A0A087YHC5_POEFO Loading...

BUB1 mitotic checkpoint serine/threonine kinase

AlphaFold DB , UniProt , Accession A0A087YHC5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 883 aa.

						>A0A087YHC5_POEFO|A0A087YHC5
MQRPSQDAATRTVSEYSEDALVHDGTEFCFEEVRAEKYFRKIRERQERERRENMQRQLWQQEQEVQRLQSMLQQVNQGLEACGGSHCATLQASIFSSSSRSRRSVGLRLHSDLSLIQEAAGTGSGSEATRPPPVLSDCSGAAEPQAPGSSAQRNPDELGAAPLHCGLVPEPEEKLDVSQGGAANFSHVTPNSSLGFVQATPSRALPSPTVNTREALGVIMDMFQAPTFLDEPFQGASMLHRAAAEPDPDLETGVVPLVLEPPASAPFTIFQDYEDKENGSAAVLFERSKPARALTELSGPRADRPNETPSELIPDESTMWGARYNSLAACPNSTTDFAPLAQFVSTPFAHKTPFSGCFFLAEENNGDGDDENVFIRRQTKKLSPIMEQSPADDAAAAGAPLLPPSARQGTIMADGFASSCLSMTQPPPPALLSFRDQTLCPAEASGAAGWETNASPPQNPLRPIREPFQILEDPERPGSPEPDQNRLGDVPMSPQCAPKASAEPDLDAFLSPCRPGSACTTRTRDVPMSPAAPDDLQLVSDPWDPDRISELLSRLHPPLTSHPCCYSWPCAVPSIGPKKTLSMGSSSLRVDAVLGQGAFATVFQATDPATSNRMVLKVQKPANPWEFYINTCLDARLPPSVRHLFGSIRSAHLFLDGSIMLGELHNYGTLLNAVNLFRAQSDRVMPPPLVLHFAICILHTVEQLHAAHIVHADIKPDNFLLGERFLENRSFDADGVDHGLVLIDLGQSIDMALFPECTAFTARCLTSGFQCTEMLSGKPWSYQTDYFGIAGTVYCLLFGTYMQVVNEGGVWQTNGIFRRKPHADLWLDFFHTLLNVPDCGALPSLQGLRRRLAAVLQQHYSSKLATLKSRLVVQLLENHRARR
					

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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	41.9	Very low	36.1	Very low	241 Å²	241	165.4 Å²	165.4	100%	1.187	87%	0.871	S	S	*	*				0	119.8	0	-100.1	-176.4	165.8	0	0	108.5
2	Q	31.4	Very low	36.4	Very low	201 Å²	201	163.3 Å²	163.3	94%	0.939	87%	0.87	S	S	*	*			trans	175	154.4	142.7	-98.2	166.6	-1.6	0	0	107.6
3	R	29.2	Very low	36.9	Very low	243 Å²	243	160.5 Å²	160.5	92%	0.917	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-101.2	142	-176.1	-68.2	178.6	175.8	171.4	-3.2	110.4
4	P	35.8	Very low	37.6	Very low	121 Å²	121	153.8 Å²	153.8	79%	0.786	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-72.2	155.3	157.1	33.1	-33.1	0	0	0	110.5
5	S	32.6	Very low	38.4	Very low	106 Å²	106	154.3 Å²	154.3	74%	0.741	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-76.8	154.4	173.5	41.9	0	0	0	0	112.2
6	Q	36.1	Very low	39.5	Very low	189 Å²	189	153.1 Å²	153.1	88%	0.883	81%	0.81	S	S	*	*			trans	-121.6	96.8	168.8	-75.8	-174.8	-42.7	0	0	109.2
7	D	36.4	Very low	40.7	Very low	159 Å²	159	147.9 Å²	147.9	85%	0.85	79%	0.79	S	S	*	*			trans	-93.6	89.4	161.5	-75	-53.2	0	0	0	108.3	A9	D7-A9 PolarHBondContact O-N 3.1Å
8	A	37.5	Very low	41.6	Very low	92 Å²	92	147.7 Å²	147.7	76%	0.76	78%	0.783	S	S	*	*			trans	-86.3	93	175.5	0	0	0	0	0	109.5	T10	A8-T10 PolarHBondContact O-N 2.92Å; A8-T10 VanDerWaalsContact O-N 3.16Å
9	A	38.9	Very low	42.5	Very low	97 Å²	97	147.1 Å²	147.1	80%	0.802	78%	0.78	S	S	*	*			trans	-61.1	115.9	174.5	0	0	0	0	0	110.5	D7 R11	D7-A9 PolarHBondContact O-N 3.1Å; A9-R11 PolarHBondContact O-N 3.09Å
10	T	38.4	Very low	43.3	Very low	137 Å²	137	143 Å²	143	84%	0.84	77%	0.768	S	S	*	*			trans	-65	103.2	176.6	-0.4	0	0	0	0	109.4	A8 T12	A8-T10 PolarHBondContact O-N 2.92Å; A8-T10 VanDerWaalsContact O-N 3.16Å; T10-T12 PolarHBondContact O-N 3.31Å; T10-T12 VanDerWaalsContact O-N 3.09Å
11	R	38.8	Very low	43.9	Very low	233 Å²	233	138 Å²	138	88%	0.879	74%	0.741	S	S	*	*			trans	-74.1	100.7	-179.7	-162.6	177.1	-167.4	176.7	3	109.1	A9 V13	A9-R11 PolarHBondContact O-N 3.09Å; R11-V13 PolarHBondContact O-N 3.34Å
12	T	39.7	Very low	44.6	Very low	140 Å²	140	129.8 Å²	129.8	86%	0.859	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-59.9	118.8	176	-31.6	0	0	0	0	109.3	T10	T10-T12 PolarHBondContact O-N 3.31Å; T10-T12 VanDerWaalsContact O-N 3.09Å
13	V	43.2	Very low	45.9	Very low	127 Å²	127	124.5 Å²	124.5	77%	0.77	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-90.8	126.1	173.9	179.5	0	0	0	0	107.5	R11	R11-V13 PolarHBondContact O-N 3.34Å
14	S	46.1	Very low	47.2	Very low	67 Å²	67	119.9 Å²	119.9	47%	0.469	67%	0.673	S	S	.	*	P	Polyproline II helix	trans	-65.3	134.5	169.9	179	0	0	0	0	109.6	Y16	S14-Y16 WeakPolarHBondContact CB-O 3.36Å; S14-Y16 PolarHBondContact O-N 3.44Å; S14-Y16 PolarHBondContact OG-N 3.13Å; S14-Y16 VanDerWaalsContact OG-N 3.14Å; S14-Y16 PolarHBondContact OG-O 3.31Å
15	E	50.6	Low	48.3	Very low	161 Å²	161	117.5 Å²	117.5	75%	0.752	67%	0.671	S	S	*	*	S	Bend	trans	-73.3	-4.5	172.8	-174	177	-125.2	0	0	112
16	Y	55.9	Low	49.5	Very low	135 Å²	135	116.1 Å²	116.1	53%	0.529	66%	0.657	S	S	.	*	S	Bend	trans	-131.2	138.2	-175.6	-51.5	-83.8	0	0	0	111.2	S14 E18	S14-Y16 WeakPolarHBondContact CB-O 3.36Å; S14-Y16 PolarHBondContact O-N 3.44Å; S14-Y16 PolarHBondContact OG-N 3.13Å; S14-Y16 VanDerWaalsContact OG-N 3.14Å; S14-Y16 PolarHBondContact OG-O 3.31Å; Y16-E18 PolarHBondContact O-N 3.01Å
17	S	59.6	Low	50.9	Low	66 Å²	66	115.5 Å²	115.5	46%	0.462	66%	0.655	S	S	.	*			trans	-71.3	123.7	171.5	156.5	0	0	0	0	110.1	D19 A20	S17-D19 VanDerWaalsContact C-N 3.25Å; S17-D19 PolarHBondContact O-N 3.49Å; S17-D19 WeakPolarHBondContact OG-CB 3.39Å; S17-D19 PolarHBondContact OG-N 2.67Å; S17-D19 PolarHBondContact OG-OD2 2.7Å; S17-A20 WeakPolarHBondContact O-CB 3.47Å; S17-A20 PolarHBondContact O-N 2.75Å
18	E	57	Low	52.1	Low	143 Å²	143	111.2 Å²	111.2	67%	0.668	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-66.7	-30.4	177	-65.6	171.7	157.6	0	0	110.9	Y16 A20 L21 V22	Y16-E18 PolarHBondContact O-N 3.01Å; E18-A20 PolarHBondContact O-N 2.98Å; E18-A20 VanDerWaalsContact O-N 3.12Å; E18-L21 WeakPolarHBondContact O-CB 3.35Å; E18-L21 PolarHBondContact O-N 3.36Å; E18-V22 PolarHBondContact O-N 3.13Å
19	D	59.4	Low	53.8	Low	137 Å²	137	110 Å²	110	73%	0.733	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-60.4	-21.2	174.3	-34.7	-85.5	0	0	0	113.1	S17	S17-D19 VanDerWaalsContact C-N 3.25Å; S17-D19 PolarHBondContact O-N 3.49Å; S17-D19 WeakPolarHBondContact OG-CB 3.39Å; S17-D19 PolarHBondContact OG-N 2.67Å; S17-D19 PolarHBondContact OG-OD2 2.7Å
20	A	57.4	Low	54.7	Low	65 Å²	65	111.6 Å²	111.6	54%	0.537	60%	0.603	S	S	.	*	G	3₁₀ helix	trans	-87.5	-3.6	175.8	0	0	0	0	0	114	S17 E18	S17-A20 WeakPolarHBondContact O-CB 3.47Å; S17-A20 PolarHBondContact O-N 2.75Å; E18-A20 PolarHBondContact O-N 2.98Å; E18-A20 VanDerWaalsContact O-N 3.12Å
21	L	56.9	Low	55.8	Low	38 Å²	38	109.7 Å²	109.7	20%	0.199	58%	0.584	C	S	.	*	T	Hydrogen-bonded Turn	trans	-108.9	-18	176.8	-71.2	162.9	0	0	0	112.6	E18 F28 F30 V33	E18-L21 WeakPolarHBondContact O-CB 3.35Å; E18-L21 PolarHBondContact O-N 3.36Å; L21-F28 PolarHBondContact O-N 3.39Å; L21-F30 HydrophobicContact CD1-CE1 4.28Å; L21-F30 HydrophobicContact CD1-CZ 4.09Å; L21-F30 HydrophobicContact CD2-CD1 4.02Å; L21-F30 HydrophobicContact CD2-CE1 3.91Å; L21-F30 HydrophobicContact CD2-CG 4.49Å; L21-F30 HydrophobicContact CD2-CZ 4.27Å; L21-V33 HydrophobicContact CD2-CG2 4.01Å
22	V	56	Low	57.2	Low	68 Å²	68	103 Å²	103	41%	0.412	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.1	130.2	177.5	-178.5	0	0	0	0	111.1	E18 E27	E18-V22 PolarHBondContact O-N 3.13Å; V22-E27 HydrophobicContact CG2-CG 4.09Å
23	H	57.9	Low	58.5	Low	90 Å²	90	97.8 Å²	97.8	42%	0.417	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	138.4	167.9	179.7	-43.7	0	0	0	108	G25 T26 F28	H23-G25 PolarHBondContact O-N 2.95Å; H23-G25 VanDerWaalsContact O-N 3.08Å; H23-T26 PolarHBondContact N-O 3.44Å; H23-T26 PolarHBondContact O-N 3.32Å; H23-T26 PolarHBondContact O-OG1 3.4Å; H23-F28 HydrophobicContact CB-CD2 3.91Å; H23-F28 HydrophobicContact CB-CE2 3.65Å; H23-F28 WeakPolarHBondContact O-CE2 3.48Å
24	D	58	Low	59.5	Low	147 Å²	147	96.3 Å²	96.3	79%	0.786	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.4	31.5	-172.1	-59.2	-29.3	0	0	0	115.8	T26	D24-T26 VanDerWaalsContact C-N 3.29Å; D24-T26 PolarHBondContact O-N 3.4Å
25	G	58.8	Low	60.2	Low	71 Å²	71	94.1 Å²	94.1	73%	0.732	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	5.6	178.5	0	0	0	0	0	115.2	H23	H23-G25 PolarHBondContact O-N 2.95Å; H23-G25 VanDerWaalsContact O-N 3.08Å
26	T	56	Low	61.2	Low	76 Å²	76	89 Å²	89	47%	0.466	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	133.2	171	43.5	0	0	0	0	111.4	H23 D24 F28	H23-T26 PolarHBondContact N-O 3.44Å; H23-T26 PolarHBondContact O-N 3.32Å; H23-T26 PolarHBondContact O-OG1 3.4Å; D24-T26 VanDerWaalsContact C-N 3.29Å; D24-T26 PolarHBondContact O-N 3.4Å; T26-F28 PolarHBondContact O-N 3.42Å; T26-F28 WeakPolarHBondContact OG1-CE2 3.45Å
27	E	67	Low	61.9	Low	177 Å²	177	89 Å²	89	83%	0.827	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	112.1	167.1	-71.7	172.8	-157.5	0	0	109.2	V22	V22-E27 HydrophobicContact CG2-CG 4.09Å
28	F	61.3	Low	62.3	Low	69 Å²	69	89.9 Å²	89.9	30%	0.303	47%	0.47	S	S	.	.			trans	-84.5	141.1	175.5	-77.8	-79.6	0	0	0	111	L21 H23 T26 E32 V33	L21-F28 PolarHBondContact O-N 3.39Å; H23-F28 HydrophobicContact CB-CD2 3.91Å; H23-F28 HydrophobicContact CB-CE2 3.65Å; H23-F28 WeakPolarHBondContact O-CE2 3.48Å; T26-F28 PolarHBondContact O-N 3.42Å; T26-F28 WeakPolarHBondContact OG1-CE2 3.45Å; F28-E32 HydrophobicContact CB-CB 4.13Å; F28-E32 HydrophobicContact CD1-CB 3.58Å; F28-E32 HydrophobicContact CD1-CG 4.24Å; F28-E32 HydrophobicContact CE1-CB 4.46Å; F28-E32 HydrophobicContact CG-CB 4.3Å; F28-V33 HydrophobicContact CB-CG2 3.63Å
29	C	73.2	Confident	62.5	Low	65 Å²	65	85.4 Å²	85.4	44%	0.439	45%	0.449	S	S	.	.			trans	-71.1	159.7	171.1	80	0	0	0	0	111.2	E31 E32 V33	C29-E31 PolarHBondContact O-N 2.9Å; C29-E32 PolarHBondContact N-OE2 2.82Å; C29-E32 PolarHBondContact O-N 3.42Å; C29-E32 PolarHBondContact SG-OE2 2.82Å; C29-V33 PolarHBondContact O-N 2.93Å; C29-V33 VanDerWaalsContact O-N 3.11Å
30	F	58.1	Low	63.4	Low	132 Å²	132	84.1 Å²	84.1	58%	0.579	43%	0.433	S	S	*	.	H	α-helix	trans	-56.7	-23.7	-177.8	-69.4	-83.3	0	0	0	114.8	L21 R34	L21-F30 HydrophobicContact CD1-CE1 4.28Å; L21-F30 HydrophobicContact CD1-CZ 4.09Å; L21-F30 HydrophobicContact CD2-CD1 4.02Å; L21-F30 HydrophobicContact CD2-CE1 3.91Å; L21-F30 HydrophobicContact CD2-CG 4.49Å; L21-F30 HydrophobicContact CD2-CZ 4.27Å; F30-R34 WeakPolarHBondContact O-CB 3.18Å; F30-R34 PolarHBondContact O-N 2.86Å
31	E	61.5	Low	64.4	Low	97 Å²	97	87.7 Å²	87.7	45%	0.453	44%	0.437	S	S	.	.	H	α-helix	trans	-80.9	-32.1	175.1	-63.9	-57.9	148.4	0	0	112.6	C29 R34 A35	C29-E31 PolarHBondContact O-N 2.9Å; E31-R34 VanDerWaalsContact CD-CZ 3.43Å; E31-R34 WeakPolarHBondContact O-CB 3.25Å; E31-R34 PolarHBondContact O-N 3.22Å; E31-R34 IonicContact OE1-CZ 3.5Å; E31-R34 IonicContact OE1-NH1 3.42Å; E31-R34 PolarHBondContact OE1-NH1 3.25Å; E31-R34 IonicContact OE1-NH2 3.37Å; E31-R34 PolarHBondContact OE1-NH2 3.07Å; E31-R34 IonicContact OE2-CZ 2.68Å; E31-R34 IonicContact OE2-NE 3.15Å; E31-R34 IonicContact OE2-NH1 3.23Å; E31-R34 PolarHBondContact OE2-NH1 3.31Å; E31-R34 IonicContact OE2-NH2 3.57Å; E31-A35 WeakPolarHBondContact O-CB 3.36Å; E31-A35 PolarHBondContact O-N 2.73Å
