O-CG1 3.42Å; S1052-I1056 PolarHBondContact O-N 2.86Å; S1052-I1056 VanDerWaalsContact O-N 3.1Å
1053	P	90.9	Very high	92.7	Very high	67 Å²	67	35.3 Å²	35.3	44%	0.435	18%	0.177	S	C	.	.	H	α-helix	trans	-58.5	-37.7	176.3	-26	36.6	0	0	0	113.5	D1051 F1055 I1056 D1057	D1051-P1053 VanDerWaalsContact C-CD 3.42Å; D1051-P1053 VanDerWaalsContact C-N 3.33Å; P1053-F1055 PolarHBondContact O-N 2.81Å; P1053-I1056 PolarHBondContact O-N 3.37Å; P1053-D1057 WeakPolarHBondContact O-CB 3.43Å; P1053-D1057 PolarHBondContact O-N 2.88Å
1054	D	92	Very high	92.8	Very high	60 Å²	60	37.9 Å²	37.9	32%	0.321	19%	0.19	S	C	.	.	H	α-helix	trans	-63.2	-45.2	179.7	-59	-25.8	0	0	0	110.8	L1049 K1050 D1051 S1052 I1056 D1057 A1058	L1049-D1054 HydrophobicContact CB-CB 4.1Å; L1049-D1054 HydrophobicContact CD2-CB 3.98Å; K1050-D1054 PolarHBondContact N-OD2 2.88Å; D1051-D1054 PolarHBondContact N-OD2 2.95Å; D1051-D1054 VanDerWaalsContact N-OD2 3.15Å; D1051-D1054 WeakPolarHBondContact O-CB 3.31Å; D1051-D1054 PolarHBondContact O-N 3.05Å; S1052-D1054 VanDerWaalsContact C-N 3.28Å; S1052-D1054 PolarHBondContact O-N 3.36Å; D1054-I1056 VanDerWaalsContact C-N 3.35Å; D1054-I1056 PolarHBondContact O-N 3.43Å; D1054-D1057 PolarHBondContact O-N 3.14Å; D1054-A1058 WeakPolarHBondContact O-CB 3.32Å; D1054-A1058 PolarHBondContact O-N 3.24Å
1055	F	93.7	Very high	92.9	Very high	30 Å²	30	38.9 Å²	38.9	13%	0.132	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-40.6	176.5	-69.3	-78.8	0	0	0	112.2	L1049 D1051 S1052 P1053 L1059 F1083 Y1087	L1049-F1055 HydrophobicContact CB-CD1 3.88Å; L1049-F1055 HydrophobicContact CB-CD2 4.24Å; L1049-F1055 HydrophobicContact CB-CE1 3.61Å; L1049-F1055 HydrophobicContact CB-CE2 3.98Å; L1049-F1055 HydrophobicContact CB-CG 4.19Å; L1049-F1055 HydrophobicContact CB-CZ 3.65Å; L1049-F1055 HydrophobicContact CD1-CD1 3.43Å; L1049-F1055 VanDerWaalsContact CD1-CD1 3.43Å; L1049-F1055 HydrophobicContact CD1-CE1 3.66Å; L1049-F1055 HydrophobicContact CD1-CG 4.2Å; L1049-F1055 HydrophobicContact CG-CD1 4.29Å; L1049-F1055 HydrophobicContact CG-CE1 4.26Å; D1051-F1055 VanDerWaalsContact O-CD2 3.25Å; D1051-F1055 WeakPolarHBondContact O-CD2 3.5Å; D1051-F1055 PolarHBondContact O-N 3.13Å; S1052-F1055 PolarHBondContact O-N 2.84Å; P1053-F1055 PolarHBondContact O-N 2.81Å; F1055-L1059 WeakPolarHBondContact O-CB 3.41Å; F1055-L1059 PolarHBondContact O-N 3.43Å; F1055-F1083 HydrophobicContact CB-CD2 4.11Å; F1055-F1083 HydrophobicContact CB-CE2 4.04Å; F1055-F1083 HydrophobicContact CD1-CB 4.46Å; F1055-F1083 HydrophobicContact CD1-CD1 4.14Å; F1055-F1083 AromaticContact CD1-CD2 3.58Å; F1055-F1083 HydrophobicContact CD1-CD2 3.58Å; F1055-F1083 HydrophobicContact CD1-CE1 4.25Å; F1055-F1083 AromaticContact CD1-CE2 3.7Å; F1055-F1083 HydrophobicContact CD1-CE2 3.7Å; F1055-F1083 AromaticContact CD1-CG 3.81Å; F1055-F1083 HydrophobicContact CD1-CG 3.81Å; F1055-F1083 HydrophobicContact CD1-CZ 4.02Å; F1055-F1083 HydrophobicContact CE1-CD1 4.37Å; F1055-F1083 HydrophobicContact CE1-CG 4.31Å; F1055-F1083 HydrophobicContact CG-CD2 4.29Å; F1055-F1083 HydrophobicContact CG-CE2 4.37Å; F1055-Y1087 HydrophobicContact CB-CD1 3.7Å; F1055-Y1087 HydrophobicContact CB-CD2 3.98Å; F1055-Y1087 HydrophobicContact CB-CE1 3.76Å; F1055-Y1087 HydrophobicContact CB-CE2 4.02Å; F1055-Y1087 HydrophobicContact CB-CG 3.82Å; F1055-Y1087 HydrophobicContact CD1-CE2 4.3Å; F1055-Y1087 HydrophobicContact CD2-CE1 4.21Å; F1055-Y1087 HydrophobicContact CD2-CE2 4.32Å; F1055-Y1087 AromaticContact CD2-CZ 3.85Å; F1055-Y1087 HydrophobicContact CG-CD2 4.36Å; F1055-Y1087 HydrophobicContact CG-CE1 4.2Å; F1055-Y1087 AromaticContact CG-CE2 3.97Å; F1055-Y1087 HydrophobicContact CG-CE2 3.97Å; F1055-Y1087 AromaticContact CG-CZ 3.89Å
1056	I	94.1	Very high	93.1	Very high	11 Å²	11	37.2 Å²	37.2	6%	0.056	19%	0.189	C	C	.	.	H	α-helix	trans	-65.8	-45.1	178.7	-65.5	165.5	0	0	0	110.2	S1052 P1053 D1054 L1059 K1060 Y1087 Y1090 L1091	S1052-I1056 WeakPolarHBondContact O-CD1 3.5Å; S1052-I1056 VanDerWaalsContact O-CG1 3.25Å; S1052-I1056 WeakPolarHBondContact O-CG1 3.42Å; S1052-I1056 PolarHBondContact O-N 2.86Å; S1052-I1056 VanDerWaalsContact O-N 3.1Å; P1053-I1056 PolarHBondContact O-N 3.37Å; D1054-I1056 VanDerWaalsContact C-N 3.35Å; D1054-I1056 PolarHBondContact O-N 3.43Å; I1056-L1059 PolarHBondContact O-N 3.03Å; I1056-K1060 HydrophobicContact CG2-CD 4.44Å; I1056-K1060 VanDerWaalsContact CG2-CE 3.49Å; I1056-K1060 WeakPolarHBondContact O-CG 3.35Å; I1056-K1060 PolarHBondContact O-N 3.11Å; I1056-Y1087 HydrophobicContact CG1-CD1 3.97Å; I1056-Y1090 HydrophobicContact CD1-CD2 4.17Å; I1056-Y1090 HydrophobicContact CD1-CG 4Å; I1056-Y1090 HydrophobicContact CG1-CD2 4.29Å; I1056-Y1090 HydrophobicContact CG1-CG 4.45Å; I1056-L1091 HydrophobicContact CG2-CD2 3.96Å
1057	D	92.6	Very high	93.2	Very high	70 Å²	70	43.4 Å²	43.4	37%	0.374	22%	0.216	S	C	.	.	H	α-helix	trans	-72.6	-34.6	-178.7	-73.6	-14	0	0	0	111.8	P1053 D1054 L1059 K1060 M1061	P1053-D1057 WeakPolarHBondContact O-CB 3.43Å; P1053-D1057 PolarHBondContact O-N 2.88Å; D1054-D1057 PolarHBondContact O-N 3.14Å; D1057-L1059 PolarHBondContact O-N 3.05Å; D1057-K1060 PolarHBondContact O-N 2.99Å; D1057-K1060 IonicContact OD1-NZ 3.79Å; D1057-K1060 PolarHBondContact OD1-NZ 3.34Å; D1057-M1061 WeakPolarHBondContact O-CB 3.35Å; D1057-M1061 WeakPolarHBondContact O-CG 3.42Å; D1057-M1061 PolarHBondContact O-N 3.35Å
1058	A	95.1	Very high	93.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60	-45.2	171.1	0	0	0	0	0	112.3	T939 L1049 D1054 M1061 A1062 F1083	T939-A1058 HydrophobicContact CG2-CB 4.24Å; T939-A1058 VanDerWaalsContact OG1-CA 3.22Å; T939-A1058 WeakPolarHBondContact OG1-CA 3.05Å; T939-A1058 WeakPolarHBondContact OG1-CB 3.3Å; L1049-A1058 HydrophobicContact CD1-CB 3.97Å; L1049-A1058 HydrophobicContact CD2-CB 3.87Å; D1054-A1058 WeakPolarHBondContact O-CB 3.32Å; D1054-A1058 PolarHBondContact O-N 3.24Å; A1058-M1061 PolarHBondContact O-N 2.68Å; A1058-A1062 VanDerWaalsContact O-CB 3.26Å; A1058-A1062 WeakPolarHBondContact O-CB 3.13Å; A1058-A1062 PolarHBondContact O-N 3.24Å; A1058-F1083 HydrophobicContact CB-CZ 4.33Å
1059	L	95.8	Very high	93.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.1	-45.9	173.7	171.6	63.3	0	0	0	111.8	F1055 I1056 D1057 R1063 Y1084 E1088 L1091	F1055-L1059 WeakPolarHBondContact O-CB 3.41Å; F1055-L1059 PolarHBondContact O-N 3.43Å; I1056-L1059 PolarHBondContact O-N 3.03Å; D1057-L1059 PolarHBondContact O-N 3.05Å; L1059-R1063 HydrophobicContact CD1-CG 4.18Å; L1059-R1063 WeakPolarHBondContact O-CB 3.37Å; L1059-R1063 WeakPolarHBondContact O-CG 3.49Å; L1059-R1063 PolarHBondContact O-N 2.88Å; L1059-Y1084 HydrophobicContact CB-CD1 4.21Å; L1059-Y1084 HydrophobicContact CB-CE1 4.17Å; L1059-Y1084 HydrophobicContact CD1-CD1 3.66Å; L1059-Y1084 HydrophobicContact CD1-CD2 3.58Å; L1059-Y1084 HydrophobicContact CD1-CE1 3.96Å; L1059-Y1084 HydrophobicContact CD1-CE2 3.89Å; L1059-Y1084 HydrophobicContact CD1-CG 3.47Å; L1059-Y1084 VanDerWaalsContact CD1-CG 3.47Å; L1059-Y1084 HydrophobicContact CG-CD1 4.45Å; L1059-E1088 HydrophobicContact CD2-CB 4.19Å; L1059-L1091 HydrophobicContact CD2-CD1 3.85Å; L1059-L1091 HydrophobicContact CD2-CG 4.28Å; L1059-L1091 HydrophobicContact CG-CD1 4.29Å
1060	K	94.8	Very high	93.7	Very high	81 Å²	81	44.2 Å²	44.2	35%	0.352	22%	0.222	S	C	.	.	H	α-helix	trans	-60.1	-49	178.3	-73.3	174.9	-163.3	148.8	0	111.3	I1056 D1057 R1063 I1064 L1091	I1056-K1060 HydrophobicContact CG2-CD 4.44Å; I1056-K1060 VanDerWaalsContact CG2-CE 3.49Å; I1056-K1060 WeakPolarHBondContact O-CG 3.35Å; I1056-K1060 PolarHBondContact O-N 3.11Å; D1057-K1060 PolarHBondContact O-N 2.99Å; D1057-K1060 IonicContact OD1-NZ 3.79Å; D1057-K1060 PolarHBondContact OD1-NZ 3.34Å; K1060-R1063 PolarHBondContact O-N 2.88Å; K1060-I1064 VanDerWaalsContact O-CG1 3.28Å; K1060-I1064 WeakPolarHBondContact O-CG1 3.48Å; K1060-I1064 PolarHBondContact O-N 3.16Å; K1060-L1091 HydrophobicContact CD-CD2 4.01Å; K1060-L1091 VanDerWaalsContact CE-CD2 3.46Å; K1060-L1091 HydrophobicContact CG-CD2 3.39Å
1061	M	94.2	Very high	94.1	Very high	41 Å²	41	46 Å²	46	20%	0.202	23%	0.231	C	C	.	.	H	α-helix	trans	-67.8	-40.4	-176.6	-68.9	-57.5	164.2	0	0	111.7	Y937 T938 D1057 A1058 R1063 I1064 L1065	Y937-M1061 HydrophobicContact CE1-CE 4.47Å; Y937-M1061 HydrophobicContact CE1-SD 4.27Å; Y937-M1061 HydrophobicContact CE2-CE 4.27Å; T938-M1061 WeakPolarHBondContact O-CB 3.24Å; D1057-M1061 WeakPolarHBondContact O-CB 3.35Å; D1057-M1061 WeakPolarHBondContact O-CG 3.42Å; D1057-M1061 PolarHBondContact O-N 3.35Å; A1058-M1061 PolarHBondContact O-N 2.68Å; M1061-R1063 PolarHBondContact O-N 3.09Å; M1061-I1064 PolarHBondContact O-N 3.21Å; M1061-I1064 HydrophobicContact SD-CD1 4.18Å; M1061-L1065 WeakPolarHBondContact O-CB 3.2Å; M1061-L1065 PolarHBondContact O-N 2.98Å
1062	A	95.8	Very high	94.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.8	-41.3	173.9	0	0	0	0	0	112.4	A1058 L1065 A1066 A1079 Y1084	A1058-A1062 VanDerWaalsContact O-CB 3.26Å; A1058-A1062 WeakPolarHBondContact O-CB 3.13Å; A1058-A1062 PolarHBondContact O-N 3.24Å; A1062-L1065 PolarHBondContact O-N 3.15Å; A1062-A1066 WeakPolarHBondContact O-CB 3.49Å; A1062-A1066 PolarHBondContact O-N 3.33Å; A1062-A1079 HydrophobicContact CB-CB 3.92Å; A1062-Y1084 HydrophobicContact CB-CE2 4.45Å; A1062-Y1084 WeakPolarHBondContact CB-OH 3.49Å
1063	R	95.7	Very high	94.3	Very high	44 Å²	44	44.7 Å²	44.7	17%	0.166	23%	0.227	C	C	.	.	H	α-helix	trans	-66.1	-40.5	174.8	-77.5	-175.4	168.5	-173.2	-2.5	113	E398 L1059 K1060 M1061 L1065 A1066 K1067 E1088	E398-R1063 IonicContact OE2-NH2 3.38Å; E398-R1063 PolarHBondContact OE2-NH2 3.14Å; L1059-R1063 HydrophobicContact CD1-CG 4.18Å; L1059-R1063 WeakPolarHBondContact O-CB 3.37Å; L1059-R1063 WeakPolarHBondContact O-CG 3.49Å; L1059-R1063 PolarHBondContact O-N 2.88Å; K1060-R1063 PolarHBondContact O-N 2.88Å; M1061-R1063 PolarHBondContact O-N 3.09Å; R1063-L1065 VanDerWaalsContact C-N 3.34Å; R1063-A1066 PolarHBondContact O-N 3.25Å; R1063-K1067 VanDerWaalsContact O-CB 3.31Å; R1063-K1067 WeakPolarHBondContact O-CB 3.46Å; R1063-K1067 PolarHBondContact O-N 3.23Å; R1063-E1088 IonicContact CZ-OE1 2.72Å; R1063-E1088 VanDerWaalsContact CZ-OE1 3.25Å; R1063-E1088 IonicContact NH1-OE1 3.99Å; R1063-E1088 PolarHBondContact NH1-OE1 2.86Å; R1063-E1088 IonicContact NH2-OE1 3.75Å; R1063-E1088 PolarHBondContact NH2-OE1 2.95Å; R1063-E1088 IonicContact NH2-OE2 3.21Å
1064	I	94.5	Very high	94.3	Very high	90 Å²	90	49 Å²	49	46%	0.462	25%	0.246	S	C	.	.	H	α-helix	trans	-62.4	-45	175.2	-70.6	165.1	0	0	0	110	K1060 M1061 K1067 N1068	K1060-I1064 VanDerWaalsContact O-CG1 3.28Å; K1060-I1064 WeakPolarHBondContact O-CG1 3.48Å; K1060-I1064 PolarHBondContact O-N 3.16Å; M1061-I1064 PolarHBondContact O-N 3.21Å; M1061-I1064 HydrophobicContact SD-CD1 4.18Å; I1064-K1067 PolarHBondContact O-N 3.42Å; I1064-N1068 PolarHBondContact O-N 3.47Å
1065	L	94.8	Very high	94.3	Very high	21 Å²	21	48 Å²	48	11%	0.11	24%	0.24	C	C	.	.	H	α-helix	trans	-62.4	-49.1	177.2	-178.4	57.2	0	0	0	111.4	F896 Q927 I928 A931 I940 M1061 A1062 R1063 K1067 N1068 I1069	F896-L1065 HydrophobicContact CE1-CB 4.45Å; F896-L1065 HydrophobicContact CE1-CD2 4.03Å; F896-L1065 HydrophobicContact CE1-CG 4.12Å; F896-L1065 HydrophobicContact CZ-CD2 3.74Å; F896-L1065 HydrophobicContact CZ-CG 4.35Å; Q927-L1065 HydrophobicContact CB-CD1 4.22Å; I928-L1065 HydrophobicContact CG1-CD2 4.3Å; A931-L1065 HydrophobicContact CB-CD1 4.44Å; A931-L1065 HydrophobicContact CB-CD2 3.76Å; I940-L1065 HydrophobicContact CG1-CD2 4.41Å; M1061-L1065 WeakPolarHBondContact O-CB 3.2Å; M1061-L1065 PolarHBondContact O-N 2.98Å; A1062-L1065 PolarHBondContact O-N 3.15Å; R1063-L1065 VanDerWaalsContact C-N 3.34Å; L1065-K1067 VanDerWaalsContact C-N 3.29Å; L1065-K1067 PolarHBondContact O-N 3.48Å; L1065-N1068 PolarHBondContact O-N 3.34Å; L1065-N1068 VanDerWaalsContact O-N 3.17Å; L1065-I1069 HydrophobicContact CD1-CD1 4.04Å; L1065-I1069 HydrophobicContact CD1-CG1 4.34Å; L1065-I1069 HydrophobicContact CG-CD1 3.89Å; L1065-I1069 VanDerWaalsContact O-CG1 3.28Å; L1065-I1069 WeakPolarHBondContact O-CG1 3.41Å; L1065-I1069 PolarHBondContact O-N 2.9Å
1066	A	96	Very high	94.4	Very high	3 Å²	3	52.2 Å²	52.2	3%	0.025	26%	0.258	C	S	.	.	H	α-helix	trans	-60.3	-37.2	177.4	0	0	0	0	0	112.5	F896 A1062 R1063 I1069 S1070 A1079	F896-A1066 HydrophobicContact CD1-CB 4.39Å; F896-A1066 HydrophobicContact CE1-CB 4.37Å; A1062-A1066 WeakPolarHBondContact O-CB 3.49Å; A1062-A1066 PolarHBondContact O-N 3.33Å; R1063-A1066 PolarHBondContact O-N 3.25Å; A1066-I1069 PolarHBondContact O-N 2.99Å; A1066-S1070 WeakPolarHBondContact O-CB 3.32Å; A1066-S1070 PolarHBondContact O-N 3.03Å; A1066-S1070 PolarHBondContact O-OG 3.18Å; A1066-A1079 HydrophobicContact CB-CB 4.38Å
1067	K	96.1	Very high	94.5	Very high	130 Å²	130	52 Å²	52	57%	0.565	26%	0.257	S	S	*	.	H	α-helix	trans	-66.4	-42.7	174.7	-174.4	178.6	-179.8	179.6	0	112.4	R1063 I1064 L1065 I1069 S1070 Q1071	R1063-K1067 VanDerWaalsContact O-CB 3.31Å; R1063-K1067 WeakPolarHBondContact O-CB 3.46Å; R1063-K1067 PolarHBondContact O-N 3.23Å; I1064-K1067 PolarHBondContact O-N 3.42Å; L1065-K1067 VanDerWaalsContact C-N 3.29Å; L1065-K1067 PolarHBondContact O-N 3.48Å; K1067-I1069 VanDerWaalsContact C-N 3.35Å; K1067-S1070 PolarHBondContact O-N 2.92Å; K1067-Q1071 WeakPolarHBondContact O-CG 3.18Å; K1067-Q1071 PolarHBondContact O-N 3.44Å
1068	N	94.9	Very high	94.7	Very high	76 Å²	76	49 Å²	49	41%	0.406	24%	0.241	S	C	.	.	H	α-helix	trans	-63.4	-43.1	175.9	-74	-7.5	0	0	0	111.3	I1064 L1065 Q1071 S1072	I1064-N1068 PolarHBondContact O-N 3.47Å; L1065-N1068 PolarHBondContact O-N 3.34Å; L1065-N1068 VanDerWaalsContact O-N 3.17Å; N1068-Q1071 PolarHBondContact O-N 3.04Å; N1068-S1072 PolarHBondContact O-N 2.95Å; N1068-S1072 PolarHBondContact O-OG 2.92Å
1069	I	95.2	Very high	94.8	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.1	-47.8	174.7	-67.3	166	0	0	0	110.1	F896 L924 Q927 I928 L1065 A1066 K1067 Q1071 S1072 M1073 V1077	F896-I1069 HydrophobicContact CD1-CD1 4.32Å; L924-I1069 HydrophobicContact CB-CG2 3.95Å; L924-I1069 HydrophobicContact CD1-CG2 3.9Å; L924-I1069 HydrophobicContact CG-CD1 4.44Å; L924-I1069 HydrophobicContact CG-CG2 3.85Å; Q927-I1069 HydrophobicContact CB-CD1 4.34Å; Q927-I1069 HydrophobicContact CB-CG1 3.97Å; Q927-I1069 HydrophobicContact CG-CG1 4.45Å; I928-I1069 HydrophobicContact CD1-CD1 4.41Å; I928-I1069 HydrophobicContact CG1-CD1 3.94Å; L1065-I1069 HydrophobicContact CD1-CD1 4.04Å; L1065-I1069 HydrophobicContact CD1-CG1 4.34Å; L1065-I1069 HydrophobicContact CG-CD1 3.89Å; L1065-I1069 VanDerWaalsContact O-CG1 3.28Å; L1065-I1069 WeakPolarHBondContact O-CG1 3.41Å; L1065-I1069 PolarHBondContact O-N 2.9Å; A1066-I1069 PolarHBondContact O-N 2.99Å; K1067-I1069 VanDerWaalsContact C-N 3.35Å; I1069-Q1071 VanDerWaalsContact C-N 3.29Å; I1069-Q1071 PolarHBondContact O-N 3.34Å; I1069-S1072 WeakPolarHBondContact CA-OG 3.45Å; I1069-S1072 PolarHBondContact O-N 3.09Å; I1069-S1072 VanDerWaalsContact O-N 3.09Å; I1069-S1072 PolarHBondContact O-OG 2.82Å; I1069-M1073 HydrophobicContact CG2-CG 4.25Å; I1069-M1073 HydrophobicContact CG2-SD 3.54Å; I1069-M1073 VanDerWaalsContact CG2-SD 3.54Å; I1069-M1073 WeakPolarHBondContact O-CG 3.43Å; I1069-M1073 PolarHBondContact O-N 3.24Å; I1069-V1077 HydrophobicContact CG2-CB 4.22Å; I1069-V1077 HydrophobicContact CG2-CG1 4.19Å; I1069-V1077 HydrophobicContact CG2-CG2 3.99Å
1070	S	95.4	Very high	94.9	Very high	24 Å²	24	49.3 Å²	49.3	17%	0.168	24%	0.242	C	C	.	.	H	α-helix	trans	-57.8	-42.9	178.8	-59.1	0	0	0	0	112.4	A1066 K1067 M1073 D1074 H1075 V1077	A1066-S1070 WeakPolarHBondContact O-CB 3.32Å; A1066-S1070 PolarHBondContact O-N 3.03Å; A1066-S1070 PolarHBondContact O-OG 3.18Å; K1067-S1070 PolarHBondContact O-N 2.92Å; S1070-M1073 PolarHBondContact O-N 3.43Å; S1070-D1074 PolarHBondContact O-N 2.92Å; S1070-H1075 WeakPolarHBondContact CA-O 3.39Å; S1070-H1075 VanDerWaalsContact CB-O 3.27Å; S1070-H1075 WeakPolarHBondContact CB-O 3.37Å; S1070-H1075 PolarHBondContact O-N 3.06Å; S1070-V1077 PolarHBondContact OG-N 2.99Å; S1070-V1077 PolarHBondContact OG-O 2.95Å
1071	Q	94.8	Very high	94.9	Very high	134 Å²	134	45.6 Å²	45.6	63%	0.626	23%	0.226	S	C	*	.	H	α-helix	trans	-66.6	-35.4	177.7	-72.9	177.4	-5.7	0	0	112.8	K1067 N1068 I1069	K1067-Q1071 WeakPolarHBondContact O-CG 3.18Å; K1067-Q1071 PolarHBondContact O-N 3.44Å; N1068-Q1071 PolarHBondContact O-N 3.04Å; I1069-Q1071 VanDerWaalsContact C-N 3.29Å; I1069-Q1071 PolarHBondContact O-N 3.34Å
1072	S	91.9	Very high	94.8	Very high	41 Å²	41	46.2 Å²	46.2	29%	0.287	23%	0.233	S	C	.	.	H	α-helix	trans	-75.1	-31.5	177.2	55.1	0	0	0	0	114.1	N922 Q927 N1068 I1069	N922-S1072 PolarHBondContact O-OG 3.32Å; Q927-S1072 PolarHBondContact NE2-OG 2.95Å; N1068-S1072 PolarHBondContact O-N 2.95Å; N1068-S1072 PolarHBondContact O-OG 2.92Å; I1069-S1072 WeakPolarHBondContact CA-OG 3.45Å; I1069-S1072 PolarHBondContact O-N 3.09Å; I1069-S1072 VanDerWaalsContact O-N 3.09Å; I1069-S1072 PolarHBondContact O-OG 2.82Å
1073	M	91.8	Very high	94.7	Very high	16 Å²	16	46.8 Å²	46.8	8%	0.079	24%	0.235	C	C	.	.	H	α-helix	trans	-88.6	-14.4	-178.6	-69.3	179.9	58.9	0	0	113.3	V898 V913 L924 I1069 S1070 H1075 V1077	V898-M1073 HydrophobicContact CG1-CE 4.28Å; V913-M1073 HydrophobicContact CG2-CE 3.5Å; V913-M1073 VanDerWaalsContact CG2-CE 3.5Å; L924-M1073 HydrophobicContact CB-SD 3.82Å; L924-M1073 HydrophobicContact CD1-SD 3.85Å; L924-M1073 HydrophobicContact CG-SD 4.41Å; I1069-M1073 HydrophobicContact CG2-CG 4.25Å; I1069-M1073 HydrophobicContact CG2-SD 3.54Å; I1069-M1073 VanDerWaalsContact CG2-SD 3.54Å; I1069-M1073 WeakPolarHBondContact O-CG 3.43Å; I1069-M1073 PolarHBondContact O-N 3.24Å; S1070-M1073 PolarHBondContact O-N 3.43Å; M1073-H1075 HydrophobicContact CB-CB 4.4Å; M1073-H1075 PolarHBondContact O-N 3.1Å; M1073-V1077 HydrophobicContact CE-CG2 4.49Å; M1073-V1077 HydrophobicContact SD-CG2 4.01Å
1074	D	91	Very high	94.7	Very high	158 Å²	158	44.8 Å²	44.8	85%	0.845	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	31.9	-167.4	-160.3	34.3	0	0	0	112.8	S1070	S1070-D1074 PolarHBondContact O-N 2.92Å
1075	H	93.3	Very high	94.6	Very high	39 Å²	39	40.8 Å²	40.8	18%	0.181	21%	0.207	C	C	.	.	S	Bend	trans	-145	151.1	-179.5	-164.8	68.6	0	0	0	110.7	E899 D900 S1070 M1073 V1077	E899-H1075 PolarHBondContact O-NE2 3.2Å; D900-H1075 PolarHBondContact O-CE1 3.07Å; D900-H1075 PolarHBondContact O-NE2 3.38Å; S1070-H1075 WeakPolarHBondContact CA-O 3.39Å; S1070-H1075 VanDerWaalsContact CB-O 3.27Å; S1070-H1075 WeakPolarHBondContact CB-O 3.37Å; S1070-H1075 PolarHBondContact O-N 3.06Å; M1073-H1075 HydrophobicContact CB-CB 4.4Å; M1073-H1075 PolarHBondContact O-N 3.1Å; H1075-V1077 PolarHBondContact O-N 3.08Å
1076	K	94.8	Very high	94.4	Very high	117 Å²	117	42.4 Å²	42.4	51%	0.509	21%	0.213	S	C	.	.			trans	-78.2	124.8	-174.5	-175.1	161.7	165.3	-119.6	0	111.4	E899	E899-K1076 HydrophobicContact CG-CG 4.47Å; E899-K1076 PolarHBondContact N-O 2.87Å; E899-K1076 WeakPolarHBondContact OE1-CE 3.4Å; E899-K1076 IonicContact OE1-NZ 2.69Å; E899-K1076 PolarHBondContact OE1-NZ 3.49Å; E899-K1076 WeakPolarHBondContact OE2-CB 3.38Å; E899-K1076 VanDerWaalsContact OE2-CD 3.24Å; E899-K1076 WeakPolarHBondContact OE2-CD 3.31Å; E899-K1076 WeakPolarHBondContact OE2-CG 3.34Å; E899-K1076 IonicContact OE2-NZ 3.21Å; E899-K1076 PolarHBondContact OE2-NZ 2.74Å
1077	V	96.8	Very high	94.3	Very high	8 Å²	8	42.7 Å²	42.7	5%	0.048	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.7	175.4	-179.3	0	0	0	0	108.7	V897 V898 L924 I1069 S1070 M1073 H1075	V897-V1077 VanDerWaalsContact O-CA 3.31Å; V897-V1077 WeakPolarHBondContact O-CA 3.19Å; V897-V1077 WeakPolarHBondContact O-CG1 3.44Å; V898-V1077 HydrophobicContact CG1-CG2 4.48Å; V898-V1077 HydrophobicContact CG2-CG2 4.16Å; L924-V1077 HydrophobicContact CD1-CG1 4.25Å; L924-V1077 HydrophobicContact CD1-CG2 4.35Å; I1069-V1077 HydrophobicContact CG2-CB 4.22Å; I1069-V1077 HydrophobicContact CG2-CG1 4.19Å; I1069-V1077 HydrophobicContact CG2-CG2 3.99Å; S1070-V1077 PolarHBondContact OG-N 2.99Å; S1070-V1077 PolarHBondContact OG-O 2.95Å; M1073-V1077 HydrophobicContact CE-CG2 4.49Å; M1073-V1077 HydrophobicContact SD-CG2 4.01Å; H1075-V1077 PolarHBondContact O-N 3.08Å
