A0A087YNX5_POEFO Loading...

Metabotropic glutamate receptor 5

G-protein coupled receptor for glutamate. Ligand binding causes a conformation change that triggers signaling via guanine nucleotide-binding proteins (G proteins) and modulates the activity of down-stream effectors. Signaling activates a phosphatidylinositol-calcium second messenger system and generates a calcium-activated chloride current. Plays an important role in the regulation of synaptic plasticity and the modulation of the neural network activity.

AlphaFold DB , UniProt , Accession A0A087YNX5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,161 aa.

						>A0A087YNX5_POEFO|A0A087YNX5
MARVKMSFFALLCLPACLVITHSSGSIHERSVVPRAASRSVARMDGDVIIGALFSVHHQPSAEKVAERKCGDVREQYGIQRVEAMFHTLDRINADQHLLPNISLGCEIRDSCWHSSVALEQSIEFIRDSLISIRDDKDGSKWCIDGTPSNQPPPSKKPIAGVIGPGSSSVAIQVQNLLQLFNIPQIAYSATSIDLSDKTLFKYFLRVVPSDTLQARAMLDIVKLHNWTYVSAVHTEGNYGESGMEAFKELASQEGLCIAHSDKIYSNAGEKHFDRLLGKLKERLPKARVVVCFCEGMTVRNLLMAMRRQRVRGEFLLVGSDGWADRYEVVEGYEEEAEGGITMKLQSEVVKSFDDYYLKLRLDKNTRNPWFAEFWQYRFQCRLPGHPQENKNYKKVCSGKEGLHENYVQDSKMGFVINAIYAMAHGLHDMHKELCPGQTGLCEAMDPIDGSKLLDYLLKTSFRGVSGEEIYFDENGDTPGRYDIMNLQNVGDERFDYINVGSWHEGILNIDDNKLWMNSSEMVRSVCSDPCSKGQIKVIRKGEVSCCWICTTCKDNEYVQDEFTCKACELGWWPDEYLAGCQPLPLKYLDWADVESIVAVVFSCVGILITSFVTFIFIQYRDTPVVKSSSRELCYIILAGIFLGYICPFTLIARPTVASCYLQRLLVGLSSAMCYSALVTKTNRIARILAGSKKKICTRKPRFMSAWAQVIIAFMLISVQLTLEITLIILEPPEPIKSYPSIREVYLICNTSNVGMVAPLGYNGLLIMSCTYYAFKTRNVPANFNEAKYIAFTMYTTCIIWLAFVPIYFGSNYKIITTSFSVSLSVTVALGCMFTPKMYIIIAKPERNVRSAFTTSDVVRMHVGDGKSAAQCGSNSFLNMFRRKKAISGNANSNGKSVSWSESGPRHPPRGGNVWHRLSVHVRKQEAGSNQTAVIRPLTNTPDPHSCEPSTGNHGTDPQPPQDTPGTKPPCNKAEDDDQGDAQRPLWTPTCSEQTQQGLEFDLDEPASDLPSDLTRPTRECLQGELLNTHSSHVPALKSRTSFEQIPANEPLSLTPSQFPSDPRLGEFEDEGSEDEELDLLHSYIYDAKEEGEGDEGEGEDLTPNKTILEDSLALSPPSPFRDSLCSGDSANGSPIIDSMLGSSVYTSNILQNFAHSSSTL
					

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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	32.3	Very low	29.4	Very low	240 Å²	240	151.3 Å²	151.3	100%	1.182	77%	0.774	S	S	*	*				0	122.7	0	-69.5	172.1	-180	0	0	106.3
2	A	29.3	Very low	29.5	Very low	92 Å²	92	151.1 Å²	151.1	76%	0.76	77%	0.774	S	S	*	*				65.6	131.1	97.6	0	0	0	0	0	112.9
3	R	26.9	Very low	29.2	Very low	228 Å²	228	147.4 Å²	147.4	86%	0.86	77%	0.768	S	S	*	*			cis	-169.7	160.2	2.5	-126.5	-178.5	-176.2	173	1.3	108.4
4	V	30.2	Very low	29.4	Very low	118 Å²	118	148.3 Å²	148.3	72%	0.715	77%	0.773	S	S	*	*			trans	69.5	132.3	149	165.2	0	0	0	0	116.1
5	K	30.6	Very low	30.6	Very low	161 Å²	161	145.5 Å²	145.5	70%	0.7	77%	0.767	S	S	*	*			cis	-164.2	150.6	-1.6	-120.6	-174.7	-176.5	-175	0	112.1
6	M	29.5	Very low	30.6	Very low	154 Å²	154	141.9 Å²	141.9	76%	0.759	77%	0.765	S	S	*	*			trans	43.4	151.9	131.4	-70.7	169.4	64.3	0	0	121.9
7	S	29.2	Very low	30.5	Very low	65 Å²	65	140 Å²	140	46%	0.455	76%	0.764	S	S	.	*			cis	177.8	162	-13.4	-176.6	0	0	0	0	108.5	F9	S7-F9 WeakPolarHBondContact OG-CD2 3.43Å
8	F	28.9	Very low	30.5	Very low	197 Å²	197	141.9 Å²	141.9	86%	0.864	77%	0.772	S	S	*	*			trans	164	109.4	138.4	-95.4	-74.9	0	0	0	106.7
9	F	28.6	Very low	30.6	Very low	181 Å²	181	139.9 Å²	139.9	79%	0.794	77%	0.765	S	S	*	*				58.4	138.7	69.7	-80.2	-111.8	0	0	0	114.5	S7	S7-F9 WeakPolarHBondContact OG-CD2 3.43Å
10	A	27.9	Very low	30.7	Very low	75 Å²	75	140.2 Å²	140.2	62%	0.62	76%	0.764	S	S	*	*			cis	-171.1	160.6	-18.6	0	0	0	0	0	111.2
11	L	29.8	Very low	30.7	Very low	153 Å²	153	139.4 Å²	139.4	80%	0.801	76%	0.763	S	S	*	*			trans	31.2	127.4	148.1	-93.5	74.2	0	0	0	123.1
12	L	30.8	Very low	30.6	Very low	149 Å²	149	136.5 Å²	136.5	78%	0.78	75%	0.747	S	S	*	*				49.3	119.7	124.6	-89.4	164.6	0	0	0	121.6
13	C	25.4	Very low	30.8	Very low	103 Å²	103	137.1 Å²	137.1	70%	0.696	75%	0.745	S	S	*	*				159.9	126.6	112.9	-90.1	0	0	0	0	114.5
14	L	32.4	Very low	30.9	Very low	160 Å²	160	132.3 Å²	132.3	84%	0.838	75%	0.746	S	S	*	*				44.8	169.3	128.2	-72.6	166	0	0	0	122.1
15	P	47.7	Very low	31.5	Very low	106 Å²	106	130.7 Å²	130.7	69%	0.688	75%	0.754	S	S	*	*			cis	-136.6	163.1	-18.3	32.8	-12.4	0	0	0	117
16	A	30.3	Very low	31.4	Very low	89 Å²	89	128.7 Å²	128.7	74%	0.736	76%	0.76	S	S	*	*			trans	43.6	145.8	132.1	0	0	0	0	0	126.8
17	C	28.7	Very low	31.7	Very low	109 Å²	109	128.6 Å²	128.6	74%	0.736	76%	0.761	S	S	*	*			trans	78.7	114.6	141.6	-76.1	0	0	0	0	123.1
18	L	30.4	Very low	31.9	Very low	175 Å²	175	134.1 Å²	134.1	92%	0.916	78%	0.779	S	S	*	*			trans	-155.9	63.7	133	-120.4	170.2	0	0	0	115.6
19	V	31.9	Very low	32.1	Very low	104 Å²	104	133.8 Å²	133.8	63%	0.63	78%	0.78	S	S	*	*			trans	20.3	112.5	136.4	176.8	0	0	0	0	120.3
20	I	33.2	Very low	32.3	Very low	145 Å²	145	136.2 Å²	136.2	74%	0.744	78%	0.784	S	S	*	*			trans	60.7	122.9	136.3	-56.4	174.3	0	0	0	120.7
21	T	31.7	Very low	32.4	Very low	123 Å²	123	137.9 Å²	137.9	76%	0.755	79%	0.792	S	S	*	*				-167.7	154.2	116.2	12.6	0	0	0	0	115.9
22	H	29.2	Very low	32.6	Very low	180 Å²	180	136.8 Å²	136.8	83%	0.833	79%	0.791	S	S	*	*			trans	68.8	116.5	163.4	-78.8	-69	0	0	0	122.2
23	S	33.9	Very low	32.7	Very low	104 Å²	104	135.4 Å²	135.4	73%	0.727	79%	0.788	S	S	*	*			trans	-97.4	148.9	162.1	53.6	0	0	0	0	111.9
24	S	29.5	Very low	33.1	Very low	127 Å²	127	136 Å²	136	89%	0.888	79%	0.791	S	S	*	*			trans	-158.9	142.1	144.6	-81.7	0	0	0	0	108.1
25	G	41.7	Very low	33.4	Very low	85 Å²	85	137.1 Å²	137.1	88%	0.876	78%	0.784	S	S	*	*			trans	-75.3	141.7	-173.1	0	0	0	0	0	112.7
26	S	29.1	Very low	33.3	Very low	118 Å²	118	135.1 Å²	135.1	83%	0.825	78%	0.776	S	S	*	*			trans	-116.1	153	155.4	-167.1	0	0	0	0	109.3
27	I	35	Very low	34.2	Very low	152 Å²	152	134.8 Å²	134.8	78%	0.779	77%	0.774	S	S	*	*			trans	-69.2	143.7	-175.4	-65.8	160.7	0	0	0	109.4	E29	I27-E29 PolarHBondContact O-N 3.38Å
28	H	33.1	Very low	35.9	Very low	181 Å²	181	135.3 Å²	135.3	84%	0.838	78%	0.779	S	S	*	*			trans	-64.5	100.8	165.9	-88.7	7	0	0	0	109.7	R30	H28-R30 PolarHBondContact O-N 2.89Å
29	E	32.6	Very low	38.3	Very low	190 Å²	190	131 Å²	131	89%	0.888	75%	0.75	S	S	*	*			trans	-61.6	105.4	154.5	-77.3	-166.4	117.3	0	0	108	I27 S31	I27-E29 PolarHBondContact O-N 3.38Å; E29-S31 PolarHBondContact O-N 2.83Å
30	R	32.8	Very low	40.9	Very low	232 Å²	232	128.4 Å²	128.4	88%	0.875	74%	0.737	S	S	*	*			trans	-67.2	105.4	176.7	-167.5	-179.4	-162.6	170.9	4.5	107.2	H28 V32	H28-R30 PolarHBondContact O-N 2.89Å; R30-V32 PolarHBondContact O-N 3.1Å
31	S	30.4	Very low	43.6	Very low	111 Å²	111	124.1 Å²	124.1	78%	0.776	72%	0.717	S	S	*	*			trans	-44.2	112.4	-174.5	-174.6	0	0	0	0	111.4	E29 V33	E29-S31 PolarHBondContact O-N 2.83Å; S31-V33 PolarHBondContact O-N 2.87Å
32	V	34.5	Very low	46.5	Very low	130 Å²	130	118.3 Å²	118.3	79%	0.788	68%	0.681	S	S	*	*			trans	-77.5	94.4	-179.1	-179.4	0	0	0	0	107.3	R30 P34	R30-V32 PolarHBondContact O-N 3.1Å; V32-P34 WeakPolarHBondContact O-CD 3.38Å
33	V	33.2	Very low	49.4	Very low	119 Å²	119	113.2 Å²	113.2	72%	0.721	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-50.6	122.2	164.9	178.5	0	0	0	0	107.2	S31 R35	S31-V33 PolarHBondContact O-N 2.87Å; V33-R35 PolarHBondContact O-N 2.96Å
34	P	33.4	Very low	52.2	Low	115 Å²	115	109.9 Å²	109.9	75%	0.747	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-55.9	116.3	-180	-27.2	35.6	0	0	0	109.8	V32 A36	V32-P34 WeakPolarHBondContact O-CD 3.38Å; P34-A36 PolarHBondContact O-N 3.23Å; P34-A36 VanDerWaalsContact O-N 3.15Å
35	R	39.8	Very low	55.1	Low	185 Å²	185	109.1 Å²	109.1	70%	0.698	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-59.5	121	177.5	-172.6	178	-175.3	173.8	2.9	107.6	V33 A37 D145	V33-R35 PolarHBondContact O-N 2.96Å; R35-A37 PolarHBondContact O-N 3.35Å; R35-D145 IonicContact CZ-OD1 3.72Å; R35-D145 IonicContact CZ-OD2 2.69Å; R35-D145 VanDerWaalsContact NH1-CG 3.3Å; R35-D145 IonicContact NH1-OD1 2.69Å; R35-D145 IonicContact NH1-OD2 3.99Å; R35-D145 PolarHBondContact NH1-OD2 2.97Å; R35-D145 VanDerWaalsContact NH2-CG 3.31Å; R35-D145 IonicContact NH2-OD1 2.85Å; R35-D145 PolarHBondContact NH2-OD1 2.93Å; R35-D145 IonicContact NH2-OD2 2.77Å; R35-D145 PolarHBondContact NH2-OD2 3.46Å
36	A	44.1	Very low	57.4	Low	63 Å²	63	106 Å²	106	52%	0.521	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-52.3	132.3	178.8	0	0	0	0	0	109.6	P34 S38	P34-A36 PolarHBondContact O-N 3.23Å; P34-A36 VanDerWaalsContact O-N 3.15Å; A36-S38 PolarHBondContact O-N 3.01Å
37	A	50.2	Low	60.4	Low	83 Å²	83	103.4 Å²	103.4	69%	0.686	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-60.7	129.4	-178.8	0	0	0	0	0	109.5	R35 R39	R35-A37 PolarHBondContact O-N 3.35Å; A37-R39 PolarHBondContact O-N 2.76Å
38	S	63.3	Low	63.2	Low	120 Å²	120	96.5 Å²	96.5	84%	0.839	52%	0.524	S	S	*	.			trans	-56.3	113.9	-177.8	51.7	0	0	0	0	110.4	A36	A36-S38 PolarHBondContact O-N 3.01Å
39	R	81.4	Confident	66	Low	84 Å²	84	88 Å²	88	32%	0.317	49%	0.485	S	S	.	.			trans	-69.5	143.2	176.8	-62.5	-62.1	-179.7	138.7	2.5	110.4	A37 R68 C70	A37-R39 PolarHBondContact O-N 2.76Å; R39-R68 PolarHBondContact NH2-O 2.97Å; R39-C70 PolarHBondContact NH1-SG 3Å; R39-C70 VanDerWaalsContact NH1-SG 3.37Å
40	S	85.7	Confident	69.1	Low	50 Å²	50	79 Å²	79	35%	0.35	44%	0.442	S	S	.	.			trans	-59	146.6	166	-52.9	0	0	0	0	110.4	W370	S40-W370 VanDerWaalsContact O-CZ2 3.32Å; S40-W370 WeakPolarHBondContact O-CZ2 3.44Å
41	V	90.6	Very high	72.1	Confident	54 Å²	54	68 Å²	68	33%	0.327	40%	0.401	S	S	.	.			trans	-136.4	131.9	173.9	58.1	0	0	0	0	107.7	E107 R109	V41-E107 HydrophobicContact CG2-CG 3.32Å; V41-R109 HydrophobicContact CB-CG 4.42Å; V41-R109 HydrophobicContact CG2-CG 3.82Å
42	A	92.8	Very high	75.3	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.008	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	130.1	172.4	0	0	0	0	0	108	V82 F86 I108 P369 W370	A42-V82 HydrophobicContact CB-CG1 4.41Å; A42-F86 HydrophobicContact CB-CE2 4.08Å; A42-F86 HydrophobicContact CB-CZ 3.69Å; A42-I108 HydrophobicContact CB-CB 4.13Å; A42-I108 PolarHBondContact N-O 3.33Å; A42-I108 PolarHBondContact O-N 2.73Å; A42-P369 HydrophobicContact CB-CG 4.11Å; A42-W370 HydrophobicContact CB-CE3 4.47Å; A42-W370 HydrophobicContact CB-CZ3 3.81Å
43	R	90.8	Very high	78.3	Confident	74 Å²	74	56.5 Å²	56.5	28%	0.279	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	141.6	-169.9	-176.3	174.9	171.4	106.2	4.1	111.3	D45 C106 E107	R43-D45 IonicContact CZ-OD1 3.23Å; R43-D45 IonicContact NE-OD1 2.73Å; R43-D45 PolarHBondContact NE-OD1 2.87Å; R43-D45 IonicContact NH2-OD1 3.07Å; R43-D45 PolarHBondContact NH2-OD1 3.26Å; R43-C106 WeakPolarHBondContact CA-O 3.38Å; R43-E107 IonicContact CZ-OE2 3.41Å; R43-E107 IonicContact NH1-OE2 3.28Å; R43-E107 PolarHBondContact NH1-OE2 3.02Å
44	M	92.4	Very high	81.4	Confident	33 Å²	33	50.8 Å²	50.8	16%	0.163	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	124.5	165.9	-173.1	167.8	73	0	0	107.5	F86 L89 L104 G105 C106	M44-F86 HydrophobicContact CB-CD1 4.34Å; M44-F86 HydrophobicContact CB-CE1 4.03Å; M44-F86 HydrophobicContact SD-CD1 4.43Å; M44-L89 HydrophobicContact CE-CB 3.53Å; M44-L89 HydrophobicContact CE-CD1 3.98Å; M44-L89 HydrophobicContact CE-CG 4.42Å; M44-L104 WeakPolarHBondContact CE-O 3.41Å; M44-G105 CarbonylContact O-C 3.49Å; M44-G105 WeakPolarHBondContact O-CA 3.21Å; M44-C106 PolarHBondContact N-O 3.16Å; M44-C106 PolarHBondContact O-N 3.24Å
45	D	90.5	Very high	84.2	Confident	112 Å²	112	45.4 Å²	45.4	60%	0.599	26%	0.257	S	S	*	.			trans	-76.9	154.8	177.8	-64.2	-61.1	0	0	0	111.1	R43	R43-D45 IonicContact CZ-OD1 3.23Å; R43-D45 IonicContact NE-OD1 2.73Å; R43-D45 PolarHBondContact NE-OD1 2.87Å; R43-D45 IonicContact NH2-OD1 3.07Å; R43-D45 PolarHBondContact NH2-OD1 3.26Å
46	G	90.6	Very high	86.9	Confident	19 Å²	19	36.6 Å²	36.6	20%	0.196	22%	0.223	C	C	.	.			trans	-175.8	-175.7	-179.4	0	0	0	0	0	111.9	S103	G46-S103 VanDerWaalsContact CA-OG 3.31Å; G46-S103 WeakPolarHBondContact CA-OG 3.43Å
47	D	90.6	Very high	89.2	Confident	63 Å²	63	34.4 Å²	34.4	34%	0.337	20%	0.203	S	C	.	.	S	Bend	trans	-73.3	-37.8	-179.8	-65.8	-59.3	0	0	0	112.7	I102 S103 K157	D47-I102 HydrophobicContact CB-CG2 4.09Å; D47-S103 WeakPolarHBondContact CA-O 3.45Å; D47-S103 WeakPolarHBondContact CB-O 3.4Å; D47-S103 VanDerWaalsContact CG-OG 3.3Å; D47-S103 PolarHBondContact N-O 3.49Å; D47-S103 PolarHBondContact N-OG 3.31Å; D47-S103 WeakPolarHBondContact OD2-CB 3.41Å; D47-S103 PolarHBondContact OD2-N 2.97Å; D47-S103 PolarHBondContact OD2-OG 2.89Å; D47-K157 WeakPolarHBondContact O-CD 3.43Å; D47-K157 PolarHBondContact O-NZ 3.47Å; D47-K157 IonicContact OD1-NZ 2.93Å
48	V	93.3	Very high	90.9	Very high	8 Å²	8	33.8 Å²	33.8	5%	0.048	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.7	175.2	179.1	0	0	0	0	108.8	I102 S103 L104 G105 A160 L427 L441 I448	V48-I102 HydrophobicContact CG2-CG2 4.12Å; V48-S103 PolarHBondContact N-O 3.33Å; V48-S103 VanDerWaalsContact N-O 3.13Å; V48-L104 HydrophobicContact CB-CD2 3.95Å; V48-L104 HydrophobicContact CG1-CD2 4.36Å; V48-G105 PolarHBondContact O-N 3.23Å; V48-A160 HydrophobicContact CG1-CB 3.66Å; V48-L427 HydrophobicContact CG1-CD1 4.14Å; V48-L441 HydrophobicContact CG2-CD1 4.21Å; V48-I448 HydrophobicContact CB-CD1 4.36Å; V48-I448 HydrophobicContact CG1-CD1 3.64Å; V48-I448 HydrophobicContact CG2-CD1 3.74Å
49	I	93.5	Very high	91.9	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.015	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125	-179.6	-53.4	-59.4	0	0	0	110.7	E107 K157 I159 A160	I49-E107 HydrophobicContact CG2-CB 4.2Å; I49-K157 HydrophobicContact CG1-CB 3.97Å; I49-I159 HydrophobicContact CG2-CG1 4.06Å; I49-I159 WeakPolarHBondContact O-CA 3.33Å; I49-A160 PolarHBondContact O-N 3.23Å
50	I	96.6	Very high	91.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125.1	172.8	-60.1	168	0	0	0	109.1	M85 L89 L104 G105 C106 E107 I163 M423	I50-M85 HydrophobicContact CB-CE 4.25Å; I50-M85 HydrophobicContact CG2-CE 3.88Å; I50-L89 HydrophobicContact CD1-CD2 4.41Å; I50-L104 HydrophobicContact CD1-CD1 4.02Å; I50-L104 HydrophobicContact CD1-CD2 4.36Å; I50-G105 PolarHBondContact N-O 2.93Å; I50-C106 CarbonylContact O-C 3.46Å; I50-C106 WeakPolarHBondContact O-CA 3.02Å; I50-C106 WeakPolarHBondContact O-CB 3.43Å; I50-E107 PolarHBondContact O-N 3.2Å; I50-I163 HydrophobicContact CG2-CD1 3.85Å; I50-I163 HydrophobicContact CG2-CG1 4.02Å; I50-M423 HydrophobicContact CD1-CB 4.29Å; I50-M423 HydrophobicContact CD1-CG 3.68Å; I50-M423 HydrophobicContact CG1-CG 4.03Å; I50-M423 HydrophobicContact CG2-CG 4.43Å
51	G	96.3	Very high	91.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	151	174.5	0	0	0	0	0	111.5	E107 G161 V162 I163	G51-E107 CarbonylContact C-O 3.55Å; G51-E107 WeakPolarHBondContact CA-O 3.41Å; G51-G161 PolarHBondContact N-O 3.32Å; G51-V162 CarbonylContact O-C 3.54Å; G51-V162 WeakPolarHBondContact O-CA 3.37Å; G51-I163 PolarHBondContact O-N 3.02Å
52	A	97.7	Very high	90.6	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	142.9	171	0	0	0	0	0	113.9	F54 M85 E107 I108 R109 I163	A52-F54 HydrophobicContact CB-CD2 4.47Å; A52-F54 HydrophobicContact CB-CE2 4Å; A52-F54 HydrophobicContact CB-CZ 4.06Å; A52-M85 HydrophobicContact CB-CE 3.81Å; A52-M85 HydrophobicContact CB-SD 3.38Å; A52-M85 WeakPolarHBondContact CB-SD 3.45Å; A52-E107 PolarHBondContact N-O 3.43Å; A52-I108 HydrophobicContact CB-CG1 4.37Å; A52-I108 HydrophobicContact CB-CG2 4.29Å; A52-R109 PolarHBondContact O-N 3.48Å; A52-I163 WeakPolarHBondContact CA-O 3.4Å; A52-I163 HydrophobicContact CB-CB 4.43Å
53	L	97.8	Very high	89.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	80.9	178	-67.8	175.5	0	0	0	110.7	R109 Q121 F125 V162 I163 P165 V174 Y188	L53-R109 WeakPolarHBondContact CA-O 3.23Å; L53-R109 HydrophobicContact CD2-CB 4.2Å; L53-Q121 HydrophobicContact CD2-CB 3.95Å; L53-F125 HydrophobicContact CD1-CE2 4.48Å; L53-F125 HydrophobicContact CD2-CE2 3.77Å; L53-F125 HydrophobicContact CD2-CZ 4.18Å; L53-F125 HydrophobicContact CG-CE2 3.9Å; L53-V162 HydrophobicContact CD1-CG1 4.4Å; L53-V162 HydrophobicContact CG-CG1 4.39Å; L53-I163 PolarHBondContact N-O 3.11Å; L53-P165 HydrophobicContact CB-CB 3.96Å; L53-P165 WeakPolarHBondContact O-CA 3.33Å; L53-V174 HydrophobicContact CD1-CG1 3.91Å; L53-V174 HydrophobicContact CD1-CG2 3.81Å; L53-Y188 PolarHBondContact O-OH 3.24Å
54	F	97.1	Very high	88.8	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	162.1	170	-57.7	-46.4	0	0	0	111	A52 R81 V82 M85 I108 R109 S111 Y188 V416	A52-F54 HydrophobicContact CB-CD2 4.47Å; A52-F54 HydrophobicContact CB-CE2 4Å; A52-F54 HydrophobicContact CB-CZ 4.06Å; F54-R81 HydrophobicContact CB-CB 4.42Å; F54-R81 HydrophobicContact CD1-CB 3.78Å; F54-R81 HydrophobicContact CD2-CB 4.04Å; F54-R81 HydrophobicContact CE1-CB 4.01Å; F54-R81 HydrophobicContact CE2-CB 4.25Å; F54-R81 WeakPolarHBondContact CE2-O 3.41Å; F54-R81 HydrophobicContact CG-CB 3.81Å; F54-R81 HydrophobicContact CZ-CB 4.25Å; F54-V82 HydrophobicContact CB-CG2 4.49Å; F54-V82 HydrophobicContact CD2-CG2 3.94Å; F54-M85 HydrophobicContact CE2-CB 3.76Å; F54-M85 HydrophobicContact CE2-CG 4.38Å; F54-M85 HydrophobicContact CE2-SD 3.78Å; F54-M85 HydrophobicContact CZ-CB 3.96Å; F54-M85 HydrophobicContact CZ-CG 4.45Å; F54-M85 HydrophobicContact CZ-SD 3.95Å; F54-I108 HydrophobicContact CD2-CG2 3.55Å; F54-I108 HydrophobicContact CE2-CD1 4.46Å; F54-I108 HydrophobicContact CE2-CG2 4Å; F54-R109 PolarHBondContact N-O 2.97Å; F54-S111 VanDerWaalsContact C-OG 3.22Å; F54-S111 PolarHBondContact O-N 3.31Å; F54-S111 PolarHBondContact O-OG 3.05Å; F54-Y188 AromaticContact CD1-CE1 3.85Å; F54-Y188 HydrophobicContact CD1-CE1 3.85Å; F54-Y188 AromaticContact CD1-CZ 3.95Å; F54-Y188 HydrophobicContact CE1-CD1 4.4Å; F54-Y188 AromaticContact CE1-CE1 3.71Å; F54-Y188 HydrophobicContact CE1-CE1 3.71Å; F54-V416 HydrophobicContact CE1-CG1 3.84Å; F54-V416 HydrophobicContact CZ-CG1 3.89Å
55	S	93.9	Very high	88	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.007	22%	0.223	C	C	.	.			trans	-104.2	78.5	179.3	-55	0	0	0	0	108.7	H57 G78 S111	S55-H57 VanDerWaalsContact C-N 3.25Å; S55-H57 PolarHBondContact O-N 3.49Å; S55-G78 WeakPolarHBondContact O-CA 3.29Å; S55-S111 WeakPolarHBondContact CA-OG 3.23Å; S55-S111 PolarHBondContact N-OG 3.16Å; S55-S111 PolarHBondContact OG-OG 3.16Å
56	V	95.2	Very high	87.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.233	C	C	.	.			trans	-66.3	-33.5	-175.4	-172.2	0	0	0	0	110.4	V73 R74 I79 V82 D110 W370	V56-V73 CarbonylContact O-C 3.59Å; V56-V73 WeakPolarHBondContact O-CA 3.25Å; V56-R74 PolarHBondContact O-N 3.47Å; V56-I79 HydrophobicContact CG1-CD1 3.89Å; V56-V82 HydrophobicContact CG2-CG2 4.03Å; V56-D110 HydrophobicContact CB-CB 4.2Å; V56-D110 HydrophobicContact CG2-CB 4.07Å; V56-D110 PolarHBondContact N-OD1 3.34Å; V56-W370 HydrophobicContact CB-CD2 4.48Å; V56-W370 HydrophobicContact CG1-CB 3.94Å; V56-W370 HydrophobicContact CG1-CD2 3.84Å; V56-W370 HydrophobicContact CG1-CE3 4.21Å; V56-W370 HydrophobicContact CG1-CG 3.72Å; V56-W370 HydrophobicContact CG2-CD2 4.26Å; V56-W370 HydrophobicContact CG2-CE3 4.04Å; V56-W370 HydrophobicContact CG2-CH2 4.33Å; V56-W370 HydrophobicContact CG2-CZ3 4.08Å
57	H	92.8	Very high	87	Confident	18 Å²	18	44 Å²	44	8%	0.083	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-114.7	160.9	176.3	-62	88.6	0	0	0	113.3	S55 C70 G71 D72 V73 D110 W370 E373	S55-H57 VanDerWaalsContact C-N 3.25Å; S55-H57 PolarHBondContact O-N 3.49Å; H57-C70 HydrophobicContact CB-CB 3.59Å; H57-G71 WeakPolarHBondContact CB-O 3.44Å; H57-G71 PolarHBondContact CD2-O 3.18Å; H57-G71 VanDerWaalsContact CD2-O 3.22Å; H57-D72 CarbonylContact C-O 3.57Å; H57-D72 VanDerWaalsContact CA-O 3.26Å; H57-D72 WeakPolarHBondContact CA-O 3.46Å; H57-V73 WeakPolarHBondContact NE2-CG2 3.43Å; H57-D110 IonicContact CE1-OD2 3.81Å; H57-D110 IonicContact CG-OD2 3.66Å; H57-D110 IonicContact ND1-OD2 2.76Å; H57-D110 PolarHBondContact ND1-OD2 3.48Å; H57-W370 AromaticContact CE1-CD1 3.69Å; H57-W370 AromaticContact CE1-NE1 3.84Å; H57-E373 IonicContact NE2-OE1 2.7Å; H57-E373 IonicContact NE2-OE2 3.39Å
58	H	85.8	Confident	86.6	Confident	70 Å²	70	46.1 Å²	46.1	32%	0.324	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-64.9	157.6	165.1	-77	-92.4	0	0	0	111.7	C70 G71 D72	H58-C70 WeakPolarHBondContact O-CB 3.34Å; H58-G71 PolarHBondContact O-N 3.4Å; H58-D72 PolarHBondContact CD2-O 2.88Å; H58-D72 PolarHBondContact N-O 3.28Å
59	Q	83.4	Confident	86.2	Confident	80 Å²	80	51.1 Å²	51.1	37%	0.374	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-62.6	149.2	177.9	69.5	-173.6	9.2	0	0	112.9	C112 W113	Q59-C112 WeakPolarHBondContact CA-O 3.21Å; Q59-W113 HydrophobicContact CB-CB 4.45Å
60	P	83.1	Confident	86	Confident	9 Å²	9	52.4 Å²	52.4	6%	0.058	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-56.8	139.2	172.5	24.2	-34.7	0	0	0	111.1	V65 K69 H114	P60-V65 HydrophobicContact CB-CG2 4.27Å; P60-V65 HydrophobicContact CG-CG2 4.19Å; P60-K69 WeakPolarHBondContact CB-O 3.12Å; P60-H114 HydrophobicContact CG-CB 4.38Å
61	S	75.9	Confident	85.5	Confident	55 Å²	55	53.8 Å²	53.8	39%	0.385	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-65.5	155.3	167.7	64.9	0	0	0	0	110.3	E63 K64 V65	S61-E63 PolarHBondContact O-N 3.02Å; S61-E63 VanDerWaalsContact O-N 3.09Å; S61-K64 CarbonylContact O-C 3.5Å; S61-K64 WeakPolarHBondContact O-CA 3.48Å; S61-K64 PolarHBondContact O-N 3.37Å; S61-K64 WeakPolarHBondContact OG-CD 3.49Å; S61-V65 WeakPolarHBondContact O-CG2 3.35Å; S61-V65 PolarHBondContact O-N 3.05Å; S61-V65 VanDerWaalsContact O-N 3.16Å
62	A	71.8	Confident	85.2	Confident	84 Å²	84	58.3 Å²	58.3	69%	0.694	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-49.9	-41.4	-174.5	0	0	0	0	0	113.7	K64	A62-K64 VanDerWaalsContact C-N 3.29Å; A62-K64 PolarHBondContact O-N 3Å
63	E	72.1	Confident	84.9	Confident	174 Å²	174	58.5 Å²	58.5	81%	0.813	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-64.1	-28.2	176.5	-58.9	171	163.8	0	0	113.9	S61	S61-E63 PolarHBondContact O-N 3.02Å; S61-E63 VanDerWaalsContact O-N 3.09Å
64	K	74.1	Confident	84.6	Confident	98 Å²	98	59.6 Å²	59.6	43%	0.426	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-103.5	-3.7	-172	-64.1	177.7	-173.6	169.7	0	113.8	S61 A62 A66 E67 R68	S61-K64 CarbonylContact O-C 3.5Å; S61-K64 WeakPolarHBondContact O-CA 3.48Å; S61-K64 PolarHBondContact O-N 3.37Å; S61-K64 WeakPolarHBondContact OG-CD 3.49Å; A62-K64 VanDerWaalsContact C-N 3.29Å; A62-K64 PolarHBondContact O-N 3Å; K64-A66 VanDerWaalsContact C-N 3.26Å; K64-A66 PolarHBondContact O-N 3.08Å; K64-E67 CarbonylContact O-C 3.43Å; K64-E67 PolarHBondContact O-N 2.95Å; K64-R68 PolarHBondContact O-N 3.14Å
65	V	76.9	Confident	84.2	Confident	53 Å²	53	61.3 Å²	61.3	32%	0.321	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-41.8	178.6	179.9	0	0	0	0	111.4	P60 S61 E67 R68	P60-V65 HydrophobicContact CB-CG2 4.27Å; P60-V65 HydrophobicContact CG-CG2 4.19Å; S61-V65 WeakPolarHBondContact O-CG2 3.35Å; S61-V65 PolarHBondContact O-N 3.05Å; S61-V65 VanDerWaalsContact O-N 3.16Å; V65-E67 VanDerWaalsContact C-N 3.32Å; V65-E67 PolarHBondContact O-N 2.78Å; V65-R68 PolarHBondContact O-N 3.21Å
66	A	78.1	Confident	83.9	Confident	98 Å²	98	64.2 Å²	64.2	81%	0.81	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-35.3	178.2	0	0	0	0	0	113.1	K64 R68	K64-A66 VanDerWaalsContact C-N 3.26Å; K64-A66 PolarHBondContact O-N 3.08Å; A66-R68 VanDerWaalsContact C-N 3.3Å
67	E	80.9	Confident	83.6	Confident	109 Å²	109	65 Å²	65	51%	0.509	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-10.8	174.2	-55.4	-167.4	122.6	0	0	113.1	K64 V65 K69	K64-E67 CarbonylContact O-C 3.43Å; K64-E67 PolarHBondContact O-N 2.95Å; V65-E67 VanDerWaalsContact C-N 3.32Å; V65-E67 PolarHBondContact O-N 2.78Å; E67-K69 HydrophobicContact CB-CD 4.25Å; E67-K69 HydrophobicContact CB-CG 4Å; E67-K69 PolarHBondContact O-N 3.41Å; E67-K69 IonicContact OE1-NZ 2.83Å; E67-K69 PolarHBondContact OE1-NZ 2.94Å; E67-K69 VanDerWaalsContact OE2-CD 3.28Å; E67-K69 WeakPolarHBondContact OE2-CD 3.31Å; E67-K69 VanDerWaalsContact OE2-CE 3.25Å; E67-K69 WeakPolarHBondContact OE2-CE 3.19Å; E67-K69 IonicContact OE2-NZ 3.87Å; E67-K69 PolarHBondContact OE2-NZ 3.24Å
68	R	82.4	Confident	83.6	Confident	109 Å²	109	64.2 Å²	64.2	41%	0.411	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	17.6	-173.9	-53.1	179	-168.9	167.8	3.9	114.1	R39 K64 V65 A66 C70 V117 E120	R39-R68 PolarHBondContact NH2-O 2.97Å; K64-R68 PolarHBondContact O-N 3.14Å; V65-R68 PolarHBondContact O-N 3.21Å; A66-R68 VanDerWaalsContact C-N 3.3Å; R68-C70 PolarHBondContact O-N 3.19Å; R68-V117 HydrophobicContact CB-CG2 4.34Å; R68-E120 WeakPolarHBondContact CD-OE2 3.41Å; R68-E120 IonicContact CZ-OE2 3.93Å; R68-E120 IonicContact NE-OE2 2.72Å; R68-E120 IonicContact NH1-OE2 2.78Å; R68-E120 PolarHBondContact NH1-OE2 2.74Å
69	K	84.3	Confident	84.1	Confident	113 Å²	113	60.9 Å²	60.9	49%	0.491	33%	0.33	S	S	.	.			trans	-73.8	115.1	178.7	-68.5	-179.9	-164	149.6	0	109.2	P60 E67	P60-K69 WeakPolarHBondContact CB-O 3.12Å; E67-K69 HydrophobicContact CB-CD 4.25Å; E67-K69 HydrophobicContact CB-CG 4Å; E67-K69 PolarHBondContact O-N 3.41Å; E67-K69 IonicContact OE1-NZ 2.83Å; E67-K69 PolarHBondContact OE1-NZ 2.94Å; E67-K69 VanDerWaalsContact OE2-CD 3.28Å; E67-K69 WeakPolarHBondContact OE2-CD 3.31Å; E67-K69 VanDerWaalsContact OE2-CE 3.25Å; E67-K69 WeakPolarHBondContact OE2-CE 3.19Å; E67-K69 IonicContact OE2-NZ 3.87Å; E67-K69 PolarHBondContact OE2-NZ 3.24Å
70	C	89	Confident	84.7	Confident	29 Å²	29	57 Å²	57	20%	0.196	31%	0.312	C	S	.	.			trans	-71.9	167.2	-179.3	-48.2	0	0	0	0	111.1	R39 H57 H58 R68 C112	R39-C70 PolarHBondContact NH1-SG 3Å; R39-C70 VanDerWaalsContact NH1-SG 3.37Å; H57-C70 HydrophobicContact CB-CB 3.59Å; H58-C70 WeakPolarHBondContact O-CB 3.34Å; R68-C70 PolarHBondContact O-N 3.19Å; C70-C112 HydrophobicContact CB-CB 3.7Å; C70-C112 WeakPolarHBondContact CB-SG 3.48Å; C70-C112 WeakPolarHBondContact SG-CB 3.36Å; C70-C112 CovalentContact SG-SG 2.03Å; C70-C112 PolarHBondContact SG-SG 2.89Å
71	G	87.5	Confident	85.3	Confident	29 Å²	29	56.7 Å²	56.7	30%	0.299	31%	0.31	S	S	.	.			trans	-78.8	-159.9	173.1	0	0	0	0	0	112.6	H57 H58	H57-G71 WeakPolarHBondContact CB-O 3.44Å; H57-G71 PolarHBondContact CD2-O 3.18Å; H57-G71 VanDerWaalsContact CD2-O 3.22Å; H58-G71 PolarHBondContact O-N 3.4Å
72	D	89.4	Confident	86.3	Confident	95 Å²	95	54 Å²	54	51%	0.508	29%	0.292	S	S	.	.	S	Bend	trans	-69.2	167.9	-179.7	-55.8	-72.1	0	0	0	113.6	H57 H58 Y377	H57-D72 CarbonylContact C-O 3.57Å; H57-D72 VanDerWaalsContact CA-O 3.26Å; H57-D72 WeakPolarHBondContact CA-O 3.46Å; H58-D72 PolarHBondContact CD2-O 2.88Å; H58-D72 PolarHBondContact N-O 3.28Å; D72-Y377 HydrophobicContact CB-CD2 4.11Å; D72-Y377 HydrophobicContact CB-CE2 3.47Å; D72-Y377 VanDerWaalsContact CB-CE2 3.47Å
73	V	91.8	Very high	87.6	Confident	4 Å²	4	50 Å²	50	2%	0.024	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-69.6	139.1	179.9	174.5	0	0	0	0	112.1	V56 H57 I79 E373 F374	V56-V73 CarbonylContact O-C 3.59Å; V56-V73 WeakPolarHBondContact O-CA 3.25Å; H57-V73 WeakPolarHBondContact NE2-CG2 3.43Å; V73-I79 HydrophobicContact CG1-CD1 3.91Å; V73-I79 HydrophobicContact CG1-CG1 3.53Å; V73-E373 HydrophobicContact CG2-CB 4.41Å; V73-E373 HydrophobicContact CG2-CG 3.8Å; V73-F374 HydrophobicContact CG1-CB 4.11Å; V73-F374 HydrophobicContact CG1-CD2 4.31Å
74	R	90.4	Very high	88.8	Confident	24 Å²	24	41.8 Å²	41.8	9%	0.091	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-100.6	121.7	175.3	-53.2	-175	82.1	-176.2	5	110.3	V56 G78 I79	V56-R74 PolarHBondContact O-N 3.47Å; R74-G78 VanDerWaalsContact O-CA 3.29Å; R74-G78 WeakPolarHBondContact O-CA 3.49Å; R74-G78 PolarHBondContact O-N 2.89Å; R74-I79 PolarHBondContact O-N 2.68Å
75	E	90.5	Very high	89.9	Confident	36 Å²	36	37.1 Å²	37.1	17%	0.168	20%	0.199	C	C	.	.	I	π-helix	trans	-67.5	-64.5	178.3	-176.6	171.5	161.5	0	0	111.7	I79 Q80 F374 R378	E75-I79 PolarHBondContact O-N 3.1Å; E75-I79 VanDerWaalsContact O-N 3.14Å; E75-Q80 HydrophobicContact CG-CG 4.32Å; E75-Q80 WeakPolarHBondContact O-CG 3.26Å; E75-Q80 PolarHBondContact O-N 3.13Å; E75-F374 HydrophobicContact CB-CE2 3.81Å; E75-F374 HydrophobicContact CG-CE2 3.57Å; E75-F374 HydrophobicContact CG-CZ 3.81Å; E75-R378 IonicContact OE1-NE 3.72Å; E75-R378 WeakPolarHBondContact OE2-CD 3.45Å; E75-R378 IonicContact OE2-CZ 3.43Å; E75-R378 IonicContact OE2-NE 2.69Å; E75-R378 PolarHBondContact OE2-NE 3.3Å; E75-R378 IonicContact OE2-NH2 3.61Å
76	Q	87.6	Confident	90.9	Very high	61 Å²	61	34.6 Å²	34.6	29%	0.285	18%	0.184	S	C	.	.	I	π-helix	trans	-65.1	-66.5	-173.7	-68	166.8	-26.2	0	0	112.2	G78 D410	Q76-G78 PolarHBondContact O-N 2.95Å; Q76-G78 VanDerWaalsContact O-N 3.17Å; Q76-D410 HydrophobicContact CB-CB 4.17Å
77	Y	87.8	Confident	91.8	Very high	18 Å²	18	31.2 Å²	31.2	7%	0.071	15%	0.152	C	C	.	.	I	π-helix	trans	-76	-1.7	-175.1	-64.7	-22.9	0	0	0	115.3	R81 R326 D410	Y77-R81 VanDerWaalsContact CD1-CZ 3.48Å; Y77-R81 PolarHBondContact O-NH1 2.93Å; Y77-R326 WeakPolarHBondContact OH-CD 3.47Å; Y77-D410 WeakPolarHBondContact CD1-OD1 3.48Å; Y77-D410 WeakPolarHBondContact CE1-OD1 3.47Å
78	G	92.7	Very high	92.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.128	C	C	.	.	I	π-helix	trans	-118.4	-89.5	179.8	0	0	0	0	0	111.5	S55 R74 Q76 Q80 R81 V82	S55-G78 WeakPolarHBondContact O-CA 3.29Å; R74-G78 VanDerWaalsContact O-CA 3.29Å; R74-G78 WeakPolarHBondContact O-CA 3.49Å; R74-G78 PolarHBondContact O-N 2.89Å; Q76-G78 PolarHBondContact O-N 2.95Å; Q76-G78 VanDerWaalsContact O-N 3.17Å; G78-Q80 PolarHBondContact O-N 3.48Å; G78-R81 PolarHBondContact O-N 3.35Å; G78-R81 VanDerWaalsContact O-N 3.11Å; G78-V82 WeakPolarHBondContact O-CG2 3.25Å; G78-V82 PolarHBondContact O-N 2.8Å; G78-V82 VanDerWaalsContact O-N 3.12Å
79	I	95.6	Very high	93.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.109	C	C	.	.	I	π-helix	trans	-60.3	-44.2	-170.3	-59.8	-69.5	0	0	0	112.7	V56 V73 R74 E75 R81 V82 E83 Y357 W370 F371 F374	V56-I79 HydrophobicContact CG1-CD1 3.89Å; V73-I79 HydrophobicContact CG1-CD1 3.91Å; V73-I79 HydrophobicContact CG1-CG1 3.53Å; R74-I79 PolarHBondContact O-N 2.68Å; E75-I79 PolarHBondContact O-N 3.1Å; E75-I79 VanDerWaalsContact O-N 3.14Å; I79-R81 VanDerWaalsContact C-N 3.26Å; I79-R81 PolarHBondContact O-N 3.29Å; I79-V82 PolarHBondContact O-N 2.8Å; I79-E83 HydrophobicContact CG2-CG 4.41Å; I79-E83 WeakPolarHBondContact O-CG 3.35Å; I79-E83 PolarHBondContact O-N 2.93Å; I79-Y357 HydrophobicContact CG2-CE2 4.46Å; I79-W370 HydrophobicContact CD1-CB 3.7Å; I79-F371 HydrophobicContact CG2-CD2 4.26Å; I79-F374 HydrophobicContact CB-CD2 4.45Å; I79-F374 HydrophobicContact CB-CG 4.34Å; I79-F374 HydrophobicContact CD1-CB 3.91Å; I79-F374 HydrophobicContact CD1-CG 4.41Å; I79-F374 HydrophobicContact CG1-CB 3.84Å; I79-F374 HydrophobicContact CG1-CD2 4Å; I79-F374 HydrophobicContact CG1-CG 3.86Å; I79-F374 HydrophobicContact CG2-CD1 3.85Å; I79-F374 HydrophobicContact CG2-CE1 4.18Å; I79-F374 HydrophobicContact CG2-CG 4.04Å
80	Q	96.1	Very high	93.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.1	C	C	.	.	I	π-helix	trans	-60.8	-36.1	178.4	-67.2	-178	14	0	0	111.4	E75 G78 E83 A84 F353 Y357 V408 M413	E75-Q80 HydrophobicContact CG-CG 4.32Å; E75-Q80 WeakPolarHBondContact O-CG 3.26Å; E75-Q80 PolarHBondContact O-N 3.13Å; G78-Q80 PolarHBondContact O-N 3.48Å; Q80-E83 PolarHBondContact O-N 3.08Å; Q80-A84 VanDerWaalsContact O-CB 3.23Å; Q80-A84 WeakPolarHBondContact O-CB 3.35Å; Q80-A84 PolarHBondContact O-N 3.07Å; Q80-F353 HydrophobicContact CB-CE1 4.07Å; Q80-F353 HydrophobicContact CB-CZ 3.95Å; Q80-F353 HydrophobicContact CG-CE1 4.36Å; Q80-F353 HydrophobicContact CG-CZ 4.43Å; Q80-F353 VanDerWaalsContact O-CZ 3.27Å; Q80-F353 WeakPolarHBondContact O-CZ 3.42Å; Q80-Y357 HydrophobicContact CB-CE2 4.5Å; Q80-Y357 HydrophobicContact CG-CD2 4.47Å; Q80-Y357 HydrophobicContact CG-CE1 4.16Å; Q80-Y357 HydrophobicContact CG-CE2 3.86Å; Q80-V408 PolarHBondContact NE2-O 3.03Å; Q80-M413 HydrophobicContact CB-CE 3.63Å; Q80-M413 WeakPolarHBondContact O-CE 3.38Å
81	R	96.7	Very high	94.2	Very high	1 Å²	1	22.4 Å²	22.4	0%	0.004	11%	0.111	C	C	.	.	H	α-helix	trans	-70	-40.2	176.6	-63.8	-171.2	173.7	147.2	-2.8	113.3	F54 Y77 G78 I79 E83 A84 M85 D410 M413 V416	F54-R81 HydrophobicContact CB-CB 4.42Å; F54-R81 HydrophobicContact CD1-CB 3.78Å; F54-R81 HydrophobicContact CD2-CB 4.04Å; F54-R81 HydrophobicContact CE1-CB 4.01Å; F54-R81 HydrophobicContact CE2-CB 4.25Å; F54-R81 WeakPolarHBondContact CE2-O 3.41Å; F54-R81 HydrophobicContact CG-CB 3.81Å; F54-R81 HydrophobicContact CZ-CB 4.25Å; Y77-R81 VanDerWaalsContact CD1-CZ 3.48Å; Y77-R81 PolarHBondContact O-NH1 2.93Å; G78-R81 PolarHBondContact O-N 3.35Å; G78-R81 VanDerWaalsContact O-N 3.11Å; I79-R81 VanDerWaalsContact C-N 3.26Å; I79-R81 PolarHBondContact O-N 3.29Å; R81-E83 VanDerWaalsContact C-N 3.32Å; R81-E83 PolarHBondContact O-N 3.4Å; R81-A84 PolarHBondContact O-N 3.43Å; R81-M85 PolarHBondContact O-N 3.31Å; R81-D410 IonicContact CZ-OD2 3.88Å; R81-D410 IonicContact NE-OD2 3.93Å; R81-D410 PolarHBondContact NE-OD2 2.78Å; R81-D410 IonicContact NH2-OD1 3.98Å; R81-D410 PolarHBondContact NH2-OD1 3.03Å; R81-D410 IonicContact NH2-OD2 3.19Å; R81-D410 PolarHBondContact NH2-OD2 2.81Å; R81-M413 HydrophobicContact CG-CE 4.39Å; R81-V416 HydrophobicContact CG-CG2 4.1Å
82	V	97.6	Very high	94.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-57.2	-49	172.9	176.9	0	0	0	0	109.9	A42 F54 V56 G78 I79 M85 F86 I108 N368 W370	A42-V82 HydrophobicContact CB-CG1 4.41Å; F54-V82 HydrophobicContact CB-CG2 4.49Å; F54-V82 HydrophobicContact CD2-CG2 3.94Å; V56-V82 HydrophobicContact CG2-CG2 4.03Å; G78-V82 WeakPolarHBondContact O-CG2 3.25Å; G78-V82 PolarHBondContact O-N 2.8Å; G78-V82 VanDerWaalsContact O-N 3.12Å; I79-V82 PolarHBondContact O-N 2.8Å; V82-M85 PolarHBondContact O-N 3.06Å; V82-F86 HydrophobicContact CG1-CD2 4.09Å; V82-F86 HydrophobicContact CG1-CE2 3.75Å; V82-F86 VanDerWaalsContact O-CD2 3.29Å; V82-F86 WeakPolarHBondContact O-CD2 3.39Å; V82-F86 PolarHBondContact O-N 2.83Å; V82-I108 HydrophobicContact CG1-CD1 4.11Å; V82-I108 HydrophobicContact CG2-CG2 4.18Å; V82-N368 HydrophobicContact CG1-CB 4.41Å; V82-W370 HydrophobicContact CG2-CE3 4.47Å; V82-W370 HydrophobicContact CG2-CZ3 4.4Å
83	E	97.4	Very high	95.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-67.5	-37.8	179.2	-69.4	-51.2	143.8	0	0	113.2	I79 Q80 R81 F86 H87 F353 Y356 Y357 L360 N365 N368	I79-E83 HydrophobicContact CG2-CG 4.41Å; I79-E83 WeakPolarHBondContact O-CG 3.35Å; I79-E83 PolarHBondContact O-N 2.93Å; Q80-E83 PolarHBondContact O-N 3.08Å; R81-E83 VanDerWaalsContact C-N 3.32Å; R81-E83 PolarHBondContact O-N 3.4Å; E83-F86 PolarHBondContact O-N 3.21Å; E83-H87 WeakPolarHBondContact O-CB 3.37Å; E83-H87 PolarHBondContact O-N 3.24Å; E83-F353 HydrophobicContact CB-CE2 4.05Å; E83-F353 HydrophobicContact CB-CZ 4.32Å; E83-Y356 HydrophobicContact CB-CE1 4.14Å; E83-Y356 PolarHBondContact OE2-OH 2.68Å; E83-Y356 VanDerWaalsContact OE2-OH 3.05Å; E83-Y357 HydrophobicContact CB-CD2 4.09Å; E83-Y357 HydrophobicContact CB-CE2 4.36Å; E83-Y357 HydrophobicContact CG-CD2 4.22Å; E83-Y357 HydrophobicContact CG-CE2 4.14Å; E83-L360 HydrophobicContact CB-CD1 4.37Å; E83-L360 HydrophobicContact CG-CD1 3.79Å; E83-N365 VanDerWaalsContact CD-ND2 3.29Å; E83-N365 PolarHBondContact OE1-ND2 2.8Å; E83-N365 PolarHBondContact OE2-ND2 3.11Å; E83-N368 WeakPolarHBondContact OE1-CB 3.48Å; E83-N368 PolarHBondContact OE1-ND2 3.13Å
84	A	97.4	Very high	95.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-68.8	-36.2	177.1	0	0	0	0	0	112.3	Q80 R81 H87 T88 F353 M413	Q80-A84 VanDerWaalsContact O-CB 3.23Å; Q80-A84 WeakPolarHBondContact O-CB 3.35Å; Q80-A84 PolarHBondContact O-N 3.07Å; R81-A84 PolarHBondContact O-N 3.43Å; A84-H87 PolarHBondContact O-N 2.76Å; A84-T88 VanDerWaalsContact O-CB 3.27Å; A84-T88 WeakPolarHBondContact O-CB 3.38Å; A84-T88 PolarHBondContact O-N 3.29Å; A84-T88 PolarHBondContact O-OG1 2.97Å; A84-F353 HydrophobicContact CB-CD2 3.8Å; A84-F353 HydrophobicContact CB-CE2 3.63Å; A84-F353 HydrophobicContact CB-CG 4.48Å; A84-F353 HydrophobicContact CB-CZ 4.17Å; A84-M413 HydrophobicContact CB-CE 3.78Å; A84-M413 HydrophobicContact CB-CG 4.45Å; A84-M413 HydrophobicContact CB-SD 3.21Å; A84-M413 WeakPolarHBondContact CB-SD 3.17Å
85	M	97.9	Very high	95.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.4	-49	173.7	-175.1	178.2	-170.6	0	0	111.1	I50 A52 F54 R81 V82 H87 T88 L89 C106 I108 I163 I420	I50-M85 HydrophobicContact CB-CE 4.25Å; I50-M85 HydrophobicContact CG2-CE 3.88Å; A52-M85 HydrophobicContact CB-CE 3.81Å; A52-M85 HydrophobicContact CB-SD 3.38Å; A52-M85 WeakPolarHBondContact CB-SD 3.45Å; F54-M85 HydrophobicContact CE2-CB 3.76Å; F54-M85 HydrophobicContact CE2-CG 4.38Å; F54-M85 HydrophobicContact CE2-SD 3.78Å; F54-M85 HydrophobicContact CZ-CB 3.96Å; F54-M85 HydrophobicContact CZ-CG 4.45Å; F54-M85 HydrophobicContact CZ-SD 3.95Å; R81-M85 PolarHBondContact O-N 3.31Å; V82-M85 PolarHBondContact O-N 3.06Å; M85-H87 PolarHBondContact O-N 2.87Å; M85-T88 PolarHBondContact O-N 3.44Å; M85-L89 HydrophobicContact CE-CD1 4.12Å; M85-L89 HydrophobicContact CG-CD1 4.06Å; M85-L89 WeakPolarHBondContact O-CG 3.39Å; M85-L89 PolarHBondContact O-N 3.2Å; M85-C106 HydrophobicContact CE-CB 3.65Å; M85-C106 HydrophobicContact SD-CB 4.35Å; M85-I108 HydrophobicContact CB-CD1 4.21Å; M85-I108 HydrophobicContact CG-CD1 4.26Å; M85-I108 HydrophobicContact SD-CD1 3.72Å; M85-I108 HydrophobicContact SD-CG1 3.75Å; M85-I163 HydrophobicContact CE-CD1 4.47Å; M85-I420 HydrophobicContact CB-CD1 3.93Å; M85-I420 HydrophobicContact CG-CD1 3.79Å; M85-I420 HydrophobicContact CG-CG1 4.38Å
86	F	97.6	Very high	95.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.2	-49.1	175	-73.2	-51.6	0	0	0	112	A42 M44 V82 E83 T88 L89 D90 I108 R367 N368	A42-F86 HydrophobicContact CB-CE2 4.08Å; A42-F86 HydrophobicContact CB-CZ 3.69Å; M44-F86 HydrophobicContact CB-CD1 4.34Å; M44-F86 HydrophobicContact CB-CE1 4.03Å; M44-F86 HydrophobicContact SD-CD1 4.43Å; V82-F86 HydrophobicContact CG1-CD2 4.09Å; V82-F86 HydrophobicContact CG1-CE2 3.75Å; V82-F86 VanDerWaalsContact O-CD2 3.29Å; V82-F86 WeakPolarHBondContact O-CD2 3.39Å; V82-F86 PolarHBondContact O-N 2.83Å; E83-F86 PolarHBondContact O-N 3.21Å; F86-T88 VanDerWaalsContact C-N 3.31Å; F86-T88 PolarHBondContact O-N 3.34Å; F86-L89 PolarHBondContact O-N 3.42Å; F86-D90 WeakPolarHBondContact O-CB 3.39Å; F86-D90 PolarHBondContact O-N 2.92Å; F86-I108 HydrophobicContact CD1-CD1 4.35Å; F86-I108 HydrophobicContact CD2-CD1 4.44Å; F86-I108 HydrophobicContact CE1-CD1 4.08Å; F86-I108 HydrophobicContact CE2-CD1 4.19Å; F86-I108 HydrophobicContact CZ-CD1 4.01Å; F86-R367 VanDerWaalsContact CB-CZ 3.45Å; F86-R367 HydrophobicContact CD2-CG 4.16Å; F86-R367 HydrophobicContact CE2-CG 3.98Å; F86-R367 HydrophobicContact CZ-CB 4.39Å; F86-R367 HydrophobicContact CZ-CG 4.28Å; F86-N368 HydrophobicContact CE2-CB 4.3Å
87	H	96.9	Very high	95.8	Very high	27 Å²	27	36 Å²	36	13%	0.125	18%	0.181	C	C	.	.	H	α-helix	trans	-62.4	-35.2	179.6	179.2	60.1	0	0	0	113.5	E83 A84 M85 R91 Y356	E83-H87 WeakPolarHBondContact O-CB 3.37Å; E83-H87 PolarHBondContact O-N 3.24Å; A84-H87 PolarHBondContact O-N 2.76Å; M85-H87 PolarHBondContact O-N 2.87Å; H87-R91 WeakPolarHBondContact NE2-CD 3.34Å; H87-R91 WeakPolarHBondContact O-CG 3.41Å; H87-R91 PolarHBondContact O-N 3.43Å; H87-R91 VanDerWaalsContact O-N 3.15Å; H87-Y356 HydrophobicContact CB-CD1 3.66Å; H87-Y356 HydrophobicContact CB-CD2 4.44Å; H87-Y356 HydrophobicContact CB-CE1 3.77Å; H87-Y356 HydrophobicContact CB-CG 4.02Å; H87-Y356 AromaticContact CG-CD1 3.81Å; H87-Y356 AromaticContact CG-CG 3.69Å; H87-Y356 AromaticContact ND1-CD2 3.59Å; H87-Y356 AromaticContact ND1-CG 3.53Å
88	T	97.7	Very high	96.1	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.018	18%	0.18	C	C	.	.	H	α-helix	trans	-70.1	-42	177.4	-57.1	0	0	0	0	110.8	A84 M85 F86 R91 I92 I417 I420 Y421	A84-T88 VanDerWaalsContact O-CB 3.27Å; A84-T88 WeakPolarHBondContact O-CB 3.38Å; A84-T88 PolarHBondContact O-N 3.29Å; A84-T88 PolarHBondContact O-OG1 2.97Å; M85-T88 PolarHBondContact O-N 3.44Å; F86-T88 VanDerWaalsContact C-N 3.31Å; F86-T88 PolarHBondContact O-N 3.34Å; T88-R91 WeakPolarHBondContact O-CB 3.4Å; T88-R91 PolarHBondContact O-N 2.84Å; T88-I92 HydrophobicContact CG2-CD1 3.91Å; T88-I92 WeakPolarHBondContact O-CG1 3.44Å; T88-I92 PolarHBondContact O-N 3.38Å; T88-I417 HydrophobicContact CG2-CG2 3.97Å; T88-I420 HydrophobicContact CG2-CB 3.99Å; T88-I420 HydrophobicContact CG2-CD1 4.19Å; T88-I420 HydrophobicContact CG2-CG2 3.7Å; T88-Y421 HydrophobicContact CG2-CD2 4.21Å; T88-Y421 HydrophobicContact CG2-CE2 3.79Å
89	L	97.8	Very high	96.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69.7	-37.6	175.3	-64.6	174.4	0	0	0	112.2	M44 I50 M85 F86 R91 I92 N93 L104 C106 I420	M44-L89 HydrophobicContact CE-CB 3.53Å; M44-L89 HydrophobicContact CE-CD1 3.98Å; M44-L89 HydrophobicContact CE-CG 4.42Å; I50-L89 HydrophobicContact CD1-CD2 4.41Å; M85-L89 HydrophobicContact CE-CD1 4.12Å; M85-L89 HydrophobicContact CG-CD1 4.06Å; M85-L89 WeakPolarHBondContact O-CG 3.39Å; M85-L89 PolarHBondContact O-N 3.2Å; F86-L89 PolarHBondContact O-N 3.42Å; L89-R91 PolarHBondContact O-N 3.28Å; L89-I92 HydrophobicContact CD2-CD1 4.43Å; L89-I92 PolarHBondContact O-N 3.19Å; L89-N93 VanDerWaalsContact O-CB 3.25Å; L89-N93 WeakPolarHBondContact O-CB 3.3Å; L89-N93 PolarHBondContact O-N 3.37Å; L89-N93 PolarHBondContact O-ND2 3.49Å; L89-L104 HydrophobicContact CD2-CB 3.82Å; L89-L104 HydrophobicContact CD2-CD1 3.94Å; L89-C106 HydrophobicContact CD1-CB 3.61Å; L89-I420 HydrophobicContact CD2-CG2 3.7Å; L89-I420 HydrophobicContact CG-CG2 4.24Å
90	D	96.8	Very high	96	Very high	57 Å²	57	37.6 Å²	37.6	31%	0.305	19%	0.193	S	C	.	.	H	α-helix	trans	-55	-37	170.4	-65.9	-34.9	0	0	0	111.3	F86 A94 R367	F86-D90 WeakPolarHBondContact O-CB 3.39Å; F86-D90 PolarHBondContact O-N 2.92Å; D90-A94 WeakPolarHBondContact O-CB 3.3Å; D90-R367 VanDerWaalsContact CG-NH1 3.32Å; D90-R367 IonicContact OD1-CZ 2.73Å; D90-R367 IonicContact OD1-NH1 3.62Å; D90-R367 PolarHBondContact OD1-NH1 3.32Å; D90-R367 IonicContact OD1-NH2 3.56Å; D90-R367 IonicContact OD2-CZ 3.31Å; D90-R367 VanDerWaalsContact OD2-CZ 3.31Å; D90-R367 IonicContact OD2-NH1 2.76Å; D90-R367 PolarHBondContact OD2-NH1 3.4Å; D90-R367 IonicContact OD2-NH2 2.99Å; D90-R367 PolarHBondContact OD2-NH2 3.32Å
91	R	96.3	Very high	95.7	Very high	116 Å²	116	43.7 Å²	43.7	44%	0.438	23%	0.226	S	C	.	.	H	α-helix	trans	-76.6	-44.1	177.7	-77.6	179.2	58.2	176.5	-4	113.1	H87 T88 L89 N93 A94 D95 S352	H87-R91 WeakPolarHBondContact NE2-CD 3.34Å; H87-R91 WeakPolarHBondContact O-CG 3.41Å; H87-R91 PolarHBondContact O-N 3.43Å; H87-R91 VanDerWaalsContact O-N 3.15Å; T88-R91 WeakPolarHBondContact O-CB 3.4Å; T88-R91 PolarHBondContact O-N 2.84Å; L89-R91 PolarHBondContact O-N 3.28Å; R91-N93 VanDerWaalsContact C-N 3.34Å; R91-A94 PolarHBondContact O-N 3.03Å; R91-A94 VanDerWaalsContact O-N 3.11Å; R91-D95 PolarHBondContact O-N 2.98Å; R91-D95 VanDerWaalsContact O-N 3.16Å; R91-S352 PolarHBondContact NH1-OG 3.21Å
92	I	97.3	Very high	95.6	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-63	-43.4	177.8	-67.9	162.4	0	0	0	110	T88 L89 A94 D95 L98 L104 I420 Y421 A424	T88-I92 HydrophobicContact CG2-CD1 3.91Å; T88-I92 WeakPolarHBondContact O-CG1 3.44Å; T88-I92 PolarHBondContact O-N 3.38Å; L89-I92 HydrophobicContact CD2-CD1 4.43Å; L89-I92 PolarHBondContact O-N 3.19Å; I92-A94 PolarHBondContact O-N 3.27Å; I92-A94 VanDerWaalsContact O-N 3.11Å; I92-D95 WeakPolarHBondContact O-CB 3.21Å; I92-D95 PolarHBondContact O-N 3.15Å; I92-L98 HydrophobicContact CG1-CD2 4.18Å; I92-L98 HydrophobicContact CG2-CD2 3.99Å; I92-L98 HydrophobicContact CG2-CG 4.27Å; I92-L104 HydrophobicContact CG2-CD1 3.89Å; I92-I420 HydrophobicContact CD1-CG2 3.83Å; I92-Y421 HydrophobicContact CD1-CD1 4.05Å; I92-Y421 HydrophobicContact CD1-CE1 3.96Å; I92-Y421 HydrophobicContact CG1-CD1 4.18Å; I92-Y421 HydrophobicContact CG1-CE1 3.67Å; I92-A424 HydrophobicContact CD1-CB 3.96Å; I92-A424 HydrophobicContact CG2-CB 4.25Å
93	N	96.9	Very high	95.5	Very high	61 Å²	61	46.1 Å²	46.1	33%	0.326	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-8.3	176	-66	-21.9	0	0	0	114	L89 R91 L104	L89-N93 VanDerWaalsContact O-CB 3.25Å; L89-N93 WeakPolarHBondContact O-CB 3.3Å; L89-N93 PolarHBondContact O-N 3.37Å; L89-N93 PolarHBondContact O-ND2 3.49Å; R91-N93 VanDerWaalsContact C-N 3.34Å; N93-L104 PolarHBondContact ND2-O 3.39Å; N93-L104 PolarHBondContact OD1-N 3.41Å
94	A	96.5	Very high	95.4	Very high	76 Å²	76	46.1 Å²	46.1	63%	0.628	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-6.1	174.3	0	0	0	0	0	113.2	D90 R91 I92	D90-A94 WeakPolarHBondContact O-CB 3.3Å; R91-A94 PolarHBondContact O-N 3.03Å; R91-A94 VanDerWaalsContact O-N 3.11Å; I92-A94 PolarHBondContact O-N 3.27Å; I92-A94 VanDerWaalsContact O-N 3.11Å
95	D	94.8	Very high	95.3	Very high	70 Å²	70	46.1 Å²	46.1	37%	0.374	24%	0.242	S	C	.	.			trans	-77.1	148.4	172.9	-157.7	-31.4	0	0	0	110	R91 I92 H97 L98	R91-D95 PolarHBondContact O-N 2.98Å; R91-D95 VanDerWaalsContact O-N 3.16Å; I92-D95 WeakPolarHBondContact O-CB 3.21Å; I92-D95 PolarHBondContact O-N 3.15Å; D95-H97 WeakPolarHBondContact OD1-CB 3.43Å; D95-H97 IonicContact OD1-CD2 2.68Å; D95-H97 IonicContact OD1-CG 2.84Å; D95-H97 PolarHBondContact OD1-N 2.91Å; D95-L98 HydrophobicContact CB-CB 4.34Å
96	Q	91.9	Very high	95.2	Very high	165 Å²	165	46.1 Å²	46.1	77%	0.771	24%	0.242	S	C	*	.	S	Bend	trans	-107.5	-8.8	176.3	-62.2	-174.1	3.2	0	0	112.4
97	H	92.3	Very high	95.1	Very high	157 Å²	157	46.3 Å²	46.3	73%	0.727	24%	0.243	S	C	*	.	S	Bend	trans	-97.2	-36.3	179.1	-59.6	-64.6	0	0	0	112.2	D95 H428	D95-H97 WeakPolarHBondContact OD1-CB 3.43Å; D95-H97 IonicContact OD1-CD2 2.68Å; D95-H97 IonicContact OD1-CG 2.84Å; D95-H97 PolarHBondContact OD1-N 2.91Å; H97-H428 PolarHBondContact O-NE2 2.86Å
98	L	93.8	Very high	95.1	Very high	7 Å²	7	45 Å²	45	4%	0.037	24%	0.237	C	C	.	.	S	Bend	trans	-97.9	124	177.8	-175.9	60.5	0	0	0	110	I92 D95 Y421 A424 H428	I92-L98 HydrophobicContact CG1-CD2 4.18Å; I92-L98 HydrophobicContact CG2-CD2 3.99Å; I92-L98 HydrophobicContact CG2-CG 4.27Å; D95-L98 HydrophobicContact CB-CB 4.34Å; L98-Y421 HydrophobicContact CD2-CD1 4.1Å; L98-Y421 HydrophobicContact CD2-CE1 4.26Å; L98-A424 HydrophobicContact CD2-CB 4.03Å; L98-A424 HydrophobicContact CG-CB 4.47Å; L98-H428 HydrophobicContact CD1-CB 3.66Å
99	L	93.9	Very high	95	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.037	24%	0.239	C	C	.	.	S	Bend	trans	50	50.6	178.4	-66.6	172.2	0	0	0	115.9	N101 I102 L104 A424 L427 H428	L99-N101 PolarHBondContact O-N 2.72Å; L99-I102 HydrophobicContact CB-CB 4.31Å; L99-I102 HydrophobicContact CD2-CD1 4.25Å; L99-I102 PolarHBondContact O-N 3Å; L99-L104 HydrophobicContact CD1-CD1 3.69Å; L99-L104 HydrophobicContact CD1-CD2 3.78Å; L99-L104 HydrophobicContact CD1-CG 3.79Å; L99-A424 HydrophobicContact CD1-CB 4.14Å; L99-L427 HydrophobicContact CD1-CB 4.35Å; L99-L427 HydrophobicContact CD2-CB 4.11Å; L99-H428 HydrophobicContact CD2-CB 3.87Å; L99-H428 HydrophobicContact CG-CB 4.03Å; L99-H428 PolarHBondContact N-CE1 3.11Å; L99-H428 PolarHBondContact N-ND1 3.03Å
100	P	91.6	Very high	94.9	Very high	38 Å²	38	46.2 Å²	46.2	25%	0.247	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	125.8	-176.4	24.9	-34.9	0	0	0	112.9	I102 G440	P100-I102 VanDerWaalsContact C-N 3.28Å; P100-I102 PolarHBondContact O-N 3.02Å; P100-G440 PolarHBondContact O-N 2.72Å
101	N	91.4	Very high	94.7	Very high	129 Å²	129	43.5 Å²	43.5	69%	0.69	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	25	-177.3	-162.8	71.7	0	0	0	114.5	L99 G440	L99-N101 PolarHBondContact O-N 2.72Å; N101-G440 VanDerWaalsContact O-CA 3.27Å; N101-G440 WeakPolarHBondContact O-CA 3.38Å
102	I	93.9	Very high	94.5	Very high	11 Å²	11	38 Å²	38	6%	0.056	21%	0.207	C	C	.	.			trans	-122.7	119.7	168.6	-59.6	175.4	0	0	0	108.2	D47 V48 L99 P100	D47-I102 HydrophobicContact CB-CG2 4.09Å; V48-I102 HydrophobicContact CG2-CG2 4.12Å; L99-I102 HydrophobicContact CB-CB 4.31Å; L99-I102 HydrophobicContact CD2-CD1 4.25Å; L99-I102 PolarHBondContact O-N 3Å; P100-I102 VanDerWaalsContact C-N 3.28Å; P100-I102 PolarHBondContact O-N 3.02Å
103	S	94.8	Very high	94	Very high	40 Å²	40	40.4 Å²	40.4	28%	0.28	22%	0.216	S	C	.	.			trans	-87	129.9	174.8	61	0	0	0	0	112.1	G46 D47 V48	G46-S103 VanDerWaalsContact CA-OG 3.31Å; G46-S103 WeakPolarHBondContact CA-OG 3.43Å; D47-S103 WeakPolarHBondContact CA-O 3.45Å; D47-S103 WeakPolarHBondContact CB-O 3.4Å; D47-S103 VanDerWaalsContact CG-OG 3.3Å; D47-S103 PolarHBondContact N-O 3.49Å; D47-S103 PolarHBondContact N-OG 3.31Å; D47-S103 WeakPolarHBondContact OD2-CB 3.41Å; D47-S103 PolarHBondContact OD2-N 2.97Å; D47-S103 PolarHBondContact OD2-OG 2.89Å; V48-S103 PolarHBondContact N-O 3.33Å; V48-S103 VanDerWaalsContact N-O 3.13Å
104	L	96.6	Very high	93.6	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	115	168.6	-63.3	-173.7	0	0	0	110.1	M44 V48 I50 L89 I92 N93 L99 A424 L427	M44-L104 WeakPolarHBondContact CE-O 3.41Å; V48-L104 HydrophobicContact CB-CD2 3.95Å; V48-L104 HydrophobicContact CG1-CD2 4.36Å; I50-L104 HydrophobicContact CD1-CD1 4.02Å; I50-L104 HydrophobicContact CD1-CD2 4.36Å; L89-L104 HydrophobicContact CD2-CB 3.82Å; L89-L104 HydrophobicContact CD2-CD1 3.94Å; I92-L104 HydrophobicContact CG2-CD1 3.89Å; N93-L104 PolarHBondContact ND2-O 3.39Å; N93-L104 PolarHBondContact OD1-N 3.41Å; L99-L104 HydrophobicContact CD1-CD1 3.69Å; L99-L104 HydrophobicContact CD1-CD2 3.78Å; L99-L104 HydrophobicContact CD1-CG 3.79Å; L104-A424 HydrophobicContact CD1-CB 3.86Å; L104-L427 HydrophobicContact CD2-CD1 3.9Å
105	G	95.5	Very high	93.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	174.1	166.5	0	0	0	0	0	111.7	M44 V48 I50	M44-G105 CarbonylContact O-C 3.49Å; M44-G105 WeakPolarHBondContact O-CA 3.21Å; V48-G105 PolarHBondContact O-N 3.23Å; I50-G105 PolarHBondContact N-O 2.93Å
106	C	95.7	Very high	93	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	154.5	178.4	65	0	0	0	0	114	R43 M44 I50 M85 L89 I108	R43-C106 WeakPolarHBondContact CA-O 3.38Å; M44-C106 PolarHBondContact N-O 3.16Å; M44-C106 PolarHBondContact O-N 3.24Å; I50-C106 CarbonylContact O-C 3.46Å; I50-C106 WeakPolarHBondContact O-CA 3.02Å; I50-C106 WeakPolarHBondContact O-CB 3.43Å; M85-C106 HydrophobicContact CE-CB 3.65Å; M85-C106 HydrophobicContact SD-CB 4.35Å; L89-C106 HydrophobicContact CD1-CB 3.61Å; C106-I108 HydrophobicContact CB-CG1 4.42Å
107	E	94.6	Very high	93	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.019	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	107.5	167.5	-163.2	171.8	107.7	0	0	110.3	V41 R43 I49 I50 G51 A52 R109 F125	V41-E107 HydrophobicContact CG2-CG 3.32Å; R43-E107 IonicContact CZ-OE2 3.41Å; R43-E107 IonicContact NH1-OE2 3.28Å; R43-E107 PolarHBondContact NH1-OE2 3.02Å; I49-E107 HydrophobicContact CG2-CB 4.2Å; I50-E107 PolarHBondContact O-N 3.2Å; G51-E107 CarbonylContact C-O 3.55Å; G51-E107 WeakPolarHBondContact CA-O 3.41Å; A52-E107 PolarHBondContact N-O 3.43Å; E107-R109 IonicContact OE1-CZ 3.95Å; E107-R109 VanDerWaalsContact OE1-CZ 3.23Å; E107-R109 IonicContact OE1-NE 3.66Å; E107-R109 PolarHBondContact OE1-NE 3.23Å; E107-R109 IonicContact OE1-NH2 2.74Å; E107-R109 PolarHBondContact OE1-NH2 3.4Å; E107-F125 HydrophobicContact CB-CE1 4.24Å; E107-F125 HydrophobicContact CG-CE1 4.28Å; E107-F125 WeakPolarHBondContact O-CE1 2.99Å; E107-F125 WeakPolarHBondContact O-CZ 3.41Å
108	I	96.6	Very high	93.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	121.5	-172.8	-47.7	178.6	0	0	0	108.9	A42 A52 F54 V82 M85 F86 C106	A42-I108 HydrophobicContact CB-CB 4.13Å; A42-I108 PolarHBondContact N-O 3.33Å; A42-I108 PolarHBondContact O-N 2.73Å; A52-I108 HydrophobicContact CB-CG1 4.37Å; A52-I108 HydrophobicContact CB-CG2 4.29Å; F54-I108 HydrophobicContact CD2-CG2 3.55Å; F54-I108 HydrophobicContact CE2-CD1 4.46Å; F54-I108 HydrophobicContact CE2-CG2 4Å; V82-I108 HydrophobicContact CG1-CD1 4.11Å; V82-I108 HydrophobicContact CG2-CG2 4.18Å; M85-I108 HydrophobicContact CB-CD1 4.21Å; M85-I108 HydrophobicContact CG-CD1 4.26Å; M85-I108 HydrophobicContact SD-CD1 3.72Å; M85-I108 HydrophobicContact SD-CG1 3.75Å; F86-I108 HydrophobicContact CD1-CD1 4.35Å; F86-I108 HydrophobicContact CD2-CD1 4.44Å; F86-I108 HydrophobicContact CE1-CD1 4.08Å; F86-I108 HydrophobicContact CE2-CD1 4.19Å; F86-I108 HydrophobicContact CZ-CD1 4.01Å; C106-I108 HydrophobicContact CB-CG1 4.42Å
109	R	95.6	Very high	93	Very high	14 Å²	14	24.1 Å²	24.1	5%	0.053	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	153.8	-178.4	-65.7	-177.9	177.4	-120.5	12.6	110.8	V41 A52 L53 F54 E107 Q121 F125 D128	V41-R109 HydrophobicContact CB-CG 4.42Å; V41-R109 HydrophobicContact CG2-CG 3.82Å; A52-R109 PolarHBondContact O-N 3.48Å; L53-R109 WeakPolarHBondContact CA-O 3.23Å; L53-R109 HydrophobicContact CD2-CB 4.2Å; F54-R109 PolarHBondContact N-O 2.97Å; E107-R109 IonicContact OE1-CZ 3.95Å; E107-R109 VanDerWaalsContact OE1-CZ 3.23Å; E107-R109 IonicContact OE1-NE 3.66Å; E107-R109 PolarHBondContact OE1-NE 3.23Å; E107-R109 IonicContact OE1-NH2 2.74Å; E107-R109 PolarHBondContact OE1-NH2 3.4Å; R109-Q121 HydrophobicContact CB-CB 3.89Å; R109-Q121 HydrophobicContact CB-CG 3.98Å; R109-Q121 VanDerWaalsContact NH1-OE1 3.13Å; R109-F125 HydrophobicContact CB-CE1 4.28Å; R109-F125 HydrophobicContact CB-CZ 4.04Å; R109-F125 HydrophobicContact CG-CE1 3.68Å; R109-F125 HydrophobicContact CG-CZ 3.96Å; R109-D128 IonicContact NH2-OD2 3.81Å; R109-D128 PolarHBondContact NH2-OD2 3.42Å; R109-D128 VanDerWaalsContact NH2-OD2 3.07Å
110	D	95.7	Very high	92.9	Very high	13 Å²	13	25.5 Å²	25.5	7%	0.07	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	129.4	-177.1	-174.1	16.8	0	0	0	112.3	V56 H57 C112 Q121 W370	V56-D110 HydrophobicContact CB-CB 4.2Å; V56-D110 HydrophobicContact CG2-CB 4.07Å; V56-D110 PolarHBondContact N-OD1 3.34Å; H57-D110 IonicContact CE1-OD2 3.81Å; H57-D110 IonicContact CG-OD2 3.66Å; H57-D110 IonicContact ND1-OD2 2.76Å; H57-D110 PolarHBondContact ND1-OD2 3.48Å; D110-C112 PolarHBondContact OD1-N 2.89Å; D110-C112 PolarHBondContact OD2-SG 2.72Å; D110-Q121 WeakPolarHBondContact O-CG 3.28Å; D110-W370 HydrophobicContact CB-CZ2 4.08Å
111	S	93.9	Very high	93	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.131	C	C	.	.			trans	-91.3	-17.2	176.2	57	0	0	0	0	114.1	F54 S55 W113 H114	F54-S111 VanDerWaalsContact C-OG 3.22Å; F54-S111 PolarHBondContact O-N 3.31Å; F54-S111 PolarHBondContact O-OG 3.05Å; S55-S111 WeakPolarHBondContact CA-OG 3.23Å; S55-S111 PolarHBondContact N-OG 3.16Å; S55-S111 PolarHBondContact OG-OG 3.16Å; S111-W113 PolarHBondContact O-N 3.46Å; S111-H114 PolarHBondContact O-N 2.91Å
112	C	91.4	Very high	93.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.1	28.6	-172.5	-54.8	0	0	0	0	115.2	Q59 C70 D110 H114 V117	Q59-C112 WeakPolarHBondContact CA-O 3.21Å; C70-C112 HydrophobicContact CB-CB 3.7Å; C70-C112 WeakPolarHBondContact CB-SG 3.48Å; C70-C112 WeakPolarHBondContact SG-CB 3.36Å; C70-C112 CovalentContact SG-SG 2.03Å; C70-C112 PolarHBondContact SG-SG 2.89Å; D110-C112 PolarHBondContact OD1-N 2.89Å; D110-C112 PolarHBondContact OD2-SG 2.72Å; C112-H114 PolarHBondContact O-N 3.45Å; C112-V117 HydrophobicContact CB-CB 4.45Å; C112-V117 HydrophobicContact CB-CG1 4.21Å
113	W	86.4	Confident	93	Very high	55 Å²	55	21.5 Å²	21.5	21%	0.208	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	20.9	-172.8	-153.6	-93.5	0	0	0	114.7	Q59 S111 G166	Q59-W113 HydrophobicContact CB-CB 4.45Å; S111-W113 PolarHBondContact O-N 3.46Å; W113-G166 WeakPolarHBondContact CH2-O 3.31Å
114	H	88.5	Confident	92.8	Very high	36 Å²	36	22.1 Å²	22.1	17%	0.167	12%	0.116	C	C	.	.			trans	-132.4	128.3	-169.9	-170.8	-81.2	0	0	0	113.1	P60 S111 C112 S116 V117 A118	P60-H114 HydrophobicContact CG-CB 4.38Å; S111-H114 PolarHBondContact O-N 2.91Å; C112-H114 PolarHBondContact O-N 3.45Å; H114-S116 PolarHBondContact CE1-OG 3.28Å; H114-S116 PolarHBondContact ND1-N 3.4Å; H114-S116 PolarHBondContact O-N 2.96Å; H114-V117 HydrophobicContact CB-CG2 4.29Å; H114-V117 PolarHBondContact O-N 2.68Å; H114-A118 PolarHBondContact O-N 3.17Å
115	S	89.5	Confident	92.4	Very high	47 Å²	47	22.1 Å²	22.1	33%	0.329	12%	0.115	S	C	.	.	H	α-helix	trans	-49.3	-52.7	-173.8	57.2	0	0	0	0	113.7	V117 A118 L119	S115-V117 PolarHBondContact O-N 2.7Å; S115-A118 PolarHBondContact O-N 2.86Å; S115-L119 VanDerWaalsContact O-CB 3.28Å; S115-L119 WeakPolarHBondContact O-CB 3.41Å; S115-L119 PolarHBondContact O-N 3.1Å
116	S	89.8	Confident	92.1	Very high	53 Å²	53	22.5 Å²	22.5	37%	0.371	12%	0.117	S	C	.	.	H	α-helix	trans	-64.6	-24.8	-178.1	-41.8	0	0	0	0	114.3	H114 E120	H114-S116 PolarHBondContact CE1-OG 3.28Å; H114-S116 PolarHBondContact ND1-N 3.4Å; H114-S116 PolarHBondContact O-N 2.96Å; S116-E120 WeakPolarHBondContact O-CB 3.31Å; S116-E120 PolarHBondContact O-N 3.21Å
117	V	91.4	Very high	91.5	Very high	1 Å²	1	29 Å²	29	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-84.9	-45.9	179.8	-177.5	0	0	0	0	109.8	R68 C112 H114 S115 L119 E120 Q121	R68-V117 HydrophobicContact CB-CG2 4.34Å; C112-V117 HydrophobicContact CB-CB 4.45Å; C112-V117 HydrophobicContact CB-CG1 4.21Å; H114-V117 HydrophobicContact CB-CG2 4.29Å; H114-V117 PolarHBondContact O-N 2.68Å; S115-V117 PolarHBondContact O-N 2.7Å; V117-L119 VanDerWaalsContact C-N 3.29Å; V117-L119 PolarHBondContact O-N 3.32Å; V117-E120 WeakPolarHBondContact O-CB 3.31Å; V117-E120 PolarHBondContact O-N 3.2Å; V117-Q121 PolarHBondContact O-N 3.18Å
118	A	94.4	Very high	90.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.4	-39.7	173.2	0	0	0	0	0	112.2	H114 S115 Q121 S122 V170 V174	H114-A118 PolarHBondContact O-N 3.17Å; S115-A118 PolarHBondContact O-N 2.86Å; A118-Q121 PolarHBondContact O-N 3Å; A118-S122 WeakPolarHBondContact O-CB 3.34Å; A118-S122 PolarHBondContact O-N 2.94Å; A118-S122 PolarHBondContact O-OG 3.47Å; A118-V170 HydrophobicContact CB-CG1 3.36Å; A118-V174 HydrophobicContact CB-CG2 3.91Å
119	L	92.8	Very high	89.1	Confident	58 Å²	58	29.9 Å²	29.9	30%	0.304	15%	0.147	S	C	.	.	H	α-helix	trans	-67	-39.8	176	-169	68.2	0	0	0	112	S115 V117 Q121 S122 I123 L177	S115-L119 VanDerWaalsContact O-CB 3.28Å; S115-L119 WeakPolarHBondContact O-CB 3.41Å; S115-L119 PolarHBondContact O-N 3.1Å; V117-L119 VanDerWaalsContact C-N 3.29Å; V117-L119 PolarHBondContact O-N 3.32Å; L119-Q121 VanDerWaalsContact C-N 3.32Å; L119-Q121 PolarHBondContact O-N 2.92Å; L119-S122 PolarHBondContact O-N 3.47Å; L119-I123 HydrophobicContact CG-CD1 4.5Å; L119-I123 WeakPolarHBondContact O-CG1 3.45Å; L119-I123 PolarHBondContact O-N 2.81Å; L119-L177 HydrophobicContact CD1-CB 3.99Å; L119-L177 HydrophobicContact CD1-CD2 3.66Å; L119-L177 HydrophobicContact CD1-CG 4.45Å
120	E	91.7	Very high	88.1	Confident	35 Å²	35	33.4 Å²	33.4	16%	0.164	17%	0.167	C	C	.	.	H	α-helix	trans	-59.2	-42	173.1	-174.4	-177.9	132.4	0	0	111.6	R68 S116 V117 E124	R68-E120 WeakPolarHBondContact CD-OE2 3.41Å; R68-E120 IonicContact CZ-OE2 3.93Å; R68-E120 IonicContact NE-OE2 2.72Å; R68-E120 IonicContact NH1-OE2 2.78Å; R68-E120 PolarHBondContact NH1-OE2 2.74Å; S116-E120 WeakPolarHBondContact O-CB 3.31Å; S116-E120 PolarHBondContact O-N 3.21Å; V117-E120 WeakPolarHBondContact O-CB 3.31Å; V117-E120 PolarHBondContact O-N 3.2Å; E120-E124 PolarHBondContact O-N 3.14Å
121	Q	92.9	Very high	86.9	Confident	5 Å²	5	35.7 Å²	35.7	2%	0.023	18%	0.178	C	C	.	.	H	α-helix	trans	-72.1	-32.3	175.6	-62.2	-42.1	-65.4	0	0	113.3	L53 R109 D110 V117 A118 L119 E124 F125	L53-Q121 HydrophobicContact CD2-CB 3.95Å; R109-Q121 HydrophobicContact CB-CB 3.89Å; R109-Q121 HydrophobicContact CB-CG 3.98Å; R109-Q121 VanDerWaalsContact NH1-OE1 3.13Å; D110-Q121 WeakPolarHBondContact O-CG 3.28Å; V117-Q121 PolarHBondContact O-N 3.18Å; A118-Q121 PolarHBondContact O-N 3Å; L119-Q121 VanDerWaalsContact C-N 3.32Å; L119-Q121 PolarHBondContact O-N 2.92Å; Q121-E124 PolarHBondContact O-N 3.27Å; Q121-F125 PolarHBondContact O-N 3.48Å
122	S	94.4	Very high	85.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68.6	-36.2	176.1	-56.3	0	0	0	0	112.2	A118 L119 E124 F125 I126	A118-S122 WeakPolarHBondContact O-CB 3.34Å; A118-S122 PolarHBondContact O-N 2.94Å; A118-S122 PolarHBondContact O-OG 3.47Å; L119-S122 PolarHBondContact O-N 3.47Å; S122-E124 VanDerWaalsContact C-N 3.29Å; S122-E124 PolarHBondContact O-N 3.48Å; S122-F125 PolarHBondContact O-N 2.86Å; S122-I126 PolarHBondContact O-N 3.4Å; S122-I126 VanDerWaalsContact O-N 3.14Å
123	I	91.6	Very high	83.8	Confident	90 Å²	90	43 Å²	43	46%	0.462	22%	0.22	S	C	.	.	H	α-helix	trans	-61.3	-38.9	171.2	-70.2	165.5	0	0	0	110.7	L119 I126 R127 L177	L119-I123 HydrophobicContact CG-CD1 4.5Å; L119-I123 WeakPolarHBondContact O-CG1 3.45Å; L119-I123 PolarHBondContact O-N 2.81Å; I123-I126 PolarHBondContact O-N 3.23Å; I123-R127 VanDerWaalsContact O-CB 3.26Å; I123-R127 WeakPolarHBondContact O-CB 3.31Å; I123-R127 PolarHBondContact O-N 3.1Å; I123-L177 HydrophobicContact CG1-CD2 3.68Å
124	E	89	Confident	82.5	Confident	53 Å²	53	49.7 Å²	49.7	25%	0.248	25%	0.245	C	C	.	.	H	α-helix	trans	-72.3	-35.9	178.4	-70.9	-74.5	123.5	0	0	113	E120 Q121 S122 I126 R127 D128	E120-E124 PolarHBondContact O-N 3.14Å; Q121-E124 PolarHBondContact O-N 3.27Å; S122-E124 VanDerWaalsContact C-N 3.29Å; S122-E124 PolarHBondContact O-N 3.48Å; E124-I126 VanDerWaalsContact C-N 3.33Å; E124-I126 PolarHBondContact O-N 3Å; E124-R127 WeakPolarHBondContact O-CB 2.99Å; E124-R127 PolarHBondContact O-N 3.42Å; E124-R127 WeakPolarHBondContact OE1-CD 3.24Å; E124-R127 IonicContact OE1-CZ 3.5Å; E124-R127 IonicContact OE1-NE 3.54Å; E124-R127 IonicContact OE1-NH1 3.27Å; E124-R127 PolarHBondContact OE1-NH1 2.98Å; E124-R127 IonicContact OE2-NH1 3.52Å; E124-D128 PolarHBondContact O-N 3.18Å
125	F	89.9	Confident	80.7	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-56.6	-45.2	168.8	-71.9	-32.4	0	0	0	112.4	L53 E107 R109 Q121 S122 S129 I159 V162	L53-F125 HydrophobicContact CD1-CE2 4.48Å; L53-F125 HydrophobicContact CD2-CE2 3.77Å; L53-F125 HydrophobicContact CD2-CZ 4.18Å; L53-F125 HydrophobicContact CG-CE2 3.9Å; E107-F125 HydrophobicContact CB-CE1 4.24Å; E107-F125 HydrophobicContact CG-CE1 4.28Å; E107-F125 WeakPolarHBondContact O-CE1 2.99Å; E107-F125 WeakPolarHBondContact O-CZ 3.41Å; R109-F125 HydrophobicContact CB-CE1 4.28Å; R109-F125 HydrophobicContact CB-CZ 4.04Å; R109-F125 HydrophobicContact CG-CE1 3.68Å; R109-F125 HydrophobicContact CG-CZ 3.96Å; Q121-F125 PolarHBondContact O-N 3.48Å; S122-F125 PolarHBondContact O-N 2.86Å; F125-S129 PolarHBondContact O-N 3.32Å; F125-S129 VanDerWaalsContact O-N 3.17Å; F125-S129 PolarHBondContact O-OG 3.41Å; F125-I159 HydrophobicContact CB-CD1 3.59Å; F125-I159 HydrophobicContact CD1-CD1 3.27Å; F125-I159 HydrophobicContact CE1-CD1 4.04Å; F125-I159 HydrophobicContact CG-CD1 3.62Å; F125-V162 HydrophobicContact CD2-CG2 4.24Å; F125-V162 HydrophobicContact CE2-CG1 4.24Å; F125-V162 HydrophobicContact CE2-CG2 4.4Å
126	I	87.5	Confident	78.8	Confident	9 Å²	9	56.9 Å²	56.9	5%	0.046	28%	0.281	C	S	.	.	H	α-helix	trans	-70.2	-39	177.9	-73.3	158.6	0	0	0	110.9	S122 I123 E124 D128 S129 L130 L177 L178 F181 I183	S122-I126 PolarHBondContact O-N 3.4Å; S122-I126 VanDerWaalsContact O-N 3.14Å; I123-I126 PolarHBondContact O-N 3.23Å; E124-I126 VanDerWaalsContact C-N 3.33Å; E124-I126 PolarHBondContact O-N 3Å; I126-D128 VanDerWaalsContact C-N 3.35Å; I126-D128 PolarHBondContact O-N 3.27Å; I126-S129 CarbonylContact O-C 3.59Å; I126-S129 PolarHBondContact O-N 3.29Å; I126-L130 HydrophobicContact CG2-CD1 3.78Å; I126-L130 HydrophobicContact CG2-CG 4.15Å; I126-L130 WeakPolarHBondContact O-CB 3.42Å; I126-L130 WeakPolarHBondContact O-CG 3.36Å; I126-L130 PolarHBondContact O-N 3.06Å; I126-L177 HydrophobicContact CD1-CD1 3.96Å; I126-L177 HydrophobicContact CD1-CD2 3.84Å; I126-L177 HydrophobicContact CD1-CG 3.52Å; I126-L178 HydrophobicContact CD1-CD2 4.27Å; I126-F181 HydrophobicContact CD1-CD2 3.52Å; I126-F181 HydrophobicContact CD1-CE2 3.81Å; I126-F181 HydrophobicContact CD1-CG 4.28Å; I126-F181 HydrophobicContact CG1-CD2 3.94Å; I126-F181 HydrophobicContact CG1-CE2 4.37Å; I126-F181 HydrophobicContact CG1-CG 4.23Å; I126-F181 HydrophobicContact CG2-CD1 3.94Å; I126-F181 HydrophobicContact CG2-CD2 3.95Å; I126-F181 HydrophobicContact CG2-CE1 3.72Å; I126-F181 HydrophobicContact CG2-CE2 3.74Å; I126-F181 HydrophobicContact CG2-CG 4.06Å; I126-F181 HydrophobicContact CG2-CZ 3.62Å; I126-I183 HydrophobicContact CG1-CD1 4.13Å
127	R	83.7	Confident	76.9	Confident	137 Å²	137	62.2 Å²	62.2	52%	0.517	30%	0.297	S	S	.	.	H	α-helix	trans	-58.1	-46.7	175.5	179.4	-172.5	-170.2	152.6	6.1	111.8	I123 E124 S129 L130 I131	I123-R127 VanDerWaalsContact O-CB 3.26Å; I123-R127 WeakPolarHBondContact O-CB 3.31Å; I123-R127 PolarHBondContact O-N 3.1Å; E124-R127 WeakPolarHBondContact O-CB 2.99Å; E124-R127 PolarHBondContact O-N 3.42Å; E124-R127 WeakPolarHBondContact OE1-CD 3.24Å; E124-R127 IonicContact OE1-CZ 3.5Å; E124-R127 IonicContact OE1-NE 3.54Å; E124-R127 IonicContact OE1-NH1 3.27Å; E124-R127 PolarHBondContact OE1-NH1 2.98Å; E124-R127 IonicContact OE2-NH1 3.52Å; R127-S129 VanDerWaalsContact C-N 3.3Å; R127-S129 PolarHBondContact O-N 3.03Å; R127-L130 PolarHBondContact O-N 3.29Å; R127-I131 HydrophobicContact CG-CD1 4Å; R127-I131 WeakPolarHBondContact O-CB 3.44Å; R127-I131 VanDerWaalsContact O-CG1 3.27Å; R127-I131 WeakPolarHBondContact O-CG1 3.49Å; R127-I131 PolarHBondContact O-N 3.25Å
128	D	69.8	Low	74.9	Confident	11 Å²	11	68.9 Å²	68.9	6%	0.059	33%	0.333	C	S	.	.	H	α-helix	trans	-65	-36.4	178.4	-72.4	-33.6	0	0	0	111.4	R109 E124 I126 I131 S132 K156	R109-D128 IonicContact NH2-OD2 3.81Å; R109-D128 PolarHBondContact NH2-OD2 3.42Å; R109-D128 VanDerWaalsContact NH2-OD2 3.07Å; E124-D128 PolarHBondContact O-N 3.18Å; I126-D128 VanDerWaalsContact C-N 3.35Å; I126-D128 PolarHBondContact O-N 3.27Å; D128-I131 PolarHBondContact O-N 3.34Å; D128-S132 PolarHBondContact O-N 2.84Å; D128-S132 VanDerWaalsContact O-N 3.09Å; D128-K156 HydrophobicContact CB-CD 3.69Å; D128-K156 WeakPolarHBondContact OD1-CD 3.44Å; D128-K156 WeakPolarHBondContact OD1-CE 3.21Å; D128-K156 IonicContact OD1-NZ 2.69Å; D128-K156 PolarHBondContact OD1-NZ 3.16Å; D128-K156 IonicContact OD2-NZ 3.12Å; D128-K156 PolarHBondContact OD2-NZ 3.42Å
129	S	70.9	Confident	72.9	Confident	10 Å²	10	72.9 Å²	72.9	7%	0.07	38%	0.375	C	S	.	.	H	α-helix	trans	-69.7	-38	173.1	-54.1	0	0	0	0	113.1	F125 I126 R127 I131 S132 I133 I159	F125-S129 PolarHBondContact O-N 3.32Å; F125-S129 VanDerWaalsContact O-N 3.17Å; F125-S129 PolarHBondContact O-OG 3.41Å; I126-S129 CarbonylContact O-C 3.59Å; I126-S129 PolarHBondContact O-N 3.29Å; R127-S129 VanDerWaalsContact C-N 3.3Å; R127-S129 PolarHBondContact O-N 3.03Å; S129-I131 VanDerWaalsContact C-N 3.31Å; S129-I131 PolarHBondContact O-N 3Å; S129-S132 PolarHBondContact O-N 2.88Å; S129-S132 PolarHBondContact O-OG 3Å; S129-I133 WeakPolarHBondContact O-CD1 3.36Å; S129-I133 VanDerWaalsContact O-CG1 3.31Å; S129-I133 WeakPolarHBondContact O-CG1 3.31Å; S129-I133 PolarHBondContact O-N 3.22Å; S129-I159 PolarHBondContact OG-N 2.9Å
130	L	74.9	Confident	71	Confident	89 Å²	89	74.2 Å²	74.2	47%	0.466	39%	0.389	S	S	.	.	H	α-helix	trans	-71.6	-25.3	175.1	-72.3	172.9	0	0	0	112.9	I126 R127 F181	I126-L130 HydrophobicContact CG2-CD1 3.78Å; I126-L130 HydrophobicContact CG2-CG 4.15Å; I126-L130 WeakPolarHBondContact O-CB 3.42Å; I126-L130 WeakPolarHBondContact O-CG 3.36Å; I126-L130 PolarHBondContact O-N 3.06Å; R127-L130 PolarHBondContact O-N 3.29Å; L130-F181 HydrophobicContact CD1-CE1 4.17Å; L130-F181 HydrophobicContact CD2-CE1 4.25Å; L130-F181 HydrophobicContact CG-CE1 4.49Å
131	I	69.7	Low	69.1	Low	60 Å²	60	79.7 Å²	79.7	31%	0.308	41%	0.412	S	S	.	.	H	α-helix	trans	-73	-39.5	171.1	-73.4	166.3	0	0	0	110.3	R127 D128 S129 I133 R134 W142 P153	R127-I131 HydrophobicContact CG-CD1 4Å; R127-I131 WeakPolarHBondContact O-CB 3.44Å; R127-I131 VanDerWaalsContact O-CG1 3.27Å; R127-I131 WeakPolarHBondContact O-CG1 3.49Å; R127-I131 PolarHBondContact O-N 3.25Å; D128-I131 PolarHBondContact O-N 3.34Å; S129-I131 VanDerWaalsContact C-N 3.31Å; S129-I131 PolarHBondContact O-N 3Å; I131-I133 PolarHBondContact O-N 3.22Å; I131-R134 PolarHBondContact O-N 2.94Å; I131-W142 HydrophobicContact CG2-CZ3 4.19Å; I131-P153 HydrophobicContact CG2-CG 4.22Å
132	S	61.9	Low	67.3	Low	40 Å²	40	82.7 Å²	82.7	28%	0.28	42%	0.423	S	S	.	.	H	α-helix	trans	-68	-31.7	-179.8	77.7	0	0	0	0	113.9	D128 S129 R134 K156 P158	D128-S132 PolarHBondContact O-N 2.84Å; D128-S132 VanDerWaalsContact O-N 3.09Å; S129-S132 PolarHBondContact O-N 2.88Å; S129-S132 PolarHBondContact O-OG 3Å; S132-R134 VanDerWaalsContact C-N 3.28Å; S132-R134 PolarHBondContact O-N 3.25Å; S132-K156 WeakPolarHBondContact CB-O 3.43Å; S132-P158 WeakPolarHBondContact OG-CD 3.46Å
133	I	59.8	Low	65.2	Low	115 Å²	115	87.3 Å²	87.3	59%	0.59	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-9.2	-179	-65.2	163.4	0	0	0	112.4	S129 I131 D135	S129-I133 WeakPolarHBondContact O-CD1 3.36Å; S129-I133 VanDerWaalsContact O-CG1 3.31Å; S129-I133 WeakPolarHBondContact O-CG1 3.31Å; S129-I133 PolarHBondContact O-N 3.22Å; I131-I133 PolarHBondContact O-N 3.22Å; I133-D135 PolarHBondContact O-N 2.7Å
134	R	59.4	Low	63.4	Low	195 Å²	195	86.8 Å²	86.8	74%	0.736	45%	0.451	S	S	*	.	S	Bend	trans	-80	89	175.8	-85.4	-173.4	163.4	175.6	-3.5	112.1	I131 S132	I131-R134 PolarHBondContact O-N 2.94Å; S132-R134 VanDerWaalsContact C-N 3.28Å; S132-R134 PolarHBondContact O-N 3.25Å
135	D	49.4	Very low	61.5	Low	96 Å²	96	89.4 Å²	89.4	51%	0.513	47%	0.467	S	S	.	.			trans	-41.9	127.6	173.6	-159.2	2.6	0	0	0	113.7	I133 K137 D138	I133-D135 PolarHBondContact O-N 2.7Å; D135-K137 PolarHBondContact O-N 2.7Å; D135-K137 IonicContact OD1-NZ 3.05Å; D135-K137 PolarHBondContact OD1-NZ 2.86Å; D135-K137 WeakPolarHBondContact OD2-CD 3.46Å; D135-K137 IonicContact OD2-NZ 2.64Å; D135-K137 PolarHBondContact OD2-NZ 3.44Å; D135-D138 PolarHBondContact O-N 3.39Å
136	D	50.2	Low	59.7	Low	138 Å²	138	92.7 Å²	92.7	74%	0.738	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-3.5	-178.9	-91.2	-43.6	0	0	0	114.4
137	K	49.2	Very low	57.7	Low	164 Å²	164	96.7 Å²	96.7	71%	0.713	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-31.7	-178.1	-59.3	-174.9	-168.4	74.6	0	113.1	D135 G139	D135-K137 PolarHBondContact O-N 2.7Å; D135-K137 IonicContact OD1-NZ 3.05Å; D135-K137 PolarHBondContact OD1-NZ 2.86Å; D135-K137 WeakPolarHBondContact OD2-CD 3.46Å; D135-K137 IonicContact OD2-NZ 2.64Å; D135-K137 PolarHBondContact OD2-NZ 3.44Å; K137-G139 PolarHBondContact O-N 3.38Å
138	D	48.9	Very low	56.2	Low	141 Å²	141	94 Å²	94	75%	0.754	53%	0.526	S	S	*	.	S	Bend	trans	-87.9	81.9	175.5	-97.1	-19	0	0	0	110.4	D135 S140	D135-D138 PolarHBondContact O-N 3.39Å; D138-S140 VanDerWaalsContact C-N 3.33Å; D138-S140 WeakPolarHBondContact O-CB 3.33Å; D138-S140 PolarHBondContact O-N 2.9Å; D138-S140 PolarHBondContact O-OG 3.01Å
139	G	52.8	Low	55.2	Low	85 Å²	85	95 Å²	95	88%	0.876	53%	0.534	S	S	*	.			trans	-56.7	82.9	-174.3	0	0	0	0	0	114.7	K137	K137-G139 PolarHBondContact O-N 3.38Å
140	S	53.4	Low	54.1	Low	86 Å²	86	101.4 Å²	101.4	60%	0.601	57%	0.567	S	S	*	*			trans	-124.9	147.3	-169.6	55.4	0	0	0	0	111.5	D138	D138-S140 VanDerWaalsContact C-N 3.33Å; D138-S140 WeakPolarHBondContact O-CB 3.33Å; D138-S140 PolarHBondContact O-N 2.9Å; D138-S140 PolarHBondContact O-OG 3.01Å