32	E	67.9	Low	65.1	Low	93 Å²	93	88.6 Å²	88.6	44%	0.435	44%	0.441	S	S	.	.	H	α-helix	trans	-73.5	-42.5	176.1	-68.6	163.6	128.4	0	0	111.2	F28 C29 R34 A35 E36	F28-E32 HydrophobicContact CB-CB 4.13Å; F28-E32 HydrophobicContact CD1-CB 3.58Å; F28-E32 HydrophobicContact CD1-CG 4.24Å; F28-E32 HydrophobicContact CE1-CB 4.46Å; F28-E32 HydrophobicContact CG-CB 4.3Å; C29-E32 PolarHBondContact N-OE2 2.82Å; C29-E32 PolarHBondContact O-N 3.42Å; C29-E32 PolarHBondContact SG-OE2 2.82Å; E32-R34 PolarHBondContact O-N 2.79Å; E32-A35 PolarHBondContact O-N 3.44Å; E32-E36 WeakPolarHBondContact O-CB 3.32Å; E32-E36 PolarHBondContact O-N 3.41Å
33	V	67	Low	66.2	Low	29 Å²	29	90.8 Å²	90.8	18%	0.176	44%	0.442	C	S	.	.	H	α-helix	trans	-60.7	-32.4	171.7	-179.4	0	0	0	0	111.3	L21 F28 C29 K37	L21-V33 HydrophobicContact CD2-CG2 4.01Å; F28-V33 HydrophobicContact CB-CG2 3.63Å; C29-V33 PolarHBondContact O-N 2.93Å; C29-V33 VanDerWaalsContact O-N 3.11Å; V33-K37 WeakPolarHBondContact O-CG 3.37Å; V33-K37 PolarHBondContact O-N 3.45Å
34	R	63.7	Low	67.3	Low	96 Å²	96	91 Å²	91	36%	0.362	44%	0.443	S	S	.	.	H	α-helix	trans	-71.4	-45.9	173.7	-169.7	-175.2	-56.6	151.3	15.8	111.8	F30 E31 E32 K37 Y38	F30-R34 WeakPolarHBondContact O-CB 3.18Å; F30-R34 PolarHBondContact O-N 2.86Å; E31-R34 VanDerWaalsContact CD-CZ 3.43Å; E31-R34 WeakPolarHBondContact O-CB 3.25Å; E31-R34 PolarHBondContact O-N 3.22Å; E31-R34 IonicContact OE1-CZ 3.5Å; E31-R34 IonicContact OE1-NH1 3.42Å; E31-R34 PolarHBondContact OE1-NH1 3.25Å; E31-R34 IonicContact OE1-NH2 3.37Å; E31-R34 PolarHBondContact OE1-NH2 3.07Å; E31-R34 IonicContact OE2-CZ 2.68Å; E31-R34 IonicContact OE2-NE 3.15Å; E31-R34 IonicContact OE2-NH1 3.23Å; E31-R34 PolarHBondContact OE2-NH1 3.31Å; E31-R34 IonicContact OE2-NH2 3.57Å; E32-R34 PolarHBondContact O-N 2.79Å; R34-K37 PolarHBondContact O-N 3.5Å; R34-Y38 PolarHBondContact O-N 3.42Å
35	A	61.6	Low	68.4	Low	22 Å²	22	92 Å²	92	18%	0.182	44%	0.436	C	S	.	.	H	α-helix	trans	-62	-43.3	177.7	0	0	0	0	0	111.9	E31 E32 Y38 F39 A598	E31-A35 WeakPolarHBondContact O-CB 3.36Å; E31-A35 PolarHBondContact O-N 2.73Å; E32-A35 PolarHBondContact O-N 3.44Å; A35-Y38 WeakPolarHBondContact O-CB 3.28Å; A35-Y38 PolarHBondContact O-N 3.04Å; A35-Y38 VanDerWaalsContact O-N 3.16Å; A35-F39 HydrophobicContact CB-CD2 4.41Å; A35-F39 HydrophobicContact CB-CE2 4.2Å; A35-F39 WeakPolarHBondContact O-CD2 3.25Å; A35-F39 PolarHBondContact O-N 3.35Å; A35-A598 HydrophobicContact CB-CB 3.98Å
36	E	71.3	Confident	69.3	Low	54 Å²	54	91.9 Å²	91.9	25%	0.252	42%	0.417	S	S	.	.	H	α-helix	trans	-68.1	-37.9	178.3	172.7	38.9	-141	0	0	111.9	E32 Y38 F39 R40 R43	E32-E36 WeakPolarHBondContact O-CB 3.32Å; E32-E36 PolarHBondContact O-N 3.41Å; E36-Y38 VanDerWaalsContact C-N 3.3Å; E36-Y38 PolarHBondContact O-N 3.31Å; E36-F39 PolarHBondContact O-N 3.07Å; E36-R40 WeakPolarHBondContact O-CB 3.36Å; E36-R40 PolarHBondContact O-N 2.97Å; E36-R40 IonicContact OE1-CZ 2.68Å; E36-R40 IonicContact OE1-NE 2.74Å; E36-R40 PolarHBondContact OE1-NE 3.44Å; E36-R40 IonicContact OE1-NH2 3.12Å; E36-R40 PolarHBondContact OE1-NH2 2.87Å; E36-R40 VanDerWaalsContact OE1-NH2 3.12Å; E36-R43 VanDerWaalsContact CD-NH2 3.28Å; E36-R43 IonicContact OE1-CZ 3.12Å; E36-R43 IonicContact OE1-NH2 2.72Å; E36-R43 PolarHBondContact OE1-NH2 2.73Å; E36-R43 IonicContact OE2-CZ 2.67Å; E36-R43 IonicContact OE2-NH1 2.69Å; E36-R43 PolarHBondContact OE2-NH1 2.7Å; E36-R43 IonicContact OE2-NH2 2.75Å; E36-R43 PolarHBondContact OE2-NH2 3.38Å
37	K	70.3	Confident	70.5	Confident	133 Å²	133	92.6 Å²	92.6	58%	0.578	42%	0.415	S	S	*	.	H	α-helix	trans	-60.9	-37.6	169.6	-76.3	174.2	-178.9	173.5	0	112.6	V33 R34 K41	V33-K37 WeakPolarHBondContact O-CG 3.37Å; V33-K37 PolarHBondContact O-N 3.45Å; R34-K37 PolarHBondContact O-N 3.5Å; K37-K41 PolarHBondContact O-N 3.11Å
38	Y	68.9	Low	71.5	Confident	86 Å²	86	91 Å²	91	34%	0.337	40%	0.401	S	S	.	.	H	α-helix	trans	-67	-49.3	175	173	-98.2	0	0	0	112.1	R34 A35 E36 R40 K41 I42 F599 L765	R34-Y38 PolarHBondContact O-N 3.42Å; A35-Y38 WeakPolarHBondContact O-CB 3.28Å; A35-Y38 PolarHBondContact O-N 3.04Å; A35-Y38 VanDerWaalsContact O-N 3.16Å; E36-Y38 VanDerWaalsContact C-N 3.3Å; E36-Y38 PolarHBondContact O-N 3.31Å; Y38-R40 PolarHBondContact O-N 3.23Å; Y38-K41 WeakPolarHBondContact O-CB 3.19Å; Y38-K41 PolarHBondContact O-N 3.21Å; Y38-I42 HydrophobicContact CD1-CD1 4.09Å; Y38-I42 HydrophobicContact CE1-CD1 3.42Å; Y38-I42 VanDerWaalsContact CE1-CD1 3.42Å; Y38-I42 HydrophobicContact CE2-CD1 4.19Å; Y38-I42 VanDerWaalsContact CZ-CD1 3.5Å; Y38-I42 PolarHBondContact O-N 3.38Å; Y38-I42 VanDerWaalsContact O-N 3.09Å; Y38-F599 HydrophobicContact CE1-CE1 4.05Å; Y38-F599 HydrophobicContact CE1-CZ 4.35Å; Y38-L765 HydrophobicContact CD2-CB 4.47Å; Y38-L765 HydrophobicContact CD2-CD1 4.31Å; Y38-L765 HydrophobicContact CE2-CB 4.32Å; Y38-L765 HydrophobicContact CE2-CD1 3.82Å
39	F	61	Low	72.6	Confident	49 Å²	49	92 Å²	92	22%	0.215	41%	0.406	C	S	.	.	H	α-helix	trans	-68.2	-35.7	179.9	-69.7	-55	0	0	0	113.1	A35 E36 K41 I42 R43 A598 F599	A35-F39 HydrophobicContact CB-CD2 4.41Å; A35-F39 HydrophobicContact CB-CE2 4.2Å; A35-F39 WeakPolarHBondContact O-CD2 3.25Å; A35-F39 PolarHBondContact O-N 3.35Å; E36-F39 PolarHBondContact O-N 3.07Å; F39-K41 VanDerWaalsContact C-N 3.32Å; F39-K41 PolarHBondContact O-N 2.84Å; F39-I42 CarbonylContact O-C 3.55Å; F39-I42 PolarHBondContact O-N 2.95Å; F39-I42 VanDerWaalsContact O-N 3.11Å; F39-R43 VanDerWaalsContact O-CG 3.31Å; F39-R43 WeakPolarHBondContact O-CG 3.32Å; F39-R43 PolarHBondContact O-N 3.27Å; F39-A598 HydrophobicContact CE2-CB 3.66Å; F39-A598 VanDerWaalsContact CE2-O 3.27Å; F39-A598 WeakPolarHBondContact CE2-O 3.27Å; F39-A598 HydrophobicContact CZ-CB 3.83Å; F39-A598 WeakPolarHBondContact CZ-O 3.32Å; F39-F599 HydrophobicContact CE1-CD1 4.16Å; F39-F599 AromaticContact CE1-CE1 3.94Å; F39-F599 HydrophobicContact CE1-CE1 3.94Å; F39-F599 AromaticContact CZ-CD1 3.82Å; F39-F599 HydrophobicContact CZ-CD1 3.82Å; F39-F599 AromaticContact CZ-CE1 3.72Å; F39-F599 HydrophobicContact CZ-CE1 3.72Å; F39-F599 HydrophobicContact CZ-CZ 4.46Å
40	R	77.1	Confident	73.1	Confident	109 Å²	109	96 Å²	96	41%	0.411	41%	0.412	S	S	.	.	H	α-helix	trans	-54.1	-49.2	171.4	-169.1	179.7	-55.3	-171.1	-0.3	111.3	E36 Y38 I42 R43 E44	E36-R40 WeakPolarHBondContact O-CB 3.36Å; E36-R40 PolarHBondContact O-N 2.97Å; E36-R40 IonicContact OE1-CZ 2.68Å; E36-R40 IonicContact OE1-NE 2.74Å; E36-R40 PolarHBondContact OE1-NE 3.44Å; E36-R40 IonicContact OE1-NH2 3.12Å; E36-R40 PolarHBondContact OE1-NH2 2.87Å; E36-R40 VanDerWaalsContact OE1-NH2 3.12Å; Y38-R40 PolarHBondContact O-N 3.23Å; R40-I42 VanDerWaalsContact C-N 3.32Å; R40-I42 PolarHBondContact O-N 3.08Å; R40-R43 PolarHBondContact O-N 2.76Å; R40-E44 WeakPolarHBondContact O-CB 3.21Å; R40-E44 VanDerWaalsContact O-CG 3.3Å; R40-E44 WeakPolarHBondContact O-CG 3.5Å; R40-E44 PolarHBondContact O-N 2.8Å
41	K	78.3	Confident	74.4	Confident	141 Å²	141	96.8 Å²	96.8	61%	0.613	41%	0.411	S	S	*	.	H	α-helix	trans	-62.9	-33.1	176.3	-167.1	176.2	-177.1	179.4	0	113.3	K37 Y38 F39 R45	K37-K41 PolarHBondContact O-N 3.11Å; Y38-K41 WeakPolarHBondContact O-CB 3.19Å; Y38-K41 PolarHBondContact O-N 3.21Å; F39-K41 VanDerWaalsContact C-N 3.32Å; F39-K41 PolarHBondContact O-N 2.84Å; K41-R45 WeakPolarHBondContact O-CB 3.31Å; K41-R45 PolarHBondContact O-N 3.36Å; K41-R45 VanDerWaalsContact O-N 3.11Å
42	I	73	Confident	75.7	Confident	56 Å²	56	95.7 Å²	95.7	29%	0.287	41%	0.406	S	S	.	.	H	α-helix	trans	-71.1	-45.3	172.3	-72.5	-177.5	0	0	0	111.6	Y38 F39 R40 E44 R45 Q46	Y38-I42 HydrophobicContact CD1-CD1 4.09Å; Y38-I42 HydrophobicContact CE1-CD1 3.42Å; Y38-I42 VanDerWaalsContact CE1-CD1 3.42Å; Y38-I42 HydrophobicContact CE2-CD1 4.19Å; Y38-I42 VanDerWaalsContact CZ-CD1 3.5Å; Y38-I42 PolarHBondContact O-N 3.38Å; Y38-I42 VanDerWaalsContact O-N 3.09Å; F39-I42 CarbonylContact O-C 3.55Å; F39-I42 PolarHBondContact O-N 2.95Å; F39-I42 VanDerWaalsContact O-N 3.11Å; R40-I42 VanDerWaalsContact C-N 3.32Å; R40-I42 PolarHBondContact O-N 3.08Å; I42-E44 PolarHBondContact O-N 3.41Å; I42-R45 PolarHBondContact O-N 3Å; I42-R45 VanDerWaalsContact O-N 3.16Å; I42-Q46 HydrophobicContact CG2-CG 4.33Å; I42-Q46 WeakPolarHBondContact O-CG 3.31Å; I42-Q46 PolarHBondContact O-N 3.49Å
43	R	77.5	Confident	76.7	Confident	114 Å²	114	94.7 Å²	94.7	43%	0.43	40%	0.404	S	S	.	.	H	α-helix	trans	-60	-46.8	177.7	-67.5	-177.5	-51.9	-113.5	5.5	110	E36 F39 R40 R45 Q46 E47	E36-R43 VanDerWaalsContact CD-NH2 3.28Å; E36-R43 IonicContact OE1-CZ 3.12Å; E36-R43 IonicContact OE1-NH2 2.72Å; E36-R43 PolarHBondContact OE1-NH2 2.73Å; E36-R43 IonicContact OE2-CZ 2.67Å; E36-R43 IonicContact OE2-NH1 2.69Å; E36-R43 PolarHBondContact OE2-NH1 2.7Å; E36-R43 IonicContact OE2-NH2 2.75Å; E36-R43 PolarHBondContact OE2-NH2 3.38Å; F39-R43 VanDerWaalsContact O-CG 3.31Å; F39-R43 WeakPolarHBondContact O-CG 3.32Å; F39-R43 PolarHBondContact O-N 3.27Å; R40-R43 PolarHBondContact O-N 2.76Å; R43-R45 PolarHBondContact O-N 3.36Å; R43-Q46 PolarHBondContact O-N 3.16Å; R43-E47 WeakPolarHBondContact O-CG 3.44Å; R43-E47 PolarHBondContact O-N 3Å
44	E	82.9	Confident	77.6	Confident	95 Å²	95	99.2 Å²	99.2	44%	0.444	43%	0.425	S	S	.	.	H	α-helix	trans	-55.6	-43.8	171.9	-73.2	167.4	-162.1	0	0	113.3	R40 I42 R48	R40-E44 WeakPolarHBondContact O-CB 3.21Å; R40-E44 VanDerWaalsContact O-CG 3.3Å; R40-E44 WeakPolarHBondContact O-CG 3.5Å; R40-E44 PolarHBondContact O-N 2.8Å; I42-E44 PolarHBondContact O-N 3.41Å; E44-R48 WeakPolarHBondContact O-CB 3.23Å; E44-R48 PolarHBondContact O-N 2.92Å
45	R	79.6	Confident	78.8	Confident	167 Å²	167	101.2 Å²	101.2	63%	0.63	44%	0.438	S	S	*	.	H	α-helix	trans	-65	-49.5	177.2	-175.7	179.5	176.5	-171.4	-3.4	111.2	K41 I42 R43 E47 R48 E49	K41-R45 WeakPolarHBondContact O-CB 3.31Å; K41-R45 PolarHBondContact O-N 3.36Å; K41-R45 VanDerWaalsContact O-N 3.11Å; I42-R45 PolarHBondContact O-N 3Å; I42-R45 VanDerWaalsContact O-N 3.16Å; R43-R45 PolarHBondContact O-N 3.36Å; R45-E47 VanDerWaalsContact C-N 3.34Å; R45-E47 PolarHBondContact O-N 3.23Å; R45-R48 WeakPolarHBondContact O-CB 3.42Å; R45-R48 PolarHBondContact O-N 3.5Å; R45-E49 WeakPolarHBondContact O-CB 3.49Å; R45-E49 PolarHBondContact O-N 3.2Å
46	Q	77.2	Confident	80.1	Confident	70 Å²	70	106.6 Å²	106.6	33%	0.327	45%	0.454	S	S	.	.	H	α-helix	trans	-63.9	-37.5	179.5	-68.9	-173.8	7.4	0	0	112.5	I42 R43 R50	I42-Q46 HydrophobicContact CG2-CG 4.33Å; I42-Q46 WeakPolarHBondContact O-CG 3.31Å; I42-Q46 PolarHBondContact O-N 3.49Å; R43-Q46 PolarHBondContact O-N 3.16Å; Q46-R50 WeakPolarHBondContact O-CB 3.49Å; Q46-R50 VanDerWaalsContact O-CG 3.25Å; Q46-R50 WeakPolarHBondContact O-CG 3.36Å; Q46-R50 PolarHBondContact O-N 3.19Å; Q46-R50 VanDerWaalsContact OE1-NH2 3.11Å