1078	F	97.1	Very high	94.2	Very high	5 Å²	5	37.9 Å²	37.9	2%	0.022	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	157.4	173.8	68.5	-91.5	0	0	0	110.9	E398 Y401 V897 E899	E398-F1078 HydrophobicContact CB-CD2 3.69Å; E398-F1078 HydrophobicContact CB-CE2 3.66Å; E398-F1078 HydrophobicContact CB-CG 4.47Å; E398-F1078 HydrophobicContact CB-CZ 4.42Å; E398-F1078 HydrophobicContact CG-CB 4.22Å; E398-F1078 HydrophobicContact CG-CD2 3.56Å; E398-F1078 HydrophobicContact CG-CE2 3.99Å; E398-F1078 HydrophobicContact CG-CG 3.88Å; Y401-F1078 AromaticContact CD1-CE1 3.77Å; Y401-F1078 HydrophobicContact CD1-CE1 3.77Å; Y401-F1078 AromaticContact CD1-CZ 3.67Å; Y401-F1078 HydrophobicContact CD1-CZ 3.67Å; Y401-F1078 HydrophobicContact CE1-CE1 4.13Å; Y401-F1078 HydrophobicContact CE1-CZ 4.37Å; Y401-F1078 HydrophobicContact CG-CE1 4.46Å; Y401-F1078 HydrophobicContact CG-CZ 4.37Å; V897-F1078 HydrophobicContact CB-CD1 4.23Å; V897-F1078 HydrophobicContact CB-CD2 4.32Å; V897-F1078 HydrophobicContact CB-CE1 3.79Å; V897-F1078 HydrophobicContact CB-CE2 3.89Å; V897-F1078 HydrophobicContact CB-CG 4.48Å; V897-F1078 HydrophobicContact CB-CZ 3.61Å; V897-F1078 HydrophobicContact CG1-CE1 3.74Å; V897-F1078 HydrophobicContact CG1-CE2 4.43Å; V897-F1078 HydrophobicContact CG1-CZ 3.67Å; V897-F1078 HydrophobicContact CG2-CD2 4.49Å; V897-F1078 HydrophobicContact CG2-CE2 3.87Å; V897-F1078 HydrophobicContact CG2-CZ 3.92Å; V897-F1078 PolarHBondContact N-O 3.48Å; V897-F1078 PolarHBondContact O-N 3.28Å; V897-F1078 VanDerWaalsContact O-N 3.09Å; E899-F1078 HydrophobicContact CG-CD1 4.07Å; E899-F1078 HydrophobicContact CG-CE1 3.88Å
1079	A	96.9	Very high	94	Very high	2 Å²	2	35.2 Å²	35.2	2%	0.017	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.4	175.3	0	0	0	0	0	109	V894 Y895 F896 A1062 A1066 Y1084	V894-A1079 HydrophobicContact CG2-CB 4.07Å; Y895-A1079 CarbonylContact O-C 3.46Å; Y895-A1079 WeakPolarHBondContact O-CA 3.21Å; F896-A1079 HydrophobicContact CD1-CB 4.16Å; F896-A1079 HydrophobicContact CE1-CB 3.97Å; F896-A1079 HydrophobicContact CZ-CB 4.49Å; A1062-A1079 HydrophobicContact CB-CB 3.92Å; A1066-A1079 HydrophobicContact CB-CB 4.38Å; A1079-Y1084 HydrophobicContact CB-CE2 3.92Å; A1079-Y1084 WeakPolarHBondContact O-CD2 3.46Å; A1079-Y1084 VanDerWaalsContact O-CE2 3.24Å; A1079-Y1084 WeakPolarHBondContact O-CE2 3.45Å
1080	Y	96.6	Very high	93.9	Very high	6 Å²	6	36.2 Å²	36.2	2%	0.024	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.1	175.6	172.8	-101.3	0	0	0	110.7	K399 F402 F409 V894 Y895	K399-Y1080 HydrophobicContact CB-CE2 3.86Å; K399-Y1080 HydrophobicContact CG-CE2 4.07Å; F402-Y1080 HydrophobicContact CB-CD1 4.28Å; F402-Y1080 HydrophobicContact CB-CD2 4.27Å; F402-Y1080 HydrophobicContact CB-CE1 4.46Å; F402-Y1080 HydrophobicContact CB-CE2 4.43Å; F402-Y1080 HydrophobicContact CB-CG 4.17Å; F402-Y1080 AromaticContact CD1-CD1 3.81Å; F402-Y1080 HydrophobicContact CD1-CD1 3.81Å; F402-Y1080 AromaticContact CD1-CE1 3.45Å; F402-Y1080 HydrophobicContact CD1-CE1 3.45Å; F402-Y1080 VanDerWaalsContact CD1-CE1 3.45Å; F402-Y1080 AromaticContact CD1-CZ 3.87Å; F402-Y1080 AromaticContact CD2-CD1 3.55Å; F402-Y1080 HydrophobicContact CD2-CD1 3.55Å; F402-Y1080 HydrophobicContact CD2-CE1 4.09Å; F402-Y1080 AromaticContact CD2-CG 3.98Å; F402-Y1080 HydrophobicContact CD2-CG 3.98Å; F402-Y1080 AromaticContact CE1-CD1 3.99Å; F402-Y1080 HydrophobicContact CE1-CD1 3.99Å; F402-Y1080 AromaticContact CE1-CE1 3.58Å; F402-Y1080 HydrophobicContact CE1-CE1 3.58Å; F402-Y1080 AromaticContact CE2-CD1 3.74Å; F402-Y1080 HydrophobicContact CE2-CD1 3.74Å; F402-Y1080 HydrophobicContact CE2-CE1 4.2Å; F402-Y1080 AromaticContact CG-CD1 3.59Å; F402-Y1080 HydrophobicContact CG-CD1 3.59Å; F402-Y1080 HydrophobicContact CG-CD2 4.43Å; F402-Y1080 AromaticContact CG-CE1 3.73Å; F402-Y1080 HydrophobicContact CG-CE1 3.73Å; F402-Y1080 AromaticContact CG-CG 3.96Å; F402-Y1080 HydrophobicContact CG-CG 3.96Å; F402-Y1080 AromaticContact CZ-CD1 3.96Å; F402-Y1080 HydrophobicContact CZ-CD1 3.96Å; F402-Y1080 AromaticContact CZ-CE1 3.97Å; F402-Y1080 HydrophobicContact CZ-CE1 3.97Å; F409-Y1080 HydrophobicContact CB-CE1 4.44Å; V894-Y1080 WeakPolarHBondContact CA-O 3.31Å; Y895-Y1080 AromaticContact CD2-CD1 3.95Å; Y895-Y1080 HydrophobicContact CD2-CD1 3.95Å; Y895-Y1080 PolarHBondContact N-O 3.27Å; Y895-Y1080 PolarHBondContact O-N 3.47Å
1081	S	96.1	Very high	93.7	Very high	2 Å²	2	38 Å²	38	1%	0.014	19%	0.189	C	C	.	.			trans	-148	154.3	166.5	-169.5	0	0	0	0	108.9	P893 F1083 Y1084	P893-S1081 WeakPolarHBondContact O-CB 2.91Å; P893-S1081 PolarHBondContact O-OG 3.39Å; S1081-F1083 PolarHBondContact O-N 2.85Å; S1081-F1083 VanDerWaalsContact O-N 3.12Å; S1081-F1083 WeakPolarHBondContact OG-CD1 3.35Å; S1081-F1083 WeakPolarHBondContact OG-CE1 3.43Å; S1081-Y1084 WeakPolarHBondContact O-CB 3.44Å; S1081-Y1084 PolarHBondContact O-N 3.06Å; S1081-Y1084 VanDerWaalsContact O-N 3.11Å
1082	V	92.1	Very high	93.5	Very high	55 Å²	55	34.9 Å²	34.9	33%	0.333	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-34.2	-172.8	66.7	0	0	0	0	113.1	F409	F409-V1082 HydrophobicContact CD1-CB 4.36Å; F409-V1082 HydrophobicContact CD1-CG2 4.41Å
1083	F	92.8	Very high	93.5	Very high	11 Å²	11	33 Å²	33	5%	0.048	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-10.2	-175.7	68.2	-93.2	0	0	0	114.4	A892 L1049 F1055 A1058 S1081 V1085 F1086 Y1087	A892-F1083 HydrophobicContact CB-CD1 4.05Å; A892-F1083 HydrophobicContact CB-CE1 3.95Å; L1049-F1083 HydrophobicContact CD1-CE1 3.89Å; L1049-F1083 HydrophobicContact CD1-CE2 4.26Å; L1049-F1083 HydrophobicContact CD1-CZ 3.56Å; F1055-F1083 HydrophobicContact CB-CD2 4.11Å; F1055-F1083 HydrophobicContact CB-CE2 4.04Å; F1055-F1083 HydrophobicContact CD1-CB 4.46Å; F1055-F1083 HydrophobicContact CD1-CD1 4.14Å; F1055-F1083 AromaticContact CD1-CD2 3.58Å; F1055-F1083 HydrophobicContact CD1-CD2 3.58Å; F1055-F1083 HydrophobicContact CD1-CE1 4.25Å; F1055-F1083 AromaticContact CD1-CE2 3.7Å; F1055-F1083 HydrophobicContact CD1-CE2 3.7Å; F1055-F1083 AromaticContact CD1-CG 3.81Å; F1055-F1083 HydrophobicContact CD1-CG 3.81Å; F1055-F1083 HydrophobicContact CD1-CZ 4.02Å; F1055-F1083 HydrophobicContact CE1-CD1 4.37Å; F1055-F1083 HydrophobicContact CE1-CG 4.31Å; F1055-F1083 HydrophobicContact CG-CD2 4.29Å; F1055-F1083 HydrophobicContact CG-CE2 4.37Å; A1058-F1083 HydrophobicContact CB-CZ 4.33Å; S1081-F1083 PolarHBondContact O-N 2.85Å; S1081-F1083 VanDerWaalsContact O-N 3.12Å; S1081-F1083 WeakPolarHBondContact OG-CD1 3.35Å; S1081-F1083 WeakPolarHBondContact OG-CE1 3.43Å; F1083-V1085 VanDerWaalsContact C-N 3.27Å; F1083-V1085 PolarHBondContact O-N 2.94Å; F1083-F1086 PolarHBondContact O-N 3.35Å; F1083-F1086 VanDerWaalsContact O-N 3.08Å; F1083-Y1087 HydrophobicContact CB-CD2 4.07Å; F1083-Y1087 HydrophobicContact CB-CE2 4.34Å; F1083-Y1087 AromaticContact CD2-CD2 3.93Å; F1083-Y1087 HydrophobicContact CD2-CD2 3.93Å; F1083-Y1087 HydrophobicContact CD2-CG 4.5Å; F1083-Y1087 HydrophobicContact CG-CD2 4.47Å; F1083-Y1087 WeakPolarHBondContact O-CD2 3.31Å; F1083-Y1087 PolarHBondContact O-N 3.11Å; F1083-Y1087 VanDerWaalsContact O-N 3.14Å
1084	Y	95.6	Very high	93.5	Very high	3 Å²	3	34.9 Å²	34.9	1%	0.012	19%	0.185	C	C	.	.	H	α-helix	trans	-60.9	-36.9	-174.8	-73.8	3.7	0	0	0	112.4	V894 H1046 L1059 A1062 A1079 S1081 F1086 Y1087 E1088	V894-Y1084 WeakPolarHBondContact CG2-OH 3.45Å; H1046-Y1084 AromaticContact NE2-CE1 3.99Å; H1046-Y1084 AromaticContact NE2-CZ 3.87Å; H1046-Y1084 PolarHBondContact NE2-OH 3.03Å; L1059-Y1084 HydrophobicContact CB-CD1 4.21Å; L1059-Y1084 HydrophobicContact CB-CE1 4.17Å; L1059-Y1084 HydrophobicContact CD1-CD1 3.66Å; L1059-Y1084 HydrophobicContact CD1-CD2 3.58Å; L1059-Y1084 HydrophobicContact CD1-CE1 3.96Å; L1059-Y1084 HydrophobicContact CD1-CE2 3.89Å; L1059-Y1084 HydrophobicContact CD1-CG 3.47Å; L1059-Y1084 VanDerWaalsContact CD1-CG 3.47Å; L1059-Y1084 HydrophobicContact CG-CD1 4.45Å; A1062-Y1084 HydrophobicContact CB-CE2 4.45Å; A1062-Y1084 WeakPolarHBondContact CB-OH 3.49Å; A1079-Y1084 HydrophobicContact CB-CE2 3.92Å; A1079-Y1084 WeakPolarHBondContact O-CD2 3.46Å; A1079-Y1084 VanDerWaalsContact O-CE2 3.24Å; A1079-Y1084 WeakPolarHBondContact O-CE2 3.45Å; S1081-Y1084 WeakPolarHBondContact O-CB 3.44Å; S1081-Y1084 PolarHBondContact O-N 3.06Å; S1081-Y1084 VanDerWaalsContact O-N 3.11Å; Y1084-F1086 PolarHBondContact O-N 2.02Å; Y1084-Y1087 PolarHBondContact O-N 3.36Å; Y1084-E1088 WeakPolarHBondContact O-CB 3.4Å; Y1084-E1088 PolarHBondContact O-N 3.22Å
1085	V	92.8	Very high	93.5	Very high	5 Å²	5	35 Å²	35	3%	0.03	17%	0.174	C	C	.	.	H	α-helix	trans	-62.8	-27.9	178.1	-64.5	0	0	0	0	113.6	V385 S389 A395 K399 F1083	V385-V1085 HydrophobicContact CG1-CB 4.26Å; V385-V1085 HydrophobicContact CG1-CG2 4.04Å; S389-V1085 PolarHBondContact OG-O 3.2Å; S389-V1085 VanDerWaalsContact OG-O 3.14Å; A395-V1085 HydrophobicContact CB-CG1 4.14Å; K399-V1085 HydrophobicContact CB-CG1 4Å; K399-V1085 HydrophobicContact CD-CG1 3.89Å; F1083-V1085 VanDerWaalsContact C-N 3.27Å; F1083-V1085 PolarHBondContact O-N 2.94Å
1086	F	91.1	Very high	93.3	Very high	55 Å²	55	34.4 Å²	34.4	24%	0.241	17%	0.173	C	C	.	.	H	α-helix	trans	-89	-38	-180	-57.2	-62.6	0	0	0	112.1	P384 V385 F1083 Y1084 Q1089	P384-F1086 HydrophobicContact CB-CE1 3.91Å; P384-F1086 HydrophobicContact CB-CZ 4.46Å; P384-F1086 HydrophobicContact CG-CE1 4.25Å; P384-F1086 HydrophobicContact CG-CZ 4.34Å; V385-F1086 HydrophobicContact CB-CE1 4.42Å; V385-F1086 HydrophobicContact CG2-CE1 3.9Å; V385-F1086 HydrophobicContact CG2-CZ 3.71Å; F1083-F1086 PolarHBondContact O-N 3.35Å; F1083-F1086 VanDerWaalsContact O-N 3.08Å; Y1084-F1086 PolarHBondContact O-N 2.02Å; F1086-Q1089 WeakPolarHBondContact O-CG 3.44Å; F1086-Q1089 PolarHBondContact O-NE2 2.96Å
1087	Y	93.6	Very high	93.1	Very high	10 Å²	10	29 Å²	29	4%	0.039	15%	0.15	C	C	.	.	H	α-helix	trans	-92.9	-12.5	-173.6	-74.6	-89.6	0	0	0	114.5	Q867 F1055 I1056 F1083 Y1084 Q1089 Y1090	Q867-Y1087 PolarHBondContact NE2-OH 3.39Å; F1055-Y1087 HydrophobicContact CB-CD1 3.7Å; F1055-Y1087 HydrophobicContact CB-CD2 3.98Å; F1055-Y1087 HydrophobicContact CB-CE1 3.76Å; F1055-Y1087 HydrophobicContact CB-CE2 4.02Å; F1055-Y1087 HydrophobicContact CB-CG 3.82Å; F1055-Y1087 HydrophobicContact CD1-CE2 4.3Å; F1055-Y1087 HydrophobicContact CD2-CE1 4.21Å; F1055-Y1087 HydrophobicContact CD2-CE2 4.32Å; F1055-Y1087 AromaticContact CD2-CZ 3.85Å; F1055-Y1087 HydrophobicContact CG-CD2 4.36Å; F1055-Y1087 HydrophobicContact CG-CE1 4.2Å; F1055-Y1087 AromaticContact CG-CE2 3.97Å; F1055-Y1087 HydrophobicContact CG-CE2 3.97Å; F1055-Y1087 AromaticContact CG-CZ 3.89Å; I1056-Y1087 HydrophobicContact CG1-CD1 3.97Å; F1083-Y1087 HydrophobicContact CB-CD2 4.07Å; F1083-Y1087 HydrophobicContact CB-CE2 4.34Å; F1083-Y1087 AromaticContact CD2-CD2 3.93Å; F1083-Y1087 HydrophobicContact CD2-CD2 3.93Å; F1083-Y1087 HydrophobicContact CD2-CG 4.5Å; F1083-Y1087 HydrophobicContact CG-CD2 4.47Å; F1083-Y1087 WeakPolarHBondContact O-CD2 3.31Å; F1083-Y1087 PolarHBondContact O-N 3.11Å; F1083-Y1087 VanDerWaalsContact O-N 3.14Å; Y1084-Y1087 PolarHBondContact O-N 3.36Å; Y1087-Q1089 PolarHBondContact O-N 2.99Å; Y1087-Y1090 AromaticContact CD1-CD2 3.71Å; Y1087-Y1090 HydrophobicContact CD1-CD2 3.71Å; Y1087-Y1090 AromaticContact CD1-CE2 3.81Å; Y1087-Y1090 HydrophobicContact CD1-CE2 3.81Å; Y1087-Y1090 HydrophobicContact CE1-CD2 4.45Å; Y1087-Y1090 HydrophobicContact CE1-CE2 4.19Å; Y1087-Y1090 HydrophobicContact CG-CD2 4.33Å; Y1087-Y1090 HydrophobicContact CG-CE2 4.45Å; Y1087-Y1090 PolarHBondContact O-N 3.17Å; Y1087-Y1090 VanDerWaalsContact O-N 3.17Å
1088	E	93.7	Very high	92.9	Very high	28 Å²	28	31.1 Å²	31.1	13%	0.131	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-37.3	175.6	173.3	169.9	-131.7	0	0	112.6	S393 Q394 A395 L1059 R1063 Y1084 Y1090 L1091	S393-E1088 VanDerWaalsContact CB-OE2 3.31Å; S393-E1088 WeakPolarHBondContact CB-OE2 3.44Å; S393-E1088 PolarHBondContact OG-OE2 3.4Å; Q394-E1088 WeakPolarHBondContact CB-OE1 3.15Å; A395-E1088 HydrophobicContact CB-CB 4.15Å; A395-E1088 WeakPolarHBondContact CB-OE2 3.42Å; A395-E1088 PolarHBondContact N-OE1 3.15Å; A395-E1088 PolarHBondContact N-OE2 2.93Å; L1059-E1088 HydrophobicContact CD2-CB 4.19Å; R1063-E1088 IonicContact CZ-OE1 2.72Å; R1063-E1088 VanDerWaalsContact CZ-OE1 3.25Å; R1063-E1088 IonicContact NH1-OE1 3.99Å; R1063-E1088 PolarHBondContact NH1-OE1 2.86Å; R1063-E1088 IonicContact NH2-OE1 3.75Å; R1063-E1088 PolarHBondContact NH2-OE1 2.95Å; R1063-E1088 IonicContact NH2-OE2 3.21Å; Y1084-E1088 WeakPolarHBondContact O-CB 3.4Å; Y1084-E1088 PolarHBondContact O-N 3.22Å; E1088-Y1090 PolarHBondContact O-N 3.39Å; E1088-Y1090 VanDerWaalsContact O-N 3.1Å; E1088-L1091 WeakPolarHBondContact O-CB 3.33Å; E1088-L1091 WeakPolarHBondContact O-CG 3.01Å; E1088-L1091 PolarHBondContact O-N 3.21Å
1089	Q	90.5	Very high	92.6	Very high	20 Å²	20	34.2 Å²	34.2	9%	0.093	18%	0.184	C	C	.	.	H	α-helix	trans	-57.8	-29.1	-178.1	74.8	-176.6	-64.7	0	0	113.1	M761 F1086 Y1087 L1091 I1093	M761-Q1089 HydrophobicContact CE-CB 3.73Å; M761-Q1089 HydrophobicContact CE-CG 4.18Å; F1086-Q1089 WeakPolarHBondContact O-CG 3.44Å; F1086-Q1089 PolarHBondContact O-NE2 2.96Å; Y1087-Q1089 PolarHBondContact O-N 2.99Å; Q1089-L1091 VanDerWaalsContact C-N 3.28Å; Q1089-L1091 PolarHBondContact O-N 2.9Å; Q1089-I1093 WeakPolarHBondContact O-CB 2.97Å; Q1089-I1093 PolarHBondContact O-N 2.82Å; Q1089-I1093 VanDerWaalsContact O-N 3.15Å
1090	Y	92.6	Very high	92.2	Very high	22 Å²	22	34.3 Å²	34.3	9%	0.086	18%	0.184	C	C	.	.	H	α-helix	trans	-78.2	-12	-178.5	-59.3	-63.4	0	0	0	113.4	I863 G864 L865 I1056 Y1087 E1088 T1092 I1093 N1149	I863-Y1090 HydrophobicContact CG2-CD1 3.9Å; I863-Y1090 HydrophobicContact CG2-CG 4.3Å; G864-Y1090 VanDerWaalsContact CA-CE1 3.5Å; L865-Y1090 WeakPolarHBondContact CB-OH 3.47Å; L865-Y1090 PolarHBondContact N-OH 3.12Å; I1056-Y1090 HydrophobicContact CD1-CD2 4.17Å; I1056-Y1090 HydrophobicContact CD1-CG 4Å; I1056-Y1090 HydrophobicContact CG1-CD2 4.29Å; I1056-Y1090 HydrophobicContact CG1-CG 4.45Å; Y1087-Y1090 AromaticContact CD1-CD2 3.71Å; Y1087-Y1090 HydrophobicContact CD1-CD2 3.71Å; Y1087-Y1090 AromaticContact CD1-CE2 3.81Å; Y1087-Y1090 HydrophobicContact CD1-CE2 3.81Å; Y1087-Y1090 HydrophobicContact CE1-CD2 4.45Å; Y1087-Y1090 HydrophobicContact CE1-CE2 4.19Å; Y1087-Y1090 HydrophobicContact CG-CD2 4.33Å; Y1087-Y1090 HydrophobicContact CG-CE2 4.45Å; Y1087-Y1090 PolarHBondContact O-N 3.17Å; Y1087-Y1090 VanDerWaalsContact O-N 3.17Å; E1088-Y1090 PolarHBondContact O-N 3.39Å; E1088-Y1090 VanDerWaalsContact O-N 3.1Å; Y1090-T1092 VanDerWaalsContact C-N 3.33Å; Y1090-I1093 HydrophobicContact CD1-CD1 4.04Å; Y1090-I1093 HydrophobicContact CD1-CG2 4.32Å; Y1090-I1093 HydrophobicContact CE1-CD1 4.22Å; Y1090-N1149 HydrophobicContact CE1-CB 3.85Å
1091	L	92.1	Very high	91.9	Very high	60 Å²	60	34.6 Å²	34.6	31%	0.314	19%	0.187	S	C	.	.	H	α-helix	trans	-68.7	-32.8	174.3	-61.8	179.5	0	0	0	112.2	I1056 L1059 K1060 E1088 Q1089	I1056-L1091 HydrophobicContact CG2-CD2 3.96Å; L1059-L1091 HydrophobicContact CD2-CD1 3.85Å; L1059-L1091 HydrophobicContact CD2-CG 4.28Å; L1059-L1091 HydrophobicContact CG-CD1 4.29Å; K1060-L1091 HydrophobicContact CD-CD2 4.01Å; K1060-L1091 VanDerWaalsContact CE-CD2 3.46Å; K1060-L1091 HydrophobicContact CG-CD2 3.39Å; E1088-L1091 WeakPolarHBondContact O-CB 3.33Å; E1088-L1091 WeakPolarHBondContact O-CG 3.01Å; E1088-L1091 PolarHBondContact O-N 3.21Å; Q1089-L1091 VanDerWaalsContact C-N 3.28Å; Q1089-L1091 PolarHBondContact O-N 2.9Å
1092	T	91.6	Very high	91.7	Very high	70 Å²	70	38.9 Å²	38.9	43%	0.429	22%	0.215	S	C	.	.	H	α-helix	trans	-114.4	-7.1	-177.2	60.9	0	0	0	0	113.8	Y1090 A1094 Y1095 D1096	Y1090-T1092 VanDerWaalsContact C-N 3.33Å; T1092-A1094 VanDerWaalsContact C-N 3.26Å; T1092-A1094 PolarHBondContact O-N 3.48Å; T1092-A1094 VanDerWaalsContact O-N 3.07Å; T1092-Y1095 WeakPolarHBondContact O-CA 3.41Å; T1092-Y1095 WeakPolarHBondContact O-CB 3.2Å; T1092-Y1095 PolarHBondContact O-N 3.14Å; T1092-D1096 WeakPolarHBondContact CB-OD2 3.07Å; T1092-D1096 PolarHBondContact O-N 3.29Å; T1092-D1096 PolarHBondContact OG1-OD2 3.25Å
1093	I	90.9	Very high	91.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-54.4	-36.2	-171.7	-164.5	167	0	0	0	114.7	M761 I863 Q1089 Y1090 D1096 T1097 L1148 N1149	M761-I1093 HydrophobicContact CE-CD1 4.13Å; M761-I1093 HydrophobicContact CE-CG1 4.14Å; I863-I1093 HydrophobicContact CG2-CG2 3.54Å; Q1089-I1093 WeakPolarHBondContact O-CB 2.97Å; Q1089-I1093 PolarHBondContact O-N 2.82Å; Q1089-I1093 VanDerWaalsContact O-N 3.15Å; Y1090-I1093 HydrophobicContact CD1-CD1 4.04Å; Y1090-I1093 HydrophobicContact CD1-CG2 4.32Å; Y1090-I1093 HydrophobicContact CE1-CD1 4.22Å; I1093-D1096 PolarHBondContact O-N 3.09Å; I1093-T1097 VanDerWaalsContact O-CB 3.22Å; I1093-T1097 WeakPolarHBondContact O-CB 3.32Å; I1093-T1097 PolarHBondContact O-N 3.33Å; I1093-T1097 PolarHBondContact O-OG1 3.2Å; I1093-L1148 HydrophobicContact CD1-CG 4.37Å; I1093-L1148 HydrophobicContact CG1-CG 4.46Å; I1093-N1149 VanDerWaalsContact CD1-CA 3.43Å
1094	A	91.4	Very high	91.5	Very high	56 Å²	56	38.3 Å²	38.3	46%	0.463	21%	0.213	S	C	.	.	H	α-helix	trans	-65.7	-41.1	177.9	0	0	0	0	0	111.6	T1092 A1098	T1092-A1094 VanDerWaalsContact C-N 3.26Å; T1092-A1094 PolarHBondContact O-N 3.48Å; T1092-A1094 VanDerWaalsContact O-N 3.07Å; A1094-A1098 WeakPolarHBondContact O-CB 3.5Å; A1094-A1098 PolarHBondContact O-N 3.3Å; A1094-A1098 VanDerWaalsContact O-N 3.11Å
1095	Y	91.2	Very high	91.4	Very high	160 Å²	160	40 Å²	40	63%	0.627	22%	0.222	S	C	*	.	H	α-helix	trans	-67.9	-46.1	174.5	175.6	-96.9	0	0	0	111.1	T1092 T1097 A1098 L1099	T1092-Y1095 WeakPolarHBondContact O-CA 3.41Å; T1092-Y1095 WeakPolarHBondContact O-CB 3.2Å; T1092-Y1095 PolarHBondContact O-N 3.14Å; Y1095-T1097 VanDerWaalsContact C-N 3.3Å; Y1095-T1097 PolarHBondContact O-N 3.22Å; Y1095-A1098 PolarHBondContact O-N 2.95Å; Y1095-L1099 HydrophobicContact CE1-CD1 3.93Å; Y1095-L1099 WeakPolarHBondContact O-CB 3.36Å; Y1095-L1099 PolarHBondContact O-N 2.88Å
1096	D	89	Confident	91.4	Very high	27 Å²	27	41.3 Å²	41.3	14%	0.144	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-37.9	179.9	-63.9	-32.5	0	0	0	111.4	T1092 I1093 N1100	T1092-D1096 WeakPolarHBondContact CB-OD2 3.07Å; T1092-D1096 PolarHBondContact O-N 3.29Å; T1092-D1096 PolarHBondContact OG1-OD2 3.25Å; I1093-D1096 PolarHBondContact O-N 3.09Å; D1096-N1100 VanDerWaalsContact O-CB 3.31Å; D1096-N1100 WeakPolarHBondContact O-CB 3.49Å; D1096-N1100 PolarHBondContact O-N 3.43Å; D1096-N1100 PolarHBondContact O-ND2 3.14Å
1097	T	91	Very high	91.4	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.025	23%	0.23	C	C	.	.	H	α-helix	trans	-63.6	-50.1	174.4	-60.9	0	0	0	0	111	I1093 Y1095 L1099 N1100 L1101 F1138 L1148 L1153 L1156	I1093-T1097 VanDerWaalsContact O-CB 3.22Å; I1093-T1097 WeakPolarHBondContact O-CB 3.32Å; I1093-T1097 PolarHBondContact O-N 3.33Å; I1093-T1097 PolarHBondContact O-OG1 3.2Å; Y1095-T1097 VanDerWaalsContact C-N 3.3Å; Y1095-T1097 PolarHBondContact O-N 3.22Å; T1097-L1099 VanDerWaalsContact C-N 3.34Å; T1097-L1099 PolarHBondContact O-N 3.4Å; T1097-N1100 PolarHBondContact O-N 3.33Å; T1097-L1101 HydrophobicContact CG2-CD1 3.84Å; T1097-L1101 HydrophobicContact CG2-CG 4.37Å; T1097-L1101 WeakPolarHBondContact O-CB 3.48Å; T1097-L1101 VanDerWaalsContact O-CG 3.29Å; T1097-L1101 WeakPolarHBondContact O-CG 2.91Å; T1097-L1101 PolarHBondContact O-N 3.37Å; T1097-F1138 HydrophobicContact CG2-CE1 4.44Å; T1097-F1138 HydrophobicContact CG2-CZ 3.83Å; T1097-L1148 HydrophobicContact CG2-CD1 4.38Å; T1097-L1153 HydrophobicContact CG2-CD1 3.88Å; T1097-L1156 HydrophobicContact CG2-CD1 4.29Å
1098	A	91.6	Very high	91.4	Very high	52 Å²	52	38.8 Å²	38.8	43%	0.43	23%	0.228	S	C	.	.	H	α-helix	trans	-60	-45.2	178.6	0	0	0	0	0	111.4	A1094 Y1095 C1102	A1094-A1098 WeakPolarHBondContact O-CB 3.5Å; A1094-A1098 PolarHBondContact O-N 3.3Å; A1094-A1098 VanDerWaalsContact O-N 3.11Å; Y1095-A1098 PolarHBondContact O-N 2.95Å; A1098-C1102 VanDerWaalsContact O-CB 3.22Å; A1098-C1102 WeakPolarHBondContact O-CB 3.49Å; A1098-C1102 PolarHBondContact O-N 2.87Å; A1098-C1102 PolarHBondContact O-SG 3.14Å
1099	L	90.6	Very high	91.4	Very high	70 Å²	70	40.5 Å²	40.5	37%	0.366	24%	0.235	S	C	.	.	H	α-helix	trans	-62.2	-50.5	178.5	-175	143.2	0	0	0	111.6	Y1095 T1097 L1101 C1102 V1103	Y1095-L1099 HydrophobicContact CE1-CD1 3.93Å; Y1095-L1099 WeakPolarHBondContact O-CB 3.36Å; Y1095-L1099 PolarHBondContact O-N 2.88Å; T1097-L1099 VanDerWaalsContact C-N 3.34Å; T1097-L1099 PolarHBondContact O-N 3.4Å; L1099-L1101 PolarHBondContact O-N 2.93Å; L1099-C1102 PolarHBondContact O-N 2.91Å; L1099-V1103 HydrophobicContact CD2-CG2 4.28Å; L1099-V1103 HydrophobicContact CG-CG2 4.42Å; L1099-V1103 WeakPolarHBondContact O-CB 3.31Å; L1099-V1103 VanDerWaalsContact O-CG2 3.23Å; L1099-V1103 WeakPolarHBondContact O-CG2 3.48Å; L1099-V1103 PolarHBondContact O-N 2.94Å
1100	N	88.6	Confident	91.5	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-62.5	-43.1	-178.9	-78.7	-55.3	0	0	0	112.4	D1096 T1097 S1104	D1096-N1100 VanDerWaalsContact O-CB 3.31Å; D1096-N1100 WeakPolarHBondContact O-CB 3.49Å; D1096-N1100 PolarHBondContact O-N 3.43Å; D1096-N1100 PolarHBondContact O-ND2 3.14Å; T1097-N1100 PolarHBondContact O-N 3.33Å; N1100-S1104 VanDerWaalsContact O-CB 3.31Å; N1100-S1104 WeakPolarHBondContact O-CB 3.4Å; N1100-S1104 PolarHBondContact O-N 3.19Å; N1100-S1104 PolarHBondContact O-OG 2.9Å