141	K	51.9	Low	52.7	Low	150 Å²	150	104.4 Å²	104.4	65%	0.652	58%	0.579	S	S	*	*			trans	-76.8	129.1	-174	-71.4	176.5	175.1	178.8	0	111.1	C143 P148	K141-C143 PolarHBondContact O-N 3.37Å; K141-C143 VanDerWaalsContact O-N 3.1Å; K141-P148 HydrophobicContact CB-CB 4.26Å; K141-P148 HydrophobicContact CD-CB 4.1Å
142	W	53.9	Low	51.8	Low	68 Å²	68	105.2 Å²	105.2	26%	0.258	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.5	98.7	177.7	-63.9	96	0	0	0	110.7	I131 I144 S149 P152 P153	I131-W142 HydrophobicContact CG2-CZ3 4.19Å; W142-I144 VanDerWaalsContact C-N 3.26Å; W142-I144 PolarHBondContact O-N 3Å; W142-S149 PolarHBondContact N-O 3.34Å; W142-S149 WeakPolarHBondContact O-CB 3.2Å; W142-S149 PolarHBondContact O-N 2.98Å; W142-P152 HydrophobicContact CZ2-CB 4.29Å; W142-P153 HydrophobicContact CD2-CG 4.2Å; W142-P153 HydrophobicContact CE3-CG 3.71Å; W142-P153 HydrophobicContact CH2-CG 4.13Å; W142-P153 HydrophobicContact CZ3-CG 3.67Å
143	C	51.9	Low	51.4	Low	96 Å²	96	104.9 Å²	104.9	65%	0.649	59%	0.585	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77.4	72.8	176.2	-72.5	0	0	0	0	111.8	K141	K141-C143 PolarHBondContact O-N 3.37Å; K141-C143 VanDerWaalsContact O-N 3.1Å
144	I	52.7	Low	51.2	Low	79 Å²	79	104.8 Å²	104.8	41%	0.405	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.9	123.5	169.1	-55.9	177.7	0	0	0	107.6	W142 G146 T147	W142-I144 VanDerWaalsContact C-N 3.26Å; W142-I144 PolarHBondContact O-N 3Å; I144-G146 PolarHBondContact O-N 2.89Å; I144-T147 PolarHBondContact N-O 3.31Å; I144-T147 PolarHBondContact O-N 3.21Å; I144-T147 PolarHBondContact O-OG1 2.7Å
145	D	50	Low	51	Low	109 Å²	109	101 Å²	101	58%	0.583	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.6	29.7	177.8	-72.7	16.4	0	0	0	115.6	R35 T147	R35-D145 IonicContact CZ-OD1 3.72Å; R35-D145 IonicContact CZ-OD2 2.69Å; R35-D145 VanDerWaalsContact NH1-CG 3.3Å; R35-D145 IonicContact NH1-OD1 2.69Å; R35-D145 IonicContact NH1-OD2 3.99Å; R35-D145 PolarHBondContact NH1-OD2 2.97Å; R35-D145 VanDerWaalsContact NH2-CG 3.31Å; R35-D145 IonicContact NH2-OD1 2.85Å; R35-D145 PolarHBondContact NH2-OD1 2.93Å; R35-D145 IonicContact NH2-OD2 2.77Å; R35-D145 PolarHBondContact NH2-OD2 3.46Å; D145-T147 PolarHBondContact O-N 3.44Å
146	G	50.8	Low	51.7	Low	68 Å²	68	99.4 Å²	99.4	70%	0.701	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	79.2	-7.3	-179.3	0	0	0	0	0	114.6	I144	I144-G146 PolarHBondContact O-N 2.89Å
147	T	46.9	Very low	52.9	Low	94 Å²	94	96.3 Å²	96.3	58%	0.577	56%	0.564	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89	131.4	167.8	39.4	0	0	0	0	111.2	I144 D145 S149	I144-T147 PolarHBondContact N-O 3.31Å; I144-T147 PolarHBondContact O-N 3.21Å; I144-T147 PolarHBondContact O-OG1 2.7Å; D145-T147 PolarHBondContact O-N 3.44Å; T147-S149 PolarHBondContact O-N 3.33Å
148	P	51	Low	54.5	Low	80 Å²	80	90.3 Å²	90.3	52%	0.519	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	107.8	174	28.7	-32.3	0	0	0	110.4	K141	K141-P148 HydrophobicContact CB-CB 4.26Å; K141-P148 HydrophobicContact CD-CB 4.1Å
149	S	49.5	Very low	56.5	Low	31 Å²	31	84.2 Å²	84.2	22%	0.217	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	140.3	169.7	-179.3	0	0	0	0	111.2	W142 T147 Q151	W142-S149 PolarHBondContact N-O 3.34Å; W142-S149 WeakPolarHBondContact O-CB 3.2Å; W142-S149 PolarHBondContact O-N 2.98Å; T147-S149 PolarHBondContact O-N 3.33Å; S149-Q151 PolarHBondContact OG-N 3.45Å; S149-Q151 PolarHBondContact OG-O 3.42Å
150	N	47.4	Very low	58.4	Low	146 Å²	146	80.6 Å²	80.6	78%	0.781	47%	0.471	S	S	*	.	S	Bend	trans	-93.2	-5.6	167.7	-71	-8.8	0	0	0	112.6
151	Q	46.3	Very low	60.4	Low	151 Å²	151	76.5 Å²	76.5	71%	0.706	44%	0.442	S	S	*	.	S	Bend	trans	-93.6	131.8	169.5	-70.3	-179.6	-32.3	0	0	108.8	S149	S149-Q151 PolarHBondContact OG-N 3.45Å; S149-Q151 PolarHBondContact OG-O 3.42Å
152	P	50.5	Low	62.6	Low	78 Å²	78	69.3 Å²	69.3	51%	0.506	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-61.6	148.4	166.5	28.7	-33.8	0	0	0	109.4	W142	W142-P152 HydrophobicContact CZ2-CB 4.29Å
153	P	53.9	Low	64.7	Low	33 Å²	33	66.1 Å²	66.1	21%	0.214	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-59.1	153.6	166.4	29.3	-34.5	0	0	0	109.3	I131 W142 S155	I131-P153 HydrophobicContact CG2-CG 4.22Å; W142-P153 HydrophobicContact CD2-CG 4.2Å; W142-P153 HydrophobicContact CE3-CG 3.71Å; W142-P153 HydrophobicContact CH2-CG 4.13Å; W142-P153 HydrophobicContact CZ3-CG 3.67Å; P153-S155 PolarHBondContact O-N 2.91Å
154	P	54.7	Low	66.8	Low	113 Å²	113	61.5 Å²	61.5	73%	0.734	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-54.7	128.3	173.4	24.3	-33.8	0	0	0	109.1	K156	P154-K156 VanDerWaalsContact C-N 3.33Å; P154-K156 PolarHBondContact O-N 3.11Å
155	S	55.2	Low	68.8	Low	116 Å²	116	57.8 Å²	57.8	81%	0.811	35%	0.349	S	S	*	.			trans	-66.4	86.6	-171.8	56.2	0	0	0	0	111.1	P153	P153-S155 PolarHBondContact O-N 2.91Å
156	K	65.1	Low	70.6	Confident	61 Å²	61	52.7 Å²	52.7	27%	0.265	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-63.1	135.6	168.5	-66.8	-175.4	176.9	-176.2	0	108.3	D128 S132 P154	D128-K156 HydrophobicContact CB-CD 3.69Å; D128-K156 WeakPolarHBondContact OD1-CD 3.44Å; D128-K156 WeakPolarHBondContact OD1-CE 3.21Å; D128-K156 IonicContact OD1-NZ 2.69Å; D128-K156 PolarHBondContact OD1-NZ 3.16Å; D128-K156 IonicContact OD2-NZ 3.12Å; D128-K156 PolarHBondContact OD2-NZ 3.42Å; S132-K156 WeakPolarHBondContact CB-O 3.43Å; P154-K156 VanDerWaalsContact C-N 3.33Å; P154-K156 PolarHBondContact O-N 3.11Å
157	K	74.5	Confident	72.4	Confident	74 Å²	74	50 Å²	50	32%	0.322	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-79.4	152.5	170.1	-73.2	-174.6	165.4	-173.5	0	110.2	D47 I49	D47-K157 WeakPolarHBondContact O-CD 3.43Å; D47-K157 PolarHBondContact O-NZ 3.47Å; D47-K157 IonicContact OD1-NZ 2.93Å; I49-K157 HydrophobicContact CG1-CB 3.97Å
158	P	83.8	Confident	74.5	Confident	38 Å²	38	45.7 Å²	45.7	25%	0.247	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-63.6	154.7	172.7	29.7	-33.6	0	0	0	110.9	S132 P447	S132-P158 WeakPolarHBondContact OG-CD 3.46Å; P158-P447 HydrophobicContact CG-CB 4.11Å
159	I	90.5	Very high	76.2	Confident	12 Å²	12	44.4 Å²	44.4	6%	0.062	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	122.4	178.1	-72.4	164	0	0	0	109.5	I49 F125 S129 G161 V162	I49-I159 HydrophobicContact CG2-CG1 4.06Å; I49-I159 WeakPolarHBondContact O-CA 3.33Å; F125-I159 HydrophobicContact CB-CD1 3.59Å; F125-I159 HydrophobicContact CD1-CD1 3.27Å; F125-I159 HydrophobicContact CE1-CD1 4.04Å; F125-I159 HydrophobicContact CG-CD1 3.62Å; S129-I159 PolarHBondContact OG-N 2.9Å; I159-G161 VanDerWaalsContact CG2-O 3.24Å; I159-G161 WeakPolarHBondContact CG2-O 3.29Å; I159-V162 HydrophobicContact CG2-CG2 4.08Å
160	A	92.7	Very high	78.2	Confident	9 Å²	9	43.1 Å²	43.1	7%	0.074	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	-26.2	-175.8	0	0	0	0	0	113.5	V48 I49 P184 I448 L453	V48-A160 HydrophobicContact CG1-CB 3.66Å; I49-A160 PolarHBondContact O-N 3.23Å; A160-P184 WeakPolarHBondContact O-CD 3.35Å; A160-I448 HydrophobicContact CB-CB 4.4Å; A160-I448 HydrophobicContact CB-CD1 3.96Å; A160-I448 HydrophobicContact CB-CG2 4.4Å; A160-L453 HydrophobicContact CB-CD2 4.47Å; A160-L453 WeakPolarHBondContact O-CD2 3.26Å
161	G	95.9	Very high	80.5	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	163.3	179.7	0	0	0	0	0	111.3	G51 I159 P184	G51-G161 PolarHBondContact N-O 3.32Å; I159-G161 VanDerWaalsContact CG2-O 3.24Å; I159-G161 WeakPolarHBondContact CG2-O 3.29Å; G161-P184 CarbonylContact C-O 3.6Å; G161-P184 VanDerWaalsContact CA-O 3.25Å; G161-P184 WeakPolarHBondContact CA-O 3.38Å
162	V	97.8	Very high	82.8	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.1	-176.4	178.1	0	0	0	0	111.5	G51 L53 F125 I159 L178 I183 P184 Q185 I186	G51-V162 CarbonylContact O-C 3.54Å; G51-V162 WeakPolarHBondContact O-CA 3.37Å; L53-V162 HydrophobicContact CD1-CG1 4.4Å; L53-V162 HydrophobicContact CG-CG1 4.39Å; F125-V162 HydrophobicContact CD2-CG2 4.24Å; F125-V162 HydrophobicContact CE2-CG1 4.24Å; F125-V162 HydrophobicContact CE2-CG2 4.4Å; I159-V162 HydrophobicContact CG2-CG2 4.08Å; V162-L178 HydrophobicContact CB-CD1 3.8Å; V162-L178 HydrophobicContact CG1-CD1 4.25Å; V162-L178 HydrophobicContact CG2-CD1 3.85Å; V162-L178 HydrophobicContact CG2-CD2 4.12Å; V162-I183 HydrophobicContact CG2-CG2 4.06Å; V162-P184 PolarHBondContact N-O 3.21Å; V162-Q185 CarbonylContact O-C 3.5Å; V162-Q185 VanDerWaalsContact O-CA 3.31Å; V162-Q185 WeakPolarHBondContact O-CA 3.01Å; V162-I186 PolarHBondContact O-N 3.26Å
163	I	98.4	Very high	84.9	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.8	176.3	-62.6	179.3	0	0	0	110.8	I50 G51 A52 L53 M85 I186 Y188 A419 I420 M423	I50-I163 HydrophobicContact CG2-CD1 3.85Å; I50-I163 HydrophobicContact CG2-CG1 4.02Å; G51-I163 PolarHBondContact O-N 3.02Å; A52-I163 WeakPolarHBondContact CA-O 3.4Å; A52-I163 HydrophobicContact CB-CB 4.43Å; L53-I163 PolarHBondContact N-O 3.11Å; M85-I163 HydrophobicContact CE-CD1 4.47Å; I163-I186 WeakPolarHBondContact CA-O 3.47Å; I163-Y188 HydrophobicContact CG2-CD1 3.95Å; I163-Y188 HydrophobicContact CG2-CE1 4.37Å; I163-A419 HydrophobicContact CG2-CB 4.03Å; I163-I420 HydrophobicContact CD1-CB 4.2Å; I163-I420 HydrophobicContact CD1-CG1 3.54Å; I163-M423 HydrophobicContact CG1-CE 4.48Å
164	G	95.6	Very high	86.9	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.167	C	C	.	.			trans	85	-163.4	-173.6	0	0	0	0	0	113.5	Q185 I186	G164-Q185 WeakPolarHBondContact O-CG 3.31Å; G164-Q185 PolarHBondContact O-NE2 3.2Å; G164-I186 PolarHBondContact N-O 3.01Å
165	P	95	Very high	88.8	Confident	1 Å²	1	23 Å²	23	1%	0.006	13%	0.132	C	C	.	.			cis	-75.4	177.6	-1.6	32.8	-34.8	0	0	0	113.3	L53 S167 V170 A171 V174	L53-P165 HydrophobicContact CB-CB 3.96Å; L53-P165 WeakPolarHBondContact O-CA 3.33Å; P165-S167 PolarHBondContact O-N 3.33Å; P165-V170 HydrophobicContact CB-CG1 4.17Å; P165-V170 HydrophobicContact CG-CB 4.01Å; P165-V170 HydrophobicContact CG-CG1 3.66Å; P165-A171 HydrophobicContact CG-CB 4.17Å; P165-V174 HydrophobicContact CG-CG2 4.19Å
166	G	87.6	Confident	90.8	Very high	2 Å²	2	20.6 Å²	20.6	2%	0.021	11%	0.11	C	C	.	.	S	Bend	trans	-86.1	5.6	-174	0	0	0	0	0	117.1	W113 Y188 S189	W113-G166 WeakPolarHBondContact CH2-O 3.31Å; G166-Y188 PolarHBondContact N-OH 3.47Å; G166-S189 VanDerWaalsContact O-CB 3.25Å; G166-S189 WeakPolarHBondContact O-CB 3.47Å
167	S	87.7	Confident	92.2	Very high	10 Å²	10	19.1 Å²	19.1	7%	0.07	11%	0.105	C	C	.	.	S	Bend	trans	-127.4	132.1	-179.8	169.2	0	0	0	0	110.4	P165 S169 V170 A171	P165-S167 PolarHBondContact O-N 3.33Å; S167-S169 PolarHBondContact O-N 3.03Å; S167-S169 PolarHBondContact OG-OG 3.27Å; S167-V170 PolarHBondContact O-N 3.1Å; S167-A171 WeakPolarHBondContact O-CB 3.49Å; S167-A171 PolarHBondContact O-N 3.28Å
168	S	90.6	Very high	93.2	Very high	5 Å²	5	15.6 Å²	15.6	4%	0.035	9%	0.09	C	C	.	.	H	α-helix	trans	-57.4	-47.2	-176.3	-54.3	0	0	0	0	113.4	V170 A171 I172 A190 T191 S192	S168-V170 VanDerWaalsContact C-N 3.29Å; S168-V170 PolarHBondContact O-N 3.38Å; S168-A171 PolarHBondContact O-N 2.89Å; S168-I172 WeakPolarHBondContact O-CG1 3.43Å; S168-I172 PolarHBondContact O-N 2.86Å; S168-A190 WeakPolarHBondContact OG-CA 3.31Å; S168-T191 PolarHBondContact OG-N 3Å; S168-S192 VanDerWaalsContact CB-CB 3.45Å; S168-S192 PolarHBondContact OG-N 3.17Å
169	S	88.3	Confident	93.7	Very high	53 Å²	53	15.9 Å²	15.9	37%	0.371	9%	0.088	S	C	.	.	H	α-helix	trans	-67.5	-29.7	-179.3	59.6	0	0	0	0	112.7	S167 Q173	S167-S169 PolarHBondContact O-N 3.03Å; S167-S169 PolarHBondContact OG-OG 3.27Å; S169-Q173 WeakPolarHBondContact O-CG 3.35Å
170	V	91.4	Very high	93.9	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.018	12%	0.116	C	C	.	.	H	α-helix	trans	-75.9	-41.4	173.2	-173	0	0	0	0	110.3	A118 P165 S167 S168 Q173 V174	A118-V170 HydrophobicContact CB-CG1 3.36Å; P165-V170 HydrophobicContact CB-CG1 4.17Å; P165-V170 HydrophobicContact CG-CB 4.01Å; P165-V170 HydrophobicContact CG-CG1 3.66Å; S167-V170 PolarHBondContact O-N 3.1Å; S168-V170 VanDerWaalsContact C-N 3.29Å; S168-V170 PolarHBondContact O-N 3.38Å; V170-Q173 PolarHBondContact O-N 3.11Å; V170-V174 WeakPolarHBondContact O-CG2 3.37Å; V170-V174 PolarHBondContact O-N 3.21Å; V170-V174 VanDerWaalsContact O-N 3.09Å
171	A	95.3	Very high	93.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-42.6	179.9	0	0	0	0	0	112.3	P165 S167 S168 Q173 V174 Q175 A190 L195 F204	P165-A171 HydrophobicContact CG-CB 4.17Å; S167-A171 WeakPolarHBondContact O-CB 3.49Å; S167-A171 PolarHBondContact O-N 3.28Å; S168-A171 PolarHBondContact O-N 2.89Å; A171-Q173 VanDerWaalsContact C-N 3.28Å; A171-Q173 PolarHBondContact O-N 3.4Å; A171-V174 PolarHBondContact O-N 3.44Å; A171-Q175 VanDerWaalsContact O-CB 3.28Å; A171-Q175 WeakPolarHBondContact O-CB 3.4Å; A171-Q175 PolarHBondContact O-N 2.71Å; A171-A190 HydrophobicContact CB-CB 3.83Å; A171-L195 HydrophobicContact CB-CD1 4.47Å; A171-F204 HydrophobicContact CB-CE2 4.27Å
172	I	94.3	Very high	93.8	Very high	11 Å²	11	28.4 Å²	28.4	6%	0.056	15%	0.149	C	C	.	.	H	α-helix	trans	-54.1	-44.3	173.5	-70.4	166	0	0	0	111.3	S168 N176 D194 L195 F201 N238	S168-I172 WeakPolarHBondContact O-CG1 3.43Å; S168-I172 PolarHBondContact O-N 2.86Å; I172-N176 WeakPolarHBondContact O-CB 3.26Å; I172-N176 VanDerWaalsContact O-CG 3.24Å; I172-N176 PolarHBondContact O-N 2.79Å; I172-N176 PolarHBondContact O-ND2 2.94Å; I172-D194 HydrophobicContact CD1-CB 4.49Å; I172-L195 HydrophobicContact CD1-CG 4.46Å; I172-L195 HydrophobicContact CG1-CD1 4.27Å; I172-L195 HydrophobicContact CG1-CD2 3.6Å; I172-L195 HydrophobicContact CG1-CG 3.87Å; I172-F201 HydrophobicContact CG1-CZ 4.28Å; I172-F201 HydrophobicContact CG2-CE1 4.03Å; I172-F201 HydrophobicContact CG2-CZ 3.88Å; I172-N238 HydrophobicContact CD1-CB 3.87Å
173	Q	94.1	Very high	93.7	Very high	87 Å²	87	29 Å²	29	41%	0.407	15%	0.152	S	C	.	.	H	α-helix	trans	-72.8	-32.7	-178.5	-59.3	-56.8	-44.2	0	0	113.1	S169 V170 A171	S169-Q173 WeakPolarHBondContact O-CG 3.35Å; V170-Q173 PolarHBondContact O-N 3.11Å; A171-Q173 VanDerWaalsContact C-N 3.28Å; A171-Q173 PolarHBondContact O-N 3.4Å
174	V	96.2	Very high	93.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-69	-48.1	172.8	171.6	0	0	0	0	110.4	L53 A118 P165 V170 A171 N176 L177 L178	L53-V174 HydrophobicContact CD1-CG1 3.91Å; L53-V174 HydrophobicContact CD1-CG2 3.81Å; A118-V174 HydrophobicContact CB-CG2 3.91Å; P165-V174 HydrophobicContact CG-CG2 4.19Å; V170-V174 WeakPolarHBondContact O-CG2 3.37Å; V170-V174 PolarHBondContact O-N 3.21Å; V170-V174 VanDerWaalsContact O-N 3.09Å; A171-V174 PolarHBondContact O-N 3.44Å; V174-N176 VanDerWaalsContact C-N 3.35Å; V174-N176 PolarHBondContact O-N 3.35Å; V174-L177 WeakPolarHBondContact O-CB 3.4Å; V174-L177 PolarHBondContact O-N 3.41Å; V174-L178 HydrophobicContact CG1-CD1 3.6Å; V174-L178 HydrophobicContact CG1-CG 3.93Å; V174-L178 PolarHBondContact O-N 3.08Å
175	Q	96	Very high	93.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.1	-44.5	-179.6	175.9	58.5	26.5	0	0	112.1	A171 L177 L178 Q179 F201 F204	A171-Q175 VanDerWaalsContact O-CB 3.28Å; A171-Q175 WeakPolarHBondContact O-CB 3.4Å; A171-Q175 PolarHBondContact O-N 2.71Å; Q175-L177 PolarHBondContact O-N 2.94Å; Q175-L177 VanDerWaalsContact O-N 3.08Å; Q175-L178 PolarHBondContact O-N 3.16Å; Q175-Q179 VanDerWaalsContact O-CG 3.23Å; Q175-Q179 WeakPolarHBondContact O-CG 3.47Å; Q175-Q179 PolarHBondContact O-N 3.03Å; Q175-F201 HydrophobicContact CB-CD1 4.42Å; Q175-F201 HydrophobicContact CG-CB 4.12Å; Q175-F201 HydrophobicContact CG-CD1 3.65Å; Q175-F201 HydrophobicContact CG-CG 4.29Å; Q175-F204 HydrophobicContact CG-CB 4.05Å
176	N	95.4	Very high	93.9	Very high	66 Å²	66	29 Å²	29	35%	0.353	15%	0.151	S	C	.	.	H	α-helix	trans	-54	-26.9	175.3	-80.7	-27.3	0	0	0	113.6	I172 V174	I172-N176 WeakPolarHBondContact O-CB 3.26Å; I172-N176 VanDerWaalsContact O-CG 3.24Å; I172-N176 PolarHBondContact O-N 2.79Å; I172-N176 PolarHBondContact O-ND2 2.94Å; V174-N176 VanDerWaalsContact C-N 3.35Å; V174-N176 PolarHBondContact O-N 3.35Å
177	L	95.3	Very high	94.3	Very high	31 Å²	31	28.9 Å²	28.9	16%	0.162	15%	0.15	C	C	.	.	H	α-helix	trans	-92.3	-46.8	175.5	177.5	62.1	0	0	0	112	L119 I123 I126 V174 Q175 Q179 L180 F181	L119-L177 HydrophobicContact CD1-CB 3.99Å; L119-L177 HydrophobicContact CD1-CD2 3.66Å; L119-L177 HydrophobicContact CD1-CG 4.45Å; I123-L177 HydrophobicContact CG1-CD2 3.68Å; I126-L177 HydrophobicContact CD1-CD1 3.96Å; I126-L177 HydrophobicContact CD1-CD2 3.84Å; I126-L177 HydrophobicContact CD1-CG 3.52Å; V174-L177 WeakPolarHBondContact O-CB 3.4Å; V174-L177 PolarHBondContact O-N 3.41Å; Q175-L177 PolarHBondContact O-N 2.94Å; Q175-L177 VanDerWaalsContact O-N 3.08Å; L177-Q179 VanDerWaalsContact C-N 3.31Å; L177-Q179 PolarHBondContact O-N 3.19Å; L177-L180 WeakPolarHBondContact O-CB 3.44Å; L177-L180 PolarHBondContact O-N 2.89Å; L177-F181 HydrophobicContact CD1-CE2 4.08Å; L177-F181 WeakPolarHBondContact O-CD2 3.33Å
178	L	94.9	Very high	94.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61	-36.8	-176.9	-69.3	-177.1	0	0	0	112.9	I126 V162 V174 Q175 L180 F181 N182 I183 Q185	I126-L178 HydrophobicContact CD1-CD2 4.27Å; V162-L178 HydrophobicContact CB-CD1 3.8Å; V162-L178 HydrophobicContact CG1-CD1 4.25Å; V162-L178 HydrophobicContact CG2-CD1 3.85Å; V162-L178 HydrophobicContact CG2-CD2 4.12Å; V174-L178 HydrophobicContact CG1-CD1 3.6Å; V174-L178 HydrophobicContact CG1-CG 3.93Å; V174-L178 PolarHBondContact O-N 3.08Å; Q175-L178 PolarHBondContact O-N 3.16Å; L178-L180 PolarHBondContact O-N 2.82Å; L178-F181 CarbonylContact O-C 3.59Å; L178-F181 PolarHBondContact O-N 2.98Å; L178-N182 PolarHBondContact O-N 3.23Å; L178-I183 HydrophobicContact CB-CB 4.26Å; L178-I183 HydrophobicContact CD2-CB 4.25Å; L178-I183 HydrophobicContact CD2-CD1 4.18Å; L178-I183 HydrophobicContact CD2-CG2 4.26Å; L178-I183 PolarHBondContact O-N 3.3Å; L178-Q185 HydrophobicContact CD1-CB 4Å; L178-Q185 HydrophobicContact CD1-CG 4.13Å
179	Q	94.5	Very high	94.7	Very high	44 Å²	44	28.7 Å²	28.7	21%	0.206	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-67.6	-19.7	-179.7	68.9	-167.7	15	0	0	114.5	Q175 L177 F181 N182 L200 Y203	Q175-Q179 VanDerWaalsContact O-CG 3.23Å; Q175-Q179 WeakPolarHBondContact O-CG 3.47Å; Q175-Q179 PolarHBondContact O-N 3.03Å; L177-Q179 VanDerWaalsContact C-N 3.31Å; L177-Q179 PolarHBondContact O-N 3.19Å; Q179-F181 PolarHBondContact O-N 3.27Å; Q179-N182 PolarHBondContact O-N 3.08Å; Q179-L200 PolarHBondContact NE2-O 2.97Å; Q179-L200 PolarHBondContact OE1-O 3Å; Q179-Y203 HydrophobicContact CB-CD2 3.76Å; Q179-Y203 HydrophobicContact CB-CG 4.48Å
180	L	94.2	Very high	94.9	Very high	125 Å²	125	26.1 Å²	26.1	65%	0.654	13%	0.131	S	C	*	.	G	3₁₀ helix	trans	-71.5	-15.4	172.8	-56.9	176.7	0	0	0	112.6	L177 L178	L177-L180 WeakPolarHBondContact O-CB 3.44Å; L177-L180 PolarHBondContact O-N 2.89Å; L178-L180 PolarHBondContact O-N 2.82Å
181	F	92.6	Very high	94.9	Very high	88 Å²	88	26.2 Å²	26.2	39%	0.386	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-117.7	13.4	179.8	-61.6	-86.1	0	0	0	112.3	I126 L130 L177 L178 Q179 I183	I126-F181 HydrophobicContact CD1-CD2 3.52Å; I126-F181 HydrophobicContact CD1-CE2 3.81Å; I126-F181 HydrophobicContact CD1-CG 4.28Å; I126-F181 HydrophobicContact CG1-CD2 3.94Å; I126-F181 HydrophobicContact CG1-CE2 4.37Å; I126-F181 HydrophobicContact CG1-CG 4.23Å; I126-F181 HydrophobicContact CG2-CD1 3.94Å; I126-F181 HydrophobicContact CG2-CD2 3.95Å; I126-F181 HydrophobicContact CG2-CE1 3.72Å; I126-F181 HydrophobicContact CG2-CE2 3.74Å; I126-F181 HydrophobicContact CG2-CG 4.06Å; I126-F181 HydrophobicContact CG2-CZ 3.62Å; L130-F181 HydrophobicContact CD1-CE1 4.17Å; L130-F181 HydrophobicContact CD2-CE1 4.25Å; L130-F181 HydrophobicContact CG-CE1 4.49Å; L177-F181 HydrophobicContact CD1-CE2 4.08Å; L177-F181 WeakPolarHBondContact O-CD2 3.33Å; L178-F181 CarbonylContact O-C 3.59Å; L178-F181 PolarHBondContact O-N 2.98Å; Q179-F181 PolarHBondContact O-N 3.27Å; F181-I183 HydrophobicContact CB-CD1 4.09Å; F181-I183 HydrophobicContact CB-CG1 4.08Å; F181-I183 PolarHBondContact O-N 3.47Å
182	N	94.1	Very high	94.8	Very high	71 Å²	71	26.2 Å²	26.2	38%	0.38	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	25.1	-176.8	-59.7	-35.3	0	0	0	115	L178 Q179 P184 Y203 G450 S451	L178-N182 PolarHBondContact O-N 3.23Å; Q179-N182 PolarHBondContact O-N 3.08Å; N182-P184 WeakPolarHBondContact O-CD 3.3Å; N182-Y203 HydrophobicContact CB-CE1 4.03Å; N182-Y203 HydrophobicContact CB-CE2 4.34Å; N182-Y203 WeakPolarHBondContact CB-OH 3.4Å; N182-Y203 WeakPolarHBondContact O-CE1 3.45Å; N182-Y203 WeakPolarHBondContact OD1-CE2 3.47Å; N182-Y203 PolarHBondContact OD1-OH 3.11Å; N182-G450 CarbonylContact O-C 3.54Å; N182-G450 VanDerWaalsContact O-CA 3.28Å; N182-G450 WeakPolarHBondContact O-CA 3.01Å; N182-S451 PolarHBondContact ND2-OG 2.83Å
183	I	96	Very high	94.7	Very high	12 Å²	12	27.7 Å²	27.7	6%	0.062	14%	0.139	C	C	.	.			trans	-85.7	117.5	-178.1	-57.6	175.9	0	0	0	109.3	I126 V162 L178 F181	I126-I183 HydrophobicContact CG1-CD1 4.13Å; V162-I183 HydrophobicContact CG2-CG2 4.06Å; L178-I183 HydrophobicContact CB-CB 4.26Å; L178-I183 HydrophobicContact CD2-CB 4.25Å; L178-I183 HydrophobicContact CD2-CD1 4.18Å; L178-I183 HydrophobicContact CD2-CG2 4.26Å; L178-I183 PolarHBondContact O-N 3.3Å; F181-I183 HydrophobicContact CB-CD1 4.09Å; F181-I183 HydrophobicContact CB-CG1 4.08Å; F181-I183 PolarHBondContact O-N 3.47Å
184	P	97.3	Very high	94.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.			trans	-68.6	141.3	175.3	27.5	-33.8	0	0	0	112.2	A160 G161 V162 N182 Y203 L453 L457	A160-P184 WeakPolarHBondContact O-CD 3.35Å; G161-P184 CarbonylContact C-O 3.6Å; G161-P184 VanDerWaalsContact CA-O 3.25Å; G161-P184 WeakPolarHBondContact CA-O 3.38Å; V162-P184 PolarHBondContact N-O 3.21Å; N182-P184 WeakPolarHBondContact O-CD 3.3Å; P184-Y203 WeakPolarHBondContact CA-O 3.39Å; P184-L453 HydrophobicContact CG-CD2 3.97Å; P184-L453 HydrophobicContact CG-CG 4.24Å; P184-L457 HydrophobicContact CB-CD1 3.84Å; P184-L457 HydrophobicContact CG-CD1 4.07Å
185	Q	97.8	Very high	94.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	127.5	179	-171.7	-173.7	-32.4	0	0	110	V162 G164 L178 Y203 F204 L205	V162-Q185 CarbonylContact O-C 3.5Å; V162-Q185 VanDerWaalsContact O-CA 3.31Å; V162-Q185 WeakPolarHBondContact O-CA 3.01Å; G164-Q185 WeakPolarHBondContact O-CG 3.31Å; G164-Q185 PolarHBondContact O-NE2 3.2Å; L178-Q185 HydrophobicContact CD1-CB 4Å; L178-Q185 HydrophobicContact CD1-CG 4.13Å; Q185-Y203 PolarHBondContact N-O 3.11Å; Q185-F204 HydrophobicContact CG-CD2 4.47Å; Q185-L205 PolarHBondContact O-N 3.4Å
186	I	98.3	Very high	94.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	112.8	174.3	-50.7	-178.3	0	0	0	109.6	V162 I163 G164 L205 V207 A419 A422 M423 L457	V162-I186 PolarHBondContact O-N 3.26Å; I163-I186 WeakPolarHBondContact CA-O 3.47Å; G164-I186 PolarHBondContact N-O 3.01Å; I186-L205 CarbonylContact C-O 3.55Å; I186-L205 WeakPolarHBondContact CA-O 3.41Å; I186-L205 HydrophobicContact CG1-CD1 4.42Å; I186-V207 HydrophobicContact CG2-CG1 4.09Å; I186-A419 HydrophobicContact CG2-CB 3.87Å; I186-A422 HydrophobicContact CD1-CB 4.11Å; I186-M423 HydrophobicContact CD1-CB 4.23Å; I186-M423 HydrophobicContact CD1-CE 3.68Å; I186-M423 HydrophobicContact CD1-SD 4.35Å; I186-M423 HydrophobicContact CG1-CE 3.88Å; I186-L457 HydrophobicContact CD1-CD1 4.32Å; I186-L457 HydrophobicContact CD1-CD2 3.88Å
187	A	97.2	Very high	94.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	149.9	177.4	0	0	0	0	0	113.2	A190 F204 L205 R206 V207	A187-A190 HydrophobicContact CB-CB 3.73Å; A187-F204 HydrophobicContact CB-CE2 3.64Å; A187-F204 HydrophobicContact CB-CZ 3.55Å; A187-L205 PolarHBondContact N-O 2.9Å; A187-R206 HydrophobicContact CB-CB 4.21Å; A187-R206 VanDerWaalsContact O-CA 3.28Å; A187-R206 WeakPolarHBondContact O-CA 3.41Å; A187-R206 WeakPolarHBondContact O-CB 3.22Å; A187-V207 PolarHBondContact O-N 3.27Å
188	Y	93.9	Very high	94.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-114.1	-3.2	-179	57.5	-103.4	0	0	0	113.7	L53 F54 I163 G166 V208 V416	L53-Y188 PolarHBondContact O-OH 3.24Å; F54-Y188 AromaticContact CD1-CE1 3.85Å; F54-Y188 HydrophobicContact CD1-CE1 3.85Å; F54-Y188 AromaticContact CD1-CZ 3.95Å; F54-Y188 HydrophobicContact CE1-CD1 4.4Å; F54-Y188 AromaticContact CE1-CE1 3.71Å; F54-Y188 HydrophobicContact CE1-CE1 3.71Å; I163-Y188 HydrophobicContact CG2-CD1 3.95Å; I163-Y188 HydrophobicContact CG2-CE1 4.37Å; G166-Y188 PolarHBondContact N-OH 3.47Å; Y188-V208 VanDerWaalsContact O-CG1 3.29Å; Y188-V208 WeakPolarHBondContact O-CG1 3.34Å; Y188-V416 HydrophobicContact CD1-CG2 4.21Å; Y188-V416 HydrophobicContact CD2-CG2 3.82Å; Y188-V416 HydrophobicContact CE2-CG2 4.35Å; Y188-V416 HydrophobicContact CG-CG2 3.78Å
189	S	91.1	Very high	94.3	Very high	11 Å²	11	33 Å²	33	8%	0.077	18%	0.175	C	C	.	.	S	Bend	trans	-154.6	7.7	-179.9	-69.2	0	0	0	0	114.7	G166 T191 K412	G166-S189 VanDerWaalsContact O-CB 3.25Å; G166-S189 WeakPolarHBondContact O-CB 3.47Å; S189-T191 PolarHBondContact O-N 2.7Å; S189-K412 VanDerWaalsContact OG-CD 3.26Å; S189-K412 WeakPolarHBondContact OG-CD 3.34Å
190	A	92.5	Very high	94.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.			trans	-93.7	85.2	-177.5	0	0	0	0	0	110.4	S168 A171 A187 L195 F204 R206	S168-A190 WeakPolarHBondContact OG-CA 3.31Å; A171-A190 HydrophobicContact CB-CB 3.83Å; A187-A190 HydrophobicContact CB-CB 3.73Å; A190-L195 HydrophobicContact CB-CD1 3.92Å; A190-F204 HydrophobicContact CB-CE2 4.47Å; A190-F204 HydrophobicContact CB-CZ 4.06Å; A190-R206 WeakPolarHBondContact O-CD 3.38Å; A190-R206 PolarHBondContact O-NH1 3.29Å
191	T	92.9	Very high	94.4	Very high	4 Å²	4	30.7 Å²	30.7	3%	0.025	16%	0.163	C	C	.	.			trans	-91.1	-5.9	-167.5	55.2	0	0	0	0	115	S168 S189 I193 R206 V208 P209 S210 D211	S168-T191 PolarHBondContact OG-N 3Å; S189-T191 PolarHBondContact O-N 2.7Å; T191-I193 PolarHBondContact O-N 3.23Å; T191-R206 PolarHBondContact O-NH1 2.9Å; T191-R206 VanDerWaalsContact O-NH1 3.1Å; T191-V208 HydrophobicContact CG2-CB 4.38Å; T191-V208 HydrophobicContact CG2-CG2 3.93Å; T191-P209 WeakPolarHBondContact CG2-O 3.35Å; T191-S210 CarbonylContact O-C 3.59Å; T191-S210 WeakPolarHBondContact O-CA 3.48Å; T191-D211 VanDerWaalsContact C-CG 3.49Å; T191-D211 WeakPolarHBondContact CB-OD1 3.36Å; T191-D211 VanDerWaalsContact O-CG 3.23Å; T191-D211 PolarHBondContact O-N 3.02Å; T191-D211 VanDerWaalsContact OG1-CG 3.27Å; T191-D211 PolarHBondContact OG1-OD1 3.45Å; T191-D211 PolarHBondContact OG1-OD2 3.36Å
192	S	92.6	Very high	94.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.			trans	-53.8	136.4	-178.2	172.5	0	0	0	0	113.1	S168 D194 L195 R206 D211 N238	S168-S192 VanDerWaalsContact CB-CB 3.45Å; S168-S192 PolarHBondContact OG-N 3.17Å; S192-D194 PolarHBondContact O-N 3.05Å; S192-L195 PolarHBondContact O-N 3.44Å; S192-R206 PolarHBondContact O-NH1 3.47Å; S192-D211 WeakPolarHBondContact CA-OD2 3.23Å; S192-D211 PolarHBondContact N-OD2 3.35Å; S192-N238 WeakPolarHBondContact CB-O 3.12Å; S192-N238 PolarHBondContact OG-O 2.85Å
193	I	92.6	Very high	94.8	Very high	42 Å²	42	28.4 Å²	28.4	22%	0.215	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-60.1	-35.4	-176.9	-49.8	-178.9	0	0	0	111.6	T191 L195 S196 D211 T212 A246	T191-I193 PolarHBondContact O-N 3.23Å; I193-L195 PolarHBondContact O-N 3.09Å; I193-L195 VanDerWaalsContact O-N 3.08Å; I193-S196 VanDerWaalsContact O-CB 3.26Å; I193-S196 WeakPolarHBondContact O-CB 3.41Å; I193-S196 PolarHBondContact O-N 3.45Å; I193-S196 PolarHBondContact O-OG 3.32Å; I193-D211 HydrophobicContact CG1-CB 4Å; I193-T212 WeakPolarHBondContact CD1-OG1 3.5Å; I193-T212 WeakPolarHBondContact CG1-OG1 3.44Å; I193-A246 HydrophobicContact CD1-CB 3.48Å; I193-A246 VanDerWaalsContact CD1-CB 3.48Å
194	D	91.3	Very high	94.9	Very high	51 Å²	51	27.9 Å²	27.9	27%	0.273	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-53.9	-33.5	-178.7	-53.8	17.4	0	0	0	112.8	I172 S192 S196 D197 F201 N238 S242	I172-D194 HydrophobicContact CD1-CB 4.49Å; S192-D194 PolarHBondContact O-N 3.05Å; D194-S196 VanDerWaalsContact C-N 3.25Å; D194-S196 PolarHBondContact O-N 3.33Å; D194-D197 PolarHBondContact O-N 2.86Å; D194-F201 VanDerWaalsContact O-CD2 3.26Å; D194-F201 WeakPolarHBondContact O-CD2 3.38Å; D194-F201 VanDerWaalsContact O-CE2 3.31Å; D194-F201 WeakPolarHBondContact O-CE2 3.49Å; D194-N238 WeakPolarHBondContact OD2-CB 3.21Å; D194-N238 PolarHBondContact OD2-ND2 3.5Å; D194-S242 VanDerWaalsContact OD1-CB 3.23Å; D194-S242 WeakPolarHBondContact OD1-CB 3.44Å; D194-S242 PolarHBondContact OD1-OG 3.42Å
195	L	94.6	Very high	94.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-73.9	-13	-178	-73.2	162.4	0	0	0	113.8	A171 I172 A190 S192 I193 D197 K198 F201 F204	A171-L195 HydrophobicContact CB-CD1 4.47Å; I172-L195 HydrophobicContact CD1-CG 4.46Å; I172-L195 HydrophobicContact CG1-CD1 4.27Å; I172-L195 HydrophobicContact CG1-CD2 3.6Å; I172-L195 HydrophobicContact CG1-CG 3.87Å; A190-L195 HydrophobicContact CB-CD1 3.92Å; S192-L195 PolarHBondContact O-N 3.44Å; I193-L195 PolarHBondContact O-N 3.09Å; I193-L195 VanDerWaalsContact O-N 3.08Å; L195-D197 VanDerWaalsContact C-N 3.29Å; L195-K198 PolarHBondContact O-NZ 3.41Å; L195-F201 HydrophobicContact CD2-CD2 4.32Å; L195-F201 HydrophobicContact CD2-CG 4.35Å; L195-F204 HydrophobicContact CB-CD1 3.88Å; L195-F204 HydrophobicContact CB-CE1 3.63Å; L195-F204 HydrophobicContact CB-CZ 4.12Å; L195-F204 HydrophobicContact CD1-CE1 4.16Å; L195-F204 HydrophobicContact CD1-CE2 4.18Å; L195-F204 HydrophobicContact CD1-CZ 3.76Å; L195-F204 HydrophobicContact CD2-CD1 4.18Å; L195-F204 HydrophobicContact CD2-CD2 3.97Å; L195-F204 HydrophobicContact CD2-CE1 4.23Å; L195-F204 HydrophobicContact CD2-CE2 4Å; L195-F204 HydrophobicContact CD2-CG 4.05Å; L195-F204 HydrophobicContact CD2-CZ 4.13Å; L195-F204 HydrophobicContact CG-CE1 4.22Å; L195-F204 HydrophobicContact CG-CZ 4.23Å
196	S	94.5	Very high	94.8	Very high	18 Å²	18	27.9 Å²	27.9	13%	0.126	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-69.1	-26.4	172	-56.5	0	0	0	0	111.9	I193 D194 K198 R206 D477	I193-S196 VanDerWaalsContact O-CB 3.26Å; I193-S196 WeakPolarHBondContact O-CB 3.41Å; I193-S196 PolarHBondContact O-N 3.45Å; I193-S196 PolarHBondContact O-OG 3.32Å; D194-S196 VanDerWaalsContact C-N 3.25Å; D194-S196 PolarHBondContact O-N 3.33Å; S196-K198 PolarHBondContact O-N 3.48Å; S196-R206 PolarHBondContact OG-NH2 3.21Å; S196-D477 PolarHBondContact OG-OD2 3.21Å
197	D	94.9	Very high	94.7	Very high	61 Å²	61	27.9 Å²	27.9	33%	0.326	15%	0.147	S	C	.	.			trans	-68.9	97	-178.2	-176.2	-5.9	0	0	0	112.1	D194 L195 T199 L200 F201	D194-D197 PolarHBondContact O-N 2.86Å; L195-D197 VanDerWaalsContact C-N 3.29Å; D197-T199 PolarHBondContact O-N 2.82Å; D197-T199 WeakPolarHBondContact OD1-CA 3.24Å; D197-T199 VanDerWaalsContact OD1-CB 3.25Å; D197-T199 WeakPolarHBondContact OD1-CB 3.05Å; D197-T199 WeakPolarHBondContact OD1-CG2 3.37Å; D197-T199 PolarHBondContact OD1-N 2.74Å; D197-T199 PolarHBondContact OD1-OG1 3.17Å; D197-T199 PolarHBondContact OD2-OG1 2.72Å; D197-L200 PolarHBondContact O-N 3Å; D197-L200 PolarHBondContact OD1-N 2.85Å; D197-L200 WeakPolarHBondContact OD2-CD1 3.47Å; D197-L200 WeakPolarHBondContact OD2-CG 3.28Å; D197-F201 PolarHBondContact O-N 3.4Å
198	K	94.1	Very high	94.5	Very high	42 Å²	42	27.9 Å²	27.9	18%	0.183	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-8.1	177.6	-67.5	-70.7	168.3	-78.3	0	114.5	L195 S196 K202 F204 N475	L195-K198 PolarHBondContact O-NZ 3.41Å; S196-K198 PolarHBondContact O-N 3.48Å; K198-K202 WeakPolarHBondContact O-CA 3.43Å; K198-F204 WeakPolarHBondContact CE-O 3.49Å; K198-F204 PolarHBondContact NZ-O 2.96Å; K198-N475 VanDerWaalsContact CE-C 3.45Å; K198-N475 WeakPolarHBondContact CE-O 3.48Å; K198-N475 PolarHBondContact NZ-O 3.19Å
199	T	94.4	Very high	94.4	Very high	125 Å²	125	28.2 Å²	28.2	77%	0.767	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-31.1	169.8	78.6	0	0	0	0	111.6	D197	D197-T199 PolarHBondContact O-N 2.82Å; D197-T199 WeakPolarHBondContact OD1-CA 3.24Å; D197-T199 VanDerWaalsContact OD1-CB 3.25Å; D197-T199 WeakPolarHBondContact OD1-CB 3.05Å; D197-T199 WeakPolarHBondContact OD1-CG2 3.37Å; D197-T199 PolarHBondContact OD1-N 2.74Å; D197-T199 PolarHBondContact OD1-OG1 3.17Å; D197-T199 PolarHBondContact OD2-OG1 2.72Å
200	L	94.6	Very high	94.5	Very high	102 Å²	102	28.1 Å²	28.1	53%	0.534	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-39	176.5	-64.5	178.4	0	0	0	113.1	Q179 D197	Q179-L200 PolarHBondContact NE2-O 2.97Å; Q179-L200 PolarHBondContact OE1-O 3Å; D197-L200 PolarHBondContact O-N 3Å; D197-L200 PolarHBondContact OD1-N 2.85Å; D197-L200 WeakPolarHBondContact OD2-CD1 3.47Å; D197-L200 WeakPolarHBondContact OD2-CG 3.28Å
201	F	96.3	Very high	94.5	Very high	17 Å²	17	28.1 Å²	28.1	8%	0.075	15%	0.148	C	C	.	.			trans	-120.8	46.9	-169.7	-56.8	-59.9	0	0	0	112.9	I172 Q175 D194 L195 D197 Y203 F204	I172-F201 HydrophobicContact CG1-CZ 4.28Å; I172-F201 HydrophobicContact CG2-CE1 4.03Å; I172-F201 HydrophobicContact CG2-CZ 3.88Å; Q175-F201 HydrophobicContact CB-CD1 4.42Å; Q175-F201 HydrophobicContact CG-CB 4.12Å; Q175-F201 HydrophobicContact CG-CD1 3.65Å; Q175-F201 HydrophobicContact CG-CG 4.29Å; D194-F201 VanDerWaalsContact O-CD2 3.26Å; D194-F201 WeakPolarHBondContact O-CD2 3.38Å; D194-F201 VanDerWaalsContact O-CE2 3.31Å; D194-F201 WeakPolarHBondContact O-CE2 3.49Å; L195-F201 HydrophobicContact CD2-CD2 4.32Å; L195-F201 HydrophobicContact CD2-CG 4.35Å; D197-F201 PolarHBondContact O-N 3.4Å; F201-Y203 PolarHBondContact O-N 3.45Å; F201-F204 HydrophobicContact CB-CB 4.13Å; F201-F204 WeakPolarHBondContact O-CB 3.18Å; F201-F204 PolarHBondContact O-N 3.19Å
202	K	96.3	Very high	94.4	Very high	99 Å²	99	30.5 Å²	30.5	43%	0.43	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.6	-42.1	-173.6	-168.1	-161.3	173	-161.4	0	114.6	K198 L454	K198-K202 WeakPolarHBondContact O-CA 3.43Å; K202-L454 HydrophobicContact CD-CD2 4.28Å; K202-L454 HydrophobicContact CG-CD2 4.09Å; K202-L454 WeakPolarHBondContact O-CD2 3.17Å
203	Y	97.1	Very high	94.4	Very high	13 Å²	13	33.3 Å²	33.3	5%	0.051	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	5.1	-173.6	-73.5	-83	0	0	0	114.9	Q179 N182 P184 Q185 F201 L454	Q179-Y203 HydrophobicContact CB-CD2 3.76Å; Q179-Y203 HydrophobicContact CB-CG 4.48Å; N182-Y203 HydrophobicContact CB-CE1 4.03Å; N182-Y203 HydrophobicContact CB-CE2 4.34Å; N182-Y203 WeakPolarHBondContact CB-OH 3.4Å; N182-Y203 WeakPolarHBondContact O-CE1 3.45Å; N182-Y203 WeakPolarHBondContact OD1-CE2 3.47Å; N182-Y203 PolarHBondContact OD1-OH 3.11Å; P184-Y203 WeakPolarHBondContact CA-O 3.39Å; Q185-Y203 PolarHBondContact N-O 3.11Å; F201-Y203 PolarHBondContact O-N 3.45Å; Y203-L454 HydrophobicContact CD1-CB 4.25Å; Y203-L454 HydrophobicContact CD1-CD2 3.76Å; Y203-L454 HydrophobicContact CD1-CG 4.47Å; Y203-L454 HydrophobicContact CE1-CB 4.25Å; Y203-L454 HydrophobicContact CE1-CD2 3.86Å; Y203-L454 HydrophobicContact CG-CD2 4.31Å
204	F	97.9	Very high	94.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	128.3	-179.4	-178.5	-89.4	0	0	0	112	A171 Q175 Q185 A187 A190 L195 K198 F201 R206	A171-F204 HydrophobicContact CB-CE2 4.27Å; Q175-F204 HydrophobicContact CG-CB 4.05Å; Q185-F204 HydrophobicContact CG-CD2 4.47Å; A187-F204 HydrophobicContact CB-CE2 3.64Å; A187-F204 HydrophobicContact CB-CZ 3.55Å; A190-F204 HydrophobicContact CB-CE2 4.47Å; A190-F204 HydrophobicContact CB-CZ 4.06Å; L195-F204 HydrophobicContact CB-CD1 3.88Å; L195-F204 HydrophobicContact CB-CE1 3.63Å; L195-F204 HydrophobicContact CB-CZ 4.12Å; L195-F204 HydrophobicContact CD1-CE1 4.16Å; L195-F204 HydrophobicContact CD1-CE2 4.18Å; L195-F204 HydrophobicContact CD1-CZ 3.76Å; L195-F204 HydrophobicContact CD2-CD1 4.18Å; L195-F204 HydrophobicContact CD2-CD2 3.97Å; L195-F204 HydrophobicContact CD2-CE1 4.23Å; L195-F204 HydrophobicContact CD2-CE2 4Å; L195-F204 HydrophobicContact CD2-CG 4.05Å; L195-F204 HydrophobicContact CD2-CZ 4.13Å; L195-F204 HydrophobicContact CG-CE1 4.22Å; L195-F204 HydrophobicContact CG-CZ 4.23Å; K198-F204 WeakPolarHBondContact CE-O 3.49Å; K198-F204 PolarHBondContact NZ-O 2.96Å; F201-F204 HydrophobicContact CB-CB 4.13Å; F201-F204 WeakPolarHBondContact O-CB 3.18Å; F201-F204 PolarHBondContact O-N 3.19Å; F204-R206 HydrophobicContact CE1-CB 4.01Å; F204-R206 HydrophobicContact CE1-CG 3.99Å; F204-R206 HydrophobicContact CZ-CB 4.17Å
205	L	97.6	Very high	94.7	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	163.5	167.8	-49.4	91.1	0	0	0	109.9	Q185 I186 A187 L454 L457 L458 F472 G476	Q185-L205 PolarHBondContact O-N 3.4Å; I186-L205 CarbonylContact C-O 3.55Å; I186-L205 WeakPolarHBondContact CA-O 3.41Å; I186-L205 HydrophobicContact CG1-CD1 4.42Å; A187-L205 PolarHBondContact N-O 2.9Å; L205-L454 HydrophobicContact CD1-CD1 3.8Å; L205-L454 HydrophobicContact CG-CD1 4.4Å; L205-L457 HydrophobicContact CD1-CD1 4.31Å; L205-L457 HydrophobicContact CD2-CB 3.96Å; L205-L458 HydrophobicContact CD2-CD2 3.74Å; L205-L458 HydrophobicContact CD2-CG 4.09Å; L205-L458 HydrophobicContact CG-CD2 4.42Å; L205-F472 HydrophobicContact CB-CD1 4.23Å; L205-F472 HydrophobicContact CB-CE1 3.96Å; L205-F472 HydrophobicContact CB-CZ 4.4Å; L205-F472 HydrophobicContact CD2-CD1 4.19Å; L205-F472 HydrophobicContact CD2-CD2 4.01Å; L205-F472 HydrophobicContact CD2-CE1 4.27Å; L205-F472 HydrophobicContact CD2-CE2 4.1Å; L205-F472 HydrophobicContact CD2-CG 4.05Å; L205-F472 HydrophobicContact CD2-CZ 4.22Å; L205-G476 WeakPolarHBondContact CA-O 3.24Å
206	R	96.4	Very high	94.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	140.8	172.1	54.3	178.1	170.2	-151.5	-5.1	113.2	A187 A190 T191 S192 S196 F204 V208 S210 F472 G476 D477	A187-R206 HydrophobicContact CB-CB 4.21Å; A187-R206 VanDerWaalsContact O-CA 3.28Å; A187-R206 WeakPolarHBondContact O-CA 3.41Å; A187-R206 WeakPolarHBondContact O-CB 3.22Å; A190-R206 WeakPolarHBondContact O-CD 3.38Å; A190-R206 PolarHBondContact O-NH1 3.29Å; T191-R206 PolarHBondContact O-NH1 2.9Å; T191-R206 VanDerWaalsContact O-NH1 3.1Å; S192-R206 PolarHBondContact O-NH1 3.47Å; S196-R206 PolarHBondContact OG-NH2 3.21Å; F204-R206 HydrophobicContact CE1-CB 4.01Å; F204-R206 HydrophobicContact CE1-CG 3.99Å; F204-R206 HydrophobicContact CZ-CB 4.17Å; R206-V208 HydrophobicContact CB-CG2 4.16Å; R206-V208 VanDerWaalsContact CD-O 3.27Å; R206-V208 WeakPolarHBondContact CD-O 3.42Å; R206-V208 VanDerWaalsContact CG-O 3.3Å; R206-V208 WeakPolarHBondContact CG-O 3.13Å; R206-V208 PolarHBondContact O-N 2.99Å; R206-S210 VanDerWaalsContact NH2-CB 3.33Å; R206-S210 PolarHBondContact NH2-OG 3.18Å; R206-F472 WeakPolarHBondContact O-CE1 3.47Å; R206-G476 PolarHBondContact N-O 2.71Å; R206-D477 WeakPolarHBondContact CG-OD1 3.25Å; R206-D477 IonicContact CZ-OD1 2.71Å; R206-D477 VanDerWaalsContact CZ-OD1 3.28Å; R206-D477 IonicContact CZ-OD2 3.84Å; R206-D477 IonicContact NE-OD1 4Å; R206-D477 PolarHBondContact NE-OD1 3.29Å; R206-D477 IonicContact NE-OD2 3.21Å; R206-D477 VanDerWaalsContact NH2-CG 3.31Å; R206-D477 IonicContact NH2-OD1 3.13Å; R206-D477 PolarHBondContact NH2-OD1 2.81Å; R206-D477 VanDerWaalsContact NH2-OD1 3.12Å; R206-D477 IonicContact NH2-OD2 2.72Å; R206-D477 PolarHBondContact NH2-OD2 2.7Å
207	V	95	Very high	94.7	Very high	1 Å²	1	31 Å²	31	1%	0.006	16%	0.16	C	C	.	.	S	Bend	trans	-91.6	28.9	174.5	-62.2	0	0	0	0	112.4	I186 A187 F415 N418 A419 A422 I470 F472 T478	I186-V207 HydrophobicContact CG2-CG1 4.09Å; A187-V207 PolarHBondContact O-N 3.27Å; V207-F415 HydrophobicContact CG2-CB 4.31Å; V207-F415 WeakPolarHBondContact CG2-O 3.35Å; V207-F415 WeakPolarHBondContact O-CD1 2.99Å; V207-N418 HydrophobicContact CB-CB 4.46Å; V207-N418 HydrophobicContact CG2-CB 4.36Å; V207-A419 HydrophobicContact CG2-CB 3.77Å; V207-A422 HydrophobicContact CG1-CB 4.26Å; V207-I470 HydrophobicContact CG1-CG2 4.29Å; V207-F472 HydrophobicContact CG1-CE1 3.9Å; V207-F472 HydrophobicContact CG1-CZ 3.84Å; V207-T478 VanDerWaalsContact C-OG1 3.27Å; V207-T478 HydrophobicContact CB-CG2 4.4Å
208	V	93	Very high	94.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-138.9	146.1	174	-71.4	0	0	0	0	109	Y188 T191 R206 L345 F415 T478	Y188-V208 VanDerWaalsContact O-CG1 3.29Å; Y188-V208 WeakPolarHBondContact O-CG1 3.34Å; T191-V208 HydrophobicContact CG2-CB 4.38Å; T191-V208 HydrophobicContact CG2-CG2 3.93Å; R206-V208 HydrophobicContact CB-CG2 4.16Å; R206-V208 VanDerWaalsContact CD-O 3.27Å; R206-V208 WeakPolarHBondContact CD-O 3.42Å; R206-V208 VanDerWaalsContact CG-O 3.3Å; R206-V208 WeakPolarHBondContact CG-O 3.13Å; R206-V208 PolarHBondContact O-N 2.99Å; V208-L345 HydrophobicContact CB-CD1 4.25Å; V208-L345 HydrophobicContact CG1-CD1 3.93Å; V208-F415 HydrophobicContact CG1-CB 3.9Å; V208-F415 HydrophobicContact CG1-CD1 3.67Å; V208-F415 HydrophobicContact CG1-CD2 3.93Å; V208-F415 HydrophobicContact CG1-CE1 4.18Å; V208-F415 HydrophobicContact CG1-CE2 4.42Å; V208-F415 HydrophobicContact CG1-CG 3.53Å; V208-T478 WeakPolarHBondContact CA-OG1 3.15Å; V208-T478 PolarHBondContact N-OG1 2.82Å; V208-T478 VanDerWaalsContact N-OG1 3.12Å
209	P	92.9	Very high	94.8	Very high	6 Å²	6	26.2 Å²	26.2	4%	0.039	14%	0.136	C	C	.	.			trans	-65.8	159.4	179.6	28.8	-38.3	0	0	0	113.6	T191 L213 L345 T478 Y482	T191-P209 WeakPolarHBondContact CG2-O 3.35Å; P209-L213 HydrophobicContact CB-CD1 4.02Å; P209-L345 HydrophobicContact CG-CD2 3.5Å; P209-T478 WeakPolarHBondContact CA-O 3.4Å; P209-Y482 HydrophobicContact CG-CE1 4.31Å; P209-Y482 WeakPolarHBondContact CG-OH 3.35Å
210	S	93.3	Very high	94.9	Very high	9 Å²	9	21.2 Å²	21.2	6%	0.063	11%	0.105	C	C	.	.			trans	-69.5	147.5	171.6	-170.9	0	0	0	0	112.7	T191 R206 T212 L213	T191-S210 CarbonylContact O-C 3.59Å; T191-S210 WeakPolarHBondContact O-CA 3.48Å; R206-S210 VanDerWaalsContact NH2-CB 3.33Å; R206-S210 PolarHBondContact NH2-OG 3.18Å; S210-T212 PolarHBondContact O-N 3.49Å; S210-T212 PolarHBondContact OG-OG1 2.92Å; S210-L213 PolarHBondContact O-N 3.43Å
211	D	92.1	Very high	94.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-57.2	-17.9	173.7	-67.9	-33.6	0	0	0	112.6	T191 S192 I193 L213 Q214 A215 Y239 F293	T191-D211 VanDerWaalsContact C-CG 3.49Å; T191-D211 WeakPolarHBondContact CB-OD1 3.36Å; T191-D211 VanDerWaalsContact O-CG 3.23Å; T191-D211 PolarHBondContact O-N 3.02Å; T191-D211 VanDerWaalsContact OG1-CG 3.27Å; T191-D211 PolarHBondContact OG1-OD1 3.45Å; T191-D211 PolarHBondContact OG1-OD2 3.36Å; S192-D211 WeakPolarHBondContact CA-OD2 3.23Å; S192-D211 PolarHBondContact N-OD2 3.35Å; I193-D211 HydrophobicContact CG1-CB 4Å; D211-L213 VanDerWaalsContact C-N 3.29Å; D211-L213 PolarHBondContact O-N 3.34Å; D211-Q214 CarbonylContact O-C 3.58Å; D211-Q214 WeakPolarHBondContact O-CB 3.42Å; D211-Q214 PolarHBondContact O-N 3.17Å; D211-Q214 VanDerWaalsContact O-N 3.16Å; D211-A215 WeakPolarHBondContact O-CB 3.31Å; D211-A215 PolarHBondContact O-N 3.4Å; D211-Y239 VanDerWaalsContact OD2-CD2 3.3Å; D211-Y239 WeakPolarHBondContact OD2-CD2 3.14Å; D211-F293 HydrophobicContact CB-CE1 4.29Å
212	T	91.9	Very high	94.8	Very high	54 Å²	54	15.6 Å²	15.6	33%	0.331	8%	0.076	S	C	.	.	H	α-helix	trans	-56.3	-42	171.2	-43.4	0	0	0	0	112.3	I193 S210 A215 R216	I193-T212 WeakPolarHBondContact CD1-OG1 3.5Å; I193-T212 WeakPolarHBondContact CG1-OG1 3.44Å; S210-T212 PolarHBondContact O-N 3.49Å; S210-T212 PolarHBondContact OG-OG1 2.92Å; T212-A215 PolarHBondContact O-N 2.67Å; T212-R216 PolarHBondContact O-N 2.87Å; T212-R216 VanDerWaalsContact O-N 3.11Å
213	L	92.3	Very high	94.7	Very high	60 Å²	60	15.7 Å²	15.7	31%	0.314	8%	0.076	S	C	.	.	H	α-helix	trans	-73.4	-33.7	178.1	-58.5	-174.7	0	0	0	111	P209 S210 D211 R216 A217 Y482 W503	P209-L213 HydrophobicContact CB-CD1 4.02Å; S210-L213 PolarHBondContact O-N 3.43Å; D211-L213 VanDerWaalsContact C-N 3.29Å; D211-L213 PolarHBondContact O-N 3.34Å; L213-R216 PolarHBondContact O-N 3.15Å; L213-A217 WeakPolarHBondContact O-CB 3.5Å; L213-A217 PolarHBondContact O-N 3.18Å; L213-Y482 HydrophobicContact CB-CE2 4.13Å; L213-W503 HydrophobicContact CB-CH2 4.14Å; L213-W503 HydrophobicContact CB-CZ3 4.27Å; L213-W503 HydrophobicContact CD2-CH2 4.34Å
214	Q	93.3	Very high	94.4	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-63.9	-44.4	173.4	-159.5	-176.7	70.2	0	0	111.1	D211 R216 A217 M218 F293 D321 M343 Y482	D211-Q214 CarbonylContact O-C 3.58Å; D211-Q214 WeakPolarHBondContact O-CB 3.42Å; D211-Q214 PolarHBondContact O-N 3.17Å; D211-Q214 VanDerWaalsContact O-N 3.16Å; Q214-R216 VanDerWaalsContact C-N 3.35Å; Q214-R216 PolarHBondContact O-N 3.22Å; Q214-A217 PolarHBondContact O-N 2.9Å; Q214-M218 WeakPolarHBondContact O-CG 3.29Å; Q214-M218 PolarHBondContact O-N 3.41Å; Q214-F293 HydrophobicContact CB-CZ 4.37Å; Q214-F293 HydrophobicContact CG-CZ 4.45Å; Q214-D321 VanDerWaalsContact NE2-CG 3.32Å; Q214-D321 PolarHBondContact NE2-OD1 2.96Å; Q214-M343 HydrophobicContact CB-SD 4.45Å; Q214-M343 HydrophobicContact CG-CG 4.13Å; Q214-M343 HydrophobicContact CG-SD 3.36Å; Q214-M343 WeakPolarHBondContact CG-SD 3.24Å; Q214-Y482 HydrophobicContact CB-CE1 4.32Å; Q214-Y482 HydrophobicContact CG-CE1 4.21Å; Q214-Y482 PolarHBondContact N-OH 3.1Å
215	A	95.3	Very high	94.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63	-39.6	176.8	0	0	0	0	0	112	D211 T212 M218 L219 A246 F247 L250 F293	D211-A215 WeakPolarHBondContact O-CB 3.31Å; D211-A215 PolarHBondContact O-N 3.4Å; T212-A215 PolarHBondContact O-N 2.67Å; A215-M218 PolarHBondContact O-N 2.69Å; A215-L219 PolarHBondContact O-N 3.48Å; A215-A246 HydrophobicContact CB-CB 4.1Å; A215-F247 HydrophobicContact CB-CB 4.16Å; A215-L250 HydrophobicContact CB-CD1 4.28Å; A215-F293 HydrophobicContact CB-CE2 4.04Å; A215-F293 HydrophobicContact CB-CZ 3.82Å
216	R	95	Very high	93.8	Very high	62 Å²	62	25.3 Å²	25.3	23%	0.234	13%	0.128	C	C	.	.	H	α-helix	trans	-63	-48.4	172.3	-174.2	68.1	-138.1	-173.1	4.5	111.5	T212 L213 Q214 M218 L219 D220 L250 E254 W503	T212-R216 PolarHBondContact O-N 2.87Å; T212-R216 VanDerWaalsContact O-N 3.11Å; L213-R216 PolarHBondContact O-N 3.15Å; Q214-R216 VanDerWaalsContact C-N 3.35Å; Q214-R216 PolarHBondContact O-N 3.22Å; R216-M218 VanDerWaalsContact C-N 3.32Å; R216-M218 PolarHBondContact O-N 3.4Å; R216-L219 PolarHBondContact O-N 2.87Å; R216-L219 VanDerWaalsContact O-N 3.1Å; R216-D220 IonicContact CZ-OD1 3.94Å; R216-D220 VanDerWaalsContact CZ-OD1 3.23Å; R216-D220 IonicContact NE-OD1 3.19Å; R216-D220 PolarHBondContact NE-OD1 3.47Å; R216-D220 IonicContact NE-OD2 3.31Å; R216-D220 IonicContact NH2-OD1 2.68Å; R216-D220 PolarHBondContact NH2-OD1 3.3Å; R216-D220 VanDerWaalsContact O-CG 3.24Å; R216-D220 PolarHBondContact O-N 3.15Å; R216-L250 HydrophobicContact CB-CD1 4.22Å; R216-E254 IonicContact CZ-OE1 2.66Å; R216-E254 IonicContact NH1-OE1 2.9Å; R216-E254 PolarHBondContact NH1-OE1 2.91Å; R216-E254 IonicContact NH2-OE1 3.96Å; R216-E254 PolarHBondContact NH2-OE1 3.41Å; R216-W503 HydrophobicContact CB-CZ2 4.3Å; R216-W503 HydrophobicContact CG-CZ2 4.03Å
217	A	95	Very high	93.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.2	-40.4	176.9	0	0	0	0	0	112.6	L213 Q214 D220 I221 M343 Y482 W503	L213-A217 WeakPolarHBondContact O-CB 3.5Å; L213-A217 PolarHBondContact O-N 3.18Å; Q214-A217 PolarHBondContact O-N 2.9Å; A217-D220 PolarHBondContact O-N 3.28Å; A217-I221 WeakPolarHBondContact O-CG1 3.48Å; A217-I221 PolarHBondContact O-N 3.46Å; A217-I221 VanDerWaalsContact O-N 3.14Å; A217-M343 HydrophobicContact CB-CE 3.92Å; A217-M343 HydrophobicContact CB-SD 4.1Å; A217-Y482 HydrophobicContact CB-CD2 4.5Å; A217-W503 HydrophobicContact CB-CB 4.21Å; A217-W503 HydrophobicContact CB-CD2 3.76Å; A217-W503 HydrophobicContact CB-CE3 4.45Å; A217-W503 HydrophobicContact CB-CG 3.65Å
218	M	95.8	Very high	93.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.5	-41.1	174.8	-70	-175.5	83.6	0	0	111.6	Q214 A215 R216 I221 V222 F247 V291 F293 V318 M343	Q214-M218 WeakPolarHBondContact O-CG 3.29Å; Q214-M218 PolarHBondContact O-N 3.41Å; A215-M218 PolarHBondContact O-N 2.69Å; R216-M218 VanDerWaalsContact C-N 3.32Å; R216-M218 PolarHBondContact O-N 3.4Å; M218-I221 PolarHBondContact O-N 2.82Å; M218-V222 WeakPolarHBondContact O-CG2 3.43Å; M218-V222 PolarHBondContact O-N 3.34Å; M218-V222 VanDerWaalsContact O-N 3.16Å; M218-F247 HydrophobicContact CB-CD2 4.19Å; M218-F247 HydrophobicContact CB-CE2 4.2Å; M218-V291 HydrophobicContact CE-CG1 3.74Å; M218-F293 HydrophobicContact SD-CD2 3.88Å; M218-F293 HydrophobicContact SD-CE2 3.37Å; M218-F293 WeakPolarHBondContact SD-CE2 3.45Å; M218-F293 HydrophobicContact SD-CZ 3.79Å; M218-V318 HydrophobicContact CE-CG1 4.05Å; M218-V318 WeakPolarHBondContact CE-O 3.49Å; M218-M343 HydrophobicContact CB-CE 4.28Å; M218-M343 HydrophobicContact CG-CE 3.39Å; M218-M343 HydrophobicContact CG-SD 3.78Å
219	L	95.8	Very high	93.6	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-67.6	-38.5	176.3	-177.1	60.3	0	0	0	112.5	A215 R216 I221 V222 K223 F247 L250 A251 E254 L256	A215-L219 PolarHBondContact O-N 3.48Å; R216-L219 PolarHBondContact O-N 2.87Å; R216-L219 VanDerWaalsContact O-N 3.1Å; L219-I221 VanDerWaalsContact C-N 3.33Å; L219-I221 PolarHBondContact O-N 2.96Å; L219-V222 PolarHBondContact O-N 3.33Å; L219-K223 VanDerWaalsContact O-CB 3.23Å; L219-K223 WeakPolarHBondContact O-CB 3.45Å; L219-K223 PolarHBondContact O-N 3Å; L219-F247 HydrophobicContact CB-CD2 4.41Å; L219-F247 HydrophobicContact CB-CE2 4.04Å; L219-F247 HydrophobicContact CD1-CE2 4.33Å; L219-L250 HydrophobicContact CD2-CB 3.55Å; L219-L250 WeakPolarHBondContact CD2-O 3.42Å; L219-A251 HydrophobicContact CD1-CB 4.18Å; L219-E254 HydrophobicContact CD2-CB 4.37Å; L219-E254 HydrophobicContact CD2-CG 4.03Å; L219-L256 HydrophobicContact CD1-CD1 4.11Å
220	D	95.5	Very high	93.8	Very high	20 Å²	20	28.4 Å²	28.4	11%	0.107	14%	0.144	C	C	.	.	H	α-helix	trans	-62.9	-38.8	177.6	-65.3	-33.9	0	0	0	111.7	R216 A217 K223 L224 W503 L508	R216-D220 IonicContact CZ-OD1 3.94Å; R216-D220 VanDerWaalsContact CZ-OD1 3.23Å; R216-D220 IonicContact NE-OD1 3.19Å; R216-D220 PolarHBondContact NE-OD1 3.47Å; R216-D220 IonicContact NE-OD2 3.31Å; R216-D220 IonicContact NH2-OD1 2.68Å; R216-D220 PolarHBondContact NH2-OD1 3.3Å; R216-D220 VanDerWaalsContact O-CG 3.24Å; R216-D220 PolarHBondContact O-N 3.15Å; A217-D220 PolarHBondContact O-N 3.28Å; D220-K223 PolarHBondContact O-N 3.43Å; D220-L224 WeakPolarHBondContact O-CB 3.4Å; D220-L224 PolarHBondContact O-N 3.26Å; D220-W503 PolarHBondContact OD2-NE1 2.04Å; D220-L508 HydrophobicContact CB-CB 4.37Å; D220-L508 HydrophobicContact CB-CD2 4.1Å
221	I	94.6	Very high	94	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.2	-47.2	173	-65.6	165	0	0	0	110.9	A217 M218 L219 K223 L224 H225 W227 M343 I484 L508 I510	A217-I221 WeakPolarHBondContact O-CG1 3.48Å; A217-I221 PolarHBondContact O-N 3.46Å; A217-I221 VanDerWaalsContact O-N 3.14Å; M218-I221 PolarHBondContact O-N 2.82Å; L219-I221 VanDerWaalsContact C-N 3.33Å; L219-I221 PolarHBondContact O-N 2.96Å; I221-K223 VanDerWaalsContact C-N 3.27Å; I221-K223 PolarHBondContact O-N 2.95Å; I221-L224 PolarHBondContact O-N 3.49Å; I221-H225 PolarHBondContact O-CD2 2.93Å; I221-H225 VanDerWaalsContact O-CD2 3.26Å; I221-H225 PolarHBondContact O-N 3.34Å; I221-W227 HydrophobicContact CG2-CZ3 4.47Å; I221-M343 HydrophobicContact CD1-CE 3.58Å; I221-I484 HydrophobicContact CD1-CD1 4Å; I221-I484 HydrophobicContact CD1-CG2 4.27Å; I221-L508 HydrophobicContact CB-CD2 4.31Å; I221-L508 HydrophobicContact CG1-CD1 4Å; I221-L508 HydrophobicContact CG1-CD2 3.71Å; I221-I510 HydrophobicContact CG1-CD1 4.11Å
222	V	94.8	Very high	94.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.1	-36.1	-179.1	173.6	0	0	0	0	111.2	M218 L219 W227 V230 L256 V291	M218-V222 WeakPolarHBondContact O-CG2 3.43Å; M218-V222 PolarHBondContact O-N 3.34Å; M218-V222 VanDerWaalsContact O-N 3.16Å; L219-V222 PolarHBondContact O-N 3.33Å; V222-W227 HydrophobicContact CB-CE3 4.14Å; V222-W227 HydrophobicContact CG1-CB 3.82Å; V222-W227 HydrophobicContact CG1-CE3 4.17Å; V222-W227 HydrophobicContact CG2-CE3 3.99Å; V222-W227 HydrophobicContact CG2-CZ3 4.38Å; V222-W227 PolarHBondContact O-N 3.47Å; V222-W227 VanDerWaalsContact O-N 3.08Å; V222-V230 HydrophobicContact CG1-CG1 3.9Å; V222-L256 HydrophobicContact CG1-CD1 3.36Å; V222-V291 HydrophobicContact CG2-CG2 4.46Å
223	K	93.3	Very high	94.5	Very high	102 Å²	102	25.5 Å²	25.5	44%	0.443	13%	0.126	S	C	.	.	H	α-helix	trans	-70.2	-41.5	175.2	-178.9	170.7	172.4	172.8	0	112.7	L219 D220 I221 H225 N226 E254	L219-K223 VanDerWaalsContact O-CB 3.23Å; L219-K223 WeakPolarHBondContact O-CB 3.45Å; L219-K223 PolarHBondContact O-N 3Å; D220-K223 PolarHBondContact O-N 3.43Å; I221-K223 VanDerWaalsContact C-N 3.27Å; I221-K223 PolarHBondContact O-N 2.95Å; K223-H225 VanDerWaalsContact C-N 3.3Å; K223-H225 PolarHBondContact O-N 3.34Å; K223-N226 PolarHBondContact O-N 3.08Å; K223-N226 VanDerWaalsContact O-N 3.08Å; K223-E254 IonicContact NZ-OE1 3.29Å; K223-E254 PolarHBondContact NZ-OE1 3.23Å; K223-E254 IonicContact NZ-OE2 2.71Å; K223-E254 PolarHBondContact NZ-OE2 3.14Å
224	L	92.3	Very high	94.6	Very high	80 Å²	80	23.2 Å²	23.2	42%	0.419	11%	0.114	S	C	.	.	H	α-helix	trans	-55.5	-44.3	177.3	180	66	0	0	0	111.9	D220 I221 N226 L508 I510	D220-L224 WeakPolarHBondContact O-CB 3.4Å; D220-L224 PolarHBondContact O-N 3.26Å; I221-L224 PolarHBondContact O-N 3.49Å; L224-N226 VanDerWaalsContact C-N 3.28Å; L224-N226 PolarHBondContact O-N 3.34Å; L224-N226 PolarHBondContact O-ND2 3.3Å; L224-L508 HydrophobicContact CB-CD2 4.3Å; L224-L508 HydrophobicContact CD2-CD2 3.98Å; L224-I510 HydrophobicContact CD2-CB 4.14Å; L224-I510 HydrophobicContact CD2-CD1 4.15Å
225	H	90.2	Very high	94.6	Very high	8 Å²	8	23.4 Å²	23.4	4%	0.037	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	12.8	-179.8	-57.2	-56.6	0	0	0	114.1	I221 K223 W227 D512 M522	I221-H225 PolarHBondContact O-CD2 2.93Å; I221-H225 VanDerWaalsContact O-CD2 3.26Å; I221-H225 PolarHBondContact O-N 3.34Å; K223-H225 VanDerWaalsContact C-N 3.3Å; K223-H225 PolarHBondContact O-N 3.34Å; H225-W227 HydrophobicContact CB-CD2 3.79Å; H225-W227 HydrophobicContact CB-CE3 4.3Å; H225-W227 HydrophobicContact CB-CG 4.28Å; H225-W227 HydrophobicContact CB-CH2 4.04Å; H225-W227 HydrophobicContact CB-CZ2 3.52Å; H225-W227 HydrophobicContact CB-CZ3 4.4Å; H225-W227 AromaticContact CD2-CH2 3.49Å; H225-W227 VanDerWaalsContact CD2-CH2 3.49Å; H225-W227 WeakPolarHBondContact CD2-CH2 3.21Å; H225-W227 AromaticContact CD2-CZ2 3.78Å; H225-W227 AromaticContact CD2-CZ3 3.95Å; H225-W227 AromaticContact CG-CH2 4Å; H225-W227 AromaticContact CG-CZ2 3.8Å; H225-W227 VanDerWaalsContact O-CD1 3.25Å; H225-W227 PolarHBondContact O-N 2.73Å; H225-W227 PolarHBondContact O-NE1 3.35Å; H225-D512 IonicContact CE1-OD1 2.81Å; H225-M522 HydrophobicContact CB-SD 3.95Å
226	N	91.5	Very high	94.2	Very high	126 Å²	126	26.2 Å²	26.2	67%	0.674	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	31.1	178	-61.7	-90.3	0	0	0	114.4	K223 L224	K223-N226 PolarHBondContact O-N 3.08Å; K223-N226 VanDerWaalsContact O-N 3.08Å; L224-N226 VanDerWaalsContact C-N 3.28Å; L224-N226 PolarHBondContact O-N 3.34Å; L224-N226 PolarHBondContact O-ND2 3.3Å
227	W	93.4	Very high	93.6	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.015	13%	0.127	C	C	.	.			trans	-79.9	127.5	176	-58.6	-25.3	0	0	0	110	I221 V222 H225 V230 L256 V289 L316 V318 I341 M517 V523	I221-W227 HydrophobicContact CG2-CZ3 4.47Å; V222-W227 HydrophobicContact CB-CE3 4.14Å; V222-W227 HydrophobicContact CG1-CB 3.82Å; V222-W227 HydrophobicContact CG1-CE3 4.17Å; V222-W227 HydrophobicContact CG2-CE3 3.99Å; V222-W227 HydrophobicContact CG2-CZ3 4.38Å; V222-W227 PolarHBondContact O-N 3.47Å; V222-W227 VanDerWaalsContact O-N 3.08Å; H225-W227 HydrophobicContact CB-CD2 3.79Å; H225-W227 HydrophobicContact CB-CE3 4.3Å; H225-W227 HydrophobicContact CB-CG 4.28Å; H225-W227 HydrophobicContact CB-CH2 4.04Å; H225-W227 HydrophobicContact CB-CZ2 3.52Å; H225-W227 HydrophobicContact CB-CZ3 4.4Å; H225-W227 AromaticContact CD2-CH2 3.49Å; H225-W227 VanDerWaalsContact CD2-CH2 3.49Å; H225-W227 WeakPolarHBondContact CD2-CH2 3.21Å; H225-W227 AromaticContact CD2-CZ2 3.78Å; H225-W227 AromaticContact CD2-CZ3 3.95Å; H225-W227 AromaticContact CG-CH2 4Å; H225-W227 AromaticContact CG-CZ2 3.8Å; H225-W227 VanDerWaalsContact O-CD1 3.25Å; H225-W227 PolarHBondContact O-N 2.73Å; H225-W227 PolarHBondContact O-NE1 3.35Å; W227-V230 HydrophobicContact CB-CG1 4.23Å; W227-L256 WeakPolarHBondContact O-CD1 3.29Å; W227-V289 HydrophobicContact CD2-CG2 3.58Å; W227-V289 HydrophobicContact CE3-CB 4.32Å; W227-V289 HydrophobicContact CE3-CG1 3.89Å; W227-V289 HydrophobicContact CE3-CG2 3.65Å; W227-V289 HydrophobicContact CG-CG2 4.1Å; W227-V289 HydrophobicContact CH2-CG2 4.25Å; W227-V289 HydrophobicContact CZ2-CG2 4.13Å; W227-V289 HydrophobicContact CZ3-CG1 4.16Å; W227-V289 HydrophobicContact CZ3-CG2 4.01Å; W227-L316 HydrophobicContact CH2-CD2 3.49Å; W227-L316 VanDerWaalsContact CH2-CD2 3.49Å; W227-L316 HydrophobicContact CZ2-CD2 3.66Å; W227-L316 HydrophobicContact CZ3-CD2 4.41Å; W227-V318 HydrophobicContact CH2-CG2 4.48Å; W227-V318 HydrophobicContact CZ3-CG2 3.92Å; W227-I341 HydrophobicContact CH2-CD1 4.31Å; W227-M517 HydrophobicContact CH2-CE 4.1Å; W227-M517 HydrophobicContact CZ2-CE 3.82Å; W227-M517 HydrophobicContact CZ2-SD 4.19Å; W227-V523 PolarHBondContact NE1-O 3.41Å
228	T	93.3	Very high	93.2	Very high	48 Å²	48	27 Å²	27	29%	0.294	14%	0.142	S	C	.	.			trans	-122.8	-8.8	-175.1	58.2	0	0	0	0	113.5	C257 S525	T228-C257 PolarHBondContact O-N 3.04Å; T228-S525 PolarHBondContact N-O 2.04Å
229	Y	95	Very high	92.8	Very high	21 Å²	21	28.6 Å²	28.6	8%	0.082	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	99.6	179.5	-168	-117.8	0	0	0	109.9	C257 A259 K286 A287 S525 C527 V544	Y229-C257 WeakPolarHBondContact CA-O 3.19Å; Y229-C257 HydrophobicContact CD2-CB 3.96Å; Y229-A259 HydrophobicContact CD1-CB 3.96Å; Y229-A259 HydrophobicContact CD2-CB 4.04Å; Y229-A259 HydrophobicContact CE1-CB 3.47Å; Y229-A259 VanDerWaalsContact CE1-CB 3.47Å; Y229-A259 HydrophobicContact CE2-CB 3.57Å; Y229-A259 HydrophobicContact CG-CB 4.23Å; Y229-K286 HydrophobicContact CD1-CB 3.87Å; Y229-K286 HydrophobicContact CE1-CB 3.82Å; Y229-A287 HydrophobicContact CD1-CB 3.8Å; Y229-A287 HydrophobicContact CE1-CB 3.99Å; Y229-S525 PolarHBondContact N-O 3.41Å; Y229-S525 CarbonylContact O-C 3.57Å; Y229-S525 WeakPolarHBondContact O-CB 3.24Å; Y229-S525 PolarHBondContact O-OG 2.86Å; Y229-C527 HydrophobicContact CD1-CB 3.75Å; Y229-C527 HydrophobicContact CD2-CB 3.78Å; Y229-C527 HydrophobicContact CE1-CB 4.08Å; Y229-C527 HydrophobicContact CE2-CB 4.1Å; Y229-C527 HydrophobicContact CG-CB 3.59Å; Y229-V544 HydrophobicContact CD2-CG2 4.45Å; Y229-V544 HydrophobicContact CE2-CG2 3.9Å
230	V	96.5	Very high	92.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	154	-174.8	-51.5	0	0	0	0	110.9	V222 W227 L256 C257 I258 A259 V289 V291	V222-V230 HydrophobicContact CG1-CG1 3.9Å; W227-V230 HydrophobicContact CB-CG1 4.23Å; V230-L256 HydrophobicContact CG2-CD2 3.92Å; V230-C257 PolarHBondContact N-O 2.96Å; V230-C257 VanDerWaalsContact N-O 3.13Å; V230-I258 HydrophobicContact CG2-CG1 4.3Å; V230-I258 CarbonylContact O-C 3.57Å; V230-I258 WeakPolarHBondContact O-CA 3.36Å; V230-A259 WeakPolarHBondContact O-CB 3.45Å; V230-A259 PolarHBondContact O-N 3.12Å; V230-V289 HydrophobicContact CB-CB 4.32Å; V230-V289 HydrophobicContact CB-CG1 4.24Å; V230-V289 HydrophobicContact CG1-CB 4.01Å; V230-V289 HydrophobicContact CG1-CG1 3.95Å; V230-V291 HydrophobicContact CB-CG2 4.22Å; V230-V291 HydrophobicContact CG2-CG2 3.83Å
231	S	97	Very high	92.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	155.2	165.9	-61.4	0	0	0	0	110.4	V289 V290 V291	S231-V289 PolarHBondContact N-O 2.71Å; S231-V290 CarbonylContact O-C 3.59Å; S231-V290 WeakPolarHBondContact O-CA 3.23Å; S231-V291 PolarHBondContact O-N 2.83Å
232	A	96.7	Very high	92.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.3	-179.8	0	0	0	0	0	110.9	M244 I258 H260 S261 D262 V291	A232-M244 HydrophobicContact CB-CE 3.79Å; A232-M244 HydrophobicContact CB-SD 3.72Å; A232-I258 HydrophobicContact CB-CG2 3.73Å; A232-H260 PolarHBondContact N-O 2.97Å; A232-S261 WeakPolarHBondContact O-CA 3.27Å; A232-D262 PolarHBondContact O-N 2.94Å; A232-D262 VanDerWaalsContact O-N 3.16Å; A232-V291 WeakPolarHBondContact CA-O 3.35Å
233	V	97.3	Very high	92.2	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	137.5	174.9	-177.9	0	0	0	0	108.4	M244 D262 L276 L280 V290 V291 C292 F293	V233-M244 WeakPolarHBondContact O-CE 3.45Å; V233-D262 WeakPolarHBondContact CA-O 3.44Å; V233-L276 HydrophobicContact CG1-CD1 4.5Å; V233-L276 HydrophobicContact CG1-CD2 4Å; V233-L276 HydrophobicContact CG2-CD1 4.17Å; V233-L280 HydrophobicContact CG2-CD1 4.14Å; V233-L280 HydrophobicContact CG2-CD2 4.22Å; V233-V290 HydrophobicContact CB-CG1 4.45Å; V233-V290 HydrophobicContact CG2-CG1 3.72Å; V233-V291 PolarHBondContact N-O 2.92Å; V233-C292 WeakPolarHBondContact O-CA 3.21Å; V233-F293 PolarHBondContact O-N 3.23Å; V233-F293 VanDerWaalsContact O-N 3.09Å
234	H	95.9	Very high	92.3	Very high	13 Å²	13	26.9 Å²	26.9	6%	0.06	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	154	173.7	61.6	111.5	0	0	0	113.4	G240 M244 D262 K263 I264 F293	H234-G240 VanDerWaalsContact CB-O 3.31Å; H234-G240 WeakPolarHBondContact CB-O 3.08Å; H234-G240 PolarHBondContact ND1-O 3.41Å; H234-M244 HydrophobicContact CB-CB 3.82Å; H234-M244 HydrophobicContact CB-CE 4.41Å; H234-M244 HydrophobicContact CB-CG 4.15Å; H234-D262 PolarHBondContact CD2-O 2.78Å; H234-D262 PolarHBondContact N-O 3.41Å; H234-K263 WeakPolarHBondContact O-CA 3.28Å; H234-I264 PolarHBondContact O-N 3.17Å; H234-I264 VanDerWaalsContact O-N 3.14Å; H234-F293 VanDerWaalsContact CA-O 3.24Å; H234-F293 WeakPolarHBondContact CA-O 3.44Å; H234-F293 HydrophobicContact CB-CB 4.15Å; H234-F293 WeakPolarHBondContact CB-O 3.35Å
235	T	91.6	Very high	92.5	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.025	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	142.9	170.5	-55.4	0	0	0	0	109.8	G240 I264 F293 C294 E295 T298	T235-G240 CarbonylContact O-C 3.38Å; T235-G240 WeakPolarHBondContact O-CA 3.47Å; T235-I264 VanDerWaalsContact CA-O 3.32Å; T235-I264 WeakPolarHBondContact CA-O 3.43Å; T235-F293 PolarHBondContact N-O 3.39Å; T235-C294 VanDerWaalsContact OG1-CA 3.3Å; T235-C294 WeakPolarHBondContact OG1-CA 3.04Å; T235-E295 HydrophobicContact CG2-CB 4.45Å; T235-E295 HydrophobicContact CG2-CG 4.14Å; T235-E295 PolarHBondContact OG1-N 3.36Å; T235-E295 VanDerWaalsContact OG1-N 3.1Å; T235-T298 VanDerWaalsContact OG1-CB 3.31Å; T235-T298 WeakPolarHBondContact OG1-CB 3.4Å; T235-T298 PolarHBondContact OG1-OG1 3.38Å
236	E	86.8	Confident	92.7	Very high	59 Å²	59	28.6 Å²	28.6	28%	0.276	15%	0.152	S	C	.	.	S	Bend	trans	-69.4	140.3	174.2	-177.6	157.9	144.1	0	0	112	K263 I264 Y265	E236-K263 IonicContact OE1-NZ 3.37Å; E236-K263 WeakPolarHBondContact OE2-CE 3.3Å; E236-K263 IonicContact OE2-NZ 2.67Å; E236-K263 PolarHBondContact OE2-NZ 2.8Å; E236-I264 PolarHBondContact N-O 3.41Å; E236-Y265 HydrophobicContact CB-CD1 3.86Å; E236-Y265 HydrophobicContact CB-CE1 3.95Å; E236-Y265 VanDerWaalsContact CD-OH 3.27Å; E236-Y265 HydrophobicContact CG-CD1 4.14Å; E236-Y265 HydrophobicContact CG-CE1 3.71Å; E236-Y265 WeakPolarHBondContact OE1-CE1 3.44Å; E236-Y265 PolarHBondContact OE1-OH 2.92Å; E236-Y265 PolarHBondContact OE2-OH 3.33Å
237	G	83.5	Confident	92.9	Very high	21 Å²	21	22.6 Å²	22.6	22%	0.216	12%	0.12	C	C	.	.	S	Bend	trans	108	162.4	-173.8	0	0	0	0	0	113.7	Y239 G240 E241	G237-Y239 PolarHBondContact O-N 3.11Å; G237-G240 PolarHBondContact O-N 2.92Å; G237-G240 VanDerWaalsContact O-N 3.09Å; G237-E241 PolarHBondContact N-OE2 3.24Å; G237-E241 PolarHBondContact O-N 3.1Å
238	N	86.1	Confident	93	Very high	58 Å²	58	24.5 Å²	24.5	31%	0.31	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-14.5	-165.7	-49.8	75.4	0	0	0	116.7	I172 S192 D194 S242	I172-N238 HydrophobicContact CD1-CB 3.87Å; S192-N238 WeakPolarHBondContact CB-O 3.12Å; S192-N238 PolarHBondContact OG-O 2.85Å; D194-N238 WeakPolarHBondContact OD2-CB 3.21Å; D194-N238 PolarHBondContact OD2-ND2 3.5Å; N238-S242 WeakPolarHBondContact O-CB 3.31Å; N238-S242 PolarHBondContact O-OG 3.27Å
239	Y	87.8	Confident	93.1	Very high	33 Å²	33	27.8 Å²	27.8	13%	0.129	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-62.9	171	169.4	-110.1	0	0	0	110.5	D211 G237 G243 E295 S320 D321 G322	D211-Y239 VanDerWaalsContact OD2-CD2 3.3Å; D211-Y239 WeakPolarHBondContact OD2-CD2 3.14Å; G237-Y239 PolarHBondContact O-N 3.11Å; Y239-G243 PolarHBondContact O-N 3.43Å; Y239-G243 VanDerWaalsContact O-N 3.14Å; Y239-E295 HydrophobicContact CD1-CG 4.33Å; Y239-S320 WeakPolarHBondContact OH-CB 3.5Å; Y239-S320 PolarHBondContact OH-OG 3.42Å; Y239-D321 PolarHBondContact OH-OD1 3.03Å; Y239-G322 PolarHBondContact OH-N 2.96Å
240	G	91.1	Very high	93.1	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-71.8	-35.6	-176	0	0	0	0	0	113.5	H234 T235 G237 M244 F293	H234-G240 VanDerWaalsContact CB-O 3.31Å; H234-G240 WeakPolarHBondContact CB-O 3.08Å; H234-G240 PolarHBondContact ND1-O 3.41Å; T235-G240 CarbonylContact O-C 3.38Å; T235-G240 WeakPolarHBondContact O-CA 3.47Å; G237-G240 PolarHBondContact O-N 2.92Å; G237-G240 VanDerWaalsContact O-N 3.09Å; G240-M244 WeakPolarHBondContact O-CB 3.49Å; G240-M244 PolarHBondContact O-N 2.87Å; G240-M244 VanDerWaalsContact O-N 3.17Å; G240-F293 WeakPolarHBondContact CA-O 3.42Å
241	E	92.1	Very high	93	Very high	63 Å²	63	28.3 Å²	28.3	29%	0.294	14%	0.144	S	C	.	.	H	α-helix	trans	-69.8	-53.2	179.7	-63.4	-170	125.3	0	0	111.9	G237 M244 E245 K263	G237-E241 PolarHBondContact N-OE2 3.24Å; G237-E241 PolarHBondContact O-N 3.1Å; E241-M244 PolarHBondContact O-N 3.33Å; E241-E245 WeakPolarHBondContact O-CB 3.5Å; E241-E245 PolarHBondContact O-N 3.21Å; E241-K263 WeakPolarHBondContact OE1-CD 3.39Å; E241-K263 WeakPolarHBondContact OE1-CE 3.45Å; E241-K263 IonicContact OE1-NZ 2.73Å; E241-K263 PolarHBondContact OE1-NZ 3.23Å
242	S	91.6	Very high	92.7	Very high	24 Å²	24	32.1 Å²	32.1	17%	0.168	17%	0.171	C	C	.	.	H	α-helix	trans	-68.9	-41.3	-177.7	-47.4	0	0	0	0	112.7	D194 N238 M244 E245 A246	D194-S242 VanDerWaalsContact OD1-CB 3.23Å; D194-S242 WeakPolarHBondContact OD1-CB 3.44Å; D194-S242 PolarHBondContact OD1-OG 3.42Å; N238-S242 WeakPolarHBondContact O-CB 3.31Å; N238-S242 PolarHBondContact O-OG 3.27Å; S242-M244 PolarHBondContact O-N 3.42Å; S242-E245 PolarHBondContact O-N 2.94Å; S242-A246 PolarHBondContact O-N 3.17Å
243	G	93.7	Very high	92.5	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.9	-40.3	175.4	0	0	0	0	0	113	Y239 F247 F293	Y239-G243 PolarHBondContact O-N 3.43Å; Y239-G243 VanDerWaalsContact O-N 3.14Å; G243-F247 PolarHBondContact O-N 3.23Å; G243-F293 WeakPolarHBondContact O-CE2 3.43Å
244	M	95.7	Very high	92.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-71.8	-31.8	174.9	-178.1	55.1	70.3	0	0	112.8	A232 V233 H234 G240 E241 S242 F247 K248 V291 F293	A232-M244 HydrophobicContact CB-CE 3.79Å; A232-M244 HydrophobicContact CB-SD 3.72Å; V233-M244 WeakPolarHBondContact O-CE 3.45Å; H234-M244 HydrophobicContact CB-CB 3.82Å; H234-M244 HydrophobicContact CB-CE 4.41Å; H234-M244 HydrophobicContact CB-CG 4.15Å; G240-M244 WeakPolarHBondContact O-CB 3.49Å; G240-M244 PolarHBondContact O-N 2.87Å; G240-M244 VanDerWaalsContact O-N 3.17Å; E241-M244 PolarHBondContact O-N 3.33Å; S242-M244 PolarHBondContact O-N 3.42Å; M244-F247 PolarHBondContact O-N 2.93Å; M244-F247 HydrophobicContact SD-CB 4.33Å; M244-F247 HydrophobicContact SD-CD1 3.94Å; M244-F247 HydrophobicContact SD-CG 4.49Å; M244-K248 HydrophobicContact CG-CD 4.45Å; M244-K248 VanDerWaalsContact O-CG 3.28Å; M244-K248 WeakPolarHBondContact O-CG 3.38Å; M244-K248 PolarHBondContact O-N 3.16Å; M244-K248 HydrophobicContact SD-CG 4.44Å; M244-V291 HydrophobicContact CE-CB 4.49Å; M244-V291 HydrophobicContact CE-CG1 4.04Å; M244-F293 HydrophobicContact CB-CB 4.16Å; M244-F293 HydrophobicContact CE-CB 4.16Å; M244-F293 HydrophobicContact CE-CD2 4.22Å
245	E	95	Very high	91.8	Very high	110 Å²	110	43.6 Å²	43.6	51%	0.514	24%	0.239	S	C	.	.	H	α-helix	trans	-68.7	-42.5	175.4	-153.5	62.7	-154.2	0	0	111.7	E241 S242 F247 K248 E249	E241-E245 WeakPolarHBondContact O-CB 3.5Å; E241-E245 PolarHBondContact O-N 3.21Å; S242-E245 PolarHBondContact O-N 2.94Å; E245-F247 VanDerWaalsContact C-N 3.32Å; E245-F247 PolarHBondContact O-N 3.45Å; E245-K248 PolarHBondContact O-N 2.85Å; E245-K248 VanDerWaalsContact OE2-CD 3.25Å; E245-K248 WeakPolarHBondContact OE2-CD 3.41Å; E245-K248 IonicContact OE2-NZ 2.97Å; E245-K248 PolarHBondContact OE2-NZ 3.36Å; E245-E249 PolarHBondContact O-N 3.36Å
246	A	95.3	Very high	91.9	Very high	14 Å²	14	44.3 Å²	44.3	12%	0.116	24%	0.242	C	C	.	.	H	α-helix	trans	-59.9	-40.5	170.2	0	0	0	0	0	112.2	I193 A215 S242 E249 L250	I193-A246 HydrophobicContact CD1-CB 3.48Å; I193-A246 VanDerWaalsContact CD1-CB 3.48Å; A215-A246 HydrophobicContact CB-CB 4.1Å; S242-A246 PolarHBondContact O-N 3.17Å; A246-E249 PolarHBondContact O-N 2.98Å; A246-L250 WeakPolarHBondContact O-CB 3.2Å; A246-L250 WeakPolarHBondContact O-CD1 3.3Å; A246-L250 VanDerWaalsContact O-CG 3.24Å; A246-L250 WeakPolarHBondContact O-CG 3.38Å; A246-L250 PolarHBondContact O-N 3.12Å
247	F	96.3	Very high	92.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62	-45.2	174.2	179.6	-92.6	0	0	0	112.3	A215 M218 L219 G243 M244 E245 E249 A251 I258 V291 F293	A215-F247 HydrophobicContact CB-CB 4.16Å; M218-F247 HydrophobicContact CB-CD2 4.19Å; M218-F247 HydrophobicContact CB-CE2 4.2Å; L219-F247 HydrophobicContact CB-CD2 4.41Å; L219-F247 HydrophobicContact CB-CE2 4.04Å; L219-F247 HydrophobicContact CD1-CE2 4.33Å; G243-F247 PolarHBondContact O-N 3.23Å; M244-F247 PolarHBondContact O-N 2.93Å; M244-F247 HydrophobicContact SD-CB 4.33Å; M244-F247 HydrophobicContact SD-CD1 3.94Å; M244-F247 HydrophobicContact SD-CG 4.49Å; E245-F247 VanDerWaalsContact C-N 3.32Å; E245-F247 PolarHBondContact O-N 3.45Å; F247-E249 PolarHBondContact O-N 3.13Å; F247-A251 HydrophobicContact CE1-CB 4.33Å; F247-A251 WeakPolarHBondContact O-CB 3.26Å; F247-A251 PolarHBondContact O-N 3.43Å; F247-I258 HydrophobicContact CD1-CD1 4.27Å; F247-I258 HydrophobicContact CE1-CD1 4.16Å; F247-V291 HydrophobicContact CD1-CG1 4.04Å; F247-V291 HydrophobicContact CD2-CG1 4.24Å; F247-V291 HydrophobicContact CE1-CB 4.26Å; F247-V291 HydrophobicContact CE1-CG1 3.87Å; F247-V291 HydrophobicContact CE1-CG2 4.05Å; F247-V291 HydrophobicContact CE2-CG1 4.06Å; F247-V291 HydrophobicContact CE2-CG2 4.49Å; F247-V291 HydrophobicContact CG-CG1 4.24Å; F247-V291 HydrophobicContact CZ-CB 4.35Å; F247-V291 HydrophobicContact CZ-CG1 3.89Å; F247-V291 HydrophobicContact CZ-CG2 3.78Å; F247-F293 HydrophobicContact CB-CD2 4.44Å; F247-F293 HydrophobicContact CB-CE2 4.08Å
248	K	95.1	Very high	92.7	Very high	44 Å²	44	42.9 Å²	42.9	19%	0.191	23%	0.232	C	C	.	.	H	α-helix	trans	-60.5	-44	176.4	-71.1	159.9	-173.2	146.7	0	111.8	M244 E245 A251 S252 I258 S261	M244-K248 HydrophobicContact CG-CD 4.45Å; M244-K248 VanDerWaalsContact O-CG 3.28Å; M244-K248 WeakPolarHBondContact O-CG 3.38Å; M244-K248 PolarHBondContact O-N 3.16Å; M244-K248 HydrophobicContact SD-CG 4.44Å; E245-K248 PolarHBondContact O-N 2.85Å; E245-K248 VanDerWaalsContact OE2-CD 3.25Å; E245-K248 WeakPolarHBondContact OE2-CD 3.41Å; E245-K248 IonicContact OE2-NZ 2.97Å; E245-K248 PolarHBondContact OE2-NZ 3.36Å; K248-A251 PolarHBondContact O-N 3.3Å; K248-S252 WeakPolarHBondContact O-CB 3.32Å; K248-S252 PolarHBondContact O-N 3.45Å; K248-I258 HydrophobicContact CB-CD1 4.21Å; K248-I258 HydrophobicContact CG-CD1 3.57Å; K248-S261 WeakPolarHBondContact CE-OG 3.44Å