47	E	82.3	Confident	80.8	Confident	91 Å²	91	109.9 Å²	109.9	43%	0.425	47%	0.469	S	S	.	.	H	α-helix	trans	-68.1	-40.2	174.6	-71.7	-175.9	-179.3	0	0	112.2	R43 R45 E49 R50 R51	R43-E47 WeakPolarHBondContact O-CG 3.44Å; R43-E47 PolarHBondContact O-N 3Å; R45-E47 VanDerWaalsContact C-N 3.34Å; R45-E47 PolarHBondContact O-N 3.23Å; E47-E49 VanDerWaalsContact C-N 3.32Å; E47-E49 PolarHBondContact O-N 3.17Å; E47-R50 PolarHBondContact O-N 3.36Å; E47-R51 VanDerWaalsContact O-CG 3.27Å; E47-R51 WeakPolarHBondContact O-CG 3.42Å; E47-R51 PolarHBondContact O-N 2.86Å; E47-R51 IonicContact OE2-CZ 2.74Å; E47-R51 IonicContact OE2-NH1 3.62Å; E47-R51 PolarHBondContact OE2-NH1 2.95Å; E47-R51 IonicContact OE2-NH2 2.84Å; E47-R51 PolarHBondContact OE2-NH2 2.96Å
48	R	87.7	Confident	81.7	Confident	143 Å²	143	108.1 Å²	108.1	54%	0.54	47%	0.465	S	S	.	.	H	α-helix	trans	-59	-46.3	174.1	-171	-171.7	-50.8	173.6	5	110.8	E44 R45 R51 E52	E44-R48 WeakPolarHBondContact O-CB 3.23Å; E44-R48 PolarHBondContact O-N 2.92Å; R45-R48 WeakPolarHBondContact O-CB 3.42Å; R45-R48 PolarHBondContact O-N 3.5Å; R48-R51 WeakPolarHBondContact O-CB 3.37Å; R48-R51 PolarHBondContact O-N 2.89Å; R48-E52 WeakPolarHBondContact O-CG 3.42Å; R48-E52 PolarHBondContact O-N 3.06Å
49	E	83.8	Confident	82.7	Confident	89 Å²	89	111.2 Å²	111.2	42%	0.416	48%	0.477	S	S	.	.	H	α-helix	trans	-63.7	-39.4	176.4	-178.5	162.9	-130.9	0	0	113	R45 E47 E52 N53	R45-E49 WeakPolarHBondContact O-CB 3.49Å; R45-E49 PolarHBondContact O-N 3.2Å; E47-E49 VanDerWaalsContact C-N 3.32Å; E47-E49 PolarHBondContact O-N 3.17Å; E49-E52 PolarHBondContact O-N 3.02Å; E49-N53 VanDerWaalsContact O-CB 3.32Å; E49-N53 WeakPolarHBondContact O-CB 3.49Å; E49-N53 PolarHBondContact O-N 2.69Å; E49-N53 PolarHBondContact O-ND2 3.13Å
50	R	84.1	Confident	83.9	Confident	150 Å²	150	115 Å²	115	57%	0.566	50%	0.495	S	S	*	.	H	α-helix	trans	-62.6	-43.1	170.8	-74.8	173.2	-173.9	114.6	8.4	112	Q46 E47 M54	Q46-R50 WeakPolarHBondContact O-CB 3.49Å; Q46-R50 VanDerWaalsContact O-CG 3.25Å; Q46-R50 WeakPolarHBondContact O-CG 3.36Å; Q46-R50 PolarHBondContact O-N 3.19Å; Q46-R50 VanDerWaalsContact OE1-NH2 3.11Å; E47-R50 PolarHBondContact O-N 3.36Å; R50-M54 WeakPolarHBondContact O-CB 3.44Å; R50-M54 PolarHBondContact O-N 3.03Å
51	R	86.4	Confident	84.4	Confident	148 Å²	148	115.6 Å²	115.6	56%	0.558	50%	0.503	S	S	*	.	H	α-helix	trans	-62.4	-47.6	175	-70	170.2	-170.9	111	5.1	111.1	E47 R48 M54 Q55	E47-R51 VanDerWaalsContact O-CG 3.27Å; E47-R51 WeakPolarHBondContact O-CG 3.42Å; E47-R51 PolarHBondContact O-N 2.86Å; E47-R51 IonicContact OE2-CZ 2.74Å; E47-R51 IonicContact OE2-NH1 3.62Å; E47-R51 PolarHBondContact OE2-NH1 2.95Å; E47-R51 IonicContact OE2-NH2 2.84Å; E47-R51 PolarHBondContact OE2-NH2 2.96Å; R48-R51 WeakPolarHBondContact O-CB 3.37Å; R48-R51 PolarHBondContact O-N 2.89Å; R51-M54 PolarHBondContact O-N 3.32Å; R51-Q55 WeakPolarHBondContact O-CB 3.47Å; R51-Q55 PolarHBondContact O-N 3.15Å
52	E	89.3	Confident	85	Confident	75 Å²	75	114.3 Å²	114.3	35%	0.35	50%	0.499	S	S	.	.	H	α-helix	trans	-61.8	-44.6	177.4	-76.1	-178	-138.9	0	0	112.2	R48 E49 Q55 R56	R48-E52 WeakPolarHBondContact O-CG 3.42Å; R48-E52 PolarHBondContact O-N 3.06Å; E49-E52 PolarHBondContact O-N 3.02Å; E52-Q55 PolarHBondContact O-N 2.94Å; E52-R56 WeakPolarHBondContact O-CB 3.43Å; E52-R56 WeakPolarHBondContact O-CG 3.12Å; E52-R56 PolarHBondContact O-N 2.89Å; E52-R56 IonicContact OE2-CZ 2.75Å; E52-R56 IonicContact OE2-NH2 2.7Å; E52-R56 PolarHBondContact OE2-NH2 3.29Å
53	N	87.5	Confident	85.8	Confident	72 Å²	72	115.5 Å²	115.5	39%	0.385	50%	0.503	S	S	.	.	H	α-helix	trans	-67.7	-37.5	178.6	-77.2	-33.4	0	0	0	112.1	E49 R56 Q57	E49-N53 VanDerWaalsContact O-CB 3.32Å; E49-N53 WeakPolarHBondContact O-CB 3.49Å; E49-N53 PolarHBondContact O-N 2.69Å; E49-N53 PolarHBondContact O-ND2 3.13Å; N53-R56 PolarHBondContact O-N 3Å; N53-Q57 WeakPolarHBondContact O-CG 3.31Å; N53-Q57 PolarHBondContact O-N 3.37Å
54	M	86.8	Confident	86.3	Confident	123 Å²	123	116.2 Å²	116.2	61%	0.606	51%	0.511	S	S	*	.	H	α-helix	trans	-62.9	-41.9	170.5	-174.8	177.8	-70.6	0	0	111.5	R50 R51 Q57 L58	R50-M54 WeakPolarHBondContact O-CB 3.44Å; R50-M54 PolarHBondContact O-N 3.03Å; R51-M54 PolarHBondContact O-N 3.32Å; M54-Q57 PolarHBondContact O-N 2.78Å; M54-L58 HydrophobicContact CG-CD1 4.34Å; M54-L58 WeakPolarHBondContact O-CG 3.49Å; M54-L58 PolarHBondContact O-N 2.86Å
55	Q	87.5	Confident	86.7	Confident	138 Å²	138	115.2 Å²	115.2	65%	0.645	51%	0.511	S	S	*	.	H	α-helix	trans	-66.2	-37.7	177	-166.7	174	17.6	0	0	112.3	R51 E52 L58 W59	R51-Q55 WeakPolarHBondContact O-CB 3.47Å; R51-Q55 PolarHBondContact O-N 3.15Å; E52-Q55 PolarHBondContact O-N 2.94Å; Q55-L58 PolarHBondContact O-N 2.98Å; Q55-W59 WeakPolarHBondContact O-CB 3.45Å; Q55-W59 PolarHBondContact O-N 3.1Å
56	R	89.8	Confident	87.1	Confident	136 Å²	136	112.1 Å²	112.1	51%	0.513	50%	0.504	S	S	.	.	H	α-helix	trans	-63.9	-40.1	172.3	-68.4	166.5	-155.1	-154.3	9.1	111.6	E52 N53 Q60	E52-R56 WeakPolarHBondContact O-CB 3.43Å; E52-R56 WeakPolarHBondContact O-CG 3.12Å; E52-R56 PolarHBondContact O-N 2.89Å; E52-R56 IonicContact OE2-CZ 2.75Å; E52-R56 IonicContact OE2-NH2 2.7Å; E52-R56 PolarHBondContact OE2-NH2 3.29Å; N53-R56 PolarHBondContact O-N 3Å; R56-Q60 WeakPolarHBondContact O-CG 3.36Å; R56-Q60 PolarHBondContact O-N 3.38Å
57	Q	85.6	Confident	87.9	Confident	123 Å²	123	117.4 Å²	117.4	58%	0.575	52%	0.521	S	S	*	.	H	α-helix	trans	-66.3	-44.8	175.3	-74.4	176.2	0.3	0	0	112.3	N53 M54 W59 Q60 Q61	N53-Q57 WeakPolarHBondContact O-CG 3.31Å; N53-Q57 PolarHBondContact O-N 3.37Å; M54-Q57 PolarHBondContact O-N 2.78Å; Q57-W59 PolarHBondContact O-N 2.97Å; Q57-Q60 PolarHBondContact O-N 3.31Å; Q57-Q61 PolarHBondContact O-N 3.13Å
58	L	90.1	Very high	88.2	Confident	95 Å²	95	117.8 Å²	117.8	50%	0.497	53%	0.525	S	S	.	.	H	α-helix	trans	-60.4	-45.2	174.9	-72	169.2	0	0	0	111.2	M54 Q55 Q60 Q61 E62	M54-L58 HydrophobicContact CG-CD1 4.34Å; M54-L58 WeakPolarHBondContact O-CG 3.49Å; M54-L58 PolarHBondContact O-N 2.86Å; Q55-L58 PolarHBondContact O-N 2.98Å; L58-Q60 VanDerWaalsContact C-N 3.33Å; L58-Q60 PolarHBondContact O-N 3.01Å; L58-Q61 PolarHBondContact O-N 3.42Å; L58-Q61 VanDerWaalsContact O-N 3.14Å; L58-E62 PolarHBondContact O-N 3.04Å
59	W	88.6	Confident	88.1	Confident	151 Å²	151	116.7 Å²	116.7	57%	0.572	53%	0.526	S	S	*	.	H	α-helix	trans	-62.1	-38.2	176.3	-172.1	84.2	0	0	0	112.7	Q55 Q57 E62 Q63	Q55-W59 WeakPolarHBondContact O-CB 3.45Å; Q55-W59 PolarHBondContact O-N 3.1Å; Q57-W59 PolarHBondContact O-N 2.97Å; W59-E62 PolarHBondContact O-N 3.45Å; W59-Q63 HydrophobicContact CD2-CG 4.09Å; W59-Q63 HydrophobicContact CE3-CG 4Å; W59-Q63 HydrophobicContact CH2-CG 3.81Å; W59-Q63 HydrophobicContact CZ2-CG 3.89Å; W59-Q63 HydrophobicContact CZ3-CG 3.87Å; W59-Q63 WeakPolarHBondContact O-CG 3.45Å; W59-Q63 PolarHBondContact O-N 2.92Å
60	Q	86.5	Confident	88.3	Confident	129 Å²	129	115.1 Å²	115.1	60%	0.603	53%	0.526	S	S	*	.	H	α-helix	trans	-64.1	-40.4	172.9	-75.9	175.2	-0.2	0	0	112.3	R56 Q57 L58 Q63 E64	R56-Q60 WeakPolarHBondContact O-CG 3.36Å; R56-Q60 PolarHBondContact O-N 3.38Å; Q57-Q60 PolarHBondContact O-N 3.31Å; L58-Q60 VanDerWaalsContact C-N 3.33Å; L58-Q60 PolarHBondContact O-N 3.01Å; Q60-Q63 PolarHBondContact O-N 2.76Å; Q60-E64 PolarHBondContact O-N 3.42Å
61	Q	87.9	Confident	88.5	Confident	122 Å²	122	112 Å²	112	57%	0.57	52%	0.519	S	S	*	.	H	α-helix	trans	-65.5	-40.8	174.1	-71.6	-177.1	-4.6	0	0	112	Q57 L58 Q63 E64 V65	Q57-Q61 PolarHBondContact O-N 3.13Å; L58-Q61 PolarHBondContact O-N 3.42Å; L58-Q61 VanDerWaalsContact O-N 3.14Å; Q61-Q63 VanDerWaalsContact C-N 3.35Å; Q61-Q63 PolarHBondContact O-N 3.01Å; Q61-E64 PolarHBondContact O-N 2.9Å; Q61-V65 WeakPolarHBondContact O-CB 3.33Å; Q61-V65 WeakPolarHBondContact O-CG2 3.28Å; Q61-V65 PolarHBondContact O-N 3.34Å
62	E	90.8	Very high	88.5	Confident	114 Å²	114	110.9 Å²	110.9	53%	0.533	52%	0.523	S	S	.	.	H	α-helix	trans	-60.2	-42.7	173.9	-73.1	-175.7	160.4	0	0	112	L58 W59 V65 Q66	L58-E62 PolarHBondContact O-N 3.04Å; W59-E62 PolarHBondContact O-N 3.45Å; E62-V65 PolarHBondContact O-N 3Å; E62-Q66 WeakPolarHBondContact O-CB 3.47Å; E62-Q66 VanDerWaalsContact O-CG 3.28Å; E62-Q66 WeakPolarHBondContact O-CG 3.33Å; E62-Q66 PolarHBondContact O-N 3.27Å
63	Q	90.5	Very high	88.2	Confident	81 Å²	81	113.1 Å²	113.1	38%	0.379	53%	0.533	S	S	.	.	H	α-helix	trans	-63.9	-40.6	175	-70.6	-64.1	-42.1	0	0	112.3	W59 Q60 Q61 Q66 R67	W59-Q63 HydrophobicContact CD2-CG 4.09Å; W59-Q63 HydrophobicContact CE3-CG 4Å; W59-Q63 HydrophobicContact CH2-CG 3.81Å; W59-Q63 HydrophobicContact CZ2-CG 3.89Å; W59-Q63 HydrophobicContact CZ3-CG 3.87Å; W59-Q63 WeakPolarHBondContact O-CG 3.45Å; W59-Q63 PolarHBondContact O-N 2.92Å; Q60-Q63 PolarHBondContact O-N 2.76Å; Q61-Q63 VanDerWaalsContact C-N 3.35Å; Q61-Q63 PolarHBondContact O-N 3.01Å; Q63-Q66 PolarHBondContact O-N 3.39Å; Q63-R67 WeakPolarHBondContact O-CB 3.46Å; Q63-R67 PolarHBondContact O-N 2.85Å
64	E	88.1	Confident	88	Confident	128 Å²	128	115.6 Å²	115.6	60%	0.598	54%	0.542	S	S	*	.	H	α-helix	trans	-67.1	-40.7	176.4	-171.5	163.1	-142.6	0	0	111.8	Q60 Q61 R67 L68	Q60-E64 PolarHBondContact O-N 3.42Å; Q61-E64 PolarHBondContact O-N 2.9Å; E64-R67 PolarHBondContact O-N 3.48Å; E64-L68 HydrophobicContact CG-CD1 4.22Å; E64-L68 WeakPolarHBondContact O-CB 3.2Å; E64-L68 VanDerWaalsContact O-CG 3.29Å; E64-L68 WeakPolarHBondContact O-CG 3.49Å; E64-L68 PolarHBondContact O-N 2.93Å
65	V	90.2	Very high	87.7	Confident	74 Å²	74	114.3 Å²	114.3	45%	0.448	54%	0.542	S	S	.	.	H	α-helix	trans	-63.4	-45.1	173.8	169.7	0	0	0	0	111.6	Q61 E62 R67 L68 Q69	Q61-V65 WeakPolarHBondContact O-CB 3.33Å; Q61-V65 WeakPolarHBondContact O-CG2 3.28Å; Q61-V65 PolarHBondContact O-N 3.34Å; E62-V65 PolarHBondContact O-N 3Å; V65-R67 VanDerWaalsContact C-N 3.32Å; V65-R67 PolarHBondContact O-N 2.85Å; V65-L68 PolarHBondContact O-N 3.07Å; V65-Q69 HydrophobicContact CG1-CG 4.46Å; V65-Q69 WeakPolarHBondContact O-CB 3.22Å; V65-Q69 VanDerWaalsContact O-CG 3.31Å; V65-Q69 WeakPolarHBondContact O-CG 3.27Å; V65-Q69 PolarHBondContact O-N 3.23Å
66	Q	89.5	Confident	87.2	Confident	103 Å²	103	111.6 Å²	111.6	48%	0.481	53%	0.531	S	S	.	.	H	α-helix	trans	-62.6	-38.7	175.9	-73.5	174.4	31.4	0	0	111.8	E62 Q63 Q69 S70	E62-Q66 WeakPolarHBondContact O-CB 3.47Å; E62-Q66 VanDerWaalsContact O-CG 3.28Å; E62-Q66 WeakPolarHBondContact O-CG 3.33Å; E62-Q66 PolarHBondContact O-N 3.27Å; Q63-Q66 PolarHBondContact O-N 3.39Å; Q66-Q69 PolarHBondContact O-N 3.11Å; Q66-S70 WeakPolarHBondContact O-CB 3.45Å; Q66-S70 PolarHBondContact O-N 3.49Å