1101	L	91.2	Very high	91.5	Very high	13 Å²	13	43.4 Å²	43.4	7%	0.068	26%	0.256	C	S	.	.	H	α-helix	trans	-68.6	-41.4	178.4	-66.3	179.4	0	0	0	111.9	T1097 L1099 S1104 L1105 L1134 F1138 L1156 V1157	T1097-L1101 HydrophobicContact CG2-CD1 3.84Å; T1097-L1101 HydrophobicContact CG2-CG 4.37Å; T1097-L1101 WeakPolarHBondContact O-CB 3.48Å; T1097-L1101 VanDerWaalsContact O-CG 3.29Å; T1097-L1101 WeakPolarHBondContact O-CG 2.91Å; T1097-L1101 PolarHBondContact O-N 3.37Å; L1099-L1101 PolarHBondContact O-N 2.93Å; L1101-S1104 PolarHBondContact O-N 3.25Å; L1101-L1105 VanDerWaalsContact O-CB 3.3Å; L1101-L1105 WeakPolarHBondContact O-CB 3.32Å; L1101-L1105 PolarHBondContact O-N 2.77Å; L1101-L1134 HydrophobicContact CD2-CD1 4.4Å; L1101-L1134 HydrophobicContact CD2-CD2 4.35Å; L1101-F1138 HydrophobicContact CD1-CE2 3.89Å; L1101-F1138 HydrophobicContact CD1-CZ 3.94Å; L1101-L1156 HydrophobicContact CD2-CB 4.17Å; L1101-V1157 HydrophobicContact CD2-CG2 4.33Å
1102	C	92.1	Very high	91.4	Very high	91 Å²	91	40.5 Å²	40.5	62%	0.615	24%	0.241	S	C	*	.	H	α-helix	trans	-66.4	-41.4	177.2	-74.6	0	0	0	0	112.5	A1098 L1099 L1105 G1106	A1098-C1102 VanDerWaalsContact O-CB 3.22Å; A1098-C1102 WeakPolarHBondContact O-CB 3.49Å; A1098-C1102 PolarHBondContact O-N 2.87Å; A1098-C1102 PolarHBondContact O-SG 3.14Å; L1099-C1102 PolarHBondContact O-N 2.91Å; C1102-L1105 PolarHBondContact O-N 3.11Å; C1102-G1106 PolarHBondContact O-N 3.38Å
1103	V	90.9	Very high	91.4	Very high	53 Å²	53	37.8 Å²	37.8	32%	0.321	23%	0.225	S	C	.	.	H	α-helix	trans	-64.6	-44.7	176.3	170.3	0	0	0	0	110.6	L755 L1099 G1106 A1107	L755-V1103 HydrophobicContact CB-CG1 3.99Å; L755-V1103 HydrophobicContact CD1-CG1 4.28Å; L1099-V1103 HydrophobicContact CD2-CG2 4.28Å; L1099-V1103 HydrophobicContact CG-CG2 4.42Å; L1099-V1103 WeakPolarHBondContact O-CB 3.31Å; L1099-V1103 VanDerWaalsContact O-CG2 3.23Å; L1099-V1103 WeakPolarHBondContact O-CG2 3.48Å; L1099-V1103 PolarHBondContact O-N 2.94Å; V1103-G1106 PolarHBondContact O-N 2.81Å; V1103-A1107 WeakPolarHBondContact O-CB 3.08Å; V1103-A1107 PolarHBondContact O-N 3.5Å
1104	S	90.5	Very high	91.3	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.007	24%	0.242	C	C	.	.	H	α-helix	trans	-61.1	-46.5	177.1	-58.9	0	0	0	0	111.6	N1100 L1101 G1106 A1107 I1108	N1100-S1104 VanDerWaalsContact O-CB 3.31Å; N1100-S1104 WeakPolarHBondContact O-CB 3.4Å; N1100-S1104 PolarHBondContact O-N 3.19Å; N1100-S1104 PolarHBondContact O-OG 2.9Å; L1101-S1104 PolarHBondContact O-N 3.25Å; S1104-G1106 PolarHBondContact O-N 2.86Å; S1104-A1107 WeakPolarHBondContact O-CB 3.36Å; S1104-A1107 PolarHBondContact O-N 3.47Å; S1104-I1108 WeakPolarHBondContact O-CG1 3.39Å; S1104-I1108 PolarHBondContact O-N 3.39Å
1105	L	92.3	Very high	91.1	Very high	38 Å²	38	39.2 Å²	39.2	20%	0.199	23%	0.226	C	C	.	.	H	α-helix	trans	-64.1	-41.2	177.3	-171.2	70.1	0	0	0	112	L1101 C1102 A1107 I1108 F1109 I1130 A1131	L1101-L1105 VanDerWaalsContact O-CB 3.3Å; L1101-L1105 WeakPolarHBondContact O-CB 3.32Å; L1101-L1105 PolarHBondContact O-N 2.77Å; C1102-L1105 PolarHBondContact O-N 3.11Å; L1105-A1107 VanDerWaalsContact C-N 3.33Å; L1105-A1107 PolarHBondContact O-N 2.05Å; L1105-I1108 PolarHBondContact O-N 3.33Å; L1105-F1109 WeakPolarHBondContact O-CB 3.45Å; L1105-F1109 PolarHBondContact O-N 3.41Å; L1105-I1130 HydrophobicContact CD1-CB 3.89Å; L1105-I1130 HydrophobicContact CD1-CG2 3.72Å; L1105-A1131 HydrophobicContact CD2-CB 4.04Å
1106	G	92.7	Very high	90.8	Very high	34 Å²	34	32 Å²	32	35%	0.351	20%	0.198	S	C	.	.	H	α-helix	trans	-61.5	-40.6	175.2	0	0	0	0	0	112.3	C1102 V1103 S1104 F1109 V1110	C1102-G1106 PolarHBondContact O-N 3.38Å; V1103-G1106 PolarHBondContact O-N 2.81Å; S1104-G1106 PolarHBondContact O-N 2.86Å; G1106-F1109 WeakPolarHBondContact O-CB 3.4Å; G1106-F1109 PolarHBondContact O-N 2.79Å; G1106-V1110 WeakPolarHBondContact O-CG2 3.46Å; G1106-V1110 PolarHBondContact O-N 3.01Å
1107	A	91.9	Very high	90.4	Very high	12 Å²	12	30.7 Å²	30.7	10%	0.099	19%	0.192	C	C	.	.	H	α-helix	trans	-64.3	-46.9	175.8	0	0	0	0	0	112.2	V751 L755 V1103 S1104 L1105 F1109 V1110 V1111	V751-A1107 HydrophobicContact CG1-CB 4.13Å; L755-A1107 HydrophobicContact CD1-CB 3.35Å; V1103-A1107 WeakPolarHBondContact O-CB 3.08Å; V1103-A1107 PolarHBondContact O-N 3.5Å; S1104-A1107 WeakPolarHBondContact O-CB 3.36Å; S1104-A1107 PolarHBondContact O-N 3.47Å; L1105-A1107 VanDerWaalsContact C-N 3.33Å; L1105-A1107 PolarHBondContact O-N 2.05Å; A1107-F1109 VanDerWaalsContact C-N 3.29Å; A1107-F1109 PolarHBondContact O-N 3.35Å; A1107-V1110 PolarHBondContact O-N 2.7Å; A1107-V1111 WeakPolarHBondContact O-CG2 3.12Å; A1107-V1111 PolarHBondContact O-N 3.24Å
1108	I	92.3	Very high	90	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.9	-42.8	175.7	-68.2	161	0	0	0	110.5	A752 S1104 L1105 V1110 T1112 I1130 C1160 V1164	A752-I1108 HydrophobicContact CB-CD1 4.33Å; A752-I1108 HydrophobicContact CB-CG1 4.22Å; S1104-I1108 WeakPolarHBondContact O-CG1 3.39Å; S1104-I1108 PolarHBondContact O-N 3.39Å; L1105-I1108 PolarHBondContact O-N 3.33Å; I1108-V1110 PolarHBondContact O-N 3.08Å; I1108-T1112 WeakPolarHBondContact O-CB 3.1Å; I1108-T1112 PolarHBondContact O-N 2.6Å; I1108-T1112 PolarHBondContact O-OG1 3.33Å; I1108-I1130 HydrophobicContact CG2-CD1 3.99Å; I1108-C1160 WeakPolarHBondContact CD1-SG 3.45Å; I1108-V1164 HydrophobicContact CD1-CG2 3.57Å; I1108-V1164 HydrophobicContact CG1-CG2 3.94Å; I1108-V1164 HydrophobicContact CG2-CG2 3.83Å
1109	F	94.1	Very high	89.6	Confident	63 Å²	63	34 Å²	34	28%	0.276	20%	0.197	S	C	.	.	H	α-helix	trans	-59.8	-46.6	176.5	174.1	-102.4	0	0	0	112.1	L1105 G1106 A1107 T1113 L1120 A1123 L1124 S1127	L1105-F1109 WeakPolarHBondContact O-CB 3.45Å; L1105-F1109 PolarHBondContact O-N 3.41Å; G1106-F1109 WeakPolarHBondContact O-CB 3.4Å; G1106-F1109 PolarHBondContact O-N 2.79Å; A1107-F1109 VanDerWaalsContact C-N 3.29Å; A1107-F1109 PolarHBondContact O-N 3.35Å; F1109-T1113 WeakPolarHBondContact O-CB 3.41Å; F1109-T1113 PolarHBondContact O-N 2.9Å; F1109-T1113 PolarHBondContact O-OG1 3.17Å; F1109-L1120 HydrophobicContact CZ-CD2 3.97Å; F1109-A1123 HydrophobicContact CD2-CB 4.02Å; F1109-A1123 HydrophobicContact CE2-CB 4.01Å; F1109-L1124 HydrophobicContact CE2-CB 4.44Å; F1109-S1127 WeakPolarHBondContact CB-OG 3.45Å; F1109-S1127 WeakPolarHBondContact CD2-OG 3.12Å
1110	V	93.4	Very high	89.4	Confident	90 Å²	90	35.8 Å²	35.8	55%	0.545	21%	0.206	S	C	.	.	H	α-helix	trans	-64.2	-50	179.3	171.2	0	0	0	0	110.8	G1106 A1107 I1108 T1112 T1113 V1114	G1106-V1110 WeakPolarHBondContact O-CG2 3.46Å; G1106-V1110 PolarHBondContact O-N 3.01Å; A1107-V1110 PolarHBondContact O-N 2.7Å; I1108-V1110 PolarHBondContact O-N 3.08Å; V1110-T1112 PolarHBondContact O-N 3.35Å; V1110-T1113 PolarHBondContact O-N 3.19Å; V1110-V1114 WeakPolarHBondContact O-CG2 3.11Å; V1110-V1114 PolarHBondContact O-N 3.02Å
1111	V	92.4	Very high	89.4	Confident	13 Å²	13	39.3 Å²	39.3	8%	0.079	23%	0.23	C	C	.	.	H	α-helix	trans	-61.2	-46.4	-179.9	174.2	0	0	0	0	110.8	L744 F747 S748 V751 A1107 T1113 V1114 L1115	L744-V1111 HydrophobicContact CD1-CG1 4.44Å; F747-V1111 HydrophobicContact CD1-CG1 3.65Å; F747-V1111 HydrophobicContact CD1-CG2 4.3Å; F747-V1111 HydrophobicContact CE1-CG1 4.28Å; F747-V1111 HydrophobicContact CE1-CG2 4.25Å; S748-V1111 WeakPolarHBondContact OG-CG1 3.16Å; V751-V1111 HydrophobicContact CB-CG2 4.41Å; V751-V1111 HydrophobicContact CG1-CG2 4.43Å; V751-V1111 HydrophobicContact CG2-CG2 4.41Å; A1107-V1111 WeakPolarHBondContact O-CG2 3.12Å; A1107-V1111 PolarHBondContact O-N 3.24Å; V1111-T1113 VanDerWaalsContact C-N 3.32Å; V1111-T1113 PolarHBondContact O-N 3.43Å; V1111-V1114 PolarHBondContact O-N 3.3Å; V1111-L1115 HydrophobicContact CG1-CD1 3.74Å; V1111-L1115 HydrophobicContact CG1-CG 4.29Å; V1111-L1115 WeakPolarHBondContact O-CB 3.31Å; V1111-L1115 PolarHBondContact O-N 3.24Å
1112	T	90.6	Very high	89.2	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-39.3	179.1	-57.7	0	0	0	0	111.8	L744 I1108 V1110 L1116 A1123 V1126	L744-T1112 HydrophobicContact CD1-CG2 4.44Å; I1108-T1112 WeakPolarHBondContact O-CB 3.1Å; I1108-T1112 PolarHBondContact O-N 2.6Å; I1108-T1112 PolarHBondContact O-OG1 3.33Å; V1110-T1112 PolarHBondContact O-N 3.35Å; T1112-L1116 HydrophobicContact CG2-CD1 3.48Å; T1112-L1116 VanDerWaalsContact CG2-CD1 3.48Å; T1112-L1116 HydrophobicContact CG2-CG 4.14Å; T1112-L1116 VanDerWaalsContact O-CB 3.26Å; T1112-L1116 WeakPolarHBondContact O-CB 3.41Å; T1112-L1116 WeakPolarHBondContact O-CG 3.49Å; T1112-L1116 PolarHBondContact O-N 2.99Å; T1112-A1123 HydrophobicContact CG2-CB 3.89Å; T1112-V1126 HydrophobicContact CG2-CG2 4.42Å
1113	T	90.4	Very high	89.1	Confident	13 Å²	13	34.4 Å²	34.4	8%	0.08	20%	0.198	C	C	.	.	H	α-helix	trans	-63	-47.1	176.9	-61.4	0	0	0	0	111.5	F1109 V1110 V1111 F1118 L1120 A1123	F1109-T1113 WeakPolarHBondContact O-CB 3.41Å; F1109-T1113 PolarHBondContact O-N 2.9Å; F1109-T1113 PolarHBondContact O-OG1 3.17Å; V1110-T1113 PolarHBondContact O-N 3.19Å; V1111-T1113 VanDerWaalsContact C-N 3.32Å; V1111-T1113 PolarHBondContact O-N 3.43Å; T1113-F1118 WeakPolarHBondContact O-CA 3.41Å; T1113-F1118 PolarHBondContact O-N 3.39Å; T1113-L1120 HydrophobicContact CG2-CD2 3.71Å; T1113-L1120 HydrophobicContact CG2-CG 4.34Å; T1113-A1123 WeakPolarHBondContact OG1-CB 3.44Å
1114	V	89.6	Confident	89.2	Confident	59 Å²	59	36 Å²	36	36%	0.358	20%	0.204	S	C	.	.	H	α-helix	trans	-67	-48.8	-178.7	174	0	0	0	0	110.7	V1110 V1111 G1117 F1118	V1110-V1114 WeakPolarHBondContact O-CG2 3.11Å; V1110-V1114 PolarHBondContact O-N 3.02Å; V1111-V1114 PolarHBondContact O-N 3.3Å; V1114-G1117 PolarHBondContact O-N 3.24Å; V1114-F1118 HydrophobicContact CG2-CE1 4.41Å
1115	L	87.4	Confident	89.2	Confident	27 Å²	27	36.6 Å²	36.6	14%	0.141	21%	0.207	C	C	.	.	H	α-helix	trans	-76.1	-24.5	-173	-69	-176.8	0	0	0	114.3	F338 F743 L744 F747 V1111 G1117	F338-L1115 HydrophobicContact CE1-CD2 3.92Å; F338-L1115 HydrophobicContact CZ-CD2 3.92Å; F743-L1115 HydrophobicContact CD1-CD1 4.03Å; F743-L1115 HydrophobicContact CD1-CD2 4.24Å; F743-L1115 HydrophobicContact CE1-CD1 4.01Å; F743-L1115 HydrophobicContact CE1-CD2 3.88Å; L744-L1115 HydrophobicContact CB-CB 4.47Å; L744-L1115 HydrophobicContact CB-CD1 4.2Å; L744-L1115 HydrophobicContact CD1-CB 3.77Å; L744-L1115 HydrophobicContact CD1-CD1 3.99Å; L744-L1115 HydrophobicContact CD1-CG 4.46Å; F747-L1115 HydrophobicContact CD1-CD1 4.16Å; V1111-L1115 HydrophobicContact CG1-CD1 3.74Å; V1111-L1115 HydrophobicContact CG1-CG 4.29Å; V1111-L1115 WeakPolarHBondContact O-CB 3.31Å; V1111-L1115 PolarHBondContact O-N 3.24Å; L1115-G1117 VanDerWaalsContact C-N 3.25Å; L1115-G1117 PolarHBondContact O-N 3.42Å
1116	L	84.1	Confident	89.2	Confident	7 Å²	7	34.8 Å²	34.8	4%	0.037	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	2.9	172	-70.6	177.3	0	0	0	114	L744 T1112 V1171 R1172	L744-L1116 HydrophobicContact CD2-CD2 3.85Å; L744-L1116 HydrophobicContact CD2-CG 4.04Å; T1112-L1116 HydrophobicContact CG2-CD1 3.48Å; T1112-L1116 VanDerWaalsContact CG2-CD1 3.48Å; T1112-L1116 HydrophobicContact CG2-CG 4.14Å; T1112-L1116 VanDerWaalsContact O-CB 3.26Å; T1112-L1116 WeakPolarHBondContact O-CB 3.41Å; T1112-L1116 WeakPolarHBondContact O-CG 3.49Å; T1112-L1116 PolarHBondContact O-N 2.99Å; L1116-V1171 HydrophobicContact CD1-CG1 4.31Å; L1116-R1172 HydrophobicContact CD2-CB 3.9Å; L1116-R1172 HydrophobicContact CD2-CG 3.84Å
1117	G	80.8	Confident	89.2	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.01	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	40.9	177.9	0	0	0	0	0	114.1	V1114 L1115 E1119	V1114-G1117 PolarHBondContact O-N 3.24Å; L1115-G1117 VanDerWaalsContact C-N 3.25Å; L1115-G1117 PolarHBondContact O-N 3.42Å; G1117-E1119 VanDerWaalsContact C-N 3.29Å; G1117-E1119 PolarHBondContact O-N 3.48Å
1118	F	83.5	Confident	89.3	Confident	97 Å²	97	36.6 Å²	36.6	43%	0.425	20%	0.197	S	C	.	.	S	Bend	trans	63.1	26.2	179.4	-62.3	-85.7	0	0	0	115	L334 T1113 V1114 L1120	L334-F1118 HydrophobicContact CD2-CD2 3.88Å; L334-F1118 HydrophobicContact CD2-CE2 3.69Å; T1113-F1118 WeakPolarHBondContact O-CA 3.41Å; T1113-F1118 PolarHBondContact O-N 3.39Å; V1114-F1118 HydrophobicContact CG2-CE1 4.41Å; F1118-L1120 PolarHBondContact O-N 2.97Å; F1118-L1120 VanDerWaalsContact O-N 3.15Å
1119	E	83.5	Confident	89.4	Confident	29 Å²	29	36.6 Å²	36.6	14%	0.136	20%	0.197	C	C	.	.			trans	-82.4	84.1	173.7	-69.5	-174.1	-176.5	0	0	111.7	G1117 C1121 S1122 A1123 S1175 N1255 K1258	G1117-E1119 VanDerWaalsContact C-N 3.29Å; G1117-E1119 PolarHBondContact O-N 3.48Å; E1119-C1121 VanDerWaalsContact C-N 3.28Å; E1119-C1121 PolarHBondContact O-N 3.42Å; E1119-S1122 PolarHBondContact O-N 2.96Å; E1119-S1122 PolarHBondContact OE2-OG 2.88Å; E1119-A1123 PolarHBondContact O-N 3.23Å; E1119-S1175 PolarHBondContact OE2-OG 2.83Å; E1119-N1255 PolarHBondContact OE1-ND2 3.1Å; E1119-K1258 IonicContact OE1-NZ 3.71Å
1120	L	86.3	Confident	89.4	Confident	107 Å²	107	33.6 Å²	33.6	56%	0.56	18%	0.184	S	C	*	.	H	α-helix	trans	-55.3	-38.1	-178.2	-72.8	165.2	0	0	0	113.7	F1109 T1113 F1118 S1122 A1123 L1124	F1109-L1120 HydrophobicContact CZ-CD2 3.97Å; T1113-L1120 HydrophobicContact CG2-CD2 3.71Å; T1113-L1120 HydrophobicContact CG2-CG 4.34Å; F1118-L1120 PolarHBondContact O-N 2.97Å; F1118-L1120 VanDerWaalsContact O-N 3.15Å; L1120-S1122 PolarHBondContact O-N 3.06Å; L1120-A1123 PolarHBondContact O-N 3.38Å; L1120-L1124 VanDerWaalsContact O-CB 3.28Å; L1120-L1124 WeakPolarHBondContact O-CB 3.47Å; L1120-L1124 PolarHBondContact O-N 2.99Å
1121	C	87.5	Confident	89.5	Confident	78 Å²	78	30.9 Å²	30.9	53%	0.527	17%	0.172	S	C	.	.	H	α-helix	trans	-60.8	-47.4	179.1	-65.3	0	0	0	0	111.4	E1119 A1123 L1124 M1125 P1252	E1119-C1121 VanDerWaalsContact C-N 3.28Å; E1119-C1121 PolarHBondContact O-N 3.42Å; C1121-A1123 PolarHBondContact O-N 3.22Å; C1121-L1124 PolarHBondContact O-N 3.07Å; C1121-M1125 VanDerWaalsContact O-CG 3.23Å; C1121-M1125 WeakPolarHBondContact O-CG 3.23Å; C1121-M1125 PolarHBondContact O-N 3.19Å; C1121-P1252 HydrophobicContact CB-CB 4.48Å
1122	S	87.5	Confident	89.7	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60	-47.7	179.3	-59.9	0	0	0	0	111.7	E1119 L1120 L1124 M1125 V1126 P1252	E1119-S1122 PolarHBondContact O-N 2.96Å; E1119-S1122 PolarHBondContact OE2-OG 2.88Å; L1120-S1122 PolarHBondContact O-N 3.06Å; S1122-L1124 VanDerWaalsContact C-N 3.33Å; S1122-L1124 PolarHBondContact O-N 3.36Å; S1122-M1125 PolarHBondContact O-N 3.34Å; S1122-V1126 PolarHBondContact O-N 3.44Å; S1122-V1126 VanDerWaalsContact O-N 3.15Å; S1122-P1252 WeakPolarHBondContact OG-CG 3.28Å
1123	A	90.3	Very high	89.9	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.8	-37.8	178.4	0	0	0	0	0	112.5	F1109 T1112 T1113 E1119 L1120 C1121 V1126 S1127	F1109-A1123 HydrophobicContact CD2-CB 4.02Å; F1109-A1123 HydrophobicContact CE2-CB 4.01Å; T1112-A1123 HydrophobicContact CG2-CB 3.89Å; T1113-A1123 WeakPolarHBondContact OG1-CB 3.44Å; E1119-A1123 PolarHBondContact O-N 3.23Å; L1120-A1123 PolarHBondContact O-N 3.38Å; C1121-A1123 PolarHBondContact O-N 3.22Å; A1123-V1126 PolarHBondContact O-N 3.47Å; A1123-S1127 WeakPolarHBondContact O-CB 3.46Å; A1123-S1127 PolarHBondContact O-N 2.84Å; A1123-S1127 PolarHBondContact O-OG 2.98Å
1124	L	91.4	Very high	90.2	Very high	88 Å²	88	30.9 Å²	30.9	46%	0.461	17%	0.17	S	C	.	.	H	α-helix	trans	-64.4	-41.1	174.8	-174.1	68.2	0	0	0	111.6	F1109 L1120 C1121 S1122 V1126 S1127 I1128	F1109-L1124 HydrophobicContact CE2-CB 4.44Å; L1120-L1124 VanDerWaalsContact O-CB 3.28Å; L1120-L1124 WeakPolarHBondContact O-CB 3.47Å; L1120-L1124 PolarHBondContact O-N 2.99Å; C1121-L1124 PolarHBondContact O-N 3.07Å; S1122-L1124 VanDerWaalsContact C-N 3.33Å; S1122-L1124 PolarHBondContact O-N 3.36Å; L1124-V1126 PolarHBondContact O-N 3.15Å; L1124-S1127 PolarHBondContact O-N 3.12Å; L1124-I1128 HydrophobicContact CD1-CD1 4.14Å; L1124-I1128 HydrophobicContact CD1-CG1 4.31Å; L1124-I1128 HydrophobicContact CD2-CD1 4.33Å; L1124-I1128 HydrophobicContact CG-CD1 3.79Å; L1124-I1128 HydrophobicContact CG-CG1 4.33Å; L1124-I1128 WeakPolarHBondContact O-CB 3.42Å; L1124-I1128 VanDerWaalsContact O-CG1 3.31Å; L1124-I1128 WeakPolarHBondContact O-CG1 3.34Å; L1124-I1128 PolarHBondContact O-N 3Å
1125	M	91	Very high	90.5	Very high	12 Å²	12	30.1 Å²	30.1	6%	0.059	17%	0.165	C	C	.	.	H	α-helix	trans	-62.6	-43.3	177.2	-58.8	-39.8	-76.1	0	0	112	C1121 S1122 T1129 L1246 L1247 I1250	C1121-M1125 VanDerWaalsContact O-CG 3.23Å; C1121-M1125 WeakPolarHBondContact O-CG 3.23Å; C1121-M1125 PolarHBondContact O-N 3.19Å; S1122-M1125 PolarHBondContact O-N 3.34Å; M1125-T1129 WeakPolarHBondContact O-CB 3.22Å; M1125-T1129 PolarHBondContact O-N 3.08Å; M1125-T1129 VanDerWaalsContact O-N 3.08Å; M1125-T1129 PolarHBondContact O-OG1 2.77Å; M1125-L1246 HydrophobicContact CE-CB 4.49Å; M1125-L1246 HydrophobicContact CE-CD1 3.73Å; M1125-L1246 HydrophobicContact CE-CD2 3.3Å; M1125-L1246 HydrophobicContact CE-CG 3.2Å; M1125-L1247 HydrophobicContact CG-CD2 4.42Å; M1125-I1250 HydrophobicContact CE-CB 4.27Å
1126	V	91.9	Very high	90.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.3	-50.7	174.7	173.8	0	0	0	0	109.7	T1112 S1122 A1123 L1124 I1128 T1129 I1130 C1167 V1171	T1112-V1126 HydrophobicContact CG2-CG2 4.42Å; S1122-V1126 PolarHBondContact O-N 3.44Å; S1122-V1126 VanDerWaalsContact O-N 3.15Å; A1123-V1126 PolarHBondContact O-N 3.47Å; L1124-V1126 PolarHBondContact O-N 3.15Å; V1126-I1128 PolarHBondContact O-N 2.9Å; V1126-T1129 PolarHBondContact O-N 3.29Å; V1126-I1130 HydrophobicContact CG1-CD1 3.65Å; V1126-I1130 HydrophobicContact CG1-CG1 4.38Å; V1126-I1130 WeakPolarHBondContact O-CG1 3.15Å; V1126-I1130 PolarHBondContact O-N 2.03Å; V1126-C1167 HydrophobicContact CG1-CB 4.01Å; V1126-V1171 HydrophobicContact CG2-CB 3.82Å; V1126-V1171 HydrophobicContact CG2-CG1 3.98Å; V1126-V1171 HydrophobicContact CG2-CG2 3.56Å
1127	S	93.1	Very high	91.5	Very high	10 Å²	10	28.5 Å²	28.5	7%	0.07	16%	0.157	C	C	.	.	H	α-helix	trans	-65.1	-41.3	-175.7	-53.5	0	0	0	0	112.8	F1109 A1123 L1124 T1129 I1130 A1131	F1109-S1127 WeakPolarHBondContact CB-OG 3.45Å; F1109-S1127 WeakPolarHBondContact CD2-OG 3.12Å; A1123-S1127 WeakPolarHBondContact O-CB 3.46Å; A1123-S1127 PolarHBondContact O-N 2.84Å; A1123-S1127 PolarHBondContact O-OG 2.98Å; L1124-S1127 PolarHBondContact O-N 3.12Å; S1127-T1129 VanDerWaalsContact C-N 3.33Å; S1127-T1129 PolarHBondContact O-N 3.01Å; S1127-I1130 PolarHBondContact O-N 2.03Å; S1127-A1131 WeakPolarHBondContact O-CB 3.25Å; S1127-A1131 PolarHBondContact O-N 3.1Å
1128	I	93.5	Very high	92.2	Very high	74 Å²	74	29.9 Å²	29.9	38%	0.379	16%	0.163	S	C	.	.	H	α-helix	trans	-62.1	-43	174.5	-71.8	171.2	0	0	0	110.5	L1124 V1126 A1131 M1132	L1124-I1128 HydrophobicContact CD1-CD1 4.14Å; L1124-I1128 HydrophobicContact CD1-CG1 4.31Å; L1124-I1128 HydrophobicContact CD2-CD1 4.33Å; L1124-I1128 HydrophobicContact CG-CD1 3.79Å; L1124-I1128 HydrophobicContact CG-CG1 4.33Å; L1124-I1128 WeakPolarHBondContact O-CB 3.42Å; L1124-I1128 VanDerWaalsContact O-CG1 3.31Å; L1124-I1128 WeakPolarHBondContact O-CG1 3.34Å; L1124-I1128 PolarHBondContact O-N 3Å; V1126-I1128 PolarHBondContact O-N 2.9Å; I1128-A1131 PolarHBondContact O-N 3.32Å; I1128-M1132 HydrophobicContact CG2-SD 4.29Å; I1128-M1132 WeakPolarHBondContact O-CG 3.49Å; I1128-M1132 PolarHBondContact O-N 3.02Å
1129	T	94.6	Very high	92.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.9	-41.9	-179.7	-52.3	0	0	0	0	111.2	M1125 V1126 S1127 M1132 I1133 H1238 F1242 L1243	M1125-T1129 WeakPolarHBondContact O-CB 3.22Å; M1125-T1129 PolarHBondContact O-N 3.08Å; M1125-T1129 VanDerWaalsContact O-N 3.08Å; M1125-T1129 PolarHBondContact O-OG1 2.77Å; V1126-T1129 PolarHBondContact O-N 3.29Å; S1127-T1129 VanDerWaalsContact C-N 3.33Å; S1127-T1129 PolarHBondContact O-N 3.01Å; T1129-M1132 WeakPolarHBondContact O-CB 3Å; T1129-M1132 PolarHBondContact O-N 3.32Å; T1129-I1133 HydrophobicContact CG2-CD1 4.43Å; T1129-I1133 WeakPolarHBondContact O-CG1 3.41Å; T1129-I1133 PolarHBondContact O-N 3.37Å; T1129-H1238 HydrophobicContact CG2-CB 4.04Å; T1129-F1242 HydrophobicContact CG2-CD1 4.32Å; T1129-L1243 HydrophobicContact CG2-CB 4.48Å
1130	I	94.9	Very high	93.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.8	-43.5	174.7	-63.9	169.3	0	0	0	110.6	L1105 I1108 V1126 S1127 M1132 I1133 L1134 V1164	L1105-I1130 HydrophobicContact CD1-CB 3.89Å; L1105-I1130 HydrophobicContact CD1-CG2 3.72Å; I1108-I1130 HydrophobicContact CG2-CD1 3.99Å; V1126-I1130 HydrophobicContact CG1-CD1 3.65Å; V1126-I1130 HydrophobicContact CG1-CG1 4.38Å; V1126-I1130 WeakPolarHBondContact O-CG1 3.15Å; V1126-I1130 PolarHBondContact O-N 2.03Å; S1127-I1130 PolarHBondContact O-N 2.03Å; I1130-M1132 VanDerWaalsContact C-N 3.3Å; I1130-M1132 PolarHBondContact O-N 3.48Å; I1130-I1133 WeakPolarHBondContact O-CB 2.99Å; I1130-I1133 PolarHBondContact O-N 2.84Å; I1130-I1133 VanDerWaalsContact O-N 3.13Å; I1130-L1134 HydrophobicContact CG2-CD1 4.26Å; I1130-L1134 HydrophobicContact CG2-CG 4.44Å; I1130-L1134 WeakPolarHBondContact O-CG 3.43Å; I1130-L1134 PolarHBondContact O-N 2.89Å; I1130-V1164 HydrophobicContact CD1-CG2 3.82Å