249	E	94.8	Very high	93	Very high	118 Å²	118	40.5 Å²	40.5	55%	0.551	22%	0.22	S	C	*	.	H	α-helix	trans	-62.5	-54.8	-179.6	-166.4	-170.9	161	0	0	110.4	E245 A246 F247 A251 S252 Q253	E245-E249 PolarHBondContact O-N 3.36Å; A246-E249 PolarHBondContact O-N 2.98Å; F247-E249 PolarHBondContact O-N 3.13Å; E249-A251 VanDerWaalsContact C-N 3.32Å; E249-A251 PolarHBondContact O-N 3.42Å; E249-S252 PolarHBondContact O-N 2.94Å; E249-S252 VanDerWaalsContact O-N 3.09Å; E249-S252 PolarHBondContact O-OG 2.74Å; E249-Q253 WeakPolarHBondContact O-CG 3.49Å; E249-Q253 PolarHBondContact O-N 3.05Å; E249-Q253 VanDerWaalsContact O-N 3.11Å; E249-Q253 PolarHBondContact OE1-NE2 3.36Å
250	L	95.1	Very high	93.1	Very high	30 Å²	30	41 Å²	41	16%	0.157	22%	0.224	C	C	.	.	H	α-helix	trans	-58.9	-41.9	178.6	-66.4	168.6	0	0	0	111.7	A215 R216 L219 A246 S252 Q253 E254	A215-L250 HydrophobicContact CB-CD1 4.28Å; R216-L250 HydrophobicContact CB-CD1 4.22Å; L219-L250 HydrophobicContact CD2-CB 3.55Å; L219-L250 WeakPolarHBondContact CD2-O 3.42Å; A246-L250 WeakPolarHBondContact O-CB 3.2Å; A246-L250 WeakPolarHBondContact O-CD1 3.3Å; A246-L250 VanDerWaalsContact O-CG 3.24Å; A246-L250 WeakPolarHBondContact O-CG 3.38Å; A246-L250 PolarHBondContact O-N 3.12Å; L250-S252 VanDerWaalsContact C-N 3.34Å; L250-S252 PolarHBondContact O-N 3.09Å; L250-Q253 PolarHBondContact O-N 3.25Å; L250-E254 PolarHBondContact O-N 3.01Å
251	A	94.7	Very high	93.3	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-41.6	175.5	0	0	0	0	0	112.1	L219 F247 K248 E249 Q253 E254 G255 L256	L219-A251 HydrophobicContact CD1-CB 4.18Å; F247-A251 HydrophobicContact CE1-CB 4.33Å; F247-A251 WeakPolarHBondContact O-CB 3.26Å; F247-A251 PolarHBondContact O-N 3.43Å; K248-A251 PolarHBondContact O-N 3.3Å; E249-A251 VanDerWaalsContact C-N 3.32Å; E249-A251 PolarHBondContact O-N 3.42Å; A251-Q253 PolarHBondContact O-N 2.95Å; A251-E254 CarbonylContact O-C 3.55Å; A251-E254 PolarHBondContact O-N 2.89Å; A251-G255 PolarHBondContact O-N 2.68Å; A251-L256 HydrophobicContact CB-CB 4.16Å; A251-L256 HydrophobicContact CB-CD2 3.92Å; A251-L256 WeakPolarHBondContact O-CB 3.46Å; A251-L256 PolarHBondContact O-N 2.88Å
252	S	91.7	Very high	93.4	Very high	80 Å²	80	41.6 Å²	41.6	56%	0.559	23%	0.232	S	C	*	.	H	α-helix	trans	-66.3	-35.9	178.8	77.5	0	0	0	0	112.9	K248 E249 L250 E254 G255	K248-S252 WeakPolarHBondContact O-CB 3.32Å; K248-S252 PolarHBondContact O-N 3.45Å; E249-S252 PolarHBondContact O-N 2.94Å; E249-S252 VanDerWaalsContact O-N 3.09Å; E249-S252 PolarHBondContact O-OG 2.74Å; L250-S252 VanDerWaalsContact C-N 3.34Å; L250-S252 PolarHBondContact O-N 3.09Å; S252-E254 VanDerWaalsContact C-N 3.34Å; S252-G255 PolarHBondContact O-N 3.09Å
253	Q	92.5	Very high	93.5	Very high	125 Å²	125	44.9 Å²	44.9	58%	0.584	24%	0.243	S	C	*	.	H	α-helix	trans	-67.1	-34.7	176.4	-65.5	172.9	13.6	0	0	111.9	E249 L250 A251 G255	E249-Q253 WeakPolarHBondContact O-CG 3.49Å; E249-Q253 PolarHBondContact O-N 3.05Å; E249-Q253 VanDerWaalsContact O-N 3.11Å; E249-Q253 PolarHBondContact OE1-NE2 3.36Å; L250-Q253 PolarHBondContact O-N 3.25Å; A251-Q253 PolarHBondContact O-N 2.95Å; Q253-G255 VanDerWaalsContact C-N 3.32Å
254	E	90.5	Very high	93.5	Very high	78 Å²	78	45.5 Å²	45.5	36%	0.364	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	8.1	178.8	-65.8	-99.4	-146	0	0	112.9	R216 L219 K223 L250 A251 S252 L256	R216-E254 IonicContact CZ-OE1 2.66Å; R216-E254 IonicContact NH1-OE1 2.9Å; R216-E254 PolarHBondContact NH1-OE1 2.91Å; R216-E254 IonicContact NH2-OE1 3.96Å; R216-E254 PolarHBondContact NH2-OE1 3.41Å; L219-E254 HydrophobicContact CD2-CB 4.37Å; L219-E254 HydrophobicContact CD2-CG 4.03Å; K223-E254 IonicContact NZ-OE1 3.29Å; K223-E254 PolarHBondContact NZ-OE1 3.23Å; K223-E254 IonicContact NZ-OE2 2.71Å; K223-E254 PolarHBondContact NZ-OE2 3.14Å; L250-E254 PolarHBondContact O-N 3.01Å; A251-E254 CarbonylContact O-C 3.55Å; A251-E254 PolarHBondContact O-N 2.89Å; S252-E254 VanDerWaalsContact C-N 3.34Å; E254-L256 PolarHBondContact O-N 3.11Å
255	G	87.1	Confident	93	Very high	52 Å²	52	51.4 Å²	51.4	54%	0.536	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	15.8	174.5	0	0	0	0	0	115.7	A251 S252 Q253 C546	A251-G255 PolarHBondContact O-N 2.68Å; S252-G255 PolarHBondContact O-N 3.09Å; Q253-G255 VanDerWaalsContact C-N 3.32Å; G255-C546 PolarHBondContact O-SG 2.66Å
256	L	92.7	Very high	92.4	Very high	20 Å²	20	47.2 Å²	47.2	11%	0.105	25%	0.252	C	S	.	.			trans	-89.7	139.3	-177	-173.5	146.3	0	0	0	112.2	L219 V222 W227 V230 A251 E254	L219-L256 HydrophobicContact CD1-CD1 4.11Å; V222-L256 HydrophobicContact CG1-CD1 3.36Å; W227-L256 WeakPolarHBondContact O-CD1 3.29Å; V230-L256 HydrophobicContact CG2-CD2 3.92Å; A251-L256 HydrophobicContact CB-CB 4.16Å; A251-L256 HydrophobicContact CB-CD2 3.92Å; A251-L256 WeakPolarHBondContact O-CB 3.46Å; A251-L256 PolarHBondContact O-N 2.88Å; E254-L256 PolarHBondContact O-N 3.11Å
257	C	93.6	Very high	91.5	Very high	8 Å²	8	52 Å²	52	5%	0.054	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	138.3	-177.8	-63	0	0	0	0	113.5	T228 Y229 V230 V544 S545 C546	T228-C257 PolarHBondContact O-N 3.04Å; Y229-C257 WeakPolarHBondContact CA-O 3.19Å; Y229-C257 HydrophobicContact CD2-CB 3.96Å; V230-C257 PolarHBondContact N-O 2.96Å; V230-C257 VanDerWaalsContact N-O 3.13Å; C257-V544 HydrophobicContact CB-CG2 4.07Å; C257-S545 PolarHBondContact SG-OG 3.37Å; C257-C546 HydrophobicContact CB-CB 3.68Å; C257-C546 WeakPolarHBondContact CB-SG 3.44Å; C257-C546 PolarHBondContact N-SG 3.15Å; C257-C546 WeakPolarHBondContact SG-CB 3.4Å; C257-C546 PolarHBondContact SG-N 3.16Å; C257-C546 CovalentContact SG-SG 2.04Å; C257-C546 PolarHBondContact SG-SG 3.04Å
258	I	94.2	Very high	90.9	Very high	41 Å²	41	52.8 Å²	52.8	21%	0.21	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	118	172.5	-67.1	167.1	0	0	0	109.2	V230 A232 F247 K248 H260	V230-I258 HydrophobicContact CG2-CG1 4.3Å; V230-I258 CarbonylContact O-C 3.57Å; V230-I258 WeakPolarHBondContact O-CA 3.36Å; A232-I258 HydrophobicContact CB-CG2 3.73Å; F247-I258 HydrophobicContact CD1-CD1 4.27Å; F247-I258 HydrophobicContact CE1-CD1 4.16Å; K248-I258 HydrophobicContact CB-CD1 4.21Å; K248-I258 HydrophobicContact CG-CD1 3.57Å; I258-H260 VanDerWaalsContact CG2-O 3.28Å; I258-H260 WeakPolarHBondContact CG2-O 3.36Å
259	A	92	Very high	90.3	Very high	9 Å²	9	52.9 Å²	52.9	7%	0.074	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	-35.9	-175.8	0	0	0	0	0	113.4	Y229 V230 R283 A287	Y229-A259 HydrophobicContact CD1-CB 3.96Å; Y229-A259 HydrophobicContact CD2-CB 4.04Å; Y229-A259 HydrophobicContact CE1-CB 3.47Å; Y229-A259 VanDerWaalsContact CE1-CB 3.47Å; Y229-A259 HydrophobicContact CE2-CB 3.57Å; Y229-A259 HydrophobicContact CG-CB 4.23Å; V230-A259 WeakPolarHBondContact O-CB 3.45Å; V230-A259 PolarHBondContact O-N 3.12Å; A259-R283 HydrophobicContact CB-CB 4.47Å; A259-R283 HydrophobicContact CB-CG 4.36Å; A259-R283 PolarHBondContact O-NH1 3.34Å; A259-A287 HydrophobicContact CB-CB 3.61Å
260	H	91.2	Very high	90.1	Very high	44 Å²	44	52.8 Å²	52.8	20%	0.204	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	144.3	171.3	-169.5	51.6	0	0	0	108.7	A232 I258 K279 R283	A232-H260 PolarHBondContact N-O 2.97Å; I258-H260 VanDerWaalsContact CG2-O 3.28Å; I258-H260 WeakPolarHBondContact CG2-O 3.36Å; H260-K279 WeakPolarHBondContact NE2-CD 3.3Å; H260-R283 HydrophobicContact CB-CG 4.43Å
261	S	94.1	Very high	90	Very high	44 Å²	44	59.8 Å²	59.8	31%	0.308	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.5	168.1	-173.4	0	0	0	0	107.5	A232 K248	A232-S261 WeakPolarHBondContact O-CA 3.27Å; K248-S261 WeakPolarHBondContact CE-OG 3.44Å
262	D	94.7	Very high	89.9	Confident	32 Å²	32	64.1 Å²	64.1	17%	0.171	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	150.2	177.1	-151.3	18.1	0	0	0	110.7	A232 V233 H234 L276 K279	A232-D262 PolarHBondContact O-N 2.94Å; A232-D262 VanDerWaalsContact O-N 3.16Å; V233-D262 WeakPolarHBondContact CA-O 3.44Å; H234-D262 PolarHBondContact CD2-O 2.78Å; H234-D262 PolarHBondContact N-O 3.41Å; D262-L276 HydrophobicContact CB-CD1 3.63Å; D262-L276 WeakPolarHBondContact OD2-CD1 3.35Å; D262-K279 IonicContact OD1-NZ 3.82Å; D262-K279 PolarHBondContact OD1-NZ 2.91Å; D262-K279 WeakPolarHBondContact OD2-CE 3.26Å; D262-K279 IonicContact OD2-NZ 2.77Å; D262-K279 PolarHBondContact OD2-NZ 2.83Å
263	K	93.7	Very high	90	Very high	92 Å²	92	60.4 Å²	60.4	40%	0.4	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	146.2	179.4	76.2	167.5	-176.4	153.7	0	112.5	H234 E236 E241	H234-K263 WeakPolarHBondContact O-CA 3.28Å; E236-K263 IonicContact OE1-NZ 3.37Å; E236-K263 WeakPolarHBondContact OE2-CE 3.3Å; E236-K263 IonicContact OE2-NZ 2.67Å; E236-K263 PolarHBondContact OE2-NZ 2.8Å; E241-K263 WeakPolarHBondContact OE1-CD 3.39Å; E241-K263 WeakPolarHBondContact OE1-CE 3.45Å; E241-K263 IonicContact OE1-NZ 2.73Å; E241-K263 PolarHBondContact OE1-NZ 3.23Å
264	I	92.9	Very high	90.2	Very high	13 Å²	13	56.3 Å²	56.3	7%	0.067	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	142.2	-174.9	-167.6	157.6	0	0	0	111.8	H234 T235 E236 A268 H272 F273 L276 T298	H234-I264 PolarHBondContact O-N 3.17Å; H234-I264 VanDerWaalsContact O-N 3.14Å; T235-I264 VanDerWaalsContact CA-O 3.32Å; T235-I264 WeakPolarHBondContact CA-O 3.43Å; E236-I264 PolarHBondContact N-O 3.41Å; I264-A268 HydrophobicContact CD1-CB 4.16Å; I264-A268 HydrophobicContact CG1-CB 3.74Å; I264-H272 HydrophobicContact CD1-CB 4.04Å; I264-F273 HydrophobicContact CD1-CB 4.49Å; I264-F273 HydrophobicContact CD1-CD1 3.76Å; I264-F273 HydrophobicContact CD1-CD2 3.73Å; I264-F273 HydrophobicContact CD1-CE1 3.75Å; I264-F273 HydrophobicContact CD1-CE2 3.73Å; I264-F273 HydrophobicContact CD1-CG 3.74Å; I264-F273 HydrophobicContact CD1-CZ 3.72Å; I264-F273 HydrophobicContact CG1-CE1 4.27Å; I264-F273 HydrophobicContact CG1-CE2 4.1Å; I264-F273 HydrophobicContact CG1-CZ 3.92Å; I264-F273 HydrophobicContact CG2-CE1 4.06Å; I264-F273 HydrophobicContact CG2-CZ 4.21Å; I264-L276 HydrophobicContact CD1-CD2 4.02Å; I264-L276 HydrophobicContact CG2-CD2 4.1Å; I264-T298 HydrophobicContact CG2-CG2 3.59Å
265	Y	85.5	Confident	90.4	Very high	124 Å²	124	60 Å²	60	49%	0.486	31%	0.311	S	S	.	.			trans	-70.3	141.8	171.6	-59.5	-76.7	0	0	0	110.9	E236 N267 A268	E236-Y265 HydrophobicContact CB-CD1 3.86Å; E236-Y265 HydrophobicContact CB-CE1 3.95Å; E236-Y265 VanDerWaalsContact CD-OH 3.27Å; E236-Y265 HydrophobicContact CG-CD1 4.14Å; E236-Y265 HydrophobicContact CG-CE1 3.71Å; E236-Y265 WeakPolarHBondContact OE1-CE1 3.44Å; E236-Y265 PolarHBondContact OE1-OH 2.92Å; E236-Y265 PolarHBondContact OE2-OH 3.33Å; Y265-N267 VanDerWaalsContact CB-OD1 3.27Å; Y265-N267 WeakPolarHBondContact CB-OD1 3.37Å; Y265-N267 PolarHBondContact O-N 2.71Å; Y265-N267 VanDerWaalsContact O-N 3.11Å; Y265-A268 WeakPolarHBondContact O-CB 3.5Å; Y265-A268 PolarHBondContact O-N 3.21Å
266	S	82.1	Confident	90.8	Very high	22 Å²	22	57.6 Å²	57.6	15%	0.154	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-14.7	176.4	53	0	0	0	0	113.9	E295 T298 N301	S266-E295 WeakPolarHBondContact CB-OE2 3.39Å; S266-E295 PolarHBondContact OG-OE2 2.97Å; S266-T298 VanDerWaalsContact CA-OG1 3.32Å; S266-T298 WeakPolarHBondContact CA-OG1 3.46Å; S266-T298 VanDerWaalsContact CB-OG1 3.25Å; S266-T298 WeakPolarHBondContact CB-OG1 3.16Å; S266-N301 PolarHBondContact O-ND2 2.76Å
267	N	77	Confident	91	Very high	114 Å²	114	56.7 Å²	56.7	61%	0.61	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	12	173.9	70.3	-4.6	0	0	0	114.5	Y265	Y265-N267 VanDerWaalsContact CB-OD1 3.27Å; Y265-N267 WeakPolarHBondContact CB-OD1 3.37Å; Y265-N267 PolarHBondContact O-N 2.71Å; Y265-N267 VanDerWaalsContact O-N 3.11Å
268	A	83.9	Confident	91	Very high	18 Å²	18	57.6 Å²	57.6	15%	0.149	29%	0.292	C	S	.	.			trans	-65.8	141.8	-179.3	0	0	0	0	0	112.4	I264 Y265 H272 F273	I264-A268 HydrophobicContact CD1-CB 4.16Å; I264-A268 HydrophobicContact CG1-CB 3.74Å; Y265-A268 WeakPolarHBondContact O-CB 3.5Å; Y265-A268 PolarHBondContact O-N 3.21Å; A268-H272 HydrophobicContact CB-CB 4.09Å; A268-F273 HydrophobicContact CB-CD2 4.38Å; A268-F273 HydrophobicContact CB-CE2 3.86Å; A268-F273 WeakPolarHBondContact O-CE2 3.27Å
269	G	82.8	Confident	91.1	Very high	45 Å²	45	58.2 Å²	58.2	46%	0.464	29%	0.293	S	S	.	.			trans	-68.5	154.1	179.9	0	0	0	0	0	113.4	K271 H272	G269-K271 VanDerWaalsContact C-N 3.28Å; G269-K271 PolarHBondContact O-N 2.85Å; G269-H272 WeakPolarHBondContact O-CB 3.42Å; G269-H272 PolarHBondContact O-N 3.49Å
270	E	91.1	Very high	91.2	Very high	116 Å²	116	57.9 Å²	57.9	54%	0.542	29%	0.29	S	S	.	.	H	α-helix	trans	-43.8	-46.1	-170.6	-62	-173.2	111.9	0	0	114.6	H272 F273 D274 R308	E270-H272 PolarHBondContact O-N 3.28Å; E270-F273 PolarHBondContact O-N 2.96Å; E270-D274 VanDerWaalsContact O-CG 3.31Å; E270-D274 PolarHBondContact O-N 3.48Å; E270-R308 IonicContact OE1-CZ 2.7Å; E270-R308 IonicContact OE1-NE 2.63Å; E270-R308 IonicContact OE1-NH1 2.61Å; E270-R308 PolarHBondContact OE1-NH1 3.2Å
271	K	91.4	Very high	91.4	Very high	177 Å²	177	59.2 Å²	59.2	77%	0.77	30%	0.295	S	S	*	.	H	α-helix	trans	-56.2	-25.6	180	-63.9	-177.6	-180	179	0	114.2	G269 R275	G269-K271 VanDerWaalsContact C-N 3.28Å; G269-K271 PolarHBondContact O-N 2.85Å; K271-R275 WeakPolarHBondContact O-CB 3.25Å; K271-R275 PolarHBondContact O-N 2.03Å; K271-R275 VanDerWaalsContact O-N 3.13Å
272	H	92.8	Very high	91.4	Very high	92 Å²	92	63.5 Å²	63.5	43%	0.426	31%	0.311	S	S	.	.	H	α-helix	trans	-77.4	-42.4	175.9	-67.3	-103.3	0	0	0	111.5	I264 A268 G269 E270 R275 L276	I264-H272 HydrophobicContact CD1-CB 4.04Å; A268-H272 HydrophobicContact CB-CB 4.09Å; G269-H272 WeakPolarHBondContact O-CB 3.42Å; G269-H272 PolarHBondContact O-N 3.49Å; E270-H272 PolarHBondContact O-N 3.28Å; H272-R275 PolarHBondContact O-N 3.17Å; H272-L276 WeakPolarHBondContact O-CB 3.37Å; H272-L276 PolarHBondContact O-N 2.9Å
273	F	95.3	Very high	91.3	Very high	2 Å²	2	65.8 Å²	65.8	1%	0.009	32%	0.317	C	S	.	.	H	α-helix	trans	-66.5	-37.5	172.2	-76.2	-85.6	0	0	0	111.7	I264 A268 E270 R275 L276 L277 T298 N301 L302 A305	I264-F273 HydrophobicContact CD1-CB 4.49Å; I264-F273 HydrophobicContact CD1-CD1 3.76Å; I264-F273 HydrophobicContact CD1-CD2 3.73Å; I264-F273 HydrophobicContact CD1-CE1 3.75Å; I264-F273 HydrophobicContact CD1-CE2 3.73Å; I264-F273 HydrophobicContact CD1-CG 3.74Å; I264-F273 HydrophobicContact CD1-CZ 3.72Å; I264-F273 HydrophobicContact CG1-CE1 4.27Å; I264-F273 HydrophobicContact CG1-CE2 4.1Å; I264-F273 HydrophobicContact CG1-CZ 3.92Å; I264-F273 HydrophobicContact CG2-CE1 4.06Å; I264-F273 HydrophobicContact CG2-CZ 4.21Å; A268-F273 HydrophobicContact CB-CD2 4.38Å; A268-F273 HydrophobicContact CB-CE2 3.86Å; A268-F273 WeakPolarHBondContact O-CE2 3.27Å; E270-F273 PolarHBondContact O-N 2.96Å; F273-R275 VanDerWaalsContact C-N 3.34Å; F273-R275 PolarHBondContact O-N 3.15Å; F273-L276 HydrophobicContact CD1-CD2 4.3Å; F273-L276 WeakPolarHBondContact O-CB 3.43Å; F273-L276 PolarHBondContact O-N 3.25Å; F273-L277 WeakPolarHBondContact O-CB 3.43Å; F273-L277 PolarHBondContact O-N 3.19Å; F273-T298 HydrophobicContact CE1-CG2 3.9Å; F273-T298 WeakPolarHBondContact CE1-O 3.44Å; F273-T298 HydrophobicContact CZ-CG2 4.15Å; F273-N301 HydrophobicContact CD1-CB 3.84Å; F273-N301 HydrophobicContact CD2-CB 3.78Å; F273-N301 HydrophobicContact CE1-CB 3.57Å; F273-N301 HydrophobicContact CE2-CB 3.5Å; F273-N301 HydrophobicContact CG-CB 3.95Å; F273-N301 HydrophobicContact CZ-CB 3.41Å; F273-N301 VanDerWaalsContact CZ-CB 3.41Å; F273-L302 HydrophobicContact CD1-CB 4.32Å; F273-A305 HydrophobicContact CB-CB 3.97Å
274	D	95.4	Very high	91.2	Very high	40 Å²	40	63.6 Å²	63.6	21%	0.214	31%	0.309	C	S	.	.	H	α-helix	trans	-64.2	-40.2	175.4	-65	-28.7	0	0	0	111.6	E270 G278 R308 Q309	E270-D274 VanDerWaalsContact O-CG 3.31Å; E270-D274 PolarHBondContact O-N 3.48Å; D274-G278 PolarHBondContact O-N 3.09Å; D274-R308 IonicContact OD1-CZ 3.62Å; D274-R308 VanDerWaalsContact OD1-CZ 3.31Å; D274-R308 IonicContact OD1-NE 2.68Å; D274-R308 PolarHBondContact OD1-NE 3.33Å; D274-R308 IonicContact OD1-NH2 3.84Å; D274-R308 PolarHBondContact OD1-NH2 3.33Å; D274-R308 IonicContact OD2-NE 2.61Å; D274-R308 PolarHBondContact OD2-NE 3.48Å; D274-R308 IonicContact OD2-NH2 3.62Å; D274-Q309 PolarHBondContact O-NE2 2.94Å
275	R	95.4	Very high	91.1	Very high	155 Å²	155	68 Å²	68	59%	0.585	34%	0.339	S	S	*	.	H	α-helix	trans	-68.5	-41.1	174.6	-175.1	-178.3	67.8	-175.2	3.6	112.4	K271 H272 F273 G278 K279	K271-R275 WeakPolarHBondContact O-CB 3.25Å; K271-R275 PolarHBondContact O-N 2.03Å; K271-R275 VanDerWaalsContact O-N 3.13Å; H272-R275 PolarHBondContact O-N 3.17Å; F273-R275 VanDerWaalsContact C-N 3.34Å; F273-R275 PolarHBondContact O-N 3.15Å; R275-G278 PolarHBondContact O-N 3.41Å; R275-K279 PolarHBondContact O-N 3.46Å; R275-K279 VanDerWaalsContact O-N 3.13Å
276	L	95.5	Very high	91.4	Very high	1 Å²	1	66.7 Å²	66.7	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-56.7	-51.6	173.8	166.5	62.4	0	0	0	110.4	V233 D262 I264 H272 F273 G278 K279 L280 L302	V233-L276 HydrophobicContact CG1-CD1 4.5Å; V233-L276 HydrophobicContact CG1-CD2 4Å; V233-L276 HydrophobicContact CG2-CD1 4.17Å; D262-L276 HydrophobicContact CB-CD1 3.63Å; D262-L276 WeakPolarHBondContact OD2-CD1 3.35Å; I264-L276 HydrophobicContact CD1-CD2 4.02Å; I264-L276 HydrophobicContact CG2-CD2 4.1Å; H272-L276 WeakPolarHBondContact O-CB 3.37Å; H272-L276 PolarHBondContact O-N 2.9Å; F273-L276 HydrophobicContact CD1-CD2 4.3Å; F273-L276 WeakPolarHBondContact O-CB 3.43Å; F273-L276 PolarHBondContact O-N 3.25Å; L276-G278 VanDerWaalsContact C-N 3.28Å; L276-G278 PolarHBondContact O-N 3.45Å; L276-K279 WeakPolarHBondContact O-CB 3.35Å; L276-K279 PolarHBondContact O-N 2.91Å; L276-K279 VanDerWaalsContact O-N 3.14Å; L276-L280 HydrophobicContact CD1-CD1 4.47Å; L276-L280 HydrophobicContact CG-CD1 4.49Å; L276-L280 PolarHBondContact O-N 3.24Å; L276-L280 VanDerWaalsContact O-N 3.13Å; L276-L302 HydrophobicContact CD2-CD1 4.28Å
277	L	95.5	Very high	92	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-60.2	-38.9	177.3	-175.8	60.4	0	0	0	111.8	F273 K279 L280 K281 A305 M306 Q309 V311 F315	F273-L277 WeakPolarHBondContact O-CB 3.43Å; F273-L277 PolarHBondContact O-N 3.19Å; L277-K279 PolarHBondContact O-N 3.03Å; L277-L280 WeakPolarHBondContact O-CB 3.42Å; L277-L280 PolarHBondContact O-N 3.24Å; L277-L280 VanDerWaalsContact O-N 3.13Å; L277-K281 WeakPolarHBondContact O-CG 3.45Å; L277-K281 PolarHBondContact O-N 3.03Å; L277-A305 HydrophobicContact CB-CB 4.47Å; L277-A305 VanDerWaalsContact CD2-C 3.45Å; L277-A305 HydrophobicContact CD2-CB 4.08Å; L277-A305 WeakPolarHBondContact CD2-O 3.15Å; L277-M306 HydrophobicContact CD1-CG 3.98Å; L277-M306 HydrophobicContact CD2-CB 4.42Å; L277-M306 HydrophobicContact CD2-CG 3.97Å; L277-Q309 HydrophobicContact CD2-CB 3.94Å; L277-Q309 HydrophobicContact CD2-CG 4.14Å; L277-V311 HydrophobicContact CD1-CG1 4.42Å; L277-V311 HydrophobicContact CD2-CB 4.39Å; L277-V311 HydrophobicContact CD2-CG2 4.09Å; L277-F315 HydrophobicContact CD1-CD2 4.33Å; L277-F315 HydrophobicContact CD1-CE2 3.81Å
278	G	95.4	Very high	92.8	Very high	27 Å²	27	63 Å²	63	28%	0.278	31%	0.31	S	S	.	.	H	α-helix	trans	-52.8	-50.5	171.8	0	0	0	0	0	113.1	D274 R275 L276 L280 K281 E282	D274-G278 PolarHBondContact O-N 3.09Å; R275-G278 PolarHBondContact O-N 3.41Å; L276-G278 VanDerWaalsContact C-N 3.28Å; L276-G278 PolarHBondContact O-N 3.45Å; G278-L280 VanDerWaalsContact C-N 3.29Å; G278-L280 PolarHBondContact O-N 3.22Å; G278-K281 PolarHBondContact O-N 3.4Å; G278-E282 PolarHBondContact O-N 3.47Å
279	K	95	Very high	93.4	Very high	55 Å²	55	62.1 Å²	62.1	24%	0.239	30%	0.303	C	S	.	.	H	α-helix	trans	-61.9	-33.8	176.6	-60.5	-173.7	-169.2	168.9	0	113.4	H260 D262 R275 L276 L277	H260-K279 WeakPolarHBondContact NE2-CD 3.3Å; D262-K279 IonicContact OD1-NZ 3.82Å; D262-K279 PolarHBondContact OD1-NZ 2.91Å; D262-K279 WeakPolarHBondContact OD2-CE 3.26Å; D262-K279 IonicContact OD2-NZ 2.77Å; D262-K279 PolarHBondContact OD2-NZ 2.83Å; R275-K279 PolarHBondContact O-N 3.46Å; R275-K279 VanDerWaalsContact O-N 3.13Å; L276-K279 WeakPolarHBondContact O-CB 3.35Å; L276-K279 PolarHBondContact O-N 2.91Å; L276-K279 VanDerWaalsContact O-N 3.14Å; L277-K279 PolarHBondContact O-N 3.03Å
280	L	95.3	Very high	94	Very high	2 Å²	2	60 Å²	60	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-69	-42	175.8	-64.3	173.9	0	0	0	110.6	V233 L276 L277 G278 E282 R283 V290 F315	V233-L280 HydrophobicContact CG2-CD1 4.14Å; V233-L280 HydrophobicContact CG2-CD2 4.22Å; L276-L280 HydrophobicContact CD1-CD1 4.47Å; L276-L280 HydrophobicContact CG-CD1 4.49Å; L276-L280 PolarHBondContact O-N 3.24Å; L276-L280 VanDerWaalsContact O-N 3.13Å; L277-L280 WeakPolarHBondContact O-CB 3.42Å; L277-L280 PolarHBondContact O-N 3.24Å; L277-L280 VanDerWaalsContact O-N 3.13Å; G278-L280 VanDerWaalsContact C-N 3.29Å; G278-L280 PolarHBondContact O-N 3.22Å; L280-E282 VanDerWaalsContact C-N 3.27Å; L280-E282 PolarHBondContact O-N 3.12Å; L280-R283 WeakPolarHBondContact O-CB 3.1Å; L280-R283 PolarHBondContact O-N 3.35Å; L280-V290 HydrophobicContact CD1-CG1 4.38Å; L280-V290 HydrophobicContact CD2-CG1 4.46Å; L280-F315 HydrophobicContact CB-CE1 4.14Å; L280-F315 HydrophobicContact CB-CE2 4.31Å; L280-F315 HydrophobicContact CB-CZ 3.68Å
281	K	94.6	Very high	94.3	Very high	71 Å²	71	54.5 Å²	54.5	31%	0.309	26%	0.255	S	S	.	.	H	α-helix	trans	-62.9	-30.9	177.9	-66.8	-174.5	86.5	165.6	0	112.9	L277 G278 R283 L284 V311 F315	L277-K281 WeakPolarHBondContact O-CG 3.45Å; L277-K281 PolarHBondContact O-N 3.03Å; G278-K281 PolarHBondContact O-N 3.4Å; K281-R283 PolarHBondContact O-N 2.93Å; K281-R283 VanDerWaalsContact O-N 3.07Å; K281-L284 HydrophobicContact CG-CD1 4.49Å; K281-L284 PolarHBondContact O-N 3.04Å; K281-L284 VanDerWaalsContact O-N 3.15Å; K281-V311 HydrophobicContact CD-CG2 3.7Å; K281-V311 HydrophobicContact CG-CG2 4.47Å; K281-F315 HydrophobicContact CG-CE2 4.16Å; K281-F315 HydrophobicContact CG-CZ 4.26Å
282	E	94	Very high	94.6	Very high	135 Å²	135	46.2 Å²	46.2	63%	0.631	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-15.6	170.8	-66.4	172.6	-170.2	0	0	114.1	G278 L280	G278-E282 PolarHBondContact O-N 3.47Å; L280-E282 VanDerWaalsContact C-N 3.27Å; L280-E282 PolarHBondContact O-N 3.12Å
283	R	93.4	Very high	94.7	Very high	80 Å²	80	41.8 Å²	41.8	30%	0.302	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-5.9	-179.6	-48	-63.3	149.1	159.7	-15.9	113.5	A259 H260 L280 K281 K286 A287	A259-R283 HydrophobicContact CB-CB 4.47Å; A259-R283 HydrophobicContact CB-CG 4.36Å; A259-R283 PolarHBondContact O-NH1 3.34Å; H260-R283 HydrophobicContact CB-CG 4.43Å; L280-R283 WeakPolarHBondContact O-CB 3.1Å; L280-R283 PolarHBondContact O-N 3.35Å; K281-R283 PolarHBondContact O-N 2.93Å; K281-R283 VanDerWaalsContact O-N 3.07Å; R283-K286 PolarHBondContact O-N 2.79Å; R283-A287 HydrophobicContact CB-CB 3.91Å; R283-A287 PolarHBondContact O-N 3.46Å
284	L	91.2	Very high	94.6	Very high	45 Å²	45	41.8 Å²	41.8	24%	0.236	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	149.8	174.7	-71.2	174.4	0	0	0	111.4	K281 K286 R288 E314 F315	K281-L284 HydrophobicContact CG-CD1 4.49Å; K281-L284 PolarHBondContact O-N 3.04Å; K281-L284 VanDerWaalsContact O-N 3.15Å; L284-K286 VanDerWaalsContact C-N 3.32Å; L284-R288 HydrophobicContact CD2-CG 3.94Å; L284-E314 HydrophobicContact CD1-CB 3.95Å; L284-E314 HydrophobicContact CD1-CG 4.48Å; L284-E314 WeakPolarHBondContact CD1-OE2 3.45Å; L284-F315 HydrophobicContact CD1-CE1 3.95Å; L284-F315 HydrophobicContact CD1-CE2 3.95Å; L284-F315 HydrophobicContact CD1-CZ 3.53Å; L284-F315 HydrophobicContact CD2-CD1 3.96Å; L284-F315 HydrophobicContact CD2-CE1 3.55Å; L284-F315 HydrophobicContact CD2-CZ 4.05Å; L284-F315 HydrophobicContact CG-CD1 4.49Å; L284-F315 HydrophobicContact CG-CE1 3.65Å; L284-F315 HydrophobicContact CG-CZ 3.68Å
285	P	91.1	Very high	94.2	Very high	107 Å²	107	42.1 Å²	42.1	70%	0.695	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	cis	-84.4	6.2	-4.8	35.7	-36.4	0	0	0	113.7
286	K	91.4	Very high	93.9	Very high	96 Å²	96	34.8 Å²	34.8	42%	0.417	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-42.9	-172.4	-66.8	-169.9	170.7	-149.3	0	113.8	Y229 R283 L284 S525 V526 C527	Y229-K286 HydrophobicContact CD1-CB 3.87Å; Y229-K286 HydrophobicContact CE1-CB 3.82Å; R283-K286 PolarHBondContact O-N 2.79Å; L284-K286 VanDerWaalsContact C-N 3.32Å; K286-S525 CarbonylContact O-C 3.56Å; K286-S525 WeakPolarHBondContact O-CA 3.05Å; K286-V526 PolarHBondContact O-N 2.85Å; K286-C527 WeakPolarHBondContact CD-O 3.43Å; K286-C527 VanDerWaalsContact CE-O 3.24Å; K286-C527 WeakPolarHBondContact CE-O 3.45Å; K286-C527 PolarHBondContact NZ-O 3.03Å
287	A	94.3	Very high	93.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.19	C	C	.	.			trans	-111.8	87.1	177.4	0	0	0	0	0	110.2	Y229 A259 R283 S525	Y229-A287 HydrophobicContact CD1-CB 3.8Å; Y229-A287 HydrophobicContact CE1-CB 3.99Å; A259-A287 HydrophobicContact CB-CB 3.61Å; R283-A287 HydrophobicContact CB-CB 3.91Å; R283-A287 PolarHBondContact O-N 3.46Å; A287-S525 WeakPolarHBondContact CA-OG 3.42Å
288	R	93.9	Very high	93.3	Very high	58 Å²	58	38.7 Å²	38.7	22%	0.219	19%	0.191	C	C	.	.			trans	-84.4	-27.2	175.3	-67.4	-170.7	67.4	-162.2	-3.4	112.8	L284 G313 E314 F315 L316 V523 S525	L284-R288 HydrophobicContact CD2-CG 3.94Å; R288-G313 PolarHBondContact NH2-O 3.12Å; R288-E314 PolarHBondContact NE-O 3.23Å; R288-E314 PolarHBondContact NH2-O 3.01Å; R288-F315 CarbonylContact O-C 3.58Å; R288-F315 VanDerWaalsContact O-CA 3.25Å; R288-F315 WeakPolarHBondContact O-CA 3.39Å; R288-L316 PolarHBondContact O-N 2.95Å; R288-V523 HydrophobicContact CB-CG1 3.75Å; R288-S525 PolarHBondContact N-OG 3.03Å
289	V	95.7	Very high	93.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	131.9	179.6	173.7	0	0	0	0	109.9	W227 V230 S231 V291 L316 V318 V523 S525	W227-V289 HydrophobicContact CD2-CG2 3.58Å; W227-V289 HydrophobicContact CE3-CB 4.32Å; W227-V289 HydrophobicContact CE3-CG1 3.89Å; W227-V289 HydrophobicContact CE3-CG2 3.65Å; W227-V289 HydrophobicContact CG-CG2 4.1Å; W227-V289 HydrophobicContact CH2-CG2 4.25Å; W227-V289 HydrophobicContact CZ2-CG2 4.13Å; W227-V289 HydrophobicContact CZ3-CG1 4.16Å; W227-V289 HydrophobicContact CZ3-CG2 4.01Å; V230-V289 HydrophobicContact CB-CB 4.32Å; V230-V289 HydrophobicContact CB-CG1 4.24Å; V230-V289 HydrophobicContact CG1-CB 4.01Å; V230-V289 HydrophobicContact CG1-CG1 3.95Å; S231-V289 PolarHBondContact N-O 2.71Å; V289-V291 HydrophobicContact CG1-CG2 4.46Å; V289-L316 WeakPolarHBondContact CA-O 3.2Å; V289-L316 HydrophobicContact CG2-CB 4.38Å; V289-L316 HydrophobicContact CG2-CD2 4.31Å; V289-V318 HydrophobicContact CG1-CG2 3.86Å; V289-V523 HydrophobicContact CG2-CG1 4.22Å; V289-S525 PolarHBondContact N-OG 3.06Å; V289-S525 VanDerWaalsContact N-OG 3.1Å
290	V	96.8	Very high	93.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	112.2	175.9	-168.5	0	0	0	0	109.3	S231 V233 L280 F315 L316 L317 V318	S231-V290 CarbonylContact O-C 3.59Å; S231-V290 WeakPolarHBondContact O-CA 3.23Å; V233-V290 HydrophobicContact CB-CG1 4.45Å; V233-V290 HydrophobicContact CG2-CG1 3.72Å; L280-V290 HydrophobicContact CD1-CG1 4.38Å; L280-V290 HydrophobicContact CD2-CG1 4.46Å; V290-F315 HydrophobicContact CG2-CB 4.11Å; V290-F315 HydrophobicContact CG2-CD1 3.55Å; V290-F315 HydrophobicContact CG2-CE1 4.21Å; V290-F315 HydrophobicContact CG2-CG 3.98Å; V290-L316 PolarHBondContact N-O 3.19Å; V290-L317 HydrophobicContact CB-CD2 3.95Å; V290-L317 HydrophobicContact CG2-CD2 4.35Å; V290-V318 PolarHBondContact O-N 2.98Å
291	V	97.8	Very high	93.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	120.1	177.5	-179.8	0	0	0	0	109	M218 V222 V230 S231 A232 V233 M244 F247 V289 V318	M218-V291 HydrophobicContact CE-CG1 3.74Å; V222-V291 HydrophobicContact CG2-CG2 4.46Å; V230-V291 HydrophobicContact CB-CG2 4.22Å; V230-V291 HydrophobicContact CG2-CG2 3.83Å; S231-V291 PolarHBondContact O-N 2.83Å; A232-V291 WeakPolarHBondContact CA-O 3.35Å; V233-V291 PolarHBondContact N-O 2.92Å; M244-V291 HydrophobicContact CE-CB 4.49Å; M244-V291 HydrophobicContact CE-CG1 4.04Å; F247-V291 HydrophobicContact CD1-CG1 4.04Å; F247-V291 HydrophobicContact CD2-CG1 4.24Å; F247-V291 HydrophobicContact CE1-CB 4.26Å; F247-V291 HydrophobicContact CE1-CG1 3.87Å; F247-V291 HydrophobicContact CE1-CG2 4.05Å; F247-V291 HydrophobicContact CE2-CG1 4.06Å; F247-V291 HydrophobicContact CE2-CG2 4.49Å; F247-V291 HydrophobicContact CG-CG1 4.24Å; F247-V291 HydrophobicContact CZ-CB 4.35Å; F247-V291 HydrophobicContact CZ-CG1 3.89Å; F247-V291 HydrophobicContact CZ-CG2 3.78Å; V289-V291 HydrophobicContact CG1-CG2 4.46Å; V291-V318 CarbonylContact C-O 3.39Å; V291-V318 WeakPolarHBondContact CA-O 3.44Å
292	C	96.6	Very high	93.2	Very high	3 Å²	3	35 Å²	35	2%	0.02	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	94.5	-169.9	-73.7	0	0	0	0	112.6	V233 C294 V318 G319 S320	V233-C292 WeakPolarHBondContact O-CA 3.21Å; C292-C294 VanDerWaalsContact C-N 3.32Å; C292-C294 HydrophobicContact CB-CB 4.37Å; C292-C294 PolarHBondContact O-N 3.25Å; C292-V318 PolarHBondContact N-O 3.36Å; C292-G319 VanDerWaalsContact O-CA 3.31Å; C292-G319 WeakPolarHBondContact O-CA 3.23Å; C292-S320 PolarHBondContact O-N 3.21Å; C292-S320 PolarHBondContact O-OG 3.32Å
293	F	95.4	Very high	93.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	76.9	165.7	-99.8	-81.6	0	0	0	109.4	D211 Q214 A215 M218 V233 H234 T235 G240 G243 M244 F247	D211-F293 HydrophobicContact CB-CE1 4.29Å; Q214-F293 HydrophobicContact CB-CZ 4.37Å; Q214-F293 HydrophobicContact CG-CZ 4.45Å; A215-F293 HydrophobicContact CB-CE2 4.04Å; A215-F293 HydrophobicContact CB-CZ 3.82Å; M218-F293 HydrophobicContact SD-CD2 3.88Å; M218-F293 HydrophobicContact SD-CE2 3.37Å; M218-F293 WeakPolarHBondContact SD-CE2 3.45Å; M218-F293 HydrophobicContact SD-CZ 3.79Å; V233-F293 PolarHBondContact O-N 3.23Å; V233-F293 VanDerWaalsContact O-N 3.09Å; H234-F293 VanDerWaalsContact CA-O 3.24Å; H234-F293 WeakPolarHBondContact CA-O 3.44Å; H234-F293 HydrophobicContact CB-CB 4.15Å; H234-F293 WeakPolarHBondContact CB-O 3.35Å; T235-F293 PolarHBondContact N-O 3.39Å; G240-F293 WeakPolarHBondContact CA-O 3.42Å; G243-F293 WeakPolarHBondContact O-CE2 3.43Å; M244-F293 HydrophobicContact CB-CB 4.16Å; M244-F293 HydrophobicContact CE-CB 4.16Å; M244-F293 HydrophobicContact CE-CD2 4.22Å; F247-F293 HydrophobicContact CB-CD2 4.44Å; F247-F293 HydrophobicContact CB-CE2 4.08Å
294	C	92.4	Very high	93.4	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.014	13%	0.133	C	C	.	.			trans	-134.3	139	-162.8	-77.1	0	0	0	0	113.5	T235 C292 T298 V299 S320	T235-C294 VanDerWaalsContact OG1-CA 3.3Å; T235-C294 WeakPolarHBondContact OG1-CA 3.04Å; C292-C294 VanDerWaalsContact C-N 3.32Å; C292-C294 HydrophobicContact CB-CB 4.37Å; C292-C294 PolarHBondContact O-N 3.25Å; C294-T298 HydrophobicContact CB-CG2 4.18Å; C294-V299 HydrophobicContact CB-CG2 3.69Å; C294-S320 PolarHBondContact N-OG 2.81Å; C294-S320 PolarHBondContact O-OG 2.87Å
295	E	87.8	Confident	93.6	Very high	47 Å²	47	24.5 Å²	24.5	22%	0.22	12%	0.122	C	C	.	.			trans	-62.7	146	162.9	-66.4	-169.1	130.9	0	0	109.9	T235 Y239 S266 M297 T298 V299	T235-E295 HydrophobicContact CG2-CB 4.45Å; T235-E295 HydrophobicContact CG2-CG 4.14Å; T235-E295 PolarHBondContact OG1-N 3.36Å; T235-E295 VanDerWaalsContact OG1-N 3.1Å; Y239-E295 HydrophobicContact CD1-CG 4.33Å; S266-E295 WeakPolarHBondContact CB-OE2 3.39Å; S266-E295 PolarHBondContact OG-OE2 2.97Å; E295-M297 PolarHBondContact O-N 3.23Å; E295-T298 WeakPolarHBondContact O-CA 3.4Å; E295-T298 VanDerWaalsContact O-CB 3.28Å; E295-T298 WeakPolarHBondContact O-CB 3.38Å; E295-T298 PolarHBondContact O-N 2.78Å; E295-V299 PolarHBondContact O-N 3.26Å
296	G	88.3	Confident	93.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-55.2	-28.4	-178.6	0	0	0	0	0	115.5	V299 R300 G322 V329	G296-V299 PolarHBondContact O-N 3.23Å; G296-R300 WeakPolarHBondContact O-CB 3.44Å; G296-R300 PolarHBondContact O-N 2.98Å; G296-G322 WeakPolarHBondContact CA-O 3.46Å; G296-G322 PolarHBondContact N-O 3.27Å; G296-V329 VanDerWaalsContact O-CG1 3.3Å; G296-V329 WeakPolarHBondContact O-CG1 3.38Å
297	M	86.3	Confident	94	Very high	82 Å²	82	20 Å²	20	40%	0.404	9%	0.088	S	C	.	.	H	α-helix	trans	-68.6	-35.5	173.3	-69.2	-52.5	-53.4	0	0	112.7	E295 V299 R300 N301	E295-M297 PolarHBondContact O-N 3.23Å; M297-V299 VanDerWaalsContact C-N 3.34Å; M297-R300 PolarHBondContact O-N 2.98Å; M297-N301 WeakPolarHBondContact O-CB 3.25Å; M297-N301 PolarHBondContact O-N 2.82Å; M297-N301 PolarHBondContact O-ND2 2.89Å
298	T	92.4	Very high	94	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.012	10%	0.104	C	C	.	.	H	α-helix	trans	-64.4	-41.1	172.4	-54.4	0	0	0	0	110.8	T235 I264 S266 F273 C294 E295 N301 L302	T235-T298 VanDerWaalsContact OG1-CB 3.31Å; T235-T298 WeakPolarHBondContact OG1-CB 3.4Å; T235-T298 PolarHBondContact OG1-OG1 3.38Å; I264-T298 HydrophobicContact CG2-CG2 3.59Å; S266-T298 VanDerWaalsContact CA-OG1 3.32Å; S266-T298 WeakPolarHBondContact CA-OG1 3.46Å; S266-T298 VanDerWaalsContact CB-OG1 3.25Å; S266-T298 WeakPolarHBondContact CB-OG1 3.16Å; F273-T298 HydrophobicContact CE1-CG2 3.9Å; F273-T298 WeakPolarHBondContact CE1-O 3.44Å; F273-T298 HydrophobicContact CZ-CG2 4.15Å; C294-T298 HydrophobicContact CB-CG2 4.18Å; E295-T298 WeakPolarHBondContact O-CA 3.4Å; E295-T298 VanDerWaalsContact O-CB 3.28Å; E295-T298 WeakPolarHBondContact O-CB 3.38Å; E295-T298 PolarHBondContact O-N 2.78Å; T298-N301 PolarHBondContact O-N 2.99Å; T298-L302 WeakPolarHBondContact O-CB 3.44Å; T298-L302 PolarHBondContact O-N 3.02Å
299	V	95.4	Very high	94	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.018	11%	0.108	C	C	.	.	H	α-helix	trans	-65.3	-47.3	176	-177.8	0	0	0	0	110.9	C294 E295 G296 M297 N301 L302 L303 W323 V329	C294-V299 HydrophobicContact CB-CG2 3.69Å; E295-V299 PolarHBondContact O-N 3.26Å; G296-V299 PolarHBondContact O-N 3.23Å; M297-V299 VanDerWaalsContact C-N 3.34Å; V299-N301 VanDerWaalsContact C-N 3.33Å; V299-N301 PolarHBondContact O-N 2.59Å; V299-L302 WeakPolarHBondContact O-CB 3.28Å; V299-L302 PolarHBondContact O-N 3.45Å; V299-L302 VanDerWaalsContact O-N 3.1Å; V299-L303 HydrophobicContact CG1-CD1 4.15Å; V299-L303 HydrophobicContact CG1-CG 4.43Å; V299-L303 WeakPolarHBondContact O-CG 3.33Å; V299-L303 PolarHBondContact O-N 3.48Å; V299-W323 HydrophobicContact CB-CB 4.47Å; V299-W323 HydrophobicContact CB-CG 4.37Å; V299-W323 HydrophobicContact CG1-CB 4.48Å; V299-W323 HydrophobicContact CG1-CD2 4.02Å; V299-W323 HydrophobicContact CG1-CE3 4.4Å; V299-W323 HydrophobicContact CG1-CG 4.06Å; V299-W323 HydrophobicContact CG2-CB 4.44Å; V299-W323 HydrophobicContact CG2-CG 4.1Å; V299-V329 HydrophobicContact CB-CG1 3.97Å; V299-V329 HydrophobicContact CG1-CG1 3.99Å
300	R	94.3	Very high	93.9	Very high	39 Å²	39	35.3 Å²	35.3	15%	0.147	15%	0.149	C	C	.	.	H	α-helix	trans	-56.4	-44.8	175.7	-173.5	161.9	-173.8	73.8	-7.7	112.2	G296 M297 L302 L303 M304 E328 V329 E331	G296-R300 WeakPolarHBondContact O-CB 3.44Å; G296-R300 PolarHBondContact O-N 2.98Å; M297-R300 PolarHBondContact O-N 2.98Å; R300-L302 VanDerWaalsContact C-N 3.33Å; R300-L302 PolarHBondContact O-N 3.48Å; R300-L303 PolarHBondContact O-N 3.3Å; R300-M304 HydrophobicContact CG-CE 3.87Å; R300-M304 HydrophobicContact CG-SD 4.47Å; R300-M304 VanDerWaalsContact O-CG 3.27Å; R300-M304 WeakPolarHBondContact O-CG 3.47Å; R300-M304 PolarHBondContact O-N 2.76Å; R300-E328 WeakPolarHBondContact CD-O 3.41Å; R300-E328 PolarHBondContact NE-O 3Å; R300-E328 PolarHBondContact NH1-O 3.21Å; R300-V329 HydrophobicContact CB-CG1 4.2Å; R300-V329 WeakPolarHBondContact CB-O 3.39Å; R300-V329 WeakPolarHBondContact CD-O 3.38Å; R300-V329 VanDerWaalsContact CG-O 3.3Å; R300-V329 WeakPolarHBondContact CG-O 3.29Å; R300-V329 PolarHBondContact NH1-O 2.89Å; R300-E331 VanDerWaalsContact CZ-O 3.26Å; R300-E331 PolarHBondContact NH1-O 3.22Å; R300-E331 PolarHBondContact NH2-O 3.39Å
301	N	94	Very high	93.5	Very high	31 Å²	31	35.3 Å²	35.3	17%	0.166	15%	0.149	C	C	.	.	H	α-helix	trans	-69.5	-28.4	178.3	-69.7	-21.1	0	0	0	113.3	S266 F273 M297 T298 V299 A305	S266-N301 PolarHBondContact O-ND2 2.76Å; F273-N301 HydrophobicContact CD1-CB 3.84Å; F273-N301 HydrophobicContact CD2-CB 3.78Å; F273-N301 HydrophobicContact CE1-CB 3.57Å; F273-N301 HydrophobicContact CE2-CB 3.5Å; F273-N301 HydrophobicContact CG-CB 3.95Å; F273-N301 HydrophobicContact CZ-CB 3.41Å; F273-N301 VanDerWaalsContact CZ-CB 3.41Å; M297-N301 WeakPolarHBondContact O-CB 3.25Å; M297-N301 PolarHBondContact O-N 2.82Å; M297-N301 PolarHBondContact O-ND2 2.89Å; T298-N301 PolarHBondContact O-N 2.99Å; V299-N301 VanDerWaalsContact C-N 3.33Å; V299-N301 PolarHBondContact O-N 2.59Å; N301-A305 PolarHBondContact O-N 3.11Å; N301-A305 VanDerWaalsContact O-N 3.14Å
302	L	95.6	Very high	92.9	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-71.2	-44.7	171.5	-178.5	61.9	0	0	0	111.4	F273 L276 T298 V299 R300 M304 A305 M306 L317	F273-L302 HydrophobicContact CD1-CB 4.32Å; L276-L302 HydrophobicContact CD2-CD1 4.28Å; T298-L302 WeakPolarHBondContact O-CB 3.44Å; T298-L302 PolarHBondContact O-N 3.02Å; V299-L302 WeakPolarHBondContact O-CB 3.28Å; V299-L302 PolarHBondContact O-N 3.45Å; V299-L302 VanDerWaalsContact O-N 3.1Å; R300-L302 VanDerWaalsContact C-N 3.33Å; R300-L302 PolarHBondContact O-N 3.48Å; L302-M304 VanDerWaalsContact C-N 3.32Å; L302-M304 PolarHBondContact O-N 2.82Å; L302-A305 WeakPolarHBondContact O-CA 3.05Å; L302-A305 WeakPolarHBondContact O-CB 3.03Å; L302-A305 PolarHBondContact O-N 3.33Å; L302-A305 VanDerWaalsContact O-N 3.07Å; L302-M306 HydrophobicContact CG-SD 4.45Å; L302-M306 WeakPolarHBondContact O-CG 3.34Å; L302-M306 PolarHBondContact O-N 3.35Å; L302-L317 HydrophobicContact CD2-CD2 4.48Å
303	L	95.9	Very high	92.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61	-40.3	173.8	-66.3	170.7	0	0	0	111.7	V299 R300 A305 M306 R307 L317 V330 Y333 E336 A337	V299-L303 HydrophobicContact CG1-CD1 4.15Å; V299-L303 HydrophobicContact CG1-CG 4.43Å; V299-L303 WeakPolarHBondContact O-CG 3.33Å; V299-L303 PolarHBondContact O-N 3.48Å; R300-L303 PolarHBondContact O-N 3.3Å; L303-A305 VanDerWaalsContact C-N 3.33Å; L303-A305 PolarHBondContact O-N 2.95Å; L303-M306 HydrophobicContact CD2-SD 4.27Å; L303-M306 WeakPolarHBondContact O-CB 3.45Å; L303-M306 PolarHBondContact O-N 3.34Å; L303-R307 PolarHBondContact O-N 3.07Å; L303-L317 HydrophobicContact CD2-CD1 3.96Å; L303-V330 HydrophobicContact CD1-CG1 4.09Å; L303-Y333 HydrophobicContact CB-CG 4.3Å; L303-E336 HydrophobicContact CD2-CB 4.11Å; L303-A337 HydrophobicContact CD1-CB 3.9Å; L303-A337 HydrophobicContact CD2-CB 3.76Å
304	M	95.2	Very high	91.9	Very high	41 Å²	41	44.9 Å²	44.9	20%	0.202	20%	0.196	C	C	.	.	H	α-helix	trans	-57.8	-42.4	170.3	-74.5	171.1	175.5	0	0	112.5	R300 L302 R307 R308 Y333	R300-M304 HydrophobicContact CG-CE 3.87Å; R300-M304 HydrophobicContact CG-SD 4.47Å; R300-M304 VanDerWaalsContact O-CG 3.27Å; R300-M304 WeakPolarHBondContact O-CG 3.47Å; R300-M304 PolarHBondContact O-N 2.76Å; L302-M304 VanDerWaalsContact C-N 3.32Å; L302-M304 PolarHBondContact O-N 2.82Å; M304-R307 PolarHBondContact O-N 3.33Å; M304-R308 WeakPolarHBondContact O-CB 3.35Å; M304-R308 WeakPolarHBondContact O-CG 3.24Å; M304-R308 PolarHBondContact O-N 3Å; M304-Y333 HydrophobicContact CB-CE1 4.22Å; M304-Y333 HydrophobicContact CE-CE2 3.67Å; M304-Y333 HydrophobicContact CG-CD1 4.19Å; M304-Y333 HydrophobicContact CG-CD2 4.43Å; M304-Y333 HydrophobicContact CG-CE1 3.58Å; M304-Y333 HydrophobicContact CG-CE2 3.85Å
305	A	95.6	Very high	91.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.9	-39.5	175.7	0	0	0	0	0	112.2	F273 L277 N301 L302 L303 R308 Q309	F273-A305 HydrophobicContact CB-CB 3.97Å; L277-A305 HydrophobicContact CB-CB 4.47Å; L277-A305 VanDerWaalsContact CD2-C 3.45Å; L277-A305 HydrophobicContact CD2-CB 4.08Å; L277-A305 WeakPolarHBondContact CD2-O 3.15Å; N301-A305 PolarHBondContact O-N 3.11Å; N301-A305 VanDerWaalsContact O-N 3.14Å; L302-A305 WeakPolarHBondContact O-CA 3.05Å; L302-A305 WeakPolarHBondContact O-CB 3.03Å; L302-A305 PolarHBondContact O-N 3.33Å; L302-A305 VanDerWaalsContact O-N 3.07Å; L303-A305 VanDerWaalsContact C-N 3.33Å; L303-A305 PolarHBondContact O-N 2.95Å; A305-R308 VanDerWaalsContact CA-NH2 3.31Å; A305-R308 PolarHBondContact O-N 3.03Å; A305-Q309 WeakPolarHBondContact O-CB 3.46Å; A305-Q309 PolarHBondContact O-N 3.25Å
306	M	95.6	Very high	92.2	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-58.3	-47.6	174	-74.8	171.2	62.2	0	0	110.8	L277 L302 L303 Q309 R310 V311 E336	L277-M306 HydrophobicContact CD1-CG 3.98Å; L277-M306 HydrophobicContact CD2-CB 4.42Å; L277-M306 HydrophobicContact CD2-CG 3.97Å; L302-M306 HydrophobicContact CG-SD 4.45Å; L302-M306 WeakPolarHBondContact O-CG 3.34Å; L302-M306 PolarHBondContact O-N 3.35Å; L303-M306 HydrophobicContact CD2-SD 4.27Å; L303-M306 WeakPolarHBondContact O-CB 3.45Å; L303-M306 PolarHBondContact O-N 3.34Å; M306-Q309 CarbonylContact O-C 3.59Å; M306-Q309 PolarHBondContact O-N 3.1Å; M306-R310 PolarHBondContact O-N 3.31Å; M306-V311 HydrophobicContact CB-CB 4.33Å; M306-V311 WeakPolarHBondContact CB-O 3.4Å; M306-V311 HydrophobicContact CG-CB 4.36Å; M306-V311 HydrophobicContact CG-CG1 4.39Å; M306-V311 PolarHBondContact O-N 2.73Å; M306-E336 HydrophobicContact CB-CB 4.31Å; M306-E336 HydrophobicContact CB-CG 4.24Å; M306-E336 HydrophobicContact CE-CB 4.4Å; M306-E336 VanDerWaalsContact CE-O 3.3Å; M306-E336 WeakPolarHBondContact CE-O 3.23Å
307	R	95	Very high	92.5	Very high	107 Å²	107	44 Å²	44	40%	0.404	19%	0.192	S	C	.	.	H	α-helix	trans	-63	-46.7	175.1	-166.3	158.5	-128.6	-157.6	-4.3	112.6	L303 M304 Q309 R310 G332 Y333 E335 E336	L303-R307 PolarHBondContact O-N 3.07Å; M304-R307 PolarHBondContact O-N 3.33Å; R307-Q309 VanDerWaalsContact C-N 3.3Å; R307-Q309 PolarHBondContact O-N 2.95Å; R307-R310 PolarHBondContact O-N 3.09Å; R307-G332 PolarHBondContact NH1-O 2.85Å; R307-Y333 HydrophobicContact CB-CD1 4.03Å; R307-Y333 HydrophobicContact CB-CE1 4.23Å; R307-Y333 HydrophobicContact CG-CD1 4.48Å; R307-E335 IonicContact NH2-OE2 2.89Å; R307-E335 PolarHBondContact NH2-OE2 2.88Å; R307-E335 VanDerWaalsContact NH2-OE2 3.13Å; R307-E336 HydrophobicContact CB-CG 4.08Å; R307-E336 WeakPolarHBondContact CB-OE1 3.37Å; R307-E336 WeakPolarHBondContact CD-OE1 3.16Å; R307-E336 WeakPolarHBondContact CD-OE2 3.37Å; R307-E336 WeakPolarHBondContact CG-OE1 3.24Å; R307-E336 IonicContact CZ-OE1 2.7Å; R307-E336 IonicContact CZ-OE2 3.5Å; R307-E336 IonicContact NE-OE1 3.56Å; R307-E336 PolarHBondContact NE-OE1 3.33Å; R307-E336 IonicContact NE-OE2 3.75Å; R307-E336 PolarHBondContact NE-OE2 3.05Å
308	R	94.6	Very high	93	Very high	89 Å²	89	40.2 Å²	40.2	34%	0.336	17%	0.173	S	C	.	.	H	α-helix	trans	-57.7	-38.9	176.1	-76.4	-167.8	-57	-88.8	-11.5	112.6	E270 D274 M304 A305	E270-R308 IonicContact OE1-CZ 2.7Å; E270-R308 IonicContact OE1-NE 2.63Å; E270-R308 IonicContact OE1-NH1 2.61Å; E270-R308 PolarHBondContact OE1-NH1 3.2Å; D274-R308 IonicContact OD1-CZ 3.62Å; D274-R308 VanDerWaalsContact OD1-CZ 3.31Å; D274-R308 IonicContact OD1-NE 2.68Å; D274-R308 PolarHBondContact OD1-NE 3.33Å; D274-R308 IonicContact OD1-NH2 3.84Å; D274-R308 PolarHBondContact OD1-NH2 3.33Å; D274-R308 IonicContact OD2-NE 2.61Å; D274-R308 PolarHBondContact OD2-NE 3.48Å; D274-R308 IonicContact OD2-NH2 3.62Å; M304-R308 WeakPolarHBondContact O-CB 3.35Å; M304-R308 WeakPolarHBondContact O-CG 3.24Å; M304-R308 PolarHBondContact O-N 3Å; A305-R308 VanDerWaalsContact CA-NH2 3.31Å; A305-R308 PolarHBondContact O-N 3.03Å
309	Q	93.6	Very high	93.1	Very high	63 Å²	63	40.1 Å²	40.1	29%	0.294	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	5.4	-179.4	-63.4	-169.4	29.7	0	0	114.7	D274 L277 A305 M306 R307 V311	D274-Q309 PolarHBondContact O-NE2 2.94Å; L277-Q309 HydrophobicContact CD2-CB 3.94Å; L277-Q309 HydrophobicContact CD2-CG 4.14Å; A305-Q309 WeakPolarHBondContact O-CB 3.46Å; A305-Q309 PolarHBondContact O-N 3.25Å; M306-Q309 CarbonylContact O-C 3.59Å; M306-Q309 PolarHBondContact O-N 3.1Å; R307-Q309 VanDerWaalsContact C-N 3.3Å; R307-Q309 PolarHBondContact O-N 2.95Å; Q309-V311 VanDerWaalsContact C-N 3.3Å; Q309-V311 HydrophobicContact CB-CG2 4.06Å; Q309-V311 PolarHBondContact O-N 3.09Å
310	R	92.4	Very high	93	Very high	226 Å²	226	40 Å²	40	85%	0.853	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	39.2	-178.8	-53.3	-179.9	-178.3	176.8	-0.9	113.8	M306 R307	M306-R310 PolarHBondContact O-N 3.31Å; R307-R310 PolarHBondContact O-N 3.09Å
311	V	88.7	Confident	92.9	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	17%	0.167	C	C	.	.			trans	-97.1	90.9	177.2	178.8	0	0	0	0	108.7	L277 K281 M306 Q309 E314 F315	L277-V311 HydrophobicContact CD1-CG1 4.42Å; L277-V311 HydrophobicContact CD2-CB 4.39Å; L277-V311 HydrophobicContact CD2-CG2 4.09Å; K281-V311 HydrophobicContact CD-CG2 3.7Å; K281-V311 HydrophobicContact CG-CG2 4.47Å; M306-V311 HydrophobicContact CB-CB 4.33Å; M306-V311 WeakPolarHBondContact CB-O 3.4Å; M306-V311 HydrophobicContact CG-CB 4.36Å; M306-V311 HydrophobicContact CG-CG1 4.39Å; M306-V311 PolarHBondContact O-N 2.73Å; Q309-V311 VanDerWaalsContact C-N 3.3Å; Q309-V311 HydrophobicContact CB-CG2 4.06Å; Q309-V311 PolarHBondContact O-N 3.09Å; V311-E314 HydrophobicContact CG1-CB 3.99Å; V311-E314 HydrophobicContact CG1-CG 4.27Å; V311-F315 HydrophobicContact CG1-CD2 3.67Å; V311-F315 HydrophobicContact CG1-CE2 3.8Å
312	R	85.7	Confident	92.5	Very high	109 Å²	109	37.7 Å²	37.7	41%	0.411	17%	0.165	S	C	.	.			trans	-118.7	132.3	178	-179.1	176.8	176.7	179.5	5.4	109.9	E314 E335 E338	R312-E314 PolarHBondContact O-N 3.47Å; R312-E335 WeakPolarHBondContact CG-O 3.5Å; R312-E335 IonicContact CZ-OE1 3.5Å; R312-E335 PolarHBondContact NE-O 2.71Å; R312-E335 IonicContact NH1-OE1 2.62Å; R312-E335 PolarHBondContact NH1-OE1 3.49Å; R312-E335 IonicContact NH1-OE2 3.91Å; R312-E335 IonicContact NH2-OE1 3.41Å; R312-E335 PolarHBondContact NH2-OE1 3.25Å; R312-E338 IonicContact NH2-OE2 2.71Å
313	G	82.8	Confident	92.2	Very high	27 Å²	27	37.5 Å²	37.5	28%	0.278	16%	0.164	S	C	.	.	S	Bend	trans	68	-8.5	178.5	0	0	0	0	0	116.5	R288	R288-G313 PolarHBondContact NH2-O 3.12Å
314	E	88.5	Confident	91.6	Very high	68 Å²	68	37.8 Å²	37.8	32%	0.318	17%	0.166	S	C	.	.	S	Bend	trans	-63.1	-45.8	176.8	-66.3	-178.4	-167	0	0	111.5	L284 R288 V311 R312	L284-E314 HydrophobicContact CD1-CB 3.95Å; L284-E314 HydrophobicContact CD1-CG 4.48Å; L284-E314 WeakPolarHBondContact CD1-OE2 3.45Å; R288-E314 PolarHBondContact NE-O 3.23Å; R288-E314 PolarHBondContact NH2-O 3.01Å; V311-E314 HydrophobicContact CG1-CB 3.99Å; V311-E314 HydrophobicContact CG1-CG 4.27Å; R312-E314 PolarHBondContact O-N 3.47Å
315	F	91.9	Very high	90.9	Very high	15 Å²	15	37.1 Å²	37.1	7%	0.066	16%	0.163	C	C	.	.			trans	-103.7	148.8	-179	-64.9	-70	0	0	0	112.9	L277 L280 K281 L284 R288 V290 V311	L277-F315 HydrophobicContact CD1-CD2 4.33Å; L277-F315 HydrophobicContact CD1-CE2 3.81Å; L280-F315 HydrophobicContact CB-CE1 4.14Å; L280-F315 HydrophobicContact CB-CE2 4.31Å; L280-F315 HydrophobicContact CB-CZ 3.68Å; K281-F315 HydrophobicContact CG-CE2 4.16Å; K281-F315 HydrophobicContact CG-CZ 4.26Å; L284-F315 HydrophobicContact CD1-CE1 3.95Å; L284-F315 HydrophobicContact CD1-CE2 3.95Å; L284-F315 HydrophobicContact CD1-CZ 3.53Å; L284-F315 HydrophobicContact CD2-CD1 3.96Å; L284-F315 HydrophobicContact CD2-CE1 3.55Å; L284-F315 HydrophobicContact CD2-CZ 4.05Å; L284-F315 HydrophobicContact CG-CD1 4.49Å; L284-F315 HydrophobicContact CG-CE1 3.65Å; L284-F315 HydrophobicContact CG-CZ 3.68Å; R288-F315 CarbonylContact O-C 3.58Å; R288-F315 VanDerWaalsContact O-CA 3.25Å; R288-F315 WeakPolarHBondContact O-CA 3.39Å; V290-F315 HydrophobicContact CG2-CB 4.11Å; V290-F315 HydrophobicContact CG2-CD1 3.55Å; V290-F315 HydrophobicContact CG2-CE1 4.21Å; V290-F315 HydrophobicContact CG2-CG 3.98Å; V311-F315 HydrophobicContact CG1-CD2 3.67Å; V311-F315 HydrophobicContact CG1-CE2 3.8Å
316	L	93.4	Very high	90.3	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.042	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	116.1	165.9	176.8	59.2	0	0	0	108.7	W227 R288 V289 V290 G339 M517 V523	W227-L316 HydrophobicContact CH2-CD2 3.49Å; W227-L316 VanDerWaalsContact CH2-CD2 3.49Å; W227-L316 HydrophobicContact CZ2-CD2 3.66Å; W227-L316 HydrophobicContact CZ3-CD2 4.41Å; R288-L316 PolarHBondContact O-N 2.95Å; V289-L316 WeakPolarHBondContact CA-O 3.2Å; V289-L316 HydrophobicContact CG2-CB 4.38Å; V289-L316 HydrophobicContact CG2-CD2 4.31Å; V290-L316 PolarHBondContact N-O 3.19Å; L316-G339 WeakPolarHBondContact CD1-O 3.27Å; L316-M517 HydrophobicContact CD2-SD 4.19Å; L316-V523 HydrophobicContact CB-CG1 4.17Å; L316-V523 HydrophobicContact CB-CG2 4.4Å; L316-V523 HydrophobicContact CD2-CB 4.01Å; L316-V523 HydrophobicContact CD2-CG1 4.24Å; L316-V523 HydrophobicContact CD2-CG2 4.07Å
317	L	95.2	Very high	89.8	Confident	8 Å²	8	43.6 Å²	43.6	4%	0.042	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	129.1	176.3	-55.8	-174.8	0	0	0	109.9	V290 L302 L303 W323 G340 I341	V290-L317 HydrophobicContact CB-CD2 3.95Å; V290-L317 HydrophobicContact CG2-CD2 4.35Å; L302-L317 HydrophobicContact CD2-CD2 4.48Å; L303-L317 HydrophobicContact CD2-CD1 3.96Å; L317-W323 HydrophobicContact CB-CZ2 4.46Å; L317-G340 WeakPolarHBondContact O-CA 3.42Å; L317-I341 PolarHBondContact O-N 3.28Å
318	V	96.4	Very high	89.2	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	110.3	171.5	-179.2	0	0	0	0	107	M218 W227 V289 V290 V291 C292 I341	M218-V318 HydrophobicContact CE-CG1 4.05Å; M218-V318 WeakPolarHBondContact CE-O 3.49Å; W227-V318 HydrophobicContact CH2-CG2 4.48Å; W227-V318 HydrophobicContact CZ3-CG2 3.92Å; V289-V318 HydrophobicContact CG1-CG2 3.86Å; V290-V318 PolarHBondContact O-N 2.98Å; V291-V318 CarbonylContact C-O 3.39Å; V291-V318 WeakPolarHBondContact CA-O 3.44Å; C292-V318 PolarHBondContact N-O 3.36Å; V318-I341 CarbonylContact C-O 3.58Å; V318-I341 VanDerWaalsContact CA-O 3.31Å; V318-I341 WeakPolarHBondContact CA-O 3.44Å; V318-I341 HydrophobicContact CG2-CB 4.46Å
319	G	95.1	Very high	89	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	153.4	-167.8	0	0	0	0	0	116.6	C292 I341 T342 M343	C292-G319 VanDerWaalsContact O-CA 3.31Å; C292-G319 WeakPolarHBondContact O-CA 3.23Å; G319-I341 PolarHBondContact N-O 3.45Å; G319-T342 VanDerWaalsContact O-CA 3.27Å; G319-T342 WeakPolarHBondContact O-CA 3.3Å; G319-T342 PolarHBondContact O-OG1 3.33Å; G319-M343 PolarHBondContact O-N 3.27Å
320	S	94.2	Very high	88.9	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.156	C	C	.	.			trans	-56.4	172	169	58.9	0	0	0	0	113.3	Y239 C292 C294 G322 T342	Y239-S320 WeakPolarHBondContact OH-CB 3.5Å; Y239-S320 PolarHBondContact OH-OG 3.42Å; C292-S320 PolarHBondContact O-N 3.21Å; C292-S320 PolarHBondContact O-OG 3.32Å; C294-S320 PolarHBondContact N-OG 2.81Å; C294-S320 PolarHBondContact O-OG 2.87Å; S320-G322 PolarHBondContact O-N 3.28Å; S320-T342 PolarHBondContact O-OG1 2.78Å; S320-T342 VanDerWaalsContact O-OG1 3.07Å
321	D	90.8	Very high	88.7	Confident	11 Å²	11	30 Å²	30	6%	0.059	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-2.2	179.4	76.6	-49	0	0	0	115.4	Q214 Y239 W323 M343 K412	Q214-D321 VanDerWaalsContact NE2-CG 3.32Å; Q214-D321 PolarHBondContact NE2-OD1 2.96Å; Y239-D321 PolarHBondContact OH-OD1 3.03Å; D321-W323 PolarHBondContact O-N 3.28Å; D321-M343 WeakPolarHBondContact CA-O 3.44Å; D321-M343 WeakPolarHBondContact CB-O 3.34Å; D321-M343 PolarHBondContact N-O 2.94Å; D321-K412 WeakPolarHBondContact OD2-CE 3.43Å; D321-K412 IonicContact OD2-NZ 3.23Å; D321-K412 PolarHBondContact OD2-NZ 3.34Å
322	G	86.6	Confident	88.8	Confident	11 Å²	11	31.4 Å²	31.4	11%	0.113	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-17.4	176	0	0	0	0	0	115.1	Y239 G296 S320 R326	Y239-G322 PolarHBondContact OH-N 2.96Å; G296-G322 WeakPolarHBondContact CA-O 3.46Å; G296-G322 PolarHBondContact N-O 3.27Å; S320-G322 PolarHBondContact O-N 3.28Å; G322-R326 PolarHBondContact O-NH1 3.25Å
323	W	88.7	Confident	89.2	Confident	1 Å²	1	28.7 Å²	28.7	0%	0.004	15%	0.148	C	C	.	.	S	Bend	trans	-135.5	-4.1	176.3	66.4	-67	0	0	0	115.7	V299 L317 D321 D325 R326 V329 V330 T342 Y497	V299-W323 HydrophobicContact CB-CB 4.47Å; V299-W323 HydrophobicContact CB-CG 4.37Å; V299-W323 HydrophobicContact CG1-CB 4.48Å; V299-W323 HydrophobicContact CG1-CD2 4.02Å; V299-W323 HydrophobicContact CG1-CE3 4.4Å; V299-W323 HydrophobicContact CG1-CG 4.06Å; V299-W323 HydrophobicContact CG2-CB 4.44Å; V299-W323 HydrophobicContact CG2-CG 4.1Å; L317-W323 HydrophobicContact CB-CZ2 4.46Å; D321-W323 PolarHBondContact O-N 3.28Å; W323-D325 PolarHBondContact O-N 3.12Å; W323-R326 PolarHBondContact O-N 3.2Å; W323-R326 VanDerWaalsContact O-N 3.13Å; W323-V329 HydrophobicContact CB-CB 4.16Å; W323-V329 HydrophobicContact CB-CG1 3.77Å; W323-V329 HydrophobicContact CB-CG2 4.08Å; W323-V330 HydrophobicContact CE3-CG1 4.13Å; W323-V330 HydrophobicContact CZ3-CG1 4.27Å; W323-T342 HydrophobicContact CD2-CG2 4.43Å; W323-T342 HydrophobicContact CH2-CG2 4.38Å; W323-T342 HydrophobicContact CZ2-CG2 4.28Å; W323-Y497 HydrophobicContact CE3-CE1 4.21Å; W323-Y497 HydrophobicContact CZ3-CE1 4.07Å; W323-Y497 PolarHBondContact O-OH 3.2Å
324	A	83.1	Confident	89.6	Confident	5 Å²	5	30 Å²	30	4%	0.041	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	132.2	174.1	0	0	0	0	0	111.3	R326 T342 M343 K344	A324-R326 PolarHBondContact O-N 2.94Å; A324-T342 HydrophobicContact CB-CG2 3.84Å; A324-M343 WeakPolarHBondContact CB-O 3.29Å; A324-K344 HydrophobicContact CB-CB 4.03Å
325	D	80	Confident	89.7	Confident	28 Å²	28	29.7 Å²	29.7	15%	0.15	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	5.4	-172.5	75	37.4	0	0	0	118.3	W323 Y327 K344 S411	W323-D325 PolarHBondContact O-N 3.12Å; D325-Y327 VanDerWaalsContact O-CD2 3.23Å; D325-Y327 WeakPolarHBondContact O-CD2 3.34Å; D325-Y327 WeakPolarHBondContact O-CE2 3.42Å; D325-Y327 PolarHBondContact O-N 3.4Å; D325-K344 VanDerWaalsContact OD2-CD 3.23Å; D325-K344 WeakPolarHBondContact OD2-CD 3.24Å; D325-K344 WeakPolarHBondContact OD2-CE 3.4Å; D325-K344 IonicContact OD2-NZ 2.68Å; D325-K344 PolarHBondContact OD2-NZ 3.12Å; D325-S411 VanDerWaalsContact CG-CB 3.45Å; D325-S411 WeakPolarHBondContact OD1-CB 3.49Å; D325-S411 PolarHBondContact OD1-OG 2.86Å; D325-S411 WeakPolarHBondContact OD2-CB 3.11Å; D325-S411 PolarHBondContact OD2-OG 3.47Å
326	R	84.7	Confident	89.7	Confident	32 Å²	32	29.9 Å²	29.9	12%	0.121	15%	0.147	C	C	.	.			trans	-88.7	85.7	178.2	-65.8	179.3	67.8	-161.7	2	111.6	Y77 G322 W323 A324 E328 V329	Y77-R326 WeakPolarHBondContact OH-CD 3.47Å; G322-R326 PolarHBondContact O-NH1 3.25Å; W323-R326 PolarHBondContact O-N 3.2Å; W323-R326 VanDerWaalsContact O-N 3.13Å; A324-R326 PolarHBondContact O-N 2.94Å; R326-E328 HydrophobicContact CB-CG 4.22Å; R326-E328 IonicContact CZ-OE1 3.97Å; R326-E328 IonicContact NE-OE1 2.65Å; R326-E328 PolarHBondContact NE-OE1 2.98Å; R326-E328 IonicContact NH2-OE1 2.83Å; R326-E328 PolarHBondContact NH2-OE1 3.28Å; R326-E328 PolarHBondContact O-N 2.78Å; R326-V329 HydrophobicContact CB-CB 4.44Å; R326-V329 HydrophobicContact CB-CG2 3.8Å; R326-V329 WeakPolarHBondContact O-CB 3.45Å; R326-V329 PolarHBondContact O-N 3.45Å
327	Y	84.2	Confident	89.7	Confident	105 Å²	105	29.6 Å²	29.6	41%	0.412	15%	0.145	S	C	.	.	H	α-helix	trans	-53.1	-35.9	174.3	-56.8	-85.9	0	0	0	112.8	D325 V329 V330 E331 D496 Y497	D325-Y327 VanDerWaalsContact O-CD2 3.23Å; D325-Y327 WeakPolarHBondContact O-CD2 3.34Å; D325-Y327 WeakPolarHBondContact O-CE2 3.42Å; D325-Y327 PolarHBondContact O-N 3.4Å; Y327-V329 PolarHBondContact O-N 3.27Å; Y327-V330 WeakPolarHBondContact O-CG2 3.15Å; Y327-V330 PolarHBondContact O-N 2.82Å; Y327-E331 WeakPolarHBondContact O-CB 3.45Å; Y327-E331 PolarHBondContact O-N 2.88Å; Y327-D496 PolarHBondContact OH-OD1 3.37Å; Y327-Y497 HydrophobicContact CD1-CD2 4.23Å; Y327-Y497 HydrophobicContact CD1-CE2 4.28Å; Y327-Y497 AromaticContact CE1-CD2 3.78Å; Y327-Y497 HydrophobicContact CE1-CD2 3.78Å; Y327-Y497 HydrophobicContact CE1-CE2 4.29Å; Y327-Y497 AromaticContact CZ-CD2 3.94Å
328	E	82.8	Confident	89.5	Confident	69 Å²	69	30.7 Å²	30.7	32%	0.322	15%	0.151	S	C	.	.	H	α-helix	trans	-56	-20.9	174.2	60.4	167.2	176.7	0	0	114.7	R300 R326	R300-E328 WeakPolarHBondContact CD-O 3.41Å; R300-E328 PolarHBondContact NE-O 3Å; R300-E328 PolarHBondContact NH1-O 3.21Å; R326-E328 HydrophobicContact CB-CG 4.22Å; R326-E328 IonicContact CZ-OE1 3.97Å; R326-E328 IonicContact NE-OE1 2.65Å; R326-E328 PolarHBondContact NE-OE1 2.98Å; R326-E328 IonicContact NH2-OE1 2.83Å; R326-E328 PolarHBondContact NH2-OE1 3.28Å; R326-E328 PolarHBondContact O-N 2.78Å
329	V	89.4	Confident	89.2	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.006	15%	0.151	C	C	.	.	H	α-helix	trans	-79.1	-41.9	176.6	173	0	0	0	0	111.1	G296 V299 R300 W323 R326 Y327	G296-V329 VanDerWaalsContact O-CG1 3.3Å; G296-V329 WeakPolarHBondContact O-CG1 3.38Å; V299-V329 HydrophobicContact CB-CG1 3.97Å; V299-V329 HydrophobicContact CG1-CG1 3.99Å; R300-V329 HydrophobicContact CB-CG1 4.2Å; R300-V329 WeakPolarHBondContact CB-O 3.39Å; R300-V329 WeakPolarHBondContact CD-O 3.38Å; R300-V329 VanDerWaalsContact CG-O 3.3Å; R300-V329 WeakPolarHBondContact CG-O 3.29Å; R300-V329 PolarHBondContact NH1-O 2.89Å; W323-V329 HydrophobicContact CB-CB 4.16Å; W323-V329 HydrophobicContact CB-CG1 3.77Å; W323-V329 HydrophobicContact CB-CG2 4.08Å; R326-V329 HydrophobicContact CB-CB 4.44Å; R326-V329 HydrophobicContact CB-CG2 3.8Å; R326-V329 WeakPolarHBondContact O-CB 3.45Å; R326-V329 PolarHBondContact O-N 3.45Å; Y327-V329 PolarHBondContact O-N 3.27Å
330	V	91.9	Very high	89.1	Confident	4 Å²	4	30.8 Å²	30.8	2%	0.024	15%	0.152	C	C	.	.	H	α-helix	trans	-96.6	-14.2	-173.2	-64.8	0	0	0	0	113.9	L303 W323 Y327 G332 Y333 E334 A337 L487 Y497	L303-V330 HydrophobicContact CD1-CG1 4.09Å; W323-V330 HydrophobicContact CE3-CG1 4.13Å; W323-V330 HydrophobicContact CZ3-CG1 4.27Å; Y327-V330 WeakPolarHBondContact O-CG2 3.15Å; Y327-V330 PolarHBondContact O-N 2.82Å; V330-G332 PolarHBondContact O-N 3.31Å; V330-G332 VanDerWaalsContact O-N 3.13Å; V330-Y333 CarbonylContact O-C 3.53Å; V330-Y333 WeakPolarHBondContact O-CA 3.47Å; V330-Y333 PolarHBondContact O-N 3.43Å; V330-E334 PolarHBondContact O-N 2.92Å; V330-A337 HydrophobicContact CB-CB 4.47Å; V330-A337 HydrophobicContact CG1-CB 3.84Å; V330-L487 HydrophobicContact CB-CD2 4.41Å; V330-L487 HydrophobicContact CG1-CD2 4.18Å; V330-Y497 WeakPolarHBondContact CG1-OH 3.41Å; V330-Y497 HydrophobicContact CG2-CE2 4.35Å
331	E	89.3	Confident	89.1	Confident	125 Å²	125	30.9 Å²	30.9	58%	0.584	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.3	114.6	-178.1	-176.6	-176.7	-146.7	0	0	112.5	R300 Y327 Y333 E334	R300-E331 VanDerWaalsContact CZ-O 3.26Å; R300-E331 PolarHBondContact NH1-O 3.22Å; R300-E331 PolarHBondContact NH2-O 3.39Å; Y327-E331 WeakPolarHBondContact O-CB 3.45Å; Y327-E331 PolarHBondContact O-N 2.88Å; E331-Y333 WeakPolarHBondContact O-CD2 3.25Å; E331-E334 VanDerWaalsContact CA-OE1 3.26Å; E331-E334 WeakPolarHBondContact CA-OE1 3.44Å
332	G	90.9	Very high	89.4	Confident	31 Å²	31	30.4 Å²	30.4	32%	0.32	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	8.1	-176.6	0	0	0	0	0	116.1	R307 V330 E334	R307-G332 PolarHBondContact NH1-O 2.85Å; V330-G332 PolarHBondContact O-N 3.31Å; V330-G332 VanDerWaalsContact O-N 3.13Å; G332-E334 VanDerWaalsContact C-OE2 3.31Å; G332-E334 VanDerWaalsContact CA-OE2 3.25Å; G332-E334 WeakPolarHBondContact CA-OE2 3.49Å; G332-E334 PolarHBondContact N-OE1 2.72Å; G332-E334 PolarHBondContact N-OE2 3.27Å
333	Y	93.8	Very high	89.6	Confident	52 Å²	52	30 Å²	30	20%	0.204	15%	0.145	C	C	.	.			trans	-141.2	21.5	178	-53.6	-83.7	0	0	0	112.4	L303 M304 R307 V330 E331 E335 E336 A337	L303-Y333 HydrophobicContact CB-CG 4.3Å; M304-Y333 HydrophobicContact CB-CE1 4.22Å; M304-Y333 HydrophobicContact CE-CE2 3.67Å; M304-Y333 HydrophobicContact CG-CD1 4.19Å; M304-Y333 HydrophobicContact CG-CD2 4.43Å; M304-Y333 HydrophobicContact CG-CE1 3.58Å; M304-Y333 HydrophobicContact CG-CE2 3.85Å; R307-Y333 HydrophobicContact CB-CD1 4.03Å; R307-Y333 HydrophobicContact CB-CE1 4.23Å; R307-Y333 HydrophobicContact CG-CD1 4.48Å; V330-Y333 CarbonylContact O-C 3.53Å; V330-Y333 WeakPolarHBondContact O-CA 3.47Å; V330-Y333 PolarHBondContact O-N 3.43Å; E331-Y333 WeakPolarHBondContact O-CD2 3.25Å; Y333-E335 VanDerWaalsContact C-N 3.27Å; Y333-E335 PolarHBondContact O-N 3.33Å; Y333-E336 WeakPolarHBondContact CA-OE2 3.46Å; Y333-E336 PolarHBondContact O-N 2.9Å; Y333-E336 VanDerWaalsContact O-N 3.1Å; Y333-A337 PolarHBondContact O-N 2.65Å; Y333-A337 VanDerWaalsContact O-N 3.13Å
334	E	91.7	Very high	89.7	Confident	54 Å²	54	31.9 Å²	31.9	25%	0.252	15%	0.153	S	C	.	.	H	α-helix	trans	-62.9	-36.7	-175.5	-56.2	84.1	170.6	0	0	111.2	V330 E331 G332 E336 A337 E338 F495	V330-E334 PolarHBondContact O-N 2.92Å; E331-E334 VanDerWaalsContact CA-OE1 3.26Å; E331-E334 WeakPolarHBondContact CA-OE1 3.44Å; G332-E334 VanDerWaalsContact C-OE2 3.31Å; G332-E334 VanDerWaalsContact CA-OE2 3.25Å; G332-E334 WeakPolarHBondContact CA-OE2 3.49Å; G332-E334 PolarHBondContact N-OE1 2.72Å; G332-E334 PolarHBondContact N-OE2 3.27Å; E334-E336 VanDerWaalsContact C-N 3.27Å; E334-E336 PolarHBondContact O-N 2.87Å; E334-A337 CarbonylContact O-C 3.57Å; E334-A337 PolarHBondContact O-N 2.04Å; E334-A337 VanDerWaalsContact O-N 3.16Å; E334-E338 PolarHBondContact O-N 2.78Å; E334-F495 HydrophobicContact CB-CB 3.92Å; E334-F495 HydrophobicContact CB-CD1 4.13Å; E334-F495 HydrophobicContact CB-CD2 3.41Å; E334-F495 VanDerWaalsContact CB-CD2 3.41Å; E334-F495 HydrophobicContact CB-CE2 3.89Å; E334-F495 HydrophobicContact CB-CG 3.55Å; E334-F495 HydrophobicContact CB-CZ 4.42Å; E334-F495 HydrophobicContact CG-CB 4.17Å; E334-F495 HydrophobicContact CG-CD2 4.12Å; E334-F495 HydrophobicContact CG-CG 4.29Å
335	E	89.8	Confident	90	Very high	62 Å²	62	32 Å²	32	29%	0.29	15%	0.153	S	C	.	.	H	α-helix	trans	-61	-30.4	174.2	-67.1	-159.3	114.8	0	0	114	R307 R312 Y333 F495	R307-E335 IonicContact NH2-OE2 2.89Å; R307-E335 PolarHBondContact NH2-OE2 2.88Å; R307-E335 VanDerWaalsContact NH2-OE2 3.13Å; R312-E335 WeakPolarHBondContact CG-O 3.5Å; R312-E335 IonicContact CZ-OE1 3.5Å; R312-E335 PolarHBondContact NE-O 2.71Å; R312-E335 IonicContact NH1-OE1 2.62Å; R312-E335 PolarHBondContact NH1-OE1 3.49Å; R312-E335 IonicContact NH1-OE2 3.91Å; R312-E335 IonicContact NH2-OE1 3.41Å; R312-E335 PolarHBondContact NH2-OE1 3.25Å; Y333-E335 VanDerWaalsContact C-N 3.27Å; Y333-E335 PolarHBondContact O-N 3.33Å; E335-F495 HydrophobicContact CG-CZ 4.32Å
336	E	92.3	Very high	90.4	Very high	19 Å²	19	34 Å²	34	9%	0.089	16%	0.162	C	C	.	.	H	α-helix	trans	-89.1	-19	176.5	-70.1	87.3	-164	0	0	112.9	L303 M306 R307 Y333 E334	L303-E336 HydrophobicContact CD2-CB 4.11Å; M306-E336 HydrophobicContact CB-CB 4.31Å; M306-E336 HydrophobicContact CB-CG 4.24Å; M306-E336 HydrophobicContact CE-CB 4.4Å; M306-E336 VanDerWaalsContact CE-O 3.3Å; M306-E336 WeakPolarHBondContact CE-O 3.23Å; R307-E336 HydrophobicContact CB-CG 4.08Å; R307-E336 WeakPolarHBondContact CB-OE1 3.37Å; R307-E336 WeakPolarHBondContact CD-OE1 3.16Å; R307-E336 WeakPolarHBondContact CD-OE2 3.37Å; R307-E336 WeakPolarHBondContact CG-OE1 3.24Å; R307-E336 IonicContact CZ-OE1 2.7Å; R307-E336 IonicContact CZ-OE2 3.5Å; R307-E336 IonicContact NE-OE1 3.56Å; R307-E336 PolarHBondContact NE-OE1 3.33Å; R307-E336 IonicContact NE-OE2 3.75Å; R307-E336 PolarHBondContact NE-OE2 3.05Å; Y333-E336 WeakPolarHBondContact CA-OE2 3.46Å; Y333-E336 PolarHBondContact O-N 2.9Å; Y333-E336 VanDerWaalsContact O-N 3.1Å; E334-E336 VanDerWaalsContact C-N 3.27Å; E334-E336 PolarHBondContact O-N 2.87Å
337	A	92.3	Very high	90.5	Very high	2 Å²	2	33.4 Å²	33.4	2%	0.017	16%	0.162	C	C	.	.	H	α-helix	trans	-95.4	-9.2	177.3	0	0	0	0	0	113.9	L303 V330 Y333 E334 G339 G340 L487	L303-A337 HydrophobicContact CD1-CB 3.9Å; L303-A337 HydrophobicContact CD2-CB 3.76Å; V330-A337 HydrophobicContact CB-CB 4.47Å; V330-A337 HydrophobicContact CG1-CB 3.84Å; Y333-A337 PolarHBondContact O-N 2.65Å; Y333-A337 VanDerWaalsContact O-N 3.13Å; E334-A337 CarbonylContact O-C 3.57Å; E334-A337 PolarHBondContact O-N 2.04Å; E334-A337 VanDerWaalsContact O-N 3.16Å; A337-G339 PolarHBondContact O-N 3.15Å; A337-G340 PolarHBondContact O-N 3.46Å; A337-L487 HydrophobicContact CB-CD2 3.48Å; A337-L487 VanDerWaalsContact CB-CD2 3.48Å
338	E	91.1	Very high	90.6	Very high	32 Å²	32	34.2 Å²	34.2	15%	0.15	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	129.7	-177.1	-175	-178.4	178.5	0	0	113.1	R312 E334 G340 F495 W516	R312-E338 IonicContact NH2-OE2 2.71Å; E334-E338 PolarHBondContact O-N 2.78Å; E338-G340 PolarHBondContact O-N 3.18Å; E338-F495 HydrophobicContact CB-CE1 4.06Å; E338-F495 HydrophobicContact CG-CE1 3.95Å; E338-W516 PolarHBondContact OE1-NE1 3.27Å
339	G	90.3	Very high	91	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.01	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	-2.6	-178.1	0	0	0	0	0	114.6	L316 A337 N486 L487 W516	L316-G339 WeakPolarHBondContact CD1-O 3.27Å; A337-G339 PolarHBondContact O-N 3.15Å; G339-N486 VanDerWaalsContact C-ND2 3.28Å; G339-N486 PolarHBondContact O-ND2 3.05Å; G339-L487 WeakPolarHBondContact CA-O 3.19Å; G339-L487 PolarHBondContact N-O 3.13Å; G339-W516 WeakPolarHBondContact CA-O 3.46Å
340	G	93.3	Very high	91.2	Very high	2 Å²	2	36 Å²	36	2%	0.021	19%	0.185	C	C	.	.			trans	-58.3	141.7	173.7	0	0	0	0	0	112.6	L317 A337 E338 N486 L487	L317-G340 WeakPolarHBondContact O-CA 3.42Å; A337-G340 PolarHBondContact O-N 3.46Å; E338-G340 PolarHBondContact O-N 3.18Å; G340-N486 WeakPolarHBondContact O-CA 3.37Å; G340-N486 PolarHBondContact O-ND2 3.3Å; G340-L487 PolarHBondContact O-N 3.46Å; G340-L487 VanDerWaalsContact O-N 3.11Å
341	I	95.3	Very high	91.2	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	134.4	178.7	-56.4	173.8	0	0	0	108.3	W227 L317 V318 G319 I484 L515	W227-I341 HydrophobicContact CH2-CD1 4.31Å; L317-I341 PolarHBondContact O-N 3.28Å; V318-I341 CarbonylContact C-O 3.58Å; V318-I341 VanDerWaalsContact CA-O 3.31Å; V318-I341 WeakPolarHBondContact CA-O 3.44Å; V318-I341 HydrophobicContact CG2-CB 4.46Å; G319-I341 PolarHBondContact N-O 3.45Å; I341-I484 HydrophobicContact CG2-CG2 3.88Å; I341-L515 HydrophobicContact CD1-CD1 4.06Å; I341-L515 HydrophobicContact CG1-CD1 4.2Å
342	T	95.3	Very high	91.4	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	167.6	175.5	-174.8	0	0	0	0	110.3	G319 S320 W323 A324 M485 Y497	G319-T342 VanDerWaalsContact O-CA 3.27Å; G319-T342 WeakPolarHBondContact O-CA 3.3Å; G319-T342 PolarHBondContact O-OG1 3.33Å; S320-T342 PolarHBondContact O-OG1 2.78Å; S320-T342 VanDerWaalsContact O-OG1 3.07Å; W323-T342 HydrophobicContact CD2-CG2 4.43Å; W323-T342 HydrophobicContact CH2-CG2 4.38Å; W323-T342 HydrophobicContact CZ2-CG2 4.28Å; A324-T342 HydrophobicContact CB-CG2 3.84Å; T342-M485 HydrophobicContact CG2-CB 4.04Å; T342-M485 PolarHBondContact N-O 3.01Å; T342-M485 PolarHBondContact O-N 3.04Å; T342-Y497 HydrophobicContact CG2-CD1 4.33Å; T342-Y497 HydrophobicContact CG2-CE1 4.04Å
343	M	92.1	Very high	91.6	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	131.3	-176.1	53.8	-175.1	59.2	0	0	111.5	Q214 A217 M218 I221 G319 D321 A324 D483 I484	Q214-M343 HydrophobicContact CB-SD 4.45Å; Q214-M343 HydrophobicContact CG-CG 4.13Å; Q214-M343 HydrophobicContact CG-SD 3.36Å; Q214-M343 WeakPolarHBondContact CG-SD 3.24Å; A217-M343 HydrophobicContact CB-CE 3.92Å; A217-M343 HydrophobicContact CB-SD 4.1Å; M218-M343 HydrophobicContact CB-CE 4.28Å; M218-M343 HydrophobicContact CG-CE 3.39Å; M218-M343 HydrophobicContact CG-SD 3.78Å; I221-M343 HydrophobicContact CD1-CE 3.58Å; G319-M343 PolarHBondContact O-N 3.27Å; D321-M343 WeakPolarHBondContact CA-O 3.44Å; D321-M343 WeakPolarHBondContact CB-O 3.34Å; D321-M343 PolarHBondContact N-O 2.94Å; A324-M343 WeakPolarHBondContact CB-O 3.29Å; M343-D483 CarbonylContact C-O 3.5Å; M343-D483 WeakPolarHBondContact CA-O 3.47Å; M343-I484 HydrophobicContact CB-CD1 3.95Å; M343-I484 HydrophobicContact CE-CD1 4.29Å
344	K	90.3	Very high	91.7	Very high	41 Å²	41	36.7 Å²	36.7	18%	0.178	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	141.3	-179.1	167.1	178.9	179.7	151.8	0	109.1	A324 D325 Q346 Y482 D483 M485	A324-K344 HydrophobicContact CB-CB 4.03Å; D325-K344 VanDerWaalsContact OD2-CD 3.23Å; D325-K344 WeakPolarHBondContact OD2-CD 3.24Å; D325-K344 WeakPolarHBondContact OD2-CE 3.4Å; D325-K344 IonicContact OD2-NZ 2.68Å; D325-K344 PolarHBondContact OD2-NZ 3.12Å; K344-Q346 PolarHBondContact O-N 2.83Å; K344-Y482 CarbonylContact O-C 3.5Å; K344-Y482 WeakPolarHBondContact O-CA 3.49Å; K344-D483 HydrophobicContact CB-CB 4.33Å; K344-D483 PolarHBondContact N-O 2.65Å; K344-D483 PolarHBondContact O-N 3.04Å; K344-M485 HydrophobicContact CB-CG 3.97Å
345	L	89.4	Confident	91.8	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.031	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	118.9	165.5	-72.8	169.7	0	0	0	109.4	V208 P209 S347 K412 F415 Y482	V208-L345 HydrophobicContact CB-CD1 4.25Å; V208-L345 HydrophobicContact CG1-CD1 3.93Å; P209-L345 HydrophobicContact CG-CD2 3.5Å; L345-S347 WeakPolarHBondContact O-CB 3.48Å; L345-S347 PolarHBondContact O-N 2.85Å; L345-K412 HydrophobicContact CD1-CD 4.47Å; L345-F415 HydrophobicContact CB-CE2 3.55Å; L345-F415 HydrophobicContact CB-CZ 3.76Å; L345-F415 HydrophobicContact CD1-CE2 4.23Å; L345-F415 HydrophobicContact CG-CE2 4.49Å; L345-Y482 HydrophobicContact CD2-CD1 3.91Å; L345-Y482 HydrophobicContact CD2-CE1 3.46Å; L345-Y482 VanDerWaalsContact CD2-CE1 3.46Å; L345-Y482 HydrophobicContact CG-CE1 4.33Å
346	Q	88.9	Confident	92.1	Very high	72 Å²	72	38 Å²	38	34%	0.336	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-63.3	122.8	-173.4	-177.9	169.1	82.5	0	0	110.9	K344 F415 R481 D483	K344-Q346 PolarHBondContact O-N 2.83Å; Q346-F415 WeakPolarHBondContact O-CZ 3.48Å; Q346-R481 HydrophobicContact CB-CB 3.85Å; Q346-R481 PolarHBondContact N-O 2.76Å; Q346-R481 VanDerWaalsContact N-O 3.08Å; Q346-D483 WeakPolarHBondContact CA-OD2 3.39Å; Q346-D483 PolarHBondContact NE2-OD1 2.82Å
347	S	86.3	Confident	92.3	Very high	18 Å²	18	37.1 Å²	37.1	13%	0.126	19%	0.188	C	C	.	.			trans	-160	122	-165.1	173.4	0	0	0	0	109.8	L345 S411	L345-S347 WeakPolarHBondContact O-CB 3.48Å; L345-S347 PolarHBondContact O-N 2.85Å; S347-S411 VanDerWaalsContact CB-O 3.29Å; S347-S411 WeakPolarHBondContact CB-O 3.43Å; S347-S411 PolarHBondContact OG-O 2.96Å
348	E	86.7	Confident	92.4	Very high	123 Å²	123	38.4 Å²	38.4	58%	0.575	20%	0.195	S	C	*	.			trans	-80.5	153.9	179	-78.8	-160.5	-178	0	0	113.7	V350 S466	E348-V350 PolarHBondContact O-N 2.93Å; E348-S466 PolarHBondContact N-OG 2.85Å
349	V	89.8	Confident	92.6	Very high	91 Å²	91	43.2 Å²	43.2	55%	0.552	22%	0.215	S	C	*	.			trans	-71	115.4	176.2	179.5	0	0	0	0	110.3	K351	V349-K351 PolarHBondContact O-N 2.96Å