67	R	92.7	Very high	86.5	Confident	180 Å²	180	110.6 Å²	110.6	68%	0.679	53%	0.533	S	S	*	.	H	α-helix	trans	-64.1	-43.7	174.2	-174.3	-179.8	-178.8	176.3	2	112	Q63 E64 V65 S70 M71	Q63-R67 WeakPolarHBondContact O-CB 3.46Å; Q63-R67 PolarHBondContact O-N 2.85Å; E64-R67 PolarHBondContact O-N 3.48Å; V65-R67 VanDerWaalsContact C-N 3.32Å; V65-R67 PolarHBondContact O-N 2.85Å; R67-S70 PolarHBondContact O-N 3.46Å; R67-M71 HydrophobicContact CG-CE 4.4Å; R67-M71 WeakPolarHBondContact O-CG 3.22Å; R67-M71 PolarHBondContact O-N 2.88Å
68	L	89.4	Confident	85.9	Confident	99 Å²	99	106.5 Å²	106.5	52%	0.518	52%	0.523	S	S	.	.	H	α-helix	trans	-63.3	-43	175.5	-73.7	164.2	0	0	0	111.7	E64 V65 M71 L72	E64-L68 HydrophobicContact CG-CD1 4.22Å; E64-L68 WeakPolarHBondContact O-CB 3.2Å; E64-L68 VanDerWaalsContact O-CG 3.29Å; E64-L68 WeakPolarHBondContact O-CG 3.49Å; E64-L68 PolarHBondContact O-N 2.93Å; V65-L68 PolarHBondContact O-N 3.07Å; L68-M71 HydrophobicContact CD2-CE 3.84Å; L68-M71 HydrophobicContact CG-CE 4.46Å; L68-M71 PolarHBondContact O-N 3.14Å; L68-L72 WeakPolarHBondContact O-CB 3.49Å; L68-L72 PolarHBondContact O-N 3.36Å
69	Q	85.8	Confident	84.7	Confident	120 Å²	120	107.8 Å²	107.8	56%	0.561	53%	0.53	S	S	*	.	H	α-helix	trans	-60.9	-43.4	174.4	-73.8	173.2	-3.3	0	0	112	V65 Q66 L72 Q73	V65-Q69 HydrophobicContact CG1-CG 4.46Å; V65-Q69 WeakPolarHBondContact O-CB 3.22Å; V65-Q69 VanDerWaalsContact O-CG 3.31Å; V65-Q69 WeakPolarHBondContact O-CG 3.27Å; V65-Q69 PolarHBondContact O-N 3.23Å; Q66-Q69 PolarHBondContact O-N 3.11Å; Q69-L72 PolarHBondContact O-N 3.05Å; Q69-Q73 WeakPolarHBondContact O-CB 3.09Å; Q69-Q73 PolarHBondContact O-N 3.35Å
70	S	88.2	Confident	83.6	Confident	57 Å²	57	107.7 Å²	107.7	40%	0.399	54%	0.536	S	S	.	.	H	α-helix	trans	-63.5	-42.9	177.4	-171.7	0	0	0	0	112.2	Q66 R67 Q73 Q74	Q66-S70 WeakPolarHBondContact O-CB 3.45Å; Q66-S70 PolarHBondContact O-N 3.49Å; R67-S70 PolarHBondContact O-N 3.46Å; S70-Q73 PolarHBondContact O-N 3.23Å; S70-Q74 WeakPolarHBondContact O-CG 3.35Å; S70-Q74 PolarHBondContact O-N 2.88Å
71	M	87.6	Confident	82.3	Confident	85 Å²	85	105.7 Å²	105.7	42%	0.419	54%	0.541	S	S	.	.	H	α-helix	trans	-65.1	-40.8	174.7	-68.3	-174.1	-57.1	0	0	112.1	R67 L68 Q73 Q74 V75	R67-M71 HydrophobicContact CG-CE 4.4Å; R67-M71 WeakPolarHBondContact O-CG 3.22Å; R67-M71 PolarHBondContact O-N 2.88Å; L68-M71 HydrophobicContact CD2-CE 3.84Å; L68-M71 HydrophobicContact CG-CE 4.46Å; L68-M71 PolarHBondContact O-N 3.14Å; M71-Q73 VanDerWaalsContact C-N 3.32Å; M71-Q73 PolarHBondContact O-N 3.09Å; M71-Q74 PolarHBondContact O-N 3Å; M71-V75 WeakPolarHBondContact O-CG2 3.36Å; M71-V75 PolarHBondContact O-N 3.4Å
72	L	85.7	Confident	80.7	Confident	124 Å²	124	104.5 Å²	104.5	65%	0.649	55%	0.545	S	S	*	.	H	α-helix	trans	-62.1	-40.7	175.2	-175.2	66	0	0	0	111.6	L68 Q69 V75 N76	L68-L72 WeakPolarHBondContact O-CB 3.49Å; L68-L72 PolarHBondContact O-N 3.36Å; Q69-L72 PolarHBondContact O-N 3.05Å; L72-V75 PolarHBondContact O-N 3.12Å; L72-N76 PolarHBondContact O-N 3.17Å
73	Q	82.6	Confident	78.6	Confident	121 Å²	121	102.5 Å²	102.5	57%	0.565	56%	0.555	S	S	*	*	H	α-helix	trans	-66.7	-39.1	177.2	-166.3	174.8	28.6	0	0	112.1	Q69 S70 M71 N76 Q77	Q69-Q73 WeakPolarHBondContact O-CB 3.09Å; Q69-Q73 PolarHBondContact O-N 3.35Å; S70-Q73 PolarHBondContact O-N 3.23Å; M71-Q73 VanDerWaalsContact C-N 3.32Å; M71-Q73 PolarHBondContact O-N 3.09Å; Q73-N76 PolarHBondContact O-N 3.47Å; Q73-Q77 WeakPolarHBondContact O-CB 3.33Å; Q73-Q77 VanDerWaalsContact O-CG 3.28Å; Q73-Q77 WeakPolarHBondContact O-CG 3.47Å; Q73-Q77 PolarHBondContact O-N 2.89Å
74	Q	83.4	Confident	77	Confident	124 Å²	124	102.1 Å²	102.1	58%	0.579	57%	0.573	S	S	*	*	H	α-helix	trans	-63.6	-42.3	172.5	-72.5	174.5	9.5	0	0	112	S70 M71 Q77 G78	S70-Q74 WeakPolarHBondContact O-CG 3.35Å; S70-Q74 PolarHBondContact O-N 2.88Å; M71-Q74 PolarHBondContact O-N 3Å; Q74-Q77 PolarHBondContact O-N 3.47Å; Q74-G78 PolarHBondContact O-N 2.86Å
75	V	81.1	Confident	74.9	Confident	97 Å²	97	101.6 Å²	101.6	59%	0.588	58%	0.583	S	S	*	*	H	α-helix	trans	-62.5	-44	175.2	170.1	0	0	0	0	110.9	M71 L72 G78 L79	M71-V75 WeakPolarHBondContact O-CG2 3.36Å; M71-V75 PolarHBondContact O-N 3.4Å; L72-V75 PolarHBondContact O-N 3.12Å; V75-G78 PolarHBondContact O-N 3.12Å; V75-L79 PolarHBondContact O-N 3.13Å
76	N	76.4	Confident	72.9	Confident	80 Å²	80	107.4 Å²	107.4	43%	0.428	61%	0.605	S	S	.	*	H	α-helix	trans	-67.6	-39.9	179.5	-157.5	85.5	0	0	0	112.4	L72 Q73 G78 L79 E80	L72-N76 PolarHBondContact O-N 3.17Å; Q73-N76 PolarHBondContact O-N 3.47Å; N76-G78 VanDerWaalsContact C-N 3.34Å; N76-L79 WeakPolarHBondContact O-CB 3.31Å; N76-L79 PolarHBondContact O-N 2.9Å; N76-E80 PolarHBondContact ND2-OE1 3.36Å; N76-E80 PolarHBondContact O-N 3.25Å
77	Q	76.1	Confident	70.6	Confident	116 Å²	116	107.7 Å²	107.7	54%	0.542	62%	0.617	S	S	.	*	H	α-helix	trans	-63	-39.7	172.2	-74.4	172.1	1.9	0	0	112.1	Q73 Q74 L79 A81	Q73-Q77 WeakPolarHBondContact O-CB 3.33Å; Q73-Q77 VanDerWaalsContact O-CG 3.28Å; Q73-Q77 WeakPolarHBondContact O-CG 3.47Å; Q73-Q77 PolarHBondContact O-N 2.89Å; Q74-Q77 PolarHBondContact O-N 3.47Å; Q77-L79 VanDerWaalsContact C-N 3.32Å; Q77-A81 VanDerWaalsContact O-CB 3.27Å; Q77-A81 WeakPolarHBondContact O-CB 3.46Å; Q77-A81 PolarHBondContact O-N 3.32Å
78	G	72.1	Confident	68.5	Low	36 Å²	36	103.2 Å²	103.2	37%	0.371	62%	0.619	S	S	.	*	H	α-helix	trans	-61.9	-39	172.1	0	0	0	0	0	112.6	Q74 V75 N76 C82	Q74-G78 PolarHBondContact O-N 2.86Å; V75-G78 PolarHBondContact O-N 3.12Å; N76-G78 VanDerWaalsContact C-N 3.34Å; G78-C82 WeakPolarHBondContact O-CB 3.41Å; G78-C82 PolarHBondContact O-N 3.47Å; G78-C82 PolarHBondContact O-SG 2.77Å
79	L	66.1	Low	66.7	Low	123 Å²	123	105.1 Å²	105.1	64%	0.644	64%	0.635	S	S	*	*	H	α-helix	trans	-69	-43.2	178.2	-140.9	74.9	0	0	0	112.5	V75 N76 Q77 C82	V75-L79 PolarHBondContact O-N 3.13Å; N76-L79 WeakPolarHBondContact O-CB 3.31Å; N76-L79 PolarHBondContact O-N 2.9Å; Q77-L79 VanDerWaalsContact C-N 3.32Å; L79-C82 CarbonylContact O-C 3.49Å; L79-C82 PolarHBondContact O-N 2.94Å
80	E	64.4	Low	64.7	Low	149 Å²	149	106.3 Å²	106.3	70%	0.696	64%	0.644	S	S	*	*	H	α-helix	trans	-71	-31.5	176.4	-73.2	177.4	-163.4	0	0	112.6	N76 C82	N76-E80 PolarHBondContact ND2-OE1 3.36Å; N76-E80 PolarHBondContact O-N 3.25Å; E80-C82 VanDerWaalsContact C-N 3.29Å
81	A	59.7	Low	62.4	Low	87 Å²	87	113.2 Å²	113.2	72%	0.719	67%	0.67	S	S	*	*	H	α-helix	trans	-67.7	-29	169	0	0	0	0	0	112.6	Q77 G83	Q77-A81 VanDerWaalsContact O-CB 3.27Å; Q77-A81 WeakPolarHBondContact O-CB 3.46Å; Q77-A81 PolarHBondContact O-N 3.32Å; A81-G83 PolarHBondContact O-N 2.96Å
82	C	53.3	Low	60.3	Low	97 Å²	97	113.7 Å²	113.7	66%	0.655	69%	0.688	S	S	*	*	S	Bend	trans	-83.6	60.7	174.2	-67.4	0	0	0	0	111.7	G78 L79 E80 G84	G78-C82 WeakPolarHBondContact O-CB 3.41Å; G78-C82 PolarHBondContact O-N 3.47Å; G78-C82 PolarHBondContact O-SG 2.77Å; L79-C82 CarbonylContact O-C 3.49Å; L79-C82 PolarHBondContact O-N 2.94Å; E80-C82 VanDerWaalsContact C-N 3.29Å; C82-G84 PolarHBondContact O-N 3.45Å
83	G	47.9	Very low	58.1	Low	71 Å²	71	112.1 Å²	112.1	73%	0.732	69%	0.687	S	S	*	*			trans	-58.9	89.9	-179	0	0	0	0	0	114.5	A81	A81-G83 PolarHBondContact O-N 2.96Å
84	G	56	Low	56.2	Low	73 Å²	73	113.5 Å²	113.5	75%	0.753	70%	0.697	S	S	*	*	S	Bend	trans	68.7	45.4	152.1	0	0	0	0	0	118	C82	C82-G84 PolarHBondContact O-N 3.45Å
85	S	44.8	Very low	54.1	Low	117 Å²	117	117.2 Å²	117.2	82%	0.818	71%	0.711	S	S	*	*			trans	-153.3	157.9	160	-89	0	0	0	0	113.9
86	H	48.9	Very low	52.1	Low	196 Å²	196	117.5 Å²	117.5	91%	0.907	72%	0.718	S	S	*	*			trans	-61.2	131.3	-163.2	-58.1	-36.6	0	0	0	115.2
87	C	39.8	Very low	50.4	Low	109 Å²	109	118.6 Å²	118.6	74%	0.736	73%	0.732	S	S	*	*			trans	-143.9	91.2	146.8	-166.8	0	0	0	0	110.3
88	A	49.7	Very low	48.5	Very low	86 Å²	86	119 Å²	119	71%	0.711	75%	0.747	S	S	*	*			trans	-76.1	156.8	156.6	0	0	0	0	0	108.8
89	T	51.2	Low	46.9	Very low	139 Å²	139	122.8 Å²	122.8	85%	0.853	77%	0.768	S	S	*	*			trans	90	45.2	178	-30.1	0	0	0	0	116.8
90	L	42.8	Very low	45.4	Very low	145 Å²	145	128.5 Å²	128.5	76%	0.759	78%	0.781	S	S	*	*			trans	-136.4	56.5	161.4	-95.6	179.4	0	0	0	112.6
91	Q	41.6	Very low	44.1	Very low	202 Å²	202	127 Å²	127	94%	0.944	79%	0.787	S	S	*	*	S	Bend	trans	-129.3	20.8	-177.6	-145.1	175.7	16.6	0	0	114.2
92	A	43	Very low	42.8	Very low	96 Å²	96	134.4 Å²	134.4	79%	0.793	80%	0.796	S	S	*	*	S	Bend	trans	-133.6	8.8	-167.2	0	0	0	0	0	116.3
93	S	39.3	Very low	41.8	Very low	90 Å²	90	142 Å²	142	63%	0.629	81%	0.811	S	S	*	*	S	Bend	trans	-123.1	-1.7	-168.2	49.4	0	0	0	0	116.7
94	I	42.3	Very low	41	Very low	150 Å²	150	143.7 Å²	143.7	77%	0.769	81%	0.811	S	S	*	*	S	Bend	trans	-99.5	-13.7	-176.5	-63	178.4	0	0	0	113
95	F	39.5	Very low	39.9	Very low	202 Å²	202	147.3 Å²	147.3	89%	0.886	82%	0.819	S	S	*	*	S	Bend	trans	-103.7	20.6	-170.6	-93.9	-77.3	0	0	0	116.2
96	S	39.6	Very low	39.1	Very low	104 Å²	104	145 Å²	145	73%	0.727	81%	0.814	S	S	*	*	S	Bend	trans	-117.9	19	-173.8	-58.2	0	0	0	0	115.7
97	S	39.8	Very low	38.3	Very low	103 Å²	103	144 Å²	144	72%	0.72	81%	0.814	S	S	*	*	S	Bend	trans	-139.9	46.2	-179.3	65	0	0	0	0	115
98	S	35.8	Very low	37.7	Very low	123 Å²	123	150.3 Å²	150.3	86%	0.86	82%	0.822	S	S	*	*			trans	-158	52.8	165.6	-81.9	0	0	0	0	113.4
99	S	38.8	Very low	36.8	Very low	116 Å²	116	153.8 Å²	153.8	81%	0.811	83%	0.828	S	S	*	*			trans	-104.3	57.6	178.4	49.2	0	0	0	0	113.3
100	R	35.9	Very low	35.8	Very low	243 Å²	243	155 Å²	155	92%	0.917	82%	0.824	S	S	*	*	S	Bend	trans	-150.6	130.5	164.9	-108.9	166.3	-165.7	-162.5	1.5	113
101	S	35.9	Very low	35.3	Very low	117 Å²	117	152.2 Å²	152.2	82%	0.818	82%	0.816	S	S	*	*			trans	58.1	85.1	169.4	-149.1	0	0	0	0	118.7
102	R	32.8	Very low	34.7	Very low	243 Å²	243	149.3 Å²	149.3	92%	0.917	81%	0.807	S	S	*	*			trans	-130.2	115	138.2	-72.2	-169.3	-177.7	-167.1	1.4	108.7
103	R	31.8	Very low	34	Very low	257 Å²	257	152.2 Å²	152.2	97%	0.97	81%	0.808	S	S	*	*			trans	-96.4	107.3	158	-81.5	-175.1	173.6	-179.5	-1.6	106.8
104	S	32.5	Very low	33.5	Very low	106 Å²	106	152.1 Å²	152.1	74%	0.741	81%	0.808	S	S	*	*			trans	-117.9	126.4	174.9	51.9	0	0	0	0	109.6
105	V	32.5	Very low	32.8	Very low	150 Å²	150	151.6 Å²	151.6	91%	0.909	81%	0.806	S	S	*	*			trans	-63.2	134.9	171.7	178.3	0	0	0	0	108.9
106	G	27.8	Very low	32.3	Very low	69 Å²	69	148.4 Å²	148.4	71%	0.711	80%	0.797	S	S	*	*			trans	-124.9	106.6	178.3	0	0	0	0	0	111.2
107	L	31.3	Very low	31.8	Very low	173 Å²	173	151 Å²	151	91%	0.906	80%	0.798	S	S	*	*			trans	-67.2	145.8	165.1	-70.2	165.5	0	0	0	109.6
108	R	28.3	Very low	31.2	Very low	243 Å²	243	153.9 Å²	153.9	92%	0.917	80%	0.8	S	S	*	*			trans	-137.8	136	163.7	-76.1	-170	175.2	-173.6	-1.7	109.8