1131	A	95.4	Very high	93.8	Very high	34 Å²	34	20.5 Å²	20.5	28%	0.281	12%	0.12	S	C	.	.	H	α-helix	trans	-59.5	-40.6	175.5	0	0	0	0	0	112	L1105 S1127 I1128 L1134 V1135	L1105-A1131 HydrophobicContact CD2-CB 4.04Å; S1127-A1131 WeakPolarHBondContact O-CB 3.25Å; S1127-A1131 PolarHBondContact O-N 3.1Å; I1128-A1131 PolarHBondContact O-N 3.32Å; A1131-L1134 PolarHBondContact O-N 3.33Å; A1131-V1135 WeakPolarHBondContact O-CG2 3.41Å; A1131-V1135 PolarHBondContact O-N 3.3Å
1132	M	96.1	Very high	94.2	Very high	15 Å²	15	21.5 Å²	21.5	7%	0.074	11%	0.113	C	C	.	.	H	α-helix	trans	-62.7	-41.6	173.9	-72.2	178.9	62.6	0	0	112.4	F847 L851 I1128 T1129 I1130 V1135 N1136 F1242	F847-M1132 HydrophobicContact CB-CE 4.42Å; L851-M1132 HydrophobicContact CD1-CB 4.48Å; L851-M1132 HydrophobicContact CD1-CG 4.24Å; L851-M1132 HydrophobicContact CD2-CE 4.29Å; L851-M1132 HydrophobicContact CD2-CG 4.07Å; I1128-M1132 HydrophobicContact CG2-SD 4.29Å; I1128-M1132 WeakPolarHBondContact O-CG 3.49Å; I1128-M1132 PolarHBondContact O-N 3.02Å; T1129-M1132 WeakPolarHBondContact O-CB 3Å; T1129-M1132 PolarHBondContact O-N 3.32Å; I1130-M1132 VanDerWaalsContact C-N 3.3Å; I1130-M1132 PolarHBondContact O-N 3.48Å; M1132-V1135 PolarHBondContact O-N 3.29Å; M1132-N1136 WeakPolarHBondContact O-CB 3.27Å; M1132-N1136 VanDerWaalsContact O-CG 3.3Å; M1132-N1136 PolarHBondContact O-N 2.85Å; M1132-N1136 PolarHBondContact O-ND2 3.21Å; M1132-F1242 HydrophobicContact CE-CD1 4.37Å; M1132-F1242 HydrophobicContact CE-CE1 3.72Å; M1132-F1242 HydrophobicContact CE-CE2 4.17Å; M1132-F1242 HydrophobicContact CE-CZ 3.62Å; M1132-F1242 HydrophobicContact SD-CD1 4.46Å; M1132-F1242 HydrophobicContact SD-CE1 3.48Å; M1132-F1242 WeakPolarHBondContact SD-CE1 3.48Å; M1132-F1242 HydrophobicContact SD-CZ 3.64Å
1133	I	96.3	Very high	94.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.2	-46.8	176	-66.4	162.4	0	0	0	110.3	T1129 I1130 N1136 M1137 S1163 L1234 H1238	T1129-I1133 HydrophobicContact CG2-CD1 4.43Å; T1129-I1133 WeakPolarHBondContact O-CG1 3.41Å; T1129-I1133 PolarHBondContact O-N 3.37Å; I1130-I1133 WeakPolarHBondContact O-CB 2.99Å; I1130-I1133 PolarHBondContact O-N 2.84Å; I1130-I1133 VanDerWaalsContact O-N 3.13Å; I1133-N1136 PolarHBondContact O-N 2.95Å; I1133-M1137 WeakPolarHBondContact O-CB 3.28Å; I1133-M1137 PolarHBondContact O-N 2.89Å; I1133-S1163 WeakPolarHBondContact CG2-OG 3.46Å; I1133-L1234 HydrophobicContact CG2-CB 4.28Å; I1133-H1238 HydrophobicContact CD1-CB 3.72Å; I1133-H1238 HydrophobicContact CG1-CB 3.55Å; I1133-H1238 VanDerWaalsContact CG1-CG 3.48Å
1134	L	95.3	Very high	94.8	Very high	11 Å²	11	30.9 Å²	30.9	6%	0.058	16%	0.156	C	C	.	.	H	α-helix	trans	-62.5	-44.5	179.9	-68.7	175.2	0	0	0	112.2	L1101 I1130 A1131 N1136 M1137 F1138 C1160	L1101-L1134 HydrophobicContact CD2-CD1 4.4Å; L1101-L1134 HydrophobicContact CD2-CD2 4.35Å; I1130-L1134 HydrophobicContact CG2-CD1 4.26Å; I1130-L1134 HydrophobicContact CG2-CG 4.44Å; I1130-L1134 WeakPolarHBondContact O-CG 3.43Å; I1130-L1134 PolarHBondContact O-N 2.89Å; A1131-L1134 PolarHBondContact O-N 3.33Å; L1134-N1136 PolarHBondContact O-N 3.22Å; L1134-M1137 WeakPolarHBondContact O-CB 3.38Å; L1134-M1137 PolarHBondContact O-N 3.46Å; L1134-F1138 VanDerWaalsContact O-CD2 3.27Å; L1134-F1138 WeakPolarHBondContact O-CD2 3.46Å; L1134-F1138 PolarHBondContact O-N 2.67Å; L1134-F1138 VanDerWaalsContact O-N 3.15Å; L1134-C1160 HydrophobicContact CD2-CB 4.32Å
1135	V	96.1	Very high	94.8	Very high	42 Å²	42	31.9 Å²	31.9	26%	0.255	16%	0.162	S	C	.	.	H	α-helix	trans	-64.4	-41.7	176.8	173.6	0	0	0	0	111.2	L851 S854 I855 V858 A1131 M1132 M1137 F1138 G1139	L851-V1135 HydrophobicContact CD1-CB 3.92Å; L851-V1135 HydrophobicContact CD1-CG1 3.69Å; S854-V1135 WeakPolarHBondContact CB-O 3.03Å; I855-V1135 HydrophobicContact CD1-CG1 4.49Å; I855-V1135 HydrophobicContact CG1-CG1 3.57Å; V858-V1135 HydrophobicContact CG2-CG1 4.39Å; A1131-V1135 WeakPolarHBondContact O-CG2 3.41Å; A1131-V1135 PolarHBondContact O-N 3.3Å; M1132-V1135 PolarHBondContact O-N 3.29Å; V1135-M1137 VanDerWaalsContact C-N 3.26Å; V1135-M1137 PolarHBondContact O-N 3.41Å; V1135-F1138 WeakPolarHBondContact O-CB 3.3Å; V1135-F1138 PolarHBondContact O-N 3.45Å; V1135-G1139 PolarHBondContact O-N 3Å; V1135-G1139 VanDerWaalsContact O-N 3.11Å
1136	N	96.6	Very high	95	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-66.1	-30.3	174.9	-73.9	-27.8	0	0	0	112.6	M850 L851 S854 M1132 I1133 L1134 G1139 V1140 L1234 H1238	M850-N1136 PolarHBondContact O-OD1 3.44Å; L851-N1136 WeakPolarHBondContact CA-OD1 3.34Å; S854-N1136 WeakPolarHBondContact CB-OD1 3.34Å; S854-N1136 WeakPolarHBondContact OG-CA 3.49Å; S854-N1136 PolarHBondContact OG-OD1 3.01Å; M1132-N1136 WeakPolarHBondContact O-CB 3.27Å; M1132-N1136 VanDerWaalsContact O-CG 3.3Å; M1132-N1136 PolarHBondContact O-N 2.85Å; M1132-N1136 PolarHBondContact O-ND2 3.21Å; I1133-N1136 PolarHBondContact O-N 2.95Å; L1134-N1136 PolarHBondContact O-N 3.22Å; N1136-G1139 PolarHBondContact O-N 3.26Å; N1136-V1140 WeakPolarHBondContact O-CG2 3.44Å; N1136-V1140 PolarHBondContact O-N 3.29Å; N1136-L1234 HydrophobicContact CB-CD1 4.19Å; N1136-L1234 HydrophobicContact CB-CD2 4.14Å; N1136-H1238 PolarHBondContact ND2-CE1 3.06Å; N1136-H1238 VanDerWaalsContact ND2-CE1 3.31Å; N1136-H1238 PolarHBondContact ND2-NE2 2.77Å
1137	M	95.6	Very high	95	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.1	-43.3	172.7	-170.3	61.4	-138.7	0	0	111.1	I1133 L1134 V1135 G1139 V1140 M1141 L1156 M1227 A1230 I1231 L1234	I1133-M1137 WeakPolarHBondContact O-CB 3.28Å; I1133-M1137 PolarHBondContact O-N 2.89Å; L1134-M1137 WeakPolarHBondContact O-CB 3.38Å; L1134-M1137 PolarHBondContact O-N 3.46Å; V1135-M1137 VanDerWaalsContact C-N 3.26Å; V1135-M1137 PolarHBondContact O-N 3.41Å; M1137-G1139 VanDerWaalsContact C-N 3.3Å; M1137-G1139 PolarHBondContact O-N 3.11Å; M1137-V1140 PolarHBondContact O-N 3.49Å; M1137-M1141 HydrophobicContact CE-CG 3.91Å; M1137-M1141 VanDerWaalsContact O-CG 3.32Å; M1137-M1141 WeakPolarHBondContact O-CG 3.29Å; M1137-M1141 PolarHBondContact O-N 2.84Å; M1137-L1156 HydrophobicContact CB-CD2 4.17Å; M1137-L1156 HydrophobicContact CG-CD2 3.66Å; M1137-M1227 HydrophobicContact CE-CB 4.05Å; M1137-M1227 HydrophobicContact CE-CE 3.97Å; M1137-M1227 HydrophobicContact CE-CG 4.02Å; M1137-A1230 HydrophobicContact CE-CB 3.82Å; M1137-A1230 HydrophobicContact SD-CB 3.7Å; M1137-I1231 HydrophobicContact SD-CG1 3.94Å; M1137-L1234 HydrophobicContact CB-CD1 4.39Å; M1137-L1234 HydrophobicContact SD-CD1 4.24Å
1138	F	95.9	Very high	95	Very high	30 Å²	30	32.2 Å²	32.2	13%	0.132	16%	0.164	C	C	.	.	H	α-helix	trans	-61.1	-37.6	171.6	-75.6	-70.9	0	0	0	112.8	V858 T1097 L1101 L1134 V1135 V1140 M1141 W1142 L1148 L1156	V858-F1138 HydrophobicContact CG2-CB 3.64Å; V858-F1138 HydrophobicContact CG2-CG 4.45Å; T1097-F1138 HydrophobicContact CG2-CE1 4.44Å; T1097-F1138 HydrophobicContact CG2-CZ 3.83Å; L1101-F1138 HydrophobicContact CD1-CE2 3.89Å; L1101-F1138 HydrophobicContact CD1-CZ 3.94Å; L1134-F1138 VanDerWaalsContact O-CD2 3.27Å; L1134-F1138 WeakPolarHBondContact O-CD2 3.46Å; L1134-F1138 PolarHBondContact O-N 2.67Å; L1134-F1138 VanDerWaalsContact O-N 3.15Å; V1135-F1138 WeakPolarHBondContact O-CB 3.3Å; V1135-F1138 PolarHBondContact O-N 3.45Å; F1138-V1140 VanDerWaalsContact C-N 3.34Å; F1138-V1140 PolarHBondContact O-N 2.9Å; F1138-M1141 HydrophobicContact CD1-SD 3.99Å; F1138-M1141 HydrophobicContact CE1-SD 4.35Å; F1138-M1141 WeakPolarHBondContact O-CB 3.33Å; F1138-M1141 PolarHBondContact O-N 3.25Å; F1138-W1142 PolarHBondContact O-N 3Å; F1138-L1148 HydrophobicContact CE1-CD1 4.39Å; F1138-L1156 HydrophobicContact CE1-CD1 3.71Å; F1138-L1156 HydrophobicContact CZ-CD1 3.67Å; F1138-L1156 HydrophobicContact CZ-CD2 4.45Å
1139	G	95.6	Very high	94.9	Very high	3 Å²	3	28.8 Å²	28.8	3%	0.031	15%	0.146	C	C	.	.	H	α-helix	trans	-60.9	-41	173.6	0	0	0	0	0	113	V1135 N1136 M1137 L1143	V1135-G1139 PolarHBondContact O-N 3Å; V1135-G1139 VanDerWaalsContact O-N 3.11Å; N1136-G1139 PolarHBondContact O-N 3.26Å; M1137-G1139 VanDerWaalsContact C-N 3.3Å; M1137-G1139 PolarHBondContact O-N 3.11Å; G1139-L1143 WeakPolarHBondContact O-CB 3.39Å; G1139-L1143 PolarHBondContact O-N 3.48Å
1140	V	96.1	Very high	94.5	Very high	32 Å²	32	29 Å²	29	19%	0.194	15%	0.148	C	C	.	.	H	α-helix	trans	-70.8	-38.4	174.4	175.4	0	0	0	0	111.7	N1136 M1137 F1138 W1142 L1143 W1144 A1230 L1234	N1136-V1140 WeakPolarHBondContact O-CG2 3.44Å; N1136-V1140 PolarHBondContact O-N 3.29Å; M1137-V1140 PolarHBondContact O-N 3.49Å; F1138-V1140 VanDerWaalsContact C-N 3.34Å; F1138-V1140 PolarHBondContact O-N 2.9Å; V1140-W1142 VanDerWaalsContact C-N 3.25Å; V1140-W1142 PolarHBondContact O-N 2.87Å; V1140-L1143 PolarHBondContact O-N 3.2Å; V1140-L1143 VanDerWaalsContact O-N 3.13Å; V1140-W1144 HydrophobicContact CG1-CD2 3.99Å; V1140-W1144 HydrophobicContact CG1-CE3 3.81Å; V1140-W1144 HydrophobicContact CG1-CG 4.33Å; V1140-W1144 HydrophobicContact CG1-CZ3 4.39Å; V1140-W1144 WeakPolarHBondContact O-CB 3.41Å; V1140-W1144 PolarHBondContact O-N 2.92Å; V1140-A1230 HydrophobicContact CB-CB 4.46Å; V1140-A1230 HydrophobicContact CG1-CB 3.77Å; V1140-L1234 HydrophobicContact CG2-CD1 4.09Å
1141	M	95.6	Very high	94.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-55.5	-44.8	174.8	-73.4	174.7	67.8	0	0	110.7	V861 M1137 F1138 D1145 I1146 L1148 L1156 M1227	V861-M1141 HydrophobicContact CG1-CE 4.29Å; M1137-M1141 HydrophobicContact CE-CG 3.91Å; M1137-M1141 VanDerWaalsContact O-CG 3.32Å; M1137-M1141 WeakPolarHBondContact O-CG 3.29Å; M1137-M1141 PolarHBondContact O-N 2.84Å; F1138-M1141 HydrophobicContact CD1-SD 3.99Å; F1138-M1141 HydrophobicContact CE1-SD 4.35Å; F1138-M1141 WeakPolarHBondContact O-CB 3.33Å; F1138-M1141 PolarHBondContact O-N 3.25Å; M1141-D1145 PolarHBondContact O-N 3.45Å; M1141-D1145 VanDerWaalsContact O-N 3.14Å; M1141-I1146 HydrophobicContact CB-CB 4.13Å; M1141-I1146 HydrophobicContact CE-CG2 4.34Å; M1141-I1146 HydrophobicContact CG-CB 4.22Å; M1141-I1146 HydrophobicContact CG-CG2 4.36Å; M1141-I1146 PolarHBondContact O-N 2.86Å; M1141-L1148 HydrophobicContact CE-CD1 4.24Å; M1141-L1156 HydrophobicContact CE-CD1 4.48Å; M1141-L1156 HydrophobicContact SD-CD1 4.04Å; M1141-L1156 HydrophobicContact SD-CD2 3.96Å; M1141-L1156 HydrophobicContact SD-CG 4.25Å; M1141-M1227 HydrophobicContact SD-CE 4.2Å
1142	W	95.4	Very high	94	Very high	100 Å²	100	27.9 Å²	27.9	38%	0.379	14%	0.138	S	C	.	.	H	α-helix	trans	-66	-44.6	174	178.6	74.6	0	0	0	113.1	F853 V857 V861 F1138 V1140 W1144 D1145	F853-W1142 HydrophobicContact CE2-CZ3 4.49Å; F853-W1142 HydrophobicContact CZ-CE3 4.39Å; F853-W1142 AromaticContact CZ-CZ3 3.86Å; F853-W1142 HydrophobicContact CZ-CZ3 3.86Å; V857-W1142 HydrophobicContact CB-CB 4.47Å; V857-W1142 HydrophobicContact CB-CD2 3.67Å; V857-W1142 HydrophobicContact CB-CE3 3.66Å; V857-W1142 HydrophobicContact CB-CG 4.04Å; V857-W1142 HydrophobicContact CB-CZ3 4.18Å; V857-W1142 HydrophobicContact CG1-CD2 4.09Å; V857-W1142 HydrophobicContact CG1-CE3 3.74Å; V857-W1142 HydrophobicContact CG1-CH2 4.03Å; V857-W1142 HydrophobicContact CG1-CZ2 4.36Å; V857-W1142 HydrophobicContact CG1-CZ3 3.72Å; V857-W1142 HydrophobicContact CG2-CB 4.22Å; V857-W1142 HydrophobicContact CG2-CD2 4.03Å; V857-W1142 HydrophobicContact CG2-CE3 3.71Å; V857-W1142 HydrophobicContact CG2-CG 4.26Å; V857-W1142 HydrophobicContact CG2-CZ3 4.43Å; V861-W1142 HydrophobicContact CG2-CB 4.05Å; F1138-W1142 PolarHBondContact O-N 3Å; V1140-W1142 VanDerWaalsContact C-N 3.25Å; V1140-W1142 PolarHBondContact O-N 2.87Å; W1142-W1144 VanDerWaalsContact C-N 3.29Å; W1142-W1144 PolarHBondContact O-N 3.4Å; W1142-D1145 PolarHBondContact O-N 3.2Å
1143	L	95.3	Very high	93.8	Very high	102 Å²	102	27.2 Å²	27.2	53%	0.534	13%	0.134	S	C	.	.	H	α-helix	trans	-65.4	-32.5	-176.9	-160.9	156.4	0	0	0	112.7	F853 G1139 V1140	F853-L1143 HydrophobicContact CE1-CD1 4.24Å; F853-L1143 HydrophobicContact CZ-CD1 4.39Å; G1139-L1143 WeakPolarHBondContact O-CB 3.39Å; G1139-L1143 PolarHBondContact O-N 3.48Å; V1140-L1143 PolarHBondContact O-N 3.2Å; V1140-L1143 VanDerWaalsContact O-N 3.13Å
1144	W	94.7	Very high	93.4	Very high	94 Å²	94	27.4 Å²	27.4	36%	0.356	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	14.8	-178.8	-76	-2.3	0	0	0	114.2	V1140 W1142 I1146 R1226 L1229 A1230	V1140-W1144 HydrophobicContact CG1-CD2 3.99Å; V1140-W1144 HydrophobicContact CG1-CE3 3.81Å; V1140-W1144 HydrophobicContact CG1-CG 4.33Å; V1140-W1144 HydrophobicContact CG1-CZ3 4.39Å; V1140-W1144 WeakPolarHBondContact O-CB 3.41Å; V1140-W1144 PolarHBondContact O-N 2.92Å; W1142-W1144 VanDerWaalsContact C-N 3.29Å; W1142-W1144 PolarHBondContact O-N 3.4Å; W1144-I1146 HydrophobicContact CB-CD1 4.19Å; W1144-I1146 HydrophobicContact CB-CG1 4.19Å; W1144-I1146 PolarHBondContact O-N 3.39Å; W1144-R1226 HydrophobicContact CE3-CB 3.66Å; W1144-R1226 HydrophobicContact CE3-CG 3.99Å; W1144-R1226 HydrophobicContact CZ3-CB 3.94Å; W1144-R1226 HydrophobicContact CZ3-CG 4.3Å; W1144-R1226 WeakPolarHBondContact CZ3-O 3.18Å; W1144-R1226 PolarHBondContact O-NH1 3.41Å; W1144-L1229 HydrophobicContact CH2-CD2 4Å; W1144-L1229 HydrophobicContact CZ3-CD2 4.46Å; W1144-A1230 HydrophobicContact CZ3-CB 4.43Å
1145	D	92.8	Very high	93.1	Very high	110 Å²	110	26.9 Å²	26.9	59%	0.588	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	51.2	174.8	-159.1	34.2	0	0	0	112.9	M1141 W1142	M1141-D1145 PolarHBondContact O-N 3.45Å; M1141-D1145 VanDerWaalsContact O-N 3.14Å; W1142-D1145 PolarHBondContact O-N 3.2Å
1146	I	93.9	Very high	92.9	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.015	12%	0.12	C	C	.	.			trans	-105.8	114.8	178.6	-52.7	175.8	0	0	0	107.7	M1141 W1144 V1222 F1223 R1226 M1227	M1141-I1146 HydrophobicContact CB-CB 4.13Å; M1141-I1146 HydrophobicContact CE-CG2 4.34Å; M1141-I1146 HydrophobicContact CG-CB 4.22Å; M1141-I1146 HydrophobicContact CG-CG2 4.36Å; M1141-I1146 PolarHBondContact O-N 2.86Å; W1144-I1146 HydrophobicContact CB-CD1 4.19Å; W1144-I1146 HydrophobicContact CB-CG1 4.19Å; W1144-I1146 PolarHBondContact O-N 3.39Å; I1146-V1222 HydrophobicContact CG1-CG1 4.25Å; I1146-F1223 HydrophobicContact CG2-CD1 3.84Å; I1146-F1223 HydrophobicContact CG2-CE1 3.88Å; I1146-R1226 HydrophobicContact CD1-CB 3.92Å; I1146-M1227 HydrophobicContact CD1-CG 3.78Å; I1146-M1227 HydrophobicContact CG2-CG 4.13Å; I1146-M1227 HydrophobicContact CG2-SD 4.01Å
1147	S	93.3	Very high	92.5	Very high	14 Å²	14	25 Å²	25	10%	0.098	12%	0.121	C	C	.	.			trans	-75.1	154.7	-179.8	66.9	0	0	0	0	113.1	E862 G864 N1149 S1152	E862-S1147 CarbonylContact O-C 3.06Å; E862-S1147 WeakPolarHBondContact O-CA 3.29Å; G864-S1147 WeakPolarHBondContact O-CB 3.09Å; G864-S1147 PolarHBondContact O-OG 2.89Å; S1147-N1149 PolarHBondContact OG-ND2 2.93Å; S1147-S1152 WeakPolarHBondContact O-CB 3.42Å; S1147-S1152 PolarHBondContact O-OG 2.92Å
1148	L	93.3	Very high	92.2	Very high	12 Å²	12	25 Å²	25	6%	0.063	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-85	112.9	172.9	-173.3	65.2	0	0	0	110	V861 E862 I863 G864 I1093 T1097 F1138 M1141 S1152 L1156	V861-L1148 HydrophobicContact CG1-CB 4.09Å; E862-L1148 PolarHBondContact O-N 3.34Å; I863-L1148 HydrophobicContact CG1-CB 4.5Å; G864-L1148 PolarHBondContact N-O 2.69Å; I1093-L1148 HydrophobicContact CD1-CG 4.37Å; I1093-L1148 HydrophobicContact CG1-CG 4.46Å; T1097-L1148 HydrophobicContact CG2-CD1 4.38Å; F1138-L1148 HydrophobicContact CE1-CD1 4.39Å; M1141-L1148 HydrophobicContact CE-CD1 4.24Å; L1148-S1152 WeakPolarHBondContact CA-OG 3.48Å; L1148-L1156 HydrophobicContact CD1-CD1 4.05Å
1149	N	90.9	Very high	91.9	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.011	12%	0.115	C	C	.	.	S	Bend	trans	-146.4	-178.8	177.2	60.7	50.2	0	0	0	109.7	L865 Y1090 I1093 S1147 V1151 S1152 L1153 F1223	L865-N1149 HydrophobicContact CB-CB 4.21Å; Y1090-N1149 HydrophobicContact CE1-CB 3.85Å; I1093-N1149 VanDerWaalsContact CD1-CA 3.43Å; S1147-N1149 PolarHBondContact OG-ND2 2.93Å; N1149-V1151 VanDerWaalsContact C-N 3.27Å; N1149-V1151 PolarHBondContact O-N 3.49Å; N1149-V1151 WeakPolarHBondContact OD1-CA 3.47Å; N1149-V1151 WeakPolarHBondContact OD1-CB 3.48Å; N1149-V1151 PolarHBondContact OD1-N 3.44Å; N1149-S1152 PolarHBondContact N-OG 3.09Å; N1149-S1152 PolarHBondContact O-N 2.88Å; N1149-S1152 PolarHBondContact O-OG 3.3Å; N1149-S1152 PolarHBondContact OD1-N 3.32Å; N1149-S1152 PolarHBondContact OD1-OG 3.08Å; N1149-L1153 WeakPolarHBondContact O-CB 3.38Å; N1149-L1153 PolarHBondContact O-N 3.19Å; N1149-F1223 WeakPolarHBondContact ND2-CE1 3.16Å; N1149-F1223 WeakPolarHBondContact ND2-CZ 3.43Å
1150	A	86.5	Confident	91.6	Very high	3 Å²	3	23.5 Å²	23.5	3%	0.025	11%	0.114	C	C	.	.	H	α-helix	trans	-62.5	-31.3	-178.2	0	0	0	0	0	113.4	W388 M761 V1154	W388-A1150 HydrophobicContact CE3-CB 4.03Å; W388-A1150 HydrophobicContact CZ3-CB 3.61Å; M761-A1150 HydrophobicContact CE-CB 4.34Å; M761-A1150 HydrophobicContact SD-CB 4.03Å; A1150-V1154 WeakPolarHBondContact O-CG2 3.15Å; A1150-V1154 PolarHBondContact O-N 3.26Å; A1150-V1154 VanDerWaalsContact O-N 3.09Å
1151	V	88.2	Confident	91.2	Very high	12 Å²	12	22 Å²	22	7%	0.073	11%	0.106	C	C	.	.	H	α-helix	trans	-70	-48.4	176.1	-177	0	0	0	0	110.8	W388 I692 N1149 L1153 V1154 N1155 F1223 Y1224	W388-V1151 HydrophobicContact CH2-CG2 3.79Å; W388-V1151 HydrophobicContact CZ3-CG2 4.43Å; I692-V1151 HydrophobicContact CD1-CG2 4.43Å; N1149-V1151 VanDerWaalsContact C-N 3.27Å; N1149-V1151 PolarHBondContact O-N 3.49Å; N1149-V1151 WeakPolarHBondContact OD1-CA 3.47Å; N1149-V1151 WeakPolarHBondContact OD1-CB 3.48Å; N1149-V1151 PolarHBondContact OD1-N 3.44Å; V1151-L1153 VanDerWaalsContact C-N 3.28Å; V1151-L1153 PolarHBondContact O-N 3.06Å; V1151-V1154 WeakPolarHBondContact O-CB 3.46Å; V1151-V1154 PolarHBondContact O-N 2.95Å; V1151-N1155 PolarHBondContact O-N 3.01Å; V1151-F1223 HydrophobicContact CG1-CB 4.01Å; V1151-F1223 HydrophobicContact CG1-CG 4.47Å; V1151-Y1224 HydrophobicContact CG1-CE1 4.4Å; V1151-Y1224 HydrophobicContact CG1-CE2 4.41Å
1152	S	91.8	Very high	90.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-66.3	-31.5	177.1	56	0	0	0	0	112.2	S1147 L1148 N1149 N1155 L1156	S1147-S1152 WeakPolarHBondContact O-CB 3.42Å; S1147-S1152 PolarHBondContact O-OG 2.92Å; L1148-S1152 WeakPolarHBondContact CA-OG 3.48Å; N1149-S1152 PolarHBondContact N-OG 3.09Å; N1149-S1152 PolarHBondContact O-N 2.88Å; N1149-S1152 PolarHBondContact O-OG 3.3Å; N1149-S1152 PolarHBondContact OD1-N 3.32Å; N1149-S1152 PolarHBondContact OD1-OG 3.08Å; S1152-N1155 PolarHBondContact O-N 3.36Å; S1152-L1156 VanDerWaalsContact O-CG 3.27Å; S1152-L1156 WeakPolarHBondContact O-CG 3.18Å; S1152-L1156 PolarHBondContact O-N 2.83Å
1153	L	90.4	Very high	90.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.8	-46.2	170.1	176.3	57.5	0	0	0	112.3	M761 V764 T1097 N1149 V1151 N1155 L1156 V1157	M761-L1153 HydrophobicContact SD-CD2 4.07Å; V764-L1153 HydrophobicContact CG2-CD2 4.23Å; T1097-L1153 HydrophobicContact CG2-CD1 3.88Å; N1149-L1153 WeakPolarHBondContact O-CB 3.38Å; N1149-L1153 PolarHBondContact O-N 3.19Å; V1151-L1153 VanDerWaalsContact C-N 3.28Å; V1151-L1153 PolarHBondContact O-N 3.06Å; L1153-N1155 VanDerWaalsContact C-N 3.28Å; L1153-N1155 PolarHBondContact O-N 2.63Å; L1153-L1156 PolarHBondContact O-N 3.45Å; L1153-V1157 HydrophobicContact CD1-CG2 4.31Å; L1153-V1157 WeakPolarHBondContact O-CG2 3.3Å; L1153-V1157 PolarHBondContact O-N 2.87Å
1154	V	87.4	Confident	90.5	Very high	4 Å²	4	13 Å²	13	2%	0.024	7%	0.065	C	C	.	.	H	α-helix	trans	-56.6	-45.7	173.7	167.5	0	0	0	0	110.6	V764 F767 A1150 V1151 L1156 V1157 M1158	V764-V1154 HydrophobicContact CB-CG2 4.33Å; V764-V1154 HydrophobicContact CG1-CG2 4.42Å; V764-V1154 HydrophobicContact CG2-CG2 3.87Å; F767-V1154 HydrophobicContact CD1-CG1 3.56Å; F767-V1154 HydrophobicContact CD1-CG2 4.3Å; F767-V1154 HydrophobicContact CD2-CG1 4Å; F767-V1154 HydrophobicContact CE1-CG1 3.48Å; F767-V1154 VanDerWaalsContact CE1-CG1 3.48Å; F767-V1154 HydrophobicContact CE2-CG1 3.92Å; F767-V1154 HydrophobicContact CG-CG1 3.82Å; F767-V1154 HydrophobicContact CG-CG2 4.44Å; F767-V1154 HydrophobicContact CZ-CG1 3.65Å; A1150-V1154 WeakPolarHBondContact O-CG2 3.15Å; A1150-V1154 PolarHBondContact O-N 3.26Å; A1150-V1154 VanDerWaalsContact O-N 3.09Å; V1151-V1154 WeakPolarHBondContact O-CB 3.46Å; V1151-V1154 PolarHBondContact O-N 2.95Å; V1154-L1156 VanDerWaalsContact C-N 3.32Å; V1154-L1156 PolarHBondContact O-N 2.96Å; V1154-V1157 PolarHBondContact O-N 3.23Å; V1154-M1158 WeakPolarHBondContact O-CB 3.49Å; V1154-M1158 PolarHBondContact O-N 3.27Å