350	V	93.9	Very high	92.7	Very high	15 Å²	15	44 Å²	44	9%	0.091	22%	0.219	C	C	.	.			trans	-80.3	81.6	-173	-171.8	0	0	0	0	110.7	E348 S352 F353 D354 Q409 I417 V465	E348-V350 PolarHBondContact O-N 2.93Å; V350-S352 PolarHBondContact O-N 2.04Å; V350-F353 HydrophobicContact CB-CB 4.32Å; V350-F353 HydrophobicContact CG1-CB 4.19Å; V350-F353 WeakPolarHBondContact O-CA 3.41Å; V350-F353 WeakPolarHBondContact O-CB 3.31Å; V350-F353 PolarHBondContact O-N 2.99Å; V350-D354 PolarHBondContact O-N 3.4Å; V350-Q409 PolarHBondContact O-NE2 2.84Å; V350-I417 HydrophobicContact CB-CD1 4.4Å; V350-I417 HydrophobicContact CG1-CD1 3.88Å; V350-I417 HydrophobicContact CG2-CD1 4.29Å; V350-V465 HydrophobicContact CG2-CB 4.49Å; V350-V465 HydrophobicContact CG2-CG2 4.07Å
351	K	93.3	Very high	92.6	Very high	155 Å²	155	47.8 Å²	47.8	67%	0.674	23%	0.233	S	C	*	.	H	α-helix	trans	-50	-35.6	-175.3	-67.9	166.1	-174.5	159.1	0	114.7	V349 F353 D354 D355	V349-K351 PolarHBondContact O-N 2.96Å; K351-F353 VanDerWaalsContact C-N 3.27Å; K351-F353 PolarHBondContact O-N 3.41Å; K351-D354 WeakPolarHBondContact CA-OD2 3.28Å; K351-D354 WeakPolarHBondContact O-CB 3.25Å; K351-D354 PolarHBondContact O-N 2.71Å; K351-D355 PolarHBondContact O-N 2.73Å
352	S	92.8	Very high	92.2	Very high	45 Å²	45	49.9 Å²	49.9	32%	0.315	24%	0.244	S	C	.	.	H	α-helix	trans	-65.7	-29.3	176.8	56.1	0	0	0	0	113.3	R91 V350 Y356	R91-S352 PolarHBondContact NH1-OG 3.21Å; V350-S352 PolarHBondContact O-N 2.04Å; S352-Y356 PolarHBondContact O-N 2.99Å
353	F	95.6	Very high	91.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-74.5	-40.1	173.1	178.4	-107.8	0	0	0	111.3	Q80 E83 A84 V350 K351 D355 Y356 Y357 Q409 M413	Q80-F353 HydrophobicContact CB-CE1 4.07Å; Q80-F353 HydrophobicContact CB-CZ 3.95Å; Q80-F353 HydrophobicContact CG-CE1 4.36Å; Q80-F353 HydrophobicContact CG-CZ 4.43Å; Q80-F353 VanDerWaalsContact O-CZ 3.27Å; Q80-F353 WeakPolarHBondContact O-CZ 3.42Å; E83-F353 HydrophobicContact CB-CE2 4.05Å; E83-F353 HydrophobicContact CB-CZ 4.32Å; A84-F353 HydrophobicContact CB-CD2 3.8Å; A84-F353 HydrophobicContact CB-CE2 3.63Å; A84-F353 HydrophobicContact CB-CG 4.48Å; A84-F353 HydrophobicContact CB-CZ 4.17Å; V350-F353 HydrophobicContact CB-CB 4.32Å; V350-F353 HydrophobicContact CG1-CB 4.19Å; V350-F353 WeakPolarHBondContact O-CA 3.41Å; V350-F353 WeakPolarHBondContact O-CB 3.31Å; V350-F353 PolarHBondContact O-N 2.99Å; K351-F353 VanDerWaalsContact C-N 3.27Å; K351-F353 PolarHBondContact O-N 3.41Å; F353-D355 VanDerWaalsContact C-N 3.32Å; F353-D355 PolarHBondContact O-N 2.65Å; F353-Y356 HydrophobicContact CD2-CD1 4.15Å; F353-Y356 HydrophobicContact CE2-CD1 4.1Å; F353-Y356 PolarHBondContact O-N 3.48Å; F353-Y356 VanDerWaalsContact O-N 3.09Å; F353-Y357 HydrophobicContact CE1-CD2 4.24Å; F353-Y357 HydrophobicContact CE1-CG 4.11Å; F353-Y357 HydrophobicContact CE2-CD2 4.16Å; F353-Y357 HydrophobicContact CE2-CG 4.47Å; F353-Y357 AromaticContact CZ-CD2 3.53Å; F353-Y357 HydrophobicContact CZ-CD2 3.53Å; F353-Y357 HydrophobicContact CZ-CE2 4.35Å; F353-Y357 AromaticContact CZ-CG 3.81Å; F353-Y357 HydrophobicContact CZ-CG 3.81Å; F353-Y357 VanDerWaalsContact O-CB 3.29Å; F353-Y357 WeakPolarHBondContact O-CB 3.34Å; F353-Y357 PolarHBondContact O-N 2.88Å; F353-Q409 HydrophobicContact CD1-CG 4.39Å; F353-M413 HydrophobicContact CD1-CE 4.21Å; F353-M413 HydrophobicContact CD1-CG 4.4Å; F353-M413 HydrophobicContact CE1-CE 3.73Å; F353-M413 HydrophobicContact CZ-CE 4Å
354	D	94.9	Very high	91.5	Very high	27 Å²	27	63 Å²	63	14%	0.144	31%	0.306	C	S	.	.	H	α-helix	trans	-57.3	-48.5	173.4	-55.8	-34	0	0	0	110.8	V350 K351 Y356 Y357 L358 Y407 Q409	V350-D354 PolarHBondContact O-N 3.4Å; K351-D354 WeakPolarHBondContact CA-OD2 3.28Å; K351-D354 WeakPolarHBondContact O-CB 3.25Å; K351-D354 PolarHBondContact O-N 2.71Å; D354-Y356 PolarHBondContact O-N 2.84Å; D354-Y357 PolarHBondContact O-N 2.81Å; D354-L358 HydrophobicContact CB-CD1 4.26Å; D354-L358 VanDerWaalsContact O-CB 3.26Å; D354-L358 WeakPolarHBondContact O-CB 3.44Å; D354-L358 VanDerWaalsContact O-CG 3.23Å; D354-L358 WeakPolarHBondContact O-CG 3.37Å; D354-L358 PolarHBondContact O-N 3.4Å; D354-Y407 VanDerWaalsContact OD1-CE1 3.24Å; D354-Y407 WeakPolarHBondContact OD1-CE1 3.42Å; D354-Y407 PolarHBondContact OD1-OH 3Å; D354-Q409 PolarHBondContact OD1-NE2 3.29Å
355	D	95.3	Very high	91.5	Very high	101 Å²	101	61.6 Å²	61.6	54%	0.54	30%	0.301	S	S	.	.	H	α-helix	trans	-58.5	-31.9	177	-108.9	-43.2	0	0	0	112.5	K351 F353 K359	K351-D355 PolarHBondContact O-N 2.73Å; F353-D355 VanDerWaalsContact C-N 3.32Å; F353-D355 PolarHBondContact O-N 2.65Å; D355-K359 VanDerWaalsContact O-CD 3.28Å; D355-K359 WeakPolarHBondContact O-CD 3.44Å; D355-K359 WeakPolarHBondContact O-CE 3.05Å; D355-K359 VanDerWaalsContact O-CG 3.25Å; D355-K359 WeakPolarHBondContact O-CG 3.44Å; D355-K359 PolarHBondContact O-NZ 2.87Å; D355-K359 IonicContact OD1-NZ 3.77Å; D355-K359 PolarHBondContact OD1-NZ 3.19Å
356	Y	95.8	Very high	91.4	Very high	43 Å²	43	67.6 Å²	67.6	17%	0.169	34%	0.338	C	S	.	.	H	α-helix	trans	-79.9	-56.7	175.6	168.6	-103.3	0	0	0	111.8	E83 H87 S352 F353 D354 L358 K359 L360 R367	E83-Y356 HydrophobicContact CB-CE1 4.14Å; E83-Y356 PolarHBondContact OE2-OH 2.68Å; E83-Y356 VanDerWaalsContact OE2-OH 3.05Å; H87-Y356 HydrophobicContact CB-CD1 3.66Å; H87-Y356 HydrophobicContact CB-CD2 4.44Å; H87-Y356 HydrophobicContact CB-CE1 3.77Å; H87-Y356 HydrophobicContact CB-CG 4.02Å; H87-Y356 AromaticContact CG-CD1 3.81Å; H87-Y356 AromaticContact CG-CG 3.69Å; H87-Y356 AromaticContact ND1-CD2 3.59Å; H87-Y356 AromaticContact ND1-CG 3.53Å; S352-Y356 PolarHBondContact O-N 2.99Å; F353-Y356 HydrophobicContact CD2-CD1 4.15Å; F353-Y356 HydrophobicContact CE2-CD1 4.1Å; F353-Y356 PolarHBondContact O-N 3.48Å; F353-Y356 VanDerWaalsContact O-N 3.09Å; D354-Y356 PolarHBondContact O-N 2.84Å; Y356-L358 PolarHBondContact O-N 2.9Å; Y356-K359 PolarHBondContact O-N 2.68Å; Y356-K359 VanDerWaalsContact O-N 3.13Å; Y356-L360 HydrophobicContact CE1-CD1 4.14Å; Y356-L360 HydrophobicContact CE1-CD2 4.29Å; Y356-L360 HydrophobicContact CE1-CG 4.45Å; Y356-L360 HydrophobicContact CE2-CD2 4.15Å; Y356-R367 PolarHBondContact OH-NH2 3.31Å
357	Y	95.8	Very high	91.5	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.1	-44	-171.3	-173	-100.2	0	0	0	112.3	I79 Q80 E83 F353 D354 K359 L360 F374 L403 Y407	I79-Y357 HydrophobicContact CG2-CE2 4.46Å; Q80-Y357 HydrophobicContact CB-CE2 4.5Å; Q80-Y357 HydrophobicContact CG-CD2 4.47Å; Q80-Y357 HydrophobicContact CG-CE1 4.16Å; Q80-Y357 HydrophobicContact CG-CE2 3.86Å; E83-Y357 HydrophobicContact CB-CD2 4.09Å; E83-Y357 HydrophobicContact CB-CE2 4.36Å; E83-Y357 HydrophobicContact CG-CD2 4.22Å; E83-Y357 HydrophobicContact CG-CE2 4.14Å; F353-Y357 HydrophobicContact CE1-CD2 4.24Å; F353-Y357 HydrophobicContact CE1-CG 4.11Å; F353-Y357 HydrophobicContact CE2-CD2 4.16Å; F353-Y357 HydrophobicContact CE2-CG 4.47Å; F353-Y357 AromaticContact CZ-CD2 3.53Å; F353-Y357 HydrophobicContact CZ-CD2 3.53Å; F353-Y357 HydrophobicContact CZ-CE2 4.35Å; F353-Y357 AromaticContact CZ-CG 3.81Å; F353-Y357 HydrophobicContact CZ-CG 3.81Å; F353-Y357 VanDerWaalsContact O-CB 3.29Å; F353-Y357 WeakPolarHBondContact O-CB 3.34Å; F353-Y357 PolarHBondContact O-N 2.88Å; D354-Y357 PolarHBondContact O-N 2.81Å; Y357-K359 PolarHBondContact O-N 2.71Å; Y357-L360 HydrophobicContact CD2-CD1 3.77Å; Y357-L360 HydrophobicContact CE2-CD1 4.25Å; Y357-L360 HydrophobicContact CG-CD1 4.44Å; Y357-L360 VanDerWaalsContact O-CB 3.25Å; Y357-L360 WeakPolarHBondContact O-CB 3.47Å; Y357-L360 WeakPolarHBondContact O-CG 3.06Å; Y357-L360 PolarHBondContact O-N 2.93Å; Y357-F374 WeakPolarHBondContact OH-CE1 3.49Å; Y357-F374 WeakPolarHBondContact OH-CZ 3.05Å; Y357-L403 HydrophobicContact CD1-CD1 4.21Å; Y357-L403 HydrophobicContact CE1-CB 4.32Å; Y357-L403 HydrophobicContact CE1-CD1 3.9Å; Y357-L403 HydrophobicContact CE1-CG 4.48Å; Y357-L403 WeakPolarHBondContact O-CD1 3.37Å; Y357-Y407 HydrophobicContact CD1-CD2 4.07Å; Y357-Y407 AromaticContact CD1-CE2 3.44Å; Y357-Y407 HydrophobicContact CD1-CE2 3.44Å; Y357-Y407 VanDerWaalsContact CD1-CE2 3.44Å; Y357-Y407 HydrophobicContact CE1-CD2 4.07Å; Y357-Y407 AromaticContact CE1-CE2 3.64Å; Y357-Y407 HydrophobicContact CE1-CE2 3.64Å; Y357-Y407 HydrophobicContact CG-CE2 4.48Å
358	L	94.9	Very high	91.9	Very high	29 Å²	29	67 Å²	67	15%	0.152	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-19	-179.7	-63.9	172.2	0	0	0	113.2	D354 Y356 L403 Y407	D354-L358 HydrophobicContact CB-CD1 4.26Å; D354-L358 VanDerWaalsContact O-CB 3.26Å; D354-L358 WeakPolarHBondContact O-CB 3.44Å; D354-L358 VanDerWaalsContact O-CG 3.23Å; D354-L358 WeakPolarHBondContact O-CG 3.37Å; D354-L358 PolarHBondContact O-N 3.4Å; Y356-L358 PolarHBondContact O-N 2.9Å; L358-L403 HydrophobicContact CD2-CB 4.16Å; L358-L403 WeakPolarHBondContact CD2-O 3.31Å; L358-Y407 HydrophobicContact CD2-CD1 4.23Å; L358-Y407 HydrophobicContact CD2-CD2 3.95Å; L358-Y407 HydrophobicContact CD2-CG 3.8Å
359	K	94.3	Very high	92.2	Very high	134 Å²	134	62.9 Å²	62.9	58%	0.583	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-7.3	174.7	-63.5	-174.3	-172.5	89.9	0	113.1	D355 Y356 Y357	D355-K359 VanDerWaalsContact O-CD 3.28Å; D355-K359 WeakPolarHBondContact O-CD 3.44Å; D355-K359 WeakPolarHBondContact O-CE 3.05Å; D355-K359 VanDerWaalsContact O-CG 3.25Å; D355-K359 WeakPolarHBondContact O-CG 3.44Å; D355-K359 PolarHBondContact O-NZ 2.87Å; D355-K359 IonicContact OD1-NZ 3.77Å; D355-K359 PolarHBondContact OD1-NZ 3.19Å; Y356-K359 PolarHBondContact O-N 2.68Å; Y356-K359 VanDerWaalsContact O-N 3.13Å; Y357-K359 PolarHBondContact O-N 2.71Å
360	L	93.4	Very high	92.5	Very high	18 Å²	18	58.9 Å²	58.9	9%	0.094	29%	0.289	C	S	.	.			trans	-65.4	144.4	177.3	-66.3	176.5	0	0	0	112.2	E83 Y356 Y357 F371 L403	E83-L360 HydrophobicContact CB-CD1 4.37Å; E83-L360 HydrophobicContact CG-CD1 3.79Å; Y356-L360 HydrophobicContact CE1-CD1 4.14Å; Y356-L360 HydrophobicContact CE1-CD2 4.29Å; Y356-L360 HydrophobicContact CE1-CG 4.45Å; Y356-L360 HydrophobicContact CE2-CD2 4.15Å; Y357-L360 HydrophobicContact CD2-CD1 3.77Å; Y357-L360 HydrophobicContact CE2-CD1 4.25Å; Y357-L360 HydrophobicContact CG-CD1 4.44Å; Y357-L360 VanDerWaalsContact O-CB 3.25Å; Y357-L360 WeakPolarHBondContact O-CB 3.47Å; Y357-L360 WeakPolarHBondContact O-CG 3.06Å; Y357-L360 PolarHBondContact O-N 2.93Å; L360-F371 HydrophobicContact CB-CE2 4.28Å; L360-F371 HydrophobicContact CB-CZ 3.78Å; L360-F371 HydrophobicContact CD1-CE2 3.94Å; L360-F371 HydrophobicContact CD1-CZ 4.3Å; L360-L403 HydrophobicContact CB-CD1 4.13Å
361	R	90.5	Very high	92.5	Very high	80 Å²	80	58.2 Å²	58.2	30%	0.302	29%	0.285	S	S	.	.			trans	-143.9	147.9	176.9	-61.4	-67.5	174.4	148.8	2.9	109.7	D363 K364 N365 K400 E401	R361-D363 VanDerWaalsContact C-N 3.26Å; R361-D363 WeakPolarHBondContact CB-OD1 3.38Å; R361-D363 PolarHBondContact O-N 2.96Å; R361-K364 PolarHBondContact O-N 2.88Å; R361-N365 PolarHBondContact O-N 2.76Å; R361-N365 VanDerWaalsContact O-N 3.09Å; R361-K400 PolarHBondContact NH1-O 2.79Å; R361-E401 PolarHBondContact NH1-O 3.18Å
362	L	87.8	Confident	92.4	Very high	46 Å²	46	51.3 Å²	51.3	24%	0.241	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-32.4	-175.2	179.2	66.1	0	0	0	114	K364 F371 A372 W375 L383	L362-K364 VanDerWaalsContact C-N 3.3Å; L362-K364 PolarHBondContact O-N 3.38Å; L362-F371 HydrophobicContact CD1-CD1 4.36Å; L362-A372 HydrophobicContact CD1-CB 3.64Å; L362-W375 HydrophobicContact CB-CD2 4.16Å; L362-W375 HydrophobicContact CB-CE3 4.47Å; L362-W375 HydrophobicContact CB-CG 4.41Å; L362-W375 HydrophobicContact CD1-CB 4.26Å; L362-W375 HydrophobicContact CD1-CG 4.45Å; L362-W375 HydrophobicContact CD2-CG 4.25Å; L362-L383 HydrophobicContact CD1-CD1 4.15Å; L362-L383 HydrophobicContact CD2-CD1 3.61Å; L362-L383 HydrophobicContact CD2-CD2 3.37Å; L362-L383 HydrophobicContact CD2-CG 4.13Å; L362-L383 HydrophobicContact CG-CD1 4.5Å
363	D	83.9	Confident	92.4	Very high	124 Å²	124	52.7 Å²	52.7	66%	0.663	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-20.2	177.8	63.7	-49.8	0	0	0	113.6	R361	R361-D363 VanDerWaalsContact C-N 3.26Å; R361-D363 WeakPolarHBondContact CB-OD1 3.38Å; R361-D363 PolarHBondContact O-N 2.96Å
364	K	87.3	Confident	92.3	Very high	154 Å²	154	52.8 Å²	52.8	67%	0.67	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-33.2	-174.5	-63	-177.4	-177	-179.5	0	113.6	R361 L362 T366	R361-K364 PolarHBondContact O-N 2.88Å; L362-K364 VanDerWaalsContact C-N 3.3Å; L362-K364 PolarHBondContact O-N 3.38Å; K364-T366 PolarHBondContact O-N 3.38Å
365	N	90.3	Very high	92.1	Very high	13 Å²	13	51.7 Å²	51.7	7%	0.07	25%	0.252	C	S	.	.			trans	-88.2	84.1	-177.2	-169.9	2	0	0	0	111.8	E83 R361 R367 N368 F371	E83-N365 VanDerWaalsContact CD-ND2 3.29Å; E83-N365 PolarHBondContact OE1-ND2 2.8Å; E83-N365 PolarHBondContact OE2-ND2 3.11Å; R361-N365 PolarHBondContact O-N 2.76Å; R361-N365 VanDerWaalsContact O-N 3.09Å; N365-R367 WeakPolarHBondContact OD1-CG 3.39Å; N365-R367 PolarHBondContact OD1-N 3.14Å; N365-N368 PolarHBondContact OD1-N 2.93Å; N365-F371 HydrophobicContact CB-CD1 3.85Å; N365-F371 HydrophobicContact CB-CE1 4.1Å; N365-F371 HydrophobicContact CB-CG 4.12Å; N365-F371 WeakPolarHBondContact ND2-CD2 3.3Å; N365-F371 WeakPolarHBondContact ND2-CG 3.31Å
366	T	87.6	Confident	92	Very high	132 Å²	132	47 Å²	47	81%	0.81	23%	0.227	S	C	*	.			trans	-94.7	-6.9	173.4	54.8	0	0	0	0	113.6	K364	K364-T366 PolarHBondContact O-N 3.38Å
367	R	91.9	Very high	91.8	Very high	73 Å²	73	48.8 Å²	48.8	28%	0.275	23%	0.234	S	C	.	.	S	Bend	trans	-81.2	-25.8	-179.2	66.1	172.9	174.4	-167.1	1.2	114.1	F86 D90 Y356 N365	F86-R367 VanDerWaalsContact CB-CZ 3.45Å; F86-R367 HydrophobicContact CD2-CG 4.16Å; F86-R367 HydrophobicContact CE2-CG 3.98Å; F86-R367 HydrophobicContact CZ-CB 4.39Å; F86-R367 HydrophobicContact CZ-CG 4.28Å; D90-R367 VanDerWaalsContact CG-NH1 3.32Å; D90-R367 IonicContact OD1-CZ 2.73Å; D90-R367 IonicContact OD1-NH1 3.62Å; D90-R367 PolarHBondContact OD1-NH1 3.32Å; D90-R367 IonicContact OD1-NH2 3.56Å; D90-R367 IonicContact OD2-CZ 3.31Å; D90-R367 VanDerWaalsContact OD2-CZ 3.31Å; D90-R367 IonicContact OD2-NH1 2.76Å; D90-R367 PolarHBondContact OD2-NH1 3.4Å; D90-R367 IonicContact OD2-NH2 2.99Å; D90-R367 PolarHBondContact OD2-NH2 3.32Å; Y356-R367 PolarHBondContact OH-NH2 3.31Å; N365-R367 WeakPolarHBondContact OD1-CG 3.39Å; N365-R367 PolarHBondContact OD1-N 3.14Å
368	N	94.3	Very high	91.5	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.027	25%	0.245	C	C	.	.			trans	-97.9	109.8	176.1	178.7	-10.1	0	0	0	110.6	V82 E83 F86 N365 W370 F371	V82-N368 HydrophobicContact CG1-CB 4.41Å; E83-N368 WeakPolarHBondContact OE1-CB 3.48Å; E83-N368 PolarHBondContact OE1-ND2 3.13Å; F86-N368 HydrophobicContact CE2-CB 4.3Å; N365-N368 PolarHBondContact OD1-N 2.93Å; N368-W370 PolarHBondContact O-N 3.38Å; N368-W370 PolarHBondContact OD1-N 2.89Å; N368-F371 HydrophobicContact CB-CB 4.02Å; N368-F371 WeakPolarHBondContact O-CB 3.17Å; N368-F371 PolarHBondContact O-N 3.07Å; N368-F371 PolarHBondContact OD1-N 3.39Å
369	P	93.5	Very high	91.4	Very high	35 Å²	35	51.2 Å²	51.2	23%	0.227	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-9	-175.6	33.2	-37.7	0	0	0	113.7	A42 Q388	A42-P369 HydrophobicContact CB-CG 4.11Å; P369-Q388 PolarHBondContact O-NE2 3.14Å
370	W	94.9	Very high	91.3	Very high	8 Å²	8	50.1 Å²	50.1	3%	0.03	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-6.1	176.9	-56.1	-74.9	0	0	0	112.8	S40 A42 V56 H57 I79 V82 D110 N368 A372 E373 F374	S40-W370 VanDerWaalsContact O-CZ2 3.32Å; S40-W370 WeakPolarHBondContact O-CZ2 3.44Å; A42-W370 HydrophobicContact CB-CE3 4.47Å; A42-W370 HydrophobicContact CB-CZ3 3.81Å; V56-W370 HydrophobicContact CB-CD2 4.48Å; V56-W370 HydrophobicContact CG1-CB 3.94Å; V56-W370 HydrophobicContact CG1-CD2 3.84Å; V56-W370 HydrophobicContact CG1-CE3 4.21Å; V56-W370 HydrophobicContact CG1-CG 3.72Å; V56-W370 HydrophobicContact CG2-CD2 4.26Å; V56-W370 HydrophobicContact CG2-CE3 4.04Å; V56-W370 HydrophobicContact CG2-CH2 4.33Å; V56-W370 HydrophobicContact CG2-CZ3 4.08Å; H57-W370 AromaticContact CE1-CD1 3.69Å; H57-W370 AromaticContact CE1-NE1 3.84Å; I79-W370 HydrophobicContact CD1-CB 3.7Å; V82-W370 HydrophobicContact CG2-CE3 4.47Å; V82-W370 HydrophobicContact CG2-CZ3 4.4Å; D110-W370 HydrophobicContact CB-CZ2 4.08Å; N368-W370 PolarHBondContact O-N 3.38Å; N368-W370 PolarHBondContact OD1-N 2.89Å; W370-A372 VanDerWaalsContact C-N 3.32Å; W370-A372 PolarHBondContact O-N 3.08Å; W370-E373 WeakPolarHBondContact O-CB 3.12Å; W370-E373 PolarHBondContact O-N 3.3Å; W370-E373 VanDerWaalsContact O-N 3.12Å; W370-F374 WeakPolarHBondContact O-CB 3.23Å; W370-F374 PolarHBondContact O-N 2.67Å
371	F	93.5	Very high	91.3	Very high	1 Å²	1	49.2 Å²	49.2	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-65.5	-33	-173.8	-163.9	-99.1	0	0	0	113.1	I79 L360 L362 N365 N368 F374 W375 L403	I79-F371 HydrophobicContact CG2-CD2 4.26Å; L360-F371 HydrophobicContact CB-CE2 4.28Å; L360-F371 HydrophobicContact CB-CZ 3.78Å; L360-F371 HydrophobicContact CD1-CE2 3.94Å; L360-F371 HydrophobicContact CD1-CZ 4.3Å; L362-F371 HydrophobicContact CD1-CD1 4.36Å; N365-F371 HydrophobicContact CB-CD1 3.85Å; N365-F371 HydrophobicContact CB-CE1 4.1Å; N365-F371 HydrophobicContact CB-CG 4.12Å; N365-F371 WeakPolarHBondContact ND2-CD2 3.3Å; N365-F371 WeakPolarHBondContact ND2-CG 3.31Å; N368-F371 HydrophobicContact CB-CB 4.02Å; N368-F371 WeakPolarHBondContact O-CB 3.17Å; N368-F371 PolarHBondContact O-N 3.07Å; N368-F371 PolarHBondContact OD1-N 3.39Å; F371-F374 HydrophobicContact CD2-CD1 4.11Å; F371-F374 HydrophobicContact CE2-CD1 4.09Å; F371-F374 HydrophobicContact CE2-CE1 4.24Å; F371-W375 AromaticContact CE1-CE3 3.7Å; F371-W375 HydrophobicContact CE1-CE3 3.7Å; F371-W375 AromaticContact CE1-CZ3 3.96Å; F371-W375 HydrophobicContact CE1-CZ3 3.96Å; F371-W375 AromaticContact CZ-CE3 3.96Å; F371-W375 HydrophobicContact CZ-CE3 3.96Å; F371-W375 AromaticContact CZ-CZ3 3.98Å; F371-W375 HydrophobicContact CZ-CZ3 3.98Å; F371-W375 WeakPolarHBondContact O-CB 3.19Å; F371-W375 PolarHBondContact O-N 2.91Å; F371-L403 HydrophobicContact CZ-CD1 4.29Å
372	A	91.8	Very high	91.4	Very high	9 Å²	9	49.1 Å²	49.1	7%	0.074	23%	0.234	C	C	.	.	H	α-helix	trans	-78	-23.7	175.2	0	0	0	0	0	113.6	L362 W370 Q376 L383 H386	L362-A372 HydrophobicContact CD1-CB 3.64Å; W370-A372 VanDerWaalsContact C-N 3.32Å; W370-A372 PolarHBondContact O-N 3.08Å; A372-Q376 VanDerWaalsContact O-CG 3.31Å; A372-Q376 WeakPolarHBondContact O-CG 3.41Å; A372-Q376 PolarHBondContact O-N 3.36Å; A372-Q376 PolarHBondContact O-NE2 3.33Å; A372-L383 HydrophobicContact CB-CD1 3.98Å; A372-H386 WeakPolarHBondContact CB-CE1 3.41Å
373	E	92.6	Very high	91.5	Very high	75 Å²	75	47.8 Å²	47.8	35%	0.35	23%	0.227	S	C	.	.	H	α-helix	trans	-74.2	-48.2	170.3	-172.2	169.4	-157.4	0	0	110.1	H57 V73 W370 W375 Q376 Y377	H57-E373 IonicContact NE2-OE1 2.7Å; H57-E373 IonicContact NE2-OE2 3.39Å; V73-E373 HydrophobicContact CG2-CB 4.41Å; V73-E373 HydrophobicContact CG2-CG 3.8Å; W370-E373 WeakPolarHBondContact O-CB 3.12Å; W370-E373 PolarHBondContact O-N 3.3Å; W370-E373 VanDerWaalsContact O-N 3.12Å; E373-W375 PolarHBondContact O-N 2.73Å; E373-Q376 PolarHBondContact O-N 2.82Å; E373-Y377 PolarHBondContact O-N 2.88Å
374	F	93.3	Very high	91.7	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-51.9	-49	170.5	168.5	-118.7	0	0	0	112.8	V73 E75 I79 Y357 W370 F371 Q376 Y377 R378 L403	V73-F374 HydrophobicContact CG1-CB 4.11Å; V73-F374 HydrophobicContact CG1-CD2 4.31Å; E75-F374 HydrophobicContact CB-CE2 3.81Å; E75-F374 HydrophobicContact CG-CE2 3.57Å; E75-F374 HydrophobicContact CG-CZ 3.81Å; I79-F374 HydrophobicContact CB-CD2 4.45Å; I79-F374 HydrophobicContact CB-CG 4.34Å; I79-F374 HydrophobicContact CD1-CB 3.91Å; I79-F374 HydrophobicContact CD1-CG 4.41Å; I79-F374 HydrophobicContact CG1-CB 3.84Å; I79-F374 HydrophobicContact CG1-CD2 4Å; I79-F374 HydrophobicContact CG1-CG 3.86Å; I79-F374 HydrophobicContact CG2-CD1 3.85Å; I79-F374 HydrophobicContact CG2-CE1 4.18Å; I79-F374 HydrophobicContact CG2-CG 4.04Å; Y357-F374 WeakPolarHBondContact OH-CE1 3.49Å; Y357-F374 WeakPolarHBondContact OH-CZ 3.05Å; W370-F374 WeakPolarHBondContact O-CB 3.23Å; W370-F374 PolarHBondContact O-N 2.67Å; F371-F374 HydrophobicContact CD2-CD1 4.11Å; F371-F374 HydrophobicContact CE2-CD1 4.09Å; F371-F374 HydrophobicContact CE2-CE1 4.24Å; F374-Q376 VanDerWaalsContact C-N 3.28Å; F374-Q376 PolarHBondContact O-N 2.84Å; F374-Y377 PolarHBondContact O-N 2.68Å; F374-R378 HydrophobicContact CD2-CB 4.15Å; F374-R378 HydrophobicContact CE2-CB 3.71Å; F374-R378 HydrophobicContact CE2-CG 3.97Å; F374-R378 HydrophobicContact CZ-CB 4.11Å; F374-R378 HydrophobicContact CZ-CG 4.07Å; F374-R378 VanDerWaalsContact O-CB 3.31Å; F374-R378 WeakPolarHBondContact O-CB 3.47Å; F374-R378 PolarHBondContact O-N 2.97Å; F374-L403 HydrophobicContact CE1-CD2 3.78Å; F374-L403 HydrophobicContact CZ-CD2 3.93Å
375	W	92.4	Very high	91.4	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.015	22%	0.222	C	C	.	.	H	α-helix	trans	-61.2	-37.9	-179.1	-159.6	-86.6	0	0	0	112.4	L362 F371 E373 F379 E401 L403	L362-W375 HydrophobicContact CB-CD2 4.16Å; L362-W375 HydrophobicContact CB-CE3 4.47Å; L362-W375 HydrophobicContact CB-CG 4.41Å; L362-W375 HydrophobicContact CD1-CB 4.26Å; L362-W375 HydrophobicContact CD1-CG 4.45Å; L362-W375 HydrophobicContact CD2-CG 4.25Å; F371-W375 AromaticContact CE1-CE3 3.7Å; F371-W375 HydrophobicContact CE1-CE3 3.7Å; F371-W375 AromaticContact CE1-CZ3 3.96Å; F371-W375 HydrophobicContact CE1-CZ3 3.96Å; F371-W375 AromaticContact CZ-CE3 3.96Å; F371-W375 HydrophobicContact CZ-CE3 3.96Å; F371-W375 AromaticContact CZ-CZ3 3.98Å; F371-W375 HydrophobicContact CZ-CZ3 3.98Å; F371-W375 WeakPolarHBondContact O-CB 3.19Å; F371-W375 PolarHBondContact O-N 2.91Å; E373-W375 PolarHBondContact O-N 2.73Å; W375-F379 AromaticContact CD1-CD2 3.86Å; W375-F379 AromaticContact CD2-CD2 3.88Å; W375-F379 HydrophobicContact CD2-CD2 3.88Å; W375-F379 AromaticContact CD2-CE2 3.72Å; W375-F379 HydrophobicContact CD2-CE2 3.72Å; W375-F379 AromaticContact CE2-CD2 3.77Å; W375-F379 AromaticContact CE2-CE2 3.64Å; W375-F379 AromaticContact CE3-CE2 3.94Å; W375-F379 HydrophobicContact CE3-CE2 3.94Å; W375-F379 AromaticContact CG-CD2 3.98Å; W375-F379 HydrophobicContact CG-CD2 3.98Å; W375-F379 HydrophobicContact CG-CE2 4.29Å; W375-F379 HydrophobicContact CH2-CE2 4.04Å; W375-F379 HydrophobicContact CZ2-CD2 4.34Å; W375-F379 AromaticContact CZ2-CE2 3.84Å; W375-F379 HydrophobicContact CZ2-CE2 3.84Å; W375-F379 HydrophobicContact CZ3-CE2 4.08Å; W375-F379 AromaticContact NE1-CD2 3.73Å; W375-F379 WeakPolarHBondContact O-CD2 3.43Å; W375-F379 PolarHBondContact O-N 3.3Å; W375-E401 WeakPolarHBondContact CH2-O 3.29Å; W375-E401 HydrophobicContact CZ2-CB 3.76Å; W375-E401 VanDerWaalsContact CZ2-O 3.26Å; W375-E401 WeakPolarHBondContact CZ2-O 3.03Å; W375-L403 HydrophobicContact CZ3-CD1 4.25Å; W375-L403 HydrophobicContact CZ3-CD2 4.13Å; W375-L403 HydrophobicContact CZ3-CG 4.06Å
376	Q	92.6	Very high	91.2	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.014	24%	0.235	C	C	.	.	H	α-helix	trans	-68.5	-43	176.3	-72.5	177	105.3	0	0	111.7	A372 E373 F374 Q380 C381 L383 Q388 Y393	A372-Q376 VanDerWaalsContact O-CG 3.31Å; A372-Q376 WeakPolarHBondContact O-CG 3.41Å; A372-Q376 PolarHBondContact O-N 3.36Å; A372-Q376 PolarHBondContact O-NE2 3.33Å; E373-Q376 PolarHBondContact O-N 2.82Å; F374-Q376 VanDerWaalsContact C-N 3.28Å; F374-Q376 PolarHBondContact O-N 2.84Å; Q376-Q380 VanDerWaalsContact O-CA 3.27Å; Q376-Q380 WeakPolarHBondContact O-CA 3.2Å; Q376-Q380 PolarHBondContact O-N 3.45Å; Q376-C381 WeakPolarHBondContact CA-O 3.05Å; Q376-C381 WeakPolarHBondContact CB-O 3.33Å; Q376-C381 WeakPolarHBondContact CG-O 3.31Å; Q376-C381 PolarHBondContact O-N 3.18Å; Q376-L383 HydrophobicContact CG-CB 4.33Å; Q376-L383 HydrophobicContact CG-CD1 3.72Å; Q376-L383 HydrophobicContact CG-CG 3.61Å; Q376-Q388 PolarHBondContact NE2-O 2.04Å; Q376-Y393 HydrophobicContact CB-CD2 4.1Å; Q376-Y393 HydrophobicContact CB-CE2 4.03Å
377	Y	91.3	Very high	91	Very high	80 Å²	80	44.1 Å²	44.1	31%	0.314	24%	0.236	S	C	.	.	H	α-helix	trans	-64.5	-51.9	176.3	-176.5	-96.3	0	0	0	112.3	D72 E373 F374 F379 Q380 Y393	D72-Y377 HydrophobicContact CB-CD2 4.11Å; D72-Y377 HydrophobicContact CB-CE2 3.47Å; D72-Y377 VanDerWaalsContact CB-CE2 3.47Å; E373-Y377 PolarHBondContact O-N 2.88Å; F374-Y377 PolarHBondContact O-N 2.68Å; Y377-F379 PolarHBondContact O-N 2.67Å; Y377-Q380 PolarHBondContact O-N 3.32Å; Y377-Q380 PolarHBondContact O-NE2 3.18Å; Y377-Y393 WeakPolarHBondContact CD2-OH 3.41Å
378	R	90.4	Very high	90.6	Very high	57 Å²	57	43.9 Å²	43.9	22%	0.215	24%	0.238	C	C	.	.	H	α-helix	trans	-69.2	-30.9	-172.9	-175.6	51.4	165.9	77.4	6.2	114.1	E75 F374 E405 N406	E75-R378 IonicContact OE1-NE 3.72Å; E75-R378 WeakPolarHBondContact OE2-CD 3.45Å; E75-R378 IonicContact OE2-CZ 3.43Å; E75-R378 IonicContact OE2-NE 2.69Å; E75-R378 PolarHBondContact OE2-NE 3.3Å; E75-R378 IonicContact OE2-NH2 3.61Å; F374-R378 HydrophobicContact CD2-CB 4.15Å; F374-R378 HydrophobicContact CE2-CB 3.71Å; F374-R378 HydrophobicContact CE2-CG 3.97Å; F374-R378 HydrophobicContact CZ-CB 4.11Å; F374-R378 HydrophobicContact CZ-CG 4.07Å; F374-R378 VanDerWaalsContact O-CB 3.31Å; F374-R378 WeakPolarHBondContact O-CB 3.47Å; F374-R378 PolarHBondContact O-N 2.97Å; R378-E405 PolarHBondContact NH1-O 2.81Å; R378-E405 PolarHBondContact NH2-O 3.48Å; R378-N406 PolarHBondContact NH2-O 3.26Å
379	F	91.4	Very high	90.3	Very high	23 Å²	23	45.9 Å²	45.9	10%	0.101	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	7.4	177.4	-60.5	-66.2	0	0	0	113.9	W375 Y377 C381 K395 E401 L403	W375-F379 AromaticContact CD1-CD2 3.86Å; W375-F379 AromaticContact CD2-CD2 3.88Å; W375-F379 HydrophobicContact CD2-CD2 3.88Å; W375-F379 AromaticContact CD2-CE2 3.72Å; W375-F379 HydrophobicContact CD2-CE2 3.72Å; W375-F379 AromaticContact CE2-CD2 3.77Å; W375-F379 AromaticContact CE2-CE2 3.64Å; W375-F379 AromaticContact CE3-CE2 3.94Å; W375-F379 HydrophobicContact CE3-CE2 3.94Å; W375-F379 AromaticContact CG-CD2 3.98Å; W375-F379 HydrophobicContact CG-CD2 3.98Å; W375-F379 HydrophobicContact CG-CE2 4.29Å; W375-F379 HydrophobicContact CH2-CE2 4.04Å; W375-F379 HydrophobicContact CZ2-CD2 4.34Å; W375-F379 AromaticContact CZ2-CE2 3.84Å; W375-F379 HydrophobicContact CZ2-CE2 3.84Å; W375-F379 HydrophobicContact CZ3-CE2 4.08Å; W375-F379 AromaticContact NE1-CD2 3.73Å; W375-F379 WeakPolarHBondContact O-CD2 3.43Å; W375-F379 PolarHBondContact O-N 3.3Å; Y377-F379 PolarHBondContact O-N 2.67Å; F379-C381 VanDerWaalsContact C-N 3.28Å; F379-C381 PolarHBondContact O-N 3.05Å; F379-K395 PolarHBondContact O-NZ 3.17Å; F379-E401 HydrophobicContact CB-CG 4.1Å; F379-E401 HydrophobicContact CD1-CB 3.89Å; F379-E401 HydrophobicContact CD1-CG 3.92Å; F379-E401 HydrophobicContact CD2-CB 3.83Å; F379-E401 HydrophobicContact CD2-CG 4.17Å; F379-E401 HydrophobicContact CE1-CB 3.89Å; F379-E401 HydrophobicContact CE1-CG 4.41Å; F379-E401 HydrophobicContact CE2-CB 3.83Å; F379-E401 HydrophobicContact CG-CB 3.86Å; F379-E401 HydrophobicContact CG-CG 3.79Å; F379-E401 HydrophobicContact CZ-CB 3.87Å; F379-L403 HydrophobicContact CE2-CD2 4.2Å; F379-L403 HydrophobicContact CZ-CD2 4.08Å
380	Q	92.7	Very high	89.9	Confident	111 Å²	111	46.7 Å²	46.7	52%	0.519	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	48	177.8	-64	-75.8	-53.2	0	0	112.3	Q376 Y377 Y393	Q376-Q380 VanDerWaalsContact O-CA 3.27Å; Q376-Q380 WeakPolarHBondContact O-CA 3.2Å; Q376-Q380 PolarHBondContact O-N 3.45Å; Y377-Q380 PolarHBondContact O-N 3.32Å; Y377-Q380 PolarHBondContact O-NE2 3.18Å; Q380-Y393 HydrophobicContact CB-CD1 4.41Å
381	C	92.6	Very high	89.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.282	C	S	.	.			trans	-138.9	159.4	-172.7	66.4	0	0	0	0	111.6	Q376 F379 Y393 K395 C397	Q376-C381 WeakPolarHBondContact CA-O 3.05Å; Q376-C381 WeakPolarHBondContact CB-O 3.33Å; Q376-C381 WeakPolarHBondContact CG-O 3.31Å; Q376-C381 PolarHBondContact O-N 3.18Å; F379-C381 VanDerWaalsContact C-N 3.28Å; F379-C381 PolarHBondContact O-N 3.05Å; C381-Y393 VanDerWaalsContact C-CB 3.41Å; C381-Y393 VanDerWaalsContact O-CD2 3.3Å; C381-Y393 WeakPolarHBondContact O-CD2 3.42Å; C381-K395 CarbonylContact C-O 3.59Å; C381-K395 WeakPolarHBondContact CA-O 3.3Å; C381-K395 HydrophobicContact CB-CB 4.32Å; C381-K395 HydrophobicContact CB-CD 4.18Å; C381-K395 HydrophobicContact CB-CG 4.1Å; C381-K395 WeakPolarHBondContact CB-O 3.27Å; C381-C397 VanDerWaalsContact C-SG 3.51Å; C381-C397 HydrophobicContact CB-CB 3.98Å; C381-C397 WeakPolarHBondContact CB-SG 3.23Å; C381-C397 VanDerWaalsContact SG-CA 3.53Å; C381-C397 WeakPolarHBondContact SG-CB 3.44Å; C381-C397 CovalentContact SG-SG 2.04Å; C381-C397 PolarHBondContact SG-SG 3.32Å
382	R	92.9	Very high	89.3	Confident	77 Å²	77	60.5 Å²	60.5	29%	0.291	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-104.7	152.2	176	66	173.4	-179.5	109.2	6.4	112.1	P384 E389 N390 Y393 K395 V396 C397	R382-P384 WeakPolarHBondContact O-CD 3.3Å; R382-E389 HydrophobicContact CB-CG 4.39Å; R382-E389 WeakPolarHBondContact CD-OE1 3.25Å; R382-E389 IonicContact CZ-OE1 2.7Å; R382-E389 IonicContact NE-OE1 2.77Å; R382-E389 IonicContact NH1-OE1 2.7Å; R382-E389 PolarHBondContact NH1-OE1 3.41Å; R382-N390 WeakPolarHBondContact CB-O 3.36Å; R382-Y393 VanDerWaalsContact CD-O 3.24Å; R382-Y393 WeakPolarHBondContact CD-O 3.31Å; R382-Y393 WeakPolarHBondContact CG-O 3.48Å; R382-K395 PolarHBondContact N-O 2.79Å; R382-V396 HydrophobicContact CG-CG2 4.3Å; R382-C397 PolarHBondContact O-N 3.11Å; R382-C397 VanDerWaalsContact O-N 3.08Å; R382-C397 PolarHBondContact O-SG 3.5Å; R382-C397 VanDerWaalsContact O-SG 3.4Å
383	L	91.1	Very high	89.3	Confident	18 Å²	18	61.6 Å²	61.6	9%	0.094	32%	0.319	C	S	.	.			trans	-104	88.7	175.7	-65.6	171.9	0	0	0	110.6	L362 A372 Q376 G385 H386 E389 C397	L362-L383 HydrophobicContact CD1-CD1 4.15Å; L362-L383 HydrophobicContact CD2-CD1 3.61Å; L362-L383 HydrophobicContact CD2-CD2 3.37Å; L362-L383 HydrophobicContact CD2-CG 4.13Å; L362-L383 HydrophobicContact CG-CD1 4.5Å; A372-L383 HydrophobicContact CB-CD1 3.98Å; Q376-L383 HydrophobicContact CG-CB 4.33Å; Q376-L383 HydrophobicContact CG-CD1 3.72Å; Q376-L383 HydrophobicContact CG-CG 3.61Å; L383-G385 PolarHBondContact O-N 3.31Å; L383-H386 HydrophobicContact CB-CB 3.65Å; L383-H386 WeakPolarHBondContact O-CB 3.04Å; L383-H386 PolarHBondContact O-N 2.87Å; L383-H386 VanDerWaalsContact O-N 3.09Å; L383-E389 WeakPolarHBondContact O-CB 3.31Å; L383-E389 WeakPolarHBondContact O-CG 3.43Å; L383-C397 HydrophobicContact CD2-CB 3.77Å
384	P	86.6	Confident	89.1	Confident	72 Å²	72	67.4 Å²	67.4	47%	0.468	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	122.6	-174.8	24	-34.3	0	0	0	112.2	R382 H386 V396	R382-P384 WeakPolarHBondContact O-CD 3.3Å; P384-H386 VanDerWaalsContact C-N 3.3Å; P384-H386 PolarHBondContact O-N 3.48Å; P384-V396 HydrophobicContact CG-CG1 3.79Å; P384-V396 HydrophobicContact CG-CG2 4.36Å
385	G	81.7	Confident	89.1	Confident	74 Å²	74	72.9 Å²	72.9	76%	0.763	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	3.3	179.9	0	0	0	0	0	115.5	L383 E389	L383-G385 PolarHBondContact O-N 3.31Å; G385-E389 PolarHBondContact N-OE2 3.1Å
386	H	85.4	Confident	89	Confident	73 Å²	73	76 Å²	76	34%	0.338	39%	0.386	S	S	.	.	S	Bend	trans	-74.9	145.1	167.3	-168.9	-107.6	0	0	0	110.2	A372 L383 P384 Q388 E389	A372-H386 WeakPolarHBondContact CB-CE1 3.41Å; L383-H386 HydrophobicContact CB-CB 3.65Å; L383-H386 WeakPolarHBondContact O-CB 3.04Å; L383-H386 PolarHBondContact O-N 2.87Å; L383-H386 VanDerWaalsContact O-N 3.09Å; P384-H386 VanDerWaalsContact C-N 3.3Å; P384-H386 PolarHBondContact O-N 3.48Å; H386-Q388 PolarHBondContact ND1-N 2.86Å; H386-Q388 PolarHBondContact O-N 3.39Å; H386-E389 WeakPolarHBondContact O-CB 3.45Å; H386-E389 PolarHBondContact O-N 3.2Å
387	P	83.6	Confident	88.9	Confident	128 Å²	128	76.7 Å²	76.7	83%	0.831	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.2	179.1	-28.3	36.9	0	0	0	114.7
388	Q	83.3	Confident	88.6	Confident	67 Å²	67	76.6 Å²	76.6	31%	0.313	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	32	176.7	-60.8	168.5	-32.6	0	0	112.7	P369 Q376 H386 N390	P369-Q388 PolarHBondContact O-NE2 3.14Å; Q376-Q388 PolarHBondContact NE2-O 2.04Å; H386-Q388 PolarHBondContact ND1-N 2.86Å; H386-Q388 PolarHBondContact O-N 3.39Å; Q388-N390 PolarHBondContact O-N 2.84Å
389	E	88.1	Confident	88.1	Confident	47 Å²	47	76.8 Å²	76.8	22%	0.22	42%	0.421	C	S	.	.			trans	-61.1	109.7	179.4	-176.7	-179.4	173.9	0	0	112.2	R382 L383 G385 H386 K391	R382-E389 HydrophobicContact CB-CG 4.39Å; R382-E389 WeakPolarHBondContact CD-OE1 3.25Å; R382-E389 IonicContact CZ-OE1 2.7Å; R382-E389 IonicContact NE-OE1 2.77Å; R382-E389 IonicContact NH1-OE1 2.7Å; R382-E389 PolarHBondContact NH1-OE1 3.41Å; L383-E389 WeakPolarHBondContact O-CB 3.31Å; L383-E389 WeakPolarHBondContact O-CG 3.43Å; G385-E389 PolarHBondContact N-OE2 3.1Å; H386-E389 WeakPolarHBondContact O-CB 3.45Å; H386-E389 PolarHBondContact O-N 3.2Å; E389-K391 HydrophobicContact CG-CG 4.31Å; E389-K391 PolarHBondContact O-N 2.98Å
390	N	86.8	Confident	87.8	Confident	52 Å²	52	84.2 Å²	84.2	28%	0.278	45%	0.454	S	S	.	.			trans	-84.9	101	174.5	-172.4	-17.4	0	0	0	110.6	R382 Q388 N392 Y393	R382-N390 WeakPolarHBondContact CB-O 3.36Å; Q388-N390 PolarHBondContact O-N 2.84Å; N390-N392 PolarHBondContact O-N 3.17Å; N390-N392 VanDerWaalsContact O-N 3.16Å; N390-N392 VanDerWaalsContact OD1-CB 3.28Å; N390-N392 WeakPolarHBondContact OD1-CB 3.3Å; N390-N392 PolarHBondContact OD1-N 3.14Å; N390-N392 VanDerWaalsContact OD1-N 3.09Å; N390-N392 PolarHBondContact OD1-ND2 2.93Å; N390-Y393 HydrophobicContact CB-CD2 3.99Å; N390-Y393 HydrophobicContact CB-CE2 4.08Å; N390-Y393 WeakPolarHBondContact ND2-CE2 3.41Å; N390-Y393 PolarHBondContact O-N 3.05Å
391	K	87.6	Confident	87.6	Confident	164 Å²	164	80 Å²	80	71%	0.713	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-4.7	-176.2	-64.5	177.9	-177.2	173.4	0	114.7	E389 Y393	E389-K391 HydrophobicContact CG-CG 4.31Å; E389-K391 PolarHBondContact O-N 2.98Å; K391-Y393 VanDerWaalsContact C-N 3.32Å
392	N	88.3	Confident	87.4	Confident	136 Å²	136	80.6 Å²	80.6	73%	0.727	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-31.4	174.7	-62.6	-17.7	0	0	0	111.6	N390	N390-N392 PolarHBondContact O-N 3.17Å; N390-N392 VanDerWaalsContact O-N 3.16Å; N390-N392 VanDerWaalsContact OD1-CB 3.28Å; N390-N392 WeakPolarHBondContact OD1-CB 3.3Å; N390-N392 PolarHBondContact OD1-N 3.14Å; N390-N392 VanDerWaalsContact OD1-N 3.09Å; N390-N392 PolarHBondContact OD1-ND2 2.93Å
393	Y	90.3	Very high	87.3	Confident	31 Å²	31	77 Å²	77	12%	0.122	43%	0.427	C	S	.	.			trans	-81.4	123.3	177.6	-56.7	-61.2	0	0	0	111.4	Q376 Y377 Q380 C381 R382 N390 K391	Q376-Y393 HydrophobicContact CB-CD2 4.1Å; Q376-Y393 HydrophobicContact CB-CE2 4.03Å; Y377-Y393 WeakPolarHBondContact CD2-OH 3.41Å; Q380-Y393 HydrophobicContact CB-CD1 4.41Å; C381-Y393 VanDerWaalsContact C-CB 3.41Å; C381-Y393 VanDerWaalsContact O-CD2 3.3Å; C381-Y393 WeakPolarHBondContact O-CD2 3.42Å; R382-Y393 VanDerWaalsContact CD-O 3.24Å; R382-Y393 WeakPolarHBondContact CD-O 3.31Å; R382-Y393 WeakPolarHBondContact CG-O 3.48Å; N390-Y393 HydrophobicContact CB-CD2 3.99Å; N390-Y393 HydrophobicContact CB-CE2 4.08Å; N390-Y393 WeakPolarHBondContact ND2-CE2 3.41Å; N390-Y393 PolarHBondContact O-N 3.05Å; K391-Y393 VanDerWaalsContact C-N 3.32Å
394	K	88.7	Confident	87.2	Confident	198 Å²	198	81.9 Å²	81.9	86%	0.861	45%	0.449	S	S	*	.			trans	-80.2	-37.8	-176.4	-63.2	175.5	-176.7	172.2	0	112.9
395	K	92.8	Very high	87.2	Confident	116 Å²	116	85.3 Å²	85.3	50%	0.504	46%	0.458	S	S	.	.	S	Bend	trans	-68.3	134.1	177.7	176.9	-173.8	170	-161.3	0	109.8	F379 C381 R382	F379-K395 PolarHBondContact O-NZ 3.17Å; C381-K395 CarbonylContact C-O 3.59Å; C381-K395 WeakPolarHBondContact CA-O 3.3Å; C381-K395 HydrophobicContact CB-CB 4.32Å; C381-K395 HydrophobicContact CB-CD 4.18Å; C381-K395 HydrophobicContact CB-CG 4.1Å; C381-K395 WeakPolarHBondContact CB-O 3.27Å; R382-K395 PolarHBondContact N-O 2.79Å
396	V	91.4	Very high	87.2	Confident	69 Å²	69	88.8 Å²	88.8	42%	0.418	46%	0.459	S	S	.	.	B	Isolated β-bridge	trans	-83.9	136.6	169.1	171.6	0	0	0	0	109	R382 P384	R382-V396 HydrophobicContact CG-CG2 4.3Å; P384-V396 HydrophobicContact CG-CG1 3.79Å; P384-V396 HydrophobicContact CG-CG2 4.36Å
397	C	89.7	Confident	87.4	Confident	17 Å²	17	87.6 Å²	87.6	12%	0.115	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-66	137.5	175.4	-49.8	0	0	0	0	110.4	C381 R382 L383	C381-C397 VanDerWaalsContact C-SG 3.51Å; C381-C397 HydrophobicContact CB-CB 3.98Å; C381-C397 WeakPolarHBondContact CB-SG 3.23Å; C381-C397 VanDerWaalsContact SG-CA 3.53Å; C381-C397 WeakPolarHBondContact SG-CB 3.44Å; C381-C397 CovalentContact SG-SG 2.04Å; C381-C397 PolarHBondContact SG-SG 3.32Å; R382-C397 PolarHBondContact O-N 3.11Å; R382-C397 VanDerWaalsContact O-N 3.08Å; R382-C397 PolarHBondContact O-SG 3.5Å; R382-C397 VanDerWaalsContact O-SG 3.4Å; L383-C397 HydrophobicContact CD2-CB 3.77Å
398	S	85.5	Confident	87.5	Confident	78 Å²	78	84.9 Å²	84.9	55%	0.545	43%	0.433	S	S	.	.			trans	-85.6	-14.5	-174.4	68.8	0	0	0	0	114.5	K400 E401	S398-K400 PolarHBondContact O-N 2.75Å; S398-K400 PolarHBondContact OG-N 2.64Å; S398-E401 WeakPolarHBondContact CB-OE1 3.4Å; S398-E401 PolarHBondContact N-OE1 3.04Å; S398-E401 PolarHBondContact N-OE2 3.46Å; S398-E401 PolarHBondContact OG-OE1 2.84Å; S398-E401 PolarHBondContact OG-OE2 2.9Å
399	G	80.6	Confident	87.8	Confident	61 Å²	61	83 Å²	83	63%	0.629	43%	0.425	S	S	*	.	S	Bend	trans	76.2	2.3	-173.8	0	0	0	0	0	113.5	E401	G399-E401 PolarHBondContact N-OE2 3.19Å
400	K	83.9	Confident	87.8	Confident	180 Å²	180	80.8 Å²	80.8	78%	0.783	41%	0.414	S	S	*	.			trans	-104.9	-11.4	177.4	-65.2	-174.3	179	-178.2	0	113.1	R361 S398	R361-K400 PolarHBondContact NH1-O 2.79Å; S398-K400 PolarHBondContact O-N 2.75Å; S398-K400 PolarHBondContact OG-N 2.64Å
401	E	88.3	Confident	87.8	Confident	23 Å²	23	79.4 Å²	79.4	11%	0.107	41%	0.408	C	S	.	.			trans	-52	145.9	175.6	-62.9	78.3	-165.8	0	0	111.1	R361 W375 F379 S398 G399	R361-E401 PolarHBondContact NH1-O 3.18Å; W375-E401 WeakPolarHBondContact CH2-O 3.29Å; W375-E401 HydrophobicContact CZ2-CB 3.76Å; W375-E401 VanDerWaalsContact CZ2-O 3.26Å; W375-E401 WeakPolarHBondContact CZ2-O 3.03Å; F379-E401 HydrophobicContact CB-CG 4.1Å; F379-E401 HydrophobicContact CD1-CB 3.89Å; F379-E401 HydrophobicContact CD1-CG 3.92Å; F379-E401 HydrophobicContact CD2-CB 3.83Å; F379-E401 HydrophobicContact CD2-CG 4.17Å; F379-E401 HydrophobicContact CE1-CB 3.89Å; F379-E401 HydrophobicContact CE1-CG 4.41Å; F379-E401 HydrophobicContact CE2-CB 3.83Å; F379-E401 HydrophobicContact CG-CB 3.86Å; F379-E401 HydrophobicContact CG-CG 3.79Å; F379-E401 HydrophobicContact CZ-CB 3.87Å; S398-E401 WeakPolarHBondContact CB-OE1 3.4Å; S398-E401 PolarHBondContact N-OE1 3.04Å; S398-E401 PolarHBondContact N-OE2 3.46Å; S398-E401 PolarHBondContact OG-OE1 2.84Å; S398-E401 PolarHBondContact OG-OE2 2.9Å; G399-E401 PolarHBondContact N-OE2 3.19Å
402	G	88.4	Confident	87.9	Confident	12 Å²	12	72.8 Å²	72.8	12%	0.124	38%	0.38	C	S	.	.			trans	-143	147.9	-176.6	0	0	0	0	0	111.4	H404	G402-H404 PolarHBondContact O-N 2.79Å
403	L	91.1	Very high	88.1	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.005	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	1	-170.5	-63.7	168.4	0	0	0	114.2	Y357 L358 L360 F371 F374 W375 F379 Y407	Y357-L403 HydrophobicContact CD1-CD1 4.21Å; Y357-L403 HydrophobicContact CE1-CB 4.32Å; Y357-L403 HydrophobicContact CE1-CD1 3.9Å; Y357-L403 HydrophobicContact CE1-CG 4.48Å; Y357-L403 WeakPolarHBondContact O-CD1 3.37Å; L358-L403 HydrophobicContact CD2-CB 4.16Å; L358-L403 WeakPolarHBondContact CD2-O 3.31Å; L360-L403 HydrophobicContact CB-CD1 4.13Å; F371-L403 HydrophobicContact CZ-CD1 4.29Å; F374-L403 HydrophobicContact CE1-CD2 3.78Å; F374-L403 HydrophobicContact CZ-CD2 3.93Å; W375-L403 HydrophobicContact CZ3-CD1 4.25Å; W375-L403 HydrophobicContact CZ3-CD2 4.13Å; W375-L403 HydrophobicContact CZ3-CG 4.06Å; F379-L403 HydrophobicContact CE2-CD2 4.2Å; F379-L403 HydrophobicContact CZ-CD2 4.08Å; L403-Y407 WeakPolarHBondContact O-CB 3.36Å
404	H	89.9	Confident	88.3	Confident	121 Å²	121	64.9 Å²	64.9	56%	0.56	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-28.7	178.1	-61.1	-78.5	0	0	0	113.7	G402 N406	G402-H404 PolarHBondContact O-N 2.79Å; H404-N406 PolarHBondContact O-N 2.83Å
405	E	85.1	Confident	88.5	Confident	143 Å²	143	56.3 Å²	56.3	67%	0.668	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	114.8	-175.7	-69.8	178.3	-173	0	0	110.9	R378 Y407	R378-E405 PolarHBondContact NH1-O 2.81Å; R378-E405 PolarHBondContact NH2-O 3.48Å; E405-Y407 VanDerWaalsContact C-N 3.34Å
406	N	82.9	Confident	88.7	Confident	147 Å²	147	50.8 Å²	50.8	79%	0.786	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	42.1	-173.9	-55.5	-9.3	0	0	0	112.9	R378 H404	R378-N406 PolarHBondContact NH2-O 3.26Å; H404-N406 PolarHBondContact O-N 2.83Å
407	Y	88.2	Confident	89	Confident	48 Å²	48	47.8 Å²	47.8	19%	0.188	26%	0.26	C	S	.	.			trans	-70	131.7	171.5	-177.9	-111.1	0	0	0	111.6	D354 Y357 L358 L403 E405 Q409	D354-Y407 VanDerWaalsContact OD1-CE1 3.24Å; D354-Y407 WeakPolarHBondContact OD1-CE1 3.42Å; D354-Y407 PolarHBondContact OD1-OH 3Å; Y357-Y407 HydrophobicContact CD1-CD2 4.07Å; Y357-Y407 AromaticContact CD1-CE2 3.44Å; Y357-Y407 HydrophobicContact CD1-CE2 3.44Å; Y357-Y407 VanDerWaalsContact CD1-CE2 3.44Å; Y357-Y407 HydrophobicContact CE1-CD2 4.07Å; Y357-Y407 AromaticContact CE1-CE2 3.64Å; Y357-Y407 HydrophobicContact CE1-CE2 3.64Å; Y357-Y407 HydrophobicContact CG-CE2 4.48Å; L358-Y407 HydrophobicContact CD2-CD1 4.23Å; L358-Y407 HydrophobicContact CD2-CD2 3.95Å; L358-Y407 HydrophobicContact CD2-CG 3.8Å; L403-Y407 WeakPolarHBondContact O-CB 3.36Å; E405-Y407 VanDerWaalsContact C-N 3.34Å; Y407-Q409 HydrophobicContact CE1-CB 4.09Å; Y407-Q409 WeakPolarHBondContact OH-CB 3.41Å
408	V	87.1	Confident	89.3	Confident	72 Å²	72	47 Å²	47	44%	0.436	26%	0.255	S	S	.	.			trans	-139.2	120.8	169.7	-176.9	0	0	0	0	108	Q80	Q80-V408 PolarHBondContact NE2-O 3.03Å
409	Q	89.6	Confident	89.9	Confident	27 Å²	27	43.3 Å²	43.3	13%	0.126	23%	0.229	C	C	.	.			trans	-70.3	141.9	176.3	-169.9	179.1	102.2	0	0	110.6	V350 F353 D354 Y407 S411 M413	V350-Q409 PolarHBondContact O-NE2 2.84Å; F353-Q409 HydrophobicContact CD1-CG 4.39Å; D354-Q409 PolarHBondContact OD1-NE2 3.29Å; Y407-Q409 HydrophobicContact CE1-CB 4.09Å; Y407-Q409 WeakPolarHBondContact OH-CB 3.41Å; Q409-S411 PolarHBondContact O-N 2.62Å; Q409-M413 HydrophobicContact CG-CB 4.25Å
410	D	88.4	Confident	90.7	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.199	C	C	.	.			trans	-54.3	120.6	166.8	170.9	15.9	0	0	0	110.8	Q76 Y77 R81 K412 M413	Q76-D410 HydrophobicContact CB-CB 4.17Å; Y77-D410 WeakPolarHBondContact CD1-OD1 3.48Å; Y77-D410 WeakPolarHBondContact CE1-OD1 3.47Å; R81-D410 IonicContact CZ-OD2 3.88Å; R81-D410 IonicContact NE-OD2 3.93Å; R81-D410 PolarHBondContact NE-OD2 2.78Å; R81-D410 IonicContact NH2-OD1 3.98Å; R81-D410 PolarHBondContact NH2-OD1 3.03Å; R81-D410 IonicContact NH2-OD2 3.19Å; R81-D410 PolarHBondContact NH2-OD2 2.81Å; D410-K412 PolarHBondContact O-N 3.23Å; D410-K412 VanDerWaalsContact O-N 3.16Å; D410-K412 PolarHBondContact OD1-N 3.16Å; D410-M413 HydrophobicContact CB-CB 4.27Å; D410-M413 HydrophobicContact CB-CE 4.11Å; D410-M413 WeakPolarHBondContact O-CB 3.41Å; D410-M413 PolarHBondContact O-N 3.39Å
411	S	86.2	Confident	91.3	Very high	22 Å²	22	33.7 Å²	33.7	15%	0.154	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.9	179.8	48.9	0	0	0	0	114.1	D325 S347 Q409	D325-S411 VanDerWaalsContact CG-CB 3.45Å; D325-S411 WeakPolarHBondContact OD1-CB 3.49Å; D325-S411 PolarHBondContact OD1-OG 2.86Å; D325-S411 WeakPolarHBondContact OD2-CB 3.11Å; D325-S411 PolarHBondContact OD2-OG 3.47Å; S347-S411 VanDerWaalsContact CB-O 3.29Å; S347-S411 WeakPolarHBondContact CB-O 3.43Å; S347-S411 PolarHBondContact OG-O 2.96Å; Q409-S411 PolarHBondContact O-N 2.62Å
412	K	89.6	Confident	91.8	Very high	26 Å²	26	32.6 Å²	32.6	11%	0.113	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	13.4	175.6	-58.2	-168.8	-179.5	-168.7	0	113.3	S189 D321 L345 D410 G414 F415 V416	S189-K412 VanDerWaalsContact OG-CD 3.26Å; S189-K412 WeakPolarHBondContact OG-CD 3.34Å; D321-K412 WeakPolarHBondContact OD2-CE 3.43Å; D321-K412 IonicContact OD2-NZ 3.23Å; D321-K412 PolarHBondContact OD2-NZ 3.34Å; L345-K412 HydrophobicContact CD1-CD 4.47Å; D410-K412 PolarHBondContact O-N 3.23Å; D410-K412 VanDerWaalsContact O-N 3.16Å; D410-K412 PolarHBondContact OD1-N 3.16Å; K412-G414 VanDerWaalsContact C-N 3.3Å; K412-G414 PolarHBondContact O-N 3.45Å; K412-F415 HydrophobicContact CB-CD2 4.03Å; K412-F415 HydrophobicContact CG-CD2 4.34Å; K412-F415 PolarHBondContact O-N 3.5Å; K412-V416 PolarHBondContact O-N 2.84Å
413	M	92.5	Very high	92.2	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.5	-39.8	-179.5	-172.5	56.4	79.7	0	0	112.6	Q80 R81 A84 F353 Q409 D410 F415 V416 I417	Q80-M413 HydrophobicContact CB-CE 3.63Å; Q80-M413 WeakPolarHBondContact O-CE 3.38Å; R81-M413 HydrophobicContact CG-CE 4.39Å; A84-M413 HydrophobicContact CB-CE 3.78Å; A84-M413 HydrophobicContact CB-CG 4.45Å; A84-M413 HydrophobicContact CB-SD 3.21Å; A84-M413 WeakPolarHBondContact CB-SD 3.17Å; F353-M413 HydrophobicContact CD1-CE 4.21Å; F353-M413 HydrophobicContact CD1-CG 4.4Å; F353-M413 HydrophobicContact CE1-CE 3.73Å; F353-M413 HydrophobicContact CZ-CE 4Å; Q409-M413 HydrophobicContact CG-CB 4.25Å; D410-M413 HydrophobicContact CB-CB 4.27Å; D410-M413 HydrophobicContact CB-CE 4.11Å; D410-M413 WeakPolarHBondContact O-CB 3.41Å; D410-M413 PolarHBondContact O-N 3.39Å; M413-F415 VanDerWaalsContact C-N 3.29Å; M413-F415 PolarHBondContact O-N 3.14Å; M413-V416 PolarHBondContact O-N 3.08Å; M413-V416 VanDerWaalsContact O-N 3.12Å; M413-V416 HydrophobicContact SD-CB 4.45Å; M413-I417 HydrophobicContact CG-CD1 4.01Å; M413-I417 WeakPolarHBondContact O-CG1 3.48Å; M413-I417 PolarHBondContact O-N 2.87Å; M413-I417 VanDerWaalsContact O-N 3.11Å; M413-I417 HydrophobicContact SD-CD1 4.48Å
414	G	93.6	Very high	92.5	Very high	1 Å²	1	32 Å²	32	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-57.5	-40.6	178.1	0	0	0	0	0	113	K412 V416 I417 N418	K412-G414 VanDerWaalsContact C-N 3.3Å; K412-G414 PolarHBondContact O-N 3.45Å; G414-V416 PolarHBondContact O-N 3.23Å; G414-I417 PolarHBondContact O-N 3.17Å; G414-N418 WeakPolarHBondContact O-CB 3.33Å; G414-N418 VanDerWaalsContact O-CG 3.29Å; G414-N418 PolarHBondContact O-N 2.89Å
415	F	94.6	Very high	92.9	Very high	17 Å²	17	28.4 Å²	28.4	8%	0.075	14%	0.141	C	C	.	.	H	α-helix	trans	-68	-33.8	176.8	-55.1	-62	0	0	0	113.2	V207 V208 L345 Q346 K412 M413 I417 A419	V207-F415 HydrophobicContact CG2-CB 4.31Å; V207-F415 WeakPolarHBondContact CG2-O 3.35Å; V207-F415 WeakPolarHBondContact O-CD1 2.99Å; V208-F415 HydrophobicContact CG1-CB 3.9Å; V208-F415 HydrophobicContact CG1-CD1 3.67Å; V208-F415 HydrophobicContact CG1-CD2 3.93Å; V208-F415 HydrophobicContact CG1-CE1 4.18Å; V208-F415 HydrophobicContact CG1-CE2 4.42Å; V208-F415 HydrophobicContact CG1-CG 3.53Å; L345-F415 HydrophobicContact CB-CE2 3.55Å; L345-F415 HydrophobicContact CB-CZ 3.76Å; L345-F415 HydrophobicContact CD1-CE2 4.23Å; L345-F415 HydrophobicContact CG-CE2 4.49Å; Q346-F415 WeakPolarHBondContact O-CZ 3.48Å; K412-F415 HydrophobicContact CB-CD2 4.03Å; K412-F415 HydrophobicContact CG-CD2 4.34Å; K412-F415 PolarHBondContact O-N 3.5Å; M413-F415 VanDerWaalsContact C-N 3.29Å; M413-F415 PolarHBondContact O-N 3.14Å; F415-I417 VanDerWaalsContact C-N 3.32Å; F415-A419 WeakPolarHBondContact O-CB 3.29Å; F415-A419 PolarHBondContact O-N 3.45Å
416	V	96.6	Very high	93.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.9	-42.1	173	179.9	0	0	0	0	110.4	F54 R81 Y188 K412 M413 G414 A419 I420	F54-V416 HydrophobicContact CE1-CG1 3.84Å; F54-V416 HydrophobicContact CZ-CG1 3.89Å; R81-V416 HydrophobicContact CG-CG2 4.1Å; Y188-V416 HydrophobicContact CD1-CG2 4.21Å; Y188-V416 HydrophobicContact CD2-CG2 3.82Å; Y188-V416 HydrophobicContact CE2-CG2 4.35Å; Y188-V416 HydrophobicContact CG-CG2 3.78Å; K412-V416 PolarHBondContact O-N 2.84Å; M413-V416 PolarHBondContact O-N 3.08Å; M413-V416 VanDerWaalsContact O-N 3.12Å; M413-V416 HydrophobicContact SD-CB 4.45Å; G414-V416 PolarHBondContact O-N 3.23Å; V416-A419 PolarHBondContact O-N 3.47Å; V416-I420 HydrophobicContact CG1-CD1 4.39Å; V416-I420 WeakPolarHBondContact O-CD1 3.37Å; V416-I420 WeakPolarHBondContact O-CG1 3.49Å; V416-I420 PolarHBondContact O-N 2.9Å
417	I	96.8	Very high	94.1	Very high	7 Å²	7	14.7 Å²	14.7	4%	0.036	7%	0.073	C	C	.	.	H	α-helix	trans	-71.1	-43.4	179.9	-62.8	175.1	0	0	0	110.8	T88 V350 M413 G414 F415 A419 I420 Y421 V465	T88-I417 HydrophobicContact CG2-CG2 3.97Å; V350-I417 HydrophobicContact CB-CD1 4.4Å; V350-I417 HydrophobicContact CG1-CD1 3.88Å; V350-I417 HydrophobicContact CG2-CD1 4.29Å; M413-I417 HydrophobicContact CG-CD1 4.01Å; M413-I417 WeakPolarHBondContact O-CG1 3.48Å; M413-I417 PolarHBondContact O-N 2.87Å; M413-I417 VanDerWaalsContact O-N 3.11Å; M413-I417 HydrophobicContact SD-CD1 4.48Å; G414-I417 PolarHBondContact O-N 3.17Å; F415-I417 VanDerWaalsContact C-N 3.32Å; I417-A419 VanDerWaalsContact C-N 3.3Å; I417-A419 PolarHBondContact O-N 3.41Å; I417-I420 PolarHBondContact O-N 2.94Å; I417-I420 VanDerWaalsContact O-N 3.14Å; I417-Y421 HydrophobicContact CG2-CD2 3.72Å; I417-Y421 HydrophobicContact CG2-CE2 3.55Å; I417-Y421 WeakPolarHBondContact O-CD2 3.17Å; I417-Y421 PolarHBondContact O-N 3.37Å; I417-V465 HydrophobicContact CB-CG1 4.13Å; I417-V465 HydrophobicContact CG2-CG1 3.52Å
418	N	96.1	Very high	94.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.4	-37.7	173.3	-73	-7	0	0	0	111.9	V207 G414 I420 Y421 A422 F462 G464 V465 E468	V207-N418 HydrophobicContact CB-CB 4.46Å; V207-N418 HydrophobicContact CG2-CB 4.36Å; G414-N418 WeakPolarHBondContact O-CB 3.33Å; G414-N418 VanDerWaalsContact O-CG 3.29Å; G414-N418 PolarHBondContact O-N 2.89Å; N418-I420 VanDerWaalsContact C-N 3.31Å; N418-I420 PolarHBondContact O-N 3.47Å; N418-Y421 PolarHBondContact O-N 3.37Å; N418-A422 WeakPolarHBondContact O-CB 3.12Å; N418-A422 PolarHBondContact O-N 2.88Å; N418-F462 HydrophobicContact CB-CZ 4.47Å; N418-F462 WeakPolarHBondContact O-CZ 3.08Å; N418-G464 WeakPolarHBondContact OD1-CA 3.32Å; N418-V465 PolarHBondContact OD1-N 3.31Å; N418-E468 PolarHBondContact ND2-OE1 2.64Å
419	A	97.6	Very high	94.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-64.1	-35	176	0	0	0	0	0	112.8	I163 I186 V207 F415 V416 I417 M423	I163-A419 HydrophobicContact CG2-CB 4.03Å; I186-A419 HydrophobicContact CG2-CB 3.87Å; V207-A419 HydrophobicContact CG2-CB 3.77Å; F415-A419 WeakPolarHBondContact O-CB 3.29Å; F415-A419 PolarHBondContact O-N 3.45Å; V416-A419 PolarHBondContact O-N 3.47Å; I417-A419 VanDerWaalsContact C-N 3.3Å; I417-A419 PolarHBondContact O-N 3.41Å; A419-M423 PolarHBondContact O-N 3.1Å
420	I	97.9	Very high	95.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-72.3	-43.4	176.5	-60.9	158.5	0	0	0	110.4	M85 T88 L89 I92 I163 V416 I417 N418 M423 A424	M85-I420 HydrophobicContact CB-CD1 3.93Å; M85-I420 HydrophobicContact CG-CD1 3.79Å; M85-I420 HydrophobicContact CG-CG1 4.38Å; T88-I420 HydrophobicContact CG2-CB 3.99Å; T88-I420 HydrophobicContact CG2-CD1 4.19Å; T88-I420 HydrophobicContact CG2-CG2 3.7Å; L89-I420 HydrophobicContact CD2-CG2 3.7Å; L89-I420 HydrophobicContact CG-CG2 4.24Å; I92-I420 HydrophobicContact CD1-CG2 3.83Å; I163-I420 HydrophobicContact CD1-CB 4.2Å; I163-I420 HydrophobicContact CD1-CG1 3.54Å; V416-I420 HydrophobicContact CG1-CD1 4.39Å; V416-I420 WeakPolarHBondContact O-CD1 3.37Å; V416-I420 WeakPolarHBondContact O-CG1 3.49Å; V416-I420 PolarHBondContact O-N 2.9Å; I417-I420 PolarHBondContact O-N 2.94Å; I417-I420 VanDerWaalsContact O-N 3.14Å; N418-I420 VanDerWaalsContact C-N 3.31Å; N418-I420 PolarHBondContact O-N 3.47Å; I420-M423 PolarHBondContact O-N 3.04Å; I420-A424 PolarHBondContact O-N 2.98Å
421	Y	97.4	Very high	95.5	Very high	40 Å²	40	11.6 Å²	11.6	16%	0.157	6%	0.056	C	C	.	.	H	α-helix	trans	-63.5	-40.6	173.9	-80.7	-70.2	0	0	0	112	T88 I92 L98 I417 N418 M423 A424 H425	T88-Y421 HydrophobicContact CG2-CD2 4.21Å; T88-Y421 HydrophobicContact CG2-CE2 3.79Å; I92-Y421 HydrophobicContact CD1-CD1 4.05Å; I92-Y421 HydrophobicContact CD1-CE1 3.96Å; I92-Y421 HydrophobicContact CG1-CD1 4.18Å; I92-Y421 HydrophobicContact CG1-CE1 3.67Å; L98-Y421 HydrophobicContact CD2-CD1 4.1Å; L98-Y421 HydrophobicContact CD2-CE1 4.26Å; I417-Y421 HydrophobicContact CG2-CD2 3.72Å; I417-Y421 HydrophobicContact CG2-CE2 3.55Å; I417-Y421 WeakPolarHBondContact O-CD2 3.17Å; I417-Y421 PolarHBondContact O-N 3.37Å; N418-Y421 PolarHBondContact O-N 3.37Å; Y421-M423 VanDerWaalsContact C-N 3.31Å; Y421-M423 PolarHBondContact O-N 3.26Å; Y421-A424 PolarHBondContact O-N 3.28Å; Y421-A424 VanDerWaalsContact O-N 3.12Å; Y421-H425 WeakPolarHBondContact O-CB 3.33Å; Y421-H425 PolarHBondContact O-CD2 3.21Å; Y421-H425 PolarHBondContact O-N 3.39Å
422	A	97.5	Very high	95.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-57.1	-44.5	174.5	0	0	0	0	0	111.9	I186 V207 N418 G426 L457 F462 F472	I186-A422 HydrophobicContact CD1-CB 4.11Å; V207-A422 HydrophobicContact CG1-CB 4.26Å; N418-A422 WeakPolarHBondContact O-CB 3.12Å; N418-A422 PolarHBondContact O-N 2.88Å; A422-G426 PolarHBondContact O-N 3.12Å; A422-L457 VanDerWaalsContact O-CD2 3.31Å; A422-L457 WeakPolarHBondContact O-CD2 3.47Å; A422-F462 HydrophobicContact CB-CE1 3.69Å; A422-F462 HydrophobicContact CB-CZ 3.94Å; A422-F472 HydrophobicContact CB-CE2 4.34Å; A422-F472 HydrophobicContact CB-CZ 4.07Å
423	M	97.8	Very high	96	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.2	-44.7	174.4	-166.6	67.2	72.9	0	0	111.9	I50 I163 I186 A419 I420 Y421 L427 L453 L457	I50-M423 HydrophobicContact CD1-CB 4.29Å; I50-M423 HydrophobicContact CD1-CG 3.68Å; I50-M423 HydrophobicContact CG1-CG 4.03Å; I50-M423 HydrophobicContact CG2-CG 4.43Å; I163-M423 HydrophobicContact CG1-CE 4.48Å; I186-M423 HydrophobicContact CD1-CB 4.23Å; I186-M423 HydrophobicContact CD1-CE 3.68Å; I186-M423 HydrophobicContact CD1-SD 4.35Å; I186-M423 HydrophobicContact CG1-CE 3.88Å; A419-M423 PolarHBondContact O-N 3.1Å; I420-M423 PolarHBondContact O-N 3.04Å; Y421-M423 VanDerWaalsContact C-N 3.31Å; Y421-M423 PolarHBondContact O-N 3.26Å; M423-L427 HydrophobicContact CG-CD1 4.24Å; M423-L427 WeakPolarHBondContact O-CB 3.46Å; M423-L427 WeakPolarHBondContact O-CD1 3.3Å; M423-L427 VanDerWaalsContact O-CG 3.22Å; M423-L427 WeakPolarHBondContact O-CG 3.18Å; M423-L427 PolarHBondContact O-N 3.39Å; M423-L453 HydrophobicContact SD-CD2 4.19Å; M423-L457 HydrophobicContact SD-CD1 4.37Å
424	A	97.6	Very high	96.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-68.2	-39.6	179.9	0	0	0	0	0	113.2	I92 L98 L99 L104 I420 Y421 H428	I92-A424 HydrophobicContact CD1-CB 3.96Å; I92-A424 HydrophobicContact CG2-CB 4.25Å; L98-A424 HydrophobicContact CD2-CB 4.03Å; L98-A424 HydrophobicContact CG-CB 4.47Å; L99-A424 HydrophobicContact CD1-CB 4.14Å; L104-A424 HydrophobicContact CD1-CB 3.86Å; I420-A424 PolarHBondContact O-N 2.98Å; Y421-A424 PolarHBondContact O-N 3.28Å; Y421-A424 VanDerWaalsContact O-N 3.12Å; A424-H428 VanDerWaalsContact O-CB 3.22Å; A424-H428 WeakPolarHBondContact O-CB 3.13Å; A424-H428 PolarHBondContact O-N 2.62Å
425	H	97.4	Very high	96	Very high	45 Å²	45	23.3 Å²	23.3	21%	0.208	11%	0.108	C	C	.	.	H	α-helix	trans	-68.3	-44.7	175.7	-81.6	-79.5	0	0	0	111.5	Y421 L427 H428 D429 T460 F462	Y421-H425 WeakPolarHBondContact O-CB 3.33Å; Y421-H425 PolarHBondContact O-CD2 3.21Å; Y421-H425 PolarHBondContact O-N 3.39Å; H425-L427 VanDerWaalsContact C-N 3.35Å; H425-L427 PolarHBondContact O-N 3.43Å; H425-H428 CarbonylContact O-C 3.57Å; H425-H428 WeakPolarHBondContact O-CB 3.15Å; H425-H428 PolarHBondContact O-N 2.78Å; H425-D429 PolarHBondContact O-N 3.5Å; H425-T460 HydrophobicContact CB-CG2 4.39Å; H425-T460 WeakPolarHBondContact CB-OG1 3.24Å; H425-F462 HydrophobicContact CB-CD1 4.44Å; H425-F462 AromaticContact CD2-CD2 3.96Å; H425-F462 AromaticContact CD2-CG 3.62Å; H425-F462 AromaticContact NE2-CG 4Å
426	G	97.1	Very high	95.8	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.3	-41.8	173.5	0	0	0	0	0	113.3	A422 H428 M430	A422-G426 PolarHBondContact O-N 3.12Å; G426-H428 VanDerWaalsContact C-N 3.33Å; G426-H428 PolarHBondContact O-N 3.16Å; G426-M430 VanDerWaalsContact O-CB 3.26Å; G426-M430 WeakPolarHBondContact O-CB 3.23Å; G426-M430 PolarHBondContact O-N 2.88Å
427	L	96.6	Very high	95.1	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.016	18%	0.18	C	C	.	.	H	α-helix	trans	-64	-36.3	172.5	-74.5	168.8	0	0	0	112.6	V48 L99 L104 M423 H425 H431 I448 L453	V48-L427 HydrophobicContact CG1-CD1 4.14Å; L99-L427 HydrophobicContact CD1-CB 4.35Å; L99-L427 HydrophobicContact CD2-CB 4.11Å; L104-L427 HydrophobicContact CD2-CD1 3.9Å; M423-L427 HydrophobicContact CG-CD1 4.24Å; M423-L427 WeakPolarHBondContact O-CB 3.46Å; M423-L427 WeakPolarHBondContact O-CD1 3.3Å; M423-L427 VanDerWaalsContact O-CG 3.22Å; M423-L427 WeakPolarHBondContact O-CG 3.18Å; M423-L427 PolarHBondContact O-N 3.39Å; H425-L427 VanDerWaalsContact C-N 3.35Å; H425-L427 PolarHBondContact O-N 3.43Å; L427-H431 VanDerWaalsContact O-CB 3.32Å; L427-H431 WeakPolarHBondContact O-CB 3.22Å; L427-H431 PolarHBondContact O-N 3.49Å; L427-I448 HydrophobicContact CD2-CD1 3.61Å; L427-L453 HydrophobicContact CD2-CD1 3.84Å; L427-L453 HydrophobicContact CD2-CD2 3.97Å; L427-L453 HydrophobicContact CG-CD1 4.06Å
428	H	95.8	Very high	94.7	Very high	30 Å²	30	36.7 Å²	36.7	14%	0.139	20%	0.204	C	C	.	.	H	α-helix	trans	-74	-38	-180	179.9	52.2	0	0	0	112.6	H97 L98 L99 A424 H425 G426 H431 K432	H97-H428 PolarHBondContact O-NE2 2.86Å; L98-H428 HydrophobicContact CD1-CB 3.66Å; L99-H428 HydrophobicContact CD2-CB 3.87Å; L99-H428 HydrophobicContact CG-CB 4.03Å; L99-H428 PolarHBondContact N-CE1 3.11Å; L99-H428 PolarHBondContact N-ND1 3.03Å; A424-H428 VanDerWaalsContact O-CB 3.22Å; A424-H428 WeakPolarHBondContact O-CB 3.13Å; A424-H428 PolarHBondContact O-N 2.62Å; H425-H428 CarbonylContact O-C 3.57Å; H425-H428 WeakPolarHBondContact O-CB 3.15Å; H425-H428 PolarHBondContact O-N 2.78Å; G426-H428 VanDerWaalsContact C-N 3.33Å; G426-H428 PolarHBondContact O-N 3.16Å; H428-H431 PolarHBondContact O-N 3.49Å; H428-K432 WeakPolarHBondContact CD2-CE 3.43Å; H428-K432 PolarHBondContact CD2-NZ 3.3Å; H428-K432 VanDerWaalsContact CD2-NZ 3.3Å; H428-K432 WeakPolarHBondContact O-CG 3.39Å; H428-K432 PolarHBondContact O-N 3.18Å
429	D	95.9	Very high	93.9	Very high	42 Å²	42	41.9 Å²	41.9	23%	0.225	24%	0.236	C	C	.	.	H	α-helix	trans	-70.9	-39.9	175.1	-64.2	-30.6	0	0	0	110.9	H425 H431 K432 E433 Y456 T460	H425-D429 PolarHBondContact O-N 3.5Å; D429-H431 VanDerWaalsContact C-N 3.3Å; D429-H431 PolarHBondContact O-N 3.36Å; D429-K432 PolarHBondContact O-N 3.15Å; D429-K432 IonicContact OD1-NZ 2.71Å; D429-K432 PolarHBondContact OD1-NZ 2.91Å; D429-E433 PolarHBondContact O-N 3.5Å; D429-Y456 HydrophobicContact CB-CD1 4.48Å; D429-T460 PolarHBondContact OD2-OG1 2.84Å
430	M	95.5	Very high	93.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.2	-41.7	167.8	-176.5	173	-176.2	0	0	112.1	G426 L434 M445 I448 K452 L453 Y456	G426-M430 VanDerWaalsContact O-CB 3.26Å; G426-M430 WeakPolarHBondContact O-CB 3.23Å; G426-M430 PolarHBondContact O-N 2.88Å; M430-L434 HydrophobicContact CE-CD1 3.59Å; M430-L434 HydrophobicContact CG-CD1 3.67Å; M430-L434 HydrophobicContact CG-CG 4.34Å; M430-L434 WeakPolarHBondContact O-CB 3.37Å; M430-L434 WeakPolarHBondContact O-CG 3.43Å; M430-L434 PolarHBondContact O-N 3.27Å; M430-M445 HydrophobicContact CB-CE 4.28Å; M430-M445 HydrophobicContact CE-CG 4.45Å; M430-M445 HydrophobicContact CG-CE 3.89Å; M430-M445 HydrophobicContact CG-SD 4.36Å; M430-M445 HydrophobicContact SD-CE 4.08Å; M430-I448 HydrophobicContact CE-CG2 4.13Å; M430-I448 HydrophobicContact SD-CG2 4.22Å; M430-K452 HydrophobicContact CE-CB 4.01Å; M430-L453 HydrophobicContact SD-CB 4.09Å; M430-L453 HydrophobicContact SD-CD1 4.05Å; M430-Y456 HydrophobicContact CB-CD1 4.41Å; M430-Y456 HydrophobicContact CB-CD2 3.46Å; M430-Y456 VanDerWaalsContact CB-CD2 3.46Å; M430-Y456 HydrophobicContact CB-CE2 3.82Å; M430-Y456 HydrophobicContact CB-CG 3.81Å; M430-Y456 HydrophobicContact CG-CD2 3.61Å; M430-Y456 HydrophobicContact CG-CE2 3.62Å; M430-Y456 HydrophobicContact CG-CG 4.45Å; M430-Y456 HydrophobicContact SD-CD2 4.19Å; M430-Y456 HydrophobicContact SD-CE2 4.49Å
431	H	95	Very high	93	Very high	10 Å²	10	44.6 Å²	44.6	5%	0.046	25%	0.252	C	S	.	.	H	α-helix	trans	-67.5	-42	178.2	-179.3	-98.1	0	0	0	113.2	L427 H428 D429 E433 C435 Q438 G440 M445	L427-H431 VanDerWaalsContact O-CB 3.32Å; L427-H431 WeakPolarHBondContact O-CB 3.22Å; L427-H431 PolarHBondContact O-N 3.49Å; H428-H431 PolarHBondContact O-N 3.49Å; D429-H431 VanDerWaalsContact C-N 3.3Å; D429-H431 PolarHBondContact O-N 3.36Å; H431-E433 VanDerWaalsContact C-N 3.27Å; H431-E433 PolarHBondContact O-N 3.45Å; H431-C435 WeakPolarHBondContact O-CA 3.45Å; H431-C435 WeakPolarHBondContact O-CB 3.45Å; H431-C435 PolarHBondContact O-N 2.04Å; H431-Q438 PolarHBondContact CE1-O 3.31Å; H431-Q438 VanDerWaalsContact CE1-O 3.27Å; H431-G440 PolarHBondContact NE2-O 3.36Å; H431-M445 VanDerWaalsContact CA-SD 3.59Å; H431-M445 HydrophobicContact CB-CE 4.26Å; H431-M445 HydrophobicContact CB-SD 3.87Å
432	K	93.3	Very high	92.6	Very high	110 Å²	110	43.3 Å²	43.3	48%	0.478	25%	0.249	S	C	.	.	H	α-helix	trans	-56.4	-40.7	176	-72.4	166.4	-163.7	160.9	0	112.4	H428 D429	H428-K432 WeakPolarHBondContact CD2-CE 3.43Å; H428-K432 PolarHBondContact CD2-NZ 3.3Å; H428-K432 VanDerWaalsContact CD2-NZ 3.3Å; H428-K432 WeakPolarHBondContact O-CG 3.39Å; H428-K432 PolarHBondContact O-N 3.18Å; D429-K432 PolarHBondContact O-N 3.15Å; D429-K432 IonicContact OD1-NZ 2.71Å; D429-K432 PolarHBondContact OD1-NZ 2.91Å
433	E	93.7	Very high	92.2	Very high	134 Å²	134	52.3 Å²	52.3	63%	0.626	29%	0.291	S	S	*	.	H	α-helix	trans	-84.8	-40	-175.9	-163.6	175.7	118.3	0	0	112.8	D429 H431 Y456	D429-E433 PolarHBondContact O-N 3.5Å; H431-E433 VanDerWaalsContact C-N 3.27Å; H431-E433 PolarHBondContact O-N 3.45Å; E433-Y456 HydrophobicContact CB-CE1 4.14Å; E433-Y456 PolarHBondContact OE1-OH 2.95Å
434	L	93.7	Very high	91.8	Very high	49 Å²	49	54.9 Å²	54.9	26%	0.257	31%	0.312	S	S	.	.	H	α-helix	trans	-90.1	-25.3	-175.8	-59.6	-176.3	0	0	0	114.6	M430 P436 A444 M445	M430-L434 HydrophobicContact CE-CD1 3.59Å; M430-L434 HydrophobicContact CG-CD1 3.67Å; M430-L434 HydrophobicContact CG-CG 4.34Å; M430-L434 WeakPolarHBondContact O-CB 3.37Å; M430-L434 WeakPolarHBondContact O-CG 3.43Å; M430-L434 PolarHBondContact O-N 3.27Å; L434-P436 WeakPolarHBondContact O-CD 3.42Å; L434-A444 HydrophobicContact CB-CB 4.23Å; L434-M445 HydrophobicContact CB-CG 4.38Å; L434-M445 HydrophobicContact CD1-CG 4.27Å
435	C	93.2	Very high	91.5	Very high	2 Å²	2	55 Å²	55	1%	0.014	31%	0.313	C	S	.	.	S	Bend	trans	-119.9	45.7	-179.3	-56.1	0	0	0	0	113.2	H431 G437 Q438 C442 M445	H431-C435 WeakPolarHBondContact O-CA 3.45Å; H431-C435 WeakPolarHBondContact O-CB 3.45Å; H431-C435 PolarHBondContact O-N 2.04Å; C435-G437 PolarHBondContact O-N 3.05Å; C435-Q438 HydrophobicContact CB-CB 4.48Å; C435-Q438 PolarHBondContact O-N 3.47Å; C435-C442 VanDerWaalsContact CA-SG 3.54Å; C435-C442 HydrophobicContact CB-CB 3.8Å; C435-C442 WeakPolarHBondContact CB-SG 3.5Å; C435-C442 WeakPolarHBondContact SG-CB 3.11Å; C435-C442 CovalentContact SG-SG 2.04Å; C435-C442 PolarHBondContact SG-SG 2.96Å; C435-M445 VanDerWaalsContact SG-SD 3.64Å
436	P	89.5	Confident	90.9	Very high	96 Å²	96	57.8 Å²	57.8	62%	0.623	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	122.2	-168.3	25.7	-35.7	0	0	0	112.6	L434 Q438	L434-P436 WeakPolarHBondContact O-CD 3.42Å; P436-Q438 VanDerWaalsContact C-N 3.31Å; P436-Q438 PolarHBondContact O-N 2.87Å
437	G	82.4	Confident	90.4	Very high	93 Å²	93	61.9 Å²	61.9	96%	0.959	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	7	179.4	0	0	0	0	0	115.4	C435	C435-G437 PolarHBondContact O-N 3.05Å
438	Q	86.8	Confident	90.1	Very high	117 Å²	117	63.3 Å²	63.3	55%	0.547	36%	0.363	S	S	.	.			trans	-102.3	150	173.2	-57.3	-172.6	11.9	0	0	110.9	H431 C435 P436	H431-Q438 PolarHBondContact CE1-O 3.31Å; H431-Q438 VanDerWaalsContact CE1-O 3.27Å; C435-Q438 HydrophobicContact CB-CB 4.48Å; C435-Q438 PolarHBondContact O-N 3.47Å; P436-Q438 VanDerWaalsContact C-N 3.31Å; P436-Q438 PolarHBondContact O-N 2.87Å
439	T	81.3	Confident	89.8	Confident	108 Å²	108	64.6 Å²	64.6	66%	0.663	37%	0.371	S	S	*	.			trans	-114.1	131.2	175.6	53.5	0	0	0	0	109.8
440	G	86.3	Confident	89.7	Confident	8 Å²	8	63 Å²	63	8%	0.082	37%	0.365	C	S	.	.	S	Bend	trans	89.5	174.2	-165.6	0	0	0	0	0	113.2	P100 N101 H431	P100-G440 PolarHBondContact O-N 2.72Å; N101-G440 VanDerWaalsContact O-CA 3.27Å; N101-G440 WeakPolarHBondContact O-CA 3.38Å; H431-G440 PolarHBondContact NE2-O 3.36Å
441	L	88.6	Confident	89.6	Confident	50 Å²	50	64.5 Å²	64.5	26%	0.262	38%	0.375	S	S	.	.			trans	-70.9	130.8	-178.4	-162.6	71.9	0	0	0	110.1	V48 M445 D446	V48-L441 HydrophobicContact CG2-CD1 4.21Å; L441-M445 HydrophobicContact CD1-CB 3.58Å; L441-M445 HydrophobicContact CD1-CE 4.3Å; L441-M445 HydrophobicContact CD1-SD 4.43Å; L441-M445 HydrophobicContact CG-CB 4.18Å; L441-D446 HydrophobicContact CD2-CB 3.95Å; L441-D446 HydrophobicContact CG-CB 4.49Å
442	C	90.7	Very high	89.6	Confident	13 Å²	13	68.4 Å²	68.4	9%	0.088	39%	0.392	C	S	.	.			trans	-104.7	165	176.5	80.2	0	0	0	0	112	C435 A444 M445 D446	C435-C442 VanDerWaalsContact CA-SG 3.54Å; C435-C442 HydrophobicContact CB-CB 3.8Å; C435-C442 WeakPolarHBondContact CB-SG 3.5Å; C435-C442 WeakPolarHBondContact SG-CB 3.11Å; C435-C442 CovalentContact SG-SG 2.04Å; C435-C442 PolarHBondContact SG-SG 2.96Å; C442-A444 PolarHBondContact O-N 2.97Å; C442-M445 PolarHBondContact O-N 3.42Å; C442-D446 PolarHBondContact O-N 3.32Å
443	E	88.5	Confident	89.7	Confident	189 Å²	189	63.2 Å²	63.2	88%	0.883	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-55.3	-25.8	-177.5	-62.6	-176.8	162.9	0	0	114	M445	E443-M445 PolarHBondContact O-N 3Å
444	A	89.1	Confident	89.9	Confident	53 Å²	53	56.9 Å²	56.9	44%	0.438	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-71.4	-6.9	175.4	0	0	0	0	0	114.2	L434 C442	L434-A444 HydrophobicContact CB-CB 4.23Å; C442-A444 PolarHBondContact O-N 2.97Å
445	M	90.6	Very high	90	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.02	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-128.4	9.2	179.4	-63.2	-176.7	69	0	0	113.3	M430 H431 L434 C435 L441 C442 E443 P447 I448	M430-M445 HydrophobicContact CB-CE 4.28Å; M430-M445 HydrophobicContact CE-CG 4.45Å; M430-M445 HydrophobicContact CG-CE 3.89Å; M430-M445 HydrophobicContact CG-SD 4.36Å; M430-M445 HydrophobicContact SD-CE 4.08Å; H431-M445 VanDerWaalsContact CA-SD 3.59Å; H431-M445 HydrophobicContact CB-CE 4.26Å; H431-M445 HydrophobicContact CB-SD 3.87Å; L434-M445 HydrophobicContact CB-CG 4.38Å; L434-M445 HydrophobicContact CD1-CG 4.27Å; C435-M445 VanDerWaalsContact SG-SD 3.64Å; L441-M445 HydrophobicContact CD1-CB 3.58Å; L441-M445 HydrophobicContact CD1-CE 4.3Å; L441-M445 HydrophobicContact CD1-SD 4.43Å; L441-M445 HydrophobicContact CG-CB 4.18Å; C442-M445 PolarHBondContact O-N 3.42Å; E443-M445 PolarHBondContact O-N 3Å; M445-P447 VanDerWaalsContact C-C 3.49Å; M445-P447 CarbonylContact C-O 3.44Å; M445-P447 CarbonylContact O-C 3.55Å; M445-P447 VanDerWaalsContact O-C 3.24Å; M445-I448 HydrophobicContact CB-CG1 4.45Å; M445-I448 WeakPolarHBondContact O-CG1 3.47Å; M445-I448 PolarHBondContact O-N 3.31Å
446	D	85.9	Confident	90.2	Very high	103 Å²	103	59.7 Å²	59.7	55%	0.551	35%	0.353	S	S	*	.	S	Bend	trans	-122.9	98.1	176.4	-164.3	12.3	0	0	0	111.1	L441 C442	L441-D446 HydrophobicContact CD2-CB 3.95Å; L441-D446 HydrophobicContact CG-CB 4.49Å; C442-D446 PolarHBondContact O-N 3.32Å
447	P	85.9	Confident	90.5	Very high	85 Å²	85	55.1 Å²	55.1	55%	0.552	32%	0.323	S	S	*	.	S	Bend	cis	-79.3	163.1	-0.2	34.2	-36.8	0	0	0	113.7	P158 M445 D449	P158-P447 HydrophobicContact CG-CB 4.11Å; M445-P447 VanDerWaalsContact C-C 3.49Å; M445-P447 CarbonylContact C-O 3.44Å; M445-P447 CarbonylContact O-C 3.55Å; M445-P447 VanDerWaalsContact O-C 3.24Å; P447-D449 PolarHBondContact O-N 2.83Å
448	I	90.4	Very high	91.1	Very high	33 Å²	33	53.3 Å²	53.3	17%	0.169	29%	0.291	C	S	.	.			trans	-73.3	125.3	177.2	-61.4	-178.4	0	0	0	110.9	V48 A160 L427 M430 M445 G450 L453	V48-I448 HydrophobicContact CB-CD1 4.36Å; V48-I448 HydrophobicContact CG1-CD1 3.64Å; V48-I448 HydrophobicContact CG2-CD1 3.74Å; A160-I448 HydrophobicContact CB-CB 4.4Å; A160-I448 HydrophobicContact CB-CD1 3.96Å; A160-I448 HydrophobicContact CB-CG2 4.4Å; L427-I448 HydrophobicContact CD2-CD1 3.61Å; M430-I448 HydrophobicContact CE-CG2 4.13Å; M430-I448 HydrophobicContact SD-CG2 4.22Å; M445-I448 HydrophobicContact CB-CG1 4.45Å; M445-I448 WeakPolarHBondContact O-CG1 3.47Å; M445-I448 PolarHBondContact O-N 3.31Å; I448-G450 PolarHBondContact O-N 3.06Å; I448-L453 HydrophobicContact CG2-CB 4.41Å; I448-L453 HydrophobicContact CG2-CD2 4.21Å
449	D	90.5	Very high	91.5	Very high	57 Å²	57	55.2 Å²	55.2	31%	0.305	30%	0.298	S	S	.	.			trans	-80.3	102	170.8	-179.7	-1	0	0	0	110.5	P447 S451 K452 L453	P447-D449 PolarHBondContact O-N 2.83Å; D449-S451 PolarHBondContact O-N 3.5Å; D449-S451 VanDerWaalsContact O-N 3.16Å; D449-S451 WeakPolarHBondContact OD1-CB 3Å; D449-S451 PolarHBondContact OD1-N 3.42Å; D449-S451 PolarHBondContact OD1-OG 3.4Å; D449-K452 HydrophobicContact CB-CB 4.44Å; D449-K452 HydrophobicContact CB-CD 4.09Å; D449-K452 HydrophobicContact CB-CG 4.3Å; D449-K452 PolarHBondContact O-N 3.48Å; D449-K452 WeakPolarHBondContact OD2-CD 3.39Å; D449-K452 WeakPolarHBondContact OD2-CE 3.32Å; D449-K452 WeakPolarHBondContact OD2-CG 3.38Å; D449-K452 IonicContact OD2-NZ 2.71Å; D449-L453 PolarHBondContact O-N 2.85Å
450	G	92.4	Very high	92.1	Very high	10 Å²	10	50.1 Å²	50.1	10%	0.103	27%	0.267	C	S	.	.	H	α-helix	trans	-60.3	-21.3	179	0	0	0	0	0	114.5	N182 I448 L453 L454	N182-G450 CarbonylContact O-C 3.54Å; N182-G450 VanDerWaalsContact O-CA 3.28Å; N182-G450 WeakPolarHBondContact O-CA 3.01Å; I448-G450 PolarHBondContact O-N 3.06Å; G450-L453 PolarHBondContact O-N 3.26Å; G450-L454 PolarHBondContact O-N 3.03Å
451	S	93.9	Very high	92.5	Very high	30 Å²	30	52.4 Å²	52.4	21%	0.21	28%	0.281	C	S	.	.	H	α-helix	trans	-65.3	-43	172.6	-25	0	0	0	0	111.3	N182 D449	N182-S451 PolarHBondContact ND2-OG 2.83Å; D449-S451 PolarHBondContact O-N 3.5Å; D449-S451 VanDerWaalsContact O-N 3.16Å; D449-S451 WeakPolarHBondContact OD1-CB 3Å; D449-S451 PolarHBondContact OD1-N 3.42Å; D449-S451 PolarHBondContact OD1-OG 3.4Å
452	K	94.9	Very high	92.8	Very high	93 Å²	93	50.6 Å²	50.6	40%	0.404	27%	0.271	S	S	.	.	H	α-helix	trans	-74.9	-39.1	175.1	-66.1	172.9	-168.6	160	0	111.3	M430 D449 L454 D455 Y456	M430-K452 HydrophobicContact CE-CB 4.01Å; D449-K452 HydrophobicContact CB-CB 4.44Å; D449-K452 HydrophobicContact CB-CD 4.09Å; D449-K452 HydrophobicContact CB-CG 4.3Å; D449-K452 PolarHBondContact O-N 3.48Å; D449-K452 WeakPolarHBondContact OD2-CD 3.39Å; D449-K452 WeakPolarHBondContact OD2-CE 3.32Å; D449-K452 WeakPolarHBondContact OD2-CG 3.38Å; D449-K452 IonicContact OD2-NZ 2.71Å; K452-L454 PolarHBondContact O-N 3Å; K452-D455 WeakPolarHBondContact O-CA 3.09Å; K452-D455 WeakPolarHBondContact O-CB 3.45Å; K452-D455 PolarHBondContact O-N 2.9Å; K452-Y456 HydrophobicContact CB-CE2 4.42Å; K452-Y456 WeakPolarHBondContact O-CD2 3.4Å; K452-Y456 PolarHBondContact O-N 2.77Å; K452-Y456 VanDerWaalsContact O-N 3.17Å