109	L	29.8	Very low	30.9	Very low	158 Å²	158	153 Å²	153	83%	0.827	80%	0.8	S	S	*	*			trans	-121	138	167.5	-78.2	175.9	0	0	0	109.3
110	H	31	Very low	30.4	Very low	166 Å²	166	152.7 Å²	152.7	77%	0.769	80%	0.804	S	S	*	*			trans	63.5	137.4	153.3	-79.2	-77.9	0	0	0	123.9
111	S	31.4	Very low	30	Very low	85 Å²	85	143.9 Å²	143.9	59%	0.594	79%	0.789	S	S	*	*			trans	77.5	103.6	133.4	61.4	0	0	0	0	121.7
112	D	30.5	Very low	29.6	Very low	141 Å²	141	145.9 Å²	145.9	75%	0.754	80%	0.796	S	S	*	*				95.3	128.7	110.3	-65.9	-1.9	0	0	0	122.4
113	L	27.5	Very low	29.4	Very low	157 Å²	157	138.2 Å²	138.2	82%	0.822	79%	0.793	S	S	*	*			trans	61.8	143.9	142.1	-61	167.6	0	0	0	119.2
114	S	28.3	Very low	29.3	Very low	89 Å²	89	132.1 Å²	132.1	62%	0.622	79%	0.79	S	S	*	*			cis	-173.6	-175.6	-12.5	53.4	0	0	0	0	111.1
115	L	28	Very low	29	Very low	138 Å²	138	130.8 Å²	130.8	72%	0.723	79%	0.793	S	S	*	*			trans	78	117.2	162	-93.1	79.2	0	0	0	121.2
116	I	29.8	Very low	28.8	Very low	136 Å²	136	129.6 Å²	129.6	70%	0.697	79%	0.791	S	S	*	*				57.7	132.7	114	-65.8	-179.8	0	0	0	117.8
117	Q	27.8	Very low	28.8	Very low	159 Å²	159	135.8 Å²	135.8	74%	0.743	80%	0.802	S	S	*	*			cis	-150.8	171.4	41.2	-155.9	139.4	-11.1	0	0	117.2
118	E	28.7	Very low	28.7	Very low	163 Å²	163	131.6 Å²	131.6	76%	0.762	79%	0.792	S	S	*	*			trans	-47.4	156.8	-175.8	-58	156.4	111.2	0	0	121.1
119	A	27.6	Very low	28.7	Very low	105 Å²	105	126.8 Å²	126.8	87%	0.868	79%	0.79	S	S	*	*			trans	-148.1	145.1	131.2	0	0	0	0	0	110.5
120	A	28.8	Very low	28.7	Very low	108 Å²	108	130.2 Å²	130.2	89%	0.893	79%	0.791	S	S	*	*			trans	-100.7	164.8	178.7	0	0	0	0	0	111.7
121	G	27.4	Very low	28.9	Very low	58 Å²	58	127.7 Å²	127.7	60%	0.598	79%	0.79	S	S	*	*			cis	164.6	-161.3	-1.4	0	0	0	0	0	111.6
122	T	29.1	Very low	29.2	Very low	159 Å²	159	129.4 Å²	129.4	98%	0.975	80%	0.799	S	S	*	*			trans	71.1	145.9	175.9	74	0	0	0	0	118.1
123	G	27.8	Very low	29.7	Very low	83 Å²	83	128.3 Å²	128.3	86%	0.856	80%	0.8	S	S	*	*			trans	136.7	111.6	172.5	0	0	0	0	0	114
124	S	28.7	Very low	29.8	Very low	129 Å²	129	127.5 Å²	127.5	90%	0.902	80%	0.801	S	S	*	*			trans	-108	143.2	178.6	56.8	0	0	0	0	112.3
125	G	27.3	Very low	29.8	Very low	78 Å²	78	130.6 Å²	130.6	80%	0.804	81%	0.81	S	S	*	*			trans	-177.4	142.8	170	0	0	0	0	0	112.7
126	S	28.5	Very low	30.1	Very low	125 Å²	125	128.9 Å²	128.9	87%	0.874	81%	0.809	S	S	*	*			trans	-104.5	171.9	-177.8	-64.7	0	0	0	0	112.8
127	E	28.2	Very low	30	Very low	199 Å²	199	129 Å²	129	93%	0.93	81%	0.812	S	S	*	*			trans	102.6	160.7	143.8	-150	151.1	-133.9	0	0	118.4
128	A	27.5	Very low	30	Very low	85 Å²	85	127.1 Å²	127.1	70%	0.702	81%	0.814	S	S	*	*			trans	-85.7	165.2	-148.1	0	0	0	0	0	115.8
129	T	28.3	Very low	30.3	Very low	141 Å²	141	125 Å²	125	87%	0.865	82%	0.818	S	S	*	*				-172.2	160.3	113.4	-77	0	0	0	0	111.8
130	R	30	Very low	30.3	Very low	230 Å²	230	123.6 Å²	123.6	87%	0.868	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-65.1	157.6	-176.2	-69	171.6	166.3	159.9	-7.5	115
131	P	35.7	Very low	30.4	Very low	113 Å²	113	123.3 Å²	123.3	73%	0.734	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-75.2	159	158.1	34.7	-35.5	0	0	0	112.3
132	P	38.6	Very low	30.6	Very low	122 Å²	122	125.5 Å²	125.5	79%	0.792	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-78	158.6	172.4	33.4	-35.2	0	0	0	112.7
133	P	40.3	Very low	30.7	Very low	118 Å²	118	126.4 Å²	126.4	77%	0.766	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-92.2	160.9	-173.2	36.8	-36.1	0	0	0	114.4
134	V	29.8	Very low	31.6	Very low	140 Å²	140	128.1 Å²	128.1	85%	0.848	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-86.3	141.1	157.3	177.1	0	0	0	0	108.3
135	L	28.2	Very low	31.7	Very low	154 Å²	154	130.4 Å²	130.4	81%	0.806	81%	0.809	S	S	*	*			trans	-121.1	134.6	164.8	-94.8	170.5	0	0	0	110.9
136	S	34.1	Very low	32	Very low	102 Å²	102	131 Å²	131	71%	0.713	81%	0.807	S	S	*	*			trans	-121.2	144	165.1	163	0	0	0	0	106
137	D	27.3	Very low	32.8	Very low	139 Å²	139	131.6 Å²	131.6	74%	0.743	81%	0.807	S	S	*	*			trans	-170.6	152.7	165.1	-95.5	-29.2	0	0	0	109.6
138	C	27.8	Very low	32.7	Very low	118 Å²	118	125.8 Å²	125.8	80%	0.797	80%	0.801	S	S	*	*			cis	-162.2	-175.4	-31.5	-129.7	0	0	0	0	110.3
139	S	35.4	Very low	32.7	Very low	119 Å²	119	127.2 Å²	127.2	83%	0.832	81%	0.805	S	S	*	*			trans	-126	156.7	-166.2	59.9	0	0	0	0	116
140	G	28.3	Very low	32.7	Very low	76 Å²	76	125.9 Å²	125.9	78%	0.784	80%	0.802	S	S	*	*			trans	124.5	175.9	149.9	0	0	0	0	0	117.3
141	A	31.1	Very low	32.5	Very low	101 Å²	101	119.7 Å²	119.7	84%	0.835	80%	0.8	S	S	*	*			cis	-176.8	165.7	-24.2	0	0	0	0	0	112.5
142	A	30.5	Very low	32.4	Very low	104 Å²	104	123 Å²	123	86%	0.86	81%	0.806	S	S	*	*			trans	88.2	152.7	151.4	0	0	0	0	0	123.2
143	E	31.3	Very low	31.8	Very low	179 Å²	179	128.4 Å²	128.4	84%	0.836	81%	0.81	S	S	*	*			trans	-103.3	-174	174.9	-54.1	-179.7	120.8	0	0	112.2
144	P	47.2	Very low	31.6	Very low	118 Å²	118	130 Å²	130	77%	0.766	81%	0.812	S	S	*	*				-156.2	146	93	38.6	-18.6	0	0	0	120.4
145	Q	29.9	Very low	32.2	Very low	178 Å²	178	128.9 Å²	128.9	83%	0.832	81%	0.808	S	S	*	*			trans	49.9	126.2	138.3	-60.8	-166.9	-1.7	0	0	125.9
146	A	33.3	Very low	32.4	Very low	91 Å²	91	128.4 Å²	128.4	75%	0.752	81%	0.806	S	S	*	*				41.4	146.5	123.7	0	0	0	0	0	122.2
147	P	45.2	Very low	32.2	Very low	136 Å²	136	131.5 Å²	131.5	88%	0.883	81%	0.809	S	S	*	*			cis	-149.4	-176.3	46.4	43.2	-22.8	0	0	0	117.6
148	G	26.4	Very low	32.2	Very low	78 Å²	78	131.9 Å²	131.9	80%	0.804	81%	0.811	S	S	*	*			trans	157.9	158.5	167.6	0	0	0	0	0	114.5
149	S	28	Very low	32.1	Very low	114 Å²	114	130.2 Å²	130.2	80%	0.797	81%	0.813	S	S	*	*			trans	-152.9	167.9	-176.1	71.2	0	0	0	0	116.1
150	S	27.4	Very low	31.7	Very low	114 Å²	114	129.7 Å²	129.7	80%	0.797	82%	0.816	S	S	*	*			trans	99.3	150.2	149.2	82.7	0	0	0	0	121.7
151	A	27	Very low	31.7	Very low	99 Å²	99	130.7 Å²	130.7	82%	0.818	82%	0.817	S	S	*	*			trans	77.7	126.8	151.6	0	0	0	0	0	121.5
152	Q	32.6	Very low	32.5	Very low	183 Å²	183	131.1 Å²	131.1	86%	0.855	81%	0.811	S	S	*	*			trans	-77	153.3	159	-53.2	147.5	-74.4	0	0	110.1
153	R	25.8	Very low	32.5	Very low	236 Å²	236	133.9 Å²	133.9	89%	0.891	81%	0.811	S	S	*	*			trans	179.8	129.3	134	-103.3	165.9	-172.9	-172	1.6	112.8
154	N	36.4	Very low	32.3	Very low	151 Å²	151	133.3 Å²	133.3	81%	0.807	81%	0.808	S	S	*	*			trans	-81.9	156.9	136.2	-67.8	-1.7	0	0	0	107.3
155	P	43.9	Very low	31.3	Very low	116 Å²	116	133.1 Å²	133.1	75%	0.753	81%	0.808	S	S	*	*				-142.8	171.8	100.3	39.5	-26.5	0	0	0	114.1
156	D	31.6	Very low	31.1	Very low	144 Å²	144	128 Å²	128	77%	0.77	80%	0.803	S	S	*	*			trans	-72.1	157.1	173.1	-50.3	-93.6	0	0	0	113.1
157	E	29	Very low	30.8	Very low	168 Å²	168	131.9 Å²	131.9	79%	0.785	81%	0.81	S	S	*	*				164.3	145.8	109.3	-86.7	-148.6	115.8	0	0	115
158	L	28.4	Very low	30.1	Very low	147 Å²	147	131.4 Å²	131.4	77%	0.77	80%	0.804	S	S	*	*			trans	48	96.7	143.6	-60.5	171.3	0	0	0	121.5
159	G	24.6	Very low	30.9	Very low	82 Å²	82	133.3 Å²	133.3	85%	0.845	80%	0.803	S	S	*	*				78.4	114.8	98.8	0	0	0	0	0	120.3
160	A	26.8	Very low	31.2	Very low	109 Å²	109	135.9 Å²	135.9	90%	0.901	80%	0.802	S	S	*	*			trans	-142.4	126.8	162.7	0	0	0	0	0	113
161	A	29.7	Very low	32.1	Very low	96 Å²	96	136.3 Å²	136.3	79%	0.793	80%	0.802	S	S	*	*			trans	-146.1	-178.8	166.8	0	0	0	0	0	106.2
162	P	47	Very low	32.2	Very low	110 Å²	110	140 Å²	140	71%	0.714	80%	0.802	S	S	*	*			cis	-138.6	179.2	2	43.9	-27.5	0	0	0	115.5
163	L	30.1	Very low	32.2	Very low	163 Å²	163	138 Å²	138	85%	0.853	79%	0.793	S	S	*	*			trans	-155.7	105	145.5	-81.8	-177.4	0	0	0	107.2
164	H	27.5	Very low	32.4	Very low	167 Å²	167	134.4 Å²	134.4	77%	0.773	78%	0.784	S	S	*	*				59.8	134.6	91.5	-89.2	-30.1	0	0	0	116.7
165	C	26.6	Very low	32.2	Very low	114 Å²	114	134.5 Å²	134.5	77%	0.77	78%	0.783	S	S	*	*			cis	-170.4	139.7	-13.5	-150.3	0	0	0	0	113.9
166	G	26.5	Very low	31.6	Very low	70 Å²	70	135.3 Å²	135.3	72%	0.722	78%	0.781	S	S	*	*			trans	69.5	166.6	160.8	0	0	0	0	0	119.1
167	L	26.6	Very low	31.6	Very low	172 Å²	172	133.8 Å²	133.8	90%	0.901	78%	0.777	S	S	*	*			cis	-163.5	148.4	-13.1	-115.6	162.9	0	0	0	112
168	V	30.2	Very low	31.9	Very low	126 Å²	126	131.2 Å²	131.2	76%	0.764	78%	0.777	S	S	*	*			trans	-32.9	155	166.2	162.4	0	0	0	0	116.9
169	P	43.8	Very low	32.2	Very low	119 Å²	119	133.8 Å²	133.8	77%	0.773	79%	0.786	S	S	*	*			cis	-144.4	-171.6	28.9	33	-6.9	0	0	0	120.3
170	E	34.1	Very low	32.3	Very low	168 Å²	168	133.9 Å²	133.9	79%	0.785	79%	0.786	S	S	*	*			trans	-57.9	159.7	155.9	-76.5	-93.3	137.9	0	0	114.5
171	P	45.8	Very low	32.3	Very low	122 Å²	122	132.5 Å²	132.5	79%	0.792	78%	0.783	S	S	*	*				-158.5	-147.4	81	45.1	-21.7	0	0	0	117.7
172	E	30.3	Very low	32.3	Very low	177 Å²	177	132.9 Å²	132.9	83%	0.827	79%	0.786	S	S	*	*			trans	-103.5	-179.4	-153.2	-48.9	170.4	100	0	0	119.3
173	E	31.9	Very low	31.5	Very low	142 Å²	142	131.8 Å²	131.8	66%	0.664	79%	0.786	S	S	*	*			trans	85.7	101.8	147.1	-68.2	-117.6	111.5	0	0	125.1
174	K	30.1	Very low	31.7	Very low	160 Å²	160	130.1 Å²	130.1	70%	0.696	78%	0.778	S	S	*	*				80.1	159.3	107.5	-138	-177.8	-123	153.8	0	124.3
175	L	31.5	Very low	31.9	Very low	153 Å²	153	131 Å²	131	80%	0.801	78%	0.78	S	S	*	*			trans	83.6	151.3	169	-55.7	174.2	0	0	0	118
176	D	31.8	Very low	32.2	Very low	133 Å²	133	129.9 Å²	129.9	71%	0.711	77%	0.774	S	S	*	*			cis	-173.4	175.4	-36.5	-147.8	2.4	0	0	0	106.8
177	V	32.5	Very low	32.4	Very low	112 Å²	112	136.2 Å²	136.2	68%	0.679	78%	0.784	S	S	*	*			cis	-154.3	152.9	2.8	-150.9	0	0	0	0	108.6
178	S	33.3	Very low	32.6	Very low	113 Å²	113	134 Å²	134	79%	0.79	78%	0.778	S	S	*	*			trans	170.9	130	135.7	-80.6	0	0	0	0	116.8
179	Q	34.9	Very low	32.7	Very low	202 Å²	202	134.3 Å²	134.3	94%	0.944	78%	0.78	S	S	*	*			trans	-4.3	145.5	160.5	-52.2	175.5	4.5	0	0	120.8
180	G	27.6	Very low	32.6	Very low	83 Å²	83	134.6 Å²	134.6	86%	0.856	78%	0.782	S	S	*	*			cis	155	156	-4.7	0	0	0	0	0	113
181	G	27.3	Very low	32.3	Very low	81 Å²	81	134 Å²	134	84%	0.835	78%	0.784	S	S	*	*			trans	148.7	86.2	167.3	0	0	0	0	0	121.1
182	A	29.3	Very low	31.6	Very low	103 Å²	103	133.7 Å²	133.7	85%	0.851	79%	0.785	S	S	*	*			trans	52	124.2	144.8	0	0	0	0	0	125.1
183	A	30.3	Very low	31.7	Very low	88 Å²	88	130.4 Å²	130.4	73%	0.727	78%	0.781	S	S	*	*			trans	76.5	142	137	0	0	0	0	0	122.3
184	N	34.2	Very low	31.7	Very low	127 Å²	127	131.4 Å²	131.4	68%	0.679	79%	0.79	S	S	*	*			cis	-168.4	135.9	-22.8	-110.5	-5	0	0	0	112.2
185	F	32.4	Very low	31.7	Very low	185 Å²	185	127.4 Å²	127.4	81%	0.811	79%	0.794	S	S	*	*			trans	51.7	148.3	150.8	-62.5	-59.9	0	0	0	122
186	S	32.5	Very low	31.8	Very low	92 Å²	92	129.8 Å²	129.8	64%	0.643	80%	0.799	S	S	*	*			cis	-166.3	143	-9.5	47.3	0	0	0	0	112