1155	N	90.2	Very high	90.3	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-66.2	-32.3	179.4	-69.7	-18.5	0	0	0	112.8	V1151 S1152 L1153 S1159 F1223 M1227 I1231	V1151-N1155 PolarHBondContact O-N 3.01Å; S1152-N1155 PolarHBondContact O-N 3.36Å; L1153-N1155 VanDerWaalsContact C-N 3.28Å; L1153-N1155 PolarHBondContact O-N 2.63Å; N1155-S1159 WeakPolarHBondContact O-CB 3.46Å; N1155-S1159 PolarHBondContact O-N 3.43Å; N1155-F1223 PolarHBondContact ND2-O 3.48Å; N1155-M1227 HydrophobicContact CB-CE 3.52Å; N1155-M1227 HydrophobicContact CB-SD 3.78Å; N1155-I1231 WeakPolarHBondContact O-CD1 3.31Å
1156	L	91.9	Very high	90.2	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-69.7	-41.7	173.4	-73.2	167.9	0	0	0	112.2	T1097 L1101 M1137 F1138 M1141 L1148 S1152 L1153 V1154 M1158 S1159 C1160 M1227	T1097-L1156 HydrophobicContact CG2-CD1 4.29Å; L1101-L1156 HydrophobicContact CD2-CB 4.17Å; M1137-L1156 HydrophobicContact CB-CD2 4.17Å; M1137-L1156 HydrophobicContact CG-CD2 3.66Å; F1138-L1156 HydrophobicContact CE1-CD1 3.71Å; F1138-L1156 HydrophobicContact CZ-CD1 3.67Å; F1138-L1156 HydrophobicContact CZ-CD2 4.45Å; M1141-L1156 HydrophobicContact CE-CD1 4.48Å; M1141-L1156 HydrophobicContact SD-CD1 4.04Å; M1141-L1156 HydrophobicContact SD-CD2 3.96Å; M1141-L1156 HydrophobicContact SD-CG 4.25Å; L1148-L1156 HydrophobicContact CD1-CD1 4.05Å; S1152-L1156 VanDerWaalsContact O-CG 3.27Å; S1152-L1156 WeakPolarHBondContact O-CG 3.18Å; S1152-L1156 PolarHBondContact O-N 2.83Å; L1153-L1156 PolarHBondContact O-N 3.45Å; V1154-L1156 VanDerWaalsContact C-N 3.32Å; V1154-L1156 PolarHBondContact O-N 2.96Å; L1156-M1158 VanDerWaalsContact C-N 3.34Å; L1156-S1159 VanDerWaalsContact O-CB 3.3Å; L1156-S1159 WeakPolarHBondContact O-CB 3.28Å; L1156-S1159 PolarHBondContact O-N 2.93Å; L1156-C1160 PolarHBondContact O-N 3.04Å; L1156-C1160 VanDerWaalsContact O-N 3.13Å; L1156-M1227 HydrophobicContact CG-CE 4.32Å
1157	V	88.3	Confident	90.1	Very high	4 Å²	4	3.2 Å²	3.2	2%	0.024	2%	0.02	C	C	.	.	H	α-helix	trans	-63.7	-42.9	173.8	174.3	0	0	0	0	110.3	F753 L1101 L1153 V1154 S1159 C1160 G1161	F753-V1157 HydrophobicContact CD1-CG1 4.2Å; F753-V1157 HydrophobicContact CE1-CG1 4.23Å; L1101-V1157 HydrophobicContact CD2-CG2 4.33Å; L1153-V1157 HydrophobicContact CD1-CG2 4.31Å; L1153-V1157 WeakPolarHBondContact O-CG2 3.3Å; L1153-V1157 PolarHBondContact O-N 2.87Å; V1154-V1157 PolarHBondContact O-N 3.23Å; V1157-S1159 VanDerWaalsContact C-N 3.33Å; V1157-S1159 PolarHBondContact O-N 3.12Å; V1157-C1160 VanDerWaalsContact O-CB 3.23Å; V1157-C1160 WeakPolarHBondContact O-CB 3.23Å; V1157-C1160 PolarHBondContact O-N 3.32Å; V1157-C1160 VanDerWaalsContact O-N 3.15Å; V1157-G1161 PolarHBondContact O-N 2.84Å
1158	M	88.1	Confident	90	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-60.2	-40.4	172.6	168.5	168.1	-176.7	0	0	112.7	V696 F699 L700 V1154 L1156 C1160 G1161 I1162 Y1228	V696-M1158 HydrophobicContact CG1-SD 4.16Å; F699-M1158 HydrophobicContact CD1-CE 3.83Å; F699-M1158 HydrophobicContact CE1-CE 3.99Å; L700-M1158 HydrophobicContact CB-CE 4.02Å; L700-M1158 HydrophobicContact CB-SD 4.49Å; L700-M1158 HydrophobicContact CD1-CE 3.74Å; L700-M1158 HydrophobicContact CD1-CG 3.83Å; L700-M1158 HydrophobicContact CD1-SD 4.07Å; V1154-M1158 WeakPolarHBondContact O-CB 3.49Å; V1154-M1158 PolarHBondContact O-N 3.27Å; L1156-M1158 VanDerWaalsContact C-N 3.34Å; M1158-C1160 PolarHBondContact O-N 3.34Å; M1158-G1161 PolarHBondContact O-N 3.05Å; M1158-G1161 VanDerWaalsContact O-N 3.15Å; M1158-I1162 HydrophobicContact CE-CD1 3.54Å; M1158-I1162 HydrophobicContact CG-CD1 3.86Å; M1158-I1162 HydrophobicContact CG-CG1 4.42Å; M1158-I1162 PolarHBondContact O-N 3.22Å; M1158-Y1228 HydrophobicContact CE-CE1 4.03Å; M1158-Y1228 HydrophobicContact SD-CE1 3.83Å
1159	S	91.4	Very high	89.8	Confident	0 Å²	0	2.1 Å²	2.1	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-57.9	-39	174.6	-175.7	0	0	0	0	111.6	N1155 L1156 V1157 S1163	N1155-S1159 WeakPolarHBondContact O-CB 3.46Å; N1155-S1159 PolarHBondContact O-N 3.43Å; L1156-S1159 VanDerWaalsContact O-CB 3.3Å; L1156-S1159 WeakPolarHBondContact O-CB 3.28Å; L1156-S1159 PolarHBondContact O-N 2.93Å; V1157-S1159 VanDerWaalsContact C-N 3.33Å; V1157-S1159 PolarHBondContact O-N 3.12Å; S1159-S1163 VanDerWaalsContact O-CB 3.24Å; S1159-S1163 WeakPolarHBondContact O-CB 3.45Å; S1159-S1163 PolarHBondContact O-N 3.5Å; S1159-S1163 PolarHBondContact O-OG 2.81Å
1160	C	89.4	Confident	89.8	Confident	1 Å²	1	2.1 Å²	2.1	1%	0.007	1%	0.013	C	C	.	.	H	α-helix	trans	-60.3	-46.9	175.5	-165	0	0	0	0	111.3	I1108 L1134 L1156 V1157 M1158 S1163 V1164	I1108-C1160 WeakPolarHBondContact CD1-SG 3.45Å; L1134-C1160 HydrophobicContact CD2-CB 4.32Å; L1156-C1160 PolarHBondContact O-N 3.04Å; L1156-C1160 VanDerWaalsContact O-N 3.13Å; V1157-C1160 VanDerWaalsContact O-CB 3.23Å; V1157-C1160 WeakPolarHBondContact O-CB 3.23Å; V1157-C1160 PolarHBondContact O-N 3.32Å; V1157-C1160 VanDerWaalsContact O-N 3.15Å; M1158-C1160 PolarHBondContact O-N 3.34Å; C1160-S1163 PolarHBondContact O-N 3.41Å; C1160-V1164 WeakPolarHBondContact O-CG2 3.33Å; C1160-V1164 PolarHBondContact O-N 3.48Å
1161	G	87.4	Confident	90.1	Very high	2 Å²	2	2 Å²	2	2%	0.021	1%	0.011	C	C	.	.	H	α-helix	trans	-59.5	-58.6	176.2	0	0	0	0	0	112.7	E749 V1157 M1158 S1163 V1164	E749-G1161 VanDerWaalsContact OE1-O 3.12Å; V1157-G1161 PolarHBondContact O-N 2.84Å; M1158-G1161 PolarHBondContact O-N 3.05Å; M1158-G1161 VanDerWaalsContact O-N 3.15Å; G1161-S1163 PolarHBondContact O-N 3.43Å; G1161-S1163 VanDerWaalsContact O-N 3.11Å; G1161-V1164 WeakPolarHBondContact O-CA 2.87Å; G1161-V1164 WeakPolarHBondContact O-CB 2.98Å; G1161-V1164 PolarHBondContact O-N 3.09Å
1162	I	88.3	Confident	90.1	Very high	11 Å²	11	2.8 Å²	2.8	6%	0.056	1%	0.013	C	C	.	.	H	α-helix	trans	-58.5	-32.6	-179	-64.4	174.2	0	0	0	112	L700 M1158 V1164 E1165 F1166 I1231	L700-I1162 HydrophobicContact CD1-CD1 4.44Å; L700-I1162 HydrophobicContact CD1-CG1 4.33Å; M1158-I1162 HydrophobicContact CE-CD1 3.54Å; M1158-I1162 HydrophobicContact CG-CD1 3.86Å; M1158-I1162 HydrophobicContact CG-CG1 4.42Å; M1158-I1162 PolarHBondContact O-N 3.22Å; I1162-V1164 PolarHBondContact O-N 3.11Å; I1162-E1165 PolarHBondContact O-N 3.16Å; I1162-F1166 HydrophobicContact CG2-CD2 4.16Å; I1162-F1166 HydrophobicContact CG2-CE2 3.73Å; I1162-F1166 WeakPolarHBondContact O-CD2 3.28Å; I1162-I1231 HydrophobicContact CB-CG2 4.42Å; I1162-I1231 HydrophobicContact CD1-CG2 4.32Å; I1162-I1231 HydrophobicContact CG2-CG2 4.36Å
1163	S	92.1	Very high	89.9	Confident	0 Å²	0	4 Å²	4	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-65.5	-26.9	176.4	-62.1	0	0	0	0	113.1	I1133 S1159 C1160 G1161 C1167	I1133-S1163 WeakPolarHBondContact CG2-OG 3.46Å; S1159-S1163 VanDerWaalsContact O-CB 3.24Å; S1159-S1163 WeakPolarHBondContact O-CB 3.45Å; S1159-S1163 PolarHBondContact O-N 3.5Å; S1159-S1163 PolarHBondContact O-OG 2.81Å; C1160-S1163 PolarHBondContact O-N 3.41Å; G1161-S1163 PolarHBondContact O-N 3.43Å; G1161-S1163 VanDerWaalsContact O-N 3.11Å; S1163-C1167 WeakPolarHBondContact O-CB 3.34Å; S1163-C1167 PolarHBondContact O-N 3.14Å; S1163-C1167 VanDerWaalsContact O-N 3.15Å; S1163-C1167 PolarHBondContact O-SG 3Å
1164	V	91.6	Very high	89.9	Confident	0 Å²	0	4 Å²	4	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-64.5	-40.3	173.8	179.3	0	0	0	0	110.7	I1108 I1130 C1160 G1161 I1162 F1166 C1167 S1168	I1108-V1164 HydrophobicContact CD1-CG2 3.57Å; I1108-V1164 HydrophobicContact CG1-CG2 3.94Å; I1108-V1164 HydrophobicContact CG2-CG2 3.83Å; I1130-V1164 HydrophobicContact CD1-CG2 3.82Å; C1160-V1164 WeakPolarHBondContact O-CG2 3.33Å; C1160-V1164 PolarHBondContact O-N 3.48Å; G1161-V1164 WeakPolarHBondContact O-CA 2.87Å; G1161-V1164 WeakPolarHBondContact O-CB 2.98Å; G1161-V1164 PolarHBondContact O-N 3.09Å; I1162-V1164 PolarHBondContact O-N 3.11Å; V1164-F1166 PolarHBondContact O-N 3.28Å; V1164-C1167 PolarHBondContact O-N 2.85Å; V1164-S1168 WeakPolarHBondContact O-CB 3.49Å; V1164-S1168 PolarHBondContact O-N 3.47Å; V1164-S1168 PolarHBondContact O-OG 3.04Å
1165	E	89.3	Confident	89.8	Confident	3 Å²	3	4 Å²	4	1%	0.014	2%	0.024	C	C	.	.	H	α-helix	trans	-62.2	-44.2	178.9	-67	-63.7	168.2	0	0	111.6	S745 E749 I1162 C1167 H1169 I1201	S745-E1165 VanDerWaalsContact CB-CD 3.45Å; S745-E1165 WeakPolarHBondContact CB-OE1 3.46Å; S745-E1165 VanDerWaalsContact CB-OE2 3.25Å; S745-E1165 WeakPolarHBondContact CB-OE2 3.27Å; S745-E1165 PolarHBondContact OG-OE1 3.26Å; S745-E1165 PolarHBondContact OG-OE2 3.25Å; S745-E1165 VanDerWaalsContact OG-OE2 3.11Å; E749-E1165 WeakPolarHBondContact OE1-CG 3.18Å; I1162-E1165 PolarHBondContact O-N 3.16Å; E1165-C1167 PolarHBondContact O-N 3.24Å; E1165-H1169 IonicContact OE2-CD2 3.98Å; E1165-H1169 IonicContact OE2-CE1 2.9Å; E1165-H1169 IonicContact OE2-NE2 3.86Å; E1165-H1169 PolarHBondContact OE2-NE2 2.9Å; E1165-H1169 VanDerWaalsContact OE2-NE2 3.09Å; E1165-I1201 HydrophobicContact CB-CD1 3.54Å
1166	F	90.5	Very high	89.5	Confident	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-63.8	-37.9	176.1	-72.9	-68.1	0	0	0	113.4	I1162 V1164 I1170 V1197 I1201 A1236	I1162-F1166 HydrophobicContact CG2-CD2 4.16Å; I1162-F1166 HydrophobicContact CG2-CE2 3.73Å; I1162-F1166 WeakPolarHBondContact O-CD2 3.28Å; V1164-F1166 PolarHBondContact O-N 3.28Å; F1166-I1170 WeakPolarHBondContact O-CG1 3.29Å; F1166-V1197 HydrophobicContact CD1-CG1 3.58Å; F1166-V1197 HydrophobicContact CE1-CG1 3.97Å; F1166-I1201 HydrophobicContact CD1-CD1 4.34Å; F1166-I1201 HydrophobicContact CE1-CB 3.99Å; F1166-I1201 HydrophobicContact CE1-CD1 4.2Å; F1166-I1201 HydrophobicContact CE1-CG2 4.04Å; F1166-I1201 HydrophobicContact CE2-CG2 3.97Å; F1166-I1201 HydrophobicContact CZ-CB 3.93Å; F1166-I1201 HydrophobicContact CZ-CD1 4.38Å; F1166-I1201 HydrophobicContact CZ-CG2 3.44Å; F1166-I1201 VanDerWaalsContact CZ-CG2 3.44Å; F1166-A1236 HydrophobicContact CE1-CB 4.05Å; F1166-A1236 HydrophobicContact CZ-CB 4.32Å
1167	C	92.4	Very high	89.1	Confident	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-92.5	-45.9	-171	-62.1	0	0	0	0	113.5	V1126 S1163 V1164 E1165 H1169 I1170 V1171 L1243	V1126-C1167 HydrophobicContact CG1-CB 4.01Å; S1163-C1167 WeakPolarHBondContact O-CB 3.34Å; S1163-C1167 PolarHBondContact O-N 3.14Å; S1163-C1167 VanDerWaalsContact O-N 3.15Å; S1163-C1167 PolarHBondContact O-SG 3Å; V1164-C1167 PolarHBondContact O-N 2.85Å; E1165-C1167 PolarHBondContact O-N 3.24Å; C1167-H1169 PolarHBondContact O-N 3.43Å; C1167-I1170 PolarHBondContact O-N 3.23Å; C1167-V1171 WeakPolarHBondContact O-CG2 3.41Å; C1167-V1171 PolarHBondContact O-N 3.09Å; C1167-L1243 HydrophobicContact CB-CD2 3.96Å
1168	S	90	Very high	88.7	Confident	1 Å²	1	10.1 Å²	10.1	1%	0.007	6%	0.062	C	C	.	.	H	α-helix	trans	-64.5	-41.2	-169.2	68.2	0	0	0	0	112.4	V1164 V1171 R1172	V1164-S1168 WeakPolarHBondContact O-CB 3.49Å; V1164-S1168 PolarHBondContact O-N 3.47Å; V1164-S1168 PolarHBondContact O-OG 3.04Å; S1168-V1171 PolarHBondContact O-N 3.47Å; S1168-R1172 VanDerWaalsContact O-CB 3.3Å; S1168-R1172 WeakPolarHBondContact O-CB 3.3Å; S1168-R1172 PolarHBondContact O-N 3.01Å
1169	H	89.7	Confident	88.4	Confident	1 Å²	1	14.6 Å²	14.6	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-65.8	-42.1	179.9	-68.5	-15.4	0	0	0	112.8	D707 I711 S741 S745 E1165 C1167 A1173 V1197	D707-H1169 IonicContact OD2-CD2 2.76Å; D707-H1169 IonicContact OD2-NE2 3.01Å; I711-H1169 WeakPolarHBondContact CD1-CD2 3.45Å; I711-H1169 WeakPolarHBondContact CD1-NE2 3.38Å; S741-H1169 PolarHBondContact O-CE1 3.18Å; S741-H1169 PolarHBondContact OG-ND1 3.34Å; S745-H1169 PolarHBondContact OG-CE1 3.11Å; E1165-H1169 IonicContact OE2-CD2 3.98Å; E1165-H1169 IonicContact OE2-CE1 2.9Å; E1165-H1169 IonicContact OE2-NE2 3.86Å; E1165-H1169 PolarHBondContact OE2-NE2 2.9Å; E1165-H1169 VanDerWaalsContact OE2-NE2 3.09Å; C1167-H1169 PolarHBondContact O-N 3.43Å; H1169-A1173 WeakPolarHBondContact O-CB 3.33Å; H1169-A1173 PolarHBondContact O-N 2.66Å; H1169-V1197 HydrophobicContact CB-CG2 4.31Å
1170	I	91.6	Very high	87.7	Confident	2 Å²	2	24.4 Å²	24.4	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-67	-46.3	177.2	-58.1	-62.1	0	0	0	110.7	F1166 C1167 A1173 F1174 M1193 L1240 L1243 L1247	F1166-I1170 WeakPolarHBondContact O-CG1 3.29Å; C1167-I1170 PolarHBondContact O-N 3.23Å; I1170-A1173 PolarHBondContact O-N 2.89Å; I1170-F1174 WeakPolarHBondContact O-CB 3Å; I1170-F1174 PolarHBondContact O-N 2.83Å; I1170-M1193 HydrophobicContact CD1-CB 3.89Å; I1170-L1240 HydrophobicContact CD1-CD2 4.4Å; I1170-L1243 HydrophobicContact CB-CD2 4.08Å; I1170-L1243 HydrophobicContact CG2-CD2 4.21Å; I1170-L1247 HydrophobicContact CG2-CD1 4.24Å
1171	V	91.8	Very high	87.5	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.6	-41.3	179.8	173.3	0	0	0	0	111.5	L1116 V1126 C1167 S1168 F1174 S1175 L1243 L1247	L1116-V1171 HydrophobicContact CD1-CG1 4.31Å; V1126-V1171 HydrophobicContact CG2-CB 3.82Å; V1126-V1171 HydrophobicContact CG2-CG1 3.98Å; V1126-V1171 HydrophobicContact CG2-CG2 3.56Å; C1167-V1171 WeakPolarHBondContact O-CG2 3.41Å; C1167-V1171 PolarHBondContact O-N 3.09Å; S1168-V1171 PolarHBondContact O-N 3.47Å; V1171-F1174 WeakPolarHBondContact O-CB 3.43Å; V1171-F1174 PolarHBondContact O-N 3.14Å; V1171-S1175 WeakPolarHBondContact O-CB 3.47Å; V1171-S1175 PolarHBondContact O-N 2.84Å; V1171-L1243 HydrophobicContact CG2-CD1 3.93Å; V1171-L1243 HydrophobicContact CG2-CD2 4.03Å; V1171-L1243 HydrophobicContact CG2-CG 4.3Å; V1171-L1247 HydrophobicContact CG2-CD1 4.14Å; V1171-L1247 HydrophobicContact CG2-CD2 4.31Å
1172	R	88.5	Confident	87.4	Confident	29 Å²	29	31 Å²	31	11%	0.109	15%	0.154	C	C	.	.	H	α-helix	trans	-62.6	-47.5	176.2	-173.8	177.5	177	-95.1	-11.8	111.1	E339 D737 L1116 S1168 F1174 S1175 V1176	E339-R1172 IonicContact OE1-CZ 3.59Å; E339-R1172 IonicContact OE1-NE 2.62Å; E339-R1172 IonicContact OE1-NH2 3.75Å; E339-R1172 PolarHBondContact OE1-NH2 3.4Å; D737-R1172 PolarHBondContact O-NH1 3.37Å; L1116-R1172 HydrophobicContact CD2-CB 3.9Å; L1116-R1172 HydrophobicContact CD2-CG 3.84Å; S1168-R1172 VanDerWaalsContact O-CB 3.3Å; S1168-R1172 WeakPolarHBondContact O-CB 3.3Å; S1168-R1172 PolarHBondContact O-N 3.01Å; R1172-F1174 PolarHBondContact O-N 2.97Å; R1172-S1175 PolarHBondContact O-N 3.18Å; R1172-V1176 HydrophobicContact CG-CG2 4.25Å; R1172-V1176 WeakPolarHBondContact O-CG2 3.41Å; R1172-V1176 PolarHBondContact O-N 2.66Å
1173	A	88.1	Confident	87.5	Confident	27 Å²	27	32.6 Å²	32.6	22%	0.223	16%	0.164	C	C	.	.	H	α-helix	trans	-60.2	-35.8	177.2	0	0	0	0	0	112.5	H1169 I1170 S1177 A1189 M1193	H1169-A1173 WeakPolarHBondContact O-CB 3.33Å; H1169-A1173 PolarHBondContact O-N 2.66Å; I1170-A1173 PolarHBondContact O-N 2.89Å; A1173-S1177 PolarHBondContact O-N 3.42Å; A1173-A1189 HydrophobicContact CB-CB 3.92Å; A1173-M1193 HydrophobicContact CB-CB 4.29Å; A1173-M1193 HydrophobicContact CB-CG 3.47Å; A1173-M1193 VanDerWaalsContact CB-CG 3.47Å
1174	F	90	Very high	87.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.3	-44.2	173.5	179.7	-89.2	0	0	0	113.2	I1170 V1171 R1172 S1177 R1182 R1185 A1186 A1189 L1247 P1252	I1170-F1174 WeakPolarHBondContact O-CB 3Å; I1170-F1174 PolarHBondContact O-N 2.83Å; V1171-F1174 WeakPolarHBondContact O-CB 3.43Å; V1171-F1174 PolarHBondContact O-N 3.14Å; R1172-F1174 PolarHBondContact O-N 2.97Å; F1174-S1177 PolarHBondContact O-N 3.23Å; F1174-R1182 WeakPolarHBondContact CE2-O 3.35Å; F1174-R1182 HydrophobicContact CZ-CB 4.41Å; F1174-R1182 HydrophobicContact CZ-CG 4.47Å; F1174-R1185 HydrophobicContact CD2-CB 3.77Å; F1174-R1185 HydrophobicContact CE2-CB 3.63Å; F1174-R1185 HydrophobicContact CZ-CB 4.33Å; F1174-A1186 HydrophobicContact CD2-CB 4.13Å; F1174-A1186 HydrophobicContact CE2-CB 3.99Å; F1174-A1189 HydrophobicContact CB-CB 4.12Å; F1174-L1247 HydrophobicContact CB-CD1 4.02Å; F1174-L1247 HydrophobicContact CD1-CD2 4.06Å; F1174-L1247 HydrophobicContact CD2-CB 4.12Å; F1174-L1247 HydrophobicContact CD2-CD1 4.27Å; F1174-L1247 HydrophobicContact CE1-CB 4.48Å; F1174-L1247 HydrophobicContact CE1-CD2 4.32Å; F1174-L1247 HydrophobicContact CE2-CB 4.01Å; F1174-L1247 HydrophobicContact CG-CB 4.38Å; F1174-L1247 HydrophobicContact CG-CD1 4.02Å; F1174-L1247 HydrophobicContact CG-CD2 4.39Å; F1174-L1247 HydrophobicContact CZ-CB 4.2Å; F1174-P1252 HydrophobicContact CD1-CG 4.47Å; F1174-P1252 HydrophobicContact CE1-CG 4.16Å
1175	S	85.9	Confident	87.2	Confident	3 Å²	3	37 Å²	37	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-65.5	-37.6	-179.6	168.6	0	0	0	0	112.1	E1119 V1171 R1172	E1119-S1175 PolarHBondContact OE2-OG 2.83Å; V1171-S1175 WeakPolarHBondContact O-CB 3.47Å; V1171-S1175 PolarHBondContact O-N 2.84Å; R1172-S1175 PolarHBondContact O-N 3.18Å
1176	V	82.7	Confident	87.3	Confident	59 Å²	59	37 Å²	37	36%	0.358	19%	0.185	S	C	.	.	H	α-helix	trans	-83	-15.7	-177.7	-179.7	0	0	0	0	113	E339 R1172	E339-V1176 VanDerWaalsContact OE1-CG2 3.27Å; E339-V1176 WeakPolarHBondContact OE1-CG2 3.25Å; R1172-V1176 HydrophobicContact CG-CG2 4.25Å; R1172-V1176 WeakPolarHBondContact O-CG2 3.41Å; R1172-V1176 PolarHBondContact O-N 2.66Å
1177	S	84.1	Confident	87.4	Confident	12 Å²	12	40 Å²	40	8%	0.084	20%	0.199	C	C	.	.			trans	-65	141.2	-178.9	174.2	0	0	0	0	113.2	A1173 F1174 K1179 R1185 E1188	A1173-S1177 PolarHBondContact O-N 3.42Å; F1174-S1177 PolarHBondContact O-N 3.23Å; S1177-K1179 PolarHBondContact OG-N 3.39Å; S1177-R1185 WeakPolarHBondContact OG-CG 3Å; S1177-E1188 WeakPolarHBondContact CB-OE2 3.27Å; S1177-E1188 PolarHBondContact OG-OE2 3.41Å
1178	T	81	Confident	87.2	Confident	62 Å²	62	43 Å²	43	38%	0.38	21%	0.213	S	C	.	.			trans	-95.6	2.4	-179.9	57.7	0	0	0	0	114	V1259 A1262	T1178-V1259 HydrophobicContact CG2-CG2 4.5Å; T1178-A1262 HydrophobicContact CG2-CB 3.7Å
1179	K	80.4	Confident	87.3	Confident	93 Å²	93	43.1 Å²	43.1	40%	0.404	21%	0.214	S	C	.	.			trans	-65.6	150.4	179.3	-56.2	-71.3	-175.7	178.2	0	111.6	S1177 E1184 R1185 E1188	S1177-K1179 PolarHBondContact OG-N 3.39Å; K1179-E1184 HydrophobicContact CB-CB 3.87Å; K1179-E1184 HydrophobicContact CG-CB 4.32Å; K1179-R1185 HydrophobicContact CB-CG 3.62Å; K1179-R1185 WeakPolarHBondContact O-CD 3.44Å; K1179-R1185 WeakPolarHBondContact O-CG 3.14Å; K1179-E1188 WeakPolarHBondContact CE-OE1 3.42Å; K1179-E1188 VanDerWaalsContact CG-OE2 3.32Å; K1179-E1188 WeakPolarHBondContact CG-OE2 3.48Å
1180	K	77.2	Confident	87.4	Confident	206 Å²	206	43.1 Å²	43.1	90%	0.896	21%	0.214	S	C	*	.	S	Bend	trans	-74.4	-42.6	-170.1	-66.3	179.8	-178.1	173.6	0	112.6
1181	S	84.9	Confident	87.3	Confident	39 Å²	39	43.2 Å²	43.2	27%	0.273	22%	0.215	S	C	.	.	S	Bend	trans	-95.5	149.9	-177.5	76.6	0	0	0	0	112.3	V1183 E1184 R1185	S1181-V1183 PolarHBondContact O-N 2.92Å; S1181-E1184 PolarHBondContact O-N 3.38Å; S1181-E1184 WeakPolarHBondContact OG-CB 3.11Å; S1181-E1184 WeakPolarHBondContact OG-CG 3.06Å; S1181-E1184 PolarHBondContact OG-N 2.97Å; S1181-E1184 VanDerWaalsContact OG-N 3.11Å; S1181-E1184 PolarHBondContact OG-OE1 3.34Å; S1181-R1185 WeakPolarHBondContact O-CG 3.45Å; S1181-R1185 PolarHBondContact O-N 3.15Å; S1181-R1185 VanDerWaalsContact O-N 3.13Å
1182	R	86.3	Confident	87	Confident	102 Å²	102	46.7 Å²	46.7	39%	0.385	23%	0.231	S	C	.	.	H	α-helix	trans	-59.7	-33.9	172.8	-71	179.3	-179.4	169.9	0.6	111.8	F1174 A1186 Y1249 G1251	F1174-R1182 WeakPolarHBondContact CE2-O 3.35Å; F1174-R1182 HydrophobicContact CZ-CB 4.41Å; F1174-R1182 HydrophobicContact CZ-CG 4.47Å; R1182-A1186 WeakPolarHBondContact O-CB 3.38Å; R1182-A1186 PolarHBondContact O-N 3.09Å; R1182-Y1249 PolarHBondContact NH1-O 3.44Å; R1182-G1251 PolarHBondContact NE-O 2.76Å; R1182-G1251 PolarHBondContact NH2-O 2.76Å
1183	V	89.5	Confident	87	Confident	46 Å²	46	46.8 Å²	46.8	28%	0.279	23%	0.233	S	C	.	.	H	α-helix	trans	-69.1	-48.2	-179.4	-178.5	0	0	0	0	110.8	L835 S1181 R1185 A1186 E1187	L835-V1183 HydrophobicContact CB-CG1 4.1Å; S1181-V1183 PolarHBondContact O-N 2.92Å; V1183-R1185 VanDerWaalsContact C-N 3.32Å; V1183-R1185 PolarHBondContact O-N 2.04Å; V1183-A1186 PolarHBondContact O-N 3.16Å; V1183-E1187 WeakPolarHBondContact O-CB 3.04Å; V1183-E1187 PolarHBondContact O-N 3.31Å
1184	E	88.6	Confident	87	Confident	89 Å²	89	45.5 Å²	45.5	42%	0.416	22%	0.222	S	C	.	.	H	α-helix	trans	-62.4	-38.8	177.3	-74.8	156.4	-129.8	0	0	112.4	K1179 S1181 E1187 E1188	K1179-E1184 HydrophobicContact CB-CB 3.87Å; K1179-E1184 HydrophobicContact CG-CB 4.32Å; S1181-E1184 PolarHBondContact O-N 3.38Å; S1181-E1184 WeakPolarHBondContact OG-CB 3.11Å; S1181-E1184 WeakPolarHBondContact OG-CG 3.06Å; S1181-E1184 PolarHBondContact OG-N 2.97Å; S1181-E1184 VanDerWaalsContact OG-N 3.11Å; S1181-E1184 PolarHBondContact OG-OE1 3.34Å; E1184-E1187 PolarHBondContact O-N 3.32Å; E1184-E1188 WeakPolarHBondContact O-CB 3.5Å; E1184-E1188 PolarHBondContact O-N 2.69Å