453	L	96.4	Very high	92.9	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-58.2	-38.7	178.1	-176.9	56.4	0	0	0	111.3	A160 P184 M423 L427 M430 I448 D449 G450 D455 Y456 L457	A160-L453 HydrophobicContact CB-CD2 4.47Å; A160-L453 WeakPolarHBondContact O-CD2 3.26Å; P184-L453 HydrophobicContact CG-CD2 3.97Å; P184-L453 HydrophobicContact CG-CG 4.24Å; M423-L453 HydrophobicContact SD-CD2 4.19Å; L427-L453 HydrophobicContact CD2-CD1 3.84Å; L427-L453 HydrophobicContact CD2-CD2 3.97Å; L427-L453 HydrophobicContact CG-CD1 4.06Å; M430-L453 HydrophobicContact SD-CB 4.09Å; M430-L453 HydrophobicContact SD-CD1 4.05Å; I448-L453 HydrophobicContact CG2-CB 4.41Å; I448-L453 HydrophobicContact CG2-CD2 4.21Å; D449-L453 PolarHBondContact O-N 2.85Å; G450-L453 PolarHBondContact O-N 3.26Å; L453-D455 VanDerWaalsContact C-N 3.34Å; L453-D455 PolarHBondContact O-N 2.69Å; L453-Y456 PolarHBondContact O-N 3.09Å; L453-L457 HydrophobicContact CD1-CD1 4.47Å; L453-L457 HydrophobicContact CD1-CG 4.22Å; L453-L457 HydrophobicContact CG-CD1 3.95Å; L453-L457 HydrophobicContact CG-CG 4.21Å; L453-L457 WeakPolarHBondContact O-CB 3.48Å; L453-L457 VanDerWaalsContact O-CG 3.25Å; L453-L457 WeakPolarHBondContact O-CG 3.35Å; L453-L457 PolarHBondContact O-N 3.03Å
454	L	96.5	Very high	93	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-55.9	-44.8	171	178.1	64.4	0	0	0	112.6	K202 Y203 L205 G450 K452 Y456 L457 L458	K202-L454 HydrophobicContact CD-CD2 4.28Å; K202-L454 HydrophobicContact CG-CD2 4.09Å; K202-L454 WeakPolarHBondContact O-CD2 3.17Å; Y203-L454 HydrophobicContact CD1-CB 4.25Å; Y203-L454 HydrophobicContact CD1-CD2 3.76Å; Y203-L454 HydrophobicContact CD1-CG 4.47Å; Y203-L454 HydrophobicContact CE1-CB 4.25Å; Y203-L454 HydrophobicContact CE1-CD2 3.86Å; Y203-L454 HydrophobicContact CG-CD2 4.31Å; L205-L454 HydrophobicContact CD1-CD1 3.8Å; L205-L454 HydrophobicContact CG-CD1 4.4Å; G450-L454 PolarHBondContact O-N 3.03Å; K452-L454 PolarHBondContact O-N 3Å; L454-Y456 VanDerWaalsContact C-N 3.27Å; L454-Y456 PolarHBondContact O-N 3.42Å; L454-L457 PolarHBondContact O-N 3.06Å; L454-L458 HydrophobicContact CD1-CD1 4.01Å; L454-L458 HydrophobicContact CD1-CG 4.15Å; L454-L458 HydrophobicContact CG-CD1 4.07Å; L454-L458 WeakPolarHBondContact O-CG 3.45Å; L454-L458 PolarHBondContact O-N 2.98Å
455	D	95.7	Very high	93	Very high	80 Å²	80	50.6 Å²	50.6	43%	0.428	26%	0.259	S	S	.	.	H	α-helix	trans	-67.6	-23.5	-179.9	-66.6	-24.3	0	0	0	113.1	K452 L453 K459	K452-D455 WeakPolarHBondContact O-CA 3.09Å; K452-D455 WeakPolarHBondContact O-CB 3.45Å; K452-D455 PolarHBondContact O-N 2.9Å; L453-D455 VanDerWaalsContact C-N 3.34Å; L453-D455 PolarHBondContact O-N 2.69Å; D455-K459 WeakPolarHBondContact O-CG 3.44Å; D455-K459 PolarHBondContact O-NZ 2.98Å
456	Y	97	Very high	92.7	Very high	29 Å²	29	52.1 Å²	52.1	11%	0.114	27%	0.27	C	S	.	.	H	α-helix	trans	-86	-40.1	170.6	-67.7	-74.9	0	0	0	111.9	D429 M430 E433 K452 L453 L454 L458 K459 T460	D429-Y456 HydrophobicContact CB-CD1 4.48Å; M430-Y456 HydrophobicContact CB-CD1 4.41Å; M430-Y456 HydrophobicContact CB-CD2 3.46Å; M430-Y456 VanDerWaalsContact CB-CD2 3.46Å; M430-Y456 HydrophobicContact CB-CE2 3.82Å; M430-Y456 HydrophobicContact CB-CG 3.81Å; M430-Y456 HydrophobicContact CG-CD2 3.61Å; M430-Y456 HydrophobicContact CG-CE2 3.62Å; M430-Y456 HydrophobicContact CG-CG 4.45Å; M430-Y456 HydrophobicContact SD-CD2 4.19Å; M430-Y456 HydrophobicContact SD-CE2 4.49Å; E433-Y456 HydrophobicContact CB-CE1 4.14Å; E433-Y456 PolarHBondContact OE1-OH 2.95Å; K452-Y456 HydrophobicContact CB-CE2 4.42Å; K452-Y456 WeakPolarHBondContact O-CD2 3.4Å; K452-Y456 PolarHBondContact O-N 2.77Å; K452-Y456 VanDerWaalsContact O-N 3.17Å; L453-Y456 PolarHBondContact O-N 3.09Å; L454-Y456 VanDerWaalsContact C-N 3.27Å; L454-Y456 PolarHBondContact O-N 3.42Å; Y456-L458 PolarHBondContact O-N 2.94Å; Y456-K459 PolarHBondContact O-N 3.31Å; Y456-T460 PolarHBondContact O-N 2.99Å; Y456-T460 VanDerWaalsContact O-N 3.1Å
457	L	96.8	Very high	92.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-57.9	-44.7	176.9	-76.2	171.2	0	0	0	112	P184 I186 L205 A422 M423 L453 L454 K459 T460 F472	P184-L457 HydrophobicContact CB-CD1 3.84Å; P184-L457 HydrophobicContact CG-CD1 4.07Å; I186-L457 HydrophobicContact CD1-CD1 4.32Å; I186-L457 HydrophobicContact CD1-CD2 3.88Å; L205-L457 HydrophobicContact CD1-CD1 4.31Å; L205-L457 HydrophobicContact CD2-CB 3.96Å; A422-L457 VanDerWaalsContact O-CD2 3.31Å; A422-L457 WeakPolarHBondContact O-CD2 3.47Å; M423-L457 HydrophobicContact SD-CD1 4.37Å; L453-L457 HydrophobicContact CD1-CD1 4.47Å; L453-L457 HydrophobicContact CD1-CG 4.22Å; L453-L457 HydrophobicContact CG-CD1 3.95Å; L453-L457 HydrophobicContact CG-CG 4.21Å; L453-L457 WeakPolarHBondContact O-CB 3.48Å; L453-L457 VanDerWaalsContact O-CG 3.25Å; L453-L457 WeakPolarHBondContact O-CG 3.35Å; L453-L457 PolarHBondContact O-N 3.03Å; L454-L457 PolarHBondContact O-N 3.06Å; L457-K459 PolarHBondContact O-N 3.17Å; L457-K459 VanDerWaalsContact O-N 3.17Å; L457-T460 PolarHBondContact O-N 3.29Å; L457-F472 WeakPolarHBondContact O-CD2 3.48Å; L457-F472 WeakPolarHBondContact O-CE2 3.25Å
458	L	95.4	Very high	92.7	Very high	55 Å²	55	46.1 Å²	46.1	29%	0.288	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-13.7	177.3	-72.7	168.7	0	0	0	114.2	L205 L454 Y456 F472	L205-L458 HydrophobicContact CD2-CD2 3.74Å; L205-L458 HydrophobicContact CD2-CG 4.09Å; L205-L458 HydrophobicContact CG-CD2 4.42Å; L454-L458 HydrophobicContact CD1-CD1 4.01Å; L454-L458 HydrophobicContact CD1-CG 4.15Å; L454-L458 HydrophobicContact CG-CD1 4.07Å; L454-L458 WeakPolarHBondContact O-CG 3.45Å; L454-L458 PolarHBondContact O-N 2.98Å; Y456-L458 PolarHBondContact O-N 2.94Å; L458-F472 HydrophobicContact CD2-CB 4.47Å
459	K	94.9	Very high	92.8	Very high	157 Å²	157	50.7 Å²	50.7	68%	0.683	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-8.2	-178.4	-60.8	-173	-165.9	98.1	0	114.1	D455 Y456 L457	D455-K459 WeakPolarHBondContact O-CG 3.44Å; D455-K459 PolarHBondContact O-NZ 2.98Å; Y456-K459 PolarHBondContact O-N 3.31Å; L457-K459 PolarHBondContact O-N 3.17Å; L457-K459 VanDerWaalsContact O-N 3.17Å
460	T	93.3	Very high	92.9	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.012	25%	0.247	C	C	.	.			trans	-77	136	-175.7	-155.6	0	0	0	0	110.4	H425 D429 Y456 L457 F462 F472	H425-T460 HydrophobicContact CB-CG2 4.39Å; H425-T460 WeakPolarHBondContact CB-OG1 3.24Å; D429-T460 PolarHBondContact OD2-OG1 2.84Å; Y456-T460 PolarHBondContact O-N 2.99Å; Y456-T460 VanDerWaalsContact O-N 3.1Å; L457-T460 PolarHBondContact O-N 3.29Å; T460-F462 HydrophobicContact CG2-CD1 4.46Å; T460-F472 HydrophobicContact CG2-CE2 4.44Å
461	S	95.1	Very high	93	Very high	55 Å²	55	52.7 Å²	52.7	39%	0.385	26%	0.261	S	S	.	.			trans	-125.1	134.8	167.8	175.9	0	0	0	0	108.9	E469 I470	S461-E469 VanDerWaalsContact OG-CG 3.27Å; S461-E469 WeakPolarHBondContact OG-CG 3.48Å; S461-E469 PolarHBondContact OG-OE1 2.9Å; S461-I470 WeakPolarHBondContact CA-O 3.42Å
462	F	94.5	Very high	93	Very high	13 Å²	13	51.9 Å²	51.9	6%	0.057	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	166	177.3	67.5	-80.6	0	0	0	110.7	N418 A422 H425 T460 I470	N418-F462 HydrophobicContact CB-CZ 4.47Å; N418-F462 WeakPolarHBondContact O-CZ 3.08Å; A422-F462 HydrophobicContact CB-CE1 3.69Å; A422-F462 HydrophobicContact CB-CZ 3.94Å; H425-F462 HydrophobicContact CB-CD1 4.44Å; H425-F462 AromaticContact CD2-CD2 3.96Å; H425-F462 AromaticContact CD2-CG 3.62Å; H425-F462 AromaticContact NE2-CG 4Å; T460-F462 HydrophobicContact CG2-CD1 4.46Å; F462-I470 HydrophobicContact CD1-CB 4.33Å; F462-I470 HydrophobicContact CD1-CG2 4.44Å; F462-I470 HydrophobicContact CE1-CB 3.83Å; F462-I470 HydrophobicContact CE1-CG2 3.57Å; F462-I470 HydrophobicContact CE2-CB 4.14Å; F462-I470 HydrophobicContact CE2-CG1 4.3Å; F462-I470 HydrophobicContact CE2-CG2 4.45Å; F462-I470 HydrophobicContact CZ-CB 3.72Å; F462-I470 HydrophobicContact CZ-CG1 4.19Å; F462-I470 HydrophobicContact CZ-CG2 3.57Å; F462-I470 PolarHBondContact N-O 3.35Å; F462-I470 PolarHBondContact O-N 3.22Å
463	R	93.8	Very high	92.9	Very high	194 Å²	194	50.4 Å²	50.4	73%	0.732	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	118.7	177.9	-159.7	175.5	-170.4	-159.6	-6.6	110.6	G467 E468	R463-G467 PolarHBondContact NE-O 3.44Å; R463-G467 PolarHBondContact NH2-O 2.66Å; R463-E468 CarbonylContact C-O 3.54Å; R463-E468 VanDerWaalsContact CA-O 3.3Å; R463-E468 WeakPolarHBondContact CA-O 3.16Å; R463-E468 WeakPolarHBondContact CG-O 3.07Å
464	G	89.7	Confident	92.7	Very high	9 Å²	9	59.3 Å²	59.3	9%	0.093	29%	0.291	C	S	.	.			trans	-71.9	173.9	179	0	0	0	0	0	113.6	N418 S466 G467 E468	N418-G464 WeakPolarHBondContact OD1-CA 3.32Å; G464-S466 VanDerWaalsContact C-N 3.27Å; G464-S466 PolarHBondContact O-N 2.94Å; G464-G467 PolarHBondContact O-N 2.81Å; G464-E468 WeakPolarHBondContact CA-OE2 3.35Å; G464-E468 PolarHBondContact N-O 3.48Å
465	V	90.1	Very high	92.6	Very high	52 Å²	52	62.6 Å²	62.6	32%	0.315	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-21.5	-172.8	-63.3	0	0	0	0	115	V350 I417 N418 G467	V350-V465 HydrophobicContact CG2-CB 4.49Å; V350-V465 HydrophobicContact CG2-CG2 4.07Å; I417-V465 HydrophobicContact CB-CG1 4.13Å; I417-V465 HydrophobicContact CG2-CG1 3.52Å; N418-V465 PolarHBondContact OD1-N 3.31Å; V465-G467 VanDerWaalsContact C-N 3.3Å
466	S	84.2	Confident	92.5	Very high	36 Å²	36	58.8 Å²	58.8	25%	0.252	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	6.7	175.1	-38.9	0	0	0	0	111.7	E348 G464 E468	E348-S466 PolarHBondContact N-OG 2.85Å; G464-S466 VanDerWaalsContact C-N 3.27Å; G464-S466 PolarHBondContact O-N 2.94Å; S466-E468 VanDerWaalsContact C-N 3.31Å; S466-E468 WeakPolarHBondContact CA-OE2 3.43Å; S466-E468 WeakPolarHBondContact CB-OE2 3.5Å; S466-E468 PolarHBondContact N-OE2 3.4Å
467	G	85.4	Confident	92.3	Very high	28 Å²	28	58 Å²	58	29%	0.289	29%	0.286	S	S	.	.	S	Bend	trans	79.8	8.6	-177.7	0	0	0	0	0	115	R463 G464 V465	R463-G467 PolarHBondContact NE-O 3.44Å; R463-G467 PolarHBondContact NH2-O 2.66Å; G464-G467 PolarHBondContact O-N 2.81Å; V465-G467 VanDerWaalsContact C-N 3.3Å
468	E	86.7	Confident	92	Very high	33 Å²	33	58.5 Å²	58.5	15%	0.154	29%	0.29	C	S	.	.			trans	-72.8	160.9	172.7	76.8	-76.8	-158.3	0	0	112.5	N418 R463 G464 S466 I470	N418-E468 PolarHBondContact ND2-OE1 2.64Å; R463-E468 CarbonylContact C-O 3.54Å; R463-E468 VanDerWaalsContact CA-O 3.3Å; R463-E468 WeakPolarHBondContact CA-O 3.16Å; R463-E468 WeakPolarHBondContact CG-O 3.07Å; G464-E468 WeakPolarHBondContact CA-OE2 3.35Å; G464-E468 PolarHBondContact N-O 3.48Å; S466-E468 VanDerWaalsContact C-N 3.31Å; S466-E468 WeakPolarHBondContact CA-OE2 3.43Å; S466-E468 WeakPolarHBondContact CB-OE2 3.5Å; S466-E468 PolarHBondContact N-OE2 3.4Å; E468-I470 HydrophobicContact CG-CD1 3.56Å; E468-I470 HydrophobicContact CG-CG1 3.98Å
469	E	91.2	Very high	91.6	Very high	130 Å²	130	58.1 Å²	58.1	61%	0.607	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	126.2	166.6	-171.3	171.2	-177.8	0	0	109.4	S461 Y471	S461-E469 VanDerWaalsContact OG-CG 3.27Å; S461-E469 WeakPolarHBondContact OG-CG 3.48Å; S461-E469 PolarHBondContact OG-OE1 2.9Å; E469-Y471 HydrophobicContact CG-CD1 4.36Å
470	I	92.9	Very high	91	Very high	10 Å²	10	50.8 Å²	50.8	5%	0.051	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	115.7	176.9	-60.6	-63.5	0	0	0	108.4	V207 S461 F462 E468 T478	V207-I470 HydrophobicContact CG1-CG2 4.29Å; S461-I470 WeakPolarHBondContact CA-O 3.42Å; F462-I470 HydrophobicContact CD1-CB 4.33Å; F462-I470 HydrophobicContact CD1-CG2 4.44Å; F462-I470 HydrophobicContact CE1-CB 3.83Å; F462-I470 HydrophobicContact CE1-CG2 3.57Å; F462-I470 HydrophobicContact CE2-CB 4.14Å; F462-I470 HydrophobicContact CE2-CG1 4.3Å; F462-I470 HydrophobicContact CE2-CG2 4.45Å; F462-I470 HydrophobicContact CZ-CB 3.72Å; F462-I470 HydrophobicContact CZ-CG1 4.19Å; F462-I470 HydrophobicContact CZ-CG2 3.57Å; F462-I470 PolarHBondContact N-O 3.35Å; F462-I470 PolarHBondContact O-N 3.22Å; E468-I470 HydrophobicContact CG-CD1 3.56Å; E468-I470 HydrophobicContact CG-CG1 3.98Å; I470-T478 HydrophobicContact CG2-CG2 4.11Å
471	Y	94.3	Very high	90.9	Very high	99 Å²	99	55.4 Å²	55.4	39%	0.388	28%	0.276	S	S	.	.			trans	-141.2	161.3	172.3	67.7	-88.6	0	0	0	108.9	E469 T478 P479	E469-Y471 HydrophobicContact CG-CD1 4.36Å; Y471-T478 WeakPolarHBondContact O-CG2 3.02Å; Y471-P479 HydrophobicContact CE1-CG 3.82Å
472	F	95.3	Very high	90.8	Very high	13 Å²	13	52.9 Å²	52.9	6%	0.057	26%	0.258	C	S	.	.			trans	-105.2	147.2	176	-55.3	-80.4	0	0	0	111.1	L205 R206 V207 A422 L457 L458 T460 G476 D477 T478	L205-F472 HydrophobicContact CB-CD1 4.23Å; L205-F472 HydrophobicContact CB-CE1 3.96Å; L205-F472 HydrophobicContact CB-CZ 4.4Å; L205-F472 HydrophobicContact CD2-CD1 4.19Å; L205-F472 HydrophobicContact CD2-CD2 4.01Å; L205-F472 HydrophobicContact CD2-CE1 4.27Å; L205-F472 HydrophobicContact CD2-CE2 4.1Å; L205-F472 HydrophobicContact CD2-CG 4.05Å; L205-F472 HydrophobicContact CD2-CZ 4.22Å; R206-F472 WeakPolarHBondContact O-CE1 3.47Å; V207-F472 HydrophobicContact CG1-CE1 3.9Å; V207-F472 HydrophobicContact CG1-CZ 3.84Å; A422-F472 HydrophobicContact CB-CE2 4.34Å; A422-F472 HydrophobicContact CB-CZ 4.07Å; L457-F472 WeakPolarHBondContact O-CD2 3.48Å; L457-F472 WeakPolarHBondContact O-CE2 3.25Å; L458-F472 HydrophobicContact CD2-CB 4.47Å; T460-F472 HydrophobicContact CG2-CE2 4.44Å; F472-G476 WeakPolarHBondContact CD1-O 3.26Å; F472-D477 WeakPolarHBondContact CA-O 2.98Å; F472-T478 HydrophobicContact CD1-CG2 4.35Å; F472-T478 HydrophobicContact CE1-CG2 4.4Å
473	D	92.7	Very high	90.7	Very high	61 Å²	61	53.3 Å²	53.3	33%	0.326	26%	0.261	S	S	.	.			trans	-83.8	-175.8	169.3	83.4	-26.4	0	0	0	112.3	N475 G476 D477	D473-N475 VanDerWaalsContact CG-N 3.34Å; D473-N475 PolarHBondContact O-N 3.01Å; D473-N475 VanDerWaalsContact O-N 3.14Å; D473-N475 VanDerWaalsContact OD1-CA 3.25Å; D473-N475 WeakPolarHBondContact OD1-CA 3.48Å; D473-N475 WeakPolarHBondContact OD1-CB 3.46Å; D473-N475 PolarHBondContact OD1-N 2.9Å; D473-N475 PolarHBondContact OD2-ND2 2.91Å; D473-G476 PolarHBondContact O-N 3.43Å; D473-G476 PolarHBondContact OD1-N 3.4Å; D473-D477 PolarHBondContact N-O 3.02Å; D473-D477 WeakPolarHBondContact OD1-CB 3.47Å; D473-D477 PolarHBondContact OD1-N 3.37Å
474	E	91.6	Very high	90.8	Very high	187 Å²	187	44.1 Å²	44.1	87%	0.874	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.5	175.6	-60.7	-173.7	171.8	0	0	113.1
475	N	93.6	Very high	91	Very high	72 Å²	72	44.5 Å²	44.5	39%	0.385	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	6.1	177	-51.3	-75.1	0	0	0	112.9	K198 D473 D477	K198-N475 VanDerWaalsContact CE-C 3.45Å; K198-N475 WeakPolarHBondContact CE-O 3.48Å; K198-N475 PolarHBondContact NZ-O 3.19Å; D473-N475 VanDerWaalsContact CG-N 3.34Å; D473-N475 PolarHBondContact O-N 3.01Å; D473-N475 VanDerWaalsContact O-N 3.14Å; D473-N475 VanDerWaalsContact OD1-CA 3.25Å; D473-N475 WeakPolarHBondContact OD1-CA 3.48Å; D473-N475 WeakPolarHBondContact OD1-CB 3.46Å; D473-N475 PolarHBondContact OD1-N 2.9Å; D473-N475 PolarHBondContact OD2-ND2 2.91Å; N475-D477 VanDerWaalsContact C-N 3.3Å; N475-D477 PolarHBondContact O-N 2.94Å
476	G	93.3	Very high	91.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	71.3	20.8	-179.5	0	0	0	0	0	114.6	L205 R206 F472 D473	L205-G476 WeakPolarHBondContact CA-O 3.24Å; R206-G476 PolarHBondContact N-O 2.71Å; F472-G476 WeakPolarHBondContact CD1-O 3.26Å; D473-G476 PolarHBondContact O-N 3.43Å; D473-G476 PolarHBondContact OD1-N 3.4Å
477	D	94.1	Very high	91.6	Very high	12 Å²	12	40.4 Å²	40.4	6%	0.064	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-108.9	147	-175.4	-68.6	-14.1	0	0	0	111.7	S196 R206 F472 D473 N475	S196-D477 PolarHBondContact OG-OD2 3.21Å; R206-D477 WeakPolarHBondContact CG-OD1 3.25Å; R206-D477 IonicContact CZ-OD1 2.71Å; R206-D477 VanDerWaalsContact CZ-OD1 3.28Å; R206-D477 IonicContact CZ-OD2 3.84Å; R206-D477 IonicContact NE-OD1 4Å; R206-D477 PolarHBondContact NE-OD1 3.29Å; R206-D477 IonicContact NE-OD2 3.21Å; R206-D477 VanDerWaalsContact NH2-CG 3.31Å; R206-D477 IonicContact NH2-OD1 3.13Å; R206-D477 PolarHBondContact NH2-OD1 2.81Å; R206-D477 VanDerWaalsContact NH2-OD1 3.12Å; R206-D477 IonicContact NH2-OD2 2.72Å; R206-D477 PolarHBondContact NH2-OD2 2.7Å; F472-D477 WeakPolarHBondContact CA-O 2.98Å; D473-D477 PolarHBondContact N-O 3.02Å; D473-D477 WeakPolarHBondContact OD1-CB 3.47Å; D473-D477 PolarHBondContact OD1-N 3.37Å; N475-D477 VanDerWaalsContact C-N 3.3Å; N475-D477 PolarHBondContact O-N 2.94Å
478	T	90.5	Very high	91.9	Very high	11 Å²	11	40.6 Å²	40.6	7%	0.067	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-90.4	151.3	171.4	51.4	0	0	0	0	112.6	V207 V208 P209 I470 Y471 F472	V207-T478 VanDerWaalsContact C-OG1 3.27Å; V207-T478 HydrophobicContact CB-CG2 4.4Å; V208-T478 WeakPolarHBondContact CA-OG1 3.15Å; V208-T478 PolarHBondContact N-OG1 2.82Å; V208-T478 VanDerWaalsContact N-OG1 3.12Å; P209-T478 WeakPolarHBondContact CA-O 3.4Å; I470-T478 HydrophobicContact CG2-CG2 4.11Å; Y471-T478 WeakPolarHBondContact O-CG2 3.02Å; F472-T478 HydrophobicContact CD1-CG2 4.35Å; F472-T478 HydrophobicContact CE1-CG2 4.4Å
479	P	86.8	Confident	92	Very high	46 Å²	46	42.3 Å²	42.3	30%	0.299	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-60.8	150.2	174.8	27.2	-37	0	0	0	113.7	Y471	Y471-P479 HydrophobicContact CE1-CG 3.82Å
480	G	83.1	Confident	91.8	Very high	3 Å²	3	40.4 Å²	40.4	3%	0.031	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-89.7	135	-173.7	0	0	0	0	0	115.8	H504	G480-H504 PolarHBondContact O-ND1 2.85Å
481	R	90.1	Very high	91.3	Very high	99 Å²	99	41.6 Å²	41.6	37%	0.374	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	126.3	167.7	-63.2	177.1	-175.8	-78.2	-14.2	108.7	Q346 H504	Q346-R481 HydrophobicContact CB-CB 3.85Å; Q346-R481 PolarHBondContact N-O 2.76Å; Q346-R481 VanDerWaalsContact N-O 3.08Å; R481-H504 VanDerWaalsContact CZ-NE2 3.28Å; R481-H504 PolarHBondContact NH1-CD2 3.06Å; R481-H504 VanDerWaalsContact NH1-CD2 3.31Å; R481-H504 PolarHBondContact NH1-CE1 3.28Å; R481-H504 VanDerWaalsContact NH1-CE1 3.32Å; R481-H504 PolarHBondContact NH1-NE2 3.08Å; R481-H504 PolarHBondContact NH2-CE1 3.3Å; R481-H504 PolarHBondContact NH2-NE2 2.84Å; R481-H504 VanDerWaalsContact NH2-NE2 3.11Å
482	Y	92.9	Very high	90.7	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138.7	178	-55.3	-86.7	0	0	0	111.6	P209 L213 Q214 A217 K344 L345 S502 W503	P209-Y482 HydrophobicContact CG-CE1 4.31Å; P209-Y482 WeakPolarHBondContact CG-OH 3.35Å; L213-Y482 HydrophobicContact CB-CE2 4.13Å; Q214-Y482 HydrophobicContact CB-CE1 4.32Å; Q214-Y482 HydrophobicContact CG-CE1 4.21Å; Q214-Y482 PolarHBondContact N-OH 3.1Å; A217-Y482 HydrophobicContact CB-CD2 4.5Å; K344-Y482 CarbonylContact O-C 3.5Å; K344-Y482 WeakPolarHBondContact O-CA 3.49Å; L345-Y482 HydrophobicContact CD2-CD1 3.91Å; L345-Y482 HydrophobicContact CD2-CE1 3.46Å; L345-Y482 VanDerWaalsContact CD2-CE1 3.46Å; L345-Y482 HydrophobicContact CG-CE1 4.33Å; Y482-S502 CarbonylContact O-C 3.24Å; Y482-S502 VanDerWaalsContact O-CA 3.29Å; Y482-S502 WeakPolarHBondContact O-CA 3.36Å; Y482-W503 HydrophobicContact CD2-CD2 4.45Å; Y482-W503 AromaticContact CD2-CE3 3.73Å; Y482-W503 HydrophobicContact CD2-CE3 3.73Å; Y482-W503 HydrophobicContact CD2-CZ3 4.26Å; Y482-W503 HydrophobicContact CE2-CE3 4.09Å; Y482-W503 HydrophobicContact CE2-CZ3 4.16Å; Y482-W503 PolarHBondContact N-O 2.86Å; Y482-W503 PolarHBondContact O-N 2.75Å
483	D	93.7	Very high	89.8	Confident	23 Å²	23	52.5 Å²	52.5	12%	0.123	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	134.4	163.6	-64.4	-48.9	0	0	0	108.9	M343 K344 Q346 M485	M343-D483 CarbonylContact C-O 3.5Å; M343-D483 WeakPolarHBondContact CA-O 3.47Å; K344-D483 HydrophobicContact CB-CB 4.33Å; K344-D483 PolarHBondContact N-O 2.65Å; K344-D483 PolarHBondContact O-N 3.04Å; Q346-D483 WeakPolarHBondContact CA-OD2 3.39Å; Q346-D483 PolarHBondContact NE2-OD1 2.82Å; D483-M485 HydrophobicContact CB-SD 4.16Å
484	I	95.4	Very high	89.5	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	120.5	176.4	-50.1	-50.8	0	0	0	108.4	I221 I341 M343 V500 G501 W503 L508 I510	I221-I484 HydrophobicContact CD1-CD1 4Å; I221-I484 HydrophobicContact CD1-CG2 4.27Å; I341-I484 HydrophobicContact CG2-CG2 3.88Å; M343-I484 HydrophobicContact CB-CD1 3.95Å; M343-I484 HydrophobicContact CE-CD1 4.29Å; I484-V500 HydrophobicContact CB-CG2 4.27Å; I484-V500 HydrophobicContact CG2-CG2 3.89Å; I484-V500 WeakPolarHBondContact O-CG2 3.49Å; I484-V500 PolarHBondContact O-N 3.37Å; I484-G501 PolarHBondContact N-O 2.83Å; I484-G501 PolarHBondContact O-N 2.8Å; I484-W503 HydrophobicContact CD1-CB 4.4Å; I484-L508 HydrophobicContact CD1-CD1 4.5Å; I484-L508 HydrophobicContact CG1-CD1 4.13Å; I484-I510 HydrophobicContact CG2-CD1 4.2Å
485	M	94.4	Very high	89.4	Confident	17 Å²	17	50.3 Å²	50.3	8%	0.084	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	144.1	-173.6	-54.4	-58.1	-60.9	0	0	110.2	T342 K344 D483 Y497 I498 N499	T342-M485 HydrophobicContact CG2-CB 4.04Å; T342-M485 PolarHBondContact N-O 3.01Å; T342-M485 PolarHBondContact O-N 3.04Å; K344-M485 HydrophobicContact CB-CG 3.97Å; D483-M485 HydrophobicContact CB-SD 4.16Å; M485-Y497 WeakPolarHBondContact CE-O 3.34Å; M485-I498 CarbonylContact C-O 3.55Å; M485-I498 WeakPolarHBondContact CA-O 3.2Å; M485-N499 HydrophobicContact CE-CB 4.12Å; M485-N499 HydrophobicContact SD-CB 3.79Å
486	N	94	Very high	89.3	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	133.2	178.9	178.8	-132	0	0	0	109.4	G339 G340 Q488 I498 V500 L515 W516	G339-N486 VanDerWaalsContact C-ND2 3.28Å; G339-N486 PolarHBondContact O-ND2 3.05Å; G340-N486 WeakPolarHBondContact O-CA 3.37Å; G340-N486 PolarHBondContact O-ND2 3.3Å; N486-Q488 WeakPolarHBondContact OD1-CG 3.43Å; N486-Q488 PolarHBondContact OD1-NE2 2.73Å; N486-I498 PolarHBondContact N-O 2.83Å; N486-I498 PolarHBondContact O-N 3.33Å; N486-V500 HydrophobicContact CB-CG1 3.7Å; N486-V500 HydrophobicContact CB-CG2 3.96Å; N486-L515 HydrophobicContact CB-CD1 4.21Å; N486-W516 WeakPolarHBondContact OD1-CB 3.37Å; N486-W516 PolarHBondContact OD1-N 3.49Å
487	L	92.3	Very high	89.2	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.01	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	117.6	-179.7	-171.9	75.4	0	0	0	110	V330 A337 G339 G340 F495 Y497	V330-L487 HydrophobicContact CB-CD2 4.41Å; V330-L487 HydrophobicContact CG1-CD2 4.18Å; A337-L487 HydrophobicContact CB-CD2 3.48Å; A337-L487 VanDerWaalsContact CB-CD2 3.48Å; G339-L487 WeakPolarHBondContact CA-O 3.19Å; G339-L487 PolarHBondContact N-O 3.13Å; G340-L487 PolarHBondContact O-N 3.46Å; G340-L487 VanDerWaalsContact O-N 3.11Å; L487-F495 HydrophobicContact CD1-CB 4.36Å; L487-Y497 HydrophobicContact CB-CD1 4.24Å; L487-Y497 HydrophobicContact CB-CE1 4.13Å; L487-Y497 HydrophobicContact CD1-CD1 3.96Å; L487-Y497 HydrophobicContact CD1-CD2 4.2Å; L487-Y497 HydrophobicContact CD1-CE1 3.88Å; L487-Y497 HydrophobicContact CD1-CE2 4.14Å; L487-Y497 HydrophobicContact CD1-CG 4.13Å
488	Q	91.2	Very high	89.1	Confident	32 Å²	32	51.4 Å²	51.4	15%	0.15	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	150.4	-171.5	-51.7	-170.2	-5	0	0	111.6	N486 F495 D496 I498 K514 W516	N486-Q488 WeakPolarHBondContact OD1-CG 3.43Å; N486-Q488 PolarHBondContact OD1-NE2 2.73Å; Q488-F495 CarbonylContact O-C 3.49Å; Q488-F495 WeakPolarHBondContact O-CA 3.45Å; Q488-D496 PolarHBondContact N-O 2.98Å; Q488-D496 PolarHBondContact O-N 3.12Å; Q488-I498 HydrophobicContact CB-CG1 4.05Å; Q488-I498 HydrophobicContact CG-CB 4.23Å; Q488-I498 HydrophobicContact CG-CG1 3.93Å; Q488-K514 PolarHBondContact NE2-O 3.29Å; Q488-W516 HydrophobicContact CB-CB 4.45Å; Q488-W516 HydrophobicContact CG-CB 3.78Å
489	N	88.6	Confident	89.2	Confident	69 Å²	69	54.3 Å²	54.3	37%	0.369	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	117.4	166.7	-173.5	-17.4	0	0	0	109	G491 R494 F495	N489-G491 PolarHBondContact OD1-N 3.44Å; N489-R494 PolarHBondContact OD1-O 2.94Å; N489-F495 HydrophobicContact CB-CD1 4.05Å; N489-F495 HydrophobicContact CB-CE1 3.78Å; N489-F495 HydrophobicContact CB-CZ 4.24Å
490	V	86.9	Confident	89.6	Confident	91 Å²	91	52.3 Å²	52.3	55%	0.552	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	-1.2	-174.9	-166.9	0	0	0	0	111.7	R494 D496 I498	V490-R494 PolarHBondContact N-O 3.24Å; V490-D496 HydrophobicContact CG2-CB 3.65Å; V490-I498 HydrophobicContact CG2-CD1 4.3Å
491	G	82.1	Confident	90.1	Very high	35 Å²	35	52.6 Å²	52.6	36%	0.361	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	120	158.5	-177.4	0	0	0	0	0	112.4	N489 E493 R494	N489-G491 PolarHBondContact OD1-N 3.44Å; G491-E493 VanDerWaalsContact C-N 3.27Å; G491-E493 PolarHBondContact O-N 3.39Å; G491-R494 VanDerWaalsContact O-CB 3.25Å; G491-R494 WeakPolarHBondContact O-CB 3.45Å; G491-R494 PolarHBondContact O-N 3.04Å
492	D	81.6	Confident	90.4	Very high	172 Å²	172	49.8 Å²	49.8	92%	0.92	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	43.4	178.8	-61.5	-14.6	0	0	0	114.3	R494	D492-R494 PolarHBondContact O-N 2.77Å; D492-R494 VanDerWaalsContact O-N 3.09Å
493	E	77.4	Confident	90.5	Very high	169 Å²	169	50 Å²	50	79%	0.79	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	14.5	-176.5	-58.2	-176.6	162.1	0	0	114.8	G491 F495	G491-E493 VanDerWaalsContact C-N 3.27Å; G491-E493 PolarHBondContact O-N 3.39Å; E493-F495 VanDerWaalsContact O-CD2 3.3Å; E493-F495 WeakPolarHBondContact O-CD2 3.48Å; E493-F495 WeakPolarHBondContact O-CE2 3.35Å
494	R	86.4	Confident	90.3	Very high	171 Å²	171	51.4 Å²	51.4	65%	0.645	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	124.3	179.6	-173	179.3	176.7	180	-2.6	111.5	N489 V490 G491 D492	N489-R494 PolarHBondContact OD1-O 2.94Å; V490-R494 PolarHBondContact N-O 3.24Å; G491-R494 VanDerWaalsContact O-CB 3.25Å; G491-R494 WeakPolarHBondContact O-CB 3.45Å; G491-R494 PolarHBondContact O-N 3.04Å; D492-R494 PolarHBondContact O-N 2.77Å; D492-R494 VanDerWaalsContact O-N 3.09Å
495	F	89.9	Confident	89.7	Confident	31 Å²	31	58 Å²	58	14%	0.136	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	146.6	175.8	-62.2	-100.4	0	0	0	111.9	E334 E335 E338 L487 Q488 N489 E493	E334-F495 HydrophobicContact CB-CB 3.92Å; E334-F495 HydrophobicContact CB-CD1 4.13Å; E334-F495 HydrophobicContact CB-CD2 3.41Å; E334-F495 VanDerWaalsContact CB-CD2 3.41Å; E334-F495 HydrophobicContact CB-CE2 3.89Å; E334-F495 HydrophobicContact CB-CG 3.55Å; E334-F495 HydrophobicContact CB-CZ 4.42Å; E334-F495 HydrophobicContact CG-CB 4.17Å; E334-F495 HydrophobicContact CG-CD2 4.12Å; E334-F495 HydrophobicContact CG-CG 4.29Å; E335-F495 HydrophobicContact CG-CZ 4.32Å; E338-F495 HydrophobicContact CB-CE1 4.06Å; E338-F495 HydrophobicContact CG-CE1 3.95Å; L487-F495 HydrophobicContact CD1-CB 4.36Å; Q488-F495 CarbonylContact O-C 3.49Å; Q488-F495 WeakPolarHBondContact O-CA 3.45Å; N489-F495 HydrophobicContact CB-CD1 4.05Å; N489-F495 HydrophobicContact CB-CE1 3.78Å; N489-F495 HydrophobicContact CB-CZ 4.24Å; E493-F495 VanDerWaalsContact O-CD2 3.3Å; E493-F495 WeakPolarHBondContact O-CD2 3.48Å; E493-F495 WeakPolarHBondContact O-CE2 3.35Å
496	D	90.4	Very high	89.2	Confident	43 Å²	43	59.2 Å²	59.2	23%	0.23	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	158	178.5	-147.4	-26.1	0	0	0	111.6	Y327 Q488 V490 I498	Y327-D496 PolarHBondContact OH-OD1 3.37Å; Q488-D496 PolarHBondContact N-O 2.98Å; Q488-D496 PolarHBondContact O-N 3.12Å; V490-D496 HydrophobicContact CG2-CB 3.65Å; D496-I498 HydrophobicContact CB-CD1 4.33Å
497	Y	91.4	Very high	89.1	Confident	12 Å²	12	65.3 Å²	65.3	5%	0.047	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	103.3	176	-73.8	-75.6	0	0	0	110.3	W323 Y327 V330 T342 M485 L487	W323-Y497 HydrophobicContact CE3-CE1 4.21Å; W323-Y497 HydrophobicContact CZ3-CE1 4.07Å; W323-Y497 PolarHBondContact O-OH 3.2Å; Y327-Y497 HydrophobicContact CD1-CD2 4.23Å; Y327-Y497 HydrophobicContact CD1-CE2 4.28Å; Y327-Y497 AromaticContact CE1-CD2 3.78Å; Y327-Y497 HydrophobicContact CE1-CD2 3.78Å; Y327-Y497 HydrophobicContact CE1-CE2 4.29Å; Y327-Y497 AromaticContact CZ-CD2 3.94Å; V330-Y497 WeakPolarHBondContact CG1-OH 3.41Å; V330-Y497 HydrophobicContact CG2-CE2 4.35Å; T342-Y497 HydrophobicContact CG2-CD1 4.33Å; T342-Y497 HydrophobicContact CG2-CE1 4.04Å; M485-Y497 WeakPolarHBondContact CE-O 3.34Å; L487-Y497 HydrophobicContact CB-CD1 4.24Å; L487-Y497 HydrophobicContact CB-CE1 4.13Å; L487-Y497 HydrophobicContact CD1-CD1 3.96Å; L487-Y497 HydrophobicContact CD1-CD2 4.2Å; L487-Y497 HydrophobicContact CD1-CE1 3.88Å; L487-Y497 HydrophobicContact CD1-CE2 4.14Å; L487-Y497 HydrophobicContact CD1-CG 4.13Å
498	I	92.3	Very high	89.2	Confident	52 Å²	52	67 Å²	67	27%	0.267	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	133	178.9	-53.3	-53.8	0	0	0	109.7	M485 N486 Q488 V490 D496 V500	M485-I498 CarbonylContact C-O 3.55Å; M485-I498 WeakPolarHBondContact CA-O 3.2Å; N486-I498 PolarHBondContact N-O 2.83Å; N486-I498 PolarHBondContact O-N 3.33Å; Q488-I498 HydrophobicContact CB-CG1 4.05Å; Q488-I498 HydrophobicContact CG-CB 4.23Å; Q488-I498 HydrophobicContact CG-CG1 3.93Å; V490-I498 HydrophobicContact CG2-CD1 4.3Å; D496-I498 HydrophobicContact CB-CD1 4.33Å; I498-V500 PolarHBondContact O-N 3.06Å
499	N	93.3	Very high	89.3	Confident	72 Å²	72	70.5 Å²	70.5	39%	0.385	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	120	169.9	-177.5	-33.6	0	0	0	108.9	M485 G501	M485-N499 HydrophobicContact CE-CB 4.12Å; M485-N499 HydrophobicContact SD-CB 3.79Å; N499-G501 PolarHBondContact OD1-N 3.36Å; N499-G501 PolarHBondContact OD1-O 3.42Å
500	V	94	Very high	89.5	Confident	3 Å²	3	68.3 Å²	68.3	2%	0.018	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-5	-178.1	-65.3	0	0	0	0	112.9	I484 N486 I498 D511 K514 L515	I484-V500 HydrophobicContact CB-CG2 4.27Å; I484-V500 HydrophobicContact CG2-CG2 3.89Å; I484-V500 WeakPolarHBondContact O-CG2 3.49Å; I484-V500 PolarHBondContact O-N 3.37Å; N486-V500 HydrophobicContact CB-CG1 3.7Å; N486-V500 HydrophobicContact CB-CG2 3.96Å; I498-V500 PolarHBondContact O-N 3.06Å; V500-D511 PolarHBondContact O-N 2.98Å; V500-K514 HydrophobicContact CB-CB 4.49Å; V500-K514 HydrophobicContact CG1-CB 4.01Å; V500-L515 HydrophobicContact CG1-CD1 4.48Å; V500-L515 HydrophobicContact CG2-CD1 4.17Å
501	G	94.7	Very high	89.6	Confident	9 Å²	9	66.5 Å²	66.5	9%	0.093	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.1	-175	-175.7	0	0	0	0	0	114.8	I484 N499 N509	I484-G501 PolarHBondContact N-O 2.83Å; I484-G501 PolarHBondContact O-N 2.8Å; N499-G501 PolarHBondContact OD1-N 3.36Å; N499-G501 PolarHBondContact OD1-O 3.42Å; G501-N509 CarbonylContact C-O 3.59Å; G501-N509 WeakPolarHBondContact CA-O 3.42Å
502	S	94.8	Very high	89.6	Confident	40 Å²	40	68.8 Å²	68.8	28%	0.28	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	153.9	176.7	59.4	0	0	0	0	112	Y482 N509	Y482-S502 CarbonylContact O-C 3.24Å; Y482-S502 VanDerWaalsContact O-CA 3.29Å; Y482-S502 WeakPolarHBondContact O-CA 3.36Å; S502-N509 PolarHBondContact N-O 3.03Å; S502-N509 PolarHBondContact O-N 2.69Å
503	W	94.7	Very high	89.7	Confident	8 Å²	8	68 Å²	68	3%	0.03	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	131.4	170.6	-174	103.9	0	0	0	109.9	L213 R216 A217 D220 Y482 I484 I507 L508	L213-W503 HydrophobicContact CB-CH2 4.14Å; L213-W503 HydrophobicContact CB-CZ3 4.27Å; L213-W503 HydrophobicContact CD2-CH2 4.34Å; R216-W503 HydrophobicContact CB-CZ2 4.3Å; R216-W503 HydrophobicContact CG-CZ2 4.03Å; A217-W503 HydrophobicContact CB-CB 4.21Å; A217-W503 HydrophobicContact CB-CD2 3.76Å; A217-W503 HydrophobicContact CB-CE3 4.45Å; A217-W503 HydrophobicContact CB-CG 3.65Å; D220-W503 PolarHBondContact OD2-NE1 2.04Å; Y482-W503 HydrophobicContact CD2-CD2 4.45Å; Y482-W503 AromaticContact CD2-CE3 3.73Å; Y482-W503 HydrophobicContact CD2-CE3 3.73Å; Y482-W503 HydrophobicContact CD2-CZ3 4.26Å; Y482-W503 HydrophobicContact CE2-CE3 4.09Å; Y482-W503 HydrophobicContact CE2-CZ3 4.16Å; Y482-W503 PolarHBondContact N-O 2.86Å; Y482-W503 PolarHBondContact O-N 2.75Å; I484-W503 HydrophobicContact CD1-CB 4.4Å; W503-I507 WeakPolarHBondContact CA-O 3.33Å; W503-L508 HydrophobicContact CB-CD1 4.13Å
504	H	89.5	Confident	90.1	Very high	51 Å²	51	64.9 Å²	64.9	24%	0.236	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	129.6	178.6	179	35.5	0	0	0	109.6	G480 R481 G506 I507	G480-H504 PolarHBondContact O-ND1 2.85Å; R481-H504 VanDerWaalsContact CZ-NE2 3.28Å; R481-H504 PolarHBondContact NH1-CD2 3.06Å; R481-H504 VanDerWaalsContact NH1-CD2 3.31Å; R481-H504 PolarHBondContact NH1-CE1 3.28Å; R481-H504 VanDerWaalsContact NH1-CE1 3.32Å; R481-H504 PolarHBondContact NH1-NE2 3.08Å; R481-H504 PolarHBondContact NH2-CE1 3.3Å; R481-H504 PolarHBondContact NH2-NE2 2.84Å; R481-H504 VanDerWaalsContact NH2-NE2 3.11Å; H504-G506 PolarHBondContact O-N 3.41Å; H504-G506 VanDerWaalsContact O-N 3.14Å; H504-I507 PolarHBondContact N-O 3.12Å; H504-I507 WeakPolarHBondContact O-CB 3.37Å; H504-I507 PolarHBondContact O-N 3.03Å
505	E	83.1	Confident	90	Very high	140 Å²	140	57.8 Å²	57.8	65%	0.654	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	36.7	175.6	-72.3	170.3	-158	0	0	114.5	I507	E505-I507 PolarHBondContact O-N 2.95Å
506	G	85.3	Confident	89.6	Confident	42 Å²	42	61.8 Å²	61.8	43%	0.433	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	-1.3	-178.2	0	0	0	0	0	114.9	H504	H504-G506 PolarHBondContact O-N 3.41Å; H504-G506 VanDerWaalsContact O-N 3.14Å
507	I	91.2	Very high	88.6	Confident	127 Å²	127	60.9 Å²	60.9	65%	0.651	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	112.5	173.6	-54.5	178.3	0	0	0	108.4	W503 H504 E505	W503-I507 WeakPolarHBondContact CA-O 3.33Å; H504-I507 PolarHBondContact N-O 3.12Å; H504-I507 WeakPolarHBondContact O-CB 3.37Å; H504-I507 PolarHBondContact O-N 3.03Å; E505-I507 PolarHBondContact O-N 2.95Å
508	L	94.1	Very high	87.1	Confident	39 Å²	39	63.3 Å²	63.3	20%	0.204	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	129.9	169.6	-177.1	64.1	0	0	0	109.9	D220 I221 L224 I484 W503 I510	D220-L508 HydrophobicContact CB-CB 4.37Å; D220-L508 HydrophobicContact CB-CD2 4.1Å; I221-L508 HydrophobicContact CB-CD2 4.31Å; I221-L508 HydrophobicContact CG1-CD1 4Å; I221-L508 HydrophobicContact CG1-CD2 3.71Å; L224-L508 HydrophobicContact CB-CD2 4.3Å; L224-L508 HydrophobicContact CD2-CD2 3.98Å; I484-L508 HydrophobicContact CD1-CD1 4.5Å; I484-L508 HydrophobicContact CG1-CD1 4.13Å; W503-L508 HydrophobicContact CB-CD1 4.13Å; L508-I510 HydrophobicContact CD1-CD1 3.96Å; L508-I510 HydrophobicContact CD1-CG1 4Å; L508-I510 HydrophobicContact CD2-CD1 4.07Å; L508-I510 HydrophobicContact CG-CD1 4.18Å; L508-I510 HydrophobicContact CG-CG1 4.2Å
509	N	93.8	Very high	85.3	Confident	105 Å²	105	64.2 Å²	64.2	56%	0.561	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128	109.6	174.5	178.5	40.5	0	0	0	109.2	G501 S502	G501-N509 CarbonylContact C-O 3.59Å; G501-N509 WeakPolarHBondContact CA-O 3.42Å; S502-N509 PolarHBondContact N-O 3.03Å; S502-N509 PolarHBondContact O-N 2.69Å
510	I	91.7	Very high	83.3	Confident	22 Å²	22	67.2 Å²	67.2	11%	0.113	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.9	178.6	-73.9	178.7	0	0	0	109.1	I221 L224 I484 L508 L515	I221-I510 HydrophobicContact CG1-CD1 4.11Å; L224-I510 HydrophobicContact CD2-CB 4.14Å; L224-I510 HydrophobicContact CD2-CD1 4.15Å; I484-I510 HydrophobicContact CG2-CD1 4.2Å; L508-I510 HydrophobicContact CD1-CD1 3.96Å; L508-I510 HydrophobicContact CD1-CG1 4Å; L508-I510 HydrophobicContact CD2-CD1 4.07Å; L508-I510 HydrophobicContact CG-CD1 4.18Å; L508-I510 HydrophobicContact CG-CG1 4.2Å; I510-L515 HydrophobicContact CG2-CD2 4.15Å
511	D	89.8	Confident	81.7	Confident	53 Å²	53	74.7 Å²	74.7	28%	0.283	40%	0.403	S	S	.	.			trans	-96	94.4	170.9	-173.4	-7.5	0	0	0	109.6	V500 N513 K514 L515	V500-D511 PolarHBondContact O-N 2.98Å; D511-N513 PolarHBondContact O-N 2.87Å; D511-N513 WeakPolarHBondContact OD1-CB 3.09Å; D511-N513 PolarHBondContact OD1-N 2.83Å; D511-N513 PolarHBondContact OD1-ND2 3.34Å; D511-K514 HydrophobicContact CB-CB 4.45Å; D511-K514 HydrophobicContact CB-CD 4.46Å; D511-K514 HydrophobicContact CB-CG 4.21Å; D511-K514 PolarHBondContact O-N 3.1Å; D511-K514 IonicContact OD2-NZ 2.73Å; D511-K514 PolarHBondContact OD2-NZ 3.48Å; D511-L515 PolarHBondContact O-N 2.89Å
512	D	83	Confident	80.5	Confident	84 Å²	84	79.1 Å²	79.1	45%	0.449	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-53.7	-26.7	179.7	-70.2	-57.5	0	0	0	112.9	H225 K514 L515	H225-D512 IonicContact CE1-OD1 2.81Å; D512-K514 VanDerWaalsContact C-N 3.27Å; D512-K514 PolarHBondContact O-N 3.29Å; D512-L515 PolarHBondContact O-N 2.77Å
513	N	82.5	Confident	80	Confident	156 Å²	156	77.4 Å²	77.4	83%	0.834	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-72	-21.4	178.5	-47.9	-87.3	0	0	0	112.8	D511	D511-N513 PolarHBondContact O-N 2.87Å; D511-N513 WeakPolarHBondContact OD1-CB 3.09Å; D511-N513 PolarHBondContact OD1-N 2.83Å; D511-N513 PolarHBondContact OD1-ND2 3.34Å
514	K	85.6	Confident	79.6	Confident	103 Å²	103	84 Å²	84	45%	0.448	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-91.1	-10.7	172.2	-63.8	-167.9	-172.6	80.6	0	112.7	Q488 V500 D511 D512 W516	Q488-K514 PolarHBondContact NE2-O 3.29Å; V500-K514 HydrophobicContact CB-CB 4.49Å; V500-K514 HydrophobicContact CG1-CB 4.01Å; D511-K514 HydrophobicContact CB-CB 4.45Å; D511-K514 HydrophobicContact CB-CD 4.46Å; D511-K514 HydrophobicContact CB-CG 4.21Å; D511-K514 PolarHBondContact O-N 3.1Å; D511-K514 IonicContact OD2-NZ 2.73Å; D511-K514 PolarHBondContact OD2-NZ 3.48Å; D512-K514 VanDerWaalsContact C-N 3.27Å; D512-K514 PolarHBondContact O-N 3.29Å; K514-W516 PolarHBondContact O-N 3.02Å
515	L	85.2	Confident	79.8	Confident	22 Å²	22	81.6 Å²	81.6	12%	0.115	42%	0.424	C	S	.	.			trans	-85.3	109.6	-167.6	-173.6	55.6	0	0	0	111.3	I341 N486 V500 I510 D511 D512 M517	I341-L515 HydrophobicContact CD1-CD1 4.06Å; I341-L515 HydrophobicContact CG1-CD1 4.2Å; N486-L515 HydrophobicContact CB-CD1 4.21Å; V500-L515 HydrophobicContact CG1-CD1 4.48Å; V500-L515 HydrophobicContact CG2-CD1 4.17Å; I510-L515 HydrophobicContact CG2-CD2 4.15Å; D511-L515 PolarHBondContact O-N 2.89Å; D512-L515 PolarHBondContact O-N 2.77Å; L515-M517 HydrophobicContact CD2-CE 3.55Å; L515-M517 HydrophobicContact CG-CE 4.1Å; L515-M517 HydrophobicContact CG-CG 4.43Å; L515-M517 PolarHBondContact O-N 3.03Å
516	W	80.4	Confident	80.3	Confident	115 Å²	115	76.3 Å²	76.3	44%	0.436	40%	0.401	S	S	.	.			trans	-80.6	99.9	176.8	-170	-113.3	0	0	0	110	E338 G339 N486 Q488 K514	E338-W516 PolarHBondContact OE1-NE1 3.27Å; G339-W516 WeakPolarHBondContact CA-O 3.46Å; N486-W516 WeakPolarHBondContact OD1-CB 3.37Å; N486-W516 PolarHBondContact OD1-N 3.49Å; Q488-W516 HydrophobicContact CB-CB 4.45Å; Q488-W516 HydrophobicContact CG-CB 3.78Å; K514-W516 PolarHBondContact O-N 3.02Å
517	M	71.3	Confident	80.6	Confident	24 Å²	24	74.7 Å²	74.7	12%	0.118	38%	0.383	C	S	.	.			trans	-103	131.9	159.1	-61.7	-165.1	-163	0	0	108.2	W227 L316 L515 M522 V523	W227-M517 HydrophobicContact CH2-CE 4.1Å; W227-M517 HydrophobicContact CZ2-CE 3.82Å; W227-M517 HydrophobicContact CZ2-SD 4.19Å; L316-M517 HydrophobicContact CD2-SD 4.19Å; L515-M517 HydrophobicContact CD2-CE 3.55Å; L515-M517 HydrophobicContact CG-CE 4.1Å; L515-M517 HydrophobicContact CG-CG 4.43Å; L515-M517 PolarHBondContact O-N 3.03Å; M517-M522 HydrophobicContact CE-CG 4.29Å; M517-M522 HydrophobicContact SD-CG 3.91Å; M517-V523 HydrophobicContact CB-CG2 4.27Å; M517-V523 HydrophobicContact SD-CB 4.14Å; M517-V523 HydrophobicContact SD-CG2 4.14Å
518	N	60.1	Low	80.5	Confident	63 Å²	63	69.5 Å²	69.5	34%	0.337	36%	0.358	S	S	.	.	S	Bend	trans	-68.7	135.1	-176.6	-165	-34.2	0	0	0	110.7
519	S	52.8	Low	80.3	Confident	71 Å²	71	72 Å²	72	50%	0.497	37%	0.372	S	S	.	.	S	Bend	trans	72.3	152	-165.9	78.5	0	0	0	0	115.7	E521	S519-E521 PolarHBondContact O-N 3.22Å
520	S	52.4	Low	80.1	Confident	134 Å²	134	71.9 Å²	71.9	94%	0.937	38%	0.377	S	S	*	.	S	Bend	trans	-68.3	6.4	-170.1	-40.3	0	0	0	0	116.3
521	E	60.6	Low	80	Confident	160 Å²	160	72.4 Å²	72.4	75%	0.748	38%	0.382	S	S	*	.	S	Bend	trans	-125.5	135.9	179.4	-64.9	-171.5	156.2	0	0	109.5	S519 V523	S519-E521 PolarHBondContact O-N 3.22Å; E521-V523 PolarHBondContact O-N 2.92Å
522	M	68.6	Low	79.9	Confident	102 Å²	102	73.6 Å²	73.6	50%	0.502	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-53.8	132.7	177.4	-176.4	178.9	-73.1	0	0	110.7	H225 M517 R524	H225-M522 HydrophobicContact CB-SD 3.95Å; M517-M522 HydrophobicContact CE-CG 4.29Å; M517-M522 HydrophobicContact SD-CG 3.91Å; M522-R524 PolarHBondContact O-N 3.38Å
523	V	84.4	Confident	79.9	Confident	5 Å²	5	78 Å²	78	3%	0.03	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-55.2	126.8	-179.6	172.6	0	0	0	0	109.4	W227 R288 V289 L316 M517 E521	W227-V523 PolarHBondContact NE1-O 3.41Å; R288-V523 HydrophobicContact CB-CG1 3.75Å; V289-V523 HydrophobicContact CG2-CG1 4.22Å; L316-V523 HydrophobicContact CB-CG1 4.17Å; L316-V523 HydrophobicContact CB-CG2 4.4Å; L316-V523 HydrophobicContact CD2-CB 4.01Å; L316-V523 HydrophobicContact CD2-CG1 4.24Å; L316-V523 HydrophobicContact CD2-CG2 4.07Å; M517-V523 HydrophobicContact CB-CG2 4.27Å; M517-V523 HydrophobicContact SD-CB 4.14Å; M517-V523 HydrophobicContact SD-CG2 4.14Å; E521-V523 PolarHBondContact O-N 2.92Å
524	R	87.1	Confident	79.9	Confident	146 Å²	146	70.9 Å²	70.9	55%	0.551	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-102.2	127.8	179.3	-167.9	173.4	179.4	172	0	110.2	M522 V526 D529	M522-R524 PolarHBondContact O-N 3.38Å; R524-V526 HydrophobicContact CG-CG2 4.21Å; R524-D529 IonicContact CZ-OD1 2.65Å; R524-D529 IonicContact NE-OD1 2.9Å; R524-D529 IonicContact NH2-OD1 2.68Å; R524-D529 PolarHBondContact NH2-OD1 2.93Å
525	S	93.2	Very high	80.1	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.365	C	S	.	.			trans	-136.4	84.3	-179.3	-150.8	0	0	0	0	110	T228 Y229 K286 A287 R288 V289	T228-S525 PolarHBondContact N-O 2.04Å; Y229-S525 PolarHBondContact N-O 3.41Å; Y229-S525 CarbonylContact O-C 3.57Å; Y229-S525 WeakPolarHBondContact O-CB 3.24Å; Y229-S525 PolarHBondContact O-OG 2.86Å; K286-S525 CarbonylContact O-C 3.56Å; K286-S525 WeakPolarHBondContact O-CA 3.05Å; A287-S525 WeakPolarHBondContact CA-OG 3.42Å; R288-S525 PolarHBondContact N-OG 3.03Å; V289-S525 PolarHBondContact N-OG 3.06Å; V289-S525 VanDerWaalsContact N-OG 3.1Å
526	V	92.6	Very high	80.3	Confident	29 Å²	29	68.5 Å²	68.5	18%	0.176	36%	0.364	C	S	.	.			trans	-145.5	136.3	-168.7	177.8	0	0	0	0	108.5	K286 R524 S528	K286-V526 PolarHBondContact O-N 2.85Å; R524-V526 HydrophobicContact CG-CG2 4.21Å; V526-S528 VanDerWaalsContact CG1-O 3.23Å; V526-S528 WeakPolarHBondContact CG1-O 3.38Å
527	C	92.1	Very high	80.8	Confident	8 Å²	8	64.5 Å²	64.5	5%	0.054	35%	0.349	C	S	.	.	S	Bend	trans	-78.8	-39.2	-177.8	-169.6	0	0	0	0	113.3	Y229 K286 C546 C547	Y229-C527 HydrophobicContact CD1-CB 3.75Å; Y229-C527 HydrophobicContact CD2-CB 3.78Å; Y229-C527 HydrophobicContact CE1-CB 4.08Å; Y229-C527 HydrophobicContact CE2-CB 4.1Å; Y229-C527 HydrophobicContact CG-CB 3.59Å; K286-C527 WeakPolarHBondContact CD-O 3.43Å; K286-C527 VanDerWaalsContact CE-O 3.24Å; K286-C527 WeakPolarHBondContact CE-O 3.45Å; K286-C527 PolarHBondContact NZ-O 3.03Å; C527-C546 WeakPolarHBondContact CB-O 3.3Å; C527-C547 HydrophobicContact CB-CB 4.05Å; C527-C547 WeakPolarHBondContact CB-SG 3.27Å; C527-C547 WeakPolarHBondContact SG-CB 3.44Å; C527-C547 CovalentContact SG-SG 2.04Å; C527-C547 PolarHBondContact SG-SG 3.32Å
528	S	90.4	Very high	81.7	Confident	18 Å²	18	65.9 Å²	65.9	13%	0.126	36%	0.359	C	S	.	.	S	Bend	trans	-143.4	139.7	-175.8	-68.5	0	0	0	0	110.6	V526 W548	V526-S528 VanDerWaalsContact CG1-O 3.23Å; V526-S528 WeakPolarHBondContact CG1-O 3.38Å; S528-W548 WeakPolarHBondContact CB-O 3.36Å; S528-W548 VanDerWaalsContact O-CZ2 3.29Å; S528-W548 WeakPolarHBondContact O-CZ2 3.37Å; S528-W548 PolarHBondContact OG-N 2.91Å; S528-W548 PolarHBondContact OG-O 2.92Å
529	D	88.4	Confident	82.9	Confident	93 Å²	93	66 Å²	66	50%	0.497	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-73.7	154	-177.3	-65.8	-38.3	0	0	0	112.5	R524 C531 W548	R524-D529 IonicContact CZ-OD1 2.65Å; R524-D529 IonicContact NE-OD1 2.9Å; R524-D529 IonicContact NH2-OD1 2.68Å; R524-D529 PolarHBondContact NH2-OD1 2.93Å; D529-C531 PolarHBondContact O-N 3.25Å; D529-W548 PolarHBondContact O-NE1 3.23Å
530	P	89.3	Confident	84.3	Confident	101 Å²	101	69.2 Å²	69.2	66%	0.656	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-54.1	129.7	169.9	-24.5	34.6	0	0	0	111.1
531	C	90.3	Very high	85.4	Confident	33 Å²	33	73.3 Å²	73.3	22%	0.223	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-68.3	147.8	-175.8	-61.1	0	0	0	0	112.4	D529 Q535 C550	D529-C531 PolarHBondContact O-N 3.25Å; C531-Q535 HydrophobicContact CB-CB 3.98Å; C531-C550 WeakPolarHBondContact CA-SG 3.46Å; C531-C550 HydrophobicContact CB-CB 3.69Å; C531-C550 WeakPolarHBondContact CB-SG 3.48Å; C531-C550 VanDerWaalsContact SG-CA 3.51Å; C531-C550 WeakPolarHBondContact SG-CB 3.22Å; C531-C550 CovalentContact SG-SG 2.04Å; C531-C550 PolarHBondContact SG-SG 3.49Å
532	S	88.3	Confident	85.9	Confident	78 Å²	78	69.9 Å²	69.9	55%	0.545	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-73.3	164.6	177.9	-67.9	0	0	0	0	111.9	G534 Q535	S532-G534 PolarHBondContact O-N 3.37Å; S532-Q535 VanDerWaalsContact O-CB 3.3Å; S532-Q535 WeakPolarHBondContact O-CB 3.28Å; S532-Q535 PolarHBondContact O-N 3.31Å
533	K	82.3	Confident	86.2	Confident	176 Å²	176	69 Å²	69	77%	0.765	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	136.4	175.1	-60.2	-177.3	-177.8	-178.9	0	110.6	Q535	K533-Q535 VanDerWaalsContact C-N 3.29Å; K533-Q535 PolarHBondContact O-N 3.22Å
534	G	82.6	Confident	86.2	Confident	8 Å²	8	71.6 Å²	71.6	8%	0.082	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	4.9	-174.8	0	0	0	0	0	115.7	S532 T552 C553	S532-G534 PolarHBondContact O-N 3.37Å; G534-T552 WeakPolarHBondContact O-CA 3.08Å; G534-C553 PolarHBondContact O-N 2.9Å
535	Q	89.5	Confident	86	Confident	57 Å²	57	68.1 Å²	68.1	27%	0.266	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	142.9	175.1	-61.2	173.9	-15.7	0	0	111.7	C531 S532 K533 C550 T551 T552	C531-Q535 HydrophobicContact CB-CB 3.98Å; S532-Q535 VanDerWaalsContact O-CB 3.3Å; S532-Q535 WeakPolarHBondContact O-CB 3.28Å; S532-Q535 PolarHBondContact O-N 3.31Å; K533-Q535 VanDerWaalsContact C-N 3.29Å; K533-Q535 PolarHBondContact O-N 3.22Å; Q535-C550 HydrophobicContact CB-CB 4.23Å; Q535-T551 CarbonylContact C-O 3.59Å; Q535-T551 VanDerWaalsContact CA-O 3.25Å; Q535-T551 WeakPolarHBondContact CA-O 3.28Å; Q535-T552 HydrophobicContact CG-CG2 3.76Å
536	I	90.1	Very high	85.8	Confident	18 Å²	18	68.4 Å²	68.4	9%	0.092	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	150.8	172.6	52.7	161.7	0	0	0	111.3	V538 C550 T551 V559 E562 F563	I536-V538 HydrophobicContact CD1-CG2 4.12Å; I536-V538 HydrophobicContact CG1-CG2 4.28Å; I536-C550 WeakPolarHBondContact O-CA 3.43Å; I536-T551 WeakPolarHBondContact CG1-O 3.25Å; I536-T551 PolarHBondContact N-O 2.99Å; I536-T551 PolarHBondContact O-N 2.78Å; I536-V559 HydrophobicContact CG2-CG1 4.17Å; I536-E562 CarbonylContact C-O 3.55Å; I536-E562 WeakPolarHBondContact CA-O 3.33Å; I536-F563 VanDerWaalsContact CD1-O 3.31Å; I536-F563 WeakPolarHBondContact CD1-O 3.44Å
537	K	90.8	Very high	85.7	Confident	31 Å²	31	67.6 Å²	67.6	14%	0.135	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	127.2	169.6	-61.1	177.4	-172.8	171.3	0	109.2	W548 E562 F563	K537-W548 HydrophobicContact CB-CB 3.86Å; K537-W548 HydrophobicContact CB-CD2 4.41Å; K537-W548 HydrophobicContact CB-CG 3.89Å; K537-W548 HydrophobicContact CD-CD2 3.88Å; K537-W548 HydrophobicContact CD-CE3 4.06Å; K537-W548 HydrophobicContact CD-CG 4.24Å; K537-W548 HydrophobicContact CD-CZ3 4.47Å; K537-W548 HydrophobicContact CG-CB 4.37Å; K537-W548 HydrophobicContact CG-CD2 4Å; K537-W548 HydrophobicContact CG-CG 3.84Å; K537-E562 WeakPolarHBondContact CB-O 3.5Å; K537-E562 HydrophobicContact CD-CB 4.24Å; K537-E562 VanDerWaalsContact CE-OE1 3.31Å; K537-E562 WeakPolarHBondContact CE-OE1 3.15Å; K537-E562 PolarHBondContact N-O 2.84Å; K537-E562 IonicContact NZ-OE1 2.65Å; K537-E562 PolarHBondContact NZ-OE1 3.08Å; K537-E562 IonicContact NZ-OE2 2.92Å; K537-E562 PolarHBondContact NZ-OE2 3.24Å; K537-F563 HydrophobicContact CB-CD1 3.92Å; K537-F563 HydrophobicContact CB-CE1 3.79Å; K537-F563 HydrophobicContact CD-CE1 4.3Å; K537-F563 HydrophobicContact CD-CZ 4.26Å; K537-F563 VanDerWaalsContact O-CD1 3.3Å; K537-F563 WeakPolarHBondContact O-CD1 3.4Å
538	V	89.2	Confident	85.7	Confident	53 Å²	53	69.2 Å²	69.2	32%	0.321	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	114.9	172.9	-178.6	0	0	0	0	109	I536 W548 I549 T551	I536-V538 HydrophobicContact CD1-CG2 4.12Å; I536-V538 HydrophobicContact CG1-CG2 4.28Å; V538-W548 CarbonylContact O-C 3.52Å; V538-W548 WeakPolarHBondContact O-CA 3.46Å; V538-I549 HydrophobicContact CB-CG1 4.01Å; V538-I549 PolarHBondContact N-O 2.65Å; V538-I549 WeakPolarHBondContact O-CG1 3.37Å; V538-I549 PolarHBondContact O-N 3.48Å; V538-T551 WeakPolarHBondContact CG2-OG1 3.22Å
539	I	86.8	Confident	85.7	Confident	65 Å²	65	71.7 Å²	71.7	33%	0.333	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.7	177.5	-58.5	158	0	0	0	108.5	S545 W548 F563	I539-S545 WeakPolarHBondContact CD1-O 3.25Å; I539-W548 HydrophobicContact CG1-CB 4.14Å; I539-F563 HydrophobicContact CD1-CE1 3.88Å
540	R	82.1	Confident	85.9	Confident	138 Å²	138	69.5 Å²	69.5	52%	0.521	38%	0.382	S	S	.	.			trans	-82.8	146.7	178.3	-69.6	169.1	164.2	-176.3	0.5	111.2	G542 E543	R540-G542 PolarHBondContact O-N 3.01Å; R540-E543 HydrophobicContact CB-CB 4.32Å; R540-E543 HydrophobicContact CB-CG 4.12Å; R540-E543 VanDerWaalsContact CD-CD 3.47Å; R540-E543 WeakPolarHBondContact CD-OE1 3.39Å; R540-E543 WeakPolarHBondContact CD-OE2 3.48Å; R540-E543 IonicContact NH1-OE1 3.53Å; R540-E543 PolarHBondContact NH1-OE1 3.04Å; R540-E543 PolarHBondContact O-N 3.49Å
541	K	74.1	Confident	86	Confident	221 Å²	221	67.5 Å²	67.5	96%	0.961	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	111.5	176.1	-66.9	-173.5	177.7	-175.5	0	110.2
542	G	71.1	Confident	86	Confident	87 Å²	87	70.6 Å²	70.6	90%	0.897	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.7	-6.2	-177.9	0	0	0	0	0	114.9	R540	R540-G542 PolarHBondContact O-N 3.01Å
543	E	76.4	Confident	86.1	Confident	83 Å²	83	67.7 Å²	67.7	39%	0.388	37%	0.365	S	S	.	.	S	Bend	trans	-93.1	156	167.2	-68.2	172.5	-166.1	0	0	109.7	R540 C547	R540-E543 HydrophobicContact CB-CB 4.32Å; R540-E543 HydrophobicContact CB-CG 4.12Å; R540-E543 VanDerWaalsContact CD-CD 3.47Å; R540-E543 WeakPolarHBondContact CD-OE1 3.39Å; R540-E543 WeakPolarHBondContact CD-OE2 3.48Å; R540-E543 IonicContact NH1-OE1 3.53Å; R540-E543 PolarHBondContact NH1-OE1 3.04Å; R540-E543 PolarHBondContact O-N 3.49Å; E543-C547 HydrophobicContact CB-CB 4.46Å
544	V	83.9	Confident	86.4	Confident	60 Å²	60	65.1 Å²	65.1	36%	0.364	35%	0.354	S	S	.	.			trans	-76.8	157.3	-179.9	-61.4	0	0	0	0	111.8	Y229 C257 C546 C547	Y229-V544 HydrophobicContact CD2-CG2 4.45Å; Y229-V544 HydrophobicContact CE2-CG2 3.9Å; C257-V544 HydrophobicContact CB-CG2 4.07Å; V544-C546 VanDerWaalsContact C-N 3.27Å; V544-C546 PolarHBondContact O-N 3Å; V544-C546 VanDerWaalsContact O-N 3.15Å; V544-C547 HydrophobicContact CG2-CB 4.14Å; V544-C547 WeakPolarHBondContact CG2-SG 3.31Å; V544-C547 WeakPolarHBondContact O-CB 3.38Å; V544-C547 PolarHBondContact O-N 2.85Å
545	S	83.5	Confident	86.5	Confident	73 Å²	73	69.6 Å²	69.6	51%	0.51	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-35.7	-174.2	44.2	0	0	0	0	114.9	C257 I539 C547	C257-S545 PolarHBondContact SG-OG 3.37Å; I539-S545 WeakPolarHBondContact CD1-O 3.25Å; S545-C547 VanDerWaalsContact C-N 3.25Å; S545-C547 PolarHBondContact O-N 3.34Å
546	C	88.6	Confident	86.4	Confident	7 Å²	7	69.3 Å²	69.3	5%	0.047	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-6.2	179	-41.8	0	0	0	0	113.9	G255 C257 C527 V544	G255-C546 PolarHBondContact O-SG 2.66Å; C257-C546 HydrophobicContact CB-CB 3.68Å; C257-C546 WeakPolarHBondContact CB-SG 3.44Å; C257-C546 PolarHBondContact N-SG 3.15Å; C257-C546 WeakPolarHBondContact SG-CB 3.4Å; C257-C546 PolarHBondContact SG-N 3.16Å; C257-C546 CovalentContact SG-SG 2.04Å; C257-C546 PolarHBondContact SG-SG 3.04Å; C527-C546 WeakPolarHBondContact CB-O 3.3Å; V544-C546 VanDerWaalsContact C-N 3.27Å; V544-C546 PolarHBondContact O-N 3Å; V544-C546 VanDerWaalsContact O-N 3.15Å
547	C	90.8	Very high	86.5	Confident	12 Å²	12	69.7 Å²	69.7	8%	0.081	38%	0.378	C	S	.	.			trans	-103.5	81.5	176	-63.1	0	0	0	0	109.7	C527 E543 V544 S545	C527-C547 HydrophobicContact CB-CB 4.05Å; C527-C547 WeakPolarHBondContact CB-SG 3.27Å; C527-C547 WeakPolarHBondContact SG-CB 3.44Å; C527-C547 CovalentContact SG-SG 2.04Å; C527-C547 PolarHBondContact SG-SG 3.32Å; E543-C547 HydrophobicContact CB-CB 4.46Å; V544-C547 HydrophobicContact CG2-CB 4.14Å; V544-C547 WeakPolarHBondContact CG2-SG 3.31Å; V544-C547 WeakPolarHBondContact O-CB 3.38Å; V544-C547 PolarHBondContact O-N 2.85Å; S545-C547 VanDerWaalsContact C-N 3.25Å; S545-C547 PolarHBondContact O-N 3.34Å
548	W	90.9	Very high	86.5	Confident	41 Å²	41	69.9 Å²	69.9	16%	0.155	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	157.8	171.9	56.4	77.3	0	0	0	111.9	S528 D529 K537 V538 I539	S528-W548 WeakPolarHBondContact CB-O 3.36Å; S528-W548 VanDerWaalsContact O-CZ2 3.29Å; S528-W548 WeakPolarHBondContact O-CZ2 3.37Å; S528-W548 PolarHBondContact OG-N 2.91Å; S528-W548 PolarHBondContact OG-O 2.92Å; D529-W548 PolarHBondContact O-NE1 3.23Å; K537-W548 HydrophobicContact CB-CB 3.86Å; K537-W548 HydrophobicContact CB-CD2 4.41Å; K537-W548 HydrophobicContact CB-CG 3.89Å; K537-W548 HydrophobicContact CD-CD2 3.88Å; K537-W548 HydrophobicContact CD-CE3 4.06Å; K537-W548 HydrophobicContact CD-CG 4.24Å; K537-W548 HydrophobicContact CD-CZ3 4.47Å; K537-W548 HydrophobicContact CG-CB 4.37Å; K537-W548 HydrophobicContact CG-CD2 4Å; K537-W548 HydrophobicContact CG-CG 3.84Å; V538-W548 CarbonylContact O-C 3.52Å; V538-W548 WeakPolarHBondContact O-CA 3.46Å; I539-W548 HydrophobicContact CG1-CB 4.14Å
549	I	91.4	Very high	86.6	Confident	70 Å²	70	69.2 Å²	69.2	36%	0.359	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	138.1	160.5	63.7	176	0	0	0	109.4	V538	V538-I549 HydrophobicContact CB-CG1 4.01Å; V538-I549 PolarHBondContact N-O 2.65Å; V538-I549 WeakPolarHBondContact O-CG1 3.37Å; V538-I549 PolarHBondContact O-N 3.48Å
550	C	92.3	Very high	86.6	Confident	48 Å²	48	71.3 Å²	71.3	32%	0.324	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	119.9	178.7	-60.4	0	0	0	0	110.2	C531 Q535 I536	C531-C550 WeakPolarHBondContact CA-SG 3.46Å; C531-C550 HydrophobicContact CB-CB 3.69Å; C531-C550 WeakPolarHBondContact CB-SG 3.48Å; C531-C550 VanDerWaalsContact SG-CA 3.51Å; C531-C550 WeakPolarHBondContact SG-CB 3.22Å; C531-C550 CovalentContact SG-SG 2.04Å; C531-C550 PolarHBondContact SG-SG 3.49Å; Q535-C550 HydrophobicContact CB-CB 4.23Å; I536-C550 WeakPolarHBondContact O-CA 3.43Å
551	T	91.4	Very high	86.8	Confident	58 Å²	58	68 Å²	68	36%	0.356	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.9	-175.9	-53.4	0	0	0	0	110	Q535 I536 V538	Q535-T551 CarbonylContact C-O 3.59Å; Q535-T551 VanDerWaalsContact CA-O 3.25Å; Q535-T551 WeakPolarHBondContact CA-O 3.28Å; I536-T551 WeakPolarHBondContact CG1-O 3.25Å; I536-T551 PolarHBondContact N-O 2.99Å; I536-T551 PolarHBondContact O-N 2.78Å; V538-T551 WeakPolarHBondContact CG2-OG1 3.22Å
552	T	90.4	Very high	87.4	Confident	99 Å²	99	62.7 Å²	62.7	61%	0.607	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	136.8	178.2	48.4	0	0	0	0	112.2	G534 Q535	G534-T552 WeakPolarHBondContact O-CA 3.08Å; Q535-T552 HydrophobicContact CG-CG2 3.76Å
553	C	89.7	Confident	88.2	Confident	16 Å²	16	63.5 Å²	63.5	11%	0.108	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-64.7	161.6	164.1	-59.3	0	0	0	0	111.4	G534 E557 C565	G534-C553 PolarHBondContact O-N 2.9Å; C553-E557 HydrophobicContact CB-CB 4.15Å; C553-C565 WeakPolarHBondContact CA-SG 3.48Å; C553-C565 HydrophobicContact CB-CB 3.74Å; C553-C565 WeakPolarHBondContact CB-SG 3.46Å; C553-C565 WeakPolarHBondContact SG-CB 3.31Å; C553-C565 CovalentContact SG-SG 2.04Å; C553-C565 PolarHBondContact SG-SG 2.89Å
554	K	87.8	Confident	88.9	Confident	123 Å²	123	62.5 Å²	62.5	54%	0.535	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-77.8	158.4	173.6	-57.4	174.7	-151	71.3	0	110.9	N556 E557	K554-N556 PolarHBondContact O-N 2.86Å; K554-E557 HydrophobicContact CB-CB 4.5Å; K554-E557 HydrophobicContact CB-CG 4.12Å; K554-E557 WeakPolarHBondContact CB-OE2 3.49Å; K554-E557 VanDerWaalsContact CG-OE2 3.31Å; K554-E557 WeakPolarHBondContact CG-OE2 3.5Å; K554-E557 PolarHBondContact N-OE2 2.79Å; K554-E557 IonicContact NZ-OE1 3.01Å; K554-E557 PolarHBondContact NZ-OE1 3.06Å; K554-E557 IonicContact NZ-OE2 2.64Å; K554-E557 PolarHBondContact NZ-OE2 2.92Å; K554-E557 WeakPolarHBondContact O-CB 3.26Å; K554-E557 PolarHBondContact O-N 2.98Å
555	D	85.7	Confident	89.3	Confident	102 Å²	102	61.1 Å²	61.1	55%	0.545	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.6	-32.1	175.4	-69.2	39.7	0	0	0	116.3	W573 P574 R743	D555-W573 HydrophobicContact CB-CH2 3.83Å; D555-W573 HydrophobicContact CB-CZ2 3.95Å; D555-W573 WeakPolarHBondContact O-CH2 3.28Å; D555-W573 WeakPolarHBondContact O-CZ2 3.48Å; D555-P574 WeakPolarHBondContact O-CG 3.46Å; D555-R743 IonicContact OD2-CZ 2.68Å; D555-R743 IonicContact OD2-NH2 2.7Å; D555-R743 PolarHBondContact OD2-NH2 3.48Å
556	N	88.3	Confident	89.7	Confident	50 Å²	50	62.2 Å²	62.2	27%	0.267	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	8.6	-176.7	72.5	-84	0	0	0	113.3	K554 A567 C568 W573 I742	K554-N556 PolarHBondContact O-N 2.86Å; N556-A567 WeakPolarHBondContact O-CA 3.43Å; N556-C568 PolarHBondContact O-N 2.91Å; N556-W573 HydrophobicContact CB-CH2 4.43Å; N556-W573 HydrophobicContact CB-CZ3 4.2Å; N556-I742 HydrophobicContact CB-CD1 4.42Å
557	E	90.4	Very high	89.8	Confident	26 Å²	26	64.1 Å²	64.1	12%	0.121	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	143	-174.3	-61	173.6	163.6	0	0	110.7	C553 K554 C565 K566 A567	C553-E557 HydrophobicContact CB-CB 4.15Å; K554-E557 HydrophobicContact CB-CB 4.5Å; K554-E557 HydrophobicContact CB-CG 4.12Å; K554-E557 WeakPolarHBondContact CB-OE2 3.49Å; K554-E557 VanDerWaalsContact CG-OE2 3.31Å; K554-E557 WeakPolarHBondContact CG-OE2 3.5Å; K554-E557 PolarHBondContact N-OE2 2.79Å; K554-E557 IonicContact NZ-OE1 3.01Å; K554-E557 PolarHBondContact NZ-OE1 3.06Å; K554-E557 IonicContact NZ-OE2 2.64Å; K554-E557 PolarHBondContact NZ-OE2 2.92Å; K554-E557 WeakPolarHBondContact O-CB 3.26Å; K554-E557 PolarHBondContact O-N 2.98Å; E557-C565 HydrophobicContact CB-CB 4.19Å; E557-K566 CarbonylContact C-O 3.53Å; E557-K566 WeakPolarHBondContact CA-O 3.47Å; E557-A567 HydrophobicContact CG-CB 4.1Å
558	Y	90.8	Very high	89.8	Confident	36 Å²	36	64.7 Å²	64.7	14%	0.141	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	158.8	174.2	76.8	-84.2	0	0	0	110	Q560 C565 K566 A579 C581	Y558-Q560 HydrophobicContact CE2-CB 4.27Å; Y558-Q560 PolarHBondContact O-N 3.34Å; Y558-C565 CarbonylContact O-C 3.55Å; Y558-C565 WeakPolarHBondContact O-CA 3.43Å; Y558-K566 HydrophobicContact CD1-CB 4.48Å; Y558-K566 WeakPolarHBondContact CD1-O 3.15Å; Y558-K566 HydrophobicContact CE1-CB 4.02Å; Y558-K566 HydrophobicContact CE1-CD 4.1Å; Y558-K566 HydrophobicContact CE1-CG 3.96Å; Y558-K566 PolarHBondContact N-O 3.34Å; Y558-K566 PolarHBondContact O-N 3.32Å; Y558-K566 PolarHBondContact OH-NZ 2.83Å; Y558-A579 WeakPolarHBondContact CD2-O 3.23Å; Y558-C581 VanDerWaalsContact CD1-SG 3.58Å
559	V	91.5	Very high	89.7	Confident	38 Å²	38	69.8 Å²	69.8	23%	0.23	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	114.3	176.4	-178.2	0	0	0	0	108.4	I536 D561 L578	I536-V559 HydrophobicContact CG2-CG1 4.17Å; V559-D561 VanDerWaalsContact CG1-O 3.23Å; V559-D561 WeakPolarHBondContact CG1-O 3.48Å; V559-L578 PolarHBondContact N-O 3.07Å
560	Q	88	Confident	89.6	Confident	109 Å²	109	72.3 Å²	72.3	51%	0.509	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-41.3	176.7	179	179	-35	0	0	111.8	Y558 T564 K566	Y558-Q560 HydrophobicContact CE2-CB 4.27Å; Y558-Q560 PolarHBondContact O-N 3.34Å; Q560-T564 PolarHBondContact N-O 3.29Å; Q560-K566 HydrophobicContact CB-CB 4.23Å
561	D	85.9	Confident	89.2	Confident	68 Å²	68	70.6 Å²	70.6	36%	0.364	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	176.9	174	60.9	50.3	0	0	0	108.9	V559 F563 T564	V559-D561 VanDerWaalsContact CG1-O 3.23Å; V559-D561 WeakPolarHBondContact CG1-O 3.48Å; D561-F563 PolarHBondContact O-N 2.7Å; D561-F563 WeakPolarHBondContact OD1-CA 3.12Å; D561-F563 PolarHBondContact OD1-N 3.11Å; D561-T564 PolarHBondContact O-N 3Å; D561-T564 WeakPolarHBondContact OD1-CB 3.43Å; D561-T564 PolarHBondContact OD1-N 2.87Å; D561-T564 PolarHBondContact OD1-OG1 2.97Å; D561-T564 PolarHBondContact OD2-OG1 2.92Å
562	E	86.3	Confident	89.2	Confident	110 Å²	110	73.1 Å²	73.1	51%	0.514	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-14.4	-176.8	-63.4	-161.8	122.8	0	0	114.7	I536 K537	I536-E562 CarbonylContact C-O 3.55Å; I536-E562 WeakPolarHBondContact CA-O 3.33Å; K537-E562 WeakPolarHBondContact CB-O 3.5Å; K537-E562 HydrophobicContact CD-CB 4.24Å; K537-E562 VanDerWaalsContact CE-OE1 3.31Å; K537-E562 WeakPolarHBondContact CE-OE1 3.15Å; K537-E562 PolarHBondContact N-O 2.84Å; K537-E562 IonicContact NZ-OE1 2.65Å; K537-E562 PolarHBondContact NZ-OE1 3.08Å; K537-E562 IonicContact NZ-OE2 2.92Å; K537-E562 PolarHBondContact NZ-OE2 3.24Å
563	F	88.6	Confident	89.2	Confident	105 Å²	105	71 Å²	71	46%	0.461	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-8.9	-173	-58.8	-85.2	0	0	0	113.4	I536 K537 I539 D561	I536-F563 VanDerWaalsContact CD1-O 3.31Å; I536-F563 WeakPolarHBondContact CD1-O 3.44Å; K537-F563 HydrophobicContact CB-CD1 3.92Å; K537-F563 HydrophobicContact CB-CE1 3.79Å; K537-F563 HydrophobicContact CD-CE1 4.3Å; K537-F563 HydrophobicContact CD-CZ 4.26Å; K537-F563 VanDerWaalsContact O-CD1 3.3Å; K537-F563 WeakPolarHBondContact O-CD1 3.4Å; I539-F563 HydrophobicContact CD1-CE1 3.88Å; D561-F563 PolarHBondContact O-N 2.7Å; D561-F563 WeakPolarHBondContact OD1-CA 3.12Å; D561-F563 PolarHBondContact OD1-N 3.11Å
564	T	90.3	Very high	89.3	Confident	62 Å²	62	70.7 Å²	70.7	38%	0.38	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	117.3	-166.2	-43	0	0	0	0	113.5	Q560 D561	Q560-T564 PolarHBondContact N-O 3.29Å; D561-T564 PolarHBondContact O-N 3Å; D561-T564 WeakPolarHBondContact OD1-CB 3.43Å; D561-T564 PolarHBondContact OD1-N 2.87Å; D561-T564 PolarHBondContact OD1-OG1 2.97Å; D561-T564 PolarHBondContact OD2-OG1 2.92Å
565	C	92	Very high	89.3	Confident	30 Å²	30	66.1 Å²	66.1	20%	0.203	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	138.9	164.4	-56.6	0	0	0	0	110.5	C553 E557 Y558	C553-C565 WeakPolarHBondContact CA-SG 3.48Å; C553-C565 HydrophobicContact CB-CB 3.74Å; C553-C565 WeakPolarHBondContact CB-SG 3.46Å; C553-C565 WeakPolarHBondContact SG-CB 3.31Å; C553-C565 CovalentContact SG-SG 2.04Å; C553-C565 PolarHBondContact SG-SG 2.89Å; E557-C565 HydrophobicContact CB-CB 4.19Å; Y558-C565 CarbonylContact O-C 3.55Å; Y558-C565 WeakPolarHBondContact O-CA 3.43Å
566	K	91.6	Very high	89.2	Confident	97 Å²	97	70 Å²	70	42%	0.422	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135	177	174.9	175	161.8	-156.5	0	111.9	E557 Y558 Q560	E557-K566 CarbonylContact C-O 3.53Å; E557-K566 WeakPolarHBondContact CA-O 3.47Å; Y558-K566 HydrophobicContact CD1-CB 4.48Å; Y558-K566 WeakPolarHBondContact CD1-O 3.15Å; Y558-K566 HydrophobicContact CE1-CB 4.02Å; Y558-K566 HydrophobicContact CE1-CD 4.1Å; Y558-K566 HydrophobicContact CE1-CG 3.96Å; Y558-K566 PolarHBondContact N-O 3.34Å; Y558-K566 PolarHBondContact O-N 3.32Å; Y558-K566 PolarHBondContact OH-NZ 2.83Å; Q560-K566 HydrophobicContact CB-CB 4.23Å
567	A	91	Very high	88.9	Confident	47 Å²	47	75 Å²	75	39%	0.388	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	142	177.4	0	0	0	0	0	113.2	N556 E557	N556-A567 WeakPolarHBondContact O-CA 3.43Å; E557-A567 HydrophobicContact CG-CB 4.1Å
568	C	90.9	Very high	88.6	Confident	23 Å²	23	76.2 Å²	76.2	16%	0.155	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-73.1	155.7	167.6	-68.6	0	0	0	0	112.2	N556 W572 C581	N556-C568 PolarHBondContact O-N 2.91Å; C568-W572 HydrophobicContact CB-CB 4.3Å; C568-C581 WeakPolarHBondContact CA-SG 3.45Å; C568-C581 HydrophobicContact CB-CB 3.89Å; C568-C581 WeakPolarHBondContact CB-SG 3.47Å; C568-C581 WeakPolarHBondContact SG-CB 3.08Å; C568-C581 CovalentContact SG-SG 2.04Å; C568-C581 PolarHBondContact SG-SG 2.9Å
569	E	90.3	Very high	88.3	Confident	148 Å²	148	77.7 Å²	77.7	69%	0.692	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-73.7	159.8	177.4	-64.7	-173.3	175.9	0	0	112.8	G571 W572	E569-G571 PolarHBondContact O-N 3.47Å; E569-W572 WeakPolarHBondContact O-CB 3.35Å; E569-W572 PolarHBondContact O-N 2.9Å
570	L	87.5	Confident	88.1	Confident	124 Å²	124	77 Å²	77	65%	0.649	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	125.2	178.9	-69.1	174.8	0	0	0	111.7
571	G	85.9	Confident	88.3	Confident	11 Å²	11	73.8 Å²	73.8	11%	0.113	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	3.1	-173.5	0	0	0	0	0	114.6	E569 L584	E569-G571 PolarHBondContact O-N 3.47Å; G571-L584 WeakPolarHBondContact O-CB 3.4Å; G571-L584 PolarHBondContact O-N 3.03Å
572	W	89.9	Confident	88.6	Confident	112 Å²	112	76.2 Å²	76.2	42%	0.424	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	157.2	169.2	-56.8	77.7	0	0	0	110.2	C568 E569 C581 Q582 P583	C568-W572 HydrophobicContact CB-CB 4.3Å; E569-W572 WeakPolarHBondContact O-CB 3.35Å; E569-W572 PolarHBondContact O-N 2.9Å; W572-C581 HydrophobicContact CB-CB 4.06Å; W572-C581 HydrophobicContact CE3-CB 4.36Å; W572-Q582 CarbonylContact C-O 3.57Å; W572-Q582 VanDerWaalsContact CA-O 3.25Å; W572-Q582 WeakPolarHBondContact CA-O 3.45Å; W572-Q582 VanDerWaalsContact CE3-C 3.44Å; W572-P583 HydrophobicContact CD2-CB 4.32Å; W572-P583 HydrophobicContact CE3-CB 4.05Å; W572-P583 HydrophobicContact CE3-CG 4.5Å; W572-P583 HydrophobicContact CH2-CB 4.39Å; W572-P583 HydrophobicContact CZ3-CB 4.09Å; W572-P583 HydrophobicContact CZ3-CG 4.2Å
573	W	91.1	Very high	88.8	Confident	55 Å²	55	75.3 Å²	75.3	21%	0.208	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	147.1	-179.4	-169.2	-98.9	0	0	0	109.7	D555 N556 C581 Q582 L584 I742 R743	D555-W573 HydrophobicContact CB-CH2 3.83Å; D555-W573 HydrophobicContact CB-CZ2 3.95Å; D555-W573 WeakPolarHBondContact O-CH2 3.28Å; D555-W573 WeakPolarHBondContact O-CZ2 3.48Å; N556-W573 HydrophobicContact CB-CH2 4.43Å; N556-W573 HydrophobicContact CB-CZ3 4.2Å; W573-C581 CarbonylContact O-C 3.53Å; W573-C581 WeakPolarHBondContact O-CA 3.43Å; W573-Q582 PolarHBondContact N-O 2.85Å; W573-Q582 PolarHBondContact O-N 2.88Å; W573-L584 HydrophobicContact CB-CD1 4.46Å; W573-L584 HydrophobicContact CB-CD2 3.82Å; W573-L584 HydrophobicContact CB-CG 3.98Å; W573-L584 HydrophobicContact CG-CD2 4.37Å; W573-I742 HydrophobicContact CZ3-CD1 4.1Å; W573-I742 HydrophobicContact CZ3-CG1 4.2Å; W573-R743 HydrophobicContact CD2-CG 4.45Å; W573-R743 HydrophobicContact CE3-CG 3.87Å; W573-R743 HydrophobicContact CH2-CG 3.75Å; W573-R743 HydrophobicContact CZ2-CG 4.3Å; W573-R743 VanDerWaalsContact CZ2-NE 3.34Å; W573-R743 HydrophobicContact CZ3-CG 3.49Å; W573-R743 VanDerWaalsContact CZ3-CG 3.49Å
574	P	91.6	Very high	88.8	Confident	9 Å²	9	71.8 Å²	71.8	6%	0.058	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	149.8	176	-27.2	36.7	0	0	0	113.3	D555 L578 G580	D555-P574 WeakPolarHBondContact O-CG 3.46Å; P574-L578 HydrophobicContact CB-CD2 3.54Å; P574-L578 HydrophobicContact CG-CD2 4.4Å; P574-G580 VanDerWaalsContact CA-O 3.31Å; P574-G580 WeakPolarHBondContact CA-O 3.37Å
575	D	88	Confident	88.7	Confident	26 Å²	26	73.7 Å²	73.7	14%	0.139	39%	0.392	C	S	.	.			trans	-77.9	168.3	172	77	-54.9	0	0	0	112.4	Y577 L578 A579 G580 Q582	D575-Y577 PolarHBondContact O-N 2.8Å; D575-Y577 VanDerWaalsContact O-N 3.12Å; D575-Y577 WeakPolarHBondContact OD2-CB 3.2Å; D575-Y577 PolarHBondContact OD2-N 3.35Å; D575-L578 PolarHBondContact O-N 3.49Å; D575-L578 PolarHBondContact OD1-N 3.47Å; D575-A579 PolarHBondContact OD1-N 3.16Å; D575-G580 PolarHBondContact N-O 3.16Å; D575-G580 PolarHBondContact OD1-N 3.11Å; D575-Q582 HydrophobicContact CB-CG 4.07Å
576	E	83.3	Confident	88.5	Confident	185 Å²	185	75.2 Å²	75.2	86%	0.864	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.2	-178.5	-62.8	-174.5	159.2	0	0	113.8
577	Y	81.4	Confident	88.2	Confident	154 Å²	154	75.1 Å²	75.1	60%	0.604	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-5	176.4	-58.9	-74.7	0	0	0	113.7	D575 A579	D575-Y577 PolarHBondContact O-N 2.8Å; D575-Y577 VanDerWaalsContact O-N 3.12Å; D575-Y577 WeakPolarHBondContact OD2-CB 3.2Å; D575-Y577 PolarHBondContact OD2-N 3.35Å; Y577-A579 PolarHBondContact O-N 2.89Å
578	L	84.8	Confident	88	Confident	51 Å²	51	76.5 Å²	76.5	27%	0.267	39%	0.393	S	S	.	.	S	Bend	trans	52.9	39	-174.3	-58.8	171.1	0	0	0	112.3	V559 P574 D575	V559-L578 PolarHBondContact N-O 3.07Å; P574-L578 HydrophobicContact CB-CD2 3.54Å; P574-L578 HydrophobicContact CG-CD2 4.4Å; D575-L578 PolarHBondContact O-N 3.49Å; D575-L578 PolarHBondContact OD1-N 3.47Å
579	A	84.7	Confident	87.6	Confident	68 Å²	68	77.4 Å²	77.4	56%	0.562	40%	0.396	S	S	*	.	S	Bend	trans	-108.4	-14.3	-179.5	0	0	0	0	0	113	Y558 D575 Y577	Y558-A579 WeakPolarHBondContact CD2-O 3.23Å; D575-A579 PolarHBondContact OD1-N 3.16Å; Y577-A579 PolarHBondContact O-N 2.89Å
580	G	87.4	Confident	87.3	Confident	22 Å²	22	73.2 Å²	73.2	23%	0.227	38%	0.378	C	S	.	.	S	Bend	trans	-166.2	-166.1	177	0	0	0	0	0	113.2	P574 D575	P574-G580 VanDerWaalsContact CA-O 3.31Å; P574-G580 WeakPolarHBondContact CA-O 3.37Å; D575-G580 PolarHBondContact N-O 3.16Å; D575-G580 PolarHBondContact OD1-N 3.11Å
581	C	91.8	Very high	87.2	Confident	42 Å²	42	72.6 Å²	72.6	28%	0.284	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	135.8	-177.3	-55.1	0	0	0	0	111.1	Y558 C568 W572 W573	Y558-C581 VanDerWaalsContact CD1-SG 3.58Å; C568-C581 WeakPolarHBondContact CA-SG 3.45Å; C568-C581 HydrophobicContact CB-CB 3.89Å; C568-C581 WeakPolarHBondContact CB-SG 3.47Å; C568-C581 WeakPolarHBondContact SG-CB 3.08Å; C568-C581 CovalentContact SG-SG 2.04Å; C568-C581 PolarHBondContact SG-SG 2.9Å; W572-C581 HydrophobicContact CB-CB 4.06Å; W572-C581 HydrophobicContact CE3-CB 4.36Å; W573-C581 CarbonylContact O-C 3.53Å; W573-C581 WeakPolarHBondContact O-CA 3.43Å
582	Q	92.3	Very high	87.3	Confident	120 Å²	120	75.6 Å²	75.6	56%	0.561	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	149.5	175.4	-60.7	-171.8	12	0	0	111	W572 W573 D575	W572-Q582 CarbonylContact C-O 3.57Å; W572-Q582 VanDerWaalsContact CA-O 3.25Å; W572-Q582 WeakPolarHBondContact CA-O 3.45Å; W572-Q582 VanDerWaalsContact CE3-C 3.44Å; W573-Q582 PolarHBondContact N-O 2.85Å; W573-Q582 PolarHBondContact O-N 2.88Å; D575-Q582 HydrophobicContact CB-CG 4.07Å