187	H	30.5	Very low	31.8	Very low	202 Å²	202	130.2 Å²	130.2	94%	0.935	81%	0.806	S	S	*	*			trans	-90.1	144.1	154.3	-93.2	-97.2	0	0	0	110.1
188	V	31.5	Very low	31.8	Very low	127 Å²	127	133.4 Å²	133.4	77%	0.77	81%	0.813	S	S	*	*			trans	-141.5	128.1	168.5	177.5	0	0	0	0	110.3
189	T	31.6	Very low	31.6	Very low	132 Å²	132	133 Å²	133	81%	0.81	82%	0.816	S	S	*	*			trans	-99.2	155.5	163	38.6	0	0	0	0	110.4
190	P	40.8	Very low	31.4	Very low	125 Å²	125	129.4 Å²	129.4	81%	0.812	81%	0.808	S	S	*	*			trans	-129.4	160.5	146.4	37.2	-27.5	0	0	0	112.3
191	N	29.2	Very low	31.6	Very low	156 Å²	156	131.2 Å²	131.2	83%	0.834	81%	0.805	S	S	*	*			trans	-151.1	152.4	174.2	-146.9	-6.2	0	0	0	110.2
192	S	31.2	Very low	31.8	Very low	115 Å²	115	133.1 Å²	133.1	80%	0.804	81%	0.806	S	S	*	*			trans	67.9	156.6	-173.3	88.7	0	0	0	0	115.4
193	S	31.9	Very low	32.2	Very low	107 Å²	107	139.6 Å²	139.6	75%	0.748	81%	0.808	S	S	*	*			cis	-148	153.3	4.6	63.4	0	0	0	0	114
194	L	31.5	Very low	32.3	Very low	164 Å²	164	139.9 Å²	139.9	86%	0.859	81%	0.811	S	S	*	*			trans	15.9	122	157	-75.6	159.3	0	0	0	121.3
195	G	29.8	Very low	32.4	Very low	76 Å²	76	141.9 Å²	141.9	78%	0.784	82%	0.821	S	S	*	*			trans	-153	129.4	157.6	0	0	0	0	0	112.1
196	F	32.8	Very low	32.6	Very low	203 Å²	203	138.7 Å²	138.7	89%	0.89	82%	0.818	S	S	*	*			trans	-90.7	115.7	-178.6	-94	-102.7	0	0	0	112.2
197	V	32.6	Very low	32.5	Very low	141 Å²	141	139.1 Å²	139.1	86%	0.855	82%	0.821	S	S	*	*			trans	-143.5	153.3	152	-173.6	0	0	0	0	109.2
198	Q	31.7	Very low	32.7	Very low	179 Å²	179	135.6 Å²	135.6	84%	0.836	82%	0.816	S	S	*	*			trans	-60.4	146	-170.9	-63.5	156.9	-68.7	0	0	114.9
199	A	29.7	Very low	33.2	Very low	104 Å²	104	136.1 Å²	136.1	86%	0.86	82%	0.82	S	S	*	*			trans	-93.6	136.3	168.6	0	0	0	0	0	111.6
200	T	30.5	Very low	33.8	Very low	127 Å²	127	135.1 Å²	135.1	78%	0.779	81%	0.813	S	S	*	*			trans	-123.1	128.4	176.5	-54.1	0	0	0	0	109.2	S202	T200-S202 PolarHBondContact O-N 3.29Å
201	P	33.3	Very low	33.9	Very low	121 Å²	121	133.3 Å²	133.3	79%	0.786	80%	0.797	S	S	*	*			trans	-82	110	-168.8	30.5	-34.5	0	0	0	113.2	R203	P201-R203 PolarHBondContact O-N 2.99Å
202	S	30.1	Very low	35	Very low	122 Å²	122	130.7 Å²	130.7	85%	0.853	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-71.7	117.9	167.7	55.4	0	0	0	0	110.7	T200	T200-S202 PolarHBondContact O-N 3.29Å
203	R	37.4	Very low	35.9	Very low	239 Å²	239	135.4 Å²	135.4	90%	0.902	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-81.3	141.4	-166.1	-167.2	173.3	-177.6	166.9	-2.8	112.2	P201	P201-R203 PolarHBondContact O-N 2.99Å
204	A	34	Very low	36.9	Very low	94 Å²	94	136.8 Å²	136.8	78%	0.777	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-64.1	142.4	172.9	0	0	0	0	0	111.7
205	L	34.8	Very low	37.8	Very low	169 Å²	169	131 Å²	131	89%	0.885	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-70.3	135	174.2	-69.9	167.6	0	0	0	110.7
206	P	36.5	Very low	38.6	Very low	118 Å²	118	132.2 Å²	132.2	77%	0.766	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-73.4	153.9	167.3	32.3	-33.8	0	0	0	111
207	S	31.3	Very low	39.5	Very low	100 Å²	100	124 Å²	124	70%	0.699	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-59.7	152.8	170.8	-51.2	0	0	0	0	111.8	T209	S207-T209 PolarHBondContact O-N 3.48Å; S207-T209 VanDerWaalsContact O-N 3.08Å
208	P	34.3	Very low	40.5	Very low	129 Å²	129	121.5 Å²	121.5	84%	0.838	70%	0.702	S	S	*	*			trans	-68.9	106	171.8	28.8	-33.8	0	0	0	110.5
209	T	41.3	Very low	41.5	Very low	137 Å²	137	117.3 Å²	117.3	84%	0.84	69%	0.685	S	S	*	*			trans	-78.9	118.6	170.1	-41.9	0	0	0	0	108.9	S207 N211	S207-T209 PolarHBondContact O-N 3.48Å; S207-T209 VanDerWaalsContact O-N 3.08Å; T209-N211 PolarHBondContact O-N 3.42Å
210	V	45.4	Very low	42.5	Very low	111 Å²	111	118.4 Å²	118.4	67%	0.673	67%	0.673	S	S	*	*			trans	-61.6	134.4	178.4	177.3	0	0	0	0	110.3	T212	V210-T212 PolarHBondContact O-N 3.23Å
211	N	41.5	Very low	43.5	Very low	87 Å²	87	117.9 Å²	117.9	47%	0.465	67%	0.666	S	S	.	*			trans	-71.6	92.4	176.8	-172.4	10.5	0	0	0	110.4	T209 R213 E214 A215	T209-N211 PolarHBondContact O-N 3.42Å; N211-R213 PolarHBondContact O-N 3.03Å; N211-E214 VanDerWaalsContact ND2-CD 3.3Å; N211-E214 PolarHBondContact ND2-OE2 2.93Å; N211-E214 PolarHBondContact O-N 3.43Å; N211-A215 PolarHBondContact O-N 3.02Å
212	T	54.2	Low	43.7	Very low	101 Å²	101	119.5 Å²	119.5	62%	0.62	67%	0.665	S	S	*	*	H	α-helix	trans	-59	-21.8	-173.7	50.3	0	0	0	0	113.9	V210 L216	V210-T212 PolarHBondContact O-N 3.23Å; T212-L216 WeakPolarHBondContact O-CB 3.39Å; T212-L216 WeakPolarHBondContact O-CG 3.23Å; T212-L216 PolarHBondContact O-N 3.36Å
213	R	48.3	Very low	44.2	Very low	215 Å²	215	122.3 Å²	122.3	81%	0.811	66%	0.662	S	S	*	*	H	α-helix	trans	-74.5	-35.2	-179.6	-165.2	172.2	-174.1	166.7	1.6	113.4	N211 G217	N211-R213 PolarHBondContact O-N 3.03Å; R213-G217 PolarHBondContact O-N 3.48Å
214	E	52.9	Low	44.3	Very low	136 Å²	136	117.6 Å²	117.6	64%	0.636	65%	0.65	S	S	*	*	H	α-helix	trans	-78.5	-39.6	175.6	-71.2	171.8	136.7	0	0	110.8	N211 L216 G217 V218	N211-E214 VanDerWaalsContact ND2-CD 3.3Å; N211-E214 PolarHBondContact ND2-OE2 2.93Å; N211-E214 PolarHBondContact O-N 3.43Å; E214-L216 VanDerWaalsContact C-N 3.33Å; E214-L216 PolarHBondContact O-N 3.26Å; E214-G217 PolarHBondContact O-N 2.93Å; E214-G217 VanDerWaalsContact O-N 3.11Å; E214-V218 PolarHBondContact O-N 3.12Å; E214-V218 VanDerWaalsContact O-N 3.11Å
215	A	50.8	Low	44.4	Very low	41 Å²	41	117.5 Å²	117.5	34%	0.339	65%	0.649	S	S	.	*	H	α-helix	trans	-59.8	-40.4	174.1	0	0	0	0	0	112.6	N211 I219	N211-A215 PolarHBondContact O-N 3.02Å; A215-I219 VanDerWaalsContact O-CG1 3.31Å; A215-I219 WeakPolarHBondContact O-CG1 3.29Å; A215-I219 PolarHBondContact O-N 3.11Å; A215-I219 VanDerWaalsContact O-N 3.14Å
216	L	47.2	Very low	44.4	Very low	103 Å²	103	114.8 Å²	114.8	54%	0.539	64%	0.642	S	S	.	*	H	α-helix	trans	-67.9	-33.2	174	-80.9	167.4	0	0	0	113.1	T212 E214 I219 M220	T212-L216 WeakPolarHBondContact O-CB 3.39Å; T212-L216 WeakPolarHBondContact O-CG 3.23Å; T212-L216 PolarHBondContact O-N 3.36Å; E214-L216 VanDerWaalsContact C-N 3.33Å; E214-L216 PolarHBondContact O-N 3.26Å; L216-I219 PolarHBondContact O-N 3.48Å; L216-M220 WeakPolarHBondContact O-CB 3.31Å; L216-M220 VanDerWaalsContact O-CG 3.32Å; L216-M220 WeakPolarHBondContact O-CG 3.4Å; L216-M220 PolarHBondContact O-N 3.31Å
217	G	51.2	Low	44.4	Very low	29 Å²	29	115.9 Å²	115.9	30%	0.299	65%	0.646	S	S	.	*	H	α-helix	trans	-60.5	-52	173.5	0	0	0	0	0	111.8	R213 E214 I219 M220 D221	R213-G217 PolarHBondContact O-N 3.48Å; E214-G217 PolarHBondContact O-N 2.93Å; E214-G217 VanDerWaalsContact O-N 3.11Å; G217-I219 VanDerWaalsContact C-N 3.29Å; G217-I219 PolarHBondContact O-N 3.09Å; G217-M220 PolarHBondContact O-N 3.01Å; G217-M220 VanDerWaalsContact O-N 3.08Å; G217-D221 PolarHBondContact O-N 2.92Å
218	V	53.2	Low	44.4	Very low	89 Å²	89	120.5 Å²	120.5	54%	0.539	65%	0.654	S	S	.	*	H	α-helix	trans	-58.8	-40.3	177.5	177.4	0	0	0	0	111.8	E214 D221 M222	E214-V218 PolarHBondContact O-N 3.12Å; E214-V218 VanDerWaalsContact O-N 3.11Å; V218-D221 PolarHBondContact O-N 3.32Å; V218-M222 HydrophobicContact CG1-SD 4.35Å; V218-M222 WeakPolarHBondContact O-CG 3.36Å; V218-M222 PolarHBondContact O-N 3.45Å
219	I	53.6	Low	44.2	Very low	92 Å²	92	120.7 Å²	120.7	47%	0.472	65%	0.647	S	S	.	*	H	α-helix	trans	-66.8	-38.7	176.6	-68	166.7	0	0	0	111.6	A215 L216 G217 M222 F223	A215-I219 VanDerWaalsContact O-CG1 3.31Å; A215-I219 WeakPolarHBondContact O-CG1 3.29Å; A215-I219 PolarHBondContact O-N 3.11Å; A215-I219 VanDerWaalsContact O-N 3.14Å; L216-I219 PolarHBondContact O-N 3.48Å; G217-I219 VanDerWaalsContact C-N 3.29Å; G217-I219 PolarHBondContact O-N 3.09Å; I219-M222 PolarHBondContact O-N 3.47Å; I219-F223 WeakPolarHBondContact O-CD2 3.23Å
220	M	50.9	Low	43.6	Very low	126 Å²	126	121.4 Å²	121.4	62%	0.621	65%	0.646	S	S	*	*	H	α-helix	trans	-68.1	-35.8	176.5	-74.8	178.2	62.4	0	0	112.8	L216 G217 F223	L216-M220 WeakPolarHBondContact O-CB 3.31Å; L216-M220 VanDerWaalsContact O-CG 3.32Å; L216-M220 WeakPolarHBondContact O-CG 3.4Å; L216-M220 PolarHBondContact O-N 3.31Å; G217-M220 PolarHBondContact O-N 3.01Å; G217-M220 VanDerWaalsContact O-N 3.08Å; M220-F223 PolarHBondContact O-N 2.67Å
221	D	50.4	Low	43	Very low	117 Å²	117	123 Å²	123	63%	0.626	65%	0.646	S	S	*	*	H	α-helix	trans	-72.4	-34.5	176.7	-69.5	-18.9	0	0	0	111.9	G217 V218 F223 Q224	G217-D221 PolarHBondContact O-N 2.92Å; V218-D221 PolarHBondContact O-N 3.32Å; D221-F223 PolarHBondContact O-N 3.47Å; D221-Q224 PolarHBondContact O-N 2.82Å
222	M	39	Very low	43.1	Very low	155 Å²	155	122.8 Å²	122.8	76%	0.764	65%	0.65	S	S	*	*	H	α-helix	trans	-64.7	-15.9	175.3	-77.2	-175.7	71.6	0	0	114.6	V218 I219	V218-M222 HydrophobicContact CG1-SD 4.35Å; V218-M222 WeakPolarHBondContact O-CG 3.36Å; V218-M222 PolarHBondContact O-N 3.45Å; I219-M222 PolarHBondContact O-N 3.47Å
223	F	40.9	Very low	41.9	Very low	180 Å²	180	126 Å²	126	79%	0.789	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	7.2	178.3	-83.8	-77.2	0	0	0	114.6	I219 M220 D221	I219-F223 WeakPolarHBondContact O-CD2 3.23Å; M220-F223 PolarHBondContact O-N 2.67Å; D221-F223 PolarHBondContact O-N 3.47Å
224	Q	39.1	Very low	41	Very low	141 Å²	141	124.2 Å²	124.2	66%	0.659	66%	0.656	S	S	*	*			trans	-105.4	87.2	175.3	-72	-171.2	78.8	0	0	112.1	D221 P226	D221-Q224 PolarHBondContact O-N 2.82Å; Q224-P226 WeakPolarHBondContact O-CD 3.48Å
225	A	34.8	Very low	39.8	Very low	91 Å²	91	121.3 Å²	121.3	75%	0.752	66%	0.663	S	S	*	*			trans	-73.4	126.3	169.5	0	0	0	0	0	110.9	T227	A225-T227 PolarHBondContact O-N 2.82Å
226	P	35.9	Very low	38.7	Very low	113 Å²	113	124.1 Å²	124.1	73%	0.734	69%	0.686	S	S	*	*			trans	-75.6	110.5	174.1	-14.5	30.2	0	0	0	111.3	Q224	Q224-P226 WeakPolarHBondContact O-CD 3.48Å
227	T	35.8	Very low	37.7	Very low	140 Å²	140	124.3 Å²	124.3	86%	0.859	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-70.6	126.7	161.1	-18.3	0	0	0	0	108.6	A225	A225-T227 PolarHBondContact O-N 2.82Å
228	F	30.8	Very low	36.6	Very low	198 Å²	198	130.3 Å²	130.3	87%	0.868	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-74.1	144.5	176.2	-85.7	-98.4	0	0	0	111.8
229	L	31.8	Very low	35.4	Very low	132 Å²	132	132.2 Å²	132.2	69%	0.691	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-71.4	161.8	164.4	-78.2	166.7	0	0	0	109.6
230	D	28.2	Very low	34.2	Very low	152 Å²	152	135.3 Å²	135.3	81%	0.813	74%	0.737	S	S	*	*				-132.4	123.8	55.4	-71.5	-31.4	0	0	0	111.7
231	E	32	Very low	33	Very low	145 Å²	145	140.3 Å²	140.3	68%	0.678	75%	0.749	S	S	*	*				79.3	153.4	90	-77.6	-89.5	94.8	0	0	114.3