1185	R	89.1	Confident	86.9	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.015	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-42	175.1	-70.9	-167.7	-71.6	153.6	5.1	112	F1174 S1177 K1179 S1181 V1183 E1187 A1189 P1252	F1174-R1185 HydrophobicContact CD2-CB 3.77Å; F1174-R1185 HydrophobicContact CE2-CB 3.63Å; F1174-R1185 HydrophobicContact CZ-CB 4.33Å; S1177-R1185 WeakPolarHBondContact OG-CG 3Å; K1179-R1185 HydrophobicContact CB-CG 3.62Å; K1179-R1185 WeakPolarHBondContact O-CD 3.44Å; K1179-R1185 WeakPolarHBondContact O-CG 3.14Å; S1181-R1185 WeakPolarHBondContact O-CG 3.45Å; S1181-R1185 PolarHBondContact O-N 3.15Å; S1181-R1185 VanDerWaalsContact O-N 3.13Å; V1183-R1185 VanDerWaalsContact C-N 3.32Å; V1183-R1185 PolarHBondContact O-N 2.04Å; R1185-E1187 VanDerWaalsContact C-N 3.34Å; R1185-A1189 VanDerWaalsContact O-CB 3.28Å; R1185-A1189 WeakPolarHBondContact O-CB 3.42Å; R1185-A1189 PolarHBondContact O-N 3.19Å; R1185-P1252 PolarHBondContact NH1-O 3.11Å; R1185-P1252 PolarHBondContact NH2-O 3.31Å
1186	A	91	Very high	86.9	Confident	2 Å²	2	45.3 Å²	45.3	2%	0.017	22%	0.221	C	C	.	.	H	α-helix	trans	-65.4	-38.9	175.9	0	0	0	0	0	111.6	L835 F1174 R1182 V1183 L1190	L835-A1186 HydrophobicContact CD1-CB 4.01Å; L835-A1186 HydrophobicContact CD2-CB 4.12Å; F1174-A1186 HydrophobicContact CD2-CB 4.13Å; F1174-A1186 HydrophobicContact CE2-CB 3.99Å; R1182-A1186 WeakPolarHBondContact O-CB 3.38Å; R1182-A1186 PolarHBondContact O-N 3.09Å; V1183-A1186 PolarHBondContact O-N 3.16Å; A1186-L1190 WeakPolarHBondContact O-CB 3.49Å; A1186-L1190 PolarHBondContact O-N 3.23Å
1187	E	92.1	Very high	87.2	Confident	64 Å²	64	42.5 Å²	42.5	30%	0.299	20%	0.204	S	C	.	.	H	α-helix	trans	-65.1	-46	177.5	-167	-178.9	156.5	0	0	111.7	A831 L835 V1183 E1184 R1185 L1190 A1191	A831-E1187 HydrophobicContact CB-CG 3.78Å; L835-E1187 VanDerWaalsContact CD1-CA 3.47Å; L835-E1187 HydrophobicContact CD1-CB 3.61Å; L835-E1187 HydrophobicContact CD1-CG 4.24Å; V1183-E1187 WeakPolarHBondContact O-CB 3.04Å; V1183-E1187 PolarHBondContact O-N 3.31Å; E1184-E1187 PolarHBondContact O-N 3.32Å; R1185-E1187 VanDerWaalsContact C-N 3.34Å; E1187-L1190 PolarHBondContact O-N 3.37Å; E1187-A1191 VanDerWaalsContact O-CB 3.29Å; E1187-A1191 WeakPolarHBondContact O-CB 3.34Å; E1187-A1191 PolarHBondContact O-N 2.96Å
1188	E	89.3	Confident	87.5	Confident	63 Å²	63	45 Å²	45	29%	0.294	21%	0.214	S	C	.	.	H	α-helix	trans	-63.7	-47.9	177.2	-177.2	177.2	-133.3	0	0	111.6	S1177 K1179 E1184 L1190 A1191 H1192	S1177-E1188 WeakPolarHBondContact CB-OE2 3.27Å; S1177-E1188 PolarHBondContact OG-OE2 3.41Å; K1179-E1188 WeakPolarHBondContact CE-OE1 3.42Å; K1179-E1188 VanDerWaalsContact CG-OE2 3.32Å; K1179-E1188 WeakPolarHBondContact CG-OE2 3.48Å; E1184-E1188 WeakPolarHBondContact O-CB 3.5Å; E1184-E1188 PolarHBondContact O-N 2.69Å; E1188-L1190 VanDerWaalsContact C-N 3.34Å; E1188-L1190 PolarHBondContact O-N 3.24Å; E1188-A1191 PolarHBondContact O-N 2.64Å; E1188-H1192 WeakPolarHBondContact O-CB 2.86Å; E1188-H1192 PolarHBondContact O-CD2 2.7Å; E1188-H1192 PolarHBondContact O-N 3.33Å
1189	A	91.1	Very high	87.7	Confident	3 Å²	3	42.6 Å²	42.6	3%	0.025	20%	0.2	C	C	.	.	H	α-helix	trans	-59.8	-44.2	178.2	0	0	0	0	0	111.6	A1173 F1174 R1185 M1193 G1194	A1173-A1189 HydrophobicContact CB-CB 3.92Å; F1174-A1189 HydrophobicContact CB-CB 4.12Å; R1185-A1189 VanDerWaalsContact O-CB 3.28Å; R1185-A1189 WeakPolarHBondContact O-CB 3.42Å; R1185-A1189 PolarHBondContact O-N 3.19Å; A1189-M1193 PolarHBondContact O-N 2.73Å; A1189-G1194 PolarHBondContact O-N 3.14Å
1190	L	92.3	Very high	87.7	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.18	C	C	.	.	I	π-helix	trans	-67.9	-38.7	178.1	-176.2	59.1	0	0	0	112.3	F826 Y830 A831 A1186 E1187 E1188 G1194 L1240 P1244	F826-L1190 HydrophobicContact CE1-CD1 4.44Å; Y830-L1190 HydrophobicContact CD1-CD2 4.17Å; Y830-L1190 HydrophobicContact CD1-CG 4.47Å; Y830-L1190 HydrophobicContact CE1-CD1 4.34Å; Y830-L1190 HydrophobicContact CE1-CD2 4.13Å; Y830-L1190 HydrophobicContact CE1-CG 4.47Å; A831-L1190 HydrophobicContact CB-CB 4.29Å; A831-L1190 HydrophobicContact CB-CD2 3.88Å; A831-L1190 HydrophobicContact CB-CG 4.15Å; A1186-L1190 WeakPolarHBondContact O-CB 3.49Å; A1186-L1190 PolarHBondContact O-N 3.23Å; E1187-L1190 PolarHBondContact O-N 3.37Å; E1188-L1190 VanDerWaalsContact C-N 3.34Å; E1188-L1190 PolarHBondContact O-N 3.24Å; L1190-G1194 WeakPolarHBondContact O-CA 3.04Å; L1190-G1194 PolarHBondContact O-N 3.37Å; L1190-G1194 VanDerWaalsContact O-N 3.08Å; L1190-L1240 HydrophobicContact CD1-CD2 4.4Å; L1190-P1244 HydrophobicContact CB-CG 4.49Å; L1190-P1244 HydrophobicContact CD1-CG 3.83Å; L1190-P1244 HydrophobicContact CD2-CB 4.11Å; L1190-P1244 HydrophobicContact CD2-CG 4.04Å; L1190-P1244 HydrophobicContact CG-CG 4.35Å
1191	A	88.9	Confident	88	Confident	5 Å²	5	28.6 Å²	28.6	4%	0.041	14%	0.139	C	C	.	.	I	π-helix	trans	-67.4	-46.4	178.5	0	0	0	0	0	112	F823 K827 E1187 E1188 S1195	F823-A1191 WeakPolarHBondContact CD2-O 3.38Å; K827-A1191 HydrophobicContact CB-CB 4.16Å; E1187-A1191 VanDerWaalsContact O-CB 3.29Å; E1187-A1191 WeakPolarHBondContact O-CB 3.34Å; E1187-A1191 PolarHBondContact O-N 2.96Å; E1188-A1191 PolarHBondContact O-N 2.64Å; A1191-S1195 WeakPolarHBondContact O-CB 3.39Å; A1191-S1195 PolarHBondContact O-OG 3.21Å
1192	H	85.6	Confident	88.1	Confident	73 Å²	73	27.3 Å²	27.3	34%	0.338	13%	0.129	S	C	.	.	I	π-helix	trans	-77.4	-60.6	-177.2	-79.9	-84.1	0	0	0	112.7	R718 F823 E1188 S1195	R718-H1192 PolarHBondContact NH1-O 2.92Å; F823-H1192 AromaticContact CE2-CE1 3.77Å; F823-H1192 AromaticContact CE2-CG 4Å; F823-H1192 AromaticContact CE2-ND1 3.72Å; F823-H1192 AromaticContact CZ-CE1 3.6Å; F823-H1192 AromaticContact CZ-NE2 3.82Å; E1188-H1192 WeakPolarHBondContact O-CB 2.86Å; E1188-H1192 PolarHBondContact O-CD2 2.7Å; E1188-H1192 PolarHBondContact O-N 3.33Å; H1192-S1195 PolarHBondContact O-OG 3.38Å; H1192-S1195 VanDerWaalsContact O-OG 3.05Å
1193	M	88.2	Confident	88.1	Confident	30 Å²	30	25.2 Å²	25.2	15%	0.148	13%	0.126	C	C	.	.	I	π-helix	trans	-81.3	-37.8	-176	-68.1	-57.4	96.8	0	0	111.9	I1170 A1173 A1189 S1195 S1196 V1197	I1170-M1193 HydrophobicContact CD1-CB 3.89Å; A1173-M1193 HydrophobicContact CB-CB 4.29Å; A1173-M1193 HydrophobicContact CB-CG 3.47Å; A1173-M1193 VanDerWaalsContact CB-CG 3.47Å; A1189-M1193 PolarHBondContact O-N 2.73Å; M1193-S1195 VanDerWaalsContact C-N 3.31Å; M1193-S1195 PolarHBondContact O-N 3.4Å; M1193-S1196 PolarHBondContact O-N 2.99Å; M1193-V1197 WeakPolarHBondContact O-CG2 3.35Å; M1193-V1197 PolarHBondContact O-N 3.28Å
1194	G	87.8	Confident	87.8	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.114	C	C	.	.	I	π-helix	trans	-62.1	-34.8	-178.7	0	0	0	0	0	114.1	A1189 L1190 S1196 F1198	A1189-G1194 PolarHBondContact O-N 3.14Å; L1190-G1194 WeakPolarHBondContact O-CA 3.04Å; L1190-G1194 PolarHBondContact O-N 3.37Å; L1190-G1194 VanDerWaalsContact O-N 3.08Å; G1194-S1196 VanDerWaalsContact C-N 3.34Å; G1194-F1198 WeakPolarHBondContact O-CB 3.35Å; G1194-F1198 PolarHBondContact O-N 2.76Å
1195	S	87.8	Confident	87.6	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-66.3	-35.9	173.6	56.3	0	0	0	0	112.9	R718 L822 A1191 H1192 M1193 S1199	R718-S1195 PolarHBondContact NH1-OG 2.9Å; R718-S1195 PolarHBondContact NH2-OG 3.05Å; L822-S1195 VanDerWaalsContact CD2-CB 3.47Å; L822-S1195 WeakPolarHBondContact CD2-O 3.34Å; A1191-S1195 WeakPolarHBondContact O-CB 3.39Å; A1191-S1195 PolarHBondContact O-OG 3.21Å; H1192-S1195 PolarHBondContact O-OG 3.38Å; H1192-S1195 VanDerWaalsContact O-OG 3.05Å; M1193-S1195 VanDerWaalsContact C-N 3.31Å; M1193-S1195 PolarHBondContact O-N 3.4Å; S1195-S1199 PolarHBondContact O-N 3.15Å
1196	S	87.4	Confident	87.5	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-72.8	-48.1	177.2	-62.6	0	0	0	0	111.4	Q714 R718 M1193 G1194 F1198 S1199 G1200	Q714-S1196 VanDerWaalsContact OE1-CA 3.24Å; Q714-S1196 VanDerWaalsContact OE1-CB 3.32Å; Q714-S1196 PolarHBondContact OE1-OG 3.49Å; R718-S1196 PolarHBondContact NH1-OG 2.97Å; R718-S1196 PolarHBondContact NH2-OG 3.36Å; M1193-S1196 PolarHBondContact O-N 2.99Å; G1194-S1196 VanDerWaalsContact C-N 3.34Å; S1196-F1198 PolarHBondContact O-N 3.28Å; S1196-S1199 PolarHBondContact O-N 3.28Å; S1196-G1200 WeakPolarHBondContact O-CA 3.48Å; S1196-G1200 PolarHBondContact O-N 2.85Å
1197	V	88.1	Confident	87	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.2	-40.7	177.7	173	0	0	0	0	111.9	F1166 H1169 M1193 I1201 T1202 L1240	F1166-V1197 HydrophobicContact CD1-CG1 3.58Å; F1166-V1197 HydrophobicContact CE1-CG1 3.97Å; H1169-V1197 HydrophobicContact CB-CG2 4.31Å; M1193-V1197 WeakPolarHBondContact O-CG2 3.35Å; M1193-V1197 PolarHBondContact O-N 3.28Å; V1197-I1201 HydrophobicContact CG1-CD1 3.95Å; V1197-I1201 HydrophobicContact CG1-CG1 4.36Å; V1197-I1201 PolarHBondContact O-N 3.43Å; V1197-T1202 PolarHBondContact O-N 3.04Å; V1197-L1240 HydrophobicContact CG1-CD2 4.37Å
1198	F	90	Very high	86.5	Confident	65 Å²	65	21.5 Å²	21.5	29%	0.285	11%	0.112	S	C	.	.	I	π-helix	trans	-64.6	-42.1	177.7	-178.4	-103.4	0	0	0	112.5	L822 F826 G1194 S1196 T1202 L1203 L1240	L822-F1198 HydrophobicContact CD1-CD1 4.21Å; F826-F1198 HydrophobicContact CE2-CB 4.35Å; F826-F1198 HydrophobicContact CE2-CD1 4.12Å; F826-F1198 HydrophobicContact CE2-CG 4.31Å; F826-F1198 HydrophobicContact CZ-CB 3.9Å; F826-F1198 HydrophobicContact CZ-CD1 4.3Å; F826-F1198 HydrophobicContact CZ-CG 4.04Å; G1194-F1198 WeakPolarHBondContact O-CB 3.35Å; G1194-F1198 PolarHBondContact O-N 2.76Å; S1196-F1198 PolarHBondContact O-N 3.28Å; F1198-T1202 HydrophobicContact CD2-CG2 4.12Å; F1198-T1202 HydrophobicContact CE2-CG2 4.04Å; F1198-T1202 VanDerWaalsContact O-CB 3.28Å; F1198-T1202 WeakPolarHBondContact O-CB 3.38Å; F1198-T1202 PolarHBondContact O-N 2.63Å; F1198-L1203 HydrophobicContact CD1-CD1 4.27Å; F1198-L1203 HydrophobicContact CD1-CG 4.45Å; F1198-L1203 HydrophobicContact CE1-CD1 3.92Å; F1198-L1203 HydrophobicContact CE1-CD2 4.3Å; F1198-L1203 HydrophobicContact CE1-CG 4.06Å; F1198-L1203 HydrophobicContact CZ-CD2 4.24Å; F1198-L1203 HydrophobicContact CZ-CG 4.35Å; F1198-L1203 PolarHBondContact O-N 3.28Å; F1198-L1203 VanDerWaalsContact O-N 3.13Å; F1198-L1240 HydrophobicContact CB-CD1 3.87Å; F1198-L1240 HydrophobicContact CD2-CD1 3.76Å; F1198-L1240 HydrophobicContact CG-CD1 4.28Å
1199	S	85.1	Confident	86.4	Confident	11 Å²	11	18.6 Å²	18.6	8%	0.077	10%	0.098	C	C	.	.	I	π-helix	trans	-77.8	-34.2	178	-171.1	0	0	0	0	113	Y641 S1195 S1196	Y641-S1199 PolarHBondContact OH-O 2.64Å; Y641-S1199 PolarHBondContact OH-OG 3.22Å; S1195-S1199 PolarHBondContact O-N 3.15Å; S1196-S1199 PolarHBondContact O-N 3.28Å
1200	G	80.5	Confident	86.2	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	I	π-helix	trans	-78.7	-48.2	-175.1	0	0	0	0	0	112.6	S1196 T1204	S1196-G1200 WeakPolarHBondContact O-CA 3.48Å; S1196-G1200 PolarHBondContact O-N 2.85Å; G1200-T1204 WeakPolarHBondContact O-CB 3.38Å; G1200-T1204 WeakPolarHBondContact O-CG2 3.41Å; G1200-T1204 PolarHBondContact O-OG1 2.76Å
1201	I	83.9	Confident	86	Confident	4 Å²	4	24.7 Å²	24.7	2%	0.021	13%	0.129	C	C	.	.	I	π-helix	trans	-99.1	-54.4	-178.5	-45.6	-177.2	0	0	0	111.9	D707 E1165 F1166 V1197 T1204 K1205	D707-I1201 HydrophobicContact CB-CD1 4.18Å; D707-I1201 HydrophobicContact CB-CG1 3.66Å; D707-I1201 VanDerWaalsContact OD1-CG1 3.23Å; D707-I1201 WeakPolarHBondContact OD1-CG1 3.36Å; D707-I1201 VanDerWaalsContact OD2-CD1 3.3Å; D707-I1201 WeakPolarHBondContact OD2-CD1 3.48Å; D707-I1201 WeakPolarHBondContact OD2-CG1 3.47Å; E1165-I1201 HydrophobicContact CB-CD1 3.54Å; F1166-I1201 HydrophobicContact CD1-CD1 4.34Å; F1166-I1201 HydrophobicContact CE1-CB 3.99Å; F1166-I1201 HydrophobicContact CE1-CD1 4.2Å; F1166-I1201 HydrophobicContact CE1-CG2 4.04Å; F1166-I1201 HydrophobicContact CE2-CG2 3.97Å; F1166-I1201 HydrophobicContact CZ-CB 3.93Å; F1166-I1201 HydrophobicContact CZ-CD1 4.38Å; F1166-I1201 HydrophobicContact CZ-CG2 3.44Å; F1166-I1201 VanDerWaalsContact CZ-CG2 3.44Å; V1197-I1201 HydrophobicContact CG1-CD1 3.95Å; V1197-I1201 HydrophobicContact CG1-CG1 4.36Å; V1197-I1201 PolarHBondContact O-N 3.43Å; I1201-T1204 PolarHBondContact O-OG1 3.13Å; I1201-K1205 HydrophobicContact CG2-CG 4.46Å; I1201-K1205 VanDerWaalsContact O-CB 3.32Å; I1201-K1205 WeakPolarHBondContact O-CB 3.43Å; I1201-K1205 WeakPolarHBondContact O-CG 3.47Å; I1201-K1205 PolarHBondContact O-N 3.4Å; I1201-K1205 VanDerWaalsContact O-N 3.14Å
1202	T	86.6	Confident	85.7	Confident	12 Å²	12	25.1 Å²	25.1	7%	0.074	13%	0.131	C	C	.	.	I	π-helix	trans	-66.6	-50.5	-165.6	-49	0	0	0	0	111.5	V1197 F1198 F1206 V1232 A1236	V1197-T1202 PolarHBondContact O-N 3.04Å; F1198-T1202 HydrophobicContact CD2-CG2 4.12Å; F1198-T1202 HydrophobicContact CE2-CG2 4.04Å; F1198-T1202 VanDerWaalsContact O-CB 3.28Å; F1198-T1202 WeakPolarHBondContact O-CB 3.38Å; F1198-T1202 PolarHBondContact O-N 2.63Å; T1202-F1206 WeakPolarHBondContact O-CB 3.28Å; T1202-F1206 PolarHBondContact O-N 3.39Å; T1202-V1232 HydrophobicContact CG2-CG1 4.38Å; T1202-A1236 HydrophobicContact CG2-CB 3.84Å
1203	L	86.4	Confident	85.7	Confident	59 Å²	59	23.5 Å²	23.5	31%	0.309	13%	0.13	S	C	.	.	H	α-helix	trans	-73.8	-38.3	-177.1	-69.4	177.6	0	0	0	113.5	Y641 F1198 K1205 G1207	Y641-L1203 HydrophobicContact CE2-CB 4.25Å; Y641-L1203 VanDerWaalsContact OH-CB 3.26Å; Y641-L1203 WeakPolarHBondContact OH-CB 3.48Å; F1198-L1203 HydrophobicContact CD1-CD1 4.27Å; F1198-L1203 HydrophobicContact CD1-CG 4.45Å; F1198-L1203 HydrophobicContact CE1-CD1 3.92Å; F1198-L1203 HydrophobicContact CE1-CD2 4.3Å; F1198-L1203 HydrophobicContact CE1-CG 4.06Å; F1198-L1203 HydrophobicContact CZ-CD2 4.24Å; F1198-L1203 HydrophobicContact CZ-CG 4.35Å; F1198-L1203 PolarHBondContact O-N 3.28Å; F1198-L1203 VanDerWaalsContact O-N 3.13Å; L1203-K1205 VanDerWaalsContact C-N 3.33Å; L1203-K1205 PolarHBondContact O-N 2.98Å; L1203-G1207 PolarHBondContact O-N 3.36Å
1204	T	84.2	Confident	85.7	Confident	6 Å²	6	28 Å²	28	4%	0.037	15%	0.154	C	C	.	.	H	α-helix	trans	-59.1	-46.8	176.5	53.6	0	0	0	0	110.6	Y641 I642 V706 F710 G1200 I1201 G1208	Y641-T1204 HydrophobicContact CD1-CG2 3.54Å; Y641-T1204 HydrophobicContact CE1-CG2 3.3Å; I642-T1204 HydrophobicContact CG1-CG2 4.36Å; V706-T1204 HydrophobicContact CG1-CG2 3.9Å; F710-T1204 HydrophobicContact CE2-CG2 4.43Å; G1200-T1204 WeakPolarHBondContact O-CB 3.38Å; G1200-T1204 WeakPolarHBondContact O-CG2 3.41Å; G1200-T1204 PolarHBondContact O-OG1 2.76Å; I1201-T1204 PolarHBondContact O-OG1 3.13Å; T1204-G1208 PolarHBondContact O-N 2.97Å
1205	K	83.3	Confident	85.5	Confident	5 Å²	5	28.2 Å²	28.2	2%	0.022	16%	0.155	C	C	.	.	H	α-helix	trans	-74.4	-39.7	-178.1	-68.4	-64.2	178.1	-177.6	0	113.6	F699 A703 I1201 L1203 G1207 G1208 I1209 V1232	F699-K1205 HydrophobicContact CE1-CD 4.34Å; F699-K1205 HydrophobicContact CE2-CD 3.98Å; F699-K1205 HydrophobicContact CZ-CD 3.66Å; F699-K1205 PolarHBondContact O-NZ 3.17Å; A703-K1205 VanDerWaalsContact CA-NZ 3.35Å; A703-K1205 HydrophobicContact CB-CD 4.34Å; A703-K1205 VanDerWaalsContact CB-NZ 3.3Å; I1201-K1205 HydrophobicContact CG2-CG 4.46Å; I1201-K1205 VanDerWaalsContact O-CB 3.32Å; I1201-K1205 WeakPolarHBondContact O-CB 3.43Å; I1201-K1205 WeakPolarHBondContact O-CG 3.47Å; I1201-K1205 PolarHBondContact O-N 3.4Å; I1201-K1205 VanDerWaalsContact O-N 3.14Å; L1203-K1205 VanDerWaalsContact C-N 3.33Å; L1203-K1205 PolarHBondContact O-N 2.98Å; K1205-G1207 PolarHBondContact O-N 3.07Å; K1205-G1208 PolarHBondContact O-N 3.31Å; K1205-I1209 HydrophobicContact CB-CD1 4.1Å; K1205-I1209 WeakPolarHBondContact O-CB 3.13Å; K1205-I1209 WeakPolarHBondContact O-CD1 3.49Å; K1205-I1209 VanDerWaalsContact O-CG1 3.23Å; K1205-I1209 WeakPolarHBondContact O-CG1 3.12Å; K1205-I1209 PolarHBondContact O-N 2.91Å; K1205-V1232 HydrophobicContact CB-CG1 4.23Å; K1205-V1232 HydrophobicContact CB-CG2 3.84Å; K1205-V1232 HydrophobicContact CG-CG2 4.42Å
1206	F	86.9	Confident	85.1	Confident	88 Å²	88	35.7 Å²	35.7	39%	0.386	19%	0.188	S	C	.	.	H	α-helix	trans	-56.7	-42.1	176.4	-172.2	-98.1	0	0	0	111.6	T1202 L1210 L1229	T1202-F1206 WeakPolarHBondContact O-CB 3.28Å; T1202-F1206 PolarHBondContact O-N 3.39Å; F1206-L1210 HydrophobicContact CZ-CD1 4.33Å; F1206-L1210 WeakPolarHBondContact O-CB 3.34Å; F1206-L1210 PolarHBondContact O-N 2.81Å; F1206-L1229 HydrophobicContact CD2-CD1 4.33Å; F1206-L1229 HydrophobicContact CE2-CD1 4.19Å
1207	G	81.3	Confident	84.8	Confident	28 Å²	28	35.7 Å²	35.7	29%	0.289	19%	0.188	S	C	.	.	H	α-helix	trans	-63.4	-44	176.6	0	0	0	0	0	113.9	L1203 K1205	L1203-G1207 PolarHBondContact O-N 3.36Å; K1205-G1207 PolarHBondContact O-N 3.07Å
1208	G	81	Confident	84.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-69.5	-41.9	178.8	0	0	0	0	0	113.4	S634 T1204 K1205 I1211	S634-G1208 VanDerWaalsContact OG-C 3.26Å; S634-G1208 VanDerWaalsContact OG-CA 3.26Å; S634-G1208 WeakPolarHBondContact OG-CA 3.48Å; S634-G1208 PolarHBondContact OG-O 3.3Å; T1204-G1208 PolarHBondContact O-N 2.97Å; K1205-G1208 PolarHBondContact O-N 3.31Å; G1208-I1211 PolarHBondContact O-N 2.02Å
1209	I	87.8	Confident	84.4	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-69.8	-35.9	-176.7	-65	162.7	0	0	0	111.5	F699 K1205 I1211 L1212 F1225 L1229 V1232	F699-I1209 HydrophobicContact CE2-CG1 4.28Å; F699-I1209 HydrophobicContact CZ-CD1 4.12Å; F699-I1209 HydrophobicContact CZ-CG1 3.78Å; K1205-I1209 HydrophobicContact CB-CD1 4.1Å; K1205-I1209 WeakPolarHBondContact O-CB 3.13Å; K1205-I1209 WeakPolarHBondContact O-CD1 3.49Å; K1205-I1209 VanDerWaalsContact O-CG1 3.23Å; K1205-I1209 WeakPolarHBondContact O-CG1 3.12Å; K1205-I1209 PolarHBondContact O-N 2.91Å; I1209-I1211 PolarHBondContact O-N 3.32Å; I1209-I1211 VanDerWaalsContact O-N 3.17Å; I1209-L1212 WeakPolarHBondContact O-CB 3.39Å; I1209-L1212 PolarHBondContact O-N 3.22Å; I1209-F1225 HydrophobicContact CG2-CD2 3.76Å; I1209-F1225 HydrophobicContact CG2-CE2 4.12Å; I1209-F1225 WeakPolarHBondContact O-CD2 3.36Å; I1209-L1229 HydrophobicContact CG2-CB 4.07Å; I1209-V1232 HydrophobicContact CD1-CB 4.39Å; I1209-V1232 HydrophobicContact CD1-CG2 3.65Å
1210	L	87.8	Confident	84.3	Confident	99 Å²	99	37 Å²	37	52%	0.518	20%	0.195	S	C	.	.	H	α-helix	trans	-59.5	-31.2	-179.3	-161.2	84.4	0	0	0	112.7	F1206 A1213	F1206-L1210 HydrophobicContact CZ-CD1 4.33Å; F1206-L1210 WeakPolarHBondContact O-CB 3.34Å; F1206-L1210 PolarHBondContact O-N 2.81Å; L1210-A1213 WeakPolarHBondContact O-CB 3.41Å; L1210-A1213 PolarHBondContact O-N 2.9Å
1211	I	87.3	Confident	84.7	Confident	33 Å²	33	39.9 Å²	39.9	17%	0.169	21%	0.208	C	C	.	.	H	α-helix	trans	-72.9	-31.3	177.7	-61.3	-64.9	0	0	0	111.8	T630 I633 I637 G1208 I1209 A1213 L1214	T630-I1211 HydrophobicContact CG2-CG2 4.09Å; I633-I1211 HydrophobicContact CB-CG2 4.48Å; I633-I1211 HydrophobicContact CG2-CG2 4.11Å; I637-I1211 HydrophobicContact CD1-CD1 3.53Å; I637-I1211 HydrophobicContact CD1-CG1 3.59Å; G1208-I1211 PolarHBondContact O-N 2.02Å; I1209-I1211 PolarHBondContact O-N 3.32Å; I1209-I1211 VanDerWaalsContact O-N 3.17Å; I1211-A1213 PolarHBondContact O-N 3.3Å; I1211-L1214 WeakPolarHBondContact O-CB 3.27Å; I1211-L1214 PolarHBondContact O-N 3.24Å
1212	L	82.9	Confident	85	Confident	13 Å²	13	40.5 Å²	40.5	7%	0.068	21%	0.212	C	C	.	.	H	α-helix	trans	-64.4	-20.7	175.4	-60.4	173.3	0	0	0	112	I631 I1209 L1214 S1215 F1225 Y1228	I631-L1212 HydrophobicContact CG1-CD2 4.26Å; I1209-L1212 WeakPolarHBondContact O-CB 3.39Å; I1209-L1212 PolarHBondContact O-N 3.22Å; L1212-L1214 PolarHBondContact O-N 3.44Å; L1212-L1214 VanDerWaalsContact O-N 3.15Å; L1212-S1215 VanDerWaalsContact O-CB 3.32Å; L1212-S1215 WeakPolarHBondContact O-CB 3.01Å; L1212-S1215 PolarHBondContact O-N 2.76Å; L1212-S1215 VanDerWaalsContact O-N 3.12Å; L1212-F1225 HydrophobicContact CB-CB 4.25Å; L1212-F1225 HydrophobicContact CB-CD2 4.48Å; L1212-Y1228 HydrophobicContact CD1-CD2 4.46Å
1213	A	86.1	Confident	85.1	Confident	39 Å²	39	40 Å²	40	32%	0.322	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.8	172	0	0	0	0	0	113.5	L1210 I1211 F1225	L1210-A1213 WeakPolarHBondContact O-CB 3.41Å; L1210-A1213 PolarHBondContact O-N 2.9Å; I1211-A1213 PolarHBondContact O-N 3.3Å; A1213-F1225 HydrophobicContact CB-CD1 4.34Å; A1213-F1225 HydrophobicContact CB-CD2 3.88Å; A1213-F1225 HydrophobicContact CB-CE1 4Å; A1213-F1225 HydrophobicContact CB-CE2 3.52Å; A1213-F1225 HydrophobicContact CB-CG 4.28Å; A1213-F1225 HydrophobicContact CB-CZ 3.58Å
1214	L	86.9	Confident	85.3	Confident	126 Å²	126	37.6 Å²	37.6	66%	0.66	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	0.3	179.6	-57.3	175.6	0	0	0	113.1	I1211 L1212	I1211-L1214 WeakPolarHBondContact O-CB 3.27Å; I1211-L1214 PolarHBondContact O-N 3.24Å; L1212-L1214 PolarHBondContact O-N 3.44Å; L1212-L1214 VanDerWaalsContact O-N 3.15Å
1215	S	83.3	Confident	85.6	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.021	20%	0.202	C	C	.	.			trans	-59.3	148.2	174.7	166.4	0	0	0	0	110.7	D627 L1212 S1217 F1220 Q1221	D627-S1215 WeakPolarHBondContact OD1-CB 3.34Å; D627-S1215 PolarHBondContact OD1-OG 3.1Å; L1212-S1215 VanDerWaalsContact O-CB 3.32Å; L1212-S1215 WeakPolarHBondContact O-CB 3.01Å; L1212-S1215 PolarHBondContact O-N 2.76Å; L1212-S1215 VanDerWaalsContact O-N 3.12Å; S1215-S1217 PolarHBondContact OG-N 2.88Å; S1215-S1217 VanDerWaalsContact OG-N 3.14Å; S1215-F1220 WeakPolarHBondContact OG-CB 3.26Å; S1215-Q1221 PolarHBondContact O-NE2 2.77Å