583	P	90.4	Very high	87.2	Confident	91 Å²	91	73.6 Å²	73.6	59%	0.591	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	132.3	-176.2	30.7	-33.6	0	0	0	111.3	W572	W572-P583 HydrophobicContact CD2-CB 4.32Å; W572-P583 HydrophobicContact CE3-CB 4.05Å; W572-P583 HydrophobicContact CE3-CG 4.5Å; W572-P583 HydrophobicContact CH2-CB 4.39Å; W572-P583 HydrophobicContact CZ3-CB 4.09Å; W572-P583 HydrophobicContact CZ3-CG 4.2Å
584	L	89	Confident	87.1	Confident	31 Å²	31	76.1 Å²	76.1	16%	0.162	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-67.5	142.6	178.5	-77.2	165.5	0	0	0	111.9	G571 W573 I742 V745	G571-L584 WeakPolarHBondContact O-CB 3.4Å; G571-L584 PolarHBondContact O-N 3.03Å; W573-L584 HydrophobicContact CB-CD1 4.46Å; W573-L584 HydrophobicContact CB-CD2 3.82Å; W573-L584 HydrophobicContact CB-CG 3.98Å; W573-L584 HydrophobicContact CG-CD2 4.37Å; L584-I742 VanDerWaalsContact CD1-O 3.3Å; L584-I742 WeakPolarHBondContact CD1-O 3.4Å; L584-V745 HydrophobicContact CB-CG2 3.69Å; L584-V745 HydrophobicContact CD1-CG2 4.08Å
585	P	88.6	Confident	87	Confident	102 Å²	102	80.6 Å²	80.6	66%	0.662	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-65.9	135.1	178.8	27.3	-34.3	0	0	0	111.5	K587	P585-K587 PolarHBondContact O-N 3.05Å
586	L	87.8	Confident	87.1	Confident	62 Å²	62	79.4 Å²	79.4	33%	0.325	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	110.3	179.8	-61.6	179.4	0	0	0	110.8	Y588 K737 V745	L586-Y588 WeakPolarHBondContact O-CD1 3.29Å; L586-K737 HydrophobicContact CD2-CD 4.2Å; L586-K737 HydrophobicContact CD2-CG 4.25Å; L586-V745 HydrophobicContact CD2-CB 4.06Å; L586-V745 HydrophobicContact CD2-CG1 3.47Å; L586-V745 VanDerWaalsContact CD2-CG1 3.47Å
587	K	84.3	Confident	87.5	Confident	94 Å²	94	74.5 Å²	74.5	41%	0.409	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	138.3	168.6	-62.8	-170.4	177.9	-171.7	0	110.1	P585 E744 V745 Y746 L747	P585-K587 PolarHBondContact O-N 3.05Å; K587-E744 IonicContact NZ-OE1 3.52Å; K587-E744 PolarHBondContact NZ-OE1 3.3Å; K587-V745 PolarHBondContact N-O 3.11Å; K587-Y746 HydrophobicContact CB-CD1 3.8Å; K587-Y746 HydrophobicContact CB-CE1 3.79Å; K587-Y746 HydrophobicContact CB-CG 4.32Å; K587-Y746 HydrophobicContact CD-CE1 4.22Å; K587-Y746 HydrophobicContact CD-CE2 4.49Å; K587-Y746 CarbonylContact O-C 3.6Å; K587-Y746 VanDerWaalsContact O-CA 3.3Å; K587-Y746 WeakPolarHBondContact O-CA 3.49Å; K587-L747 PolarHBondContact O-N 2.89Å
588	Y	86.3	Confident	88	Confident	77 Å²	77	70.8 Å²	70.8	30%	0.302	40%	0.396	S	S	.	.			trans	-150.2	165	169.1	56.7	-87.6	0	0	0	108.2	L586 D590 R654	L586-Y588 WeakPolarHBondContact O-CD1 3.29Å; Y588-D590 PolarHBondContact O-N 3.29Å; Y588-R654 HydrophobicContact CD2-CB 4.17Å; Y588-R654 HydrophobicContact CD2-CG 3.99Å; Y588-R654 HydrophobicContact CE1-CG 4.48Å; Y588-R654 HydrophobicContact CE2-CB 4.07Å; Y588-R654 HydrophobicContact CE2-CG 3.95Å; Y588-R654 HydrophobicContact CG-CG 4.33Å
589	L	83	Confident	88.3	Confident	41 Å²	41	68.5 Å²	68.5	22%	0.215	38%	0.384	C	S	.	.			trans	-68.4	121.7	175.9	-172.1	73.2	0	0	0	109	D593 S596 I652 I815 I816	L589-D593 HydrophobicContact CD1-CB 4.35Å; L589-D593 WeakPolarHBondContact CD1-OD2 3.4Å; L589-S596 WeakPolarHBondContact CG-OG 3.27Å; L589-I652 HydrophobicContact CD2-CB 4.49Å; L589-I652 HydrophobicContact CD2-CG1 4.04Å; L589-I652 HydrophobicContact CD2-CG2 4.43Å; L589-I815 HydrophobicContact CD2-CG2 4.09Å; L589-I816 HydrophobicContact CD1-CD1 3.86Å; L589-I816 HydrophobicContact CD1-CG1 4.24Å; L589-I816 HydrophobicContact CD2-CD1 4.47Å; L589-I816 HydrophobicContact CD2-CG1 3.93Å
590	D	83.8	Confident	88.7	Confident	60 Å²	60	66.4 Å²	66.4	32%	0.321	36%	0.364	S	S	.	.			trans	-94.3	159.9	-179.8	-151.5	-58.1	0	0	0	110.8	Y588 A592 D593 S596	Y588-D590 PolarHBondContact O-N 3.29Å; D590-A592 HydrophobicContact CB-CB 4.38Å; D590-A592 PolarHBondContact O-N 3Å; D590-A592 PolarHBondContact OD1-N 3.14Å; D590-A592 VanDerWaalsContact OD1-N 3.11Å; D590-D593 PolarHBondContact N-OD2 2.92Å; D590-D593 PolarHBondContact O-N 3.38Å; D590-S596 WeakPolarHBondContact O-CB 3.35Å; D590-S596 PolarHBondContact O-OG 3.49Å
591	W	86	Confident	89	Confident	112 Å²	112	69.4 Å²	69.4	42%	0.424	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-21.1	167.2	-57.8	92.1	0	0	0	112	D593 I597 V600 F649 I652 A653	W591-D593 VanDerWaalsContact C-N 3.33Å; W591-I597 VanDerWaalsContact O-CG1 3.23Å; W591-I597 WeakPolarHBondContact O-CG1 3.09Å; W591-V600 HydrophobicContact CE3-CG2 3.92Å; W591-V600 HydrophobicContact CZ3-CG2 3.71Å; W591-F649 HydrophobicContact CH2-CB 4.24Å; W591-F649 HydrophobicContact CH2-CD1 4.18Å; W591-F649 WeakPolarHBondContact CH2-O 3.1Å; W591-F649 HydrophobicContact CZ3-CD1 4.02Å; W591-I652 HydrophobicContact CD2-CG2 3.96Å; W591-I652 HydrophobicContact CE3-CG2 3.8Å; W591-I652 HydrophobicContact CH2-CG2 4.5Å; W591-I652 HydrophobicContact CZ3-CB 4.35Å; W591-I652 HydrophobicContact CZ3-CG2 4.08Å; W591-A653 HydrophobicContact CH2-CB 4.49Å; W591-A653 HydrophobicContact CZ2-CB 3.83Å
592	A	86.8	Confident	89.2	Confident	73 Å²	73	70.8 Å²	70.8	60%	0.603	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-18	174.2	0	0	0	0	0	114	D590 I597	D590-A592 HydrophobicContact CB-CB 4.38Å; D590-A592 PolarHBondContact O-N 3Å; D590-A592 PolarHBondContact OD1-N 3.14Å; D590-A592 VanDerWaalsContact OD1-N 3.11Å; A592-I597 WeakPolarHBondContact O-CD1 3.35Å
593	D	88.4	Confident	89.3	Confident	70 Å²	70	65 Å²	65	37%	0.374	35%	0.353	S	S	.	.	S	Bend	trans	-65.8	135.1	178.9	-69.8	-42.7	0	0	0	111.2	L589 D590 W591 E595 S596 I597	L589-D593 HydrophobicContact CD1-CB 4.35Å; L589-D593 WeakPolarHBondContact CD1-OD2 3.4Å; D590-D593 PolarHBondContact N-OD2 2.92Å; D590-D593 PolarHBondContact O-N 3.38Å; W591-D593 VanDerWaalsContact C-N 3.33Å; D593-E595 VanDerWaalsContact C-N 3.28Å; D593-E595 PolarHBondContact O-N 2.82Å; D593-S596 WeakPolarHBondContact O-CA 3.27Å; D593-S596 VanDerWaalsContact O-CB 3.27Å; D593-S596 WeakPolarHBondContact O-CB 3.31Å; D593-S596 PolarHBondContact O-N 3.24Å; D593-I597 WeakPolarHBondContact O-CG1 3.42Å; D593-I597 PolarHBondContact O-N 3.12Å
594	V	90.3	Very high	89.5	Confident	108 Å²	108	63.3 Å²	63.3	66%	0.655	34%	0.342	S	S	*	.	H	α-helix	trans	-55.8	-42.3	-174.5	-179	0	0	0	0	112.1	S596 I597 V598	V594-S596 VanDerWaalsContact C-N 3.35Å; V594-S596 PolarHBondContact O-N 3.11Å; V594-I597 PolarHBondContact O-N 3.38Å; V594-V598 WeakPolarHBondContact O-CG2 3.25Å; V594-V598 PolarHBondContact O-N 3.23Å
595	E	88.3	Confident	89.9	Confident	103 Å²	103	65.3 Å²	65.3	48%	0.481	36%	0.356	S	S	.	.	H	α-helix	trans	-63	-38.8	176.5	-61.3	-57.7	142.6	0	0	112.6	D593 A599 I816	D593-E595 VanDerWaalsContact C-N 3.28Å; D593-E595 PolarHBondContact O-N 2.82Å; E595-A599 WeakPolarHBondContact O-CB 3.37Å; E595-A599 PolarHBondContact O-N 3.44Å; E595-A599 VanDerWaalsContact O-N 3.07Å; E595-I816 HydrophobicContact CB-CD1 3.92Å; E595-I816 HydrophobicContact CB-CG2 4.2Å; E595-I816 HydrophobicContact CG-CD1 4.38Å
596	S	90.8	Very high	90.2	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.007	33%	0.326	C	S	.	.	H	α-helix	trans	-64.5	-46.1	174.7	-64.8	0	0	0	0	111.1	L589 D590 D593 V594 V598 A599 V600	L589-S596 WeakPolarHBondContact CG-OG 3.27Å; D590-S596 WeakPolarHBondContact O-CB 3.35Å; D590-S596 PolarHBondContact O-OG 3.49Å; D593-S596 WeakPolarHBondContact O-CA 3.27Å; D593-S596 VanDerWaalsContact O-CB 3.27Å; D593-S596 WeakPolarHBondContact O-CB 3.31Å; D593-S596 PolarHBondContact O-N 3.24Å; V594-S596 VanDerWaalsContact C-N 3.35Å; V594-S596 PolarHBondContact O-N 3.11Å; S596-V598 PolarHBondContact O-N 2.61Å; S596-A599 PolarHBondContact O-N 3.32Å; S596-V600 WeakPolarHBondContact O-CB 3.2Å; S596-V600 VanDerWaalsContact O-CG2 3.27Å; S596-V600 WeakPolarHBondContact O-CG2 3.17Å; S596-V600 PolarHBondContact O-N 2.77Å
597	I	91.3	Very high	90.6	Very high	82 Å²	82	59.4 Å²	59.4	42%	0.421	32%	0.319	S	S	.	.	H	α-helix	trans	-58.1	-48.4	177.9	-64.2	170.7	0	0	0	110.2	W591 A592 D593 V594 A599 V600 V601	W591-I597 VanDerWaalsContact O-CG1 3.23Å; W591-I597 WeakPolarHBondContact O-CG1 3.09Å; A592-I597 WeakPolarHBondContact O-CD1 3.35Å; D593-I597 WeakPolarHBondContact O-CG1 3.42Å; D593-I597 PolarHBondContact O-N 3.12Å; V594-I597 PolarHBondContact O-N 3.38Å; I597-A599 PolarHBondContact O-N 2.95Å; I597-V600 PolarHBondContact O-N 3.32Å; I597-V601 HydrophobicContact CG2-CG2 4.26Å; I597-V601 WeakPolarHBondContact O-CB 3.31Å; I597-V601 VanDerWaalsContact O-CG2 3.3Å; I597-V601 WeakPolarHBondContact O-CG2 3.37Å; I597-V601 PolarHBondContact O-N 3.49Å
598	V	92.8	Very high	91.1	Very high	76 Å²	76	60.8 Å²	60.8	46%	0.461	33%	0.33	S	S	.	.	H	α-helix	trans	-62.3	-45.1	-179.7	175	0	0	0	0	111.3	V594 S596 F602 F820	V594-V598 WeakPolarHBondContact O-CG2 3.25Å; V594-V598 PolarHBondContact O-N 3.23Å; S596-V598 PolarHBondContact O-N 2.61Å; V598-F602 WeakPolarHBondContact O-CB 3.39Å; V598-F602 PolarHBondContact O-N 2.89Å; V598-F820 HydrophobicContact CB-CZ 4.21Å; V598-F820 HydrophobicContact CG1-CE1 4.01Å; V598-F820 HydrophobicContact CG1-CZ 3.85Å
599	A	91.1	Very high	91.5	Very high	3 Å²	3	61.1 Å²	61.1	3%	0.025	34%	0.336	C	S	.	.	H	α-helix	trans	-63.2	-41.4	177.4	0	0	0	0	0	112.7	E595 S596 I597 S603 I652 F820	E595-A599 WeakPolarHBondContact O-CB 3.37Å; E595-A599 PolarHBondContact O-N 3.44Å; E595-A599 VanDerWaalsContact O-N 3.07Å; S596-A599 PolarHBondContact O-N 3.32Å; I597-A599 PolarHBondContact O-N 2.95Å; A599-S603 WeakPolarHBondContact O-CB 3.27Å; A599-S603 PolarHBondContact O-N 3Å; A599-S603 VanDerWaalsContact O-N 3.09Å; A599-S603 PolarHBondContact O-OG 2.82Å; A599-I652 HydrophobicContact CB-CD1 3.95Å; A599-F820 HydrophobicContact CB-CE1 4.07Å; A599-F820 HydrophobicContact CB-CE2 4.09Å; A599-F820 HydrophobicContact CB-CZ 3.79Å
600	V	92.8	Very high	92	Very high	24 Å²	24	59.1 Å²	59.1	15%	0.145	33%	0.326	C	S	.	.	H	α-helix	trans	-68.7	-45.6	178.8	169	0	0	0	0	111.6	W591 S596 I597 F602 S603 C604 F649 I652	W591-V600 HydrophobicContact CE3-CG2 3.92Å; W591-V600 HydrophobicContact CZ3-CG2 3.71Å; S596-V600 WeakPolarHBondContact O-CB 3.2Å; S596-V600 VanDerWaalsContact O-CG2 3.27Å; S596-V600 WeakPolarHBondContact O-CG2 3.17Å; S596-V600 PolarHBondContact O-N 2.77Å; I597-V600 PolarHBondContact O-N 3.32Å; V600-F602 PolarHBondContact O-N 3.22Å; V600-S603 WeakPolarHBondContact O-CA 3.4Å; V600-S603 WeakPolarHBondContact O-CB 3.26Å; V600-S603 PolarHBondContact O-N 3.16Å; V600-S603 VanDerWaalsContact O-N 3.11Å; V600-C604 PolarHBondContact O-N 3.18Å; V600-C604 PolarHBondContact O-SG 3.15Å; V600-F649 HydrophobicContact CG1-CE1 3.75Å; V600-F649 HydrophobicContact CG1-CZ 4.15Å; V600-I652 HydrophobicContact CG2-CD1 3.81Å
601	V	94.1	Very high	92.5	Very high	85 Å²	85	58.7 Å²	58.7	52%	0.515	33%	0.328	S	S	.	.	H	α-helix	trans	-61.9	-43.4	177.8	170.3	0	0	0	0	111.2	I597 S603 C604 V605	I597-V601 HydrophobicContact CG2-CG2 4.26Å; I597-V601 WeakPolarHBondContact O-CB 3.31Å; I597-V601 VanDerWaalsContact O-CG2 3.3Å; I597-V601 WeakPolarHBondContact O-CG2 3.37Å; I597-V601 PolarHBondContact O-N 3.49Å; V601-S603 VanDerWaalsContact C-N 3.26Å; V601-S603 PolarHBondContact O-N 3.25Å; V601-C604 PolarHBondContact O-N 2.81Å; V601-V605 WeakPolarHBondContact O-CG2 3.32Å; V601-V605 PolarHBondContact O-N 2.87Å; V601-V605 VanDerWaalsContact O-N 3.09Å
602	F	94.7	Very high	92.8	Very high	71 Å²	71	58.7 Å²	58.7	31%	0.311	33%	0.331	S	S	.	.	H	α-helix	trans	-58.9	-39.4	174.2	-173.9	-101.4	0	0	0	112	V598 V600 G606 Y645 L824 T827	V598-F602 WeakPolarHBondContact O-CB 3.39Å; V598-F602 PolarHBondContact O-N 2.89Å; V600-F602 PolarHBondContact O-N 3.22Å; F602-G606 PolarHBondContact O-N 3.34Å; F602-Y645 HydrophobicContact CE1-CE1 4.39Å; F602-L824 HydrophobicContact CZ-CD2 4.1Å; F602-T827 WeakPolarHBondContact CE1-OG1 3.42Å; F602-T827 HydrophobicContact CZ-CG2 4.12Å; F602-T827 WeakPolarHBondContact CZ-OG1 3.43Å
603	S	95.1	Very high	93.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-68.8	-43.3	177.5	-55.6	0	0	0	0	112.9	A599 V600 V601 V605 G606 I607 P648	A599-S603 WeakPolarHBondContact O-CB 3.27Å; A599-S603 PolarHBondContact O-N 3Å; A599-S603 VanDerWaalsContact O-N 3.09Å; A599-S603 PolarHBondContact O-OG 2.82Å; V600-S603 WeakPolarHBondContact O-CA 3.4Å; V600-S603 WeakPolarHBondContact O-CB 3.26Å; V600-S603 PolarHBondContact O-N 3.16Å; V600-S603 VanDerWaalsContact O-N 3.11Å; V601-S603 VanDerWaalsContact C-N 3.26Å; V601-S603 PolarHBondContact O-N 3.25Å; S603-V605 PolarHBondContact O-N 2.79Å; S603-G606 WeakPolarHBondContact O-CA 3.29Å; S603-G606 PolarHBondContact O-N 2.64Å; S603-I607 WeakPolarHBondContact O-CG1 3.3Å; S603-I607 PolarHBondContact O-N 3.02Å; S603-P648 WeakPolarHBondContact OG-CB 3.5Å; S603-P648 VanDerWaalsContact OG-CG 3.25Å; S603-P648 WeakPolarHBondContact OG-CG 3.28Å
604	C	95.3	Very high	93.2	Very high	54 Å²	54	54 Å²	54	37%	0.365	30%	0.297	S	S	.	.	H	α-helix	trans	-56.4	-47.5	173.7	-73.8	0	0	0	0	111.8	V600 V601 G606 I607 L608	V600-C604 PolarHBondContact O-N 3.18Å; V600-C604 PolarHBondContact O-SG 3.15Å; V601-C604 PolarHBondContact O-N 2.81Å; C604-G606 VanDerWaalsContact C-N 3.34Å; C604-G606 PolarHBondContact O-N 2.84Å; C604-I607 PolarHBondContact O-N 2.92Å; C604-L608 WeakPolarHBondContact O-CG 3.47Å; C604-L608 PolarHBondContact O-N 3.26Å
605	V	95.6	Very high	93.3	Very high	74 Å²	74	54.7 Å²	54.7	45%	0.448	29%	0.292	S	S	.	.	H	α-helix	trans	-62.1	-42.7	176.2	173.9	0	0	0	0	110.8	V601 S603 L608 I609	V601-V605 WeakPolarHBondContact O-CG2 3.32Å; V601-V605 PolarHBondContact O-N 2.87Å; V601-V605 VanDerWaalsContact O-N 3.09Å; S603-V605 PolarHBondContact O-N 2.79Å; V605-L608 PolarHBondContact O-N 3.09Å; V605-I609 HydrophobicContact CG1-CD1 3.73Å; V605-I609 HydrophobicContact CG1-CG1 4.44Å; V605-I609 VanDerWaalsContact O-CG1 3.31Å; V605-I609 WeakPolarHBondContact O-CG1 3.04Å; V605-I609 PolarHBondContact O-N 2.85Å
606	G	94.8	Very high	93.3	Very high	3 Å²	3	50.6 Å²	50.6	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-57.9	-45.8	174.1	0	0	0	0	0	114	F602 S603 C604 T610 Y645	F602-G606 PolarHBondContact O-N 3.34Å; S603-G606 WeakPolarHBondContact O-CA 3.29Å; S603-G606 PolarHBondContact O-N 2.64Å; C604-G606 VanDerWaalsContact C-N 3.34Å; C604-G606 PolarHBondContact O-N 2.84Å; G606-T610 VanDerWaalsContact O-CB 3.26Å; G606-T610 WeakPolarHBondContact O-CB 3.36Å; G606-T610 PolarHBondContact O-N 3.16Å; G606-T610 PolarHBondContact O-OG1 2.92Å; G606-Y645 VanDerWaalsContact CA-CZ 3.42Å
607	I	96.4	Very high	93.2	Very high	36 Å²	36	50.6 Å²	50.6	19%	0.185	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-46	176.8	-71.2	168.7	0	0	0	110.9	S603 C604 T610 S611 F642 I646 F649	S603-I607 WeakPolarHBondContact O-CG1 3.3Å; S603-I607 PolarHBondContact O-N 3.02Å; C604-I607 PolarHBondContact O-N 2.92Å; I607-T610 PolarHBondContact O-N 2.81Å; I607-S611 VanDerWaalsContact O-CB 3.28Å; I607-S611 WeakPolarHBondContact O-CB 3.36Å; I607-S611 PolarHBondContact O-N 2.87Å; I607-S611 PolarHBondContact O-OG 3.14Å; I607-F642 HydrophobicContact CG2-CE2 3.97Å; I607-I646 HydrophobicContact CD1-CG1 4.37Å; I607-F649 HydrophobicContact CD1-CE2 3.8Å; I607-F649 HydrophobicContact CD1-CZ 4.41Å
608	L	95.4	Very high	93	Very high	123 Å²	123	50.7 Å²	50.7	64%	0.644	27%	0.273	S	S	*	.	H	α-helix	trans	-61.8	-47.7	179.5	-71.6	170.1	0	0	0	111.7	C604 V605 S611 F612	C604-L608 WeakPolarHBondContact O-CG 3.47Å; C604-L608 PolarHBondContact O-N 3.26Å; V605-L608 PolarHBondContact O-N 3.09Å; L608-S611 PolarHBondContact O-N 3.24Å; L608-F612 WeakPolarHBondContact O-CB 3.35Å; L608-F612 PolarHBondContact O-N 3.18Å
609	I	94.3	Very high	92.8	Very high	84 Å²	84	53.1 Å²	53.1	43%	0.431	28%	0.28	S	S	.	.	H	α-helix	trans	-65.3	-42.8	178	-61.8	168.7	0	0	0	110.6	V605 S611 F612 V613 L830	V605-I609 HydrophobicContact CG1-CD1 3.73Å; V605-I609 HydrophobicContact CG1-CG1 4.44Å; V605-I609 VanDerWaalsContact O-CG1 3.31Å; V605-I609 WeakPolarHBondContact O-CG1 3.04Å; V605-I609 PolarHBondContact O-N 2.85Å; I609-S611 VanDerWaalsContact C-N 3.32Å; I609-S611 PolarHBondContact O-N 3.29Å; I609-F612 PolarHBondContact O-N 3.17Å; I609-V613 HydrophobicContact CG2-CG2 4.34Å; I609-V613 WeakPolarHBondContact O-CB 3.43Å; I609-V613 VanDerWaalsContact O-CG2 3.31Å; I609-V613 WeakPolarHBondContact O-CG2 3.31Å; I609-V613 PolarHBondContact O-N 3.14Å; I609-L830 HydrophobicContact CB-CD2 4.35Å; I609-L830 HydrophobicContact CG2-CD2 3.9Å
610	T	94.8	Very high	92.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.9	-39.9	178.2	-57	0	0	0	0	111.7	G606 I607 T614 L638 I641 F642 Y645 L830	G606-T610 VanDerWaalsContact O-CB 3.26Å; G606-T610 WeakPolarHBondContact O-CB 3.36Å; G606-T610 PolarHBondContact O-N 3.16Å; G606-T610 PolarHBondContact O-OG1 2.92Å; I607-T610 PolarHBondContact O-N 2.81Å; T610-T614 VanDerWaalsContact O-CB 3.31Å; T610-T614 WeakPolarHBondContact O-CB 3.08Å; T610-T614 PolarHBondContact O-N 3.18Å; T610-T614 PolarHBondContact O-OG1 2.96Å; T610-L638 HydrophobicContact CG2-CD2 4.35Å; T610-I641 HydrophobicContact CG2-CB 4.38Å; T610-I641 HydrophobicContact CG2-CG2 3.85Å; T610-I641 WeakPolarHBondContact OG1-CG2 3.36Å; T610-F642 HydrophobicContact CG2-CB 4.09Å; T610-Y645 WeakPolarHBondContact OG1-CE2 3.31Å; T610-L830 WeakPolarHBondContact OG1-CD2 3.48Å
611	S	93.1	Very high	92.1	Very high	51 Å²	51	63.9 Å²	63.9	36%	0.357	32%	0.318	S	S	.	.	H	α-helix	trans	-65.9	-44.9	176.7	-58.1	0	0	0	0	111.4	I607 L608 I609 T614 F615	I607-S611 VanDerWaalsContact O-CB 3.28Å; I607-S611 WeakPolarHBondContact O-CB 3.36Å; I607-S611 PolarHBondContact O-N 2.87Å; I607-S611 PolarHBondContact O-OG 3.14Å; L608-S611 PolarHBondContact O-N 3.24Å; I609-S611 VanDerWaalsContact C-N 3.32Å; I609-S611 PolarHBondContact O-N 3.29Å; S611-T614 PolarHBondContact O-N 2.68Å; S611-F615 WeakPolarHBondContact O-CB 3.35Å; S611-F615 PolarHBondContact O-N 3.45Å
612	F	93.6	Very high	91.4	Very high	111 Å²	111	64 Å²	64	49%	0.487	32%	0.315	S	S	.	.	H	α-helix	trans	-60.5	-48.5	174.5	176.2	-103.3	0	0	0	112.2	L608 I609 T614 F615 I616 I842	L608-F612 WeakPolarHBondContact O-CB 3.35Å; L608-F612 PolarHBondContact O-N 3.18Å; I609-F612 PolarHBondContact O-N 3.17Å; F612-T614 VanDerWaalsContact C-N 3.31Å; F612-T614 PolarHBondContact O-N 3.43Å; F612-F615 PolarHBondContact O-N 3.45Å; F612-I616 HydrophobicContact CD2-CG1 4.43Å; F612-I616 HydrophobicContact CE1-CG1 4.18Å; F612-I616 HydrophobicContact CE2-CD1 4.13Å; F612-I616 HydrophobicContact CE2-CG1 4.05Å; F612-I616 HydrophobicContact CZ-CD1 4.16Å; F612-I616 HydrophobicContact CZ-CG1 3.92Å; F612-I616 WeakPolarHBondContact O-CG1 3.5Å; F612-I616 PolarHBondContact O-N 3.21Å; F612-I842 HydrophobicContact CE1-CD1 4.28Å; F612-I842 HydrophobicContact CZ-CD1 4.24Å
613	V	92.3	Very high	90.8	Very high	9 Å²	9	61.7 Å²	61.7	6%	0.055	31%	0.307	C	S	.	.	H	α-helix	trans	-58.5	-44.3	175.9	170.1	0	0	0	0	110.7	I609 I616 F617 L638 L830 F834 M838	I609-V613 HydrophobicContact CG2-CG2 4.34Å; I609-V613 WeakPolarHBondContact O-CB 3.43Å; I609-V613 VanDerWaalsContact O-CG2 3.31Å; I609-V613 WeakPolarHBondContact O-CG2 3.31Å; I609-V613 PolarHBondContact O-N 3.14Å; V613-I616 PolarHBondContact O-N 2.93Å; V613-F617 HydrophobicContact CG1-CD2 3.92Å; V613-F617 HydrophobicContact CG1-CE2 4.07Å; V613-F617 WeakPolarHBondContact O-CB 3.37Å; V613-F617 WeakPolarHBondContact O-CD2 3.2Å; V613-F617 PolarHBondContact O-N 2.59Å; V613-L638 HydrophobicContact CG1-CD2 3.8Å; V613-L830 HydrophobicContact CG1-CD1 4.45Å; V613-L830 HydrophobicContact CG2-CD1 4.33Å; V613-F834 HydrophobicContact CG1-CB 4.02Å; V613-F834 HydrophobicContact CG1-CD1 3.9Å; V613-F834 HydrophobicContact CG1-CG 4.19Å; V613-M838 HydrophobicContact CB-SD 4.18Å; V613-M838 HydrophobicContact CG1-CG 4.35Å; V613-M838 HydrophobicContact CG1-SD 3.95Å; V613-M838 HydrophobicContact CG2-CG 4.09Å; V613-M838 HydrophobicContact CG2-SD 4.03Å
614	T	90.8	Very high	89.7	Confident	36 Å²	36	63.4 Å²	63.4	22%	0.221	32%	0.319	C	S	.	.	H	α-helix	trans	-63.1	-44.4	178.7	-57.8	0	0	0	0	111.8	T610 S611 F612 F617 I618	T610-T614 VanDerWaalsContact O-CB 3.31Å; T610-T614 WeakPolarHBondContact O-CB 3.08Å; T610-T614 PolarHBondContact O-N 3.18Å; T610-T614 PolarHBondContact O-OG1 2.96Å; S611-T614 PolarHBondContact O-N 2.68Å; F612-T614 VanDerWaalsContact C-N 3.31Å; F612-T614 PolarHBondContact O-N 3.43Å; T614-F617 PolarHBondContact O-N 3.23Å; T614-I618 HydrophobicContact CG2-CD1 3.96Å; T614-I618 WeakPolarHBondContact O-CG1 3.35Å; T614-I618 PolarHBondContact O-N 3.34Å
615	F	91.5	Very high	88.9	Confident	123 Å²	123	61.1 Å²	61.1	54%	0.539	30%	0.303	S	S	.	.	H	α-helix	trans	-58.4	-48.7	175.3	175	-101.8	0	0	0	112.1	S611 F612 F617 I618 Q619	S611-F615 WeakPolarHBondContact O-CB 3.35Å; S611-F615 PolarHBondContact O-N 3.45Å; F612-F615 PolarHBondContact O-N 3.45Å; F615-F617 VanDerWaalsContact C-N 3.33Å; F615-F617 PolarHBondContact O-N 3.19Å; F615-I618 PolarHBondContact O-N 2.63Å; F615-Q619 WeakPolarHBondContact O-CB 3.25Å; F615-Q619 PolarHBondContact O-N 3.25Å
616	I	90	Very high	88.1	Confident	16 Å²	16	57.7 Å²	57.7	8%	0.082	28%	0.282	C	S	.	.	H	α-helix	trans	-62.8	-38.9	177.2	-60.9	-65.3	0	0	0	111.1	F612 V613 I618 Y620 M838 I841 I842	F612-I616 HydrophobicContact CD2-CG1 4.43Å; F612-I616 HydrophobicContact CE1-CG1 4.18Å; F612-I616 HydrophobicContact CE2-CD1 4.13Å; F612-I616 HydrophobicContact CE2-CG1 4.05Å; F612-I616 HydrophobicContact CZ-CD1 4.16Å; F612-I616 HydrophobicContact CZ-CG1 3.92Å; F612-I616 WeakPolarHBondContact O-CG1 3.5Å; F612-I616 PolarHBondContact O-N 3.21Å; V613-I616 PolarHBondContact O-N 2.93Å; I616-I618 VanDerWaalsContact C-N 3.34Å; I616-I618 PolarHBondContact O-N 2.72Å; I616-Y620 HydrophobicContact CD1-CE2 4.36Å; I616-Y620 HydrophobicContact CG2-CD2 3.82Å; I616-Y620 HydrophobicContact CG2-CE2 4.35Å; I616-Y620 WeakPolarHBondContact O-CB 3.45Å; I616-Y620 WeakPolarHBondContact O-CD2 3.36Å; I616-Y620 PolarHBondContact O-N 3.35Å; I616-M838 HydrophobicContact CB-CE 4Å; I616-M838 HydrophobicContact CB-SD 3.95Å; I616-M838 HydrophobicContact CG2-CE 3.37Å; I616-M838 HydrophobicContact CG2-SD 3.86Å; I616-I841 HydrophobicContact CG2-CG2 3.95Å; I616-I842 HydrophobicContact CG2-CD1 4.42Å; I616-I842 HydrophobicContact CG2-CG1 4.48Å
617	F	87.4	Confident	87.1	Confident	1 Å²	1	63.3 Å²	63.3	0%	0.004	31%	0.305	C	S	.	.	H	α-helix	trans	-65.4	-32.9	175.3	-96.8	-101.7	0	0	0	113.6	V613 T614 F615 R621 V626 C634 Y635 L638 F834 K837 M838	V613-F617 HydrophobicContact CG1-CD2 3.92Å; V613-F617 HydrophobicContact CG1-CE2 4.07Å; V613-F617 WeakPolarHBondContact O-CB 3.37Å; V613-F617 WeakPolarHBondContact O-CD2 3.2Å; V613-F617 PolarHBondContact O-N 2.59Å; T614-F617 PolarHBondContact O-N 3.23Å; F615-F617 VanDerWaalsContact C-N 3.33Å; F615-F617 PolarHBondContact O-N 3.19Å; F617-R621 WeakPolarHBondContact O-CA 3.49Å; F617-R621 PolarHBondContact O-N 3.21Å; F617-V626 HydrophobicContact CD1-CG1 3.92Å; F617-V626 HydrophobicContact CD1-CG2 4.1Å; F617-V626 HydrophobicContact CE1-CG1 4.3Å; F617-V626 HydrophobicContact CE1-CG2 4.14Å; F617-C634 HydrophobicContact CE1-CB 4.45Å; F617-Y635 HydrophobicContact CB-CE1 4.18Å; F617-Y635 PolarHBondContact O-OH 2.96Å; F617-L638 HydrophobicContact CG-CD1 4.46Å; F617-F834 HydrophobicContact CD2-CD1 4.43Å; F617-F834 HydrophobicContact CE1-CD1 4.48Å; F617-F834 HydrophobicContact CE1-CE1 4.42Å; F617-F834 AromaticContact CE2-CD1 3.67Å; F617-F834 HydrophobicContact CE2-CD1 3.67Å; F617-F834 HydrophobicContact CE2-CE1 4.31Å; F617-F834 AromaticContact CZ-CD1 3.7Å; F617-F834 HydrophobicContact CZ-CD1 3.7Å; F617-F834 HydrophobicContact CZ-CE1 4.06Å; F617-K837 HydrophobicContact CZ-CB 4.14Å; F617-K837 HydrophobicContact CZ-CD 3.95Å; F617-M838 HydrophobicContact CD2-CE 3.46Å; F617-M838 VanDerWaalsContact CD2-CE 3.46Å; F617-M838 HydrophobicContact CD2-SD 4.08Å; F617-M838 HydrophobicContact CE2-CE 3.37Å; F617-M838 HydrophobicContact CE2-SD 4.07Å; F617-M838 HydrophobicContact CZ-CE 4.45Å
618	I	87.9	Confident	85.8	Confident	84 Å²	84	63.9 Å²	63.9	43%	0.431	31%	0.313	S	S	.	.	H	α-helix	trans	-75.1	-47.7	175.1	-68.7	168.1	0	0	0	110.7	T614 F615 I616 R621 Y635	T614-I618 HydrophobicContact CG2-CD1 3.96Å; T614-I618 WeakPolarHBondContact O-CG1 3.35Å; T614-I618 PolarHBondContact O-N 3.34Å; F615-I618 PolarHBondContact O-N 2.63Å; I616-I618 VanDerWaalsContact C-N 3.34Å; I616-I618 PolarHBondContact O-N 2.72Å; I618-R621 VanDerWaalsContact O-CB 3.23Å; I618-R621 WeakPolarHBondContact O-CB 3.09Å; I618-R621 WeakPolarHBondContact O-CD 3.1Å; I618-R621 VanDerWaalsContact O-CG 3.23Å; I618-R621 WeakPolarHBondContact O-CG 3.38Å; I618-R621 PolarHBondContact O-N 3.03Å; I618-Y635 HydrophobicContact CG1-CE1 3.93Å
619	Q	88.6	Confident	84.6	Confident	128 Å²	128	58.4 Å²	58.4	60%	0.598	29%	0.285	S	S	*	.	H	α-helix	trans	-63.2	-45.1	-178.3	-174.7	64.4	5.1	0	0	111.7	F615 R621	F615-Q619 WeakPolarHBondContact O-CB 3.25Å; F615-Q619 PolarHBondContact O-N 3.25Å; Q619-R621 VanDerWaalsContact C-N 3.33Å; Q619-R621 PolarHBondContact O-N 3.02Å
620	Y	86.6	Confident	83.8	Confident	111 Å²	111	55.1 Å²	55.1	44%	0.435	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	23.9	-179.4	-66.1	-82.2	0	0	0	113.3	I616 D622 T623 I841	I616-Y620 HydrophobicContact CD1-CE2 4.36Å; I616-Y620 HydrophobicContact CG2-CD2 3.82Å; I616-Y620 HydrophobicContact CG2-CE2 4.35Å; I616-Y620 WeakPolarHBondContact O-CB 3.45Å; I616-Y620 WeakPolarHBondContact O-CD2 3.36Å; I616-Y620 PolarHBondContact O-N 3.35Å; Y620-D622 PolarHBondContact O-N 2.96Å; Y620-T623 HydrophobicContact CD1-CG2 4.08Å; Y620-T623 HydrophobicContact CG-CG2 4.44Å; Y620-T623 WeakPolarHBondContact O-CB 3.38Å; Y620-T623 WeakPolarHBondContact O-CG2 3.5Å; Y620-T623 PolarHBondContact O-N 3.2Å; Y620-T623 PolarHBondContact O-OG1 3.45Å; Y620-I841 HydrophobicContact CD2-CG2 4.12Å; Y620-I841 HydrophobicContact CG-CG2 4.03Å
621	R	81.6	Confident	83.2	Confident	142 Å²	142	58.2 Å²	58.2	54%	0.536	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-30	-173.3	61.3	-175.2	-179	-165.7	-6.9	115.9	F617 I618 Q619 R631	F617-R621 WeakPolarHBondContact O-CA 3.49Å; F617-R621 PolarHBondContact O-N 3.21Å; I618-R621 VanDerWaalsContact O-CB 3.23Å; I618-R621 WeakPolarHBondContact O-CB 3.09Å; I618-R621 WeakPolarHBondContact O-CD 3.1Å; I618-R621 VanDerWaalsContact O-CG 3.23Å; I618-R621 WeakPolarHBondContact O-CG 3.38Å; I618-R621 PolarHBondContact O-N 3.03Å; Q619-R621 VanDerWaalsContact C-N 3.33Å; Q619-R621 PolarHBondContact O-N 3.02Å; R621-R631 VanDerWaalsContact O-CD 3.25Å; R621-R631 WeakPolarHBondContact O-CD 3.23Å; R621-R631 PolarHBondContact O-NH1 3.36Å
622	D	79.7	Confident	82.9	Confident	87 Å²	87	59.8 Å²	59.8	47%	0.465	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	0.7	-177.1	-77.3	-61.5	0	0	0	115.2	Y620 K627 R631	Y620-D622 PolarHBondContact O-N 2.96Å; D622-K627 IonicContact OD1-NZ 2.65Å; D622-K627 PolarHBondContact OD1-NZ 3.04Å; D622-R631 IonicContact OD1-CZ 3.69Å; D622-R631 IonicContact OD1-NH1 2.67Å; D622-R631 PolarHBondContact OD1-NH1 2.83Å
623	T	81.6	Confident	82.6	Confident	22 Å²	22	54.6 Å²	54.6	14%	0.135	26%	0.26	C	S	.	.	S	Bend	trans	-60.6	144.6	169.6	58.8	0	0	0	0	111.6	Y620 V625 V626 K627 N848	Y620-T623 HydrophobicContact CD1-CG2 4.08Å; Y620-T623 HydrophobicContact CG-CG2 4.44Å; Y620-T623 WeakPolarHBondContact O-CB 3.38Å; Y620-T623 WeakPolarHBondContact O-CG2 3.5Å; Y620-T623 PolarHBondContact O-N 3.2Å; Y620-T623 PolarHBondContact O-OG1 3.45Å; T623-V625 VanDerWaalsContact C-N 3.26Å; T623-V625 PolarHBondContact O-N 2.61Å; T623-V626 PolarHBondContact O-N 3Å; T623-V626 VanDerWaalsContact O-N 3.16Å; T623-V626 WeakPolarHBondContact OG1-CG2 3.49Å; T623-K627 WeakPolarHBondContact O-CB 3.21Å; T623-K627 PolarHBondContact O-N 3.44Å; T623-N848 WeakPolarHBondContact CB-ND2 3.49Å; T623-N848 WeakPolarHBondContact CG2-ND2 3.29Å
624	P	73.4	Confident	82.4	Confident	37 Å²	37	54.2 Å²	54.2	24%	0.24	26%	0.257	C	S	.	.	H	α-helix	trans	-63.9	-26	-177	24.1	-33.4	0	0	0	113.7	S628 N848	P624-S628 WeakPolarHBondContact O-CB 3.24Å; P624-S628 PolarHBondContact O-N 3.26Å; P624-S628 PolarHBondContact O-OG 3.39Å; P624-N848 VanDerWaalsContact CD-OD1 3.26Å; P624-N848 WeakPolarHBondContact CD-OD1 3.38Å; P624-N848 WeakPolarHBondContact CG-O 3.25Å; P624-N848 WeakPolarHBondContact CG-OD1 3.28Å
625	V	77.4	Confident	82.5	Confident	6 Å²	6	55.5 Å²	55.5	4%	0.036	26%	0.259	C	S	.	.	H	α-helix	trans	-63.7	-48.2	171.8	170.4	0	0	0	0	111.7	T623 S628 S629 K837 I840 I841 N848 F853	T623-V625 VanDerWaalsContact C-N 3.26Å; T623-V625 PolarHBondContact O-N 2.61Å; V625-S628 PolarHBondContact O-OG 2.93Å; V625-S629 PolarHBondContact O-N 2.96Å; V625-S629 PolarHBondContact O-OG 2.85Å; V625-K837 HydrophobicContact CG1-CB 4.41Å; V625-I840 HydrophobicContact CG2-CG2 3.76Å; V625-I841 HydrophobicContact CB-CG1 4.39Å; V625-I841 HydrophobicContact CG1-CD1 4.11Å; V625-I841 HydrophobicContact CG1-CG1 4.19Å; V625-N848 HydrophobicContact CG2-CB 4.48Å; V625-N848 VanDerWaalsContact CG2-OD1 3.25Å; V625-N848 WeakPolarHBondContact CG2-OD1 3.33Å; V625-N848 PolarHBondContact N-OD1 3.04Å; V625-F853 HydrophobicContact CG2-CE2 3.96Å; V625-F853 HydrophobicContact CG2-CZ 3.83Å
626	V	78.6	Confident	82.5	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.006	24%	0.242	C	C	.	.	H	α-helix	trans	-71.4	-36.6	178.4	-180	0	0	0	0	110.7	F617 T623 S629 R631 I841	F617-V626 HydrophobicContact CD1-CG1 3.92Å; F617-V626 HydrophobicContact CD1-CG2 4.1Å; F617-V626 HydrophobicContact CE1-CG1 4.3Å; F617-V626 HydrophobicContact CE1-CG2 4.14Å; T623-V626 PolarHBondContact O-N 3Å; T623-V626 VanDerWaalsContact O-N 3.16Å; T623-V626 WeakPolarHBondContact OG1-CG2 3.49Å; V626-S629 WeakPolarHBondContact O-CB 2.92Å; V626-S629 VanDerWaalsContact O-O 3.08Å; V626-R631 HydrophobicContact CG1-CG 3.9Å; V626-R631 WeakPolarHBondContact O-CG 3.39Å; V626-I841 HydrophobicContact CG2-CD1 3.61Å
627	K	74.1	Confident	82.6	Confident	121 Å²	121	50.6 Å²	50.6	53%	0.526	24%	0.238	S	C	.	.	H	α-helix	trans	-80.9	-22.1	-175.9	-162.1	166.5	-170	153.2	0	115.2	D622 T623	D622-K627 IonicContact OD1-NZ 2.65Å; D622-K627 PolarHBondContact OD1-NZ 3.04Å; T623-K627 WeakPolarHBondContact O-CB 3.21Å; T623-K627 PolarHBondContact O-N 3.44Å
628	S	69.3	Low	82.9	Confident	48 Å²	48	50.7 Å²	50.7	34%	0.336	24%	0.238	S	C	.	.	H	α-helix	trans	-80.3	-36.8	170.5	56.5	0	0	0	0	111.8	P624 V625	P624-S628 WeakPolarHBondContact O-CB 3.24Å; P624-S628 PolarHBondContact O-N 3.26Å; P624-S628 PolarHBondContact O-OG 3.39Å; V625-S628 PolarHBondContact O-OG 2.93Å
629	S	70.7	Confident	83.2	Confident	8 Å²	8	48.6 Å²	48.6	6%	0.056	23%	0.234	C	C	.	.	S	Bend	trans	-57.7	147.3	162.8	-53.7	0	0	0	0	110.2	V625 V626 R631 K837	V625-S629 PolarHBondContact O-N 2.96Å; V625-S629 PolarHBondContact O-OG 2.85Å; V626-S629 WeakPolarHBondContact O-CB 2.92Å; V626-S629 VanDerWaalsContact O-O 3.08Å; S629-R631 PolarHBondContact O-N 2.96Å; S629-K837 PolarHBondContact OG-NZ 3.45Å
630	S	77.7	Confident	83.4	Confident	15 Å²	15	42.5 Å²	42.5	11%	0.105	21%	0.205	C	C	.	.			trans	-70.4	92.5	169.5	-67.7	0	0	0	0	109.3	E632 L633 C634 R684 Q709	S630-E632 PolarHBondContact O-N 3.18Å; S630-L633 PolarHBondContact O-N 3.18Å; S630-L633 VanDerWaalsContact O-N 3.13Å; S630-C634 PolarHBondContact O-N 3.22Å; S630-C634 PolarHBondContact O-SG 2.93Å; S630-R684 PolarHBondContact OG-NH1 2.77Å; S630-Q709 PolarHBondContact OG-OE1 3.09Å
631	R	81.9	Confident	83.8	Confident	66 Å²	66	37.2 Å²	37.2	25%	0.249	19%	0.185	C	C	.	.	H	α-helix	trans	-46.6	-54.8	-176.3	-65.8	-164.1	-59.9	-161.8	6.3	112.3	R621 D622 V626 S629 L633 C634 Y635	R621-R631 VanDerWaalsContact O-CD 3.25Å; R621-R631 WeakPolarHBondContact O-CD 3.23Å; R621-R631 PolarHBondContact O-NH1 3.36Å; D622-R631 IonicContact OD1-CZ 3.69Å; D622-R631 IonicContact OD1-NH1 2.67Å; D622-R631 PolarHBondContact OD1-NH1 2.83Å; V626-R631 HydrophobicContact CG1-CG 3.9Å; V626-R631 WeakPolarHBondContact O-CG 3.39Å; S629-R631 PolarHBondContact O-N 2.96Å; R631-L633 VanDerWaalsContact C-N 3.34Å; R631-L633 PolarHBondContact O-N 2.77Å; R631-C634 WeakPolarHBondContact O-CA 3.34Å; R631-C634 WeakPolarHBondContact O-CB 3.23Å; R631-C634 PolarHBondContact O-N 2.68Å; R631-Y635 HydrophobicContact CB-CE2 4.27Å; R631-Y635 WeakPolarHBondContact O-CD2 3.35Å; R631-Y635 PolarHBondContact O-N 2.99Å
632	E	86.8	Confident	84.5	Confident	84 Å²	84	34.4 Å²	34.4	39%	0.393	18%	0.176	S	C	.	.	H	α-helix	trans	-57.6	-42.7	-177.9	-35.8	-37.8	126.8	0	0	112.8	S630 C634 Y635 I636 V710	S630-E632 PolarHBondContact O-N 3.18Å; E632-C634 VanDerWaalsContact C-N 3.3Å; E632-C634 PolarHBondContact O-N 3.25Å; E632-Y635 PolarHBondContact O-N 3.25Å; E632-I636 WeakPolarHBondContact O-CG1 3.23Å; E632-I636 PolarHBondContact O-N 3.3Å; E632-V710 HydrophobicContact CB-CG2 3.49Å; E632-V710 VanDerWaalsContact CB-CG2 3.49Å; E632-V710 HydrophobicContact CG-CG2 3.96Å
633	L	86.6	Confident	85.2	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-68.3	-29.8	176.4	-61.3	-176.5	0	0	0	112.3	S630 R631 I636 I637 A677 T680 K681 Q709 A713	S630-L633 PolarHBondContact O-N 3.18Å; S630-L633 VanDerWaalsContact O-N 3.13Å; R631-L633 VanDerWaalsContact C-N 3.34Å; R631-L633 PolarHBondContact O-N 2.77Å; L633-I636 HydrophobicContact CD2-CD1 4.39Å; L633-I637 WeakPolarHBondContact O-CD1 3.5Å; L633-I637 VanDerWaalsContact O-CG1 3.24Å; L633-I637 WeakPolarHBondContact O-CG1 3.21Å; L633-I637 PolarHBondContact O-N 3.16Å; L633-I637 VanDerWaalsContact O-N 3.1Å; L633-A677 HydrophobicContact CD2-CB 4.49Å; L633-T680 HydrophobicContact CD1-CG2 3.94Å; L633-T680 HydrophobicContact CD2-CG2 4.16Å; L633-K681 HydrophobicContact CD1-CB 3.98Å; L633-Q709 HydrophobicContact CD1-CB 4.2Å; L633-Q709 HydrophobicContact CD2-CB 4.37Å; L633-Q709 HydrophobicContact CG-CB 4.47Å; L633-A713 HydrophobicContact CD2-CB 3.96Å
634	C	89.3	Confident	85.7	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.007	16%	0.161	C	C	.	.	H	α-helix	trans	-72.6	-36.3	176.8	-59.1	0	0	0	0	111.1	F617 S630 R631 E632 I637 L638 F834	F617-C634 HydrophobicContact CE1-CB 4.45Å; S630-C634 PolarHBondContact O-N 3.22Å; S630-C634 PolarHBondContact O-SG 2.93Å; R631-C634 WeakPolarHBondContact O-CA 3.34Å; R631-C634 WeakPolarHBondContact O-CB 3.23Å; R631-C634 PolarHBondContact O-N 2.68Å; E632-C634 VanDerWaalsContact C-N 3.3Å; E632-C634 PolarHBondContact O-N 3.25Å; C634-I637 PolarHBondContact O-N 3.25Å; C634-L638 WeakPolarHBondContact O-CG 3.39Å; C634-L638 PolarHBondContact O-N 2.68Å; C634-F834 HydrophobicContact CB-CE1 4.32Å
635	Y	90.9	Very high	86.8	Confident	64 Å²	64	30.2 Å²	30.2	25%	0.251	15%	0.151	S	C	.	.	H	α-helix	trans	-66.9	-39.3	172	-63.5	-51.9	0	0	0	112.4	F617 I618 R631 E632 I637 L638 A639	F617-Y635 HydrophobicContact CB-CE1 4.18Å; F617-Y635 PolarHBondContact O-OH 2.96Å; I618-Y635 HydrophobicContact CG1-CE1 3.93Å; R631-Y635 HydrophobicContact CB-CE2 4.27Å; R631-Y635 WeakPolarHBondContact O-CD2 3.35Å; R631-Y635 PolarHBondContact O-N 2.99Å; E632-Y635 PolarHBondContact O-N 3.25Å; Y635-I637 VanDerWaalsContact C-N 3.33Å; Y635-I637 PolarHBondContact O-N 3.23Å; Y635-L638 PolarHBondContact O-N 3.15Å; Y635-A639 WeakPolarHBondContact O-CB 3.12Å; Y635-A639 PolarHBondContact O-N 2.97Å
636	I	92.4	Very high	87.6	Confident	35 Å²	35	32.2 Å²	32.2	18%	0.179	16%	0.161	C	C	.	.	H	α-helix	trans	-61.8	-40.5	173.8	-65.2	165	0	0	0	111.2	E632 L633 G640 A677 I717	E632-I636 WeakPolarHBondContact O-CG1 3.23Å; E632-I636 PolarHBondContact O-N 3.3Å; L633-I636 HydrophobicContact CD2-CD1 4.39Å; I636-G640 PolarHBondContact O-N 2.88Å; I636-A677 HydrophobicContact CB-CB 4.18Å; I636-A677 HydrophobicContact CG2-CB 3.86Å; I636-I717 HydrophobicContact CG2-CD1 4Å
637	I	92.6	Very high	88.2	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.1	-45	175.1	-66.5	163.5	0	0	0	111	L633 C634 Y635 A639 G640 I641 A677 L678 M833 F834	L633-I637 WeakPolarHBondContact O-CD1 3.5Å; L633-I637 VanDerWaalsContact O-CG1 3.24Å; L633-I637 WeakPolarHBondContact O-CG1 3.21Å; L633-I637 PolarHBondContact O-N 3.16Å; L633-I637 VanDerWaalsContact O-N 3.1Å; C634-I637 PolarHBondContact O-N 3.25Å; Y635-I637 VanDerWaalsContact C-N 3.33Å; Y635-I637 PolarHBondContact O-N 3.23Å; I637-A639 VanDerWaalsContact C-N 3.34Å; I637-A639 PolarHBondContact O-N 3.13Å; I637-G640 PolarHBondContact O-N 3.27Å; I637-I641 HydrophobicContact CG2-CD1 3.71Å; I637-I641 HydrophobicContact CG2-CG1 4.31Å; I637-I641 VanDerWaalsContact O-CG1 3.3Å; I637-I641 WeakPolarHBondContact O-CG1 3.18Å; I637-I641 PolarHBondContact O-N 3.39Å; I637-A677 HydrophobicContact CD1-CB 4.06Å; I637-A677 HydrophobicContact CG1-CB 3.52Å; I637-L678 HydrophobicContact CD1-CG 4.26Å; I637-M833 HydrophobicContact CD1-CE 4.29Å; I637-M833 HydrophobicContact CG2-CE 4.03Å; I637-F834 HydrophobicContact CB-CZ 4.22Å; I637-F834 HydrophobicContact CG2-CE2 3.7Å; I637-F834 HydrophobicContact CG2-CZ 3.85Å
638	L	93	Very high	89.1	Confident	3 Å²	3	26.4 Å²	26.4	2%	0.016	14%	0.135	C	C	.	.	H	α-helix	trans	-63.7	-38.2	178.5	-73.1	166.3	0	0	0	112.3	T610 V613 F617 C634 Y635 I641 F642 L830 F834	T610-L638 HydrophobicContact CG2-CD2 4.35Å; V613-L638 HydrophobicContact CG1-CD2 3.8Å; F617-L638 HydrophobicContact CG-CD1 4.46Å; C634-L638 WeakPolarHBondContact O-CG 3.39Å; C634-L638 PolarHBondContact O-N 2.68Å; Y635-L638 PolarHBondContact O-N 3.15Å; L638-I641 PolarHBondContact O-N 2.82Å; L638-F642 WeakPolarHBondContact O-CB 3.2Å; L638-F642 PolarHBondContact O-N 3.36Å; L638-L830 HydrophobicContact CD2-CD1 4.28Å; L638-F834 HydrophobicContact CD1-CD1 4.45Å; L638-F834 HydrophobicContact CD1-CE1 3.81Å; L638-F834 HydrophobicContact CD1-CZ 4.39Å; L638-F834 HydrophobicContact CD2-CD1 4.06Å; L638-F834 HydrophobicContact CD2-CE1 3.78Å; L638-F834 HydrophobicContact CD2-CE2 4.3Å; L638-F834 HydrophobicContact CD2-CG 4.44Å; L638-F834 HydrophobicContact CD2-CZ 3.91Å; L638-F834 HydrophobicContact CG-CD1 4.4Å; L638-F834 HydrophobicContact CG-CE1 3.67Å; L638-F834 HydrophobicContact CG-CZ 3.76Å
639	A	93.9	Very high	90.2	Very high	41 Å²	41	26.8 Å²	26.8	34%	0.339	13%	0.131	S	C	.	.	H	α-helix	trans	-64.9	-40.8	173.2	0	0	0	0	0	112.4	Y635 I637 F642 L643 M673	Y635-A639 WeakPolarHBondContact O-CB 3.12Å; Y635-A639 PolarHBondContact O-N 2.97Å; I637-A639 VanDerWaalsContact C-N 3.34Å; I637-A639 PolarHBondContact O-N 3.13Å; A639-F642 PolarHBondContact O-N 3.33Å; A639-L643 WeakPolarHBondContact O-CG 3.43Å; A639-L643 PolarHBondContact O-N 2.7Å; A639-M673 HydrophobicContact CB-CE 3.82Å
640	G	94.2	Very high	91.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.5	-40.6	174	0	0	0	0	0	113.1	I636 I637 G644	I636-G640 PolarHBondContact O-N 2.88Å; I637-G640 PolarHBondContact O-N 3.27Å; G640-G644 PolarHBondContact O-N 2.93Å
641	I	95.1	Very high	91.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.3	-45.5	174.6	-70.2	167.4	0	0	0	110.5	T610 I637 L638 G644 Y645 C674 V826 A829 L830 F834	T610-I641 HydrophobicContact CG2-CB 4.38Å; T610-I641 HydrophobicContact CG2-CG2 3.85Å; T610-I641 WeakPolarHBondContact OG1-CG2 3.36Å; I637-I641 HydrophobicContact CG2-CD1 3.71Å; I637-I641 HydrophobicContact CG2-CG1 4.31Å; I637-I641 VanDerWaalsContact O-CG1 3.3Å; I637-I641 WeakPolarHBondContact O-CG1 3.18Å; I637-I641 PolarHBondContact O-N 3.39Å; L638-I641 PolarHBondContact O-N 2.82Å; I641-G644 PolarHBondContact O-N 3.27Å; I641-G644 VanDerWaalsContact O-N 3.16Å; I641-Y645 HydrophobicContact CG2-CD2 3.94Å; I641-Y645 HydrophobicContact CG2-CE2 3.57Å; I641-Y645 VanDerWaalsContact O-CD2 3.29Å; I641-Y645 WeakPolarHBondContact O-CD2 3.25Å; I641-Y645 PolarHBondContact O-N 3.01Å; I641-Y645 VanDerWaalsContact O-N 3.11Å; I641-C674 PolarHBondContact N-SG 3.22Å; I641-V826 HydrophobicContact CB-CB 4.38Å; I641-V826 HydrophobicContact CG1-CB 4.2Å; I641-V826 HydrophobicContact CG2-CB 4.2Å; I641-A829 HydrophobicContact CD1-CB 4.1Å; I641-A829 HydrophobicContact CG1-CB 4.34Å; I641-L830 HydrophobicContact CD1-CB 4.17Å; I641-L830 HydrophobicContact CD1-CD1 4.42Å; I641-L830 HydrophobicContact CG2-CB 4.34Å; I641-L830 HydrophobicContact CG2-CD2 4.49Å; I641-F834 HydrophobicContact CD1-CE2 4.05Å
642	F	95.4	Very high	92.1	Very high	82 Å²	82	24.2 Å²	24.2	36%	0.36	12%	0.121	S	C	.	.	H	α-helix	trans	-60.4	-46.9	178	-176.9	-94.3	0	0	0	111.9	I607 T610 L638 A639 G644 Y645 I646	I607-F642 HydrophobicContact CG2-CE2 3.97Å; T610-F642 HydrophobicContact CG2-CB 4.09Å; L638-F642 WeakPolarHBondContact O-CB 3.2Å; L638-F642 PolarHBondContact O-N 3.36Å; A639-F642 PolarHBondContact O-N 3.33Å; F642-G644 VanDerWaalsContact C-N 3.31Å; F642-G644 PolarHBondContact O-N 2.87Å; F642-Y645 PolarHBondContact O-N 3.48Å; F642-I646 HydrophobicContact CD1-CD1 3.83Å; F642-I646 HydrophobicContact CE1-CD1 3.52Å; F642-I646 HydrophobicContact CZ-CD1 4.25Å; F642-I646 PolarHBondContact O-N 3.47Å
643	L	93.4	Very high	92.2	Very high	54 Å²	54	21.4 Å²	21.4	28%	0.283	11%	0.112	S	C	.	.	H	α-helix	trans	-62.9	-36.7	173.5	-71.5	168.5	0	0	0	112.2	A639 Y645 I646 C647 M673	A639-L643 WeakPolarHBondContact O-CG 3.43Å; A639-L643 PolarHBondContact O-N 2.7Å; L643-Y645 VanDerWaalsContact C-N 3.32Å; L643-Y645 PolarHBondContact O-N 2.77Å; L643-I646 WeakPolarHBondContact O-CA 3.31Å; L643-I646 WeakPolarHBondContact O-CB 3.45Å; L643-I646 PolarHBondContact O-N 3.47Å; L643-C647 PolarHBondContact O-N 2.77Å; L643-C647 PolarHBondContact O-SG 3.45Å; L643-M673 HydrophobicContact CD1-CE 4.15Å; L643-M673 HydrophobicContact CD1-SD 3.65Å
644	G	93.9	Very high	92.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.3	-36.2	177	0	0	0	0	0	113.8	G640 I641 F642 I646 P648	G640-G644 PolarHBondContact O-N 2.93Å; I641-G644 PolarHBondContact O-N 3.27Å; I641-G644 VanDerWaalsContact O-N 3.16Å; F642-G644 VanDerWaalsContact C-N 3.31Å; F642-G644 PolarHBondContact O-N 2.87Å; G644-I646 VanDerWaalsContact C-N 3.31Å; G644-P648 WeakPolarHBondContact O-CD 3.19Å
645	Y	95.7	Very high	92.4	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.016	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-7.6	171.7	-66.3	-63.5	0	0	0	114.1	F602 G606 T610 I641 F642 L643 F649 V826 T827 L830	F602-Y645 HydrophobicContact CE1-CE1 4.39Å; G606-Y645 VanDerWaalsContact CA-CZ 3.42Å; T610-Y645 WeakPolarHBondContact OG1-CE2 3.31Å; I641-Y645 HydrophobicContact CG2-CD2 3.94Å; I641-Y645 HydrophobicContact CG2-CE2 3.57Å; I641-Y645 VanDerWaalsContact O-CD2 3.29Å; I641-Y645 WeakPolarHBondContact O-CD2 3.25Å; I641-Y645 PolarHBondContact O-N 3.01Å; I641-Y645 VanDerWaalsContact O-N 3.11Å; F642-Y645 PolarHBondContact O-N 3.48Å; L643-Y645 VanDerWaalsContact C-N 3.32Å; L643-Y645 PolarHBondContact O-N 2.77Å; Y645-F649 WeakPolarHBondContact O-CD2 3.25Å; Y645-F649 WeakPolarHBondContact O-CE2 3.19Å; Y645-V826 HydrophobicContact CD1-CG2 3.96Å; Y645-V826 HydrophobicContact CD2-CG2 4.11Å; Y645-V826 HydrophobicContact CE1-CG2 3.79Å; Y645-V826 HydrophobicContact CE2-CG2 3.95Å; Y645-V826 HydrophobicContact CG-CG2 4.13Å; Y645-T827 WeakPolarHBondContact CE1-OG1 3.34Å; Y645-T827 VanDerWaalsContact OH-CA 3.24Å; Y645-T827 WeakPolarHBondContact OH-CA 3.16Å; Y645-T827 WeakPolarHBondContact OH-CB 3.49Å; Y645-T827 PolarHBondContact OH-OG1 2.69Å; Y645-L830 HydrophobicContact CE2-CD2 4.28Å
646	I	94	Very high	92.4	Very high	48 Å²	48	28.3 Å²	28.3	25%	0.246	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-27.9	170.2	-67.7	170.2	0	0	0	111	I607 F642 L643 G644 P648 F649 T650 L666	I607-I646 HydrophobicContact CD1-CG1 4.37Å; F642-I646 HydrophobicContact CD1-CD1 3.83Å; F642-I646 HydrophobicContact CE1-CD1 3.52Å; F642-I646 HydrophobicContact CZ-CD1 4.25Å; F642-I646 PolarHBondContact O-N 3.47Å; L643-I646 WeakPolarHBondContact O-CA 3.31Å; L643-I646 WeakPolarHBondContact O-CB 3.45Å; L643-I646 PolarHBondContact O-N 3.47Å; G644-I646 VanDerWaalsContact C-N 3.31Å; I646-P648 VanDerWaalsContact C-CD 3.49Å; I646-P648 VanDerWaalsContact C-N 3.35Å; I646-F649 PolarHBondContact O-N 3.02Å; I646-F649 VanDerWaalsContact O-N 3.11Å; I646-T650 HydrophobicContact CG2-CG2 4.48Å; I646-T650 PolarHBondContact O-N 3.07Å; I646-L666 HydrophobicContact CB-CD2 4.26Å; I646-L666 HydrophobicContact CG2-CD2 3.67Å
647	C	92.1	Very high	92.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-48.2	-46.5	178.7	-55.2	0	0	0	0	113.7	L643 F649 T650 L651 L666 V667 V822	L643-C647 PolarHBondContact O-N 2.77Å; L643-C647 PolarHBondContact O-SG 3.45Å; C647-F649 VanDerWaalsContact C-N 3.35Å; C647-F649 PolarHBondContact O-N 3.42Å; C647-T650 PolarHBondContact O-N 2.97Å; C647-T650 VanDerWaalsContact O-N 3.11Å; C647-T650 PolarHBondContact O-OG1 3.03Å; C647-L651 HydrophobicContact CB-CD1 4.41Å; C647-L651 WeakPolarHBondContact O-CB 3.42Å; C647-L651 WeakPolarHBondContact O-CG 3.17Å; C647-L651 PolarHBondContact O-N 3.18Å; C647-L666 PolarHBondContact SG-O 3Å; C647-V667 HydrophobicContact CB-CG2 4.35Å; C647-V822 HydrophobicContact CB-CG1 4.28Å
648	P	92.3	Very high	92.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-54.7	-42.7	178.2	-34	44.1	0	0	0	114.6	S603 G644 I646 T650 L651 I652 S819 S823	S603-P648 WeakPolarHBondContact OG-CB 3.5Å; S603-P648 VanDerWaalsContact OG-CG 3.25Å; S603-P648 WeakPolarHBondContact OG-CG 3.28Å; G644-P648 WeakPolarHBondContact O-CD 3.19Å; I646-P648 VanDerWaalsContact C-CD 3.49Å; I646-P648 VanDerWaalsContact C-N 3.35Å; P648-T650 VanDerWaalsContact C-N 3.33Å; P648-T650 PolarHBondContact O-N 3.33Å; P648-L651 PolarHBondContact O-N 2.93Å; P648-I652 WeakPolarHBondContact O-CB 3.24Å; P648-I652 WeakPolarHBondContact O-CG1 3.38Å; P648-I652 PolarHBondContact O-N 2.93Å; P648-S819 VanDerWaalsContact CB-OG 3.23Å; P648-S819 WeakPolarHBondContact CB-OG 3.41Å; P648-S819 WeakPolarHBondContact CG-OG 3.39Å; P648-S823 WeakPolarHBondContact CG-OG 3.49Å
649	F	91.8	Very high	92	Very high	57 Å²	57	34 Å²	34	25%	0.25	19%	0.19	C	C	.	.	H	α-helix	trans	-63.7	-40.4	177.7	-62.7	-92.4	0	0	0	111.5	W591 V600 I607 Y645 I646 C647 A653	W591-F649 HydrophobicContact CH2-CB 4.24Å; W591-F649 HydrophobicContact CH2-CD1 4.18Å; W591-F649 WeakPolarHBondContact CH2-O 3.1Å; W591-F649 HydrophobicContact CZ3-CD1 4.02Å; V600-F649 HydrophobicContact CG1-CE1 3.75Å; V600-F649 HydrophobicContact CG1-CZ 4.15Å; I607-F649 HydrophobicContact CD1-CE2 3.8Å; I607-F649 HydrophobicContact CD1-CZ 4.41Å; Y645-F649 WeakPolarHBondContact O-CD2 3.25Å; Y645-F649 WeakPolarHBondContact O-CE2 3.19Å; I646-F649 PolarHBondContact O-N 3.02Å; I646-F649 VanDerWaalsContact O-N 3.11Å; C647-F649 VanDerWaalsContact C-N 3.35Å; C647-F649 PolarHBondContact O-N 3.42Å; F649-A653 VanDerWaalsContact O-CB 3.26Å; F649-A653 WeakPolarHBondContact O-CB 3.31Å; F649-A653 PolarHBondContact O-N 2.81Å; F649-A653 VanDerWaalsContact O-N 3.12Å
650	T	90.5	Very high	91.8	Very high	18 Å²	18	32.1 Å²	32.1	11%	0.11	17%	0.174	C	C	.	.	H	α-helix	trans	-70.8	-32.5	176.7	60.5	0	0	0	0	112.7	I646 C647 P648 L662 Q663 L666	I646-T650 HydrophobicContact CG2-CG2 4.48Å; I646-T650 PolarHBondContact O-N 3.07Å; C647-T650 PolarHBondContact O-N 2.97Å; C647-T650 VanDerWaalsContact O-N 3.11Å; C647-T650 PolarHBondContact O-OG1 3.03Å; P648-T650 VanDerWaalsContact C-N 3.33Å; P648-T650 PolarHBondContact O-N 3.33Å; T650-L662 HydrophobicContact CG2-CB 3.99Å; T650-L662 HydrophobicContact CG2-CD1 4.41Å; T650-Q663 WeakPolarHBondContact O-CG 3.3Å; T650-Q663 PolarHBondContact O-NE2 3.2Å; T650-L666 HydrophobicContact CG2-CD2 4.07Å
651	L	89.2	Confident	91.7	Very high	13 Å²	13	36.5 Å²	36.5	7%	0.068	19%	0.191	C	C	.	.	H	α-helix	trans	-73.1	-40.8	179.3	-77.2	166.3	0	0	0	113	C647 P648 Q663 V667 I815 T818	C647-L651 HydrophobicContact CB-CD1 4.41Å; C647-L651 WeakPolarHBondContact O-CB 3.42Å; C647-L651 WeakPolarHBondContact O-CG 3.17Å; C647-L651 PolarHBondContact O-N 3.18Å; P648-L651 PolarHBondContact O-N 2.93Å; L651-Q663 HydrophobicContact CD2-CB 4.2Å; L651-Q663 HydrophobicContact CD2-CG 3.93Å; L651-Q663 HydrophobicContact CG-CG 4.3Å; L651-Q663 PolarHBondContact O-NE2 2.63Å; L651-V667 HydrophobicContact CD1-CG2 4.08Å; L651-V667 HydrophobicContact CD2-CG2 4.35Å; L651-V667 HydrophobicContact CG-CG2 4.44Å; L651-I815 HydrophobicContact CB-CG2 3.9Å; L651-I815 HydrophobicContact CD2-CG2 4.42Å; L651-I815 WeakPolarHBondContact O-CG2 3.43Å; L651-T818 HydrophobicContact CD1-CG2 3.92Å; L651-T818 HydrophobicContact CD2-CG2 4.45Å
652	I	91	Very high	91.4	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-83.7	-25.5	-177.9	-66	163.6	0	0	0	111.7	L589 W591 A599 V600 P648 R654	L589-I652 HydrophobicContact CD2-CB 4.49Å; L589-I652 HydrophobicContact CD2-CG1 4.04Å; L589-I652 HydrophobicContact CD2-CG2 4.43Å; W591-I652 HydrophobicContact CD2-CG2 3.96Å; W591-I652 HydrophobicContact CE3-CG2 3.8Å; W591-I652 HydrophobicContact CH2-CG2 4.5Å; W591-I652 HydrophobicContact CZ3-CB 4.35Å; W591-I652 HydrophobicContact CZ3-CG2 4.08Å; A599-I652 HydrophobicContact CB-CD1 3.95Å; V600-I652 HydrophobicContact CG2-CD1 3.81Å; P648-I652 WeakPolarHBondContact O-CB 3.24Å; P648-I652 WeakPolarHBondContact O-CG1 3.38Å; P648-I652 PolarHBondContact O-N 2.93Å; I652-R654 PolarHBondContact O-N 2.9Å
653	A	88.8	Confident	91.1	Very high	24 Å²	24	37.3 Å²	37.3	20%	0.198	20%	0.199	C	C	.	.	S	Bend	trans	-55.7	133	175.6	0	0	0	0	0	112.5	W591 F649	W591-A653 HydrophobicContact CH2-CB 4.49Å; W591-A653 HydrophobicContact CZ2-CB 3.83Å; F649-A653 VanDerWaalsContact O-CB 3.26Å; F649-A653 WeakPolarHBondContact O-CB 3.31Å; F649-A653 PolarHBondContact O-N 2.81Å; F649-A653 VanDerWaalsContact O-N 3.12Å
654	R	89.4	Confident	90.9	Very high	133 Å²	133	36 Å²	36	50%	0.502	19%	0.19	S	C	.	.			trans	-38.1	128.6	175.1	-177.8	176.4	175.7	-177	-0.4	111.1	Y588 I652 T656 S659	Y588-R654 HydrophobicContact CD2-CB 4.17Å; Y588-R654 HydrophobicContact CD2-CG 3.99Å; Y588-R654 HydrophobicContact CE1-CG 4.48Å; Y588-R654 HydrophobicContact CE2-CB 4.07Å; Y588-R654 HydrophobicContact CE2-CG 3.95Å; Y588-R654 HydrophobicContact CG-CG 4.33Å; I652-R654 PolarHBondContact O-N 2.9Å; R654-T656 PolarHBondContact O-N 3.19Å; R654-T656 VanDerWaalsContact O-N 3.15Å; R654-S659 PolarHBondContact O-OG 3.43Å
655	P	90.6	Very high	90.7	Very high	14 Å²	14	38.4 Å²	38.4	9%	0.091	20%	0.202	C	C	.	.			trans	-58.7	120	-178.9	-30.3	38.5	0	0	0	112.7	P735 L747	P655-P735 HydrophobicContact CB-CB 4.2Å; P655-L747 HydrophobicContact CB-CD2 4.27Å; P655-L747 HydrophobicContact CB-CG 4.14Å
656	T	90.6	Very high	90.5	Very high	64 Å²	64	39.2 Å²	39.2	39%	0.393	21%	0.207	S	C	.	.			trans	-142	162.6	175.6	62.1	0	0	0	0	107.2	R654 A658 S659 C660	R654-T656 PolarHBondContact O-N 3.19Å; R654-T656 VanDerWaalsContact O-N 3.15Å; T656-A658 PolarHBondContact O-N 3.22Å; T656-S659 PolarHBondContact N-OG 3.01Å; T656-S659 PolarHBondContact O-N 3.36Å; T656-S659 PolarHBondContact O-OG 2.98Å; T656-S659 PolarHBondContact OG1-N 2.78Å; T656-S659 VanDerWaalsContact OG1-N 3.15Å; T656-S659 PolarHBondContact OG1-OG 3.03Å; T656-C660 WeakPolarHBondContact O-CB 3.5Å; T656-C660 PolarHBondContact O-N 2.85Å; T656-C660 PolarHBondContact O-SG 3.1Å
657	V	90.2	Very high	90.2	Very high	82 Å²	82	37.3 Å²	37.3	50%	0.497	20%	0.197	S	C	.	.	H	α-helix	trans	-52.5	-44.9	176.3	-174.2	0	0	0	0	111	Y661 P735	V657-Y661 HydrophobicContact CG1-CD2 3.91Å; V657-Y661 HydrophobicContact CG1-CE2 3.82Å; V657-Y661 WeakPolarHBondContact O-CD2 3.42Å; V657-Y661 PolarHBondContact O-N 2.79Å; V657-Y661 VanDerWaalsContact O-N 3.14Å; V657-P735 HydrophobicContact CG2-CG 4.46Å
658	A	89.7	Confident	90.1	Very high	67 Å²	67	37.4 Å²	37.4	55%	0.554	20%	0.198	S	C	*	.	H	α-helix	trans	-63.7	-45.9	178.6	0	0	0	0	0	113.5	T656 L662	T656-A658 PolarHBondContact O-N 3.22Å; A658-L662 VanDerWaalsContact O-CG 3.31Å; A658-L662 WeakPolarHBondContact O-CG 3.16Å; A658-L662 PolarHBondContact O-N 3.13Å; A658-L662 VanDerWaalsContact O-N 3.17Å
659	S	89.9	Confident	90.1	Very high	10 Å²	10	38.8 Å²	38.8	7%	0.07	21%	0.206	C	C	.	.	H	α-helix	trans	-68.6	-42.5	179.2	50.3	0	0	0	0	112	R654 T656 Y661 L662 Q663	R654-S659 PolarHBondContact O-OG 3.43Å; T656-S659 PolarHBondContact N-OG 3.01Å; T656-S659 PolarHBondContact O-N 3.36Å; T656-S659 PolarHBondContact O-OG 2.98Å; T656-S659 PolarHBondContact OG1-N 2.78Å; T656-S659 VanDerWaalsContact OG1-N 3.15Å; T656-S659 PolarHBondContact OG1-OG 3.03Å; S659-Y661 PolarHBondContact O-N 3.13Å; S659-L662 PolarHBondContact O-N 3.49Å; S659-L662 VanDerWaalsContact O-N 3.15Å; S659-Q663 VanDerWaalsContact O-CG 3.27Å; S659-Q663 WeakPolarHBondContact O-CG 3.49Å; S659-Q663 PolarHBondContact O-N 2.88Å
660	C	90.5	Very high	90.1	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.007	19%	0.194	C	C	.	.	H	α-helix	trans	-62.2	-39.9	179.4	-62.4	0	0	0	0	113.1	T656 R664 P733 C749	T656-C660 WeakPolarHBondContact O-CB 3.5Å; T656-C660 PolarHBondContact O-N 2.85Å; T656-C660 PolarHBondContact O-SG 3.1Å; C660-R664 PolarHBondContact O-N 2.91Å; C660-P733 HydrophobicContact CB-CB 4.13Å; C660-P733 WeakPolarHBondContact CB-O 3.43Å; C660-C749 WeakPolarHBondContact CA-SG 3.32Å; C660-C749 HydrophobicContact CB-CB 3.65Å; C660-C749 WeakPolarHBondContact CB-SG 3.35Å; C660-C749 VanDerWaalsContact SG-CA 3.56Å; C660-C749 WeakPolarHBondContact SG-CB 3.42Å; C660-C749 CovalentContact SG-SG 2.03Å; C660-C749 PolarHBondContact SG-SG 3.22Å
661	Y	90.9	Very high	90.1	Very high	91 Å²	91	35.4 Å²	35.4	36%	0.357	19%	0.19	S	C	.	.	H	α-helix	trans	-65.3	-42.2	172.3	-87.9	-106.9	0	0	0	112.3	V657 S659 R664 L665 I728 P733	V657-Y661 HydrophobicContact CG1-CD2 3.91Å; V657-Y661 HydrophobicContact CG1-CE2 3.82Å; V657-Y661 WeakPolarHBondContact O-CD2 3.42Å; V657-Y661 PolarHBondContact O-N 2.79Å; V657-Y661 VanDerWaalsContact O-N 3.14Å; S659-Y661 PolarHBondContact O-N 3.13Å; Y661-R664 PolarHBondContact O-N 2.84Å; Y661-L665 PolarHBondContact O-N 2.93Å; Y661-I728 HydrophobicContact CD1-CG2 3.8Å; Y661-I728 HydrophobicContact CE1-CG2 3.43Å; Y661-I728 VanDerWaalsContact CE1-CG2 3.43Å; Y661-P733 HydrophobicContact CD1-CG 4.26Å; Y661-P733 HydrophobicContact CD2-CG 3.56Å; Y661-P733 HydrophobicContact CE1-CG 4.48Å; Y661-P733 HydrophobicContact CE2-CG 3.82Å; Y661-P733 HydrophobicContact CG-CG 3.81Å
662	L	90.3	Very high	90.4	Very high	82 Å²	82	34.8 Å²	34.8	43%	0.429	19%	0.187	S	C	.	.	H	α-helix	trans	-66.3	-42.5	179.1	-74.2	169.9	0	0	0	112.5	T650 A658 S659 R664 L665 L666	T650-L662 HydrophobicContact CG2-CB 3.99Å; T650-L662 HydrophobicContact CG2-CD1 4.41Å; A658-L662 VanDerWaalsContact O-CG 3.31Å; A658-L662 WeakPolarHBondContact O-CG 3.16Å; A658-L662 PolarHBondContact O-N 3.13Å; A658-L662 VanDerWaalsContact O-N 3.17Å; S659-L662 PolarHBondContact O-N 3.49Å; S659-L662 VanDerWaalsContact O-N 3.15Å; L662-R664 VanDerWaalsContact C-N 3.33Å; L662-R664 PolarHBondContact O-N 3.45Å; L662-L665 PolarHBondContact O-N 2.83Å; L662-L666 HydrophobicContact CB-CD1 4.45Å; L662-L666 HydrophobicContact CD2-CD1 3.95Å; L662-L666 WeakPolarHBondContact O-CB 3.33Å; L662-L666 WeakPolarHBondContact O-CD1 3.4Å; L662-L666 PolarHBondContact O-N 3.22Å
663	Q	89.1	Confident	90.5	Very high	17 Å²	17	36 Å²	36	8%	0.079	19%	0.193	C	C	.	.	H	α-helix	trans	-54	-50	175.3	-73.2	175.2	14.8	0	0	111.6	T650 L651 S659 L665 V667 C749	T650-Q663 WeakPolarHBondContact O-CG 3.3Å; T650-Q663 PolarHBondContact O-NE2 3.2Å; L651-Q663 HydrophobicContact CD2-CB 4.2Å; L651-Q663 HydrophobicContact CD2-CG 3.93Å; L651-Q663 HydrophobicContact CG-CG 4.3Å; L651-Q663 PolarHBondContact O-NE2 2.63Å; S659-Q663 VanDerWaalsContact O-CG 3.27Å; S659-Q663 WeakPolarHBondContact O-CG 3.49Å; S659-Q663 PolarHBondContact O-N 2.88Å; Q663-L665 VanDerWaalsContact C-N 3.27Å; Q663-L665 PolarHBondContact O-N 2.83Å; Q663-V667 WeakPolarHBondContact O-CG2 3.36Å; Q663-C749 PolarHBondContact OE1-SG 2.99Å
664	R	88.4	Confident	90.7	Very high	27 Å²	27	35 Å²	35	10%	0.102	18%	0.184	C	C	.	.	H	α-helix	trans	-68.6	-24.2	-175.4	-165.8	162.9	170.9	135.9	2.6	113.1	C660 Y661 L662 L727 I728 E731 P733	C660-R664 PolarHBondContact O-N 2.91Å; Y661-R664 PolarHBondContact O-N 2.84Å; L662-R664 VanDerWaalsContact C-N 3.33Å; L662-R664 PolarHBondContact O-N 3.45Å; R664-L727 PolarHBondContact NH2-O 3.01Å; R664-I728 HydrophobicContact CG-CD1 4.42Å; R664-I728 HydrophobicContact CG-CG1 4.06Å; R664-E731 IonicContact CZ-OE2 2.89Å; R664-E731 VanDerWaalsContact CZ-OE2 3.29Å; R664-E731 IonicContact NH1-OE2 2.72Å; R664-E731 PolarHBondContact NH1-OE2 3.09Å; R664-E731 IonicContact NH2-OE2 2.83Å; R664-E731 PolarHBondContact NH2-OE2 3.14Å; R664-P733 HydrophobicContact CB-CG 4.47Å
665	L	90.3	Very high	90.8	Very high	50 Å²	50	29 Å²	29	26%	0.262	16%	0.162	S	C	.	.	H	α-helix	trans	-88.5	-49.3	175.8	-175.5	67.3	0	0	0	113.2	Y661 L662 Q663 V667 L669 L721 E724	Y661-L665 PolarHBondContact O-N 2.93Å; L662-L665 PolarHBondContact O-N 2.83Å; Q663-L665 VanDerWaalsContact C-N 3.27Å; Q663-L665 PolarHBondContact O-N 2.83Å; L665-V667 PolarHBondContact O-N 3.21Å; L665-L669 HydrophobicContact CD1-CD2 4.42Å; L665-L669 HydrophobicContact CG-CD2 4.44Å; L665-L669 VanDerWaalsContact O-CB 3.24Å; L665-L669 WeakPolarHBondContact O-CB 3.36Å; L665-L669 PolarHBondContact O-N 2.82Å; L665-L721 HydrophobicContact CD1-CD1 4Å; L665-E724 HydrophobicContact CD1-CB 4.33Å
666	L	90.9	Very high	91	Very high	22 Å²	22	28.4 Å²	28.4	12%	0.115	16%	0.158	C	C	.	.	H	α-helix	trans	-70.4	-36.2	-167.7	-93.4	71	0	0	0	113.6	I646 C647 T650 L662 G668 S670	I646-L666 HydrophobicContact CB-CD2 4.26Å; I646-L666 HydrophobicContact CG2-CD2 3.67Å; C647-L666 PolarHBondContact SG-O 3Å; T650-L666 HydrophobicContact CG2-CD2 4.07Å; L662-L666 HydrophobicContact CB-CD1 4.45Å; L662-L666 HydrophobicContact CD2-CD1 3.95Å; L662-L666 WeakPolarHBondContact O-CB 3.33Å; L662-L666 WeakPolarHBondContact O-CD1 3.4Å; L662-L666 PolarHBondContact O-N 3.22Å; L666-G668 PolarHBondContact O-N 3.17Å; L666-S670 VanDerWaalsContact O-CB 3.28Å; L666-S670 WeakPolarHBondContact O-CB 3.34Å; L666-S670 PolarHBondContact O-N 3.21Å; L666-S670 VanDerWaalsContact O-N 3.1Å; L666-S670 PolarHBondContact O-OG 2.99Å
667	V	88.8	Confident	91	Very high	7 Å²	7	25.3 Å²	25.3	4%	0.042	14%	0.139	C	C	.	.	H	α-helix	trans	-61.7	-45.3	-174.7	169.1	0	0	0	0	112.3	C647 L651 Q663 L665 S670 S671 M756 L760 T818 V822	C647-V667 HydrophobicContact CB-CG2 4.35Å; L651-V667 HydrophobicContact CD1-CG2 4.08Å; L651-V667 HydrophobicContact CD2-CG2 4.35Å; L651-V667 HydrophobicContact CG-CG2 4.44Å; Q663-V667 WeakPolarHBondContact O-CG2 3.36Å; L665-V667 PolarHBondContact O-N 3.21Å; V667-S670 PolarHBondContact O-OG 3.21Å; V667-S671 PolarHBondContact O-OG 3.24Å; V667-M756 HydrophobicContact CG1-CE 4.24Å; V667-L760 HydrophobicContact CG1-CD2 4.37Å; V667-T818 HydrophobicContact CG1-CG2 3.96Å; V667-T818 HydrophobicContact CG2-CG2 4.08Å; V667-V822 HydrophobicContact CG1-CG2 4.1Å
668	G	88.8	Confident	91	Very high	2 Å²	2	21.5 Å²	21.5	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-79.9	-42.3	179.3	0	0	0	0	0	113.1	L666 A672 E724 N763	L666-G668 PolarHBondContact O-N 3.17Å; G668-A672 WeakPolarHBondContact O-CB 3.43Å; G668-A672 PolarHBondContact O-N 3.09Å; G668-E724 WeakPolarHBondContact CA-OE1 3.3Å; G668-N763 PolarHBondContact O-ND2 2.84Å
669	L	92.1	Very high	91	Very high	30 Å²	30	18.9 Å²	18.9	16%	0.157	9%	0.093	C	C	.	.	H	α-helix	trans	-66.8	-43.3	-174.6	-172.5	61.6	0	0	0	113.1	L665 S671 A672 M673 I717 L721 E724	L665-L669 HydrophobicContact CD1-CD2 4.42Å; L665-L669 HydrophobicContact CG-CD2 4.44Å; L665-L669 VanDerWaalsContact O-CB 3.24Å; L665-L669 WeakPolarHBondContact O-CB 3.36Å; L665-L669 PolarHBondContact O-N 2.82Å; L669-S671 PolarHBondContact O-N 3.37Å; L669-A672 PolarHBondContact O-N 3.32Å; L669-M673 HydrophobicContact CG-SD 4.42Å; L669-M673 WeakPolarHBondContact O-CG 3.21Å; L669-M673 PolarHBondContact O-N 3.22Å; L669-I717 HydrophobicContact CD1-CG2 4.01Å; L669-L721 HydrophobicContact CD1-CB 4.39Å; L669-L721 HydrophobicContact CD1-CD1 4.43Å; L669-L721 HydrophobicContact CD2-CD1 4.38Å; L669-E724 PolarHBondContact N-OE1 2.83Å
670	S	93.4	Very high	91	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.007	9%	0.09	C	C	.	.	H	α-helix	trans	-58.9	-46.5	178.6	54.7	0	0	0	0	112.2	L666 V667 C674	L666-S670 VanDerWaalsContact O-CB 3.28Å; L666-S670 WeakPolarHBondContact O-CB 3.34Å; L666-S670 PolarHBondContact O-N 3.21Å; L666-S670 VanDerWaalsContact O-N 3.1Å; L666-S670 PolarHBondContact O-OG 2.99Å; V667-S670 PolarHBondContact O-OG 3.21Å; S670-C674 PolarHBondContact O-N 3.08Å; S670-C674 PolarHBondContact O-SG 3.07Å
671	S	90.4	Very high	90.8	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.021	9%	0.091	C	C	.	.	H	α-helix	trans	-61.5	-46.7	173.7	-62	0	0	0	0	111.2	V667 L669 M673 C674 Y675 N763	V667-S671 PolarHBondContact O-OG 3.24Å; L669-S671 PolarHBondContact O-N 3.37Å; S671-M673 PolarHBondContact O-N 2.95Å; S671-C674 WeakPolarHBondContact O-CB 3.24Å; S671-C674 PolarHBondContact O-N 3.01Å; S671-Y675 WeakPolarHBondContact O-CD2 3.36Å; S671-Y675 PolarHBondContact O-N 3.2Å; S671-N763 WeakPolarHBondContact CB-OD1 3.33Å
672	A	93.6	Very high	90.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-66.5	-35.3	-177.3	0	0	0	0	0	112.5	G668 L669 S676 Q720 N763 L766	G668-A672 WeakPolarHBondContact O-CB 3.43Å; G668-A672 PolarHBondContact O-N 3.09Å; L669-A672 PolarHBondContact O-N 3.32Å; A672-S676 WeakPolarHBondContact O-CB 3.16Å; A672-S676 PolarHBondContact O-N 2.7Å; A672-S676 PolarHBondContact O-OG 2.77Å; A672-Q720 HydrophobicContact CB-CB 3.67Å; A672-Q720 HydrophobicContact CB-CG 3.54Å; A672-N763 VanDerWaalsContact CA-OD1 3.28Å; A672-N763 WeakPolarHBondContact CA-OD1 3.32Å; A672-N763 PolarHBondContact N-OD1 2.91Å; A672-L766 HydrophobicContact CB-CD1 4.18Å
673	M	93.5	Very high	90.2	Very high	30 Å²	30	12.4 Å²	12.4	15%	0.148	6%	0.063	C	C	.	.	H	α-helix	trans	-61	-46.5	171.7	-74	178.1	62.9	0	0	111.8	A639 L643 L669 S671 A677 I717	A639-M673 HydrophobicContact CB-CE 3.82Å; L643-M673 HydrophobicContact CD1-CE 4.15Å; L643-M673 HydrophobicContact CD1-SD 3.65Å; L669-M673 HydrophobicContact CG-SD 4.42Å; L669-M673 WeakPolarHBondContact O-CG 3.21Å; L669-M673 PolarHBondContact O-N 3.22Å; S671-M673 PolarHBondContact O-N 2.95Å; M673-A677 PolarHBondContact O-N 3.2Å; M673-I717 HydrophobicContact CB-CD1 4.41Å; M673-I717 HydrophobicContact CG-CD1 4Å; M673-I717 HydrophobicContact CG-CG1 4.18Å; M673-I717 HydrophobicContact CG-CG2 4.12Å
674	C	92.9	Very high	89.9	Confident	3 Å²	3	15.1 Å²	15.1	2%	0.02	7%	0.073	C	C	.	.	H	α-helix	trans	-60.1	-54.1	176.6	-65.3	0	0	0	0	111.5	I641 S670 S671 L678	I641-C674 PolarHBondContact N-SG 3.22Å; S670-C674 PolarHBondContact O-N 3.08Å; S670-C674 PolarHBondContact O-SG 3.07Å; S671-C674 WeakPolarHBondContact O-CB 3.24Å; S671-C674 PolarHBondContact O-N 3.01Å; C674-L678 WeakPolarHBondContact O-CB 3.44Å; C674-L678 WeakPolarHBondContact O-CG 3.28Å; C674-L678 PolarHBondContact O-N 3.39Å
675	Y	92.6	Very high	89.4	Confident	7 Å²	7	15.2 Å²	15.2	3%	0.027	8%	0.075	C	C	.	.	H	α-helix	trans	-74.6	-31	-173.6	-59.8	-56.7	0	0	0	113.5	S671 L678 V679 I767 C770 M794 T797 W801 S825	S671-Y675 WeakPolarHBondContact O-CD2 3.36Å; S671-Y675 PolarHBondContact O-N 3.2Å; Y675-L678 HydrophobicContact CD1-CD1 3.97Å; Y675-L678 HydrophobicContact CE1-CD1 4.42Å; Y675-L678 PolarHBondContact O-N 2.67Å; Y675-V679 WeakPolarHBondContact O-CB 3.46Å; Y675-V679 PolarHBondContact O-N 2.65Å; Y675-I767 HydrophobicContact CD1-CG1 3.93Å; Y675-I767 HydrophobicContact CD2-CD1 4.17Å; Y675-I767 HydrophobicContact CD2-CG1 3.78Å; Y675-I767 HydrophobicContact CE1-CD1 4.48Å; Y675-I767 HydrophobicContact CE1-CG1 3.78Å; Y675-I767 HydrophobicContact CE2-CD1 3.64Å; Y675-I767 HydrophobicContact CE2-CG1 3.61Å; Y675-I767 HydrophobicContact CG-CG1 3.94Å; Y675-C770 PolarHBondContact O-SG 2.92Å; Y675-M794 HydrophobicContact CD1-CE 4.26Å; Y675-M794 HydrophobicContact CE1-CE 4.22Å; Y675-T797 HydrophobicContact CE1-CG2 4.37Å; Y675-W801 AromaticContact CE2-NE1 3.88Å; Y675-W801 AromaticContact CZ-NE1 3.82Å; Y675-W801 PolarHBondContact OH-NE1 3.19Å; Y675-S825 PolarHBondContact OH-OG 3.49Å
676	S	93.6	Very high	88.7	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-66.8	-38.7	175.3	-65.1	0	0	0	0	112.7	A672 V679 T680 L716	A672-S676 WeakPolarHBondContact O-CB 3.16Å; A672-S676 PolarHBondContact O-N 2.7Å; A672-S676 PolarHBondContact O-OG 2.77Å; S676-V679 WeakPolarHBondContact O-CG1 3.43Å; S676-T680 WeakPolarHBondContact O-CB 3.45Å; S676-T680 PolarHBondContact O-N 2.67Å; S676-T680 PolarHBondContact O-OG1 3.13Å; S676-L716 WeakPolarHBondContact OG-CB 3.3Å
677	A	91.6	Very high	87.9	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-72.5	-38.1	173.4	0	0	0	0	0	111.8	L633 I636 I637 M673 T680 K681	L633-A677 HydrophobicContact CD2-CB 4.49Å; I636-A677 HydrophobicContact CB-CB 4.18Å; I636-A677 HydrophobicContact CG2-CB 3.86Å; I637-A677 HydrophobicContact CD1-CB 4.06Å; I637-A677 HydrophobicContact CG1-CB 3.52Å; M673-A677 PolarHBondContact O-N 3.2Å; A677-T680 PolarHBondContact O-N 3.24Å; A677-K681 WeakPolarHBondContact O-CB 3.36Å; A677-K681 PolarHBondContact O-N 2.64Å
678	L	89.8	Confident	87.2	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-61.9	-46.4	173	-90.3	167	0	0	0	113.6	I637 C674 Y675 T680 K681 T682 I790 M794 M833	I637-L678 HydrophobicContact CD1-CG 4.26Å; C674-L678 WeakPolarHBondContact O-CB 3.44Å; C674-L678 WeakPolarHBondContact O-CG 3.28Å; C674-L678 PolarHBondContact O-N 3.39Å; Y675-L678 HydrophobicContact CD1-CD1 3.97Å; Y675-L678 HydrophobicContact CE1-CD1 4.42Å; Y675-L678 PolarHBondContact O-N 2.67Å; L678-T680 VanDerWaalsContact C-N 3.32Å; L678-T680 PolarHBondContact O-N 3.37Å; L678-K681 PolarHBondContact O-N 3.18Å; L678-T682 WeakPolarHBondContact O-CG2 3.06Å; L678-T682 PolarHBondContact O-N 2.88Å; L678-T682 PolarHBondContact O-OG1 3.01Å; L678-I790 HydrophobicContact CD2-CG2 4.01Å; L678-M794 HydrophobicContact CD1-SD 4.13Å; L678-M833 HydrophobicContact CD1-CE 4.09Å; L678-M833 HydrophobicContact CD2-CE 3.68Å; L678-M833 HydrophobicContact CD2-SD 3.51Å; L678-M833 VanDerWaalsContact CD2-SD 3.51Å; L678-M833 HydrophobicContact CG-CE 4.05Å; L678-M833 HydrophobicContact CG-SD 4.49Å
679	V	90.3	Very high	86.2	Confident	12 Å²	12	20.9 Å²	20.9	7%	0.073	10%	0.101	C	C	.	.	H	α-helix	trans	-65.9	-39	178.7	81.9	0	0	0	0	110.2	Y675 S676 K681 T682 N683 L716 C770 Y773	Y675-V679 WeakPolarHBondContact O-CB 3.46Å; Y675-V679 PolarHBondContact O-N 2.65Å; S676-V679 WeakPolarHBondContact O-CG1 3.43Å; V679-K681 PolarHBondContact O-N 3.43Å; V679-T682 WeakPolarHBondContact CA-OG1 3.16Å; V679-T682 PolarHBondContact O-OG1 3.34Å; V679-T682 VanDerWaalsContact O-OG1 3.08Å; V679-N683 WeakPolarHBondContact O-CB 3.23Å; V679-N683 PolarHBondContact O-N 3.23Å; V679-L716 HydrophobicContact CG1-CD1 3.43Å; V679-L716 VanDerWaalsContact CG1-CD1 3.43Å; V679-C770 WeakPolarHBondContact CB-SG 3.38Å; V679-C770 PolarHBondContact N-SG 3.43Å; V679-C770 VanDerWaalsContact N-SG 3.41Å; V679-Y773 HydrophobicContact CG2-CD2 3.68Å; V679-Y773 HydrophobicContact CG2-CE2 3.85Å
680	T	89.2	Confident	84.9	Confident	3 Å²	3	22.4 Å²	22.4	2%	0.018	12%	0.117	C	C	.	.	H	α-helix	trans	-62.9	-43.1	175	-60.8	0	0	0	0	111.6	L633 S676 A677 L678 R684 Q709 I712	L633-T680 HydrophobicContact CD1-CG2 3.94Å; L633-T680 HydrophobicContact CD2-CG2 4.16Å; S676-T680 WeakPolarHBondContact O-CB 3.45Å; S676-T680 PolarHBondContact O-N 2.67Å; S676-T680 PolarHBondContact O-OG1 3.13Å; A677-T680 PolarHBondContact O-N 3.24Å; L678-T680 VanDerWaalsContact C-N 3.32Å; L678-T680 PolarHBondContact O-N 3.37Å; T680-R684 PolarHBondContact O-N 3.06Å; T680-Q709 HydrophobicContact CG2-CB 3.87Å; T680-Q709 HydrophobicContact CG2-CG 4.39Å; T680-Q709 WeakPolarHBondContact CG2-O 3.23Å; T680-I712 HydrophobicContact CG2-CB 4.34Å; T680-I712 HydrophobicContact CG2-CG2 4.25Å
681	K	85.9	Confident	83.3	Confident	7 Å²	7	23.8 Å²	23.8	3%	0.03	13%	0.132	C	C	.	.	H	α-helix	trans	-67.9	-45.5	179.4	-173.3	-177.2	176.1	-165	0	112.3	L633 A677 L678 V679 R684 I685 E786 I790	L633-K681 HydrophobicContact CD1-CB 3.98Å; A677-K681 WeakPolarHBondContact O-CB 3.36Å; A677-K681 PolarHBondContact O-N 2.64Å; L678-K681 PolarHBondContact O-N 3.18Å; V679-K681 PolarHBondContact O-N 3.43Å; K681-R684 WeakPolarHBondContact O-CB 3.44Å; K681-R684 PolarHBondContact O-N 2.91Å; K681-I685 WeakPolarHBondContact O-CG1 3.49Å; K681-I685 PolarHBondContact O-N 3.04Å; K681-E786 WeakPolarHBondContact CE-OE1 3.37Å; K681-E786 IonicContact NZ-OE1 3.06Å; K681-E786 PolarHBondContact NZ-OE1 2.73Å; K681-I790 HydrophobicContact CD-CD1 4.34Å
682	T	85.8	Confident	81.7	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.1	-40.1	175.2	50.5	0	0	0	0	111.9	L678 V679 R684 I685 A686 I790	L678-T682 WeakPolarHBondContact O-CG2 3.06Å; L678-T682 PolarHBondContact O-N 2.88Å; L678-T682 PolarHBondContact O-OG1 3.01Å; V679-T682 WeakPolarHBondContact CA-OG1 3.16Å; V679-T682 PolarHBondContact O-OG1 3.34Å; V679-T682 VanDerWaalsContact O-OG1 3.08Å; T682-R684 PolarHBondContact O-N 3.05Å; T682-I685 PolarHBondContact O-N 3.16Å; T682-I685 VanDerWaalsContact O-N 3.14Å; T682-A686 WeakPolarHBondContact O-CB 3.46Å; T682-A686 PolarHBondContact O-N 3.13Å; T682-I790 HydrophobicContact CG2-CG2 3.48Å; T682-I790 VanDerWaalsContact CG2-CG2 3.48Å
683	N	84.3	Confident	79.9	Confident	38 Å²	38	36.1 Å²	36.1	20%	0.203	20%	0.197	C	C	.	.	H	α-helix	trans	-64.6	-35.8	175.2	-172.4	-21.7	0	0	0	112	V679 R687 Y773	V679-N683 WeakPolarHBondContact O-CB 3.23Å; V679-N683 PolarHBondContact O-N 3.23Å; N683-R687 WeakPolarHBondContact O-CB 3.31Å; N683-R687 WeakPolarHBondContact O-CG 3.37Å; N683-R687 PolarHBondContact O-N 3.1Å; N683-R687 PolarHBondContact O-NE 3.47Å; N683-R687 VanDerWaalsContact OD1-CD 3.29Å; N683-R687 WeakPolarHBondContact OD1-CD 3.48Å; N683-R687 PolarHBondContact OD1-NE 2.86Å; N683-Y773 HydrophobicContact CB-CD2 4.28Å; N683-Y773 HydrophobicContact CB-CE2 4.27Å
684	R	81.8	Confident	77.9	Confident	74 Å²	74	42.2 Å²	42.2	28%	0.279	22%	0.223	S	C	.	.	H	α-helix	trans	-55.7	-52.1	167.7	-177.4	-163.7	174.1	-162.4	-13.3	110.7	S630 T680 K681 T682 R687 I688 M704	S630-R684 PolarHBondContact OG-NH1 2.77Å; T680-R684 PolarHBondContact O-N 3.06Å; K681-R684 WeakPolarHBondContact O-CB 3.44Å; K681-R684 PolarHBondContact O-N 2.91Å; T682-R684 PolarHBondContact O-N 3.05Å; R684-R687 PolarHBondContact O-N 3.01Å; R684-I688 HydrophobicContact CG-CD1 4.08Å; R684-I688 WeakPolarHBondContact O-CG1 3.3Å; R684-I688 PolarHBondContact O-N 2.68Å; R684-I688 VanDerWaalsContact O-N 3.1Å; R684-M704 HydrophobicContact CG-SD 4.09Å
685	I	78.7	Confident	75.5	Confident	30 Å²	30	52.5 Å²	52.5	15%	0.154	27%	0.267	C	S	.	.	H	α-helix	trans	-62.3	-49.8	-179.5	-60.7	165.8	0	0	0	110.5	K681 T682 R687 I688 L689 T777 I790	K681-I685 WeakPolarHBondContact O-CG1 3.49Å; K681-I685 PolarHBondContact O-N 3.04Å; T682-I685 PolarHBondContact O-N 3.16Å; T682-I685 VanDerWaalsContact O-N 3.14Å; I685-R687 VanDerWaalsContact C-N 3.29Å; I685-R687 PolarHBondContact O-N 3.05Å; I685-I688 WeakPolarHBondContact O-CB 3.41Å; I685-I688 PolarHBondContact O-N 3.37Å; I685-L689 HydrophobicContact CG2-CD1 3.74Å; I685-L689 WeakPolarHBondContact O-CD1 3.4Å; I685-L689 PolarHBondContact O-N 2.84Å; I685-T777 HydrophobicContact CB-CG2 4.02Å; I685-T777 HydrophobicContact CG2-CG2 3.63Å; I685-I790 HydrophobicContact CD1-CD1 4.13Å
686	A	74.6	Confident	73.4	Confident	12 Å²	12	58.6 Å²	58.6	10%	0.099	30%	0.299	C	S	.	.	H	α-helix	trans	-57.3	-39.5	179.8	0	0	0	0	0	112.9	T682 A690 Y773 T777	T682-A686 WeakPolarHBondContact O-CB 3.46Å; T682-A686 PolarHBondContact O-N 3.13Å; A686-A690 WeakPolarHBondContact O-CB 3.25Å; A686-A690 PolarHBondContact O-N 3.47Å; A686-Y773 HydrophobicContact CB-CD1 4.33Å; A686-T777 HydrophobicContact CB-CG2 3.78Å