232	P	45.1	Very low	31.9	Very low	82 Å²	82	139.2 Å²	139.2	53%	0.532	76%	0.756	S	S	.	*			cis	-135.3	-168.5	-20.3	22.8	2.7	0	0	0	114.5
233	F	27.8	Very low	31.4	Very low	168 Å²	168	136.4 Å²	136.4	74%	0.737	76%	0.758	S	S	*	*			trans	98.5	99.9	159.3	-76.9	-94.2	0	0	0	122.1
234	Q	28.8	Very low	30.9	Very low	178 Å²	178	131.9 Å²	131.9	83%	0.832	75%	0.753	S	S	*	*				58.7	124.4	129.8	-66.2	-177.5	0.7	0	0	122.1
235	G	28.5	Very low	30.6	Very low	75 Å²	75	133.1 Å²	133.1	77%	0.773	76%	0.759	S	S	*	*				146	126.4	129.6	0	0	0	0	0	117.7
236	A	28.8	Very low	31.3	Very low	100 Å²	100	134.6 Å²	134.6	83%	0.826	76%	0.761	S	S	*	*			trans	-37.6	131.7	168.1	0	0	0	0	0	114.7
237	S	26.2	Very low	31	Very low	107 Å²	107	136.2 Å²	136.2	75%	0.748	76%	0.764	S	S	*	*				81.1	152.9	66.6	-166.3	0	0	0	0	114.7
238	M	27.8	Very low	31.9	Very low	155 Å²	155	134.4 Å²	134.4	76%	0.764	75%	0.754	S	S	*	*			trans	85.5	99.7	175.4	-58.3	-63	-153.6	0	0	120.5
239	L	27.3	Very low	32.1	Very low	130 Å²	130	131.8 Å²	131.8	68%	0.681	75%	0.749	S	S	*	*				55.2	139.5	119	-65.9	175.1	0	0	0	123.9
240	H	27.8	Very low	32.2	Very low	157 Å²	157	132.5 Å²	132.5	73%	0.727	75%	0.753	S	S	*	*			trans	71.8	161.3	148.9	-65.6	-26.2	0	0	0	118.5
241	R	25.9	Very low	32.8	Very low	230 Å²	230	132.8 Å²	132.8	87%	0.868	75%	0.749	S	S	*	*			cis	-163.6	157.2	-31.4	179.4	169.7	-176.4	154.8	1.3	108.2
242	A	28.1	Very low	33.2	Very low	95 Å²	95	132.4 Å²	132.4	79%	0.785	76%	0.757	S	S	*	*			trans	-61.9	159.7	-168.3	0	0	0	0	0	119.4
243	A	29.2	Very low	32.7	Very low	96 Å²	96	132 Å²	132	79%	0.793	77%	0.768	S	S	*	*			trans	111.4	109.5	138.8	0	0	0	0	0	121.2
244	A	29.1	Very low	33.2	Very low	85 Å²	85	131.1 Å²	131.1	70%	0.702	78%	0.776	S	S	*	*			trans	61.1	127.1	130.2	0	0	0	0	0	124.5
245	E	33	Very low	33.4	Very low	167 Å²	167	129 Å²	129	78%	0.78	78%	0.775	S	S	*	*				49.1	153.7	126.6	-53.9	-39.7	112.4	0	0	122.3
246	P	48.6	Very low	33.8	Very low	121 Å²	121	130.6 Å²	130.6	79%	0.786	77%	0.772	S	S	*	*			cis	-146.8	-174.2	27.9	43.7	-22.4	0	0	0	119.4
247	D	31.3	Very low	33.8	Very low	148 Å²	148	133.4 Å²	133.4	79%	0.791	77%	0.772	S	S	*	*			trans	-87.2	-164.3	170.4	-137	30.2	0	0	0	112
248	P	53.3	Low	33.9	Very low	102 Å²	102	134.1 Å²	134.1	66%	0.662	77%	0.772	S	S	*	*			cis	-131.5	-148	15.2	34.4	-6.7	0	0	0	113.4
249	D	36	Very low	34	Very low	143 Å²	143	134.5 Å²	134.5	77%	0.765	78%	0.776	S	S	*	*			cis	-169.1	174.1	14.2	-146.1	-34	0	0	0	113.5
250	L	33.8	Very low	34.1	Very low	146 Å²	146	137.3 Å²	137.3	76%	0.764	79%	0.785	S	S	*	*			trans	142.1	99.6	138	-165.3	68.4	0	0	0	117.8
251	E	40.2	Very low	34.7	Very low	158 Å²	158	135.3 Å²	135.3	74%	0.738	79%	0.786	S	S	*	*			trans	21.1	157.3	138.2	-59.9	-168.4	162.7	0	0	123.8
252	T	40	Very low	35.1	Very low	137 Å²	137	130.7 Å²	130.7	84%	0.84	79%	0.786	S	S	*	*			cis	-153.1	169.1	2.3	2.5	0	0	0	0	109.8
253	G	34.7	Very low	35.3	Very low	74 Å²	74	131.1 Å²	131.1	76%	0.763	79%	0.79	S	S	*	*			trans	-138.5	174.9	-168.2	0	0	0	0	0	120.1
254	V	39.7	Very low	35.6	Very low	149 Å²	149	131.8 Å²	131.8	90%	0.903	79%	0.789	S	S	*	*			trans	-158.3	161.2	173.5	139.5	0	0	0	0	110.4
255	V	32	Very low	35.7	Very low	133 Å²	133	132.3 Å²	132.3	81%	0.806	79%	0.793	S	S	*	*			trans	-107.4	173.3	-174.4	-105.5	0	0	0	0	113
256	P	37.7	Very low	35.7	Very low	109 Å²	109	129.7 Å²	129.7	71%	0.708	79%	0.79	S	S	*	*			cis	-136.5	-166.2	3.5	41.8	-22.4	0	0	0	116.5
257	L	27.3	Very low	34.8	Very low	159 Å²	159	133.7 Å²	133.7	83%	0.832	80%	0.796	S	S	*	*			trans	87.9	105.3	160.9	-72.6	167.1	0	0	0	120.4
258	V	29.2	Very low	34.7	Very low	123 Å²	123	131.8 Å²	131.8	75%	0.745	79%	0.789	S	S	*	*	S	Bend	trans	57.4	80.2	145.6	-164.1	0	0	0	0	118
259	L	30.2	Very low	33.5	Very low	163 Å²	163	133.5 Å²	133.5	85%	0.853	79%	0.792	S	S	*	*				-176.2	99	113.6	-104.9	144.1	0	0	0	109.3
260	E	28.1	Very low	33.3	Very low	188 Å²	188	136.2 Å²	136.2	88%	0.879	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-85	130.8	175.4	-72.9	-171.6	138.2	0	0	111.7
261	P	42.2	Very low	32.9	Very low	115 Å²	115	138.4 Å²	138.4	75%	0.747	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-85.6	130.2	160.1	32.9	-29	0	0	0	110.2
262	P	34.1	Very low	32.2	Very low	134 Å²	134	138 Å²	138	87%	0.87	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-75	164.5	-176.5	30.1	-35	0	0	0	113.9
263	A	31	Very low	31.9	Very low	103 Å²	103	141.7 Å²	141.7	85%	0.851	81%	0.806	S	S	*	*			trans	-98.8	-166.7	-158.7	0	0	0	0	0	115.9
264	S	35.3	Very low	31.8	Very low	111 Å²	111	146.5 Å²	146.5	78%	0.776	81%	0.809	S	S	*	*			trans	-86.8	146.4	-168.1	49.4	0	0	0	0	115.6
265	A	31.7	Very low	31.3	Very low	96 Å²	96	147.1 Å²	147.1	79%	0.793	81%	0.807	S	S	*	*			trans	63.8	164.2	167.8	0	0	0	0	0	116.2
266	P	33.9	Very low	31.2	Very low	111 Å²	111	148.4 Å²	148.4	72%	0.721	80%	0.802	S	S	*	*			cis	-106.8	-166.8	-6.7	41.6	-31.4	0	0	0	112.1
267	F	28.1	Very low	30.9	Very low	206 Å²	206	149.6 Å²	149.6	90%	0.904	80%	0.798	S	S	*	*			trans	-118.7	113.7	159.7	49	-95.1	0	0	0	110.1
268	T	29.6	Very low	31	Very low	107 Å²	107	149 Å²	149	66%	0.656	80%	0.796	S	S	*	*			trans	-157	106.8	-176.1	-54.7	0	0	0	0	111.1
269	I	29.6	Very low	30.9	Very low	138 Å²	138	146.8 Å²	146.8	71%	0.708	80%	0.798	S	S	*	*			trans	71.8	136.7	148.9	-62.6	175.5	0	0	0	119.8
270	F	30.1	Very low	30.7	Very low	201 Å²	201	144.8 Å²	144.8	88%	0.882	80%	0.797	S	S	*	*			trans	44.5	134.6	164.1	-65.1	-49.2	0	0	0	122.5
271	Q	26	Very low	30.7	Very low	192 Å²	192	140.6 Å²	140.6	90%	0.897	80%	0.795	S	S	*	*			trans	-157.2	123.6	143.1	-127.1	173.3	22.1	0	0	112
272	D	26.4	Very low	29.9	Very low	149 Å²	149	139.2 Å²	139.2	80%	0.797	79%	0.793	S	S	*	*			trans	-160.2	152.9	150.8	-143.4	-15.4	0	0	0	107.4
273	Y	32.8	Very low	29.7	Very low	215 Å²	215	139.3 Å²	139.3	84%	0.843	79%	0.791	S	S	*	*			trans	64.6	148.8	-161	-51.4	-83.2	0	0	0	115.1
274	E	32	Very low	29.4	Very low	175 Å²	175	141 Å²	141	82%	0.818	79%	0.785	S	S	*	*			cis	-105.8	172.6	-4.2	-55.6	-163.4	127.8	0	0	111.5
275	D	30.6	Very low	29.1	Very low	161 Å²	161	143.7 Å²	143.7	86%	0.861	78%	0.783	S	S	*	*				-162	166.1	108.8	-130.5	-30.4	0	0	0	113.4
276	K	30.3	Very low	28.9	Very low	161 Å²	161	144.7 Å²	144.7	70%	0.7	77%	0.771	S	S	*	*			trans	-134.3	152	-173.9	-121	-170.9	177.4	-160.6	0	112.9
277	E	31.1	Very low	28.6	Very low	134 Å²	134	149.3 Å²	149.3	63%	0.626	77%	0.774	S	S	*	*			trans	72.8	132.8	149.1	-83.1	-177	-131.3	0	0	122.4
278	N	29.6	Very low	28.5	Very low	147 Å²	147	144.9 Å²	144.9	79%	0.786	77%	0.768	S	S	*	*			trans	69.6	130.2	146.4	-55.2	-32.1	0	0	0	120.7
279	G	25.2	Very low	28.5	Very low	76 Å²	76	149.3 Å²	149.3	78%	0.784	78%	0.779	S	S	*	*			trans	172.5	30.8	175.1	0	0	0	0	0	120.6
280	S	26.4	Very low	29.1	Very low	120 Å²	120	148.9 Å²	148.9	84%	0.839	79%	0.785	S	S	*	*			trans	30.9	116.9	161.3	-62.5	0	0	0	0	122.3
281	A	27.6	Very low	29.1	Very low	101 Å²	101	143.3 Å²	143.3	84%	0.835	78%	0.776	S	S	*	*			trans	33.5	133.4	135.6	0	0	0	0	0	120.6
282	A	27.4	Very low	29.3	Very low	85 Å²	85	146.1 Å²	146.1	70%	0.702	78%	0.778	S	S	*	*				179.1	150.3	68.4	0	0	0	0	0	114.5
283	V	27.9	Very low	29.4	Very low	137 Å²	137	142.8 Å²	142.8	83%	0.83	77%	0.772	S	S	*	*			trans	65	154	145.5	167.5	0	0	0	0	119.4
284	L	26.5	Very low	29.2	Very low	137 Å²	137	140 Å²	140	72%	0.717	77%	0.77	S	S	*	*			cis	-173.4	160.8	-43.4	-155.8	66.5	0	0	0	107.7
285	F	27.8	Very low	29	Very low	168 Å²	168	136.8 Å²	136.8	74%	0.737	76%	0.763	S	S	*	*			trans	67.3	146.4	172.7	-80.3	-103.2	0	0	0	117.1
286	E	28.1	Very low	29	Very low	118 Å²	118	137.1 Å²	137.1	55%	0.551	76%	0.759	S	S	*	*			cis	-159.1	164.6	-14.4	-141.3	-168.7	174.4	0	0	113
287	R	26.5	Very low	29.1	Very low	208 Å²	208	135.8 Å²	135.8	79%	0.785	76%	0.759	S	S	*	*			trans	38.2	144.6	146	-86.5	175.7	177.9	142.9	-10	121.3
288	S	26.9	Very low	29.2	Very low	112 Å²	112	135 Å²	135	78%	0.783	77%	0.769	S	S	*	*			cis	-161.6	165.4	25.9	47.4	0	0	0	0	114.9
289	K	30.1	Very low	29.1	Very low	201 Å²	201	131.6 Å²	131.6	87%	0.874	77%	0.768	S	S	*	*			trans	-99.4	156.9	164.3	-75.2	-179.8	174.4	175.3	0	109.5
290	P	41.8	Very low	30.4	Very low	129 Å²	129	134 Å²	134	84%	0.838	77%	0.77	S	S	*	*				-153.1	-166.5	79.3	36.9	-14.9	0	0	0	115
291	A	30	Very low	30.6	Very low	83 Å²	83	139.8 Å²	139.8	69%	0.686	77%	0.773	S	S	*	*				-174.6	152.9	-56.7	0	0	0	0	0	111.5
292	R	30.5	Very low	31.1	Very low	251 Å²	251	138.8 Å²	138.8	95%	0.947	77%	0.765	S	S	*	*			trans	65.2	163.6	164.3	-70.1	177.4	172.1	170.4	-3.7	117.4
293	A	28.5	Very low	31.2	Very low	80 Å²	80	142.6 Å²	142.6	66%	0.661	77%	0.773	S	S	*	*			cis	-171.3	163.9	-29.4	0	0	0	0	0	112.3
294	L	29.2	Very low	31.3	Very low	156 Å²	156	147.5 Å²	147.5	82%	0.817	78%	0.777	S	S	*	*			trans	71.1	127.8	144.3	-84.5	167.9	0	0	0	124.9
295	T	27.4	Very low	32.7	Very low	108 Å²	108	146.4 Å²	146.4	66%	0.663	78%	0.778	S	S	*	*			trans	63.9	115.5	141.9	35.3	0	0	0	0	126
296	E	30.1	Very low	32.8	Very low	168 Å²	168	144.4 Å²	144.4	79%	0.785	78%	0.775	S	S	*	*				77.6	145.4	115	-102.6	179.1	-160	0	0	127.5
297	L	33.4	Very low	32.8	Very low	133 Å²	133	146 Å²	146	70%	0.696	78%	0.783	S	S	*	*			trans	84.4	105.2	146	-68.4	165.4	0	0	0	125.3
298	S	31.8	Very low	33.1	Very low	118 Å²	118	142.1 Å²	142.1	83%	0.825	78%	0.782	S	S	*	*				73.8	146.8	113.2	-65.7	0	0	0	0	127
299	G	28.8	Very low	33.9	Very low	74 Å²	74	142.2 Å²	142.2	76%	0.763	78%	0.78	S	S	*	*			trans	115.3	160.9	150.9	0	0	0	0	0	116.2
300	P	50.9	Low	34	Very low	128 Å²	128	137.3 Å²	137.3	83%	0.831	77%	0.771	S	S	*	*			cis	-130.6	-164.9	-3.5	49.6	-35.1	0	0	0	111.8
301	R	31.7	Very low	33.5	Very low	241 Å²	241	138.3 Å²	138.3	91%	0.909	76%	0.764	S	S	*	*			cis	-143.7	-123.4	-8.8	-143	174.9	-167.7	162.9	5.5	115.1
302	A	37.2	Very low	33.5	Very low	79 Å²	79	140.9 Å²	140.9	65%	0.653	77%	0.766	S	S	*	*			trans	-175.6	166.7	-154.3	0	0	0	0	0	114.2
303	D	29.1	Very low	33.6	Very low	165 Å²	165	136 Å²	136	88%	0.882	76%	0.757	S	S	*	*			trans	-178.2	172.7	134.6	-91.7	-15.2	0	0	0	114.1
304	R	31.2	Very low	34.4	Very low	240 Å²	240	137.6 Å²	137.6	91%	0.906	76%	0.761	S	S	*	*			trans	-156.4	179.8	-171.5	-89.8	-170	177.3	-167.2	0.4	110.3
305	P	55.2	Low	34.3	Very low	115 Å²	115	137.5 Å²	137.5	75%	0.747	76%	0.761	S	S	*	*			cis	-125	-140.9	6.8	32	-5.7	0	0	0	112
306	N	30.1	Very low	34.3	Very low	126 Å²	126	139.9 Å²	139.9	67%	0.674	77%	0.765	S	S	*	*			cis	-158.6	-174.5	2.6	-146.6	29.7	0	0	0	112.8
307	E	27.4	Very low	34.2	Very low	152 Å²	152	136.8 Å²	136.8	71%	0.71	76%	0.761	S	S	*	*			trans	41.6	100.7	157.9	-77.8	160.4	-109.7	0	0	119.7
308	T	34.3	Very low	34.2	Very low	126 Å²	126	135.3 Å²	135.3	77%	0.773	76%	0.758	S	S	*	*				79.7	144.5	69.4	57.1	0	0	0	0	117.1