1216	K	79.8	Confident	86.1	Confident	157 Å²	157	43 Å²	43	68%	0.683	22%	0.216	S	C	*	.	S	Bend	trans	-89.1	-11.2	176.3	-67.7	-62.8	-172.8	177.4	0	113
1217	S	82	Confident	86.4	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.007	20%	0.198	C	C	.	.			trans	-80.9	131.5	179	162.3	0	0	0	0	112.2	E623 D627 S1215 I1219 F1220 Q1221	E623-S1217 WeakPolarHBondContact OE1-CA 3.36Å; E623-S1217 WeakPolarHBondContact OE1-CB 3.02Å; E623-S1217 PolarHBondContact OE1-OG 3.24Å; D627-S1217 WeakPolarHBondContact OD2-CB 3.49Å; S1215-S1217 PolarHBondContact OG-N 2.88Å; S1215-S1217 VanDerWaalsContact OG-N 3.14Å; S1217-I1219 PolarHBondContact OG-N 2.87Å; S1217-F1220 PolarHBondContact O-N 3.29Å; S1217-F1220 WeakPolarHBondContact OG-CD2 3.23Å; S1217-F1220 PolarHBondContact OG-N 2.95Å; S1217-Q1221 VanDerWaalsContact O-CG 3.31Å; S1217-Q1221 WeakPolarHBondContact O-CG 3.4Å; S1217-Q1221 PolarHBondContact O-N 3.44Å
1218	Q	84.7	Confident	86.9	Confident	46 Å²	46	37.9 Å²	37.9	22%	0.215	19%	0.186	C	C	.	.	H	α-helix	trans	-68.1	-40.4	173.5	-67.6	-170.1	-5.5	0	0	111.1	L869 D873 F1220 Q1221 V1222	L869-Q1218 WeakPolarHBondContact O-CB 3.16Å; D873-Q1218 WeakPolarHBondContact OD1-CG 3.4Å; D873-Q1218 PolarHBondContact OD1-NE2 3.21Å; Q1218-F1220 VanDerWaalsContact C-N 3.32Å; Q1218-F1220 PolarHBondContact O-N 3.07Å; Q1218-Q1221 PolarHBondContact O-N 3.32Å; Q1218-V1222 WeakPolarHBondContact O-CB 3.42Å; Q1218-V1222 WeakPolarHBondContact O-CG2 3.41Å; Q1218-V1222 PolarHBondContact O-N 3.08Å
1219	I	85.3	Confident	87.5	Confident	40 Å²	40	39.3 Å²	39.3	21%	0.205	19%	0.193	C	C	.	.	H	α-helix	trans	-56	-49	174.5	-62.9	-172.2	0	0	0	110.2	L869 S1217 V1222 F1223 Y1224	L869-I1219 WeakPolarHBondContact O-CG1 3.33Å; L869-I1219 PolarHBondContact O-N 2.88Å; S1217-I1219 PolarHBondContact OG-N 2.87Å; I1219-V1222 PolarHBondContact O-N 2.97Å; I1219-F1223 HydrophobicContact CG2-CD2 4.08Å; I1219-F1223 WeakPolarHBondContact O-CB 3.42Å; I1219-F1223 PolarHBondContact O-N 3.21Å; I1219-Y1224 HydrophobicContact CG2-CE2 4.25Å
1220	F	83.3	Confident	87.8	Confident	18 Å²	18	39.5 Å²	39.5	8%	0.079	20%	0.195	C	C	.	.	I	π-helix	trans	-65.9	-40.7	-180	-86.8	-82.8	0	0	0	113.4	D627 I631 E695 S1215 S1217 Q1218 Y1224 F1225	D627-F1220 HydrophobicContact CB-CD2 4.25Å; D627-F1220 HydrophobicContact CB-CE2 4.12Å; D627-F1220 VanDerWaalsContact OD2-CD2 3.24Å; D627-F1220 WeakPolarHBondContact OD2-CD2 3.42Å; I631-F1220 HydrophobicContact CD1-CE1 4.02Å; I631-F1220 HydrophobicContact CD1-CZ 3.95Å; E695-F1220 VanDerWaalsContact OE2-CZ 3.29Å; E695-F1220 WeakPolarHBondContact OE2-CZ 3.37Å; S1215-F1220 WeakPolarHBondContact OG-CB 3.26Å; S1217-F1220 PolarHBondContact O-N 3.29Å; S1217-F1220 WeakPolarHBondContact OG-CD2 3.23Å; S1217-F1220 PolarHBondContact OG-N 2.95Å; Q1218-F1220 VanDerWaalsContact C-N 3.32Å; Q1218-F1220 PolarHBondContact O-N 3.07Å; F1220-Y1224 AromaticContact CD1-CD2 3.44Å; F1220-Y1224 HydrophobicContact CD1-CD2 3.44Å; F1220-Y1224 VanDerWaalsContact CD1-CD2 3.44Å; F1220-Y1224 HydrophobicContact CD1-CE2 4.25Å; F1220-Y1224 AromaticContact CD1-CG 3.96Å; F1220-Y1224 HydrophobicContact CD1-CG 3.96Å; F1220-Y1224 AromaticContact CE1-CD2 3.68Å; F1220-Y1224 HydrophobicContact CE1-CD2 3.68Å; F1220-Y1224 HydrophobicContact CE1-CE2 4.09Å; F1220-Y1224 HydrophobicContact CE1-CG 4.24Å; F1220-Y1224 AromaticContact CG-CD2 3.95Å; F1220-Y1224 HydrophobicContact CG-CD2 3.95Å; F1220-Y1224 HydrophobicContact CZ-CD2 4.36Å; F1220-Y1224 HydrophobicContact CZ-CE2 4.4Å; F1220-Y1224 WeakPolarHBondContact O-CB 3.18Å; F1220-Y1224 PolarHBondContact O-N 2.82Å; F1220-F1225 PolarHBondContact O-N 2.88Å
1221	Q	87.8	Confident	88.1	Confident	60 Å²	60	34.9 Å²	34.9	28%	0.28	17%	0.171	S	C	.	.	I	π-helix	trans	-64.7	-44.8	177	-73.8	-177.8	17.3	0	0	112.1	S1215 S1217 Q1218 F1225 R1226	S1215-Q1221 PolarHBondContact O-NE2 2.77Å; S1217-Q1221 VanDerWaalsContact O-CG 3.31Å; S1217-Q1221 WeakPolarHBondContact O-CG 3.4Å; S1217-Q1221 PolarHBondContact O-N 3.44Å; Q1218-Q1221 PolarHBondContact O-N 3.32Å; Q1221-F1225 WeakPolarHBondContact O-CB 3.43Å; Q1221-R1226 WeakPolarHBondContact O-CG 3.45Å; Q1221-R1226 PolarHBondContact O-N 2.03Å
1222	V	89.8	Confident	88.3	Confident	16 Å²	16	33.6 Å²	33.6	10%	0.097	16%	0.164	C	C	.	.	I	π-helix	trans	-82.8	-53.3	-173.1	179	0	0	0	0	112	I1146 Q1218 I1219 R1226	I1146-V1222 HydrophobicContact CG1-CG1 4.25Å; Q1218-V1222 WeakPolarHBondContact O-CB 3.42Å; Q1218-V1222 WeakPolarHBondContact O-CG2 3.41Å; Q1218-V1222 PolarHBondContact O-N 3.08Å; I1219-V1222 PolarHBondContact O-N 2.97Å; V1222-R1226 WeakPolarHBondContact O-CB 3.31Å
1223	F	90.2	Very high	88.8	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.009	18%	0.181	C	C	.	.	I	π-helix	trans	-87.7	-29.6	-172.3	-63.7	-72.3	0	0	0	113.5	L865 I1146 N1149 V1151 N1155 I1219 M1227	L865-F1223 HydrophobicContact CD1-CE2 3.44Å; L865-F1223 VanDerWaalsContact CD1-CE2 3.44Å; L865-F1223 HydrophobicContact CD1-CZ 3.56Å; I1146-F1223 HydrophobicContact CG2-CD1 3.84Å; I1146-F1223 HydrophobicContact CG2-CE1 3.88Å; N1149-F1223 WeakPolarHBondContact ND2-CE1 3.16Å; N1149-F1223 WeakPolarHBondContact ND2-CZ 3.43Å; V1151-F1223 HydrophobicContact CG1-CB 4.01Å; V1151-F1223 HydrophobicContact CG1-CG 4.47Å; N1155-F1223 PolarHBondContact ND2-O 3.48Å; I1219-F1223 HydrophobicContact CG2-CD2 4.08Å; I1219-F1223 WeakPolarHBondContact O-CB 3.42Å; I1219-F1223 PolarHBondContact O-N 3.21Å; F1223-M1227 WeakPolarHBondContact O-CB 3.33Å; F1223-M1227 WeakPolarHBondContact O-CG 3.07Å; F1223-M1227 VanDerWaalsContact O-SD 3.34Å
1224	Y	88.9	Confident	89.2	Confident	9 Å²	9	35.7 Å²	35.7	4%	0.035	17%	0.17	C	C	.	.	I	π-helix	trans	-98.6	-60.2	-178.9	-67.6	-65.2	0	0	0	112.5	V696 V1151 I1219 F1220 Y1228	V696-Y1224 HydrophobicContact CG2-CD1 4.35Å; V696-Y1224 HydrophobicContact CG2-CE1 3.38Å; V1151-Y1224 HydrophobicContact CG1-CE1 4.4Å; V1151-Y1224 HydrophobicContact CG1-CE2 4.41Å; I1219-Y1224 HydrophobicContact CG2-CE2 4.25Å; F1220-Y1224 AromaticContact CD1-CD2 3.44Å; F1220-Y1224 HydrophobicContact CD1-CD2 3.44Å; F1220-Y1224 VanDerWaalsContact CD1-CD2 3.44Å; F1220-Y1224 HydrophobicContact CD1-CE2 4.25Å; F1220-Y1224 AromaticContact CD1-CG 3.96Å; F1220-Y1224 HydrophobicContact CD1-CG 3.96Å; F1220-Y1224 AromaticContact CE1-CD2 3.68Å; F1220-Y1224 HydrophobicContact CE1-CD2 3.68Å; F1220-Y1224 HydrophobicContact CE1-CE2 4.09Å; F1220-Y1224 HydrophobicContact CE1-CG 4.24Å; F1220-Y1224 AromaticContact CG-CD2 3.95Å; F1220-Y1224 HydrophobicContact CG-CD2 3.95Å; F1220-Y1224 HydrophobicContact CZ-CD2 4.36Å; F1220-Y1224 HydrophobicContact CZ-CE2 4.4Å; F1220-Y1224 WeakPolarHBondContact O-CB 3.18Å; F1220-Y1224 PolarHBondContact O-N 2.82Å; Y1224-Y1228 HydrophobicContact CD1-CE1 4.17Å; Y1224-Y1228 AromaticContact CD1-CE2 3.85Å; Y1224-Y1228 HydrophobicContact CD1-CE2 3.85Å; Y1224-Y1228 AromaticContact CD1-CZ 3.53Å; Y1224-Y1228 VanDerWaalsContact CD1-OH 3.28Å; Y1224-Y1228 WeakPolarHBondContact CD1-OH 3.41Å; Y1224-Y1228 WeakPolarHBondContact CE1-OH 3.18Å; Y1224-Y1228 WeakPolarHBondContact O-CB 3.01Å; Y1224-Y1228 WeakPolarHBondContact O-CD2 3.3Å; Y1224-Y1228 PolarHBondContact O-N 3.35Å
1225	F	91.3	Very high	89.5	Confident	40 Å²	40	29.7 Å²	29.7	18%	0.175	14%	0.138	C	C	.	.	I	π-helix	trans	-60.7	-56.1	-176.7	164.5	-109.1	0	0	0	112.4	I1209 L1212 A1213 F1220 Q1221 L1229	I1209-F1225 HydrophobicContact CG2-CD2 3.76Å; I1209-F1225 HydrophobicContact CG2-CE2 4.12Å; I1209-F1225 WeakPolarHBondContact O-CD2 3.36Å; L1212-F1225 HydrophobicContact CB-CB 4.25Å; L1212-F1225 HydrophobicContact CB-CD2 4.48Å; A1213-F1225 HydrophobicContact CB-CD1 4.34Å; A1213-F1225 HydrophobicContact CB-CD2 3.88Å; A1213-F1225 HydrophobicContact CB-CE1 4Å; A1213-F1225 HydrophobicContact CB-CE2 3.52Å; A1213-F1225 HydrophobicContact CB-CG 4.28Å; A1213-F1225 HydrophobicContact CB-CZ 3.58Å; F1220-F1225 PolarHBondContact O-N 2.88Å; Q1221-F1225 WeakPolarHBondContact O-CB 3.43Å; F1225-L1229 HydrophobicContact CE2-CD2 4.23Å; F1225-L1229 HydrophobicContact CZ-CD2 4Å; F1225-L1229 WeakPolarHBondContact O-CB 3.42Å; F1225-L1229 PolarHBondContact O-N 3.21Å
1226	R	93.5	Very high	90	Very high	83 Å²	83	30 Å²	30	31%	0.313	14%	0.141	S	C	.	.	I	π-helix	trans	-61.6	-47.7	-179.7	-71.3	177.7	-165.7	-176.3	5.9	111.6	W1144 I1146 Q1221 V1222 A1230	W1144-R1226 HydrophobicContact CE3-CB 3.66Å; W1144-R1226 HydrophobicContact CE3-CG 3.99Å; W1144-R1226 HydrophobicContact CZ3-CB 3.94Å; W1144-R1226 HydrophobicContact CZ3-CG 4.3Å; W1144-R1226 WeakPolarHBondContact CZ3-O 3.18Å; W1144-R1226 PolarHBondContact O-NH1 3.41Å; I1146-R1226 HydrophobicContact CD1-CB 3.92Å; Q1221-R1226 WeakPolarHBondContact O-CG 3.45Å; Q1221-R1226 PolarHBondContact O-N 2.03Å; V1222-R1226 WeakPolarHBondContact O-CB 3.31Å; R1226-A1230 WeakPolarHBondContact O-CB 3.4Å; R1226-A1230 PolarHBondContact O-N 2.85Å
1227	M	93.8	Very high	90.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.2	-45.6	-179.9	-62.5	-171.3	71.9	0	0	112.4	M1137 M1141 I1146 N1155 L1156 F1223 L1229 A1230 I1231	M1137-M1227 HydrophobicContact CE-CB 4.05Å; M1137-M1227 HydrophobicContact CE-CE 3.97Å; M1137-M1227 HydrophobicContact CE-CG 4.02Å; M1141-M1227 HydrophobicContact SD-CE 4.2Å; I1146-M1227 HydrophobicContact CD1-CG 3.78Å; I1146-M1227 HydrophobicContact CG2-CG 4.13Å; I1146-M1227 HydrophobicContact CG2-SD 4.01Å; N1155-M1227 HydrophobicContact CB-CE 3.52Å; N1155-M1227 HydrophobicContact CB-SD 3.78Å; L1156-M1227 HydrophobicContact CG-CE 4.32Å; F1223-M1227 WeakPolarHBondContact O-CB 3.33Å; F1223-M1227 WeakPolarHBondContact O-CG 3.07Å; F1223-M1227 VanDerWaalsContact O-SD 3.34Å; M1227-L1229 VanDerWaalsContact C-N 3.33Å; M1227-L1229 PolarHBondContact O-N 3.01Å; M1227-A1230 WeakPolarHBondContact O-CB 3.34Å; M1227-A1230 PolarHBondContact O-N 2.84Å; M1227-I1231 WeakPolarHBondContact O-CG1 3.18Å; M1227-I1231 PolarHBondContact O-N 2.99Å
1228	Y	91.8	Very high	91.3	Very high	10 Å²	10	25.1 Å²	25.1	4%	0.039	13%	0.125	C	C	.	.	H	α-helix	trans	-64.6	-39	179.9	-68.9	-10.2	0	0	0	112.2	V696 F699 M1158 L1212 Y1224 A1230 I1231 V1232	V696-Y1228 VanDerWaalsContact CG1-OH 3.26Å; V696-Y1228 WeakPolarHBondContact CG1-OH 3.21Å; F699-Y1228 HydrophobicContact CD1-CD2 4.07Å; F699-Y1228 AromaticContact CD1-CE2 3.66Å; F699-Y1228 HydrophobicContact CD1-CE2 3.66Å; F699-Y1228 AromaticContact CE1-CD2 3.52Å; F699-Y1228 HydrophobicContact CE1-CD2 3.52Å; F699-Y1228 AromaticContact CE1-CE2 3.61Å; F699-Y1228 HydrophobicContact CE1-CE2 3.61Å; F699-Y1228 HydrophobicContact CE1-CG 4.09Å; F699-Y1228 HydrophobicContact CG-CE2 4.42Å; F699-Y1228 AromaticContact CZ-CD2 3.9Å; F699-Y1228 HydrophobicContact CZ-CD2 3.9Å; F699-Y1228 HydrophobicContact CZ-CE2 4.31Å; M1158-Y1228 HydrophobicContact CE-CE1 4.03Å; M1158-Y1228 HydrophobicContact SD-CE1 3.83Å; L1212-Y1228 HydrophobicContact CD1-CD2 4.46Å; Y1224-Y1228 HydrophobicContact CD1-CE1 4.17Å; Y1224-Y1228 AromaticContact CD1-CE2 3.85Å; Y1224-Y1228 HydrophobicContact CD1-CE2 3.85Å; Y1224-Y1228 AromaticContact CD1-CZ 3.53Å; Y1224-Y1228 VanDerWaalsContact CD1-OH 3.28Å; Y1224-Y1228 WeakPolarHBondContact CD1-OH 3.41Å; Y1224-Y1228 WeakPolarHBondContact CE1-OH 3.18Å; Y1224-Y1228 WeakPolarHBondContact O-CB 3.01Å; Y1224-Y1228 WeakPolarHBondContact O-CD2 3.3Å; Y1224-Y1228 PolarHBondContact O-N 3.35Å; Y1228-A1230 VanDerWaalsContact C-N 3.33Å; Y1228-I1231 HydrophobicContact CD1-CD1 4.26Å; Y1228-I1231 PolarHBondContact O-N 3.19Å; Y1228-V1232 WeakPolarHBondContact O-CG2 3.26Å; Y1228-V1232 PolarHBondContact O-N 3.48Å
1229	L	93	Very high	91.7	Very high	30 Å²	30	23 Å²	23	16%	0.157	11%	0.114	C	C	.	.	H	α-helix	trans	-59.7	-46.8	173.3	-178.1	62.5	0	0	0	110.6	W1144 F1206 I1209 F1225 M1227 V1232 L1233	W1144-L1229 HydrophobicContact CH2-CD2 4Å; W1144-L1229 HydrophobicContact CZ3-CD2 4.46Å; F1206-L1229 HydrophobicContact CD2-CD1 4.33Å; F1206-L1229 HydrophobicContact CE2-CD1 4.19Å; I1209-L1229 HydrophobicContact CG2-CB 4.07Å; F1225-L1229 HydrophobicContact CE2-CD2 4.23Å; F1225-L1229 HydrophobicContact CZ-CD2 4Å; F1225-L1229 WeakPolarHBondContact O-CB 3.42Å; F1225-L1229 PolarHBondContact O-N 3.21Å; M1227-L1229 VanDerWaalsContact C-N 3.33Å; M1227-L1229 PolarHBondContact O-N 3.01Å; L1229-V1232 PolarHBondContact O-N 2.93Å; L1229-L1233 HydrophobicContact CD1-CD1 3.81Å; L1229-L1233 HydrophobicContact CD1-CG 4.15Å; L1229-L1233 HydrophobicContact CG-CD1 3.92Å; L1229-L1233 WeakPolarHBondContact O-CB 3.49Å; L1229-L1233 VanDerWaalsContact O-CG 3.25Å; L1229-L1233 WeakPolarHBondContact O-CG 3.36Å; L1229-L1233 PolarHBondContact O-N 3.47Å
1230	A	94.6	Very high	92.1	Very high	5 Å²	5	21.2 Å²	21.2	4%	0.041	11%	0.106	C	C	.	.	H	α-helix	trans	-62.3	-45.1	177.3	0	0	0	0	0	112.3	M1137 V1140 W1144 R1226 M1227 Y1228 V1232 L1233 L1234	M1137-A1230 HydrophobicContact CE-CB 3.82Å; M1137-A1230 HydrophobicContact SD-CB 3.7Å; V1140-A1230 HydrophobicContact CB-CB 4.46Å; V1140-A1230 HydrophobicContact CG1-CB 3.77Å; W1144-A1230 HydrophobicContact CZ3-CB 4.43Å; R1226-A1230 WeakPolarHBondContact O-CB 3.4Å; R1226-A1230 PolarHBondContact O-N 2.85Å; M1227-A1230 WeakPolarHBondContact O-CB 3.34Å; M1227-A1230 PolarHBondContact O-N 2.84Å; Y1228-A1230 VanDerWaalsContact C-N 3.33Å; A1230-V1232 PolarHBondContact O-N 3.3Å; A1230-L1233 PolarHBondContact O-N 3.25Å; A1230-L1234 WeakPolarHBondContact O-CB 3.39Å; A1230-L1234 VanDerWaalsContact O-CG 3.27Å; A1230-L1234 WeakPolarHBondContact O-CG 3.46Å; A1230-L1234 PolarHBondContact O-N 2.99Å
1231	I	93.1	Very high	92.7	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-59.3	-47.7	178.8	-69	166.3	0	0	0	110.9	M1137 N1155 I1162 M1227 Y1228 G1235	M1137-I1231 HydrophobicContact SD-CG1 3.94Å; N1155-I1231 WeakPolarHBondContact O-CD1 3.31Å; I1162-I1231 HydrophobicContact CB-CG2 4.42Å; I1162-I1231 HydrophobicContact CD1-CG2 4.32Å; I1162-I1231 HydrophobicContact CG2-CG2 4.36Å; M1227-I1231 WeakPolarHBondContact O-CG1 3.18Å; M1227-I1231 PolarHBondContact O-N 2.99Å; Y1228-I1231 HydrophobicContact CD1-CD1 4.26Å; Y1228-I1231 PolarHBondContact O-N 3.19Å; I1231-G1235 WeakPolarHBondContact O-CA 3Å; I1231-G1235 PolarHBondContact O-N 2.84Å
1232	V	91.9	Very high	93.1	Very high	5 Å²	5	19.3 Å²	19.3	3%	0.03	10%	0.099	C	C	.	.	H	α-helix	trans	-67.9	-42.8	-178.4	173.4	0	0	0	0	111.3	T1202 K1205 I1209 Y1228 L1229 A1230 A1236	T1202-V1232 HydrophobicContact CG2-CG1 4.38Å; K1205-V1232 HydrophobicContact CB-CG1 4.23Å; K1205-V1232 HydrophobicContact CB-CG2 3.84Å; K1205-V1232 HydrophobicContact CG-CG2 4.42Å; I1209-V1232 HydrophobicContact CD1-CB 4.39Å; I1209-V1232 HydrophobicContact CD1-CG2 3.65Å; Y1228-V1232 WeakPolarHBondContact O-CG2 3.26Å; Y1228-V1232 PolarHBondContact O-N 3.48Å; L1229-V1232 PolarHBondContact O-N 2.93Å; A1230-V1232 PolarHBondContact O-N 3.3Å; V1232-A1236 WeakPolarHBondContact O-CB 3.44Å; V1232-A1236 PolarHBondContact O-N 2.88Å
1233	L	93.7	Very high	93.3	Very high	80 Å²	80	18.6 Å²	18.6	42%	0.419	9%	0.094	S	C	.	.	H	α-helix	trans	-70.4	-44.2	179.8	-67.6	178	0	0	0	112.1	L1229 A1230 T1237	L1229-L1233 HydrophobicContact CD1-CD1 3.81Å; L1229-L1233 HydrophobicContact CD1-CG 4.15Å; L1229-L1233 HydrophobicContact CG-CD1 3.92Å; L1229-L1233 WeakPolarHBondContact O-CB 3.49Å; L1229-L1233 VanDerWaalsContact O-CG 3.25Å; L1229-L1233 WeakPolarHBondContact O-CG 3.36Å; L1229-L1233 PolarHBondContact O-N 3.47Å; A1230-L1233 PolarHBondContact O-N 3.25Å; L1233-T1237 WeakPolarHBondContact O-CB 3.42Å; L1233-T1237 VanDerWaalsContact O-CG2 3.25Å; L1233-T1237 WeakPolarHBondContact O-CG2 3.26Å; L1233-T1237 PolarHBondContact O-N 2.96Å; L1233-T1237 PolarHBondContact O-OG1 3.45Å
1234	L	95.1	Very high	93.5	Very high	16 Å²	16	18.5 Å²	18.5	8%	0.084	9%	0.094	C	C	.	.	H	α-helix	trans	-65.3	-44.4	176.2	-71.9	174.2	0	0	0	111	M850 I1133 N1136 M1137 V1140 A1230 T1237 H1238	M850-L1234 HydrophobicContact SD-CD2 4.28Å; I1133-L1234 HydrophobicContact CG2-CB 4.28Å; N1136-L1234 HydrophobicContact CB-CD1 4.19Å; N1136-L1234 HydrophobicContact CB-CD2 4.14Å; M1137-L1234 HydrophobicContact CB-CD1 4.39Å; M1137-L1234 HydrophobicContact SD-CD1 4.24Å; V1140-L1234 HydrophobicContact CG2-CD1 4.09Å; A1230-L1234 WeakPolarHBondContact O-CB 3.39Å; A1230-L1234 VanDerWaalsContact O-CG 3.27Å; A1230-L1234 WeakPolarHBondContact O-CG 3.46Å; A1230-L1234 PolarHBondContact O-N 2.99Å; L1234-T1237 WeakPolarHBondContact CA-OG1 3.48Å; L1234-T1237 PolarHBondContact O-N 2.89Å; L1234-T1237 PolarHBondContact O-OG1 2.86Å; L1234-H1238 WeakPolarHBondContact O-CB 3.47Å; L1234-H1238 PolarHBondContact O-N 3.24Å; L1234-H1238 PolarHBondContact O-ND1 3.45Å
1235	G	93.3	Very high	93.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59.6	-49.1	175.6	0	0	0	0	0	112.5	I1231 G1239	I1231-G1235 WeakPolarHBondContact O-CA 3Å; I1231-G1235 PolarHBondContact O-N 2.84Å; G1235-G1239 PolarHBondContact O-N 2.86Å
1236	A	92.5	Very high	93.7	Very high	10 Å²	10	17.2 Å²	17.2	8%	0.083	9%	0.089	C	C	.	.	H	α-helix	trans	-64.3	-43.1	178.8	0	0	0	0	0	112.5	F1166 T1202 V1232 L1240	F1166-A1236 HydrophobicContact CE1-CB 4.05Å; F1166-A1236 HydrophobicContact CZ-CB 4.32Å; T1202-A1236 HydrophobicContact CG2-CB 3.84Å; V1232-A1236 WeakPolarHBondContact O-CB 3.44Å; V1232-A1236 PolarHBondContact O-N 2.88Å; A1236-L1240 WeakPolarHBondContact O-CB 3.49Å; A1236-L1240 WeakPolarHBondContact O-CG 3.35Å; A1236-L1240 PolarHBondContact O-N 2.9Å
1237	T	94.6	Very high	93.6	Very high	56 Å²	56	13.3 Å²	13.3	34%	0.344	8%	0.075	S	C	.	.	H	α-helix	trans	-67.9	-42.5	178.9	51.7	0	0	0	0	112.1	L1233 L1234 V1241 F1242	L1233-T1237 WeakPolarHBondContact O-CB 3.42Å; L1233-T1237 VanDerWaalsContact O-CG2 3.25Å; L1233-T1237 WeakPolarHBondContact O-CG2 3.26Å; L1233-T1237 PolarHBondContact O-N 2.96Å; L1233-T1237 PolarHBondContact O-OG1 3.45Å; L1234-T1237 WeakPolarHBondContact CA-OG1 3.48Å; L1234-T1237 PolarHBondContact O-N 2.89Å; L1234-T1237 PolarHBondContact O-OG1 2.86Å; T1237-V1241 WeakPolarHBondContact O-CA 3.37Å; T1237-V1241 WeakPolarHBondContact O-CB 3.15Å; T1237-V1241 PolarHBondContact O-N 2.76Å; T1237-F1242 PolarHBondContact O-N 2.83Å
1238	H	95.5	Very high	93.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.077	C	C	.	.	I	π-helix	trans	-69.6	-43.5	177.6	-74.1	71.2	0	0	0	111.9	F847 T1129 I1133 N1136 L1234 F1242 L1243	F847-H1238 AromaticContact CD1-CD2 3.91Å; F847-H1238 AromaticContact CD1-CE1 3.91Å; F847-H1238 AromaticContact CD1-NE2 3.66Å; F847-H1238 AromaticContact CE1-CD2 3.99Å; F847-H1238 AromaticContact CE1-CE1 3.74Å; F847-H1238 AromaticContact CE1-CG 3.89Å; F847-H1238 AromaticContact CE1-ND1 3.75Å; F847-H1238 AromaticContact CE1-NE2 3.9Å; T1129-H1238 HydrophobicContact CG2-CB 4.04Å; I1133-H1238 HydrophobicContact CD1-CB 3.72Å; I1133-H1238 HydrophobicContact CG1-CB 3.55Å; I1133-H1238 VanDerWaalsContact CG1-CG 3.48Å; N1136-H1238 PolarHBondContact ND2-CE1 3.06Å; N1136-H1238 VanDerWaalsContact ND2-CE1 3.31Å; N1136-H1238 PolarHBondContact ND2-NE2 2.77Å; L1234-H1238 WeakPolarHBondContact O-CB 3.47Å; L1234-H1238 PolarHBondContact O-N 3.24Å; L1234-H1238 PolarHBondContact O-ND1 3.45Å; H1238-F1242 PolarHBondContact O-N 3.4Å; H1238-L1243 VanDerWaalsContact O-CB 3.28Å; H1238-L1243 WeakPolarHBondContact O-CB 3.4Å; H1238-L1243 PolarHBondContact O-N 3.16Å
1239	G	93.6	Very high	93.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.089	C	C	.	.	I	π-helix	trans	-72.9	-38.7	-178.4	0	0	0	0	0	114.7	G1235 P1244	G1235-G1239 PolarHBondContact O-N 2.86Å; G1239-P1244 WeakPolarHBondContact O-CD 3.36Å
1240	L	93.8	Very high	93.1	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.021	11%	0.108	C	C	.	.	I	π-helix	trans	-99.8	-17.6	-174	-56.5	174.3	0	0	0	114.1	I1170 L1190 V1197 F1198 A1236	I1170-L1240 HydrophobicContact CD1-CD2 4.4Å; L1190-L1240 HydrophobicContact CD1-CD2 4.4Å; V1197-L1240 HydrophobicContact CG1-CD2 4.37Å; F1198-L1240 HydrophobicContact CB-CD1 3.87Å; F1198-L1240 HydrophobicContact CD2-CD1 3.76Å; F1198-L1240 HydrophobicContact CG-CD1 4.28Å; A1236-L1240 WeakPolarHBondContact O-CB 3.49Å; A1236-L1240 WeakPolarHBondContact O-CG 3.35Å; A1236-L1240 PolarHBondContact O-N 2.9Å
1241	V	95.3	Very high	92.5	Very high	30 Å²	30	20.1 Å²	20.1	18%	0.182	11%	0.106	C	C	.	.	I	π-helix	trans	-112.7	-57.8	179.8	-172.1	0	0	0	0	111.8	Y830 I834 I843 F847 T1237 V1245	Y830-V1241 WeakPolarHBondContact OH-CG2 3.36Å; I834-V1241 HydrophobicContact CD1-CG1 4.38Å; I834-V1241 HydrophobicContact CD1-CG2 4.48Å; I843-V1241 HydrophobicContact CD1-CG1 3.9Å; I843-V1241 HydrophobicContact CG1-CG1 4.32Å; I843-V1241 HydrophobicContact CG2-CG1 4Å; F847-V1241 HydrophobicContact CE2-CB 4.42Å; F847-V1241 HydrophobicContact CE2-CG1 4.13Å; F847-V1241 HydrophobicContact CZ-CB 4.26Å; F847-V1241 HydrophobicContact CZ-CG1 4.46Å; T1237-V1241 WeakPolarHBondContact O-CA 3.37Å; T1237-V1241 WeakPolarHBondContact O-CB 3.15Å; T1237-V1241 PolarHBondContact O-N 2.76Å; V1241-V1245 WeakPolarHBondContact O-CG2 3.41Å