687	R	75.4	Confident	71.2	Confident	71 Å²	71	63 Å²	63	27%	0.268	33%	0.329	S	S	.	.	H	α-helix	trans	-71.9	-29.8	175.6	-72.9	-177.4	-66.1	163.8	2	113.1	N683 R684 I685 G691 F703 M704	N683-R687 WeakPolarHBondContact O-CB 3.31Å; N683-R687 WeakPolarHBondContact O-CG 3.37Å; N683-R687 PolarHBondContact O-N 3.1Å; N683-R687 PolarHBondContact O-NE 3.47Å; N683-R687 VanDerWaalsContact OD1-CD 3.29Å; N683-R687 WeakPolarHBondContact OD1-CD 3.48Å; N683-R687 PolarHBondContact OD1-NE 2.86Å; R684-R687 PolarHBondContact O-N 3.01Å; I685-R687 VanDerWaalsContact C-N 3.29Å; I685-R687 PolarHBondContact O-N 3.05Å; R687-G691 PolarHBondContact O-N 2.9Å; R687-F703 PolarHBondContact NH2-O 3.19Å; R687-M704 HydrophobicContact CB-CE 3.41Å; R687-M704 VanDerWaalsContact CB-CE 3.41Å
688	I	72.5	Confident	69	Low	85 Å²	85	69.5 Å²	69.5	44%	0.436	37%	0.369	S	S	.	.	H	α-helix	trans	-66.3	-45.9	172	-69.3	165	0	0	0	110.5	R684 I685 G691 S692 M704	R684-I688 HydrophobicContact CG-CD1 4.08Å; R684-I688 WeakPolarHBondContact O-CG1 3.3Å; R684-I688 PolarHBondContact O-N 2.68Å; R684-I688 VanDerWaalsContact O-N 3.1Å; I685-I688 WeakPolarHBondContact O-CB 3.41Å; I685-I688 PolarHBondContact O-N 3.37Å; I688-G691 PolarHBondContact O-N 2.96Å; I688-S692 PolarHBondContact O-N 2.82Å; I688-M704 HydrophobicContact CG1-CE 3.82Å; I688-M704 HydrophobicContact CG1-SD 4.22Å
689	L	68.9	Low	67.1	Low	32 Å²	32	77.7 Å²	77.7	17%	0.168	40%	0.399	C	S	.	.	H	α-helix	trans	-64.4	-39.8	175	-82.4	91.2	0	0	0	113	I685 G691 S692 K693 V780	I685-L689 HydrophobicContact CG2-CD1 3.74Å; I685-L689 WeakPolarHBondContact O-CD1 3.4Å; I685-L689 PolarHBondContact O-N 2.84Å; L689-G691 PolarHBondContact O-N 2.66Å; L689-S692 PolarHBondContact O-N 3.36Å; L689-S692 PolarHBondContact O-OG 3.41Å; L689-K693 PolarHBondContact O-N 3.17Å; L689-V780 HydrophobicContact CD1-CG2 3.64Å; L689-V780 HydrophobicContact CD2-CG2 3.63Å; L689-V780 HydrophobicContact CG-CG2 4.15Å
690	A	63.5	Low	65.2	Low	61 Å²	61	86.2 Å²	86.2	50%	0.504	44%	0.435	S	S	.	.	H	α-helix	trans	-65.2	-28.1	176	0	0	0	0	0	112.3	A686	A686-A690 WeakPolarHBondContact O-CB 3.25Å; A686-A690 PolarHBondContact O-N 3.47Å
691	G	59.8	Low	63.7	Low	31 Å²	31	90 Å²	90	32%	0.32	46%	0.46	S	S	.	.	H	α-helix	trans	-71.3	-51.1	170.9	0	0	0	0	0	112.8	R687 I688 L689 K693 K694	R687-G691 PolarHBondContact O-N 2.9Å; I688-G691 PolarHBondContact O-N 2.96Å; L689-G691 PolarHBondContact O-N 2.66Å; G691-K693 VanDerWaalsContact C-N 3.27Å; G691-K693 PolarHBondContact O-N 2.9Å; G691-K694 PolarHBondContact O-N 3.2Å; G691-K694 VanDerWaalsContact O-N 3.15Å
692	S	56.9	Low	62.3	Low	94 Å²	94	98 Å²	98	66%	0.657	49%	0.49	S	S	*	.	H	α-helix	trans	-66	-25.1	-175.1	66.2	0	0	0	0	114.1	I688 L689 K694	I688-S692 PolarHBondContact O-N 2.82Å; L689-S692 PolarHBondContact O-N 3.36Å; L689-S692 PolarHBondContact O-OG 3.41Å; S692-K694 VanDerWaalsContact C-N 3.29Å; S692-K694 PolarHBondContact O-N 2.91Å
693	K	57	Low	60.9	Low	167 Å²	167	104.3 Å²	104.3	73%	0.726	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-6.5	175.8	-71.3	-171	176.3	-170.9	0	114.9	L689 G691	L689-K693 PolarHBondContact O-N 3.17Å; G691-K693 VanDerWaalsContact C-N 3.27Å; G691-K693 PolarHBondContact O-N 2.9Å
694	K	51.8	Low	59.8	Low	158 Å²	158	104.7 Å²	104.7	69%	0.687	52%	0.519	S	S	*	.	S	Bend	trans	-99.3	109.3	173.5	-67.4	-167.8	176.3	-168.4	0	110.1	G691 S692 I696	G691-K694 PolarHBondContact O-N 3.2Å; G691-K694 VanDerWaalsContact O-N 3.15Å; S692-K694 VanDerWaalsContact C-N 3.29Å; S692-K694 PolarHBondContact O-N 2.91Å; K694-I696 PolarHBondContact O-N 2.85Å
695	K	42.8	Very low	59.3	Low	219 Å²	219	104.6 Å²	104.6	95%	0.952	53%	0.53	S	S	*	.	S	Bend	trans	-57.5	-13.6	-173.4	-87.8	-170.9	173	-176.4	0	116.2
696	I	46.8	Very low	59	Low	136 Å²	136	105.7 Å²	105.7	70%	0.697	54%	0.543	S	S	*	.			trans	-132.4	124.2	173.9	-64.2	179.4	0	0	0	108.2	K694 T698	K694-I696 PolarHBondContact O-N 2.85Å; I696-T698 HydrophobicContact CG2-CG2 3.76Å
697	C	47.8	Very low	59.2	Low	93 Å²	93	114.8 Å²	114.8	63%	0.628	58%	0.575	S	S	*	*			trans	-115.2	64.9	-172.9	-151.1	0	0	0	0	112.1	R699	C697-R699 PolarHBondContact O-N 3.41Å; C697-R699 VanDerWaalsContact O-N 3.08Å
698	T	46.5	Very low	59.5	Low	136 Å²	136	112.3 Å²	112.3	83%	0.834	57%	0.569	S	S	*	*			trans	-70.2	3.3	-174.2	38.2	0	0	0	0	116	I696	I696-T698 HydrophobicContact CG2-CG2 3.76Å
699	R	49.3	Very low	60	Low	172 Å²	172	108.5 Å²	108.5	65%	0.649	55%	0.55	S	S	*	.	S	Bend	trans	-151	122.6	-178.7	-179.9	164.1	164.4	162.8	-10.5	111.5	C697	C697-R699 PolarHBondContact O-N 3.41Å; C697-R699 VanDerWaalsContact O-N 3.08Å
700	K	50.7	Low	60.8	Low	191 Å²	191	108.9 Å²	108.9	83%	0.83	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-52.7	128.3	173.8	-72.4	-178.4	178	176.3	0	110.2	R702	K700-R702 PolarHBondContact O-N 2.81Å
701	P	56	Low	62	Low	82 Å²	82	110.8 Å²	110.8	53%	0.532	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-64.5	118.9	176	24.7	-32.7	0	0	0	110.4	M704	P701-M704 HydrophobicContact CB-CG 4.09Å; P701-M704 HydrophobicContact CG-CG 3.95Å
702	R	56.5	Low	63.3	Low	176 Å²	176	111.8 Å²	111.8	66%	0.664	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	155.5	174.2	-66.3	-175.9	178.4	175.6	-3.5	110	K700	K700-R702 PolarHBondContact O-N 2.81Å
703	F	57.4	Low	64.9	Low	133 Å²	133	107.3 Å²	107.3	58%	0.583	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	35.1	-179.1	-45.3	-79.5	0	0	0	115.7	R687 A708 I712	R687-F703 PolarHBondContact NH2-O 3.19Å; F703-A708 HydrophobicContact CB-CB 4.48Å; F703-I712 HydrophobicContact CB-CD1 4.33Å
704	M	60.6	Low	66.5	Low	46 Å²	46	105.9 Å²	105.9	23%	0.227	51%	0.514	C	S	.	.			trans	-101.1	-12	172.1	-79.4	-66.5	176.7	0	0	114.9	R684 R687 I688 P701 Q709	R684-M704 HydrophobicContact CG-SD 4.09Å; R687-M704 HydrophobicContact CB-CE 3.41Å; R687-M704 VanDerWaalsContact CB-CE 3.41Å; I688-M704 HydrophobicContact CG1-CE 3.82Å; I688-M704 HydrophobicContact CG1-SD 4.22Å; P701-M704 HydrophobicContact CB-CG 4.09Å; P701-M704 HydrophobicContact CG-CG 3.95Å; M704-Q709 PolarHBondContact O-NE2 3.5Å
705	S	72.8	Confident	68.4	Low	72 Å²	72	103.8 Å²	103.8	50%	0.503	51%	0.508	S	S	.	.	S	Bend	trans	-61.9	149.6	174.9	-177.9	0	0	0	0	111.7	W707 A708 Q709	S705-W707 PolarHBondContact O-N 2.87Å; S705-A708 PolarHBondContact O-N 3.02Å; S705-A708 VanDerWaalsContact O-N 3.16Å; S705-Q709 WeakPolarHBondContact O-CG 3.49Å; S705-Q709 PolarHBondContact O-N 3.26Å; S705-Q709 VanDerWaalsContact O-N 3.16Å; S705-Q709 PolarHBondContact O-NE2 3.12Å
706	A	71.4	Confident	70.8	Confident	52 Å²	52	95.6 Å²	95.6	43%	0.43	47%	0.474	S	S	.	.	H	α-helix	trans	-58.7	-45.5	176.5	0	0	0	0	0	111.8	A708 Q709 V710	A706-A708 VanDerWaalsContact C-N 3.29Å; A706-A708 PolarHBondContact O-N 3.31Å; A706-Q709 WeakPolarHBondContact O-CA 3.28Å; A706-Q709 WeakPolarHBondContact O-CB 3.25Å; A706-Q709 PolarHBondContact O-N 3.11Å; A706-V710 PolarHBondContact O-N 3.43Å
707	W	79.1	Confident	73.1	Confident	203 Å²	203	90 Å²	90	77%	0.769	45%	0.446	S	S	*	.	H	α-helix	trans	-56.7	-40	174	-79.4	95	0	0	0	113	S705 Q709 V710 I711	S705-W707 PolarHBondContact O-N 2.87Å; W707-Q709 VanDerWaalsContact C-N 3.26Å; W707-Q709 PolarHBondContact O-N 3.48Å; W707-V710 PolarHBondContact O-N 3.1Å; W707-I711 VanDerWaalsContact O-CG1 3.31Å; W707-I711 WeakPolarHBondContact O-CG1 3.38Å; W707-I711 PolarHBondContact O-N 3.05Å
708	A	80.6	Confident	75.3	Confident	19 Å²	19	87 Å²	87	16%	0.157	43%	0.426	C	S	.	.	H	α-helix	trans	-69	-24	176.8	0	0	0	0	0	112.8	F703 S705 A706 I712	F703-A708 HydrophobicContact CB-CB 4.48Å; S705-A708 PolarHBondContact O-N 3.02Å; S705-A708 VanDerWaalsContact O-N 3.16Å; A706-A708 VanDerWaalsContact C-N 3.29Å; A706-A708 PolarHBondContact O-N 3.31Å; A708-I712 VanDerWaalsContact O-CD1 3.3Å; A708-I712 WeakPolarHBondContact O-CD1 3.48Å; A708-I712 WeakPolarHBondContact O-CG1 3.47Å; A708-I712 PolarHBondContact O-N 3.07Å
709	Q	82.8	Confident	77.6	Confident	5 Å²	5	84 Å²	84	2%	0.023	41%	0.407	C	S	.	.	H	α-helix	trans	-76.1	-44.7	172.9	-64.2	163.3	42.5	0	0	110.7	S630 L633 T680 M704 S705 A706 W707 I711 I712 A713	S630-Q709 PolarHBondContact OG-OE1 3.09Å; L633-Q709 HydrophobicContact CD1-CB 4.2Å; L633-Q709 HydrophobicContact CD2-CB 4.37Å; L633-Q709 HydrophobicContact CG-CB 4.47Å; T680-Q709 HydrophobicContact CG2-CB 3.87Å; T680-Q709 HydrophobicContact CG2-CG 4.39Å; T680-Q709 WeakPolarHBondContact CG2-O 3.23Å; M704-Q709 PolarHBondContact O-NE2 3.5Å; S705-Q709 WeakPolarHBondContact O-CG 3.49Å; S705-Q709 PolarHBondContact O-N 3.26Å; S705-Q709 VanDerWaalsContact O-N 3.16Å; S705-Q709 PolarHBondContact O-NE2 3.12Å; A706-Q709 WeakPolarHBondContact O-CA 3.28Å; A706-Q709 WeakPolarHBondContact O-CB 3.25Å; A706-Q709 PolarHBondContact O-N 3.11Å; W707-Q709 VanDerWaalsContact C-N 3.26Å; W707-Q709 PolarHBondContact O-N 3.48Å; Q709-I711 VanDerWaalsContact C-N 3.33Å; Q709-I711 PolarHBondContact O-N 3.33Å; Q709-I712 PolarHBondContact O-N 2.87Å; Q709-A713 PolarHBondContact O-N 3.2Å
710	V	86.6	Confident	79.8	Confident	41 Å²	41	75.8 Å²	75.8	25%	0.248	38%	0.376	C	S	.	.	H	α-helix	trans	-58.5	-45.1	176	177	0	0	0	0	111	E632 A706 W707 I712 A713 F714	E632-V710 HydrophobicContact CB-CG2 3.49Å; E632-V710 VanDerWaalsContact CB-CG2 3.49Å; E632-V710 HydrophobicContact CG-CG2 3.96Å; A706-V710 PolarHBondContact O-N 3.43Å; W707-V710 PolarHBondContact O-N 3.1Å; V710-I712 PolarHBondContact O-N 3Å; V710-A713 PolarHBondContact O-N 3.36Å; V710-F714 WeakPolarHBondContact O-CB 3.26Å; V710-F714 PolarHBondContact O-N 3.49Å
711	I	88.7	Confident	81.8	Confident	101 Å²	101	69.7 Å²	69.7	52%	0.518	35%	0.353	S	S	.	.	H	α-helix	trans	-60.4	-43.5	176.6	-66.9	164	0	0	0	111.5	W707 Q709 F714 M715	W707-I711 VanDerWaalsContact O-CG1 3.31Å; W707-I711 WeakPolarHBondContact O-CG1 3.38Å; W707-I711 PolarHBondContact O-N 3.05Å; Q709-I711 VanDerWaalsContact C-N 3.33Å; Q709-I711 PolarHBondContact O-N 3.33Å; I711-F714 PolarHBondContact O-N 3.03Å; I711-M715 HydrophobicContact CG2-CG 4.44Å; I711-M715 VanDerWaalsContact O-CG 3.3Å; I711-M715 WeakPolarHBondContact O-CG 3.47Å; I711-M715 PolarHBondContact O-N 3.35Å
712	I	87.9	Confident	83.6	Confident	51 Å²	51	70 Å²	70	26%	0.262	35%	0.353	S	S	.	.	H	α-helix	trans	-64.3	-42.8	178	-70	166.1	0	0	0	111.3	T680 F703 A708 Q709 V710 M715 L716	T680-I712 HydrophobicContact CG2-CB 4.34Å; T680-I712 HydrophobicContact CG2-CG2 4.25Å; F703-I712 HydrophobicContact CB-CD1 4.33Å; A708-I712 VanDerWaalsContact O-CD1 3.3Å; A708-I712 WeakPolarHBondContact O-CD1 3.48Å; A708-I712 WeakPolarHBondContact O-CG1 3.47Å; A708-I712 PolarHBondContact O-N 3.07Å; Q709-I712 PolarHBondContact O-N 2.87Å; V710-I712 PolarHBondContact O-N 3Å; I712-M715 PolarHBondContact O-N 3.26Å; I712-L716 HydrophobicContact CG2-CD1 4.47Å; I712-L716 WeakPolarHBondContact O-CG 3.38Å; I712-L716 PolarHBondContact O-N 3.13Å
713	A	90	Very high	85.4	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-64.3	-43.4	176.9	0	0	0	0	0	111.7	L633 Q709 V710 L716 I717	L633-A713 HydrophobicContact CD2-CB 3.96Å; Q709-A713 PolarHBondContact O-N 3.2Å; V710-A713 PolarHBondContact O-N 3.36Å; A713-L716 PolarHBondContact O-N 3.43Å; A713-I717 WeakPolarHBondContact O-CD1 3.27Å; A713-I717 VanDerWaalsContact O-CG1 3.31Å; A713-I717 WeakPolarHBondContact O-CG1 3.47Å; A713-I717 PolarHBondContact O-N 2.72Å
714	F	90.7	Very high	87	Confident	138 Å²	138	58 Å²	58	61%	0.605	31%	0.308	S	S	*	.	H	α-helix	trans	-65.1	-39.6	178.1	-170.2	-94.3	0	0	0	112.6	V710 I711 L716 I717 S718	V710-F714 WeakPolarHBondContact O-CB 3.26Å; V710-F714 PolarHBondContact O-N 3.49Å; I711-F714 PolarHBondContact O-N 3.03Å; F714-L716 VanDerWaalsContact C-N 3.32Å; F714-L716 PolarHBondContact O-N 2.84Å; F714-I717 PolarHBondContact O-N 3.41Å; F714-S718 WeakPolarHBondContact O-CB 3.47Å; F714-S718 PolarHBondContact O-N 2.92Å
715	M	92.1	Very high	88.5	Confident	114 Å²	114	59.8 Å²	59.8	56%	0.562	32%	0.317	S	S	*	.	H	α-helix	trans	-59.3	-42.3	174.1	-73.9	-58.7	-53.7	0	0	111.8	I711 I712 S718 V719	I711-M715 HydrophobicContact CG2-CG 4.44Å; I711-M715 VanDerWaalsContact O-CG 3.3Å; I711-M715 WeakPolarHBondContact O-CG 3.47Å; I711-M715 PolarHBondContact O-N 3.35Å; I712-M715 PolarHBondContact O-N 3.26Å; M715-S718 PolarHBondContact O-N 3.14Å; M715-S718 PolarHBondContact O-OG 3.13Å; M715-V719 PolarHBondContact O-N 2.72Å
716	L	93.1	Very high	89.5	Confident	46 Å²	46	59.5 Å²	59.5	24%	0.241	31%	0.312	C	S	.	.	H	α-helix	trans	-67.6	-41.2	177.2	-66.7	169.2	0	0	0	112.2	S676 V679 I712 A713 F714 S718 V719 Q720 Y762	S676-L716 WeakPolarHBondContact OG-CB 3.3Å; V679-L716 HydrophobicContact CG1-CD1 3.43Å; V679-L716 VanDerWaalsContact CG1-CD1 3.43Å; I712-L716 HydrophobicContact CG2-CD1 4.47Å; I712-L716 WeakPolarHBondContact O-CG 3.38Å; I712-L716 PolarHBondContact O-N 3.13Å; A713-L716 PolarHBondContact O-N 3.43Å; F714-L716 VanDerWaalsContact C-N 3.32Å; F714-L716 PolarHBondContact O-N 2.84Å; L716-S718 VanDerWaalsContact C-N 3.3Å; L716-S718 PolarHBondContact O-N 3.34Å; L716-V719 PolarHBondContact O-N 2.95Å; L716-Q720 PolarHBondContact O-N 2.84Å; L716-Y762 PolarHBondContact O-OH 2.88Å
717	I	95.1	Very high	90.4	Very high	19 Å²	19	58 Å²	58	10%	0.097	30%	0.297	C	S	.	.	H	α-helix	trans	-61	-39.9	173.3	-65	161.4	0	0	0	110.8	I636 L669 M673 A713 F714 V719 Q720 L721	I636-I717 HydrophobicContact CG2-CD1 4Å; L669-I717 HydrophobicContact CD1-CG2 4.01Å; M673-I717 HydrophobicContact CB-CD1 4.41Å; M673-I717 HydrophobicContact CG-CD1 4Å; M673-I717 HydrophobicContact CG-CG1 4.18Å; M673-I717 HydrophobicContact CG-CG2 4.12Å; A713-I717 WeakPolarHBondContact O-CD1 3.27Å; A713-I717 VanDerWaalsContact O-CG1 3.31Å; A713-I717 WeakPolarHBondContact O-CG1 3.47Å; A713-I717 PolarHBondContact O-N 2.72Å; F714-I717 PolarHBondContact O-N 3.41Å; I717-V719 VanDerWaalsContact C-N 3.28Å; I717-V719 PolarHBondContact O-N 2.77Å; I717-Q720 PolarHBondContact O-N 3.46Å; I717-L721 PolarHBondContact O-N 2.74Å
718	S	93.6	Very high	91	Very high	31 Å²	31	49.4 Å²	49.4	22%	0.217	27%	0.266	C	S	.	.	H	α-helix	trans	-66.1	-27.5	179.6	74.7	0	0	0	0	113.6	F714 M715 L716 T722	F714-S718 WeakPolarHBondContact O-CB 3.47Å; F714-S718 PolarHBondContact O-N 2.92Å; M715-S718 PolarHBondContact O-N 3.14Å; M715-S718 PolarHBondContact O-OG 3.13Å; L716-S718 VanDerWaalsContact C-N 3.3Å; L716-S718 PolarHBondContact O-N 3.34Å; S718-T722 VanDerWaalsContact O-CB 3.31Å; S718-T722 WeakPolarHBondContact O-CB 3.4Å; S718-T722 PolarHBondContact O-N 2.92Å; S718-T722 PolarHBondContact O-OG1 2.71Å
719	V	94.8	Very high	91.4	Very high	71 Å²	71	54.8 Å²	54.8	43%	0.43	29%	0.291	S	S	.	.	H	α-helix	trans	-66.9	-44.9	172.6	173.6	0	0	0	0	110.5	M715 L716 I717 T722 L723 Y762	M715-V719 PolarHBondContact O-N 2.72Å; L716-V719 PolarHBondContact O-N 2.95Å; I717-V719 VanDerWaalsContact C-N 3.28Å; I717-V719 PolarHBondContact O-N 2.77Å; V719-T722 PolarHBondContact O-N 2.71Å; V719-L723 WeakPolarHBondContact O-CB 3.35Å; V719-L723 PolarHBondContact O-N 2.88Å; V719-Y762 HydrophobicContact CB-CE2 4.26Å; V719-Y762 HydrophobicContact CG1-CD2 4.18Å; V719-Y762 HydrophobicContact CG1-CE2 3.54Å
720	Q	94.6	Very high	91.8	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.2	-50.3	175	-179.4	71.1	2.6	0	0	111.1	A672 L716 I717 T722 L723 E724 P759 Y762 N763	A672-Q720 HydrophobicContact CB-CB 3.67Å; A672-Q720 HydrophobicContact CB-CG 3.54Å; L716-Q720 PolarHBondContact O-N 2.84Å; I717-Q720 PolarHBondContact O-N 3.46Å; Q720-T722 VanDerWaalsContact C-N 3.27Å; Q720-T722 PolarHBondContact O-N 2.96Å; Q720-L723 WeakPolarHBondContact O-CB 3.3Å; Q720-L723 PolarHBondContact O-N 2.89Å; Q720-L723 VanDerWaalsContact O-N 3.08Å; Q720-E724 HydrophobicContact CG-CG 4.34Å; Q720-E724 VanDerWaalsContact CG-OE1 3.31Å; Q720-E724 WeakPolarHBondContact CG-OE1 3.43Å; Q720-E724 PolarHBondContact NE2-OE1 2.91Å; Q720-E724 WeakPolarHBondContact O-CG 3.47Å; Q720-E724 PolarHBondContact O-N 3.22Å; Q720-P759 PolarHBondContact NE2-O 3.47Å; Q720-P759 VanDerWaalsContact NE2-O 3.17Å; Q720-Y762 HydrophobicContact CB-CD1 4.01Å; Q720-Y762 HydrophobicContact CB-CE1 4.06Å; Q720-N763 PolarHBondContact NE2-ND2 3.46Å
721	L	94.1	Very high	91.9	Very high	64 Å²	64	61.1 Å²	61.1	34%	0.335	32%	0.321	S	S	.	.	H	α-helix	trans	-61.3	-36.6	-178	-176.5	62.9	0	0	0	111.9	L665 L669 I717 I725	L665-L721 HydrophobicContact CD1-CD1 4Å; L669-L721 HydrophobicContact CD1-CB 4.39Å; L669-L721 HydrophobicContact CD1-CD1 4.43Å; L669-L721 HydrophobicContact CD2-CD1 4.38Å; I717-L721 PolarHBondContact O-N 2.74Å; L721-I725 HydrophobicContact CD1-CD1 4.01Å; L721-I725 HydrophobicContact CD1-CG1 4.36Å; L721-I725 HydrophobicContact CG-CD1 3.9Å; L721-I725 WeakPolarHBondContact O-CB 3.37Å; L721-I725 VanDerWaalsContact O-CG1 3.24Å; L721-I725 WeakPolarHBondContact O-CG1 3.46Å; L721-I725 PolarHBondContact O-N 3.21Å
722	T	93.8	Very high	91.9	Very high	89 Å²	89	58.9 Å²	58.9	55%	0.546	31%	0.313	S	S	.	.	H	α-helix	trans	-67.4	-40.6	175.1	-57.1	0	0	0	0	111.8	S718 V719 Q720 T726	S718-T722 VanDerWaalsContact O-CB 3.31Å; S718-T722 WeakPolarHBondContact O-CB 3.4Å; S718-T722 PolarHBondContact O-N 2.92Å; S718-T722 PolarHBondContact O-OG1 2.71Å; V719-T722 PolarHBondContact O-N 2.71Å; Q720-T722 VanDerWaalsContact C-N 3.27Å; Q720-T722 PolarHBondContact O-N 2.96Å; T722-T726 WeakPolarHBondContact O-CB 3.43Å; T722-T726 PolarHBondContact O-N 3.09Å; T722-T726 PolarHBondContact O-OG1 2.78Å
723	L	93.4	Very high	91.8	Very high	53 Å²	53	56.5 Å²	56.5	28%	0.277	30%	0.301	S	S	.	.	H	α-helix	trans	-62.2	-47.7	175.5	176.4	62.8	0	0	0	111.3	V719 Q720 T726 L727	V719-L723 WeakPolarHBondContact O-CB 3.35Å; V719-L723 PolarHBondContact O-N 2.88Å; Q720-L723 WeakPolarHBondContact O-CB 3.3Å; Q720-L723 PolarHBondContact O-N 2.89Å; Q720-L723 VanDerWaalsContact O-N 3.08Å; L723-T726 PolarHBondContact O-N 3.46Å; L723-L727 HydrophobicContact CD1-CD1 3.81Å; L723-L727 HydrophobicContact CD1-CG 4.25Å; L723-L727 HydrophobicContact CG-CD1 3.92Å; L723-L727 WeakPolarHBondContact O-CB 3.38Å; L723-L727 VanDerWaalsContact O-CG 3.3Å; L723-L727 WeakPolarHBondContact O-CG 3.48Å; L723-L727 PolarHBondContact O-N 3.29Å
724	E	92.1	Very high	91.7	Very high	3 Å²	3	61.5 Å²	61.5	1%	0.014	33%	0.325	C	S	.	.	H	α-helix	trans	-62.5	-48.1	178.9	-72.3	165.8	169.7	0	0	112.1	L665 G668 L669 Q720 T726 L727 I728 P759	L665-E724 HydrophobicContact CD1-CB 4.33Å; G668-E724 WeakPolarHBondContact CA-OE1 3.3Å; L669-E724 PolarHBondContact N-OE1 2.83Å; Q720-E724 HydrophobicContact CG-CG 4.34Å; Q720-E724 VanDerWaalsContact CG-OE1 3.31Å; Q720-E724 WeakPolarHBondContact CG-OE1 3.43Å; Q720-E724 PolarHBondContact NE2-OE1 2.91Å; Q720-E724 WeakPolarHBondContact O-CG 3.47Å; Q720-E724 PolarHBondContact O-N 3.22Å; E724-T726 VanDerWaalsContact C-N 3.33Å; E724-T726 PolarHBondContact O-N 3.35Å; E724-L727 PolarHBondContact O-N 3.48Å; E724-I728 VanDerWaalsContact O-CG1 3.3Å; E724-I728 WeakPolarHBondContact O-CG1 3.44Å; E724-I728 PolarHBondContact O-N 2.64Å; E724-P759 HydrophobicContact CG-CB 4.36Å; E724-P759 HydrophobicContact CG-CG 4.42Å
725	I	92.3	Very high	91.7	Very high	83 Å²	83	57.2 Å²	57.2	43%	0.426	31%	0.311	S	S	.	.	H	α-helix	trans	-60.6	-43	176.7	-69.8	168.5	0	0	0	110.9	L721 L727 I728 I729	L721-I725 HydrophobicContact CD1-CD1 4.01Å; L721-I725 HydrophobicContact CD1-CG1 4.36Å; L721-I725 HydrophobicContact CG-CD1 3.9Å; L721-I725 WeakPolarHBondContact O-CB 3.37Å; L721-I725 VanDerWaalsContact O-CG1 3.24Å; L721-I725 WeakPolarHBondContact O-CG1 3.46Å; L721-I725 PolarHBondContact O-N 3.21Å; I725-L727 PolarHBondContact O-N 3.17Å; I725-I728 PolarHBondContact O-N 3.48Å; I725-I729 HydrophobicContact CG2-CD1 3.82Å; I725-I729 WeakPolarHBondContact O-CG1 3.28Å; I725-I729 PolarHBondContact O-N 3.45Å
726	T	92.1	Very high	91.6	Very high	66 Å²	66	55 Å²	55	41%	0.405	30%	0.3	S	S	.	.	H	α-helix	trans	-62.5	-43.2	177.6	-55	0	0	0	0	111.3	T722 L723 E724 I728 I729 L730	T722-T726 WeakPolarHBondContact O-CB 3.43Å; T722-T726 PolarHBondContact O-N 3.09Å; T722-T726 PolarHBondContact O-OG1 2.78Å; L723-T726 PolarHBondContact O-N 3.46Å; E724-T726 VanDerWaalsContact C-N 3.33Å; E724-T726 PolarHBondContact O-N 3.35Å; T726-I728 VanDerWaalsContact C-N 3.3Å; T726-I728 PolarHBondContact O-N 2.82Å; T726-I729 PolarHBondContact O-N 3.14Å; T726-L730 HydrophobicContact CG2-CD1 4.02Å; T726-L730 WeakPolarHBondContact O-CG 3.29Å; T726-L730 PolarHBondContact O-N 3.44Å
727	L	90.9	Very high	91.4	Very high	20 Å²	20	58.5 Å²	58.5	11%	0.105	31%	0.313	C	S	.	.	H	α-helix	trans	-71	-20.8	177.9	-71.7	168.7	0	0	0	113.8	R664 L723 E724 I725 E731 A758 P759	R664-L727 PolarHBondContact NH2-O 3.01Å; L723-L727 HydrophobicContact CD1-CD1 3.81Å; L723-L727 HydrophobicContact CD1-CG 4.25Å; L723-L727 HydrophobicContact CG-CD1 3.92Å; L723-L727 WeakPolarHBondContact O-CB 3.38Å; L723-L727 VanDerWaalsContact O-CG 3.3Å; L723-L727 WeakPolarHBondContact O-CG 3.48Å; L723-L727 PolarHBondContact O-N 3.29Å; E724-L727 PolarHBondContact O-N 3.48Å; I725-L727 PolarHBondContact O-N 3.17Å; L727-E731 PolarHBondContact O-N 3.42Å; L727-A758 HydrophobicContact CD1-CB 3.81Å; L727-P759 HydrophobicContact CD1-CG 3.81Å
728	I	90.8	Very high	91.1	Very high	24 Å²	24	59.8 Å²	59.8	12%	0.123	32%	0.324	C	S	.	.	H	α-helix	trans	-83.4	-30.3	173.2	-72	166.1	0	0	0	111.3	Y661 R664 E724 I725 T726 E731	Y661-I728 HydrophobicContact CD1-CG2 3.8Å; Y661-I728 HydrophobicContact CE1-CG2 3.43Å; Y661-I728 VanDerWaalsContact CE1-CG2 3.43Å; R664-I728 HydrophobicContact CG-CD1 4.42Å; R664-I728 HydrophobicContact CG-CG1 4.06Å; E724-I728 VanDerWaalsContact O-CG1 3.3Å; E724-I728 WeakPolarHBondContact O-CG1 3.44Å; E724-I728 PolarHBondContact O-N 2.64Å; I725-I728 PolarHBondContact O-N 3.48Å; T726-I728 VanDerWaalsContact C-N 3.3Å; T726-I728 PolarHBondContact O-N 2.82Å; I728-E731 CarbonylContact O-C 3.46Å
729	I	90.2	Very high	90.8	Very high	131 Å²	131	62.8 Å²	62.8	67%	0.672	33%	0.331	S	S	*	.	H	α-helix	trans	-73.9	-38.4	173.9	-68.2	166.1	0	0	0	111.3	I725 T726	I725-I729 HydrophobicContact CG2-CD1 3.82Å; I725-I729 WeakPolarHBondContact O-CG1 3.28Å; I725-I729 PolarHBondContact O-N 3.45Å; T726-I729 PolarHBondContact O-N 3.14Å
730	L	90.3	Very high	90.3	Very high	127 Å²	127	63.5 Å²	63.5	67%	0.665	34%	0.338	S	S	*	.	H	α-helix	trans	-77.1	-30.6	178.5	-68.2	172.8	0	0	0	113.5	T726	T726-L730 HydrophobicContact CG2-CD1 4.02Å; T726-L730 WeakPolarHBondContact O-CG 3.29Å; T726-L730 PolarHBondContact O-N 3.44Å
731	E	88.8	Confident	89.8	Confident	53 Å²	53	66.3 Å²	66.3	25%	0.248	36%	0.357	C	S	.	.	S	Bend	trans	-136.8	93.6	177.7	-67.3	178.3	-176.3	0	0	109.4	R664 L727 I728 P733 S752	R664-E731 IonicContact CZ-OE2 2.89Å; R664-E731 VanDerWaalsContact CZ-OE2 3.29Å; R664-E731 IonicContact NH1-OE2 2.72Å; R664-E731 PolarHBondContact NH1-OE2 3.09Å; R664-E731 IonicContact NH2-OE2 2.83Å; R664-E731 PolarHBondContact NH2-OE2 3.14Å; L727-E731 PolarHBondContact O-N 3.42Å; I728-E731 CarbonylContact O-C 3.46Å; E731-P733 WeakPolarHBondContact O-CD 3.37Å; E731-S752 WeakPolarHBondContact OE1-CB 3.45Å; E731-S752 PolarHBondContact OE1-OG 3.4Å; E731-S752 WeakPolarHBondContact OE2-CB 3.44Å; E731-S752 PolarHBondContact OE2-OG 3.45Å
732	P	88.2	Confident	89.3	Confident	54 Å²	54	67.8 Å²	67.8	35%	0.351	36%	0.364	S	S	.	.			trans	-65.5	123.7	176.8	25.6	-33.2	0	0	0	110.5	E734	P732-E734 PolarHBondContact O-N 2.94Å
733	P	86.8	Confident	88.8	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.006	36%	0.363	C	S	.	.			trans	-80.8	86.8	-177.7	32.5	-35.6	0	0	0	111	C660 Y661 R664 E731	C660-P733 HydrophobicContact CB-CB 4.13Å; C660-P733 WeakPolarHBondContact CB-O 3.43Å; Y661-P733 HydrophobicContact CD1-CG 4.26Å; Y661-P733 HydrophobicContact CD2-CG 3.56Å; Y661-P733 HydrophobicContact CE1-CG 4.48Å; Y661-P733 HydrophobicContact CE2-CG 3.82Å; Y661-P733 HydrophobicContact CG-CG 3.81Å; R664-P733 HydrophobicContact CB-CG 4.47Å; E731-P733 WeakPolarHBondContact O-CD 3.37Å
734	E	88.4	Confident	88.4	Confident	105 Å²	105	70.3 Å²	70.3	49%	0.491	36%	0.363	S	S	.	.			trans	-95.2	152.3	177.8	-64.8	-175.5	168	0	0	112.7	P732 I736 N750	P732-E734 PolarHBondContact O-N 2.94Å; E734-I736 PolarHBondContact O-N 3.43Å; E734-N750 VanDerWaalsContact O-CB 3.28Å; E734-N750 WeakPolarHBondContact O-CB 3.4Å; E734-N750 PolarHBondContact O-N 3.39Å
735	P	90.8	Very high	88.3	Confident	48 Å²	48	70.2 Å²	70.2	31%	0.312	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	118.7	174.6	31	-33.5	0	0	0	111.4	P655 V657 L747 I748	P655-P735 HydrophobicContact CB-CB 4.2Å; V657-P735 HydrophobicContact CG2-CG 4.46Å; P735-L747 HydrophobicContact CB-CD1 4.39Å; P735-I748 CarbonylContact C-O 3.54Å; P735-I748 WeakPolarHBondContact CA-O 3.5Å
736	I	90.2	Very high	88.1	Confident	68 Å²	68	70.2 Å²	70.2	35%	0.349	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	153.2	-178.3	59.9	172.2	0	0	0	111.8	E734 I748 N750	E734-I736 PolarHBondContact O-N 3.43Å; I736-I748 HydrophobicContact CD1-CG1 4.43Å; I736-I748 HydrophobicContact CG1-CG1 3.87Å; I736-I748 PolarHBondContact N-O 3.03Å; I736-I748 PolarHBondContact O-N 3.09Å; I736-N750 HydrophobicContact CD1-CB 4Å; I736-N750 HydrophobicContact CG1-CB 4.27Å; I736-N750 HydrophobicContact CG2-CB 4.18Å
737	K	88.8	Confident	88	Confident	118 Å²	118	68.1 Å²	68.1	51%	0.513	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	135	170.7	-63.5	-178.7	-178	-174.6	0	109.9	L586 Y739 V745 Y746	L586-K737 HydrophobicContact CD2-CD 4.2Å; L586-K737 HydrophobicContact CD2-CG 4.25Å; K737-Y739 HydrophobicContact CB-CE1 4.41Å; K737-Y739 HydrophobicContact CB-CE2 4.08Å; K737-Y739 VanDerWaalsContact CD-OH 3.24Å; K737-Y739 WeakPolarHBondContact CD-OH 3.46Å; K737-V745 HydrophobicContact CB-CG1 4.04Å; K737-V745 HydrophobicContact CD-CG1 4.15Å; K737-V745 HydrophobicContact CG-CG1 4.2Å; K737-Y746 CarbonylContact C-O 3.46Å; K737-Y746 WeakPolarHBondContact CA-O 3.2Å
738	S	87.3	Confident	88	Confident	47 Å²	47	70.2 Å²	70.2	33%	0.329	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.9	175.5	-175.4	0	0	0	0	110	P740 Y746	S738-P740 VanDerWaalsContact O-CD 3.31Å; S738-P740 WeakPolarHBondContact O-CD 3.38Å; S738-Y746 PolarHBondContact N-O 2.86Å; S738-Y746 PolarHBondContact O-N 3.45Å
739	Y	88.3	Confident	87.9	Confident	93 Å²	93	69.6 Å²	69.6	37%	0.365	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	78.7	-172	-54.9	-77.5	0	0	0	110.5	K737 S741 V745	K737-Y739 HydrophobicContact CB-CE1 4.41Å; K737-Y739 HydrophobicContact CB-CE2 4.08Å; K737-Y739 VanDerWaalsContact CD-OH 3.24Å; K737-Y739 WeakPolarHBondContact CD-OH 3.46Å; Y739-S741 PolarHBondContact O-N 3.48Å; Y739-V745 HydrophobicContact CD1-CB 4.31Å; Y739-V745 HydrophobicContact CD1-CG1 3.95Å; Y739-V745 HydrophobicContact CD1-CG2 3.85Å; Y739-V745 HydrophobicContact CE1-CB 4.19Å; Y739-V745 HydrophobicContact CE1-CG1 3.51Å; Y739-V745 HydrophobicContact CE1-CG2 3.72Å
740	P	85.1	Confident	87.8	Confident	86 Å²	86	66.6 Å²	66.6	56%	0.558	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	-16.2	177.3	31	-35.7	0	0	0	113.2	S738 E744 Y746	S738-P740 VanDerWaalsContact O-CD 3.31Å; S738-P740 WeakPolarHBondContact O-CD 3.38Å; P740-E744 HydrophobicContact CG-CB 4.4Å; P740-Y746 HydrophobicContact CG-CD2 3.57Å; P740-Y746 HydrophobicContact CG-CE2 3.66Å
741	S	83	Confident	87.4	Confident	59 Å²	59	63.4 Å²	63.4	41%	0.413	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	155.6	178.2	175.9	0	0	0	0	109.8	Y739 R743 E744	Y739-S741 PolarHBondContact O-N 3.48Å; S741-R743 PolarHBondContact O-N 3.23Å; S741-R743 PolarHBondContact OG-N 3.3Å; S741-E744 PolarHBondContact O-N 2.94Å; S741-E744 VanDerWaalsContact O-N 3.15Å; S741-E744 VanDerWaalsContact O-O 3.1Å
742	I	83.4	Confident	87.2	Confident	95 Å²	95	62.4 Å²	62.4	49%	0.487	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.6	175.3	60.8	173.6	0	0	0	113.6	N556 W573 L584	N556-I742 HydrophobicContact CB-CD1 4.42Å; W573-I742 HydrophobicContact CZ3-CD1 4.1Å; W573-I742 HydrophobicContact CZ3-CG1 4.2Å; L584-I742 VanDerWaalsContact CD1-O 3.3Å; L584-I742 WeakPolarHBondContact CD1-O 3.4Å
743	R	83.8	Confident	87	Confident	139 Å²	139	64.2 Å²	64.2	53%	0.525	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	0.9	176.6	-69	-171.1	-177.8	-166.3	5.3	114.2	D555 W573 S741	D555-R743 IonicContact OD2-CZ 2.68Å; D555-R743 IonicContact OD2-NH2 2.7Å; D555-R743 PolarHBondContact OD2-NH2 3.48Å; W573-R743 HydrophobicContact CD2-CG 4.45Å; W573-R743 HydrophobicContact CE3-CG 3.87Å; W573-R743 HydrophobicContact CH2-CG 3.75Å; W573-R743 HydrophobicContact CZ2-CG 4.3Å; W573-R743 VanDerWaalsContact CZ2-NE 3.34Å; W573-R743 HydrophobicContact CZ3-CG 3.49Å; W573-R743 VanDerWaalsContact CZ3-CG 3.49Å; S741-R743 PolarHBondContact O-N 3.23Å; S741-R743 PolarHBondContact OG-N 3.3Å
744	E	85.8	Confident	87	Confident	56 Å²	56	68.6 Å²	68.6	26%	0.262	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	130.2	-175.5	-59.7	-157.1	128.7	0	0	113.7	K587 P740 S741 Y746	K587-E744 IonicContact NZ-OE1 3.52Å; K587-E744 PolarHBondContact NZ-OE1 3.3Å; P740-E744 HydrophobicContact CG-CB 4.4Å; S741-E744 PolarHBondContact O-N 2.94Å; S741-E744 VanDerWaalsContact O-N 3.15Å; S741-E744 VanDerWaalsContact O-O 3.1Å; E744-Y746 HydrophobicContact CB-CD2 4.42Å; E744-Y746 HydrophobicContact CB-CE2 3.9Å; E744-Y746 WeakPolarHBondContact OE2-CE2 3.25Å; E744-Y746 PolarHBondContact OE2-OH 3.19Å
745	V	89.8	Confident	86.8	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.012	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	115.4	175.4	-168.9	0	0	0	0	109.2	L584 L586 K587 K737 Y739	L584-V745 HydrophobicContact CB-CG2 3.69Å; L584-V745 HydrophobicContact CD1-CG2 4.08Å; L586-V745 HydrophobicContact CD2-CB 4.06Å; L586-V745 HydrophobicContact CD2-CG1 3.47Å; L586-V745 VanDerWaalsContact CD2-CG1 3.47Å; K587-V745 PolarHBondContact N-O 3.11Å; K737-V745 HydrophobicContact CB-CG1 4.04Å; K737-V745 HydrophobicContact CD-CG1 4.15Å; K737-V745 HydrophobicContact CG-CG1 4.2Å; Y739-V745 HydrophobicContact CD1-CB 4.31Å; Y739-V745 HydrophobicContact CD1-CG1 3.95Å; Y739-V745 HydrophobicContact CD1-CG2 3.85Å; Y739-V745 HydrophobicContact CE1-CB 4.19Å; Y739-V745 HydrophobicContact CE1-CG1 3.51Å; Y739-V745 HydrophobicContact CE1-CG2 3.72Å
746	Y	88.4	Confident	86.3	Confident	82 Å²	82	62.7 Å²	62.7	32%	0.322	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	135.6	175.7	-71.5	-94.7	0	0	0	110.9	K587 K737 S738 P740 E744	K587-Y746 HydrophobicContact CB-CD1 3.8Å; K587-Y746 HydrophobicContact CB-CE1 3.79Å; K587-Y746 HydrophobicContact CB-CG 4.32Å; K587-Y746 HydrophobicContact CD-CE1 4.22Å; K587-Y746 HydrophobicContact CD-CE2 4.49Å; K587-Y746 CarbonylContact O-C 3.6Å; K587-Y746 VanDerWaalsContact O-CA 3.3Å; K587-Y746 WeakPolarHBondContact O-CA 3.49Å; K737-Y746 CarbonylContact C-O 3.46Å; K737-Y746 WeakPolarHBondContact CA-O 3.2Å; S738-Y746 PolarHBondContact N-O 2.86Å; S738-Y746 PolarHBondContact O-N 3.45Å; P740-Y746 HydrophobicContact CG-CD2 3.57Å; P740-Y746 HydrophobicContact CG-CE2 3.66Å; E744-Y746 HydrophobicContact CB-CD2 4.42Å; E744-Y746 HydrophobicContact CB-CE2 3.9Å; E744-Y746 WeakPolarHBondContact OE2-CE2 3.25Å; E744-Y746 PolarHBondContact OE2-OH 3.19Å
747	L	89.6	Confident	86.1	Confident	23 Å²	23	62.9 Å²	62.9	12%	0.12	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	121.6	169.3	-171.1	71	0	0	0	109.1	K587 P655 P735	K587-L747 PolarHBondContact O-N 2.89Å; P655-L747 HydrophobicContact CB-CD2 4.27Å; P655-L747 HydrophobicContact CB-CG 4.14Å; P735-L747 HydrophobicContact CB-CD1 4.39Å
748	I	89.4	Confident	86.1	Confident	63 Å²	63	58.8 Å²	58.8	32%	0.323	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	156.9	-176.6	63.4	173.3	0	0	0	111.8	P735 I736	P735-I748 CarbonylContact C-O 3.54Å; P735-I748 WeakPolarHBondContact CA-O 3.5Å; I736-I748 HydrophobicContact CD1-CG1 4.43Å; I736-I748 HydrophobicContact CG1-CG1 3.87Å; I736-I748 PolarHBondContact N-O 3.03Å; I736-I748 PolarHBondContact O-N 3.09Å
749	C	89.1	Confident	86.2	Confident	12 Å²	12	57 Å²	57	8%	0.081	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	131	171.3	-63.7	0	0	0	0	111.1	C660 Q663 T751	C660-C749 WeakPolarHBondContact CA-SG 3.32Å; C660-C749 HydrophobicContact CB-CB 3.65Å; C660-C749 WeakPolarHBondContact CB-SG 3.35Å; C660-C749 VanDerWaalsContact SG-CA 3.56Å; C660-C749 WeakPolarHBondContact SG-CB 3.42Å; C660-C749 CovalentContact SG-SG 2.03Å; C660-C749 PolarHBondContact SG-SG 3.22Å; Q663-C749 PolarHBondContact OE1-SG 2.99Å; C749-T751 PolarHBondContact O-N 3.33Å; C749-T751 PolarHBondContact O-OG1 3.4Å
750	N	87.8	Confident	86.1	Confident	68 Å²	68	53.8 Å²	53.8	36%	0.364	29%	0.294	S	S	.	.			trans	-61.1	102.9	176.6	-173.2	10.7	0	0	0	110.8	E734 I736	E734-N750 VanDerWaalsContact O-CB 3.28Å; E734-N750 WeakPolarHBondContact O-CB 3.4Å; E734-N750 PolarHBondContact O-N 3.39Å; I736-N750 HydrophobicContact CD1-CB 4Å; I736-N750 HydrophobicContact CG1-CB 4.27Å; I736-N750 HydrophobicContact CG2-CB 4.18Å
751	T	82.4	Confident	86.4	Confident	59 Å²	59	51.6 Å²	51.6	36%	0.362	29%	0.286	S	S	.	.			trans	-136.6	102.8	-170.6	-50	0	0	0	0	109.1	C749 M756	C749-T751 PolarHBondContact O-N 3.33Å; C749-T751 PolarHBondContact O-OG1 3.4Å; T751-M756 HydrophobicContact CG2-CB 4.45Å
752	S	84.9	Confident	86.8	Confident	32 Å²	32	50.6 Å²	50.6	22%	0.224	27%	0.274	C	S	.	.			trans	-70.9	158.7	175.5	92.9	0	0	0	0	111.2	E731 V754 G755 M756	E731-S752 WeakPolarHBondContact OE1-CB 3.45Å; E731-S752 PolarHBondContact OE1-OG 3.4Å; E731-S752 WeakPolarHBondContact OE2-CB 3.44Å; E731-S752 PolarHBondContact OE2-OG 3.45Å; S752-V754 PolarHBondContact O-N 2.81Å; S752-V754 PolarHBondContact OG-N 3.13Å; S752-V754 VanDerWaalsContact OG-N 3.12Å; S752-G755 PolarHBondContact O-N 2.84Å; S752-G755 PolarHBondContact OG-N 2.71Å; S752-M756 PolarHBondContact O-N 3.13Å
753	N	84.4	Confident	87.2	Confident	93 Å²	93	46.1 Å²	46.1	50%	0.497	25%	0.251	S	S	.	.	H	α-helix	trans	-59.3	-32.3	172.3	-68.5	-32.2	0	0	0	111.6	V757	N753-V757 VanDerWaalsContact O-CB 3.24Å; N753-V757 WeakPolarHBondContact O-CB 3.47Å; N753-V757 WeakPolarHBondContact O-CG2 3.39Å; N753-V757 PolarHBondContact O-N 3.01Å
754	V	85.3	Confident	87.5	Confident	92 Å²	92	41 Å²	41	56%	0.558	24%	0.241	S	C	*	.	H	α-helix	trans	-70.6	-45.3	177.6	-178	0	0	0	0	110.7	S752 M756 V757 A758	S752-V754 PolarHBondContact O-N 2.81Å; S752-V754 PolarHBondContact OG-N 3.13Å; S752-V754 VanDerWaalsContact OG-N 3.12Å; V754-M756 PolarHBondContact O-N 2.8Å; V754-V757 PolarHBondContact O-N 2.78Å; V754-A758 WeakPolarHBondContact O-CB 3.47Å; V754-A758 PolarHBondContact O-N 3.03Å
755	G	84.3	Confident	87.8	Confident	3 Å²	3	43.8 Å²	43.8	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-57.3	-31.7	178.2	0	0	0	0	0	113.7	S752 P759	S752-G755 PolarHBondContact O-N 2.84Å; S752-G755 PolarHBondContact OG-N 2.71Å; G755-P759 WeakPolarHBondContact O-CD 3.32Å; G755-P759 VanDerWaalsContact O-CG 3.32Å; G755-P759 WeakPolarHBondContact O-CG 3.49Å
756	M	82.1	Confident	87.8	Confident	27 Å²	27	44 Å²	44	13%	0.133	26%	0.258	C	S	.	.	H	α-helix	trans	-88.3	-42.1	174.1	-166.7	62.9	164.8	0	0	113.4	V667 T751 S752 V754 L760 F804 Y808 T818	V667-M756 HydrophobicContact CG1-CE 4.24Å; T751-M756 HydrophobicContact CG2-CB 4.45Å; S752-M756 PolarHBondContact O-N 3.13Å; V754-M756 PolarHBondContact O-N 2.8Å; M756-L760 HydrophobicContact CE-CD1 4.16Å; M756-L760 HydrophobicContact CG-CD1 4.2Å; M756-L760 WeakPolarHBondContact O-CG 3.43Å; M756-L760 HydrophobicContact SD-CD1 4.45Å; M756-F804 HydrophobicContact CE-CZ 4.3Å; M756-Y808 HydrophobicContact CE-CE2 4Å; M756-Y808 HydrophobicContact CG-CE1 4.2Å; M756-Y808 HydrophobicContact CG-CE2 4.22Å; M756-T818 HydrophobicContact CE-CG2 3.55Å; M756-T818 WeakPolarHBondContact CE-OG1 3.44Å
757	V	85.2	Confident	88	Confident	72 Å²	72	40.5 Å²	40.5	44%	0.436	25%	0.245	S	C	.	.	H	α-helix	trans	-71.7	-37	-174.4	170.1	0	0	0	0	112.6	N753 V754 L760 G761 F809	N753-V757 VanDerWaalsContact O-CB 3.24Å; N753-V757 WeakPolarHBondContact O-CB 3.47Å; N753-V757 WeakPolarHBondContact O-CG2 3.39Å; N753-V757 PolarHBondContact O-N 3.01Å; V754-V757 PolarHBondContact O-N 2.78Å; V757-L760 PolarHBondContact O-N 2.77Å; V757-G761 PolarHBondContact O-N 2.81Å; V757-F809 HydrophobicContact CG2-CE2 4.21Å; V757-F809 HydrophobicContact CG2-CZ 3.66Å
758	A	88.4	Confident	88	Confident	32 Å²	32	45.5 Å²	45.5	26%	0.264	27%	0.269	S	S	.	.	H	α-helix	trans	-66.6	-47.8	-176	0	0	0	0	0	113.6	L727 V754 L760 G761 Y762	L727-A758 HydrophobicContact CD1-CB 3.81Å; V754-A758 WeakPolarHBondContact O-CB 3.47Å; V754-A758 PolarHBondContact O-N 3.03Å; A758-L760 VanDerWaalsContact C-N 3.28Å; A758-L760 PolarHBondContact O-N 3.19Å; A758-G761 PolarHBondContact O-N 3.46Å; A758-Y762 PolarHBondContact O-N 2.74Å
759	P	89.8	Confident	88	Confident	9 Å²	9	44.9 Å²	44.9	6%	0.058	27%	0.271	C	S	.	.	H	α-helix	trans	-61.9	-33.1	174	-24.9	36.7	0	0	0	113.4	Q720 E724 L727 G755 N763	Q720-P759 PolarHBondContact NE2-O 3.47Å; Q720-P759 VanDerWaalsContact NE2-O 3.17Å; E724-P759 HydrophobicContact CG-CB 4.36Å; E724-P759 HydrophobicContact CG-CG 4.42Å; L727-P759 HydrophobicContact CD1-CG 3.81Å; G755-P759 WeakPolarHBondContact O-CD 3.32Å; G755-P759 VanDerWaalsContact O-CG 3.32Å; G755-P759 WeakPolarHBondContact O-CG 3.49Å; P759-N763 PolarHBondContact O-N 3.41Å; P759-N763 PolarHBondContact O-ND2 3.47Å
760	L	86.3	Confident	88.1	Confident	26 Å²	26	44.3 Å²	44.3	14%	0.136	27%	0.267	C	S	.	.	H	α-helix	trans	-76.7	-32.7	176	-66.6	-174.8	0	0	0	112.7	V667 M756 V757 A758 N763 G764 W801 F804	V667-L760 HydrophobicContact CG1-CD2 4.37Å; M756-L760 HydrophobicContact CE-CD1 4.16Å; M756-L760 HydrophobicContact CG-CD1 4.2Å; M756-L760 WeakPolarHBondContact O-CG 3.43Å; M756-L760 HydrophobicContact SD-CD1 4.45Å; V757-L760 PolarHBondContact O-N 2.77Å; A758-L760 VanDerWaalsContact C-N 3.28Å; A758-L760 PolarHBondContact O-N 3.19Å; L760-N763 WeakPolarHBondContact O-CB 2.94Å; L760-N763 PolarHBondContact O-N 3.49Å; L760-G764 PolarHBondContact O-N 2.93Å; L760-W801 HydrophobicContact CD1-CZ3 4.28Å; L760-W801 HydrophobicContact CD2-CH2 3.67Å; L760-W801 HydrophobicContact CD2-CZ3 3.61Å; L760-F804 HydrophobicContact CD1-CD1 4.27Å; L760-F804 HydrophobicContact CD1-CE1 3.35Å; L760-F804 HydrophobicContact CD1-CZ 3.74Å
761	G	90.1	Very high	88.1	Confident	39 Å²	39	42.2 Å²	42.2	40%	0.402	26%	0.256	S	S	.	.	H	α-helix	trans	-61.1	-43.2	175	0	0	0	0	0	112.3	V757 A758 G764 L765	V757-G761 PolarHBondContact O-N 2.81Å; A758-G761 PolarHBondContact O-N 3.46Å; G761-G764 PolarHBondContact O-N 3.33Å; G761-L765 WeakPolarHBondContact O-CG 3.41Å; G761-L765 PolarHBondContact O-N 3.47Å
762	Y	93.1	Very high	88.4	Confident	39 Å²	39	45.8 Å²	45.8	15%	0.153	26%	0.264	C	S	.	.	H	α-helix	trans	-64	-41.8	173.6	-174.5	-100.1	0	0	0	112.2	L716 V719 Q720 A758 G764 L765 L766	L716-Y762 PolarHBondContact O-OH 2.88Å; V719-Y762 HydrophobicContact CB-CE2 4.26Å; V719-Y762 HydrophobicContact CG1-CD2 4.18Å; V719-Y762 HydrophobicContact CG1-CE2 3.54Å; Q720-Y762 HydrophobicContact CB-CD1 4.01Å; Q720-Y762 HydrophobicContact CB-CE1 4.06Å; A758-Y762 PolarHBondContact O-N 2.74Å; Y762-G764 VanDerWaalsContact C-N 3.32Å; Y762-G764 PolarHBondContact O-N 2.73Å; Y762-L765 WeakPolarHBondContact O-CB 3.04Å; Y762-L765 PolarHBondContact O-N 3.14Å; Y762-L765 VanDerWaalsContact O-N 3.13Å; Y762-L766 HydrophobicContact CD1-CD1 3.99Å; Y762-L766 HydrophobicContact CD1-CG 4.13Å; Y762-L766 HydrophobicContact CE1-CD1 3.61Å; Y762-L766 HydrophobicContact CE1-CD2 4.08Å; Y762-L766 HydrophobicContact CE1-CG 3.76Å; Y762-L766 PolarHBondContact O-N 2.91Å
763	N	90.4	Very high	88.5	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-59.5	-41.4	172.4	-83.9	-67.5	0	0	0	112.1	G668 S671 A672 Q720 P759 L760 L765 L766 I767	G668-N763 PolarHBondContact O-ND2 2.84Å; S671-N763 WeakPolarHBondContact CB-OD1 3.33Å; A672-N763 VanDerWaalsContact CA-OD1 3.28Å; A672-N763 WeakPolarHBondContact CA-OD1 3.32Å; A672-N763 PolarHBondContact N-OD1 2.91Å; Q720-N763 PolarHBondContact NE2-ND2 3.46Å; P759-N763 PolarHBondContact O-N 3.41Å; P759-N763 PolarHBondContact O-ND2 3.47Å; L760-N763 WeakPolarHBondContact O-CB 2.94Å; L760-N763 PolarHBondContact O-N 3.49Å; N763-L765 PolarHBondContact O-N 2.91Å; N763-L766 WeakPolarHBondContact O-CB 3.25Å; N763-L766 PolarHBondContact O-N 3.21Å; N763-I767 WeakPolarHBondContact O-CD1 3.25Å; N763-I767 VanDerWaalsContact O-CG1 3.24Å; N763-I767 WeakPolarHBondContact O-CG1 3.4Å; N763-I767 PolarHBondContact O-N 2.89Å
764	G	90.4	Very high	88.5	Confident	30 Å²	30	42.9 Å²	42.9	31%	0.309	24%	0.242	S	C	.	.	H	α-helix	trans	-57.6	-42.8	171.3	0	0	0	0	0	113.2	L760 G761 Y762 I767 M768	L760-G764 PolarHBondContact O-N 2.93Å; G761-G764 PolarHBondContact O-N 3.33Å; Y762-G764 VanDerWaalsContact C-N 3.32Å; Y762-G764 PolarHBondContact O-N 2.73Å; G764-I767 PolarHBondContact O-N 3.42Å; G764-M768 WeakPolarHBondContact O-CB 3.45Å; G764-M768 WeakPolarHBondContact O-CG 3.26Å; G764-M768 PolarHBondContact O-N 3.34Å
765	L	91.6	Very high	88.4	Confident	115 Å²	115	43.4 Å²	43.4	60%	0.602	24%	0.237	S	C	*	.	H	α-helix	trans	-65.2	-39	174.8	-67.7	173.4	0	0	0	112.5	G761 Y762 N763 S769	G761-L765 WeakPolarHBondContact O-CG 3.41Å; G761-L765 PolarHBondContact O-N 3.47Å; Y762-L765 WeakPolarHBondContact O-CB 3.04Å; Y762-L765 PolarHBondContact O-N 3.14Å; Y762-L765 VanDerWaalsContact O-N 3.13Å; N763-L765 PolarHBondContact O-N 2.91Å; L765-S769 VanDerWaalsContact O-CB 3.29Å; L765-S769 WeakPolarHBondContact O-CB 3.17Å; L765-S769 PolarHBondContact O-N 2.94Å; L765-S769 PolarHBondContact O-OG 3.45Å
766	L	91.8	Very high	88.3	Confident	8 Å²	8	48.8 Å²	48.8	4%	0.042	26%	0.259	C	S	.	.	H	α-helix	trans	-64.1	-43.5	172.8	-70.2	-179.6	0	0	0	111.6	A672 Y762 N763 S769 C770	A672-L766 HydrophobicContact CB-CD1 4.18Å; Y762-L766 HydrophobicContact CD1-CD1 3.99Å; Y762-L766 HydrophobicContact CD1-CG 4.13Å; Y762-L766 HydrophobicContact CE1-CD1 3.61Å; Y762-L766 HydrophobicContact CE1-CD2 4.08Å; Y762-L766 HydrophobicContact CE1-CG 3.76Å; Y762-L766 PolarHBondContact O-N 2.91Å; N763-L766 WeakPolarHBondContact O-CB 3.25Å; N763-L766 PolarHBondContact O-N 3.21Å; L766-S769 PolarHBondContact O-N 3.33Å; L766-C770 WeakPolarHBondContact O-CB 3.42Å; L766-C770 PolarHBondContact O-N 2.91Å; L766-C770 PolarHBondContact O-SG 2.78Å
767	I	91.7	Very high	87.9	Confident	7 Å²	7	47.6 Å²	47.6	4%	0.036	25%	0.254	C	S	.	.	H	α-helix	trans	-61.7	-50.3	177.3	-70.6	157.4	0	0	0	110.5	Y675 N763 G764 S769 C770 T771 M794 C798 W801	Y675-I767 HydrophobicContact CD1-CG1 3.93Å; Y675-I767 HydrophobicContact CD2-CD1 4.17Å; Y675-I767 HydrophobicContact CD2-CG1 3.78Å; Y675-I767 HydrophobicContact CE1-CD1 4.48Å; Y675-I767 HydrophobicContact CE1-CG1 3.78Å; Y675-I767 HydrophobicContact CE2-CD1 3.64Å; Y675-I767 HydrophobicContact CE2-CG1 3.61Å; Y675-I767 HydrophobicContact CG-CG1 3.94Å; N763-I767 WeakPolarHBondContact O-CD1 3.25Å; N763-I767 VanDerWaalsContact O-CG1 3.24Å; N763-I767 WeakPolarHBondContact O-CG1 3.4Å; N763-I767 PolarHBondContact O-N 2.89Å; G764-I767 PolarHBondContact O-N 3.42Å; I767-S769 VanDerWaalsContact C-N 3.29Å; I767-S769 PolarHBondContact O-N 3.35Å; I767-C770 WeakPolarHBondContact O-CB 3.41Å; I767-C770 PolarHBondContact O-N 3.41Å; I767-C770 VanDerWaalsContact O-N 3.16Å; I767-T771 PolarHBondContact O-N 3.24Å; I767-T771 PolarHBondContact O-OG1 3.14Å; I767-T771 VanDerWaalsContact O-OG1 3.12Å; I767-M794 HydrophobicContact CB-CE 4.32Å; I767-M794 HydrophobicContact CG1-CE 4.47Å; I767-M794 HydrophobicContact CG2-CE 3.92Å; I767-C798 WeakPolarHBondContact CG2-SG 3.34Å; I767-W801 HydrophobicContact CD1-CB 4.4Å; I767-W801 HydrophobicContact CD1-CD2 4.41Å; I767-W801 HydrophobicContact CD1-CG 3.81Å
768	M	89.8	Confident	87.3	Confident	128 Å²	128	50.9 Å²	50.9	63%	0.631	26%	0.258	S	S	*	.	H	α-helix	trans	-60.2	-39.9	177.5	-72.9	-63.6	-74.3	0	0	111.9	G764 T771 Y772	G764-M768 WeakPolarHBondContact O-CB 3.45Å; G764-M768 WeakPolarHBondContact O-CG 3.26Å; G764-M768 PolarHBondContact O-N 3.34Å; M768-T771 PolarHBondContact O-N 2.97Å; M768-Y772 WeakPolarHBondContact O-CB 3.41Å; M768-Y772 PolarHBondContact O-N 3.2Å
769	S	89.8	Confident	86.4	Confident	51 Å²	51	55.1 Å²	55.1	36%	0.357	28%	0.276	S	S	.	.	H	α-helix	trans	-64.2	-43.3	174.4	-61	0	0	0	0	112.3	L765 L766 I767 Y773	L765-S769 VanDerWaalsContact O-CB 3.29Å; L765-S769 WeakPolarHBondContact O-CB 3.17Å; L765-S769 PolarHBondContact O-N 2.94Å; L765-S769 PolarHBondContact O-OG 3.45Å; L766-S769 PolarHBondContact O-N 3.33Å; I767-S769 VanDerWaalsContact C-N 3.29Å; I767-S769 PolarHBondContact O-N 3.35Å; S769-Y773 WeakPolarHBondContact O-CD2 3.2Å; S769-Y773 PolarHBondContact O-N 2.76Å; S769-Y773 VanDerWaalsContact O-N 3.12Å
770	C	89.6	Confident	85.2	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.1	-48.1	173.8	-72.1	0	0	0	0	111.5	Y675 V679 L766 I767 Y772 Y773 A774 M794	Y675-C770 PolarHBondContact O-SG 2.92Å; V679-C770 WeakPolarHBondContact CB-SG 3.38Å; V679-C770 PolarHBondContact N-SG 3.43Å; V679-C770 VanDerWaalsContact N-SG 3.41Å; L766-C770 WeakPolarHBondContact O-CB 3.42Å; L766-C770 PolarHBondContact O-N 2.91Å; L766-C770 PolarHBondContact O-SG 2.78Å; I767-C770 WeakPolarHBondContact O-CB 3.41Å; I767-C770 PolarHBondContact O-N 3.41Å; I767-C770 VanDerWaalsContact O-N 3.16Å; C770-Y772 PolarHBondContact O-N 2.98Å; C770-Y773 PolarHBondContact O-N 3Å; C770-A774 VanDerWaalsContact O-CB 3.26Å; C770-A774 WeakPolarHBondContact O-CB 3.46Å; C770-A774 PolarHBondContact O-N 2.99Å; C770-M794 HydrophobicContact CB-CE 3.37Å; C770-M794 HydrophobicContact CB-CG 4.02Å; C770-M794 HydrophobicContact CB-SD 3.49Å; C770-M794 WeakPolarHBondContact CB-SD 3.39Å
771	T	89.6	Confident	83.9	Confident	24 Å²	24	60 Å²	60	15%	0.147	31%	0.309	C	S	.	.	H	α-helix	trans	-63.7	-41.3	-178.8	-62.6	0	0	0	0	111.6	I767 M768 A774 F775 Y795 C798	I767-T771 PolarHBondContact O-N 3.24Å; I767-T771 PolarHBondContact O-OG1 3.14Å; I767-T771 VanDerWaalsContact O-OG1 3.12Å; M768-T771 PolarHBondContact O-N 2.97Å; T771-A774 PolarHBondContact O-N 2.81Å; T771-F775 WeakPolarHBondContact O-CB 3.33Å; T771-F775 PolarHBondContact O-N 2.89Å; T771-Y795 HydrophobicContact CG2-CD1 4.11Å; T771-Y795 HydrophobicContact CG2-CE1 4.01Å; T771-C798 PolarHBondContact OG1-SG 3.41Å
772	Y	88.9	Confident	82.1	Confident	133 Å²	133	61.8 Å²	61.8	52%	0.522	32%	0.319	S	S	.	.	H	α-helix	trans	-58.9	-47.9	172.7	173.7	-94.7	0	0	0	112.3	M768 C770 K776	M768-Y772 WeakPolarHBondContact O-CB 3.41Å; M768-Y772 PolarHBondContact O-N 3.2Å; C770-Y772 PolarHBondContact O-N 2.98Å; Y772-K776 HydrophobicContact CE1-CD 4.19Å; Y772-K776 WeakPolarHBondContact O-CB 3.13Å; Y772-K776 PolarHBondContact O-N 3.19Å; Y772-K776 VanDerWaalsContact O-N 3.09Å; Y772-K776 PolarHBondContact OH-NZ 3.48Å
773	Y	85.3	Confident	80.1	Confident	65 Å²	65	65.4 Å²	65.4	26%	0.255	34%	0.341	S	S	.	.	H	α-helix	trans	-69.4	-38.2	177.6	-69	-52.9	0	0	0	112.6	V679 N683 A686 S769 C770 K776 T777	V679-Y773 HydrophobicContact CG2-CD2 3.68Å; V679-Y773 HydrophobicContact CG2-CE2 3.85Å; N683-Y773 HydrophobicContact CB-CD2 4.28Å; N683-Y773 HydrophobicContact CB-CE2 4.27Å; A686-Y773 HydrophobicContact CB-CD1 4.33Å; S769-Y773 WeakPolarHBondContact O-CD2 3.2Å; S769-Y773 PolarHBondContact O-N 2.76Å; S769-Y773 VanDerWaalsContact O-N 3.12Å; C770-Y773 PolarHBondContact O-N 3Å; Y773-K776 CarbonylContact O-C 3.03Å; Y773-K776 WeakPolarHBondContact O-CB 3.36Å; Y773-K776 PolarHBondContact O-N 2.85Å; Y773-T777 WeakPolarHBondContact O-CG2 3.2Å; Y773-T777 PolarHBondContact O-N 2.98Å; Y773-T777 PolarHBondContact O-OG1 2.83Å
774	A	84.7	Confident	78.5	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-60.6	-47.7	176.9	0	0	0	0	0	111.4	C770 T771 K776 T777 R778 A791 M794	C770-A774 VanDerWaalsContact O-CB 3.26Å; C770-A774 WeakPolarHBondContact O-CB 3.46Å; C770-A774 PolarHBondContact O-N 2.99Å; T771-A774 PolarHBondContact O-N 2.81Å; A774-K776 VanDerWaalsContact C-N 3.33Å; A774-K776 PolarHBondContact O-N 3Å; A774-T777 WeakPolarHBondContact CA-OG1 3.37Å; A774-T777 CarbonylContact O-C 3.6Å; A774-T777 WeakPolarHBondContact O-CA 3.43Å; A774-T777 PolarHBondContact O-N 3.4Å; A774-T777 PolarHBondContact O-OG1 3.13Å; A774-R778 PolarHBondContact O-N 2.83Å; A774-R778 VanDerWaalsContact O-N 3.1Å; A774-A791 HydrophobicContact CB-CB 4.32Å; A774-M794 HydrophobicContact CB-CG 4.3Å
775	F	83.9	Confident	77.3	Confident	103 Å²	103	72.5 Å²	72.5	45%	0.452	37%	0.369	S	S	.	.	H	α-helix	trans	-56.6	-45.2	172.7	-179.7	-88.8	0	0	0	111.6	T771 T777 R778	T771-F775 WeakPolarHBondContact O-CB 3.33Å; T771-F775 PolarHBondContact O-N 2.89Å; F775-T777 PolarHBondContact O-N 3.05Å; F775-R778 WeakPolarHBondContact O-CB 3.4Å; F775-R778 WeakPolarHBondContact O-CD 3.22Å; F775-R778 WeakPolarHBondContact O-CG 3.36Å; F775-R778 PolarHBondContact O-N 3.44Å; F775-R778 VanDerWaalsContact O-N 3.11Å
776	K	81.4	Confident	76.6	Confident	116 Å²	116	69.1 Å²	69.1	50%	0.504	35%	0.35	S	S	.	.	H	α-helix	trans	-62.4	-24.6	176.4	-163.8	169.5	-167.7	160.5	0	113.3	Y772 Y773 A774	Y772-K776 HydrophobicContact CE1-CD 4.19Å; Y772-K776 WeakPolarHBondContact O-CB 3.13Å; Y772-K776 PolarHBondContact O-N 3.19Å; Y772-K776 VanDerWaalsContact O-N 3.09Å; Y772-K776 PolarHBondContact OH-NZ 3.48Å; Y773-K776 CarbonylContact O-C 3.03Å; Y773-K776 WeakPolarHBondContact O-CB 3.36Å; Y773-K776 PolarHBondContact O-N 2.85Å; A774-K776 VanDerWaalsContact C-N 3.33Å; A774-K776 PolarHBondContact O-N 3Å
777	T	75.2	Confident	75.8	Confident	2 Å²	2	69 Å²	69	1%	0.012	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	1	175.6	56.2	0	0	0	0	115	I685 A686 Y773 A774 F775 N779 V780	I685-T777 HydrophobicContact CB-CG2 4.02Å; I685-T777 HydrophobicContact CG2-CG2 3.63Å; A686-T777 HydrophobicContact CB-CG2 3.78Å; Y773-T777 WeakPolarHBondContact O-CG2 3.2Å; Y773-T777 PolarHBondContact O-N 2.98Å; Y773-T777 PolarHBondContact O-OG1 2.83Å; A774-T777 WeakPolarHBondContact CA-OG1 3.37Å; A774-T777 CarbonylContact O-C 3.6Å; A774-T777 WeakPolarHBondContact O-CA 3.43Å; A774-T777 PolarHBondContact O-N 3.4Å; A774-T777 PolarHBondContact O-OG1 3.13Å; F775-T777 PolarHBondContact O-N 3.05Å; T777-N779 VanDerWaalsContact C-N 3.28Å; T777-N779 PolarHBondContact O-N 2.87Å; T777-V780 WeakPolarHBondContact O-CG2 3.47Å
778	R	72.7	Confident	75.3	Confident	140 Å²	140	76.1 Å²	76.1	53%	0.528	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-25.9	-175	83	-166.3	178.2	148.3	-1.5	114.2	A774 F775 V780	A774-R778 PolarHBondContact O-N 2.83Å; A774-R778 VanDerWaalsContact O-N 3.1Å; F775-R778 WeakPolarHBondContact O-CB 3.4Å; F775-R778 WeakPolarHBondContact O-CD 3.22Å; F775-R778 WeakPolarHBondContact O-CG 3.36Å; F775-R778 PolarHBondContact O-N 3.44Å; F775-R778 VanDerWaalsContact O-N 3.11Å; R778-V780 VanDerWaalsContact C-N 3.28Å; R778-V780 PolarHBondContact O-N 2.98Å
779	N	68.4	Low	75.1	Confident	122 Å²	122	74.8 Å²	74.8	65%	0.652	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	43.6	-178.7	-64.9	14.4	0	0	0	112.5	T777	T777-N779 VanDerWaalsContact C-N 3.28Å; T777-N779 PolarHBondContact O-N 2.87Å
780	V	65.6	Low	75	Confident	35 Å²	35	72.5 Å²	72.5	21%	0.212	35%	0.353	C	S	.	.			trans	-87.8	136.8	175.4	162.5	0	0	0	0	109.8	L689 T777 R778 F784 A787	L689-V780 HydrophobicContact CD1-CG2 3.64Å; L689-V780 HydrophobicContact CD2-CG2 3.63Å; L689-V780 HydrophobicContact CG-CG2 4.15Å; T777-V780 WeakPolarHBondContact O-CG2 3.47Å; R778-V780 VanDerWaalsContact C-N 3.28Å; R778-V780 PolarHBondContact O-N 2.98Å; V780-F784 HydrophobicContact CG1-CB 3.46Å; V780-F784 VanDerWaalsContact CG1-CB 3.46Å; V780-A787 HydrophobicContact CB-CB 4.39Å; V780-A787 HydrophobicContact CG2-CB 4.38Å
781	P	57.6	Low	74.7	Confident	103 Å²	103	72.8 Å²	72.8	67%	0.669	36%	0.356	S	S	*	.			trans	-60.9	148	175.8	25	-34.3	0	0	0	112	N783 F784	P781-N783 PolarHBondContact O-N 2.97Å; P781-F784 PolarHBondContact O-N 3.06Å; P781-F784 VanDerWaalsContact O-N 3.17Å
782	A	52	Low	74.6	Confident	75 Å²	75	77.4 Å²	77.4	62%	0.62	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-17.1	-160.7	0	0	0	0	0	116.8	F784 N785	A782-F784 PolarHBondContact O-N 3.11Å; A782-N785 PolarHBondContact O-ND2 2.65Å
783	N	51.8	Low	74.7	Confident	115 Å²	115	71.1 Å²	71.1	62%	0.615	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-7.5	179	-60.2	4.7	0	0	0	113.2	P781	P781-N783 PolarHBondContact O-N 2.97Å
784	F	57.4	Low	74.9	Confident	85 Å²	85	68 Å²	68	37%	0.373	34%	0.337	S	S	.	.			trans	-118.1	63.4	175.4	-103.2	-88.5	0	0	0	112.9	V780 P781 A782 E786 A787 T855	V780-F784 HydrophobicContact CG1-CB 3.46Å; V780-F784 VanDerWaalsContact CG1-CB 3.46Å; P781-F784 PolarHBondContact O-N 3.06Å; P781-F784 VanDerWaalsContact O-N 3.17Å; A782-F784 PolarHBondContact O-N 3.11Å; F784-E786 PolarHBondContact O-N 2.73Å; F784-A787 PolarHBondContact O-N 3.04Å; F784-T855 HydrophobicContact CD2-CG2 4.35Å; F784-T855 HydrophobicContact CE2-CG2 4.24Å
785	N	65.6	Low	75.2	Confident	96 Å²	96	72.4 Å²	72.4	51%	0.513	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-21.6	-179.8	-74.1	-58.3	0	0	0	115.2	A782 A787 K788 Y789	A782-N785 PolarHBondContact O-ND2 2.65Å; N785-A787 PolarHBondContact O-N 2.79Å; N785-K788 WeakPolarHBondContact O-CB 3.27Å; N785-K788 PolarHBondContact O-N 2.83Å; N785-K788 VanDerWaalsContact O-N 3.11Å; N785-Y789 HydrophobicContact CB-CE2 4.11Å; N785-Y789 WeakPolarHBondContact O-CD2 3.45Å
786	E	75.5	Confident	75.5	Confident	43 Å²	43	69.4 Å²	69.4	20%	0.201	35%	0.345	C	S	.	.	H	α-helix	trans	-55.3	-35	178.8	-176.9	169.1	-146.6	0	0	113.3	K681 F784 K788 Y789 I790 K837	K681-E786 WeakPolarHBondContact CE-OE1 3.37Å; K681-E786 IonicContact NZ-OE1 3.06Å; K681-E786 PolarHBondContact NZ-OE1 2.73Å; F784-E786 PolarHBondContact O-N 2.73Å; E786-K788 VanDerWaalsContact C-N 3.31Å; E786-K788 PolarHBondContact O-N 2.89Å; E786-Y789 PolarHBondContact O-N 3.22Å; E786-I790 HydrophobicContact CG-CD1 3.87Å; E786-I790 HydrophobicContact CG-CG1 4.37Å; E786-I790 WeakPolarHBondContact O-CG1 3.35Å; E786-I790 PolarHBondContact O-N 3.07Å; E786-I790 VanDerWaalsContact O-N 3.11Å; E786-K837 VanDerWaalsContact OE1-CE 3.31Å; E786-K837 WeakPolarHBondContact OE1-CE 3.04Å; E786-K837 IonicContact OE1-NZ 3.98Å; E786-K837 PolarHBondContact OE1-NZ 3.01Å
787	A	76.6	Confident	76	Confident	6 Å²	6	63.9 Å²	63.9	5%	0.05	32%	0.32	C	S	.	.	H	α-helix	trans	-64.8	-33.5	179.7	0	0	0	0	0	112.9	V780 F784 N785 A791	V780-A787 HydrophobicContact CB-CB 4.39Å; V780-A787 HydrophobicContact CG2-CB 4.38Å; F784-A787 PolarHBondContact O-N 3.04Å; N785-A787 PolarHBondContact O-N 2.79Å; A787-A791 PolarHBondContact O-N 3.04Å; A787-A791 VanDerWaalsContact O-N 3.08Å
788	K	81.1	Confident	76.7	Confident	157 Å²	157	64.9 Å²	64.9	68%	0.683	33%	0.327	S	S	*	.	H	α-helix	trans	-67	-44.9	177	-176.6	-178.7	177.5	-177.4	0	111.2	N785 E786 A791 F792	N785-K788 WeakPolarHBondContact O-CB 3.27Å; N785-K788 PolarHBondContact O-N 2.83Å; N785-K788 VanDerWaalsContact O-N 3.11Å; E786-K788 VanDerWaalsContact C-N 3.31Å; E786-K788 PolarHBondContact O-N 2.89Å; K788-A791 PolarHBondContact O-N 3.39Å; K788-F792 PolarHBondContact O-N 2.91Å
789	Y	85.5	Confident	77.6	Confident	99 Å²	99	63.8 Å²	63.8	39%	0.388	33%	0.331	S	S	.	.	H	α-helix	trans	-64.3	-40.9	178.5	-66.5	-66.7	0	0	0	112.1	N785 E786 F792 T793 P836	N785-Y789 HydrophobicContact CB-CE2 4.11Å; N785-Y789 WeakPolarHBondContact O-CD2 3.45Å; E786-Y789 PolarHBondContact O-N 3.22Å; Y789-F792 PolarHBondContact O-N 3.05Å; Y789-T793 WeakPolarHBondContact O-CB 3.48Å; Y789-T793 PolarHBondContact O-N 3.44Å; Y789-T793 PolarHBondContact O-OG1 3.21Å; Y789-P836 HydrophobicContact CD1-CG 3.7Å; Y789-P836 HydrophobicContact CD2-CB 4.29Å; Y789-P836 HydrophobicContact CD2-CG 4.16Å; Y789-P836 HydrophobicContact CE1-CB 4.21Å; Y789-P836 HydrophobicContact CE1-CG 3.56Å; Y789-P836 HydrophobicContact CE2-CB 3.89Å; Y789-P836 HydrophobicContact CE2-CG 4.03Å; Y789-P836 HydrophobicContact CG-CG 4.01Å
790	I	86	Confident	78.8	Confident	3 Å²	3	59.4 Å²	59.4	2%	0.015	31%	0.307	C	S	.	.	H	α-helix	trans	-65.2	-42.8	175.8	-61	164.7	0	0	0	111	L678 K681 T682 I685 E786 F792 T793 M794 M833	L678-I790 HydrophobicContact CD2-CG2 4.01Å; K681-I790 HydrophobicContact CD-CD1 4.34Å; T682-I790 HydrophobicContact CG2-CG2 3.48Å; T682-I790 VanDerWaalsContact CG2-CG2 3.48Å; I685-I790 HydrophobicContact CD1-CD1 4.13Å; E786-I790 HydrophobicContact CG-CD1 3.87Å; E786-I790 HydrophobicContact CG-CG1 4.37Å; E786-I790 WeakPolarHBondContact O-CG1 3.35Å; E786-I790 PolarHBondContact O-N 3.07Å; E786-I790 VanDerWaalsContact O-N 3.11Å; I790-F792 PolarHBondContact O-N 3.42Å; I790-T793 WeakPolarHBondContact O-CB 3.29Å; I790-T793 PolarHBondContact O-N 3.06Å; I790-M794 HydrophobicContact CG2-CG 4.38Å; I790-M794 WeakPolarHBondContact O-CG 3.35Å; I790-M794 PolarHBondContact O-N 3.23Å; I790-M833 HydrophobicContact CG1-SD 4.05Å
791	A	85.1	Confident	79.9	Confident	7 Å²	7	59.1 Å²	59.1	6%	0.058	30%	0.302	C	S	.	.	H	α-helix	trans	-61.2	-43.7	176.6	0	0	0	0	0	112.5	A774 A787 K788 M794 Y795	A774-A791 HydrophobicContact CB-CB 4.32Å; A787-A791 PolarHBondContact O-N 3.04Å; A787-A791 VanDerWaalsContact O-N 3.08Å; K788-A791 PolarHBondContact O-N 3.39Å; A791-M794 PolarHBondContact O-N 3.01Å; A791-Y795 HydrophobicContact CB-CE2 4.18Å; A791-Y795 WeakPolarHBondContact O-CD2 3.39Å; A791-Y795 VanDerWaalsContact O-CG 3.25Å; A791-Y795 PolarHBondContact O-N 3.41Å
792	F	87.4	Confident	81.4	Confident	121 Å²	121	60.6 Å²	60.6	53%	0.531	30%	0.303	S	S	.	.	H	α-helix	trans	-61.4	-47.3	174.7	-176.1	-104.2	0	0	0	112.1	K788 Y789 I790 M794 Y795 T796 C832	K788-F792 PolarHBondContact O-N 2.91Å; Y789-F792 PolarHBondContact O-N 3.05Å; I790-F792 PolarHBondContact O-N 3.42Å; F792-M794 VanDerWaalsContact C-N 3.29Å; F792-M794 PolarHBondContact O-N 3.28Å; F792-Y795 PolarHBondContact O-N 3.19Å; F792-T796 PolarHBondContact O-N 3.38Å; F792-T796 VanDerWaalsContact O-N 3.12Å; F792-T796 PolarHBondContact O-OG1 2.77Å; F792-C832 HydrophobicContact CD1-CB 4.18Å; F792-C832 VanDerWaalsContact CE1-SG 3.6Å
793	T	90.2	Very high	83.2	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-51.5	-50.5	174.5	-51.1	0	0	0	0	110.6	Y789 I790 T796 T797 V828 A829 C832 M833	Y789-T793 WeakPolarHBondContact O-CB 3.48Å; Y789-T793 PolarHBondContact O-N 3.44Å; Y789-T793 PolarHBondContact O-OG1 3.21Å; I790-T793 WeakPolarHBondContact O-CB 3.29Å; I790-T793 PolarHBondContact O-N 3.06Å; T793-T796 PolarHBondContact O-N 2.84Å; T793-T797 WeakPolarHBondContact O-CG2 3.36Å; T793-T797 PolarHBondContact O-N 3.5Å; T793-T797 PolarHBondContact O-OG1 3.32Å; T793-V828 HydrophobicContact CG2-CG1 4.2Å; T793-A829 HydrophobicContact CG2-CB 4.44Å; T793-C832 HydrophobicContact CG2-CB 4.43Å; T793-C832 WeakPolarHBondContact OG1-CB 3.34Å; T793-M833 HydrophobicContact CG2-CG 4.37Å; T793-M833 WeakPolarHBondContact OG1-CG 3.31Å
794	M	89.5	Confident	85.1	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.1	-46.5	-176.7	-70.4	-46.9	-44.8	0	0	112.8	Y675 L678 I767 C770 A774 I790 A791 F792 T796 T797 C798	Y675-M794 HydrophobicContact CD1-CE 4.26Å; Y675-M794 HydrophobicContact CE1-CE 4.22Å; L678-M794 HydrophobicContact CD1-SD 4.13Å; I767-M794 HydrophobicContact CB-CE 4.32Å; I767-M794 HydrophobicContact CG1-CE 4.47Å; I767-M794 HydrophobicContact CG2-CE 3.92Å; C770-M794 HydrophobicContact CB-CE 3.37Å; C770-M794 HydrophobicContact CB-CG 4.02Å; C770-M794 HydrophobicContact CB-SD 3.49Å; C770-M794 WeakPolarHBondContact CB-SD 3.39Å; A774-M794 HydrophobicContact CB-CG 4.3Å; I790-M794 HydrophobicContact CG2-CG 4.38Å; I790-M794 WeakPolarHBondContact O-CG 3.35Å; I790-M794 PolarHBondContact O-N 3.23Å; A791-M794 PolarHBondContact O-N 3.01Å; F792-M794 VanDerWaalsContact C-N 3.29Å; F792-M794 PolarHBondContact O-N 3.28Å; M794-T796 VanDerWaalsContact C-N 3.34Å; M794-T796 PolarHBondContact O-N 2.73Å; M794-T797 WeakPolarHBondContact CA-OG1 3.34Å; M794-T797 PolarHBondContact O-N 3.05Å; M794-T797 PolarHBondContact O-OG1 2.94Å; M794-C798 PolarHBondContact O-N 3.36Å; M794-C798 PolarHBondContact O-SG 3.28Å; M794-C798 VanDerWaalsContact O-SG 3.35Å
795	Y	89.9	Confident	86.5	Confident	93 Å²	93	53.6 Å²	53.6	37%	0.365	27%	0.268	S	S	.	.	H	α-helix	trans	-59.8	-42.9	179.3	-60.4	-36.3	0	0	0	112.1	T771 A791 F792 C798 I799	T771-Y795 HydrophobicContact CG2-CD1 4.11Å; T771-Y795 HydrophobicContact CG2-CE1 4.01Å; A791-Y795 HydrophobicContact CB-CE2 4.18Å; A791-Y795 WeakPolarHBondContact O-CD2 3.39Å; A791-Y795 VanDerWaalsContact O-CG 3.25Å; A791-Y795 PolarHBondContact O-N 3.41Å; F792-Y795 PolarHBondContact O-N 3.19Å; Y795-C798 WeakPolarHBondContact O-CB 3.37Å; Y795-C798 PolarHBondContact O-N 2.96Å; Y795-I799 PolarHBondContact O-N 3.2Å
796	T	91.3	Very high	87.6	Confident	40 Å²	40	53 Å²	53	25%	0.245	27%	0.27	C	S	.	.	H	α-helix	trans	-66.4	-40.8	176.8	-57	0	0	0	0	111.8	F792 T793 M794 C798 I799 I800 V828	F792-T796 PolarHBondContact O-N 3.38Å; F792-T796 VanDerWaalsContact O-N 3.12Å; F792-T796 PolarHBondContact O-OG1 2.77Å; T793-T796 PolarHBondContact O-N 2.84Å; M794-T796 VanDerWaalsContact C-N 3.34Å; M794-T796 PolarHBondContact O-N 2.73Å; T796-C798 VanDerWaalsContact C-N 3.33Å; T796-C798 PolarHBondContact O-N 3.44Å; T796-I799 PolarHBondContact O-N 3.33Å; T796-I800 HydrophobicContact CG2-CD1 4.38Å; T796-I800 PolarHBondContact O-N 3.2Å; T796-V828 HydrophobicContact CG2-CB 4.49Å; T796-V828 HydrophobicContact CG2-CG1 3.89Å; T796-V828 HydrophobicContact CG2-CG2 3.74Å
797	T	90.8	Very high	88.3	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.9	-33.2	174.6	55.8	0	0	0	0	113.3	Y675 T793 M794 I799 I800 W801 V828	Y675-T797 HydrophobicContact CE1-CG2 4.37Å; T793-T797 WeakPolarHBondContact O-CG2 3.36Å; T793-T797 PolarHBondContact O-N 3.5Å; T793-T797 PolarHBondContact O-OG1 3.32Å; M794-T797 WeakPolarHBondContact CA-OG1 3.34Å; M794-T797 PolarHBondContact O-N 3.05Å; M794-T797 PolarHBondContact O-OG1 2.94Å; T797-I799 VanDerWaalsContact C-N 3.32Å; T797-I799 PolarHBondContact O-N 3.26Å; T797-I800 PolarHBondContact O-N 3.09Å; T797-W801 VanDerWaalsContact O-CD1 3.26Å; T797-W801 PolarHBondContact O-N 3.18Å; T797-W801 VanDerWaalsContact O-N 3.09Å; T797-V828 HydrophobicContact CG2-CB 4.38Å; T797-V828 HydrophobicContact CG2-CG1 3.96Å
798	C	90.7	Very high	88.9	Confident	22 Å²	22	55.6 Å²	55.6	15%	0.149	28%	0.282	C	S	.	.	H	α-helix	trans	-61.1	-40.6	173.2	-70.8	0	0	0	0	111.8	I767 T771 M794 Y795 T796 L802	I767-C798 WeakPolarHBondContact CG2-SG 3.34Å; T771-C798 PolarHBondContact OG1-SG 3.41Å; M794-C798 PolarHBondContact O-N 3.36Å; M794-C798 PolarHBondContact O-SG 3.28Å; M794-C798 VanDerWaalsContact O-SG 3.35Å; Y795-C798 WeakPolarHBondContact O-CB 3.37Å; Y795-C798 PolarHBondContact O-N 2.96Å; T796-C798 VanDerWaalsContact C-N 3.33Å; T796-C798 PolarHBondContact O-N 3.44Å; C798-L802 WeakPolarHBondContact O-CB 3.33Å; C798-L802 WeakPolarHBondContact O-CD1 3.34Å; C798-L802 VanDerWaalsContact O-CG 3.23Å; C798-L802 WeakPolarHBondContact O-CG 3.27Å; C798-L802 PolarHBondContact O-N 3.37Å
799	I	92.3	Very high	89.1	Confident	118 Å²	118	52.8 Å²	52.8	61%	0.605	27%	0.27	S	S	*	.	H	α-helix	trans	-65.9	-45.2	179	-64.4	167.3	0	0	0	110.6	Y795 T796 T797 W801 L802 A803	Y795-I799 PolarHBondContact O-N 3.2Å; T796-I799 PolarHBondContact O-N 3.33Å; T797-I799 VanDerWaalsContact C-N 3.32Å; T797-I799 PolarHBondContact O-N 3.26Å; I799-W801 PolarHBondContact O-N 2.88Å; I799-L802 PolarHBondContact O-N 2.8Å; I799-A803 WeakPolarHBondContact O-CB 3Å; I799-A803 PolarHBondContact O-N 2.87Å
800	I	92.2	Very high	89	Confident	29 Å²	29	51.5 Å²	51.5	15%	0.149	29%	0.287	C	S	.	.	H	α-helix	trans	-58.7	-49.9	178.4	-66	167.9	0	0	0	110.9	T796 T797 L802 A803 F804 L824 V828	T796-I800 HydrophobicContact CG2-CD1 4.38Å; T796-I800 PolarHBondContact O-N 3.2Å; T797-I800 PolarHBondContact O-N 3.09Å; I800-L802 PolarHBondContact O-N 3.17Å; I800-A803 PolarHBondContact O-N 3.12Å; I800-F804 PolarHBondContact O-N 2.82Å; I800-L824 HydrophobicContact CD1-CB 4.26Å; I800-V828 HydrophobicContact CD1-CG2 3.86Å
801	W	89.6	Confident	88.9	Confident	29 Å²	29	52.7 Å²	52.7	11%	0.11	30%	0.295	C	S	.	.	H	α-helix	trans	-71.6	-27.5	-178.1	-75.6	111.7	0	0	0	114	Y675 L760 I767 T797 I799 F804 V822 S825	Y675-W801 AromaticContact CE2-NE1 3.88Å; Y675-W801 AromaticContact CZ-NE1 3.82Å; Y675-W801 PolarHBondContact OH-NE1 3.19Å; L760-W801 HydrophobicContact CD1-CZ3 4.28Å; L760-W801 HydrophobicContact CD2-CH2 3.67Å; L760-W801 HydrophobicContact CD2-CZ3 3.61Å; I767-W801 HydrophobicContact CD1-CB 4.4Å; I767-W801 HydrophobicContact CD1-CD2 4.41Å; I767-W801 HydrophobicContact CD1-CG 3.81Å; T797-W801 VanDerWaalsContact O-CD1 3.26Å; T797-W801 PolarHBondContact O-N 3.18Å; T797-W801 VanDerWaalsContact O-N 3.09Å; I799-W801 PolarHBondContact O-N 2.88Å; W801-F804 HydrophobicContact CE3-CB 4.33Å; W801-F804 HydrophobicContact CE3-CD1 4.12Å; W801-F804 HydrophobicContact CE3-CG 4.26Å; W801-F804 HydrophobicContact CZ3-CD1 4.17Å; W801-F804 HydrophobicContact CZ3-CG 4.34Å; W801-V822 HydrophobicContact CH2-CG2 4.37Å; W801-S825 PolarHBondContact NE1-OG 3.2Å
802	L	89.1	Confident	88.5	Confident	134 Å²	134	59.8 Å²	59.8	70%	0.702	33%	0.332	S	S	*	.	H	α-helix	trans	-71.3	-35.3	170.6	-74.2	170	0	0	0	112.2	C798 I799 I800 P806	C798-L802 WeakPolarHBondContact O-CB 3.33Å; C798-L802 WeakPolarHBondContact O-CD1 3.34Å; C798-L802 VanDerWaalsContact O-CG 3.23Å; C798-L802 WeakPolarHBondContact O-CG 3.27Å; C798-L802 PolarHBondContact O-N 3.37Å; I799-L802 PolarHBondContact O-N 2.8Å; I800-L802 PolarHBondContact O-N 3.17Å; L802-P806 VanDerWaalsContact O-CD 3.28Å; L802-P806 WeakPolarHBondContact O-CD 3.45Å
803	A	90.7	Very high	88.3	Confident	45 Å²	45	61.9 Å²	61.9	37%	0.372	34%	0.338	S	S	.	.	H	α-helix	trans	-73.3	-33.9	175.8	0	0	0	0	0	112.9	I799 I800 V805 P806 I807	I799-A803 WeakPolarHBondContact O-CB 3Å; I799-A803 PolarHBondContact O-N 2.87Å; I800-A803 PolarHBondContact O-N 3.12Å; A803-V805 PolarHBondContact O-N 2.69Å; A803-P806 VanDerWaalsContact O-CD 3.31Å; A803-P806 WeakPolarHBondContact O-CD 3.43Å; A803-P806 WeakPolarHBondContact O-CG 3.48Å; A803-I807 WeakPolarHBondContact O-CD1 3.13Å; A803-I807 VanDerWaalsContact O-CG1 3.29Å; A803-I807 WeakPolarHBondContact O-CG1 3.28Å
804	F	90.1	Very high	88.1	Confident	9 Å²	9	65.5 Å²	65.5	4%	0.039	35%	0.353	C	S	.	.	H	α-helix	trans	-55.9	-46	178.7	165.9	-95.9	0	0	0	113	M756 L760 I800 W801 I807 Y808 T817 S821	M756-F804 HydrophobicContact CE-CZ 4.3Å; L760-F804 HydrophobicContact CD1-CD1 4.27Å; L760-F804 HydrophobicContact CD1-CE1 3.35Å; L760-F804 HydrophobicContact CD1-CZ 3.74Å; I800-F804 PolarHBondContact O-N 2.82Å; W801-F804 HydrophobicContact CE3-CB 4.33Å; W801-F804 HydrophobicContact CE3-CD1 4.12Å; W801-F804 HydrophobicContact CE3-CG 4.26Å; W801-F804 HydrophobicContact CZ3-CD1 4.17Å; W801-F804 HydrophobicContact CZ3-CG 4.34Å; F804-I807 PolarHBondContact O-N 3.5Å; F804-Y808 HydrophobicContact CE1-CD2 4.49Å; F804-Y808 HydrophobicContact CE1-CG 4.21Å; F804-Y808 AromaticContact CE2-CD2 3.77Å; F804-Y808 HydrophobicContact CE2-CD2 3.77Å; F804-Y808 HydrophobicContact CE2-CG 4.1Å; F804-Y808 HydrophobicContact CZ-CD1 4.48Å; F804-Y808 AromaticContact CZ-CD2 3.49Å; F804-Y808 HydrophobicContact CZ-CD2 3.49Å; F804-Y808 VanDerWaalsContact CZ-CD2 3.49Å; F804-Y808 HydrophobicContact CZ-CE2 4.29Å; F804-Y808 AromaticContact CZ-CG 3.61Å; F804-Y808 HydrophobicContact CZ-CG 3.61Å; F804-Y808 WeakPolarHBondContact O-CB 3.44Å; F804-Y808 PolarHBondContact O-N 2.7Å; F804-T817 HydrophobicContact CD2-CG2 4.06Å; F804-T817 HydrophobicContact CE2-CG2 4.22Å; F804-S821 WeakPolarHBondContact CD2-OG 3.37Å
805	V	87.1	Confident	88	Confident	75 Å²	75	68 Å²	68	46%	0.455	37%	0.366	S	S	.	.	H	α-helix	trans	-55.9	-55.9	-171.9	177.3	0	0	0	0	113.3	A803 I807 Y808 F809	A803-V805 PolarHBondContact O-N 2.69Å; V805-I807 VanDerWaalsContact C-N 3.34Å; V805-I807 PolarHBondContact O-N 3.13Å; V805-Y808 PolarHBondContact O-N 3.22Å; V805-F809 HydrophobicContact CG1-CD2 4.18Å; V805-F809 HydrophobicContact CG1-CE2 4.35Å; V805-F809 WeakPolarHBondContact O-CD2 3.22Å; V805-F809 PolarHBondContact O-N 2.86Å
806	P	89.6	Confident	88	Confident	84 Å²	84	64.5 Å²	64.5	55%	0.545	35%	0.353	S	S	.	.	H	α-helix	trans	-65.2	-33.6	178.7	25.1	-34.6	0	0	0	113.2	L802 A803 G810	L802-P806 VanDerWaalsContact O-CD 3.28Å; L802-P806 WeakPolarHBondContact O-CD 3.45Å; A803-P806 VanDerWaalsContact O-CD 3.31Å; A803-P806 WeakPolarHBondContact O-CD 3.43Å; A803-P806 WeakPolarHBondContact O-CG 3.48Å; P806-G810 PolarHBondContact O-N 3.02Å
807	I	90.5	Very high	87.9	Confident	87 Å²	87	63.5 Å²	63.5	45%	0.446	35%	0.347	S	S	.	.	H	α-helix	trans	-70.4	-39	-179.7	-56.5	169	0	0	0	110.7	A803 F804 V805 S811 T817	A803-I807 WeakPolarHBondContact O-CD1 3.13Å; A803-I807 VanDerWaalsContact O-CG1 3.29Å; A803-I807 WeakPolarHBondContact O-CG1 3.28Å; F804-I807 PolarHBondContact O-N 3.5Å; V805-I807 VanDerWaalsContact C-N 3.34Å; V805-I807 PolarHBondContact O-N 3.13Å; I807-S811 WeakPolarHBondContact O-CB 3.26Å; I807-S811 PolarHBondContact O-N 2.03Å; I807-S811 PolarHBondContact O-OG 3.37Å; I807-T817 HydrophobicContact CB-CG2 3.96Å; I807-T817 HydrophobicContact CG2-CG2 3.54Å
808	Y	87.7	Confident	87.8	Confident	16 Å²	16	63.7 Å²	63.7	6%	0.063	35%	0.349	C	S	.	.	H	α-helix	trans	-65.9	-38.1	177.8	-178.5	-90.4	0	0	0	113	M756 F804 V805 K814	M756-Y808 HydrophobicContact CE-CE2 4Å; M756-Y808 HydrophobicContact CG-CE1 4.2Å; M756-Y808 HydrophobicContact CG-CE2 4.22Å; F804-Y808 HydrophobicContact CE1-CD2 4.49Å; F804-Y808 HydrophobicContact CE1-CG 4.21Å; F804-Y808 AromaticContact CE2-CD2 3.77Å; F804-Y808 HydrophobicContact CE2-CD2 3.77Å; F804-Y808 HydrophobicContact CE2-CG 4.1Å; F804-Y808 HydrophobicContact CZ-CD1 4.48Å; F804-Y808 AromaticContact CZ-CD2 3.49Å; F804-Y808 HydrophobicContact CZ-CD2 3.49Å; F804-Y808 VanDerWaalsContact CZ-CD2 3.49Å; F804-Y808 HydrophobicContact CZ-CE2 4.29Å; F804-Y808 AromaticContact CZ-CG 3.61Å; F804-Y808 HydrophobicContact CZ-CG 3.61Å; F804-Y808 WeakPolarHBondContact O-CB 3.44Å; F804-Y808 PolarHBondContact O-N 2.7Å; V805-Y808 PolarHBondContact O-N 3.22Å; Y808-K814 HydrophobicContact CD2-CB 4.1Å; Y808-K814 HydrophobicContact CD2-CG 4.33Å; Y808-K814 HydrophobicContact CE1-CD 4.41Å; Y808-K814 HydrophobicContact CE2-CB 3.67Å; Y808-K814 HydrophobicContact CE2-CD 4.43Å; Y808-K814 HydrophobicContact CE2-CG 4.1Å; Y808-K814 WeakPolarHBondContact O-CE 3.27Å
809	F	86.2	Confident	87.8	Confident	98 Å²	98	62.7 Å²	62.7	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-85.3	-29.1	178.5	-74.1	-65.8	0	0	0	113.9	V757 V805	V757-F809 HydrophobicContact CG2-CE2 4.21Å; V757-F809 HydrophobicContact CG2-CZ 3.66Å; V805-F809 HydrophobicContact CG1-CD2 4.18Å; V805-F809 HydrophobicContact CG1-CE2 4.35Å; V805-F809 WeakPolarHBondContact O-CD2 3.22Å; V805-F809 PolarHBondContact O-N 2.86Å
810	G	82.3	Confident	87.8	Confident	72 Å²	72	59.4 Å²	59.4	74%	0.742	32%	0.323	S	S	*	.	S	Bend	trans	-87.1	3.4	-179.5	0	0	0	0	0	115.6	P806	P806-G810 PolarHBondContact O-N 3.02Å
811	S	83.9	Confident	87.7	Confident	28 Å²	28	58.7 Å²	58.7	20%	0.196	32%	0.321	C	S	.	.			trans	-135.6	155.5	-177.2	73.4	0	0	0	0	113.8	I807 Y813 K814	I807-S811 WeakPolarHBondContact O-CB 3.26Å; I807-S811 PolarHBondContact O-N 2.03Å; I807-S811 PolarHBondContact O-OG 3.37Å; S811-Y813 VanDerWaalsContact C-N 3.35Å; S811-K814 WeakPolarHBondContact O-CE 3.35Å; S811-K814 WeakPolarHBondContact O-CG 3.49Å
812	N	78.3	Confident	87.8	Confident	155 Å²	155	57.4 Å²	57.4	83%	0.829	32%	0.316	S	S	*	.	S	Bend	trans	-79.4	-19.9	172	-66	-22.8	0	0	0	112.1	K814	N812-K814 PolarHBondContact O-N 3.06Å
813	Y	81.8	Confident	88	Confident	165 Å²	165	51 Å²	51	65%	0.647	28%	0.283	S	S	*	.			trans	-83	36.8	-174.9	-61.5	-66.3	0	0	0	114.3	S811 I815 I816 T817	S811-Y813 VanDerWaalsContact C-N 3.35Å; Y813-I815 PolarHBondContact O-N 3.41Å; Y813-I815 VanDerWaalsContact O-N 3.09Å; Y813-I816 HydrophobicContact CD1-CD1 3.89Å; Y813-I816 HydrophobicContact CG-CD1 4.4Å; Y813-I816 PolarHBondContact O-N 3.1Å; Y813-T817 PolarHBondContact O-N 3.3Å; Y813-T817 PolarHBondContact O-OG1 2.76Å