1242	F	95.3	Very high	92	Very high	8 Å²	8	21 Å²	21	4%	0.035	11%	0.112	C	C	.	.	I	π-helix	trans	-74.5	-48.1	-172.9	175.7	-106.5	0	0	0	112.8	F847 T1129 M1132 T1237 H1238 V1245 L1246	F847-F1242 HydrophobicContact CB-CD2 3.58Å; F847-F1242 HydrophobicContact CB-CE2 3.89Å; F847-F1242 HydrophobicContact CB-CG 4.3Å; F847-F1242 HydrophobicContact CD1-CB 3.71Å; F847-F1242 HydrophobicContact CD1-CD2 4.06Å; F847-F1242 AromaticContact CD1-CG 3.93Å; F847-F1242 HydrophobicContact CD1-CG 3.93Å; F847-F1242 HydrophobicContact CD2-CB 4.15Å; F847-F1242 HydrophobicContact CD2-CD2 4.12Å; F847-F1242 HydrophobicContact CE1-CB 3.66Å; F847-F1242 HydrophobicContact CE1-CG 4.37Å; F847-F1242 HydrophobicContact CE2-CB 4.09Å; F847-F1242 HydrophobicContact CG-CB 3.95Å; F847-F1242 AromaticContact CG-CD2 3.65Å; F847-F1242 HydrophobicContact CG-CD2 3.65Å; F847-F1242 HydrophobicContact CG-CE2 4.45Å; F847-F1242 HydrophobicContact CG-CG 4Å; F847-F1242 HydrophobicContact CZ-CB 3.84Å; T1129-F1242 HydrophobicContact CG2-CD1 4.32Å; M1132-F1242 HydrophobicContact CE-CD1 4.37Å; M1132-F1242 HydrophobicContact CE-CE1 3.72Å; M1132-F1242 HydrophobicContact CE-CE2 4.17Å; M1132-F1242 HydrophobicContact CE-CZ 3.62Å; M1132-F1242 HydrophobicContact SD-CD1 4.46Å; M1132-F1242 HydrophobicContact SD-CE1 3.48Å; M1132-F1242 WeakPolarHBondContact SD-CE1 3.48Å; M1132-F1242 HydrophobicContact SD-CZ 3.64Å; T1237-F1242 PolarHBondContact O-N 2.83Å; H1238-F1242 PolarHBondContact O-N 3.4Å; F1242-V1245 WeakPolarHBondContact O-CB 3.46Å; F1242-V1245 PolarHBondContact O-N 2.81Å; F1242-V1245 VanDerWaalsContact O-N 3.15Å; F1242-L1246 HydrophobicContact CD1-CD2 4.46Å; F1242-L1246 HydrophobicContact CE1-CB 4.46Å; F1242-L1246 HydrophobicContact CE1-CD2 3.68Å; F1242-L1246 HydrophobicContact CZ-CD1 4.44Å; F1242-L1246 HydrophobicContact CZ-CD2 3.99Å; F1242-L1246 WeakPolarHBondContact O-CB 3.21Å; F1242-L1246 PolarHBondContact O-N 2.9Å
1243	L	93.9	Very high	91.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.6	-44	-175.6	179.4	66.2	0	0	0	113.5	T1129 C1167 I1170 V1171 H1238 V1245 L1246 L1247	T1129-L1243 HydrophobicContact CG2-CB 4.48Å; C1167-L1243 HydrophobicContact CB-CD2 3.96Å; I1170-L1243 HydrophobicContact CB-CD2 4.08Å; I1170-L1243 HydrophobicContact CG2-CD2 4.21Å; V1171-L1243 HydrophobicContact CG2-CD1 3.93Å; V1171-L1243 HydrophobicContact CG2-CD2 4.03Å; V1171-L1243 HydrophobicContact CG2-CG 4.3Å; H1238-L1243 VanDerWaalsContact O-CB 3.28Å; H1238-L1243 WeakPolarHBondContact O-CB 3.4Å; H1238-L1243 PolarHBondContact O-N 3.16Å; L1243-V1245 VanDerWaalsContact C-N 3.33Å; L1243-V1245 PolarHBondContact O-N 3.33Å; L1243-L1246 PolarHBondContact O-N 2.98Å; L1243-L1247 HydrophobicContact CD1-CD1 4.35Å; L1243-L1247 HydrophobicContact CD1-CG 4.27Å; L1243-L1247 HydrophobicContact CG-CD1 4.14Å; L1243-L1247 HydrophobicContact CG-CG 4.5Å; L1243-L1247 WeakPolarHBondContact O-CB 3.45Å; L1243-L1247 VanDerWaalsContact O-CG 3.27Å; L1243-L1247 WeakPolarHBondContact O-CG 3.41Å; L1243-L1247 PolarHBondContact O-N 2.74Å
1244	P	94.1	Very high	90.3	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-61.6	-38.6	174.9	-23.7	34.5	0	0	0	113.1	L1190 G1239 S1248	L1190-P1244 HydrophobicContact CB-CG 4.49Å; L1190-P1244 HydrophobicContact CD1-CG 3.83Å; L1190-P1244 HydrophobicContact CD2-CB 4.11Å; L1190-P1244 HydrophobicContact CD2-CG 4.04Å; L1190-P1244 HydrophobicContact CG-CG 4.35Å; G1239-P1244 WeakPolarHBondContact O-CD 3.36Å; P1244-S1248 WeakPolarHBondContact O-CB 3.38Å; P1244-S1248 PolarHBondContact O-N 3.49Å
1245	V	93.9	Very high	89.3	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.8	-44.9	176.9	174.3	0	0	0	0	110.4	I834 R840 I843 V844 V1241 F1242 L1243 S1248 Y1249	I834-V1245 HydrophobicContact CG2-CG2 3.59Å; R840-V1245 HydrophobicContact CB-CG1 3.77Å; R840-V1245 HydrophobicContact CG-CG1 3.98Å; R840-V1245 HydrophobicContact CG-CG2 4.23Å; I843-V1245 HydrophobicContact CB-CG2 4.42Å; I843-V1245 HydrophobicContact CD1-CG2 3.84Å; I843-V1245 HydrophobicContact CG2-CB 4.48Å; I843-V1245 HydrophobicContact CG2-CG2 4.16Å; V844-V1245 HydrophobicContact CG2-CG1 3.83Å; V1241-V1245 WeakPolarHBondContact O-CG2 3.41Å; F1242-V1245 WeakPolarHBondContact O-CB 3.46Å; F1242-V1245 PolarHBondContact O-N 2.81Å; F1242-V1245 VanDerWaalsContact O-N 3.15Å; L1243-V1245 VanDerWaalsContact C-N 3.33Å; L1243-V1245 PolarHBondContact O-N 3.33Å; V1245-S1248 WeakPolarHBondContact O-CB 3.4Å; V1245-S1248 PolarHBondContact O-N 2.88Å; V1245-S1248 VanDerWaalsContact O-N 3.15Å; V1245-S1248 PolarHBondContact O-OG 3.1Å; V1245-Y1249 HydrophobicContact CG1-CD2 4.16Å; V1245-Y1249 HydrophobicContact CG1-CE2 4.01Å; V1245-Y1249 WeakPolarHBondContact O-CD2 3.37Å; V1245-Y1249 PolarHBondContact O-N 2.58Å
1246	L	92.3	Very high	88.2	Confident	21 Å²	21	27.6 Å²	27.6	11%	0.11	15%	0.152	C	C	.	.	H	α-helix	trans	-62.9	-44	178.7	-175.3	63.8	0	0	0	111.8	M1125 F1242 L1243 S1248 Y1249 I1250	M1125-L1246 HydrophobicContact CE-CB 4.49Å; M1125-L1246 HydrophobicContact CE-CD1 3.73Å; M1125-L1246 HydrophobicContact CE-CD2 3.3Å; M1125-L1246 HydrophobicContact CE-CG 3.2Å; F1242-L1246 HydrophobicContact CD1-CD2 4.46Å; F1242-L1246 HydrophobicContact CE1-CB 4.46Å; F1242-L1246 HydrophobicContact CE1-CD2 3.68Å; F1242-L1246 HydrophobicContact CZ-CD1 4.44Å; F1242-L1246 HydrophobicContact CZ-CD2 3.99Å; F1242-L1246 WeakPolarHBondContact O-CB 3.21Å; F1242-L1246 PolarHBondContact O-N 2.9Å; L1243-L1246 PolarHBondContact O-N 2.98Å; L1246-S1248 VanDerWaalsContact C-N 3.29Å; L1246-S1248 PolarHBondContact O-N 3.07Å; L1246-Y1249 PolarHBondContact O-N 2.88Å; L1246-I1250 HydrophobicContact CD1-CD1 4.07Å; L1246-I1250 PolarHBondContact O-N 3.43Å
1247	L	91	Very high	87.2	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-61.8	-34.8	173	-70.8	171	0	0	0	112.3	M1125 I1170 V1171 F1174 L1243 Y1249 G1251	M1125-L1247 HydrophobicContact CG-CD2 4.42Å; I1170-L1247 HydrophobicContact CG2-CD1 4.24Å; V1171-L1247 HydrophobicContact CG2-CD1 4.14Å; V1171-L1247 HydrophobicContact CG2-CD2 4.31Å; F1174-L1247 HydrophobicContact CB-CD1 4.02Å; F1174-L1247 HydrophobicContact CD1-CD2 4.06Å; F1174-L1247 HydrophobicContact CD2-CB 4.12Å; F1174-L1247 HydrophobicContact CD2-CD1 4.27Å; F1174-L1247 HydrophobicContact CE1-CB 4.48Å; F1174-L1247 HydrophobicContact CE1-CD2 4.32Å; F1174-L1247 HydrophobicContact CE2-CB 4.01Å; F1174-L1247 HydrophobicContact CG-CB 4.38Å; F1174-L1247 HydrophobicContact CG-CD1 4.02Å; F1174-L1247 HydrophobicContact CG-CD2 4.39Å; F1174-L1247 HydrophobicContact CZ-CB 4.2Å; L1243-L1247 HydrophobicContact CD1-CD1 4.35Å; L1243-L1247 HydrophobicContact CD1-CG 4.27Å; L1243-L1247 HydrophobicContact CG-CD1 4.14Å; L1243-L1247 HydrophobicContact CG-CG 4.5Å; L1243-L1247 WeakPolarHBondContact O-CB 3.45Å; L1243-L1247 VanDerWaalsContact O-CG 3.27Å; L1243-L1247 WeakPolarHBondContact O-CG 3.41Å; L1243-L1247 PolarHBondContact O-N 2.74Å; L1247-Y1249 VanDerWaalsContact C-N 3.28Å; L1247-Y1249 PolarHBondContact O-N 3.39Å; L1247-G1251 WeakPolarHBondContact O-CA 3.29Å; L1247-G1251 PolarHBondContact O-N 3.44Å
1248	S	91.4	Very high	86.2	Confident	7 Å²	7	25.9 Å²	25.9	5%	0.049	14%	0.141	C	C	.	.	H	α-helix	trans	-66	-29.5	177.5	86.3	0	0	0	0	113.2	R840 P1244 V1245 L1246	R840-S1248 VanDerWaalsContact CD-OG 3.29Å; R840-S1248 WeakPolarHBondContact CD-OG 3.4Å; R840-S1248 PolarHBondContact NH1-OG 3.38Å; P1244-S1248 WeakPolarHBondContact O-CB 3.38Å; P1244-S1248 PolarHBondContact O-N 3.49Å; V1245-S1248 WeakPolarHBondContact O-CB 3.4Å; V1245-S1248 PolarHBondContact O-N 2.88Å; V1245-S1248 VanDerWaalsContact O-N 3.15Å; V1245-S1248 PolarHBondContact O-OG 3.1Å; L1246-S1248 VanDerWaalsContact C-N 3.29Å; L1246-S1248 PolarHBondContact O-N 3.07Å
1249	Y	88.1	Confident	85	Confident	74 Å²	74	27.5 Å²	27.5	29%	0.29	15%	0.15	S	C	.	.	H	α-helix	trans	-88.1	-55.4	177.5	-79	-67.5	0	0	0	112.3	R840 V844 R1182 V1245 L1246 L1247	R840-Y1249 HydrophobicContact CB-CE2 3.84Å; V844-Y1249 HydrophobicContact CG2-CE2 4.32Å; R1182-Y1249 PolarHBondContact NH1-O 3.44Å; V1245-Y1249 HydrophobicContact CG1-CD2 4.16Å; V1245-Y1249 HydrophobicContact CG1-CE2 4.01Å; V1245-Y1249 WeakPolarHBondContact O-CD2 3.37Å; V1245-Y1249 PolarHBondContact O-N 2.58Å; L1246-Y1249 PolarHBondContact O-N 2.88Å; L1247-Y1249 VanDerWaalsContact C-N 3.28Å; L1247-Y1249 PolarHBondContact O-N 3.39Å
1250	I	87.4	Confident	83.9	Confident	108 Å²	108	33.3 Å²	33.3	55%	0.554	18%	0.176	S	C	*	.	H	α-helix	trans	-114.9	-3.2	-164.7	-43.6	178.6	0	0	0	111.9	M1125 L1246	M1125-I1250 HydrophobicContact CE-CB 4.27Å; L1246-I1250 HydrophobicContact CD1-CD1 4.07Å; L1246-I1250 PolarHBondContact O-N 3.43Å
1251	G	83.4	Confident	82.6	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-57.8	151	-178.5	0	0	0	0	0	113.4	R1182 L1247	R1182-G1251 PolarHBondContact NE-O 2.76Å; R1182-G1251 PolarHBondContact NH2-O 2.76Å; L1247-G1251 WeakPolarHBondContact O-CA 3.29Å; L1247-G1251 PolarHBondContact O-N 3.44Å
1252	P	82.9	Confident	81.4	Confident	21 Å²	21	33.1 Å²	33.1	14%	0.136	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-57.1	146.6	-179.2	27.2	-38.4	0	0	0	111.6	C1121 S1122 F1174 R1185	C1121-P1252 HydrophobicContact CB-CB 4.48Å; S1122-P1252 WeakPolarHBondContact OG-CG 3.28Å; F1174-P1252 HydrophobicContact CD1-CG 4.47Å; F1174-P1252 HydrophobicContact CE1-CG 4.16Å; R1185-P1252 PolarHBondContact NH1-O 3.11Å; R1185-P1252 PolarHBondContact NH2-O 3.31Å
1253	S	78	Confident	80.1	Confident	83 Å²	83	36 Å²	36	58%	0.58	19%	0.194	S	C	*	.	P	Polyproline II helix	trans	-61.6	160.4	168.7	43.3	0	0	0	0	111.1	N1255	S1253-N1255 PolarHBondContact O-N 3.48Å
1254	A	71.9	Confident	78.7	Confident	31 Å²	31	42 Å²	42	26%	0.256	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-60.2	127.8	179	0	0	0	0	0	110.3	K1256 V1259	A1254-K1256 PolarHBondContact O-N 3.33Å; A1254-K1256 VanDerWaalsContact O-N 3.17Å; A1254-V1259 HydrophobicContact CB-CG2 4.01Å
1255	N	72.3	Confident	77.3	Confident	5 Å²	5	46.8 Å²	46.8	3%	0.027	24%	0.24	C	C	.	.			trans	-68.2	112.6	178.9	-178.2	-36.6	0	0	0	109.1	E1119 S1253 A1257 K1258 V1259	E1119-N1255 PolarHBondContact OE1-ND2 3.1Å; S1253-N1255 PolarHBondContact O-N 3.48Å; N1255-A1257 VanDerWaalsContact C-N 3.27Å; N1255-A1257 PolarHBondContact O-N 3.1Å; N1255-A1257 PolarHBondContact OD1-N 2.92Å; N1255-A1257 VanDerWaalsContact OD1-N 3.13Å; N1255-K1258 HydrophobicContact CB-CB 4.09Å; N1255-K1258 HydrophobicContact CB-CD 4.01Å; N1255-K1258 HydrophobicContact CB-CG 3.99Å; N1255-K1258 WeakPolarHBondContact ND2-CE 3.36Å; N1255-K1258 PolarHBondContact O-N 2.86Å; N1255-K1258 VanDerWaalsContact O-N 3.16Å; N1255-K1258 PolarHBondContact OD1-N 2.92Å; N1255-V1259 WeakPolarHBondContact O-CG2 3.28Å; N1255-V1259 PolarHBondContact O-N 3.31Å
1256	K	72	Confident	75.6	Confident	120 Å²	120	49 Å²	49	52%	0.522	25%	0.252	S	S	.	.	H	α-helix	trans	-60.3	-36.9	-172.3	-65.2	-175.6	179.9	-174.1	0	112.2	A1254 F1260	A1254-K1256 PolarHBondContact O-N 3.33Å; A1254-K1256 VanDerWaalsContact O-N 3.17Å; K1256-F1260 WeakPolarHBondContact O-CB 3.44Å; K1256-F1260 PolarHBondContact O-N 2.9Å
1257	A	70.5	Confident	73.5	Confident	13 Å²	13	51 Å²	51	11%	0.107	27%	0.27	C	S	.	.	H	α-helix	trans	-67.2	-43.9	177.6	0	0	0	0	0	111.8	A328 E332 T333 E336 N1255 F1260 A1261	A328-A1257 HydrophobicContact CB-CB 4.09Å; E332-A1257 HydrophobicContact CB-CB 4.39Å; T333-A1257 HydrophobicContact CG2-CB 4.43Å; E336-A1257 HydrophobicContact CB-CB 4.1Å; E336-A1257 HydrophobicContact CG-CB 4.46Å; N1255-A1257 VanDerWaalsContact C-N 3.27Å; N1255-A1257 PolarHBondContact O-N 3.1Å; N1255-A1257 PolarHBondContact OD1-N 2.92Å; N1255-A1257 VanDerWaalsContact OD1-N 3.13Å; A1257-F1260 PolarHBondContact O-N 3.1Å; A1257-A1261 WeakPolarHBondContact O-CB 3.44Å; A1257-A1261 PolarHBondContact O-N 2.74Å
1258	K	73	Confident	71.4	Confident	16 Å²	16	54.2 Å²	54.2	7%	0.07	30%	0.304	C	S	.	.	H	α-helix	trans	-65.9	-41.4	177.2	-63.8	-174.2	-170.5	-169.1	0	112.1	E336 E339 E1119 N1255 A1261 A1262	E336-K1258 HydrophobicContact CB-CG 4.44Å; E336-K1258 HydrophobicContact CG-CG 4.48Å; E339-K1258 WeakPolarHBondContact OE2-CD 3.47Å; E339-K1258 WeakPolarHBondContact OE2-CE 3.35Å; E339-K1258 IonicContact OE2-NZ 3.42Å; E339-K1258 PolarHBondContact OE2-NZ 3.31Å; E1119-K1258 IonicContact OE1-NZ 3.71Å; N1255-K1258 HydrophobicContact CB-CB 4.09Å; N1255-K1258 HydrophobicContact CB-CD 4.01Å; N1255-K1258 HydrophobicContact CB-CG 3.99Å; N1255-K1258 WeakPolarHBondContact ND2-CE 3.36Å; N1255-K1258 PolarHBondContact O-N 2.86Å; N1255-K1258 VanDerWaalsContact O-N 3.16Å; N1255-K1258 PolarHBondContact OD1-N 2.92Å; K1258-A1261 PolarHBondContact O-N 2.82Å; K1258-A1262 VanDerWaalsContact O-CB 3.24Å; K1258-A1262 WeakPolarHBondContact O-CB 3.49Å; K1258-A1262 PolarHBondContact O-N 2.85Å
1259	V	71.5	Confident	69.7	Low	34 Å²	34	56.3 Å²	56.3	21%	0.206	32%	0.317	C	S	.	.	H	α-helix	trans	-63.4	-44.2	176.1	174.6	0	0	0	0	110.8	T1178 A1254 N1255 A1262 N1263	T1178-V1259 HydrophobicContact CG2-CG2 4.5Å; A1254-V1259 HydrophobicContact CB-CG2 4.01Å; N1255-V1259 WeakPolarHBondContact O-CG2 3.28Å; N1255-V1259 PolarHBondContact O-N 3.31Å; V1259-A1262 PolarHBondContact O-N 3.17Å; V1259-N1263 WeakPolarHBondContact O-CB 3.11Å; V1259-N1263 PolarHBondContact O-N 2.72Å; V1259-N1263 PolarHBondContact O-ND2 3.43Å
1260	F	69.1	Low	67.6	Low	122 Å²	122	60.7 Å²	60.7	54%	0.535	34%	0.34	S	S	.	.	H	α-helix	trans	-63	-46.3	177	-176.2	-98	0	0	0	112	K1256 A1257 A1262 N1263 Q1264	K1256-F1260 WeakPolarHBondContact O-CB 3.44Å; K1256-F1260 PolarHBondContact O-N 2.9Å; A1257-F1260 PolarHBondContact O-N 3.1Å; F1260-A1262 PolarHBondContact O-N 2.65Å; F1260-N1263 PolarHBondContact O-N 3.26Å; F1260-Q1264 HydrophobicContact CD1-CG 4.4Å; F1260-Q1264 HydrophobicContact CE1-CG 4.01Å; F1260-Q1264 VanDerWaalsContact CE1-NE2 3.26Å; F1260-Q1264 HydrophobicContact CZ-CG 4.19Å; F1260-Q1264 PolarHBondContact O-N 3.29Å
1261	A	68	Low	65.6	Low	10 Å²	10	61.6 Å²	61.6	8%	0.083	34%	0.336	C	S	.	.	H	α-helix	trans	-63.3	-40.6	176.1	0	0	0	0	0	112.1	E336 A1257 K1258 Q1264 R1265	E336-A1261 HydrophobicContact CG-CB 4.01Å; E336-A1261 WeakPolarHBondContact OE1-CB 3.48Å; A1257-A1261 WeakPolarHBondContact O-CB 3.44Å; A1257-A1261 PolarHBondContact O-N 2.74Å; K1258-A1261 PolarHBondContact O-N 2.82Å; A1261-Q1264 PolarHBondContact O-N 3.37Å; A1261-R1265 WeakPolarHBondContact O-CD 3.29Å; A1261-R1265 WeakPolarHBondContact O-CG 3.3Å; A1261-R1265 PolarHBondContact O-N 3.15Å
1262	A	68.8	Low	63.6	Low	20 Å²	20	65.6 Å²	65.6	17%	0.165	36%	0.355	C	S	.	.	H	α-helix	trans	-63.7	-42.7	175.4	0	0	0	0	0	112	T1178 K1258 V1259 F1260 R1265 L1266	T1178-A1262 HydrophobicContact CG2-CB 3.7Å; K1258-A1262 VanDerWaalsContact O-CB 3.24Å; K1258-A1262 WeakPolarHBondContact O-CB 3.49Å; K1258-A1262 PolarHBondContact O-N 2.85Å; V1259-A1262 PolarHBondContact O-N 3.17Å; F1260-A1262 PolarHBondContact O-N 2.65Å; A1262-R1265 PolarHBondContact O-N 3.34Å; A1262-L1266 PolarHBondContact O-N 2.75Å; A1262-L1266 VanDerWaalsContact O-N 3.12Å
1263	N	67.8	Low	61.6	Low	69 Å²	69	68.7 Å²	68.7	37%	0.369	38%	0.375	S	S	.	.	H	α-helix	trans	-65.9	-40.6	176.8	-71.1	-15.9	0	0	0	112	V1259 F1260 R1265 L1266 A1267	V1259-N1263 WeakPolarHBondContact O-CB 3.11Å; V1259-N1263 PolarHBondContact O-N 2.72Å; V1259-N1263 PolarHBondContact O-ND2 3.43Å; F1260-N1263 PolarHBondContact O-N 3.26Å; N1263-R1265 VanDerWaalsContact C-N 3.29Å; N1263-R1265 PolarHBondContact O-N 3.28Å; N1263-L1266 PolarHBondContact O-N 3.38Å; N1263-A1267 PolarHBondContact O-N 2.99Å
1264	Q	64.6	Low	59.9	Low	125 Å²	125	71.1 Å²	71.1	58%	0.584	38%	0.381	S	S	*	.	H	α-helix	trans	-63.1	-33.9	173.3	-82.2	-171.1	-29.8	0	0	112.9	F1260 A1261	F1260-Q1264 HydrophobicContact CD1-CG 4.4Å; F1260-Q1264 HydrophobicContact CE1-CG 4.01Å; F1260-Q1264 VanDerWaalsContact CE1-NE2 3.26Å; F1260-Q1264 HydrophobicContact CZ-CG 4.19Å; F1260-Q1264 PolarHBondContact O-N 3.29Å; A1261-Q1264 PolarHBondContact O-N 3.37Å
1265	R	65.1	Low	58.4	Low	103 Å²	103	73.8 Å²	73.8	39%	0.389	39%	0.39	S	S	.	.	H	α-helix	trans	-72.5	-28.2	177.1	-69.9	166.3	-167.2	163.8	5.4	113	E336 N340 R343 A1261 A1262 N1263	E336-R1265 IonicContact OE1-NH2 3.63Å; E336-R1265 PolarHBondContact OE1-NH2 2.91Å; E336-R1265 VanDerWaalsContact OE1-NH2 3.14Å; N340-R1265 VanDerWaalsContact CG-NH2 3.34Å; N340-R1265 PolarHBondContact OD1-NH2 2.71Å; N340-R1265 VanDerWaalsContact OD1-NH2 3.11Å; R343-R1265 VanDerWaalsContact NH1-CD 3.32Å; A1261-R1265 WeakPolarHBondContact O-CD 3.29Å; A1261-R1265 WeakPolarHBondContact O-CG 3.3Å; A1261-R1265 PolarHBondContact O-N 3.15Å; A1262-R1265 PolarHBondContact O-N 3.34Å; N1263-R1265 VanDerWaalsContact C-N 3.29Å; N1263-R1265 PolarHBondContact O-N 3.28Å
1266	L	59.4	Low	56.6	Low	47 Å²	47	81.8 Å²	81.8	25%	0.246	43%	0.425	C	S	.	.	H	α-helix	trans	-89.4	-17.5	178.6	-77.1	153.2	0	0	0	112.8	A1262 N1263 G1268 T1269 R1271 I1275	A1262-L1266 PolarHBondContact O-N 2.75Å; A1262-L1266 VanDerWaalsContact O-N 3.12Å; N1263-L1266 PolarHBondContact O-N 3.38Å; L1266-G1268 PolarHBondContact O-N 3.33Å; L1266-T1269 PolarHBondContact O-N 3.17Å; L1266-T1269 PolarHBondContact O-OG1 3.33Å; L1266-R1271 HydrophobicContact CD2-CB 3.8Å; L1266-I1275 HydrophobicContact CB-CD1 3.59Å; L1266-I1275 HydrophobicContact CD1-CD1 3.68Å; L1266-I1275 HydrophobicContact CD2-CD1 4.38Å; L1266-I1275 HydrophobicContact CG-CD1 4.06Å
1267	A	46.6	Very low	54.8	Low	61 Å²	61	86.9 Å²	86.9	50%	0.504	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	121.5	176.4	0	0	0	0	0	111.1	N1263	N1263-A1267 PolarHBondContact O-N 2.99Å
1268	G	48.3	Very low	54	Low	70 Å²	70	90.6 Å²	90.6	72%	0.722	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.5	7	-177.9	0	0	0	0	0	115.8	L1266 E1272	L1266-G1268 PolarHBondContact O-N 3.33Å; G1268-E1272 WeakPolarHBondContact CA-OE2 3.42Å; G1268-E1272 PolarHBondContact N-OE2 3.05Å
1269	T	54.1	Low	53	Low	51 Å²	51	94.5 Å²	94.5	31%	0.313	49%	0.488	S	S	.	.	S	Bend	trans	-105.4	157	174.6	64.6	0	0	0	0	111.7	L1266 R1271 E1272	L1266-T1269 PolarHBondContact O-N 3.17Å; L1266-T1269 PolarHBondContact O-OG1 3.33Å; T1269-R1271 PolarHBondContact O-N 3.29Å; T1269-E1272 VanDerWaalsContact O-CB 3.26Å; T1269-E1272 WeakPolarHBondContact O-CB 3.44Å; T1269-E1272 PolarHBondContact O-N 3.13Å
1270	E	45.3	Very low	52	Low	166 Å²	166	97.9 Å²	97.9	78%	0.776	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-9.9	177.7	-77	-172.3	159.6	0	0	114.5	P1273	E1270-P1273 WeakPolarHBondContact O-CD 3.49Å
1271	R	45.8	Very low	51	Low	126 Å²	126	96.5 Å²	96.5	48%	0.475	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-5.5	174	-72.2	-174.1	176.1	179.9	2	114.4	L1266 T1269 L1274	L1266-R1271 HydrophobicContact CD2-CB 3.8Å; T1269-R1271 PolarHBondContact O-N 3.29Å; R1271-L1274 PolarHBondContact O-N 3.01Å; R1271-L1274 VanDerWaalsContact O-N 3.16Å
1272	E	39.7	Very low	49.9	Very low	85 Å²	85	101.9 Å²	101.9	40%	0.397	53%	0.528	S	S	.	.	G	3₁₀ helix	trans	-57.1	-33.5	177.9	-162.8	171.2	173.2	0	0	115.4	G1268 T1269	G1268-E1272 WeakPolarHBondContact CA-OE2 3.42Å; G1268-E1272 PolarHBondContact N-OE2 3.05Å; T1269-E1272 VanDerWaalsContact O-CB 3.26Å; T1269-E1272 WeakPolarHBondContact O-CB 3.44Å; T1269-E1272 PolarHBondContact O-N 3.13Å
1273	P	42.1	Very low	48.6	Very low	86 Å²	86	107.3 Å²	107.3	56%	0.558	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-73	-24.3	175.8	-8.3	22.7	0	0	0	113.8	E1270 I1275 K1276	E1270-P1273 WeakPolarHBondContact O-CD 3.49Å; P1273-I1275 VanDerWaalsContact C-N 3.28Å; P1273-I1275 PolarHBondContact O-N 3.17Å; P1273-K1276 PolarHBondContact O-N 2.91Å
1274	L	41.5	Very low	47.3	Very low	134 Å²	134	110.1 Å²	110.1	70%	0.702	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-78.1	-10.3	-177.6	-73.6	163.9	0	0	0	113.5	R1271	R1271-L1274 PolarHBondContact O-N 3.01Å; R1271-L1274 VanDerWaalsContact O-N 3.16Å
1275	I	41.2	Very low	45.9	Very low	87 Å²	87	108.9 Å²	108.9	45%	0.446	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-92.3	-19	177.5	-57.6	169.6	0	0	0	110.9	L1266 P1273	L1266-I1275 HydrophobicContact CB-CD1 3.59Å; L1266-I1275 HydrophobicContact CD1-CD1 3.68Å; L1266-I1275 HydrophobicContact CD2-CD1 4.38Å; L1266-I1275 HydrophobicContact CG-CD1 4.06Å; P1273-I1275 VanDerWaalsContact C-N 3.28Å; P1273-I1275 PolarHBondContact O-N 3.17Å
1276	K	34.1	Very low	44.3	Very low	172 Å²	172	109.4 Å²	109.4	75%	0.748	58%	0.579	S	S	*	*			trans	-88.8	-6.7	-179.7	-75.1	-178.2	176.5	173.9	0	113.9	P1273	P1273-K1276 PolarHBondContact O-N 2.91Å
1277	H	34.1	Very low	43	Very low	228 Å²	228	115.1 Å²	115.1	100%	1.056	61%	0.609	S	S	*	*			trans	-123.6	0	173.6	-76.1	-51.4	0	0	0	110

Retrieved 1,277 of 1,277 residues in 2337.3 ms (Link to these results)

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