814	K	86.6	Confident	88.1	Confident	76 Å²	76	52.7 Å²	52.7	33%	0.33	29%	0.285	S	S	.	.	H	α-helix	trans	-50.9	-38.7	-172.2	-66.7	179.6	-179.6	172.9	0	114.4	Y808 S811 N812 T818	Y808-K814 HydrophobicContact CD2-CB 4.1Å; Y808-K814 HydrophobicContact CD2-CG 4.33Å; Y808-K814 HydrophobicContact CE1-CD 4.41Å; Y808-K814 HydrophobicContact CE2-CB 3.67Å; Y808-K814 HydrophobicContact CE2-CD 4.43Å; Y808-K814 HydrophobicContact CE2-CG 4.1Å; Y808-K814 WeakPolarHBondContact O-CE 3.27Å; S811-K814 WeakPolarHBondContact O-CE 3.35Å; S811-K814 WeakPolarHBondContact O-CG 3.49Å; N812-K814 PolarHBondContact O-N 3.06Å; K814-T818 WeakPolarHBondContact O-CB 3.33Å; K814-T818 PolarHBondContact O-N 2.68Å; K814-T818 VanDerWaalsContact O-N 3.09Å; K814-T818 PolarHBondContact O-OG1 3.02Å
815	I	88	Confident	88.2	Confident	52 Å²	52	52.4 Å²	52.4	27%	0.267	28%	0.284	S	S	.	.	H	α-helix	trans	-65.5	-50.6	178.5	-61.4	178.3	0	0	0	110.5	L589 L651 Y813 T818 S819	L589-I815 HydrophobicContact CD2-CG2 4.09Å; L651-I815 HydrophobicContact CB-CG2 3.9Å; L651-I815 HydrophobicContact CD2-CG2 4.42Å; L651-I815 WeakPolarHBondContact O-CG2 3.43Å; Y813-I815 PolarHBondContact O-N 3.41Å; Y813-I815 VanDerWaalsContact O-N 3.09Å; I815-T818 PolarHBondContact O-N 2.74Å; I815-S819 WeakPolarHBondContact O-CB 3.03Å; I815-S819 PolarHBondContact O-N 2.89Å
816	I	89.5	Confident	88.5	Confident	20 Å²	20	49 Å²	49	10%	0.103	26%	0.264	C	S	.	.	H	α-helix	trans	-63.6	-47.5	-179.6	-57	174.2	0	0	0	110.2	L589 E595 Y813 T818 S819 F820	L589-I816 HydrophobicContact CD1-CD1 3.86Å; L589-I816 HydrophobicContact CD1-CG1 4.24Å; L589-I816 HydrophobicContact CD2-CD1 4.47Å; L589-I816 HydrophobicContact CD2-CG1 3.93Å; E595-I816 HydrophobicContact CB-CD1 3.92Å; E595-I816 HydrophobicContact CB-CG2 4.2Å; E595-I816 HydrophobicContact CG-CD1 4.38Å; Y813-I816 HydrophobicContact CD1-CD1 3.89Å; Y813-I816 HydrophobicContact CG-CD1 4.4Å; Y813-I816 PolarHBondContact O-N 3.1Å; I816-T818 VanDerWaalsContact C-N 3.3Å; I816-T818 PolarHBondContact O-N 2.85Å; I816-S819 WeakPolarHBondContact O-CB 3.43Å; I816-S819 PolarHBondContact O-N 3.18Å; I816-F820 HydrophobicContact CG2-CD2 3.71Å; I816-F820 HydrophobicContact CG2-CE2 3.64Å; I816-F820 WeakPolarHBondContact O-CD2 3.4Å; I816-F820 PolarHBondContact O-N 3.36Å
817	T	89.4	Confident	88.8	Confident	19 Å²	19	47 Å²	47	12%	0.117	25%	0.25	C	S	.	.	H	α-helix	trans	-56.1	-43.3	176	-56.1	0	0	0	0	112.3	F804 I807 Y813 S821	F804-T817 HydrophobicContact CD2-CG2 4.06Å; F804-T817 HydrophobicContact CE2-CG2 4.22Å; I807-T817 HydrophobicContact CB-CG2 3.96Å; I807-T817 HydrophobicContact CG2-CG2 3.54Å; Y813-T817 PolarHBondContact O-N 3.3Å; Y813-T817 PolarHBondContact O-OG1 2.76Å; T817-S821 VanDerWaalsContact O-CB 3.25Å; T817-S821 WeakPolarHBondContact O-CB 3.26Å; T817-S821 PolarHBondContact O-N 2.8Å; T817-S821 VanDerWaalsContact O-N 3.1Å; T817-S821 PolarHBondContact O-OG 3.22Å
818	T	89.4	Confident	88.9	Confident	4 Å²	4	44.1 Å²	44.1	3%	0.025	24%	0.236	C	C	.	.	H	α-helix	trans	-65.3	-47.7	177.3	-58.5	0	0	0	0	111.2	L651 V667 M756 K814 I815 I816 F820 S821 V822	L651-T818 HydrophobicContact CD1-CG2 3.92Å; L651-T818 HydrophobicContact CD2-CG2 4.45Å; V667-T818 HydrophobicContact CG1-CG2 3.96Å; V667-T818 HydrophobicContact CG2-CG2 4.08Å; M756-T818 HydrophobicContact CE-CG2 3.55Å; M756-T818 WeakPolarHBondContact CE-OG1 3.44Å; K814-T818 WeakPolarHBondContact O-CB 3.33Å; K814-T818 PolarHBondContact O-N 2.68Å; K814-T818 VanDerWaalsContact O-N 3.09Å; K814-T818 PolarHBondContact O-OG1 3.02Å; I815-T818 PolarHBondContact O-N 2.74Å; I816-T818 VanDerWaalsContact C-N 3.3Å; I816-T818 PolarHBondContact O-N 2.85Å; T818-F820 PolarHBondContact O-N 2.65Å; T818-S821 PolarHBondContact O-N 2.04Å; T818-V822 HydrophobicContact CG2-CG2 4.42Å; T818-V822 WeakPolarHBondContact O-CG2 3.32Å; T818-V822 PolarHBondContact O-N 3.24Å
819	S	90.8	Very high	89	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.007	24%	0.235	C	C	.	.	H	α-helix	trans	-54.6	-52.8	179.9	-178.3	0	0	0	0	112.3	P648 I815 I816 S823	P648-S819 VanDerWaalsContact CB-OG 3.23Å; P648-S819 WeakPolarHBondContact CB-OG 3.41Å; P648-S819 WeakPolarHBondContact CG-OG 3.39Å; I815-S819 WeakPolarHBondContact O-CB 3.03Å; I815-S819 PolarHBondContact O-N 2.89Å; I816-S819 WeakPolarHBondContact O-CB 3.43Å; I816-S819 PolarHBondContact O-N 3.18Å; S819-S823 WeakPolarHBondContact O-CB 3.31Å; S819-S823 PolarHBondContact O-N 3.33Å; S819-S823 PolarHBondContact O-OG 3.03Å
820	F	91.4	Very high	89.3	Confident	49 Å²	49	39.3 Å²	39.3	22%	0.215	22%	0.217	C	C	.	.	H	α-helix	trans	-65.7	-41.3	176.9	-79.4	-67.9	0	0	0	112.9	V598 A599 I816 T818 S823 L824	V598-F820 HydrophobicContact CB-CZ 4.21Å; V598-F820 HydrophobicContact CG1-CE1 4.01Å; V598-F820 HydrophobicContact CG1-CZ 3.85Å; A599-F820 HydrophobicContact CB-CE1 4.07Å; A599-F820 HydrophobicContact CB-CE2 4.09Å; A599-F820 HydrophobicContact CB-CZ 3.79Å; I816-F820 HydrophobicContact CG2-CD2 3.71Å; I816-F820 HydrophobicContact CG2-CE2 3.64Å; I816-F820 WeakPolarHBondContact O-CD2 3.4Å; I816-F820 PolarHBondContact O-N 3.36Å; T818-F820 PolarHBondContact O-N 2.65Å; F820-S823 PolarHBondContact O-N 2.8Å; F820-L824 WeakPolarHBondContact O-CB 3.49Å; F820-L824 VanDerWaalsContact O-CG 3.29Å; F820-L824 WeakPolarHBondContact O-CG 3.5Å; F820-L824 PolarHBondContact O-N 3.3Å
821	S	90.9	Very high	89.7	Confident	14 Å²	14	37.5 Å²	37.5	10%	0.098	20%	0.198	C	C	.	.	H	α-helix	trans	-66.3	-42.1	-175.2	-60.6	0	0	0	0	112.7	F804 T817 T818 S825	F804-S821 WeakPolarHBondContact CD2-OG 3.37Å; T817-S821 VanDerWaalsContact O-CB 3.25Å; T817-S821 WeakPolarHBondContact O-CB 3.26Å; T817-S821 PolarHBondContact O-N 2.8Å; T817-S821 VanDerWaalsContact O-N 3.1Å; T817-S821 PolarHBondContact O-OG 3.22Å; T818-S821 PolarHBondContact O-N 2.04Å; S821-S825 VanDerWaalsContact O-CB 3.25Å; S821-S825 WeakPolarHBondContact O-CB 3.46Å; S821-S825 PolarHBondContact O-N 3.45Å; S821-S825 VanDerWaalsContact O-N 3.15Å
822	V	91.4	Very high	89.9	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.012	20%	0.197	C	C	.	.	H	α-helix	trans	-62.3	-48.7	172.8	174.3	0	0	0	0	110.1	C647 V667 W801 T818 L824 S825 V826	C647-V822 HydrophobicContact CB-CG1 4.28Å; V667-V822 HydrophobicContact CG1-CG2 4.1Å; W801-V822 HydrophobicContact CH2-CG2 4.37Å; T818-V822 HydrophobicContact CG2-CG2 4.42Å; T818-V822 WeakPolarHBondContact O-CG2 3.32Å; T818-V822 PolarHBondContact O-N 3.24Å; V822-L824 PolarHBondContact O-N 2.93Å; V822-S825 WeakPolarHBondContact O-CB 3.26Å; V822-S825 PolarHBondContact O-N 3.41Å; V822-V826 PolarHBondContact O-N 2.76Å
823	S	93.4	Very high	90.3	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.007	16%	0.159	C	C	.	.	H	α-helix	trans	-62.7	-44.6	-176.2	-56.5	0	0	0	0	112.9	P648 S819 F820 S825 V826 T827	P648-S823 WeakPolarHBondContact CG-OG 3.49Å; S819-S823 WeakPolarHBondContact O-CB 3.31Å; S819-S823 PolarHBondContact O-N 3.33Å; S819-S823 PolarHBondContact O-OG 3.03Å; F820-S823 PolarHBondContact O-N 2.8Å; S823-S825 VanDerWaalsContact C-N 3.33Å; S823-S825 PolarHBondContact O-N 3.32Å; S823-V826 WeakPolarHBondContact O-CG2 3.39Å; S823-T827 WeakPolarHBondContact O-CB 3.04Å; S823-T827 PolarHBondContact O-N 3.06Å; S823-T827 PolarHBondContact O-OG1 3.16Å
824	L	93.1	Very high	90.6	Very high	79 Å²	79	22.7 Å²	22.7	41%	0.414	13%	0.129	S	C	.	.	H	α-helix	trans	-62.1	-41.6	174.6	-72.9	169.7	0	0	0	111.3	F602 I800 F820 V822 T827 V828	F602-L824 HydrophobicContact CZ-CD2 4.1Å; I800-L824 HydrophobicContact CD1-CB 4.26Å; F820-L824 WeakPolarHBondContact O-CB 3.49Å; F820-L824 VanDerWaalsContact O-CG 3.29Å; F820-L824 WeakPolarHBondContact O-CG 3.5Å; F820-L824 PolarHBondContact O-N 3.3Å; V822-L824 PolarHBondContact O-N 2.93Å; L824-T827 WeakPolarHBondContact O-CB 3.38Å; L824-T827 PolarHBondContact O-N 2.79Å; L824-V828 WeakPolarHBondContact O-CG2 3.19Å; L824-V828 PolarHBondContact O-N 3.32Å
825	S	92.2	Very high	90.7	Very high	3 Å²	3	23 Å²	23	2%	0.021	14%	0.137	C	C	.	.	H	α-helix	trans	-64	-44.8	-179.1	-164.9	0	0	0	0	112.8	Y675 W801 S821 V822 S823 V828 A829	Y675-S825 PolarHBondContact OH-OG 3.49Å; W801-S825 PolarHBondContact NE1-OG 3.2Å; S821-S825 VanDerWaalsContact O-CB 3.25Å; S821-S825 WeakPolarHBondContact O-CB 3.46Å; S821-S825 PolarHBondContact O-N 3.45Å; S821-S825 VanDerWaalsContact O-N 3.15Å; V822-S825 WeakPolarHBondContact O-CB 3.26Å; V822-S825 PolarHBondContact O-N 3.41Å; S823-S825 VanDerWaalsContact C-N 3.33Å; S823-S825 PolarHBondContact O-N 3.32Å; S825-V828 PolarHBondContact O-N 2.99Å; S825-A829 PolarHBondContact O-N 3.31Å
826	V	93.3	Very high	90.5	Very high	5 Å²	5	21.8 Å²	21.8	3%	0.03	13%	0.133	C	C	.	.	H	α-helix	trans	-71.7	-30.1	174.4	-61.1	0	0	0	0	112.7	I641 Y645 V822 S823 V828 A829 L830	I641-V826 HydrophobicContact CB-CB 4.38Å; I641-V826 HydrophobicContact CG1-CB 4.2Å; I641-V826 HydrophobicContact CG2-CB 4.2Å; Y645-V826 HydrophobicContact CD1-CG2 3.96Å; Y645-V826 HydrophobicContact CD2-CG2 4.11Å; Y645-V826 HydrophobicContact CE1-CG2 3.79Å; Y645-V826 HydrophobicContact CE2-CG2 3.95Å; Y645-V826 HydrophobicContact CG-CG2 4.13Å; V822-V826 PolarHBondContact O-N 2.76Å; S823-V826 WeakPolarHBondContact O-CG2 3.39Å; V826-V828 PolarHBondContact O-N 2.78Å; V826-A829 PolarHBondContact O-N 3.02Å; V826-L830 WeakPolarHBondContact O-CB 3.21Å; V826-L830 PolarHBondContact O-N 3.06Å
827	T	94.3	Very high	90.3	Very high	42 Å²	42	21.8 Å²	21.8	26%	0.258	13%	0.132	S	C	.	.	H	α-helix	trans	-62.3	-40.9	172.2	-57.2	0	0	0	0	111.9	F602 Y645 S823 L824 L830 G831	F602-T827 WeakPolarHBondContact CE1-OG1 3.42Å; F602-T827 HydrophobicContact CZ-CG2 4.12Å; F602-T827 WeakPolarHBondContact CZ-OG1 3.43Å; Y645-T827 WeakPolarHBondContact CE1-OG1 3.34Å; Y645-T827 VanDerWaalsContact OH-CA 3.24Å; Y645-T827 WeakPolarHBondContact OH-CA 3.16Å; Y645-T827 WeakPolarHBondContact OH-CB 3.49Å; Y645-T827 PolarHBondContact OH-OG1 2.69Å; S823-T827 WeakPolarHBondContact O-CB 3.04Å; S823-T827 PolarHBondContact O-N 3.06Å; S823-T827 PolarHBondContact O-OG1 3.16Å; L824-T827 WeakPolarHBondContact O-CB 3.38Å; L824-T827 PolarHBondContact O-N 2.79Å; T827-L830 PolarHBondContact O-N 3.37Å; T827-G831 PolarHBondContact O-N 3.09Å
828	V	93.4	Very high	90.1	Very high	25 Å²	25	21.7 Å²	21.7	15%	0.152	13%	0.131	C	C	.	.	H	α-helix	trans	-63.6	-43.1	173.3	168	0	0	0	0	111	T793 T796 T797 I800 L824 S825 V826 L830 C832	T793-V828 HydrophobicContact CG2-CG1 4.2Å; T796-V828 HydrophobicContact CG2-CB 4.49Å; T796-V828 HydrophobicContact CG2-CG1 3.89Å; T796-V828 HydrophobicContact CG2-CG2 3.74Å; T797-V828 HydrophobicContact CG2-CB 4.38Å; T797-V828 HydrophobicContact CG2-CG1 3.96Å; I800-V828 HydrophobicContact CD1-CG2 3.86Å; L824-V828 WeakPolarHBondContact O-CG2 3.19Å; L824-V828 PolarHBondContact O-N 3.32Å; S825-V828 PolarHBondContact O-N 2.99Å; V826-V828 PolarHBondContact O-N 2.78Å; V828-L830 PolarHBondContact O-N 3.29Å; V828-C832 WeakPolarHBondContact O-CB 3.07Å; V828-C832 PolarHBondContact O-N 3.19Å; V828-C832 PolarHBondContact O-SG 3.15Å; V828-C832 VanDerWaalsContact O-SG 3.35Å
829	A	89.9	Confident	89.9	Confident	4 Å²	4	28 Å²	28	3%	0.033	16%	0.155	C	C	.	.	H	α-helix	trans	-62	-41.4	176.5	0	0	0	0	0	112.9	I641 T793 S825 V826 M833	I641-A829 HydrophobicContact CD1-CB 4.1Å; I641-A829 HydrophobicContact CG1-CB 4.34Å; T793-A829 HydrophobicContact CG2-CB 4.44Å; S825-A829 PolarHBondContact O-N 3.31Å; V826-A829 PolarHBondContact O-N 3.02Å; A829-M833 HydrophobicContact CB-CE 4.39Å; A829-M833 WeakPolarHBondContact O-CB 3.27Å; A829-M833 PolarHBondContact O-N 3.02Å
830	L	92.1	Very high	89.5	Confident	10 Å²	10	30.2 Å²	30.2	5%	0.052	17%	0.166	C	C	.	.	H	α-helix	trans	-66.2	-59.1	175.7	-173.9	63	0	0	0	111	I609 T610 V613 L638 I641 Y645 V826 T827 V828 C832 F834	I609-L830 HydrophobicContact CB-CD2 4.35Å; I609-L830 HydrophobicContact CG2-CD2 3.9Å; T610-L830 WeakPolarHBondContact OG1-CD2 3.48Å; V613-L830 HydrophobicContact CG1-CD1 4.45Å; V613-L830 HydrophobicContact CG2-CD1 4.33Å; L638-L830 HydrophobicContact CD2-CD1 4.28Å; I641-L830 HydrophobicContact CD1-CB 4.17Å; I641-L830 HydrophobicContact CD1-CD1 4.42Å; I641-L830 HydrophobicContact CG2-CB 4.34Å; I641-L830 HydrophobicContact CG2-CD2 4.49Å; Y645-L830 HydrophobicContact CE2-CD2 4.28Å; V826-L830 WeakPolarHBondContact O-CB 3.21Å; V826-L830 PolarHBondContact O-N 3.06Å; T827-L830 PolarHBondContact O-N 3.37Å; V828-L830 PolarHBondContact O-N 3.29Å; L830-C832 PolarHBondContact O-N 2.72Å; L830-F834 HydrophobicContact CD1-CB 4.38Å; L830-F834 HydrophobicContact CD1-CD2 4.37Å; L830-F834 HydrophobicContact CD1-CG 4.48Å; L830-F834 WeakPolarHBondContact O-CB 3.3Å; L830-F834 PolarHBondContact O-N 3.42Å
831	G	90.1	Very high	89.1	Confident	34 Å²	34	28.4 Å²	28.4	35%	0.351	16%	0.159	S	C	.	.	H	α-helix	trans	-62.6	-42.2	-173.1	0	0	0	0	0	113.7	T827 T835	T827-G831 PolarHBondContact O-N 3.09Å; G831-T835 WeakPolarHBondContact CA-OG1 3.13Å; G831-T835 VanDerWaalsContact O-CB 3.23Å; G831-T835 WeakPolarHBondContact O-CB 3.09Å; G831-T835 PolarHBondContact O-OG1 3.28Å
832	C	89	Confident	88.8	Confident	24 Å²	24	32.1 Å²	32.1	16%	0.162	18%	0.177	C	C	.	.	H	α-helix	trans	-81.2	-32	-175.8	-60.7	0	0	0	0	113.8	F792 T793 V828 L830	F792-C832 HydrophobicContact CD1-CB 4.18Å; F792-C832 VanDerWaalsContact CE1-SG 3.6Å; T793-C832 HydrophobicContact CG2-CB 4.43Å; T793-C832 WeakPolarHBondContact OG1-CB 3.34Å; V828-C832 WeakPolarHBondContact O-CB 3.07Å; V828-C832 PolarHBondContact O-N 3.19Å; V828-C832 PolarHBondContact O-SG 3.15Å; V828-C832 VanDerWaalsContact O-SG 3.35Å; L830-C832 PolarHBondContact O-N 2.72Å
833	M	86	Confident	88.3	Confident	8 Å²	8	34.5 Å²	34.5	4%	0.039	20%	0.196	C	C	.	.	H	α-helix	trans	-98.6	-34.6	-177.3	-70.7	-160.9	-74.4	0	0	115.5	I637 L678 I790 T793 A829	I637-M833 HydrophobicContact CD1-CE 4.29Å; I637-M833 HydrophobicContact CG2-CE 4.03Å; L678-M833 HydrophobicContact CD1-CE 4.09Å; L678-M833 HydrophobicContact CD2-CE 3.68Å; L678-M833 HydrophobicContact CD2-SD 3.51Å; L678-M833 VanDerWaalsContact CD2-SD 3.51Å; L678-M833 HydrophobicContact CG-CE 4.05Å; L678-M833 HydrophobicContact CG-SD 4.49Å; I790-M833 HydrophobicContact CG1-SD 4.05Å; T793-M833 HydrophobicContact CG2-CG 4.37Å; T793-M833 WeakPolarHBondContact OG1-CG 3.31Å; A829-M833 HydrophobicContact CB-CE 4.39Å; A829-M833 WeakPolarHBondContact O-CB 3.27Å; A829-M833 PolarHBondContact O-N 3.02Å
834	F	89.4	Confident	87.7	Confident	5 Å²	5	38 Å²	38	2%	0.022	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-35.8	-171.3	-67.7	-94.6	0	0	0	112.4	V613 F617 C634 I637 L638 I641 L830 K837 M838	V613-F834 HydrophobicContact CG1-CB 4.02Å; V613-F834 HydrophobicContact CG1-CD1 3.9Å; V613-F834 HydrophobicContact CG1-CG 4.19Å; F617-F834 HydrophobicContact CD2-CD1 4.43Å; F617-F834 HydrophobicContact CE1-CD1 4.48Å; F617-F834 HydrophobicContact CE1-CE1 4.42Å; F617-F834 AromaticContact CE2-CD1 3.67Å; F617-F834 HydrophobicContact CE2-CD1 3.67Å; F617-F834 HydrophobicContact CE2-CE1 4.31Å; F617-F834 AromaticContact CZ-CD1 3.7Å; F617-F834 HydrophobicContact CZ-CD1 3.7Å; F617-F834 HydrophobicContact CZ-CE1 4.06Å; C634-F834 HydrophobicContact CB-CE1 4.32Å; I637-F834 HydrophobicContact CB-CZ 4.22Å; I637-F834 HydrophobicContact CG2-CE2 3.7Å; I637-F834 HydrophobicContact CG2-CZ 3.85Å; L638-F834 HydrophobicContact CD1-CD1 4.45Å; L638-F834 HydrophobicContact CD1-CE1 3.81Å; L638-F834 HydrophobicContact CD1-CZ 4.39Å; L638-F834 HydrophobicContact CD2-CD1 4.06Å; L638-F834 HydrophobicContact CD2-CE1 3.78Å; L638-F834 HydrophobicContact CD2-CE2 4.3Å; L638-F834 HydrophobicContact CD2-CG 4.44Å; L638-F834 HydrophobicContact CD2-CZ 3.91Å; L638-F834 HydrophobicContact CG-CD1 4.4Å; L638-F834 HydrophobicContact CG-CE1 3.67Å; L638-F834 HydrophobicContact CG-CZ 3.76Å; I641-F834 HydrophobicContact CD1-CE2 4.05Å; L830-F834 HydrophobicContact CD1-CB 4.38Å; L830-F834 HydrophobicContact CD1-CD2 4.37Å; L830-F834 HydrophobicContact CD1-CG 4.48Å; L830-F834 WeakPolarHBondContact O-CB 3.3Å; L830-F834 PolarHBondContact O-N 3.42Å; F834-K837 WeakPolarHBondContact O-CA 3.45Å; F834-K837 WeakPolarHBondContact O-CB 3.38Å; F834-K837 PolarHBondContact O-N 3.18Å; F834-M838 WeakPolarHBondContact O-CG 3.48Å; F834-M838 PolarHBondContact O-N 3.06Å
835	T	87.6	Confident	86.9	Confident	81 Å²	81	37.9 Å²	37.9	50%	0.497	22%	0.216	S	C	.	.	H	α-helix	trans	-52.9	-45.2	176.9	-43.9	0	0	0	0	113.6	G831 K837 M838 Y839	G831-T835 WeakPolarHBondContact CA-OG1 3.13Å; G831-T835 VanDerWaalsContact O-CB 3.23Å; G831-T835 WeakPolarHBondContact O-CB 3.09Å; G831-T835 PolarHBondContact O-OG1 3.28Å; T835-K837 PolarHBondContact O-N 2.83Å; T835-M838 PolarHBondContact O-N 2.94Å; T835-Y839 WeakPolarHBondContact O-CB 3.44Å; T835-Y839 PolarHBondContact O-N 3.49Å
836	P	84.1	Confident	85.8	Confident	28 Å²	28	42.9 Å²	42.9	18%	0.182	24%	0.239	C	C	.	.	H	α-helix	trans	-62.7	-27.5	176.9	-21.6	34	0	0	0	113.4	Y789 I840	Y789-P836 HydrophobicContact CD1-CG 3.7Å; Y789-P836 HydrophobicContact CD2-CB 4.29Å; Y789-P836 HydrophobicContact CD2-CG 4.16Å; Y789-P836 HydrophobicContact CE1-CB 4.21Å; Y789-P836 HydrophobicContact CE1-CG 3.56Å; Y789-P836 HydrophobicContact CE2-CB 3.89Å; Y789-P836 HydrophobicContact CE2-CG 4.03Å; Y789-P836 HydrophobicContact CG-CG 4.01Å; P836-I840 WeakPolarHBondContact O-CD1 3.22Å; P836-I840 VanDerWaalsContact O-CG1 3.31Å; P836-I840 WeakPolarHBondContact O-CG1 3.45Å; P836-I840 PolarHBondContact O-N 3.4Å
837	K	85.2	Confident	84.5	Confident	19 Å²	19	50.5 Å²	50.5	8%	0.083	27%	0.267	C	S	.	.	H	α-helix	trans	-81.7	-43.4	178.6	-58.8	-173.2	177.3	-159.4	0	111.5	F617 V625 S629 E786 F834 T835 Y839 I840 I841	F617-K837 HydrophobicContact CZ-CB 4.14Å; F617-K837 HydrophobicContact CZ-CD 3.95Å; V625-K837 HydrophobicContact CG1-CB 4.41Å; S629-K837 PolarHBondContact OG-NZ 3.45Å; E786-K837 VanDerWaalsContact OE1-CE 3.31Å; E786-K837 WeakPolarHBondContact OE1-CE 3.04Å; E786-K837 IonicContact OE1-NZ 3.98Å; E786-K837 PolarHBondContact OE1-NZ 3.01Å; F834-K837 WeakPolarHBondContact O-CA 3.45Å; F834-K837 WeakPolarHBondContact O-CB 3.38Å; F834-K837 PolarHBondContact O-N 3.18Å; T835-K837 PolarHBondContact O-N 2.83Å; K837-Y839 VanDerWaalsContact C-N 3.31Å; K837-Y839 PolarHBondContact O-N 2.84Å; K837-I840 PolarHBondContact O-N 2.79Å; K837-I841 WeakPolarHBondContact O-CB 3.06Å; K837-I841 WeakPolarHBondContact O-CD1 3.18Å; K837-I841 VanDerWaalsContact O-CG1 3.29Å; K837-I841 WeakPolarHBondContact O-CG1 3.41Å; K837-I841 PolarHBondContact O-N 3.49Å
838	M	86.3	Confident	83.2	Confident	17 Å²	17	49.9 Å²	49.9	8%	0.084	26%	0.262	C	S	.	.	H	α-helix	trans	-61.6	-40.6	174.2	-62.1	-75.9	74.4	0	0	111.2	V613 I616 F617 F834 T835 I840 I841 I842	V613-M838 HydrophobicContact CB-SD 4.18Å; V613-M838 HydrophobicContact CG1-CG 4.35Å; V613-M838 HydrophobicContact CG1-SD 3.95Å; V613-M838 HydrophobicContact CG2-CG 4.09Å; V613-M838 HydrophobicContact CG2-SD 4.03Å; I616-M838 HydrophobicContact CB-CE 4Å; I616-M838 HydrophobicContact CB-SD 3.95Å; I616-M838 HydrophobicContact CG2-CE 3.37Å; I616-M838 HydrophobicContact CG2-SD 3.86Å; F617-M838 HydrophobicContact CD2-CE 3.46Å; F617-M838 VanDerWaalsContact CD2-CE 3.46Å; F617-M838 HydrophobicContact CD2-SD 4.08Å; F617-M838 HydrophobicContact CE2-CE 3.37Å; F617-M838 HydrophobicContact CE2-SD 4.07Å; F617-M838 HydrophobicContact CZ-CE 4.45Å; F834-M838 WeakPolarHBondContact O-CG 3.48Å; F834-M838 PolarHBondContact O-N 3.06Å; T835-M838 PolarHBondContact O-N 2.94Å; M838-I840 PolarHBondContact O-N 3.03Å; M838-I841 HydrophobicContact CE-CB 4.35Å; M838-I841 HydrophobicContact CE-CD1 3.62Å; M838-I841 PolarHBondContact O-N 3.09Å; M838-I842 WeakPolarHBondContact O-CB 3.37Å; M838-I842 WeakPolarHBondContact O-CG1 3.36Å; M838-I842 PolarHBondContact O-N 3.23Å
839	Y	84.8	Confident	82	Confident	138 Å²	138	51.9 Å²	51.9	54%	0.541	27%	0.274	S	S	.	.	H	α-helix	trans	-58.9	-43.6	173.6	-175.7	-98.6	0	0	0	112.6	T835 K837 A843 K844	T835-Y839 WeakPolarHBondContact O-CB 3.44Å; T835-Y839 PolarHBondContact O-N 3.49Å; K837-Y839 VanDerWaalsContact C-N 3.31Å; K837-Y839 PolarHBondContact O-N 2.84Å; Y839-A843 HydrophobicContact CD2-CB 3.84Å; Y839-A843 HydrophobicContact CE2-CB 3.77Å; Y839-A843 HydrophobicContact CG-CB 4.45Å; Y839-A843 CarbonylContact O-C 3.55Å; Y839-A843 WeakPolarHBondContact O-CA 3.36Å; Y839-A843 WeakPolarHBondContact O-CB 3.46Å; Y839-A843 PolarHBondContact O-N 3.38Å; Y839-K844 HydrophobicContact CD1-CG 4.44Å; Y839-K844 HydrophobicContact CE1-CB 4.41Å; Y839-K844 HydrophobicContact CE1-CG 3.71Å; Y839-K844 PolarHBondContact O-N 3.08Å
840	I	81.8	Confident	80.4	Confident	47 Å²	47	61.7 Å²	61.7	24%	0.241	31%	0.31	C	S	.	.	H	α-helix	trans	-69.5	-36.5	176.5	-64.3	165.6	0	0	0	111.8	V625 P836 K837 M838 K844 R847	V625-I840 HydrophobicContact CG2-CG2 3.76Å; P836-I840 WeakPolarHBondContact O-CD1 3.22Å; P836-I840 VanDerWaalsContact O-CG1 3.31Å; P836-I840 WeakPolarHBondContact O-CG1 3.45Å; P836-I840 PolarHBondContact O-N 3.4Å; K837-I840 PolarHBondContact O-N 2.79Å; M838-I840 PolarHBondContact O-N 3.03Å; I840-K844 CarbonylContact O-C 3.36Å; I840-R847 HydrophobicContact CG2-CB 4.17Å
841	I	83.9	Confident	78.6	Confident	11 Å²	11	65.4 Å²	65.4	6%	0.056	34%	0.337	C	S	.	.	H	α-helix	trans	-73.5	-38.3	-178.4	-70.1	161.7	0	0	0	111.9	I616 Y620 V625 V626 K837 M838	I616-I841 HydrophobicContact CG2-CG2 3.95Å; Y620-I841 HydrophobicContact CD2-CG2 4.12Å; Y620-I841 HydrophobicContact CG-CG2 4.03Å; V625-I841 HydrophobicContact CB-CG1 4.39Å; V625-I841 HydrophobicContact CG1-CD1 4.11Å; V625-I841 HydrophobicContact CG1-CG1 4.19Å; V626-I841 HydrophobicContact CG2-CD1 3.61Å; K837-I841 WeakPolarHBondContact O-CB 3.06Å; K837-I841 WeakPolarHBondContact O-CD1 3.18Å; K837-I841 VanDerWaalsContact O-CG1 3.29Å; K837-I841 WeakPolarHBondContact O-CG1 3.41Å; K837-I841 PolarHBondContact O-N 3.49Å; M838-I841 HydrophobicContact CE-CB 4.35Å; M838-I841 HydrophobicContact CE-CD1 3.62Å; M838-I841 PolarHBondContact O-N 3.09Å
842	I	83.3	Confident	76.9	Confident	92 Å²	92	66.2 Å²	66.2	47%	0.472	34%	0.341	S	S	.	.	H	α-helix	trans	-99.2	-52.6	-172.6	-58.1	172.6	0	0	0	111.8	F612 I616 M838	F612-I842 HydrophobicContact CE1-CD1 4.28Å; F612-I842 HydrophobicContact CZ-CD1 4.24Å; I616-I842 HydrophobicContact CG2-CD1 4.42Å; I616-I842 HydrophobicContact CG2-CG1 4.48Å; M838-I842 WeakPolarHBondContact O-CB 3.37Å; M838-I842 WeakPolarHBondContact O-CG1 3.36Å; M838-I842 PolarHBondContact O-N 3.23Å
843	A	82.1	Confident	75.2	Confident	52 Å²	52	68 Å²	68	43%	0.43	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-17	-170.9	0	0	0	0	0	114.2	Y839	Y839-A843 HydrophobicContact CD2-CB 3.84Å; Y839-A843 HydrophobicContact CE2-CB 3.77Å; Y839-A843 HydrophobicContact CG-CB 4.45Å; Y839-A843 CarbonylContact O-C 3.55Å; Y839-A843 WeakPolarHBondContact O-CA 3.36Å; Y839-A843 WeakPolarHBondContact O-CB 3.46Å; Y839-A843 PolarHBondContact O-N 3.38Å
844	K	79.9	Confident	73.4	Confident	73 Å²	73	71.3 Å²	71.3	32%	0.317	37%	0.367	S	S	.	.			trans	-134.7	54.2	-179.8	-73.9	-66.3	168.8	-160.4	0	115.4	Y839 I840 E846 R847	Y839-K844 HydrophobicContact CD1-CG 4.44Å; Y839-K844 HydrophobicContact CE1-CB 4.41Å; Y839-K844 HydrophobicContact CE1-CG 3.71Å; Y839-K844 PolarHBondContact O-N 3.08Å; I840-K844 CarbonylContact O-C 3.36Å; K844-E846 WeakPolarHBondContact CA-OE2 3.5Å; K844-E846 WeakPolarHBondContact CD-OE1 3.36Å; K844-E846 WeakPolarHBondContact CD-OE2 3.46Å; K844-E846 WeakPolarHBondContact CE-OE1 3.21Å; K844-E846 IonicContact NZ-OE1 3.18Å; K844-E846 PolarHBondContact NZ-OE1 3.38Å; K844-E846 PolarHBondContact O-N 3.06Å; K844-E846 VanDerWaalsContact O-N 3.14Å; K844-R847 PolarHBondContact O-N 3.16Å
845	P	75.6	Confident	71.5	Confident	78 Å²	78	76.3 Å²	76.3	51%	0.506	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-61	-22.5	-178.1	27.9	-36.4	0	0	0	113.7	R847 N848	P845-R847 PolarHBondContact O-N 2.83Å; P845-N848 WeakPolarHBondContact O-CB 3.3Å; P845-N848 PolarHBondContact O-N 3.01Å
846	E	69.1	Low	69.3	Low	108 Å²	108	76.3 Å²	76.3	51%	0.505	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-64.4	-18.9	175.1	76	-84.6	-148.6	0	0	113.2	K844	K844-E846 WeakPolarHBondContact CA-OE2 3.5Å; K844-E846 WeakPolarHBondContact CD-OE1 3.36Å; K844-E846 WeakPolarHBondContact CD-OE2 3.46Å; K844-E846 WeakPolarHBondContact CE-OE1 3.21Å; K844-E846 IonicContact NZ-OE1 3.18Å; K844-E846 PolarHBondContact NZ-OE1 3.38Å; K844-E846 PolarHBondContact O-N 3.06Å; K844-E846 VanDerWaalsContact O-N 3.14Å
847	R	65.8	Low	67.2	Low	165 Å²	165	82.3 Å²	82.3	62%	0.623	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-90.9	-1.5	173.4	-66.4	-176.8	171.1	-178	-3.5	113.5	I840 K844 P845 V849	I840-R847 HydrophobicContact CG2-CB 4.17Å; K844-R847 PolarHBondContact O-N 3.16Å; P845-R847 PolarHBondContact O-N 2.83Å; R847-V849 PolarHBondContact O-N 3.47Å; R847-V849 VanDerWaalsContact O-N 3.1Å
848	N	68.1	Low	65	Low	28 Å²	28	87.9 Å²	87.9	15%	0.15	47%	0.467	C	S	.	.			trans	-87	45.4	-179.1	-159.7	5	0	0	0	111.9	T623 P624 V625 P845	T623-N848 WeakPolarHBondContact CB-ND2 3.49Å; T623-N848 WeakPolarHBondContact CG2-ND2 3.29Å; P624-N848 VanDerWaalsContact CD-OD1 3.26Å; P624-N848 WeakPolarHBondContact CD-OD1 3.38Å; P624-N848 WeakPolarHBondContact CG-O 3.25Å; P624-N848 WeakPolarHBondContact CG-OD1 3.28Å; V625-N848 HydrophobicContact CG2-CB 4.48Å; V625-N848 VanDerWaalsContact CG2-OD1 3.25Å; V625-N848 WeakPolarHBondContact CG2-OD1 3.33Å; V625-N848 PolarHBondContact N-OD1 3.04Å; P845-N848 WeakPolarHBondContact O-CB 3.3Å; P845-N848 PolarHBondContact O-N 3.01Å
849	V	69.1	Low	62.6	Low	67 Å²	67	92.3 Å²	92.3	41%	0.406	50%	0.495	S	S	.	.			trans	-114.8	145.8	-175.6	-66.8	0	0	0	0	112.2	R847 S851 A852	R847-V849 PolarHBondContact O-N 3.47Å; R847-V849 VanDerWaalsContact O-N 3.1Å; V849-S851 VanDerWaalsContact C-N 3.28Å; V849-S851 PolarHBondContact O-N 2.69Å; V849-A852 HydrophobicContact CG2-CB 4.18Å; V849-A852 PolarHBondContact O-N 2.7Å
850	R	56.2	Low	60	Low	210 Å²	210	96.9 Å²	96.9	79%	0.792	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-64.9	-28.2	-171.3	-165.9	174.1	-176.7	174.6	-0.8	113.9	A852 F853	R850-A852 VanDerWaalsContact C-N 3.34Å; R850-F853 PolarHBondContact O-N 2.85Å
851	S	52.8	Low	57.6	Low	88 Å²	88	102.5 Å²	102.5	62%	0.615	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-65.7	-30.6	176.7	44	0	0	0	0	113.5	V849 F853 T854	V849-S851 VanDerWaalsContact C-N 3.28Å; V849-S851 PolarHBondContact O-N 2.69Å; S851-F853 PolarHBondContact O-N 3.01Å; S851-F853 VanDerWaalsContact O-N 3.08Å; S851-T854 PolarHBondContact O-N 3.3Å; S851-T854 PolarHBondContact O-OG1 3.02Å; S851-T854 VanDerWaalsContact O-OG1 3.13Å
852	A	54.6	Low	55.2	Low	52 Å²	52	110.2 Å²	110.2	43%	0.43	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-68.1	-8.2	-179.1	0	0	0	0	0	114.1	V849 R850	V849-A852 HydrophobicContact CG2-CB 4.18Å; V849-A852 PolarHBondContact O-N 2.7Å; R850-A852 VanDerWaalsContact C-N 3.34Å
853	F	54.2	Low	53	Low	61 Å²	61	112.3 Å²	112.3	27%	0.268	59%	0.59	S	S	.	*	G	3₁₀ helix	trans	-123	6.5	-174.1	-63	-81.6	0	0	0	114	V625 R850 S851	V625-F853 HydrophobicContact CG2-CE2 3.96Å; V625-F853 HydrophobicContact CG2-CZ 3.83Å; R850-F853 PolarHBondContact O-N 2.85Å; S851-F853 PolarHBondContact O-N 3.01Å; S851-F853 VanDerWaalsContact O-N 3.08Å
854	T	47.7	Very low	50.5	Low	78 Å²	78	113.2 Å²	113.2	48%	0.479	61%	0.605	S	S	.	*			trans	-105.4	118.3	-179.3	44.9	0	0	0	0	112.2	S851 S856	S851-T854 PolarHBondContact O-N 3.3Å; S851-T854 PolarHBondContact O-OG1 3.02Å; S851-T854 VanDerWaalsContact O-OG1 3.13Å; T854-S856 PolarHBondContact O-N 3.04Å
855	T	49.5	Very low	48.1	Very low	110 Å²	110	117.4 Å²	117.4	68%	0.675	63%	0.63	S	S	*	*			trans	-91	70.9	-176.7	57.9	0	0	0	0	112.6	F784	F784-T855 HydrophobicContact CD2-CG2 4.35Å; F784-T855 HydrophobicContact CE2-CG2 4.24Å
856	S	42.4	Very low	46	Very low	81 Å²	81	116.7 Å²	116.7	57%	0.566	64%	0.637	S	S	*	*			trans	-162	64.8	178.1	61.7	0	0	0	0	115.5	T854 V858	T854-S856 PolarHBondContact O-N 3.04Å; S856-V858 PolarHBondContact O-N 2.7Å
857	D	38.8	Very low	44.1	Very low	154 Å²	154	121.1 Å²	121.1	82%	0.824	66%	0.655	S	S	*	*	S	Bend	trans	-79.6	7.1	171.2	-61.5	-51.8	0	0	0	114
858	V	39.3	Very low	42.5	Very low	135 Å²	135	118.5 Å²	118.5	82%	0.818	66%	0.662	S	S	*	*			trans	-127.4	70.8	179.9	-168	0	0	0	0	111	S856	S856-V858 PolarHBondContact O-N 2.7Å
859	V	35.4	Very low	40.8	Very low	111 Å²	111	121.9 Å²	121.9	67%	0.673	69%	0.694	S	S	*	*			trans	-131.8	79.2	155.2	-173.1	0	0	0	0	108.4	M861	V859-M861 HydrophobicContact CG1-CG 3.98Å; V859-M861 PolarHBondContact O-N 3.09Å; V859-M861 VanDerWaalsContact O-N 3.1Å
860	R	30	Very low	39.1	Very low	233 Å²	233	122.8 Å²	122.8	88%	0.879	71%	0.708	S	S	*	*			trans	-77.3	90	166.9	-168.9	-179.8	-170.6	105.8	-1.1	108	H862	R860-H862 PolarHBondContact O-N 3.3Å
861	M	32.8	Very low	37.9	Very low	166 Å²	166	122.1 Å²	122.1	82%	0.818	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-61.3	129.7	170.1	-63.6	-171	82	0	0	108.9	V859	V859-M861 HydrophobicContact CG1-CG 3.98Å; V859-M861 PolarHBondContact O-N 3.09Å; V859-M861 VanDerWaalsContact O-N 3.1Å
862	H	32.4	Very low	36.7	Very low	172 Å²	172	124.1 Å²	124.1	80%	0.796	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-98.2	153.2	155.7	-113.8	143.8	0	0	0	108.7	R860	R860-H862 PolarHBondContact O-N 3.3Å
863	V	36.4	Very low	35.4	Very low	137 Å²	137	125.3 Å²	125.3	83%	0.83	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-74.6	144	-172.3	179.6	0	0	0	0	111
864	G	30.1	Very low	34.2	Very low	71 Å²	71	127.4 Å²	127.4	73%	0.732	77%	0.766	S	S	*	*			trans	-166.2	126.2	170.8	0	0	0	0	0	109.4
865	D	29.2	Very low	33.3	Very low	160 Å²	160	131.4 Å²	131.4	86%	0.856	79%	0.785	S	S	*	*			trans	-71	139.3	-158.2	-81.9	-66	0	0	0	117.5
866	G	31.8	Very low	32.4	Very low	63 Å²	63	131.4 Å²	131.4	65%	0.649	79%	0.789	S	S	*	*				68.5	106.3	115.6	0	0	0	0	0	120.2
867	K	30.2	Very low	31.9	Very low	202 Å²	202	136.6 Å²	136.6	88%	0.878	80%	0.802	S	S	*	*				-172.2	138.2	102.9	-101.7	165.6	-177.1	174.7	0	114.8
868	S	32	Very low	31.8	Very low	109 Å²	109	136.2 Å²	136.2	76%	0.762	80%	0.799	S	S	*	*			trans	49.3	115.7	139.1	-53.2	0	0	0	0	122.6
869	A	31.8	Very low	31.3	Very low	99 Å²	99	136.4 Å²	136.4	82%	0.818	80%	0.796	S	S	*	*				90.1	134.1	123.5	0	0	0	0	0	122.4
870	A	33.1	Very low	31.2	Very low	87 Å²	87	139.3 Å²	139.3	72%	0.719	80%	0.804	S	S	*	*			trans	72.6	92.9	138.9	0	0	0	0	0	121.8
871	Q	30.5	Very low	31.4	Very low	196 Å²	196	138.1 Å²	138.1	92%	0.916	81%	0.806	S	S	*	*				77.3	155.7	109.4	-157.3	159.2	-9.7	0	0	120.1
872	C	27.8	Very low	31.5	Very low	130 Å²	130	141.8 Å²	141.8	88%	0.878	81%	0.81	S	S	*	*			trans	-87.5	151.4	-171.5	-58.3	0	0	0	0	113.9
873	G	27.3	Very low	31.5	Very low	77 Å²	77	144.8 Å²	144.8	79%	0.794	81%	0.814	S	S	*	*			trans	-151.4	148.8	164.7	0	0	0	0	0	109.8
874	S	28.7	Very low	31.2	Very low	105 Å²	105	147.5 Å²	147.5	73%	0.734	82%	0.815	S	S	*	*			trans	-119.9	157	-165	-55.9	0	0	0	0	114.7
875	N	29.9	Very low	31.2	Very low	161 Å²	161	154.1 Å²	154.1	86%	0.861	82%	0.824	S	S	*	*			trans	76.8	159.8	149.1	-66.2	-15.2	0	0	0	121.7
876	S	30.2	Very low	31.3	Very low	110 Å²	110	150.9 Å²	150.9	77%	0.769	82%	0.819	S	S	*	*			trans	88.9	116.5	153.5	-144.2	0	0	0	0	120.9
877	F	32.5	Very low	31.3	Very low	191 Å²	191	156.1 Å²	156.1	84%	0.838	83%	0.83	S	S	*	*			trans	-28.8	148.3	133.8	-71.2	-112.5	0	0	0	112.7
878	L	37.2	Very low	31.3	Very low	145 Å²	145	152 Å²	152	76%	0.759	83%	0.828	S	S	*	*				-168.4	-177.8	70.1	-124.6	174.3	0	0	0	111.4
879	N	28.8	Very low	31.2	Very low	140 Å²	140	150.5 Å²	150.5	75%	0.749	83%	0.829	S	S	*	*			trans	69.9	146	173.2	-56.1	-34.3	0	0	0	114.3
880	M	33.1	Very low	31.1	Very low	172 Å²	172	153.4 Å²	153.4	85%	0.847	83%	0.831	S	S	*	*			cis	-149.6	129.5	35	-166.6	177.6	-64.5	0	0	112.9
881	F	34	Very low	30.9	Very low	208 Å²	208	152.7 Å²	152.7	91%	0.912	82%	0.824	S	S	*	*			trans	-76.8	129.7	161.4	-100.9	-91.7	0	0	0	109.7
882	R	34.2	Very low	30.9	Very low	242 Å²	242	151.2 Å²	151.2	91%	0.913	82%	0.823	S	S	*	*			trans	-162.7	144.4	142.4	-116.1	168.2	-174	-177.6	1.4	114.1
883	R	31.6	Very low	31.1	Very low	235 Å²	235	150.4 Å²	150.4	89%	0.887	82%	0.819	S	S	*	*			trans	-73.5	152.2	172.6	-51.4	165.1	179.1	154	-4	110.2
884	K	30.5	Very low	31.4	Very low	194 Å²	194	154.8 Å²	154.8	84%	0.843	82%	0.824	S	S	*	*				175.8	140.9	101.5	-107.3	-178.6	176.2	177.5	0	115.6
885	K	30.6	Very low	31.5	Very low	210 Å²	210	153.4 Å²	153.4	91%	0.913	83%	0.826	S	S	*	*			trans	60.2	154.1	147.2	-112.2	-176.4	176.7	-171.4	0	120
886	A	31	Very low	31.7	Very low	92 Å²	92	155.2 Å²	155.2	76%	0.76	83%	0.826	S	S	*	*			trans	-111.7	169.4	-178.7	0	0	0	0	0	111.7
887	I	32.2	Very low	31.9	Very low	173 Å²	173	155.2 Å²	155.2	89%	0.887	83%	0.827	S	S	*	*			trans	-136.7	150.6	162	-91.1	168.7	0	0	0	107.9
888	S	29.8	Very low	32	Very low	117 Å²	117	152.2 Å²	152.2	82%	0.818	82%	0.824	S	S	*	*			trans	-91.9	158.2	-178.6	-172.8	0	0	0	0	112.5
889	G	30.2	Very low	31.8	Very low	76 Å²	76	149.7 Å²	149.7	78%	0.784	82%	0.818	S	S	*	*			trans	-163.7	138.4	172	0	0	0	0	0	109.7
890	N	29.3	Very low	31.8	Very low	161 Å²	161	154.5 Å²	154.5	86%	0.861	83%	0.826	S	S	*	*			trans	-133.9	167.5	-159.2	-166.5	19.2	0	0	0	113.7
891	A	29.8	Very low	31.9	Very low	71 Å²	71	150.3 Å²	150.3	59%	0.587	81%	0.813	S	S	*	*			trans	81.8	123.2	160.4	0	0	0	0	0	120.7
892	N	30.5	Very low	31.9	Very low	165 Å²	165	149.2 Å²	149.2	88%	0.882	81%	0.811	S	S	*	*				49.6	154.8	127.2	-56	-3.3	0	0	0	120.5
893	S	32.3	Very low	32.1	Very low	114 Å²	114	143 Å²	143	80%	0.797	81%	0.805	S	S	*	*			cis	-154.6	-163.3	27.7	65.6	0	0	0	0	114.7
894	N	33.8	Very low	32.2	Very low	169 Å²	169	135.1 Å²	135.1	90%	0.904	80%	0.797	S	S	*	*			trans	-94.1	165.2	-163.2	-62.6	-49.1	0	0	0	116.7
895	G	29.6	Very low	33.5	Very low	76 Å²	76	131.2 Å²	131.2	78%	0.784	79%	0.792	S	S	*	*			trans	-165.3	156.1	164.2	0	0	0	0	0	113.5
896	K	33.6	Very low	33.6	Very low	198 Å²	198	131.5 Å²	131.5	86%	0.861	79%	0.787	S	S	*	*			trans	-139.2	156.4	-172.1	-61.8	-178.8	176.8	-178.8	0	114.6
897	S	34.6	Very low	33.6	Very low	111 Å²	111	134.8 Å²	134.8	78%	0.776	79%	0.786	S	S	*	*			trans	60.7	164.6	144.7	47	0	0	0	0	121.4
898	V	35.1	Very low	34.6	Very low	127 Å²	127	131.6 Å²	131.6	77%	0.77	78%	0.776	S	S	*	*			cis	-174.1	150.2	-42.3	131.2	0	0	0	0	109.9
899	S	33.3	Very low	35.7	Very low	92 Å²	92	131.6 Å²	131.6	64%	0.643	77%	0.774	S	S	*	*			trans	65.5	163.5	168.3	60.5	0	0	0	0	118.3
900	W	29	Very low	35.8	Very low	241 Å²	241	140 Å²	140	91%	0.913	78%	0.782	S	S	*	*			cis	-145.7	-165.8	28.4	-99.2	96.9	0	0	0	114.8
901	S	34.2	Very low	35.8	Very low	84 Å²	84	136.4 Å²	136.4	59%	0.587	78%	0.783	S	S	*	*			trans	-146.7	165.3	-164.2	54.3	0	0	0	0	118
902	E	35.4	Very low	35.8	Very low	186 Å²	186	136.6 Å²	136.6	87%	0.869	79%	0.792	S	S	*	*			trans	69.8	165.6	157	-90.2	-170.1	124.3	0	0	121.4
903	S	38.6	Very low	36	Very low	111 Å²	111	136.1 Å²	136.1	78%	0.776	79%	0.789	S	S	*	*			cis	-162	179	-7.2	50	0	0	0	0	112.4
904	G	32	Very low	35.9	Very low	70 Å²	70	136.2 Å²	136.2	72%	0.722	79%	0.785	S	S	*	*			trans	-176.1	154.3	169.9	0	0	0	0	0	117.6
905	P	57.8	Low	35.7	Very low	112 Å²	112	139.7 Å²	139.7	73%	0.727	79%	0.785	S	S	*	*			trans	-144.5	178.6	-141.1	44.6	-26.2	0	0	0	121.8
906	R	32.7	Very low	35.6	Very low	215 Å²	215	144.3 Å²	144.3	81%	0.811	79%	0.786	S	S	*	*			trans	85.3	156.6	161.4	-66.2	170.2	-176.5	177.4	1.4	118.4
907	H	32.5	Very low	35.3	Very low	161 Å²	161	145.1 Å²	145.1	75%	0.745	78%	0.784	S	S	*	*			cis	-158.6	172.6	-3.8	-110.2	-28.9	0	0	0	113.4
908	P	52.1	Low	35	Very low	106 Å²	106	147.7 Å²	147.7	69%	0.688	79%	0.788	S	S	*	*			trans	-102.4	-159.4	178.4	44.1	-37.6	0	0	0	113.4
909	P	53.4	Low	34.6	Very low	117 Å²	117	145.8 Å²	145.8	76%	0.76	78%	0.781	S	S	*	*			cis	-148.1	-166.6	5.4	46.3	-24.5	0	0	0	119.8
910	R	31.6	Very low	34.2	Very low	252 Å²	252	147.9 Å²	147.9	95%	0.951	79%	0.789	S	S	*	*			trans	85.7	103.8	152.9	-99.4	-169.3	-179.6	-170.3	0.8	124.9
911	G	30.7	Very low	34.1	Very low	87 Å²	87	144.6 Å²	144.6	90%	0.897	78%	0.783	S	S	*	*				112.2	124.6	129.7	0	0	0	0	0	119.8
912	G	29.6	Very low	33.7	Very low	74 Å²	74	146.9 Å²	146.9	76%	0.763	79%	0.794	S	S	*	*			trans	164.4	7.5	168.8	0	0	0	0	0	126.7
913	N	34	Very low	33.2	Very low	156 Å²	156	149.5 Å²	149.5	83%	0.834	80%	0.796	S	S	*	*			trans	59.5	155.9	166.2	-64.9	3.9	0	0	0	122.9
914	V	31.1	Very low	32.7	Very low	116 Å²	116	154.1 Å²	154.1	70%	0.703	80%	0.802	S	S	*	*			trans	53.7	138.1	173.1	-92.6	0	0	0	0	119.6
915	W	28.8	Very low	32.5	Very low	241 Å²	241	158.2 Å²	158.2	91%	0.913	80%	0.802	S	S	*	*			cis	-111.9	166.8	-5.1	-89.5	87.3	0	0	0	111.9
916	H	27.7	Very low	31.1	Very low	173 Å²	173	160.4 Å²	160.4	80%	0.801	80%	0.803	S	S	*	*			trans	-84.9	135.3	-159.1	-96.8	-100.7	0	0	0	117
917	R	27.4	Very low	31	Very low	216 Å²	216	155.1 Å²	155.1	82%	0.815	81%	0.805	S	S	*	*			trans	-75.6	168.1	152.5	-55.6	170.9	170.8	178.1	-5.2	109.9
918	L	27.3	Very low	30.9	Very low	164 Å²	164	151.3 Å²	151.3	86%	0.859	81%	0.809	S	S	*	*				-150	158.2	109.5	-136.1	73.6	0	0	0	113.1
919	S	27.1	Very low	29.8	Very low	88 Å²	88	151.2 Å²	151.2	62%	0.615	81%	0.811	S	S	*	*			trans	-156.1	169.7	172.2	58.1	0	0	0	0	108.4
920	V	26.2	Very low	28.7	Very low	136 Å²	136	152.2 Å²	152.2	82%	0.824	81%	0.81	S	S	*	*			trans	74.1	140.6	177.1	-174.3	0	0	0	0	113.9
921	H	25.4	Very low	28.5	Very low	171 Å²	171	148 Å²	148	79%	0.792	80%	0.801	S	S	*	*			cis	167.2	172.3	-18.3	-159.4	73.1	0	0	0	105.3
922	V	26.7	Very low	28.3	Very low	132 Å²	132	150.9 Å²	150.9	80%	0.8	80%	0.801	S	S	*	*			trans	88	148	166.7	-169.5	0	0	0	0	118.5
923	R	25.3	Very low	28.2	Very low	242 Å²	242	151.9 Å²	151.9	91%	0.913	80%	0.802	S	S	*	*			trans	-88.8	159.6	-164.8	-57.9	166.3	164.5	169.6	-8.6	115.9
924	K	28.2	Very low	28	Very low	207 Å²	207	151.1 Å²	151.1	90%	0.9	80%	0.803	S	S	*	*				-158.3	155.2	125.5	-148.7	-177.9	176.5	-172.7	0	112.9
925	Q	27	Very low	27.8	Very low	156 Å²	156	153.5 Å²	153.5	73%	0.729	81%	0.81	S	S	*	*			trans	-71.3	166.8	163.4	-73.4	150.6	-97.6	0	0	110.9
926	E	29.3	Very low	27.7	Very low	159 Å²	159	153.2 Å²	153.2	74%	0.743	81%	0.808	S	S	*	*			cis	-160.9	165.4	15.2	-145.1	142	-124.9	0	0	113.2
927	A	29.7	Very low	27.8	Very low	104 Å²	104	150.2 Å²	150.2	86%	0.86	81%	0.805	S	S	*	*			trans	56.6	140	153.9	0	0	0	0	0	122.8
928	G	30.2	Very low	27.7	Very low	80 Å²	80	147 Å²	147	83%	0.825	80%	0.803	S	S	*	*			trans	147.9	70	159.4	0	0	0	0	0	119.7
929	S	30.3	Very low	27.8	Very low	104 Å²	104	144.2 Å²	144.2	73%	0.727	79%	0.792	S	S	*	*			trans	10.4	125.1	161.4	-163.5	0	0	0	0	122.2
930	N	28.8	Very low	27.6	Very low	138 Å²	138	147.4 Å²	147.4	74%	0.738	80%	0.803	S	S	*	*				-178	139.7	110	-94.6	-1.8	0	0	0	115.9
931	Q	28.2	Very low	27.8	Very low	165 Å²	165	147.3 Å²	147.3	77%	0.771	80%	0.803	S	S	*	*			trans	57	146.1	146.7	-72.4	-175.2	-23.9	0	0	125
932	T	26.8	Very low	28.5	Very low	147 Å²	147	144 Å²	144	90%	0.902	80%	0.797	S	S	*	*			trans	70.7	160.6	156.2	44.9	0	0	0	0	119.8
933	A	26.5	Very low	28.4	Very low	94 Å²	94	144.9 Å²	144.9	78%	0.777	80%	0.797	S	S	*	*			trans	-108.3	140.2	-157.1	0	0	0	0	0	114.4
934	V	29.5	Very low	29.3	Very low	140 Å²	140	137.7 Å²	137.7	85%	0.848	78%	0.781	S	S	*	*			trans	-142.5	139.4	147.5	-179.2	0	0	0	0	106.9
935	I	28	Very low	29.3	Very low	166 Å²	166	136.3 Å²	136.3	85%	0.851	78%	0.778	S	S	*	*			trans	-78	150	-178.2	-67.2	177.9	0	0	0	111.1
936	R	26.6	Very low	29.1	Very low	235 Å²	235	133.8 Å²	133.8	89%	0.887	78%	0.777	S	S	*	*			trans	-88.1	150.4	-157.5	-65.3	179.2	179.3	164.4	-0.4	115.4
937	P	29.8	Very low	28.9	Very low	111 Å²	111	132.5 Å²	132.5	72%	0.721	78%	0.784	S	S	*	*			trans	-115.4	-169.8	176.5	43.9	-36.3	0	0	0	114.7
938	L	25.2	Very low	28.6	Very low	148 Å²	148	136.1 Å²	136.1	78%	0.775	78%	0.783	S	S	*	*			trans	82.5	101.2	155.3	-66.7	168.8	0	0	0	121.5
939	T	28.7	Very low	29	Very low	105 Å²	105	137.3 Å²	137.3	64%	0.644	78%	0.777	S	S	*	*				32.6	136.5	118.6	61.6	0	0	0	0	123.2
940	N	23.5	Very low	28.9	Very low	156 Å²	156	136.5 Å²	136.5	83%	0.834	77%	0.771	S	S	*	*			trans	89.4	142.6	146	-62	-9.6	0	0	0	121.2
941	T	31.2	Very low	28.8	Very low	134 Å²	134	137 Å²	137	82%	0.822	78%	0.779	S	S	*	*			trans	-86.6	-174.5	176.3	52.6	0	0	0	0	111.2
942	P	39	Very low	28.7	Very low	102 Å²	102	132.3 Å²	132.3	66%	0.662	78%	0.776	S	S	*	*			cis	-143.6	176.9	7.3	45.3	-26.8	0	0	0	118.6
943	D	25.6	Very low	28.7	Very low	150 Å²	150	132.2 Å²	132.2	80%	0.802	77%	0.769	S	S	*	*			trans	57.9	171.3	138.6	-79.9	-26.8	0	0	0	123
944	P	43.1	Very low	28.7	Very low	91 Å²	91	136.2 Å²	136.2	59%	0.591	77%	0.772	S	S	*	*			cis	-135.2	-176.1	-14.8	23.3	1.5	0	0	0	116
945	H	27.9	Very low	28.6	Very low	178 Å²	178	132.6 Å²	132.6	82%	0.824	76%	0.762	S	S	*	*			trans	77.5	142.3	156.2	-60.7	-44.8	0	0	0	119.2
946	S	24.4	Very low	28.6	Very low	102 Å²	102	130.9 Å²	130.9	71%	0.713	76%	0.76	S	S	*	*			cis	-162.8	146.2	-5.6	50.2	0	0	0	0	112.8
947	C	23.4	Very low	28.6	Very low	133 Å²	133	126.9 Å²	126.9	90%	0.899	76%	0.756	S	S	*	*				-174	149.6	125	-101.6	0	0	0	0	112
948	E	23.4	Very low	28.9	Very low	179 Å²	179	127.8 Å²	127.8	84%	0.836	76%	0.762	S	S	*	*			trans	-112.8	-179.7	179	-116.3	-164.2	158.3	0	0	109.4
949	P	39.5	Very low	28.9	Very low	106 Å²	106	129.2 Å²	129.2	69%	0.688	77%	0.765	S	S	*	*			cis	-147.8	166.4	28.9	41.9	-20.7	0	0	0	120.9
950	S	26.9	Very low	30.3	Very low	86 Å²	86	128.8 Å²	128.8	60%	0.601	76%	0.764	S	S	*	*			trans	82.6	125.4	136	63.3	0	0	0	0	124.8
951	T	27.3	Very low	31.3	Very low	148 Å²	148	127.5 Å²	127.5	91%	0.908	76%	0.764	S	S	*	*			trans	67.2	140.6	151.4	56.8	0	0	0	0	120.9
952	G	25.8	Very low	31.2	Very low	68 Å²	68	129.3 Å²	129.3	70%	0.701	76%	0.763	S	S	*	*			cis	165.4	150.5	-12.3	0	0	0	0	0	116.4
953	N	27.6	Very low	30.6	Very low	144 Å²	144	131.7 Å²	131.7	77%	0.77	77%	0.77	S	S	*	*			trans	76	127.8	160.7	-76.8	2.5	0	0	0	124.3
954	H	27.4	Very low	30.6	Very low	179 Å²	179	130.8 Å²	130.8	83%	0.829	77%	0.77	S	S	*	*			trans	52.5	150.2	146.5	-53.5	-56.5	0	0	0	122.2
955	G	25.9	Very low	30.9	Very low	63 Å²	63	132.3 Å²	132.3	65%	0.649	78%	0.78	S	S	*	*			cis	159	135.8	-12.8	0	0	0	0	0	116.2
956	T	28	Very low	30.9	Very low	131 Å²	131	127.2 Å²	127.2	80%	0.804	78%	0.776	S	S	*	*			trans	55.8	128.9	154.9	26.5	0	0	0	0	123.6
957	D	27.3	Very low	31	Very low	150 Å²	150	129.3 Å²	129.3	80%	0.802	79%	0.785	S	S	*	*			trans	56.5	143.1	137	-68.2	10.6	0	0	0	121.7
958	P	35.8	Very low	31.1	Very low	131 Å²	131	132.2 Å²	132.2	85%	0.851	78%	0.782	S	S	*	*				-145.3	166.3	84.1	39.5	-22.7	0	0	0	117.5
959	Q	24.8	Very low	32.6	Very low	178 Å²	178	129.1 Å²	129.1	83%	0.832	78%	0.777	S	S	*	*			trans	-137.7	-173.2	168.6	-153	-170.5	-33.4	0	0	109.1
960	P	59.3	Low	32.5	Very low	95 Å²	95	130.5 Å²	130.5	62%	0.617	79%	0.786	S	S	*	*				-85.6	-163.1	-107.9	41.1	-27.7	0	0	0	114.9
961	P	44.3	Very low	32.3	Very low	129 Å²	129	131.7 Å²	131.7	84%	0.838	79%	0.793	S	S	*	*				-137.8	-178.6	107.4	39.6	-28.7	0	0	0	115.4
962	Q	28.3	Very low	32.3	Very low	173 Å²	173	131.5 Å²	131.5	81%	0.808	79%	0.787	S	S	*	*			trans	-102.1	173.3	-176	-54.7	166.1	-94.5	0	0	111.8
963	D	25.8	Very low	32.2	Very low	152 Å²	152	137.2 Å²	137.2	81%	0.813	79%	0.792	S	S	*	*				-179	157.7	115.8	-94.7	-15	0	0	0	115.5
964	T	26.2	Very low	32.1	Very low	130 Å²	130	133.4 Å²	133.4	80%	0.798	78%	0.781	S	S	*	*			trans	-163.1	-174.5	175.9	51.8	0	0	0	0	108.2
965	P	49.4	Very low	32.2	Very low	123 Å²	123	132.4 Å²	132.4	80%	0.799	78%	0.776	S	S	*	*			cis	-134.1	-179.3	-19.8	27.2	-3.9	0	0	0	115.6
966	G	28.8	Very low	32.4	Very low	71 Å²	71	136.2 Å²	136.2	73%	0.732	78%	0.782	S	S	*	*			trans	96.9	161.6	150.5	0	0	0	0	0	118.3
967	T	26.8	Very low	32.4	Very low	147 Å²	147	135.4 Å²	135.4	90%	0.902	77%	0.773	S	S	*	*			cis	-155.6	165.8	-1.2	-51.8	0	0	0	0	111
968	K	24.5	Very low	32.4	Very low	193 Å²	193	135.7 Å²	135.7	84%	0.839	77%	0.774	S	S	*	*			trans	-91.4	-167.1	-179.1	-55.1	-179.8	179.8	-178.1	0	113.7
969	P	54.1	Low	32.1	Very low	114 Å²	114	136.8 Å²	136.8	74%	0.74	77%	0.768	S	S	*	*				-117.6	-172	-79.4	40.1	-23.8	0	0	0	112.8
970	P	38.7	Very low	32.2	Very low	136 Å²	136	131.9 Å²	131.9	88%	0.883	77%	0.765	S	S	*	*				-148.9	-144.3	100.6	40.1	-20.2	0	0	0	115
971	C	22.1	Very low	30.7	Very low	110 Å²	110	135 Å²	135	74%	0.743	78%	0.776	S	S	*	*			trans	-133.8	166.8	-145.9	-166.5	0	0	0	0	117
972	N	26.7	Very low	30	Very low	144 Å²	144	132.5 Å²	132.5	77%	0.77	77%	0.767	S	S	*	*			trans	101.3	130.8	153.2	-81.6	-35.2	0	0	0	123.2
973	K	24.4	Very low	30	Very low	188 Å²	188	132.2 Å²	132.2	82%	0.817	77%	0.766	S	S	*	*			trans	66.7	146.5	156.7	-72.3	-156.6	168.2	-140.4	0	119.7
974	A	26.1	Very low	30.3	Very low	64 Å²	64	136 Å²	136	53%	0.529	77%	0.769	S	S	.	*			cis	-168.2	159.3	-15.4	0	0	0	0	0	110.8
975	E	29.4	Very low	31.6	Very low	158 Å²	158	134.8 Å²	134.8	74%	0.738	76%	0.763	S	S	*	*			trans	48.9	136.7	144.8	-61.4	152.7	169.1	0	0	120.4
976	D	28.8	Very low	30.4	Very low	143 Å²	143	135.8 Å²	135.8	77%	0.765	76%	0.761	S	S	*	*			cis	-164.9	157.1	-10.6	-90.9	-24	0	0	0	107.2
977	D	29.8	Very low	30.1	Very low	115 Å²	115	143.7 Å²	143.7	62%	0.615	77%	0.769	S	S	*	*			cis	-122.1	-88.5	-13.5	-177	-36.3	0	0	0	109.6	Q979	D977-Q979 PolarHBondContact OD1-NE2 3Å; D977-Q979 PolarHBondContact OD2-NE2 3.05Å
978	D	26.3	Very low	29.9	Very low	155 Å²	155	142.4 Å²	142.4	83%	0.829	76%	0.761	S	S	*	*			cis	-147.2	157.9	-10.3	-173.3	14.7	0	0	0	108.9
979	Q	28.7	Very low	30.5	Very low	154 Å²	154	138.6 Å²	138.6	72%	0.72	76%	0.756	S	S	*	*			trans	-118.7	156.7	-150.6	-78	156.4	39.1	0	0	116.5	D977	D977-Q979 PolarHBondContact OD1-NE2 3Å; D977-Q979 PolarHBondContact OD2-NE2 3.05Å
980	G	27.6	Very low	29	Very low	75 Å²	75	139.2 Å²	139.2	77%	0.773	76%	0.758	S	S	*	*			cis	-175.5	162.2	-1.2	0	0	0	0	0	112.4
981	D	27.9	Very low	28.1	Very low	160 Å²	160	138.1 Å²	138.1	86%	0.856	75%	0.752	S	S	*	*			trans	-150.8	179.7	-168.6	-169.5	15.7	0	0	0	112.1
982	A	29.2	Very low	28.1	Very low	78 Å²	78	137.8 Å²	137.8	65%	0.645	75%	0.751	S	S	*	*			trans	86.7	88	160.7	0	0	0	0	0	120.4
983	Q	28.9	Very low	27.9	Very low	166 Å²	166	138.7 Å²	138.7	78%	0.776	75%	0.751	S	S	*	*				36.8	125	114.8	-57.1	178.6	3.9	0	0	122.1
984	R	31.2	Very low	27.9	Very low	231 Å²	231	136.8 Å²	136.8	87%	0.872	75%	0.745	S	S	*	*			trans	68.6	171.9	137.1	-79.4	-178.7	177.6	-171.7	0.4	118.5
985	P	55.1	Low	27.8	Very low	105 Å²	105	139.2 Å²	139.2	68%	0.682	75%	0.753	S	S	*	*			cis	-136.5	-163.7	-25.4	30.1	-6.6	0	0	0	114.4
986	L	23.9	Very low	27.6	Very low	145 Å²	145	138.8 Å²	138.8	76%	0.759	75%	0.751	S	S	*	*			trans	96.1	118.5	150.6	-106	90.6	0	0	0	122.2
987	W	22.8	Very low	27.4	Very low	236 Å²	236	140 Å²	140	89%	0.894	75%	0.752	S	S	*	*			trans	71.6	162.5	145	-82.7	50.4	0	0	0	122.4
988	T	21.9	Very low	27.1	Very low	120 Å²	120	138 Å²	138	74%	0.736	76%	0.76	S	S	*	*			trans	-94.8	-174.6	-175.9	57.9	0	0	0	0	110.9
989	P	37.8	Very low	27.2	Very low	113 Å²	113	137.8 Å²	137.8	73%	0.734	76%	0.757	S	S	*	*			cis	-135.6	-156.7	-2.5	36.3	-13.8	0	0	0	114.1
990	T	20.9	Very low	26.9	Very low	128 Å²	128	139.5 Å²	139.5	79%	0.785	77%	0.765	S	S	*	*			trans	107.7	164.4	150	-23.2	0	0	0	0	118.2
991	C	20.4	Very low	27	Very low	112 Å²	112	145 Å²	145	76%	0.757	77%	0.768	S	S	*	*			trans	-100.4	-174.3	-149	-52	0	0	0	0	116.7
992	S	22.3	Very low	27	Very low	103 Å²	103	143.9 Å²	143.9	72%	0.72	76%	0.762	S	S	*	*			trans	76.6	103.7	151	54.3	0	0	0	0	120.7
993	E	22.5	Very low	27	Very low	163 Å²	163	147.8 Å²	147.8	76%	0.762	77%	0.771	S	S	*	*				78.6	134.6	123.7	-72.1	-155.3	89.4	0	0	124.1
994	Q	25.1	Very low	27.2	Very low	149 Å²	149	146.1 Å²	146.1	70%	0.696	77%	0.768	S	S	*	*			trans	93.1	107	134.7	-86.8	177.8	42.6	0	0	122.1
995	T	23.5	Very low	26.9	Very low	115 Å²	115	143.6 Å²	143.6	71%	0.706	77%	0.766	S	S	*	*			trans	73.4	150.9	142.8	15.6	0	0	0	0	118.2
996	Q	25.4	Very low	26.5	Very low	148 Å²	148	144.3 Å²	144.3	69%	0.692	77%	0.771	S	S	*	*			cis	-156.7	136.1	9.2	-159.2	149.7	-15	0	0	114.7
997	Q	24.8	Very low	26.9	Very low	168 Å²	168	142.3 Å²	142.3	79%	0.785	78%	0.775	S	S	*	*			trans	45.6	149.2	147.3	-65.7	174	-62.1	0	0	124.6
998	G	23.8	Very low	27.3	Very low	75 Å²	75	136.5 Å²	136.5	77%	0.773	77%	0.771	S	S	*	*			trans	117.5	94.8	169.4	0	0	0	0	0	113
999	L	26.7	Very low	27.6	Very low	149 Å²	149	138.1 Å²	138.1	78%	0.78	77%	0.774	S	S	*	*			cis	87.6	92.8	16.4	-156.3	163.5	0	0	0	116
1000	E	23.8	Very low	27.1	Very low	190 Å²	190	139.9 Å²	139.9	89%	0.888	78%	0.777	S	S	*	*			trans	-160.7	175.2	136.5	-109.9	174.1	160.2	0	0	109.8
1001	F	28.2	Very low	28.4	Very low	191 Å²	191	139 Å²	139	84%	0.838	77%	0.774	S	S	*	*			trans	-140.1	-164.8	-145	-136.8	-101.5	0	0	0	115.6
1002	D	28.4	Very low	28.8	Very low	136 Å²	136	138.3 Å²	138.3	73%	0.727	77%	0.77	S	S	*	*			trans	77.6	145	162.2	-63.5	-18.3	0	0	0	118
1003	L	30.3	Very low	29	Very low	160 Å²	160	140.3 Å²	140.3	84%	0.838	77%	0.772	S	S	*	*			cis	-142.5	175.1	3.9	-86.5	110.3	0	0	0	108.7
1004	D	32.4	Very low	29.3	Very low	131 Å²	131	139.2 Å²	139.2	70%	0.701	77%	0.771	S	S	*	*			cis	-179.1	156.8	-27.7	179.1	40.7	0	0	0	108.9
1005	E	25	Very low	29.3	Very low	178 Å²	178	138 Å²	138	83%	0.832	77%	0.774	S	S	*	*			trans	-150.1	141.2	162.7	-125.3	-155.8	134.2	0	0	110.5
1006	P	45.8	Very low	29.4	Very low	121 Å²	121	143.8 Å²	143.8	79%	0.786	78%	0.783	S	S	*	*			trans	-90.8	164.7	-156.7	35.5	-36.5	0	0	0	116.7
1007	A	33.1	Very low	30.4	Very low	102 Å²	102	142.1 Å²	142.1	84%	0.843	79%	0.785	S	S	*	*			trans	-122.6	170	-156.5	0	0	0	0	0	117.3
1008	S	30.8	Very low	30.4	Very low	115 Å²	115	139.5 Å²	139.5	80%	0.804	78%	0.781	S	S	*	*			trans	-173.1	148.1	151.6	50.2	0	0	0	0	108.6
1009	D	28.1	Very low	30.6	Very low	153 Å²	153	146 Å²	146	82%	0.818	78%	0.782	S	S	*	*			cis	-150.5	-169.5	-11.9	-146.4	-42.8	0	0	0	109.4
1010	L	27.5	Very low	30.5	Very low	151 Å²	151	146 Å²	146	79%	0.791	78%	0.778	S	S	*	*			trans	-128.4	175.9	-171.2	-114.7	65.3	0	0	0	113
1011	P	48.1	Very low	30.5	Very low	110 Å²	110	142.4 Å²	142.4	71%	0.714	77%	0.772	S	S	*	*			cis	-119.2	-160.1	-14.4	29.3	-5	0	0	0	110.3
1012	S	29.9	Very low	30.5	Very low	96 Å²	96	140.3 Å²	140.3	67%	0.671	77%	0.769	S	S	*	*			cis	-149.4	-164.5	15.3	-48.7	0	0	0	0	109.6
1013	D	26.7	Very low	30.4	Very low	145 Å²	145	142.2 Å²	142.2	78%	0.775	77%	0.773	S	S	*	*			cis	-155.5	-162.2	8.6	-142.3	-69.8	0	0	0	112.1
1014	L	27	Very low	30.2	Very low	141 Å²	141	137.9 Å²	137.9	74%	0.738	77%	0.767	S	S	*	*			trans	-86.3	131.6	-163.5	-117.9	73.7	0	0	0	118.9
1015	T	25.7	Very low	29.8	Very low	124 Å²	124	140.4 Å²	140.4	76%	0.761	78%	0.775	S	S	*	*			trans	71.9	120.3	133.7	46.3	0	0	0	0	125.4
1016	R	26.5	Very low	29.9	Very low	235 Å²	235	138.6 Å²	138.6	89%	0.887	77%	0.77	S	S	*	*			trans	-85.3	-168.4	146.2	-119.5	-173	-170	166	4	110.3
1017	P	45.3	Very low	29	Very low	113 Å²	113	139.1 Å²	139.1	73%	0.734	77%	0.766	S	S	*	*			cis	-107.7	-141	11.9	19.7	6.8	0	0	0	111.7
1018	T	25.3	Very low	28.6	Very low	113 Å²	113	140.6 Å²	140.6	69%	0.693	76%	0.76	S	S	*	*			cis	-157	146.3	9.4	-51.7	0	0	0	0	106.4
1019	R	27.4	Very low	28.4	Very low	212 Å²	212	140.7 Å²	140.7	80%	0.8	76%	0.756	S	S	*	*			cis	108.1	142.5	20.6	-147.7	-171.8	-171	-154.5	10.4	113.4
1020	E	25.6	Very low	28.3	Very low	150 Å²	150	141.7 Å²	141.7	70%	0.701	76%	0.755	S	S	*	*			trans	69.9	126.4	177.5	-70.8	136	-131.2	0	0	116.1
1021	C	24.1	Very low	28.1	Very low	113 Å²	113	139 Å²	139	76%	0.764	75%	0.749	S	S	*	*			cis	85.1	116.8	12.9	-160.6	0	0	0	0	117.4
1022	L	28	Very low	27	Very low	148 Å²	148	137.9 Å²	137.9	78%	0.775	74%	0.744	S	S	*	*				175.1	146.6	128.7	-94.3	165.3	0	0	0	114
1023	Q	26.8	Very low	26.8	Very low	175 Å²	175	141.5 Å²	141.5	82%	0.818	75%	0.749	S	S	*	*			trans	42.2	138.9	151	-109.7	65.1	-12.6	0	0	124.9
1024	G	24.5	Very low	26.9	Very low	69 Å²	69	140.6 Å²	140.6	71%	0.711	75%	0.749	S	S	*	*				141.1	109.8	126.7	0	0	0	0	0	118.6
1025	E	25.6	Very low	27.4	Very low	184 Å²	184	139.6 Å²	139.6	86%	0.86	75%	0.751	S	S	*	*			trans	-18.3	149.7	162.7	-53.4	173.7	101.7	0	0	118.3
1026	L	27.1	Very low	27.4	Very low	140 Å²	140	138 Å²	138	73%	0.733	75%	0.75	S	S	*	*				179.9	152.9	58.5	-166.1	71.6	0	0	0	112.6
1027	L	25.5	Very low	27.4	Very low	132 Å²	132	133.7 Å²	133.7	69%	0.691	74%	0.744	S	S	*	*			trans	29	125.7	160.7	-93.2	70.9	0	0	0	123.9
1028	N	25.2	Very low	26.5	Very low	133 Å²	133	137 Å²	137	71%	0.711	75%	0.747	S	S	*	*				86.7	141.3	126.4	-79	3.6	0	0	0	125.1
1029	T	25.9	Very low	26.6	Very low	118 Å²	118	137.1 Å²	137.1	72%	0.724	75%	0.752	S	S	*	*			trans	79	123.2	147	41.9	0	0	0	0	122.5
1030	H	27.1	Very low	26.8	Very low	173 Å²	173	136.7 Å²	136.7	80%	0.801	75%	0.751	S	S	*	*			trans	59.3	106.1	143.7	-76.5	-66.6	0	0	0	121.9
1031	S	23.6	Very low	26.9	Very low	94 Å²	94	135.4 Å²	135.4	66%	0.657	75%	0.753	S	S	*	*				87	129.6	103.9	-156.9	0	0	0	0	120.9
1032	S	25.3	Very low	27	Very low	87 Å²	87	133.3 Å²	133.3	61%	0.608	74%	0.74	S	S	*	*			trans	61.1	111.5	137.8	59.2	0	0	0	0	121.5
1033	H	25.9	Very low	26.9	Very low	172 Å²	172	135.5 Å²	135.5	80%	0.796	74%	0.743	S	S	*	*				70.4	116.3	126.8	-73.5	-65.2	0	0	0	122
1034	V	27.3	Very low	27	Very low	127 Å²	127	134 Å²	134	77%	0.77	74%	0.737	S	S	*	*				75.1	154.9	124.4	168.8	0	0	0	0	115.8
1035	P	39.1	Very low	27.1	Very low	119 Å²	119	138.6 Å²	138.6	77%	0.773	74%	0.739	S	S	*	*			cis	-121.6	175.3	8.5	15.6	10.3	0	0	0	117.8
1036	A	25	Very low	27.2	Very low	90 Å²	90	137 Å²	137	74%	0.744	74%	0.735	S	S	*	*			trans	-66.5	170.2	170.6	0	0	0	0	0	115.6
1037	L	25.3	Very low	28.3	Very low	146 Å²	146	136.1 Å²	136.1	76%	0.764	74%	0.738	S	S	*	*				-163.6	136.2	116.8	-148.1	61.7	0	0	0	115.4
1038	K	27.8	Very low	28.7	Very low	183 Å²	183	134 Å²	134	80%	0.796	74%	0.74	S	S	*	*			trans	9.5	153.5	150.6	-47.5	166.4	-177	172.3	0	119.7
1039	S	27.1	Very low	28.8	Very low	115 Å²	115	135.3 Å²	135.3	80%	0.804	75%	0.746	S	S	*	*			cis	-169.9	-177.3	31.8	72.8	0	0	0	0	110.2
1040	R	30.7	Very low	28.8	Very low	203 Å²	203	136 Å²	136	77%	0.766	74%	0.741	S	S	*	*			cis	-159	-148.9	-1.4	-155.5	-152.9	154.6	144.1	-1.8	109.3
1041	T	28.3	Very low	29.6	Very low	123 Å²	123	133.6 Å²	133.6	76%	0.755	74%	0.741	S	S	*	*			trans	56.2	96.7	162.9	50.6	0	0	0	0	117.1
1042	S	25.9	Very low	29.8	Very low	68 Å²	68	135.6 Å²	135.6	48%	0.476	74%	0.744	S	S	.	*			cis	81.9	97.7	10.6	92	0	0	0	0	119.2
1043	F	27.4	Very low	29.7	Very low	194 Å²	194	136.6 Å²	136.6	85%	0.851	75%	0.751	S	S	*	*			trans	-168.2	123.8	140.2	-95.8	-75.6	0	0	0	105.2
1044	E	26.8	Very low	29.8	Very low	145 Å²	145	135.4 Å²	135.4	68%	0.678	75%	0.75	S	S	*	*			cis	75.1	140.2	49.1	-68.3	-169.3	91	0	0	114.1
1045	Q	27.5	Very low	29.7	Very low	165 Å²	165	135.3 Å²	135.3	77%	0.771	75%	0.749	S	S	*	*			cis	-152.7	173.1	18.7	-142.1	163.1	40.7	0	0	115.1
1046	I	28.7	Very low	29.4	Very low	149 Å²	149	135.4 Å²	135.4	76%	0.764	75%	0.75	S	S	*	*			trans	-102.5	168.2	176.8	-22.2	176.5	0	0	0	110.7
1047	P	49.8	Very low	29.5	Very low	123 Å²	123	136.4 Å²	136.4	80%	0.799	75%	0.751	S	S	*	*				-141.5	164.2	103.4	24	-4.3	0	0	0	113
1048	A	32.5	Very low	29.5	Very low	88 Å²	88	138 Å²	138	73%	0.727	76%	0.755	S	S	*	*			cis	-159	-155.8	-10.8	0	0	0	0	0	106
1049	N	27	Very low	29.5	Very low	159 Å²	159	139 Å²	139	85%	0.85	76%	0.759	S	S	*	*			cis	-161.2	178	6.4	-161.2	15.5	0	0	0	110
1050	E	27.6	Very low	30.1	Very low	133 Å²	133	139.4 Å²	139.4	62%	0.621	76%	0.76	S	S	*	*			trans	-145.7	175.4	-176.7	-149.7	-167.3	-128.4	0	0	112.2	L1052	E1050-L1052 WeakPolarHBondContact OE2-CD1 3.46Å; E1050-L1052 WeakPolarHBondContact OE2-CG 3.24Å
1051	P	43.4	Very low	29.9	Very low	123 Å²	123	134.9 Å²	134.9	80%	0.799	76%	0.759	S	S	*	*				-152.5	165.2	93.3	39.5	-20.6	0	0	0	118.8
1052	L	27.6	Very low	30	Very low	136 Å²	136	136 Å²	136	71%	0.712	76%	0.761	S	S	*	*			trans	-75.8	160.3	-174	-59.8	100.5	0	0	0	119.8	E1050	E1050-L1052 WeakPolarHBondContact OE2-CD1 3.46Å; E1050-L1052 WeakPolarHBondContact OE2-CG 3.24Å
1053	S	23	Very low	30.6	Very low	107 Å²	107	138.9 Å²	138.9	75%	0.748	78%	0.778	S	S	*	*				-161	116.9	129.8	59.8	0	0	0	0	110.9
1054	L	28.4	Very low	30.6	Very low	148 Å²	148	140.7 Å²	140.7	78%	0.775	78%	0.779	S	S	*	*				56.3	129.3	84.2	-68.8	168.1	0	0	0	113.7
1055	T	24.9	Very low	30.6	Very low	124 Å²	124	142.5 Å²	142.5	76%	0.761	79%	0.792	S	S	*	*			cis	-160.3	153.1	27.8	-43.1	0	0	0	0	112.6
1056	P	33.3	Very low	30.4	Very low	122 Å²	122	137.4 Å²	137.4	79%	0.792	78%	0.784	S	S	*	*			trans	-114.7	145.8	169.9	38.4	-29	0	0	0	115.7
1057	S	27	Very low	30.2	Very low	110 Å²	110	139 Å²	139	77%	0.769	79%	0.788	S	S	*	*			trans	-168.3	155.7	162.5	67	0	0	0	0	108.6
1058	Q	24.8	Very low	29.1	Very low	179 Å²	179	142 Å²	142	84%	0.836	79%	0.789	S	S	*	*			cis	-143.8	167.4	21.8	-61.8	171.8	-26.7	0	0	112.2
1059	F	28.1	Very low	28.7	Very low	204 Å²	204	145.8 Å²	145.8	90%	0.895	79%	0.792	S	S	*	*			trans	-126	158.7	157.7	-95.9	-77.8	0	0	0	108
1060	P	38.8	Very low	28.7	Very low	125 Å²	125	145.4 Å²	145.4	81%	0.812	79%	0.79	S	S	*	*				-145.8	163.2	105.9	36.7	-20.2	0	0	0	116.7
1061	S	26.5	Very low	28.7	Very low	107 Å²	107	147.6 Å²	147.6	75%	0.748	80%	0.8	S	S	*	*			trans	-70.2	157.2	-176.4	53	0	0	0	0	118.6
1062	D	31.4	Very low	27.8	Very low	148 Å²	148	145.4 Å²	145.4	79%	0.791	80%	0.8	S	S	*	*			trans	37.3	143.5	136.4	-100.7	22.1	0	0	0	122
1063	P	38.6	Very low	27.8	Very low	128 Å²	128	143.9 Å²	143.9	83%	0.831	80%	0.801	S	S	*	*				-152.1	174.8	92.3	40.6	-23.3	0	0	0	117.6
1064	R	27	Very low	28.2	Very low	232 Å²	232	147.1 Å²	147.1	88%	0.875	80%	0.804	S	S	*	*			trans	-101.3	136.9	170.1	-67.3	-179.5	172.4	-161	-2.1	113.5
1065	L	25.9	Very low	28.1	Very low	182 Å²	182	147.6 Å²	147.6	95%	0.953	81%	0.807	S	S	*	*			trans	-172.7	155.2	152	-137.6	59.6	0	0	0	110.6
1066	G	24	Very low	28.4	Very low	59 Å²	59	150.3 Å²	150.3	61%	0.608	81%	0.811	S	S	*	*			cis	157.8	41.5	-16.7	0	0	0	0	0	118.4
1067	E	23.8	Very low	28	Very low	182 Å²	182	152.7 Å²	152.7	85%	0.85	81%	0.812	S	S	*	*			trans	-126.2	123.3	172.2	-69.2	179.3	146.2	0	0	108.8
1068	F	27.1	Very low	28	Very low	185 Å²	185	153.9 Å²	153.9	81%	0.811	81%	0.809	S	S	*	*				71.3	125.6	76.7	-76.6	-60.9	0	0	0	112.5
1069	E	25.2	Very low	28	Very low	168 Å²	168	152 Å²	152	79%	0.785	80%	0.804	S	S	*	*			cis	-143.1	145.1	6.2	-87.7	165.4	163	0	0	109.2
1070	D	27.2	Very low	27.9	Very low	152 Å²	152	148.7 Å²	148.7	81%	0.813	80%	0.795	S	S	*	*				61	140.3	89	-100	-7.4	0	0	0	116.1
1071	E	26.2	Very low	27.3	Very low	178 Å²	178	149.5 Å²	149.5	83%	0.832	79%	0.792	S	S	*	*			cis	-131.6	173	-1.7	-61.5	-178.1	111.3	0	0	110.2
1072	G	25.1	Very low	27.3	Very low	77 Å²	77	152.1 Å²	152.1	79%	0.794	79%	0.792	S	S	*	*				85.8	141.9	90.4	0	0	0	0	0	114.6
1073	S	27.4	Very low	27.1	Very low	105 Å²	105	149.1 Å²	149.1	73%	0.734	78%	0.783	S	S	*	*			cis	-168.8	152	-3.7	55.1	0	0	0	0	112.5
1074	E	31.5	Very low	26.4	Very low	175 Å²	175	153.7 Å²	153.7	82%	0.818	79%	0.785	S	S	*	*			trans	52.9	116.9	142.9	-63.8	172.5	173.5	0	0	124.3
1075	D	27.1	Very low	26.5	Very low	157 Å²	157	149.2 Å²	149.2	84%	0.84	78%	0.777	S	S	*	*				56	164.4	123.7	-63.9	-12	0	0	0	127
1076	E	29.5	Very low	26.4	Very low	182 Å²	182	150.9 Å²	150.9	85%	0.85	77%	0.773	S	S	*	*			trans	82.5	105.4	166	-63.1	-162.8	153.8	0	0	123.6
1077	E	26.6	Very low	26.5	Very low	172 Å²	172	154.7 Å²	154.7	80%	0.804	78%	0.779	S	S	*	*				62.4	155.7	129.1	-117.4	-168.9	162.8	0	0	126.5
1078	L	26.5	Very low	26.7	Very low	134 Å²	134	150.7 Å²	150.7	70%	0.702	78%	0.777	S	S	*	*			trans	81.5	91.4	151.9	-116.6	73	0	0	0	123.6
1079	D	24.9	Very low	26.7	Very low	139 Å²	139	149 Å²	149	74%	0.743	77%	0.769	S	S	*	*				68	162.1	116.5	-149.7	11.9	0	0	0	123.7
1080	L	25.7	Very low	26.9	Very low	135 Å²	135	149 Å²	149	71%	0.707	77%	0.769	S	S	*	*			trans	73.8	97.1	162	-65.1	175.8	0	0	0	123
1081	L	25.8	Very low	26.9	Very low	143 Å²	143	148.6 Å²	148.6	75%	0.749	76%	0.762	S	S	*	*				50.7	133.6	116.9	-110.8	88.5	0	0	0	124
1082	H	26.6	Very low	27	Very low	162 Å²	162	143.1 Å²	143.1	75%	0.75	75%	0.754	S	S	*	*			trans	77.9	101.7	142.7	-97.1	53.4	0	0	0	121.5
1083	S	27.1	Very low	27.2	Very low	85 Å²	85	149.4 Å²	149.4	59%	0.594	76%	0.763	S	S	*	*				31.1	134.4	123.6	64.9	0	0	0	0	121.5
1084	Y	23.3	Very low	27.3	Very low	223 Å²	223	147.7 Å²	147.7	88%	0.875	76%	0.761	S	S	*	*				-154.1	155.8	127.7	-116.3	-77.6	0	0	0	112.5
1085	I	29.8	Very low	27.2	Very low	139 Å²	139	146.8 Å²	146.8	71%	0.713	76%	0.762	S	S	*	*			trans	-104	149.4	173.9	-64.9	165.3	0	0	0	108.5
1086	Y	24.9	Very low	27.3	Very low	217 Å²	217	148.1 Å²	148.1	85%	0.851	76%	0.763	S	S	*	*			trans	-154	144.8	147.3	-124.5	-77.1	0	0	0	114.3
1087	D	25.6	Very low	27.3	Very low	138 Å²	138	142.8 Å²	142.8	74%	0.738	76%	0.757	S	S	*	*			trans	-80.5	160.3	176.5	-63.3	-78.8	0	0	0	114.4
1088	A	27	Very low	27.5	Very low	99 Å²	99	144.1 Å²	144.1	82%	0.818	76%	0.763	S	S	*	*				164.7	164.4	121.3	0	0	0	0	0	112.5
1089	K	27.6	Very low	27.5	Very low	149 Å²	149	141.1 Å²	141.1	65%	0.648	77%	0.765	S	S	*	*			cis	-169.9	-179.5	-47.2	-148.8	-158.4	169	-133.3	0	107.4	E1091	K1089-E1091 WeakPolarHBondContact CD-OE1 3.28Å; K1089-E1091 WeakPolarHBondContact CE-OE1 3.42Å; K1089-E1091 IonicContact NZ-OE1 3.19Å; K1089-E1091 PolarHBondContact NZ-OE1 2.98Å; K1089-E1091 IonicContact NZ-OE2 3.09Å; K1089-E1091 PolarHBondContact NZ-OE2 3.02Å
1090	E	29.3	Very low	27.7	Very low	168 Å²	168	143.8 Å²	143.8	79%	0.785	77%	0.773	S	S	*	*			trans	74.6	146.4	167.4	-63.7	168.1	-169.3	0	0	118.5
1091	E	28.4	Very low	27.7	Very low	143 Å²	143	144.7 Å²	144.7	67%	0.668	78%	0.778	S	S	*	*			cis	-174.5	165.6	-46.7	-109.2	130.8	-93.6	0	0	105.8	K1089	K1089-E1091 WeakPolarHBondContact CD-OE1 3.28Å; K1089-E1091 WeakPolarHBondContact CE-OE1 3.42Å; K1089-E1091 IonicContact NZ-OE1 3.19Å; K1089-E1091 PolarHBondContact NZ-OE1 2.98Å; K1089-E1091 IonicContact NZ-OE2 3.09Å; K1089-E1091 PolarHBondContact NZ-OE2 3.02Å
1092	G	27.9	Very low	27.6	Very low	63 Å²	63	145 Å²	145	65%	0.649	78%	0.78	S	S	*	*			cis	-174.2	-150.6	6.9	0	0	0	0	0	110.4
1093	E	29.4	Very low	27.9	Very low	210 Å²	210	143.6 Å²	143.6	98%	0.981	78%	0.783	S	S	*	*			trans	62.9	121	176.2	-57.7	-171.4	166.1	0	0	118.1
1094	G	28	Very low	28.3	Very low	68 Å²	68	144.3 Å²	144.3	70%	0.701	79%	0.785	S	S	*	*			cis	177.5	161.9	-8	0	0	0	0	0	114.7
1095	D	30.9	Very low	28.4	Very low	157 Å²	157	140.9 Å²	140.9	84%	0.84	78%	0.783	S	S	*	*			trans	56.5	136.9	146.1	-73.3	13.7	0	0	0	122.4
1096	E	29.4	Very low	28.2	Very low	184 Å²	184	142.5 Å²	142.5	86%	0.86	78%	0.784	S	S	*	*			cis	-139.5	-179.7	-8.5	-72.4	-160.9	104.5	0	0	110.5
1097	G	29.3	Very low	28.3	Very low	70 Å²	70	137.2 Å²	137.2	72%	0.722	78%	0.775	S	S	*	*			trans	-80	-161.3	179.2	0	0	0	0	0	115.8
1098	E	30	Very low	28.2	Very low	201 Å²	201	139 Å²	139	94%	0.939	78%	0.782	S	S	*	*			cis	-150.6	178.9	6.3	-62.6	-175.6	119.9	0	0	110.6
1099	G	27.4	Very low	28.3	Very low	71 Å²	71	142 Å²	142	73%	0.732	78%	0.784	S	S	*	*			trans	97	88.7	130.8	0	0	0	0	0	120.4
1100	E	28.1	Very low	28.3	Very low	195 Å²	195	143.4 Å²	143.4	91%	0.911	79%	0.793	S	S	*	*			trans	35	121.7	135.2	-62.6	-169.8	141.7	0	0	123
1101	D	26.2	Very low	28.3	Very low	154 Å²	154	142 Å²	142	82%	0.824	79%	0.79	S	S	*	*			trans	83.2	164.8	131.9	-140.2	3.6	0	0	0	121.8
1102	L	24.3	Very low	28.1	Very low	148 Å²	148	141.1 Å²	141.1	78%	0.775	80%	0.8	S	S	*	*			trans	73.4	108.6	172	-66.2	163.8	0	0	0	119.7
1103	T	31.3	Very low	28.1	Very low	133 Å²	133	145.5 Å²	145.5	82%	0.816	81%	0.808	S	S	*	*			trans	-54.9	151	151.8	58.3	0	0	0	0	111.6
1104	P	35.8	Very low	28	Very low	100 Å²	100	140.4 Å²	140.4	65%	0.649	80%	0.802	S	S	*	*				-154.9	148.4	112.7	35.8	-18.1	0	0	0	117.8
1105	N	26.7	Very low	28.1	Very low	152 Å²	152	145.5 Å²	145.5	81%	0.813	81%	0.812	S	S	*	*			trans	69.1	162.7	141.7	-74.9	-34.4	0	0	0	119
1106	K	25.9	Very low	27.9	Very low	172 Å²	172	143.2 Å²	143.2	75%	0.748	81%	0.809	S	S	*	*			cis	-151	143.9	9.1	-142.1	-173.6	177.1	-176.9	0	113.5
1107	T	25	Very low	27.9	Very low	107 Å²	107	140.3 Å²	140.3	66%	0.656	81%	0.805	S	S	*	*			trans	21.7	138.1	147.1	58.2	0	0	0	0	122.4
1108	I	25.4	Very low	28	Very low	174 Å²	174	142.8 Å²	142.8	89%	0.892	81%	0.809	S	S	*	*				-143.8	149.6	108.6	-96.1	151.7	0	0	0	108.3
1109	L	27.4	Very low	28	Very low	162 Å²	162	138.8 Å²	138.8	85%	0.848	80%	0.803	S	S	*	*			trans	-147.7	124.6	176.7	172.4	78.6	0	0	0	108
1110	E	29.3	Very low	28.3	Very low	180 Å²	180	140.7 Å²	140.7	84%	0.841	80%	0.803	S	S	*	*			trans	-165.4	137.6	149.3	-116.6	163.8	-154.6	0	0	111.9
1111	D	27.4	Very low	28.3	Very low	137 Å²	137	141.5 Å²	141.5	73%	0.733	80%	0.803	S	S	*	*			trans	24	129	157.8	-63	1.9	0	0	0	123.9
1112	S	25.3	Very low	28.5	Very low	125 Å²	125	146.1 Å²	146.1	87%	0.874	81%	0.809	S	S	*	*				-159	146.8	118.1	-82.4	0	0	0	0	111.9
1113	L	27.1	Very low	28.7	Very low	155 Å²	155	146.4 Å²	146.4	81%	0.812	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-85.6	149.5	-173.6	-68.1	80.8	0	0	0	112.7
1114	A	28.7	Very low	28.5	Very low	103 Å²	103	145.4 Å²	145.4	85%	0.851	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-82.9	135.4	166.3	0	0	0	0	0	111
1115	L	29.2	Very low	28.3	Very low	175 Å²	175	148.3 Å²	148.3	92%	0.916	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-103.1	123.7	177	-72.2	168.7	0	0	0	110.8
1116	S	27.1	Very low	28.5	Very low	110 Å²	110	146.2 Å²	146.2	77%	0.769	82%	0.816	S	S	*	*			trans	-112.9	133.6	167.1	49.9	0	0	0	0	110.2
1117	P	30	Very low	28.6	Very low	122 Å²	122	143.8 Å²	143.8	79%	0.792	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-77.7	140.6	179	30.8	-33.7	0	0	0	111.4
1118	P	31.3	Very low	28.7	Very low	123 Å²	123	141.8 Å²	141.8	80%	0.799	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-84	145.5	-177.8	33	-35.1	0	0	0	113.1
1119	S	29	Very low	28.8	Very low	117 Å²	117	141 Å²	141	82%	0.818	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-84.5	130.1	166.2	50.5	0	0	0	0	111
1120	P	34.2	Very low	28.9	Very low	111 Å²	111	138.7 Å²	138.7	72%	0.721	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-86.6	116.3	175	32.3	-30.6	0	0	0	110.6
1121	F	27.9	Very low	28.8	Very low	211 Å²	211	134.4 Å²	134.4	93%	0.925	81%	0.811	S	S	*	*			trans	167.6	83	140.7	-90.4	-57.6	0	0	0	110.8
1122	R	29.4	Very low	28.8	Very low	251 Å²	251	136 Å²	136	95%	0.947	82%	0.82	S	S	*	*			trans	-158.1	130.6	154.6	-136.7	178.9	-168.5	-131.9	0.5	110.1
1123	D	29.2	Very low	28.9	Very low	154 Å²	154	133.8 Å²	133.8	82%	0.824	82%	0.817	S	S	*	*			trans	-153.8	159.1	164.6	-146	-23.9	0	0	0	111
1124	S	27.3	Very low	28.9	Very low	113 Å²	113	131.3 Å²	131.3	79%	0.79	81%	0.812	S	S	*	*			trans	68.8	148.4	178.1	-62.9	0	0	0	0	118.3
1125	L	32.4	Very low	29.4	Very low	160 Å²	160	132.2 Å²	132.2	84%	0.838	81%	0.81	S	S	*	*			trans	-145.5	164.5	-160.6	-108.8	166.8	0	0	0	110.6
1126	C	29.2	Very low	29.3	Very low	109 Å²	109	130.1 Å²	130.1	74%	0.736	80%	0.798	S	S	*	*			trans	66	127.2	168.9	-57.9	0	0	0	0	116.2
1127	S	29.1	Very low	29.3	Very low	120 Å²	120	131.8 Å²	131.8	84%	0.839	80%	0.797	S	S	*	*				-172.5	159.6	68.1	-62.8	0	0	0	0	113
1128	G	27.1	Very low	29.1	Very low	66 Å²	66	132.6 Å²	132.6	68%	0.68	79%	0.794	S	S	*	*			trans	86.4	115.4	136.9	0	0	0	0	0	120.6
1129	D	27.4	Very low	29	Very low	157 Å²	157	130.5 Å²	130.5	84%	0.84	78%	0.783	S	S	*	*			trans	58.9	104.1	130.8	-59.3	-12.6	0	0	0	122.7
1130	S	28.7	Very low	28.8	Very low	113 Å²	113	133.9 Å²	133.9	79%	0.79	79%	0.788	S	S	*	*				55.7	134.3	123.8	74.2	0	0	0	0	123.1
1131	A	27.5	Very low	28.4	Very low	90 Å²	90	136.3 Å²	136.3	74%	0.744	79%	0.794	S	S	*	*				131.7	127.8	127.3	0	0	0	0	0	116.5
1132	N	27.6	Very low	28.4	Very low	171 Å²	171	129.5 Å²	129.5	91%	0.914	78%	0.784	S	S	*	*			trans	12.4	127.5	152.9	-57.4	-8.8	0	0	0	120.2
1133	G	27	Very low	28.3	Very low	78 Å²	78	123.2 Å²	123.2	80%	0.804	78%	0.778	S	S	*	*			trans	-163	30.9	174.8	0	0	0	0	0	118
1134	S	27.5	Very low	28	Very low	103 Å²	103	121 Å²	121	72%	0.72	78%	0.775	S	S	*	*			trans	-72.2	136.8	168.7	-48.2	0	0	0	0	110.5
1135	P	38.9	Very low	28.1	Very low	123 Å²	123	120.9 Å²	120.9	80%	0.799	77%	0.769	S	S	*	*				-121.1	144.7	96	-0.9	21.6	0	0	0	111.8
1136	I	28.2	Very low	27.9	Very low	130 Å²	130	122.6 Å²	122.6	67%	0.667	77%	0.766	S	S	*	*			cis	87.7	110.6	38.5	-67.1	172	0	0	0	112.9
1137	I	27.2	Very low	27.9	Very low	146 Å²	146	122.1 Å²	122.1	75%	0.749	76%	0.76	S	S	*	*			trans	73.4	144	154.9	-72.3	170.8	0	0	0	115.6
1138	D	25.4	Very low	28	Very low	138 Å²	138	120.4 Å²	120.4	74%	0.738	75%	0.748	S	S	*	*			cis	-125.2	167.9	17.3	-142.4	-23.4	0	0	0	115.5
1139	S	27.8	Very low	28.1	Very low	79 Å²	79	123.7 Å²	123.7	55%	0.552	75%	0.749	S	S	*	*			trans	-137.8	138.4	178.2	59.1	0	0	0	0	110.6
1140	M	25	Very low	28.2	Very low	189 Å²	189	122.3 Å²	122.3	93%	0.931	74%	0.741	S	S	*	*			trans	-121.7	134.2	164.9	-92.5	-69.1	162	0	0	110.9
1141	L	27.5	Very low	28.1	Very low	161 Å²	161	123.5 Å²	123.5	84%	0.843	74%	0.738	S	S	*	*			trans	-112.3	151	-167.1	-77.8	126.6	0	0	0	112.3
1142	G	26.1	Very low	28.1	Very low	69 Å²	69	126.1 Å²	126.1	71%	0.711	73%	0.734	S	S	*	*			trans	132.3	158.8	130	0	0	0	0	0	116.9
1143	S	27.3	Very low	28.1	Very low	118 Å²	118	123.7 Å²	123.7	83%	0.825	72%	0.721	S	S	*	*			cis	-178.1	132.3	-15.5	46.7	0	0	0	0	111
1144	S	24.7	Very low	28	Very low	109 Å²	109	130.2 Å²	130.2	76%	0.762	73%	0.728	S	S	*	*			trans	172.5	134.8	136.4	-153.2	0	0	0	0	109
1145	V	28.2	Very low	27.9	Very low	110 Å²	110	129 Å²	129	67%	0.667	72%	0.724	S	S	*	*			cis	81.5	120.8	28	-179.1	0	0	0	0	111.2
1146	Y	29.2	Very low	27.3	Very low	195 Å²	195	132.1 Å²	132.1	77%	0.765	73%	0.728	S	S	*	*			cis	-165.6	150.5	3.6	-134.8	-147.8	0	0	0	113.8
1147	T	29.2	Very low	27.2	Very low	100 Å²	100	131 Å²	131	61%	0.613	73%	0.731	S	S	*	*			trans	46.8	155	135	59.3	0	0	0	0	124.5
1148	S	31	Very low	27.1	Very low	84 Å²	84	129.9 Å²	129.9	59%	0.587	74%	0.737	S	S	*	*			cis	-179.8	-171.9	-15.8	59.9	0	0	0	0	111.8
1149	N	28.4	Very low	27.2	Very low	134 Å²	134	128.1 Å²	128.1	72%	0.717	74%	0.735	S	S	*	*			trans	93.1	138.9	155.7	-61.6	-13.5	0	0	0	117.9
1150	I	28.8	Very low	27	Very low	129 Å²	129	130.8 Å²	130.8	66%	0.662	75%	0.748	S	S	*	*			cis	-158.2	142.7	0	-121.2	165.4	0	0	0	112.2
1151	L	28.4	Very low	27.1	Very low	138 Å²	138	133.6 Å²	133.6	72%	0.723	77%	0.766	S	S	*	*			trans	35.7	152.6	146.7	-52.2	165.9	0	0	0	121.6
1152	Q	26.7	Very low	27.1	Very low	144 Å²	144	132.2 Å²	132.2	67%	0.673	76%	0.762	S	S	*	*			cis	-165.1	167.1	5.2	-133.1	172.2	-26.5	0	0	113.9
1153	N	27	Very low	27.1	Very low	120 Å²	120	135.5 Å²	135.5	64%	0.642	76%	0.764	S	S	*	*			trans	62.2	112	152.9	-58.9	-26.3	0	0	0	120.5
1154	F	25.7	Very low	27.1	Very low	216 Å²	216	136.5 Å²	136.5	95%	0.947	76%	0.761	S	S	*	*				-165.7	173.5	91.9	-116	-88.9	0	0	0	110.2
1155	A	25.6	Very low	27.3	Very low	77 Å²	77	138.1 Å²	138.1	64%	0.636	76%	0.761	S	S	*	*			trans	-127.3	148.2	-172.4	0	0	0	0	0	112.9
1156	H	26.4	Very low	27.2	Very low	188 Å²	188	139.9 Å²	139.9	87%	0.87	77%	0.767	S	S	*	*				-176.8	149.4	126.9	-112.8	-86.7	0	0	0	114.2
1157	S	25.3	Very low	27.1	Very low	106 Å²	106	136.2 Å²	136.2	74%	0.741	77%	0.767	S	S	*	*			trans	55.5	114.9	150.7	-144.4	0	0	0	0	121.3
1158	S	25.6	Very low	26.9	Very low	124 Å²	124	138.8 Å²	138.8	87%	0.867	78%	0.778	S	S	*	*			trans	-91.5	151.9	156	-52.4	0	0	0	0	111
1159	S	26.3	Very low	26.6	Very low	101 Å²	101	143 Å²	143	71%	0.706	79%	0.793	S	S	*	*			trans	-157.9	147.4	161.6	57.7	0	0	0	0	111.6
1160	T	24.2	Very low	26.4	Very low	135 Å²	135	143.8 Å²	143.8	83%	0.828	80%	0.799	S	S	*	*			trans	56.5	82.5	169.3	61.1	0	0	0	0	117.5
1161	L	27.1	Very low	26.2	Very low	247 Å²	247	145.1 Å²	145.1	100%	1.293	81%	0.812	S	S	*	*				-117.8	0	108.2	-110.6	169.4	0	0	0	107.7

Retrieved 1,161 of 1,161 residues in 1918.3 ms (Link to these results)

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