309	P	44.1	Very low	34	Very low	113 Å²	113	137.2 Å²	137.2	73%	0.734	76%	0.756	S	S	*	*			cis	-97.3	-150.3	-17.7	41.4	-33.3	0	0	0	109.4
310	S	31.6	Very low	34	Very low	98 Å²	98	145.1 Å²	145.1	69%	0.685	76%	0.763	S	S	*	*			cis	-157.5	175.7	1.6	-91.3	0	0	0	0	106.2
311	E	31.6	Very low	32.9	Very low	151 Å²	151	142 Å²	142	71%	0.706	75%	0.754	S	S	*	*			cis	169.2	129.2	-37.7	-96.4	158.8	104.7	0	0	105.3
312	L	30.1	Very low	32.8	Very low	137 Å²	137	135.2 Å²	135.2	72%	0.717	75%	0.749	S	S	*	*			cis	-139.1	161.4	-0.1	-78.4	171.2	0	0	0	107
313	I	32.7	Very low	32.4	Very low	148 Å²	148	142.1 Å²	142.1	76%	0.759	76%	0.759	S	S	*	*				64.1	133	54.1	-62.2	179	0	0	0	112.1
314	P	44.5	Very low	32.4	Very low	114 Å²	114	143.6 Å²	143.6	74%	0.74	75%	0.753	S	S	*	*			cis	-125.7	160.7	16	31.8	-11.6	0	0	0	118.3
315	D	27.6	Very low	32.3	Very low	153 Å²	153	139.1 Å²	139.1	82%	0.818	75%	0.747	S	S	*	*				26.4	165	130	-128.5	-24.5	0	0	0	125.4
316	E	27.1	Very low	31.1	Very low	159 Å²	159	138.4 Å²	138.4	74%	0.743	75%	0.745	S	S	*	*			trans	68.7	105.4	162.6	-64.2	-162.8	164.9	0	0	121.7
317	S	28.3	Very low	30.9	Very low	102 Å²	102	141.1 Å²	141.1	71%	0.713	76%	0.759	S	S	*	*				85.1	163.5	128.5	87.2	0	0	0	0	122.2
318	T	32.5	Very low	31	Very low	103 Å²	103	138.6 Å²	138.6	63%	0.632	76%	0.763	S	S	*	*			trans	74.7	104.8	139.7	-54.2	0	0	0	0	121.5
319	M	27.5	Very low	30.7	Very low	157 Å²	157	137.4 Å²	137.4	77%	0.773	77%	0.766	S	S	*	*			trans	80.4	149.4	136.8	-73.4	-179.4	-164.9	0	0	124.8
320	W	30	Very low	30.5	Very low	240 Å²	240	137.8 Å²	137.8	91%	0.909	77%	0.77	S	S	*	*			trans	16.7	138.1	146.7	-52.3	110.6	0	0	0	120
321	G	26.7	Very low	31.1	Very low	64 Å²	64	139.1 Å²	139.1	66%	0.66	78%	0.777	S	S	*	*			cis	137.7	149.6	19.2	0	0	0	0	0	112.3
322	A	29	Very low	31.3	Very low	97 Å²	97	139.6 Å²	139.6	80%	0.802	78%	0.784	S	S	*	*			trans	64.8	151.9	168.1	0	0	0	0	0	117.1
323	R	28.8	Very low	31.3	Very low	224 Å²	224	138.7 Å²	138.7	85%	0.845	79%	0.789	S	S	*	*			cis	-157.8	156	43.7	-79.8	-176.2	-178.7	-150.7	-2	113.7
324	Y	30.8	Very low	31.5	Very low	196 Å²	196	137.7 Å²	137.7	77%	0.769	79%	0.79	S	S	*	*			trans	13.5	139.2	146	-54.4	-81.6	0	0	0	119.6
325	N	29.2	Very low	30.8	Very low	146 Å²	146	138.7 Å²	138.7	78%	0.781	79%	0.794	S	S	*	*				-170.2	167.1	56.7	-121.8	-22.5	0	0	0	116.2
326	S	28.3	Very low	31	Very low	101 Å²	101	137.9 Å²	137.9	71%	0.706	79%	0.79	S	S	*	*			trans	-39	147.7	178.2	-45.4	0	0	0	0	121.9
327	L	26.6	Very low	31.1	Very low	183 Å²	183	139.6 Å²	139.6	96%	0.958	80%	0.795	S	S	*	*				-179.4	175.4	110.6	-94.7	167.4	0	0	0	112.3
328	A	30	Very low	31.1	Very low	98 Å²	98	138.8 Å²	138.8	81%	0.81	80%	0.795	S	S	*	*			trans	-135.1	161.6	-165.6	0	0	0	0	0	115
329	A	27.9	Very low	31.9	Very low	101 Å²	101	139.2 Å²	139.2	84%	0.835	80%	0.799	S	S	*	*			trans	-170.4	152.9	153.8	0	0	0	0	0	113.1
330	C	39.3	Very low	31.9	Very low	121 Å²	121	139.2 Å²	139.2	82%	0.818	80%	0.802	S	S	*	*			trans	-121.6	159	168.2	-53.8	0	0	0	0	110.4
331	P	44.4	Very low	31.7	Very low	126 Å²	126	132 Å²	132	82%	0.818	79%	0.793	S	S	*	*			trans	-135.1	164	152.9	36.8	-22.7	0	0	0	115
332	N	35.6	Very low	31.7	Very low	161 Å²	161	136.1 Å²	136.1	86%	0.861	80%	0.795	S	S	*	*			trans	-123.6	161.8	179.7	-41.1	-45.1	0	0	0	110.6
333	S	31	Very low	31.7	Very low	118 Å²	118	140.1 Å²	140.1	83%	0.825	80%	0.795	S	S	*	*			trans	-175.5	177.4	138.4	-153.4	0	0	0	0	113.4
334	T	36	Very low	31.6	Very low	127 Å²	127	135.6 Å²	135.6	78%	0.779	79%	0.792	S	S	*	*			trans	-147.9	147.2	-161.1	55.3	0	0	0	0	115.8
335	T	31.1	Very low	31.5	Very low	135 Å²	135	131.6 Å²	131.6	83%	0.828	79%	0.792	S	S	*	*			trans	-169.8	151.4	166.1	31.8	0	0	0	0	108.9
336	D	31.4	Very low	31.3	Very low	136 Å²	136	130.8 Å²	130.8	73%	0.727	79%	0.793	S	S	*	*			cis	-168.2	-171.8	-18.1	-151.6	-27.6	0	0	0	109.2
337	F	28.8	Very low	32.2	Very low	195 Å²	195	130.1 Å²	130.1	86%	0.855	79%	0.786	S	S	*	*			trans	85.7	137.9	166.1	-67.1	-71.1	0	0	0	121.9
338	A	28.5	Very low	32.3	Very low	85 Å²	85	131 Å²	131	70%	0.702	78%	0.783	S	S	*	*			trans	-140.1	-163.9	170.9	0	0	0	0	0	106.5
339	P	49.2	Very low	32.1	Very low	112 Å²	112	130.2 Å²	130.2	73%	0.727	78%	0.776	S	S	*	*			cis	-143.4	-169	3	33.2	-7.3	0	0	0	116.2
340	L	27.1	Very low	32	Very low	158 Å²	158	132.7 Å²	132.7	83%	0.827	77%	0.77	S	S	*	*			trans	126	141.1	138.3	-81.7	163.2	0	0	0	120.5
341	A	26.2	Very low	31.4	Very low	87 Å²	87	135.2 Å²	135.2	72%	0.719	77%	0.768	S	S	*	*			trans	67.9	155	159	0	0	0	0	0	120.5
342	Q	26.1	Very low	30.6	Very low	152 Å²	152	135.4 Å²	135.4	71%	0.71	77%	0.767	S	S	*	*			cis	-176.2	152.8	-49.9	-116.9	-179.9	2.6	0	0	110.4
343	F	29.8	Very low	31.1	Very low	181 Å²	181	132.5 Å²	132.5	79%	0.794	76%	0.756	S	S	*	*			trans	62.3	160.7	166.2	-62.8	-66.8	0	0	0	117.6
344	V	25.9	Very low	30.8	Very low	128 Å²	128	135.8 Å²	135.8	78%	0.776	76%	0.756	S	S	*	*			cis	-141.6	150.9	-2.1	-158.6	0	0	0	0	110.6
345	S	28.3	Very low	30.2	Very low	112 Å²	112	135.1 Å²	135.1	78%	0.783	76%	0.756	S	S	*	*			trans	22.5	158.1	154.4	-58.7	0	0	0	0	127.7
346	T	25.8	Very low	29.9	Very low	129 Å²	129	131.5 Å²	131.5	79%	0.791	75%	0.746	S	S	*	*			trans	-96.7	-154.3	165.2	58.7	0	0	0	0	110.2
347	P	48.1	Very low	29.5	Very low	87 Å²	87	130 Å²	130	57%	0.565	75%	0.745	S	S	*	*			cis	-141.3	-177.5	-10.4	30.9	-5.9	0	0	0	117.4
348	F	26.8	Very low	29.2	Very low	201 Å²	201	128.8 Å²	128.8	88%	0.882	74%	0.74	S	S	*	*			trans	63.8	160.6	162.5	-58.1	-57.1	0	0	0	117.4
349	A	27.4	Very low	29.1	Very low	82 Å²	82	133.1 Å²	133.1	68%	0.678	74%	0.743	S	S	*	*			cis	-164.2	-161.6	-28.6	0	0	0	0	0	106.4
350	H	26.1	Very low	28	Very low	154 Å²	154	135.3 Å²	135.3	71%	0.713	75%	0.748	S	S	*	*			cis	-168.3	153.9	4	-149.4	18.2	0	0	0	111.5
351	K	25.1	Very low	28.1	Very low	174 Å²	174	131.5 Å²	131.5	76%	0.757	74%	0.739	S	S	*	*			trans	65.5	135	154.7	-70.6	176.3	-177	174.6	0	123.2
352	T	27.8	Very low	28.1	Very low	130 Å²	130	135.7 Å²	135.7	80%	0.798	74%	0.744	S	S	*	*			trans	-95.1	-156.1	153.2	56	0	0	0	0	108.6
353	P	47.5	Very low	28.3	Very low	99 Å²	99	136.4 Å²	136.4	64%	0.643	75%	0.747	S	S	*	*			cis	-138.7	-150.4	-9.3	37.6	-13.9	0	0	0	114.7
354	F	24	Very low	28.3	Very low	188 Å²	188	133.6 Å²	133.6	83%	0.825	74%	0.74	S	S	*	*			trans	94.3	135.1	174	-72.7	-96.8	0	0	0	117.1
355	S	23.6	Very low	28.6	Very low	112 Å²	112	134.5 Å²	134.5	78%	0.783	74%	0.741	S	S	*	*			cis	116.1	145.6	0.6	-169.3	0	0	0	0	115.6
356	G	23.6	Very low	28.4	Very low	60 Å²	60	132.2 Å²	132.2	62%	0.619	74%	0.735	S	S	*	*			trans	119.9	121.8	-172.3	0	0	0	0	0	110.7
357	C	24.2	Very low	28.5	Very low	103 Å²	103	134 Å²	134	70%	0.696	74%	0.74	S	S	*	*			cis	70	144.3	36.3	-45.8	0	0	0	0	112.9
358	F	23.2	Very low	27.7	Very low	171 Å²	171	132.9 Å²	132.9	75%	0.75	74%	0.744	S	S	*	*			cis	-137	-158.8	7.5	-65.3	-95.8	0	0	0	110
359	F	25.5	Very low	27.8	Very low	176 Å²	176	131.7 Å²	131.7	77%	0.772	75%	0.747	S	S	*	*			cis	-165.1	-172.6	4.2	-131.7	-27.1	0	0	0	112.2
360	L	26.6	Very low	28.3	Very low	158 Å²	158	134.1 Å²	134.1	83%	0.827	75%	0.748	S	S	*	*			trans	90.3	138	158.6	-52.2	-171.4	0	0	0	119.9
361	A	27.8	Very low	28.7	Very low	77 Å²	77	134.2 Å²	134.2	64%	0.636	75%	0.749	S	S	*	*			cis	-165.6	155.5	-18.8	0	0	0	0	0	112.1
362	E	27.2	Very low	29.1	Very low	176 Å²	176	131.4 Å²	131.4	82%	0.822	74%	0.742	S	S	*	*			trans	42	129.7	148.4	-67.8	170.5	-172	0	0	121.1
363	E	29.9	Very low	29.3	Very low	167 Å²	167	129.9 Å²	129.9	78%	0.78	73%	0.733	S	S	*	*				74.5	150.9	59.1	-71.8	-163.7	-178.7	0	0	114.4
364	N	30.9	Very low	28.5	Very low	121 Å²	121	134.1 Å²	134.1	65%	0.647	74%	0.741	S	S	*	*			cis	-151.2	-175.7	4	-138.6	-47.5	0	0	0	107.7
365	N	31.5	Very low	28.9	Very low	147 Å²	147	131.1 Å²	131.1	79%	0.786	73%	0.732	S	S	*	*			cis	-162.7	174	5.1	-167.2	6.8	0	0	0	110.5
366	G	24.5	Very low	29.2	Very low	64 Å²	64	135.5 Å²	135.5	66%	0.66	73%	0.732	S	S	*	*			trans	128.9	91.7	168.8	0	0	0	0	0	113
367	D	28.2	Very low	29.6	Very low	167 Å²	167	142.7 Å²	142.7	89%	0.893	74%	0.74	S	S	*	*				74.9	121.9	59.1	-161.5	48.3	0	0	0	113
368	G	30.7	Very low	29.9	Very low	64 Å²	64	145.5 Å²	145.5	66%	0.66	74%	0.743	S	S	*	*			cis	166	148.7	-7.9	0	0	0	0	0	111.7
369	D	29.5	Very low	30.2	Very low	175 Å²	175	142 Å²	142	94%	0.936	74%	0.736	S	S	*	*			trans	-175.7	169.1	139	-139.3	-23.7	0	0	0	111.8
370	D	36.9	Very low	30.4	Very low	133 Å²	133	142.5 Å²	142.5	71%	0.711	74%	0.738	S	S	*	*			trans	-123.6	176.4	-160.8	-149.3	-19.1	0	0	0	115.1
371	E	35.7	Very low	30.8	Very low	156 Å²	156	144.9 Å²	144.9	73%	0.729	74%	0.741	S	S	*	*			trans	140.9	142.1	148.6	-78.5	-81.2	114.6	0	0	114.8
372	N	33.5	Very low	31	Very low	115 Å²	115	149 Å²	149	62%	0.615	75%	0.752	S	S	*	*			cis	-169.1	-175.3	-37.6	-143.4	-39.6	0	0	0	112.2
373	V	32	Very low	31.2	Very low	98 Å²	98	145.1 Å²	145.1	59%	0.594	74%	0.744	S	S	*	*			trans	85.2	138.4	154.2	-132.8	0	0	0	0	122.6
374	F	29.7	Very low	31.6	Very low	188 Å²	188	142.9 Å²	142.9	83%	0.825	74%	0.744	S	S	*	*			trans	83.9	139.5	161	-68.7	-74	0	0	0	121.1
375	I	32.7	Very low	31.6	Very low	125 Å²	125	145.3 Å²	145.3	64%	0.641	76%	0.756	S	S	*	*				-171.9	128.4	-65.6	-95.5	-81.2	0	0	0	110
376	R	28.6	Very low	31.3	Very low	204 Å²	204	145.4 Å²	145.4	77%	0.77	75%	0.753	S	S	*	*			trans	57.9	150.2	155	-75.5	-177.6	177.2	-168.8	1.4	120.7
377	R	33.8	Very low	31.7	Very low	212 Å²	212	151.8 Å²	151.8	80%	0.8	77%	0.766	S	S	*	*			cis	-174.5	178.3	-23.3	-128.3	-174.6	-170.2	-174.4	2.3	109.6
378	Q	30.4	Very low	31.7	Very low	161 Å²	161	151.5 Å²	151.5	75%	0.752	76%	0.759	S	S	*	*			trans	92.4	137.7	160.6	-54.3	-142.3	27.9	0	0	116.6
379	T	28.1	Very low	31.6	Very low	97 Å²	97	154 Å²	154	60%	0.595	77%	0.767	S	S	*	*			cis	-157.4	155	-0.2	5.1	0	0	0	0	116.7
380	K	29.3	Very low	32.5	Very low	187 Å²	187	151.7 Å²	151.7	81%	0.813	76%	0.761	S	S	*	*			trans	67	110.3	144.2	-75.3	155.9	-173.7	175.3	0	121.5
381	K	36	Very low	32.2	Very low	208 Å²	208	149.1 Å²	149.1	90%	0.904	76%	0.758	S	S	*	*			trans	-112.1	142.1	131.3	-84	-173.2	175.6	-178	0	108.8
382	L	30.8	Very low	32	Very low	164 Å²	164	149.2 Å²	149.2	86%	0.859	76%	0.764	S	S	*	*			trans	-172.1	147.8	162.4	-87.4	-162.6	0	0	0	106.4
383	S	31.6	Very low	31.7	Very low	95 Å²	95	151.1 Å²	151.1	66%	0.664	77%	0.774	S	S	*	*			cis	-147.8	166.4	3.3	-81.4	0	0	0	0	110.7
384	P	40.1	Very low	31.6	Very low	120 Å²	120	150.7 Å²	150.7	78%	0.779	78%	0.781	S	S	*	*			trans	-86.9	173.2	168.5	37.2	-35.8	0	0	0	113.1
385	I	29.2	Very low	31.5	Very low	172 Å²	172	146.2 Å²	146.2	88%	0.882	78%	0.779	S	S	*	*			trans	-130.2	152.7	173	-74.9	179.9	0	0	0	110.3
386	M	26.2	Very low	31.3	Very low	149 Å²	149	144.9 Å²	144.9	73%	0.734	79%	0.786	S	S	*	*			trans	-85.5	161	-176.9	-59.1	138.5	53.1	0	0	113.2
387	E	32	Very low	31.3	Very low	197 Å²	197	140.5 Å²	140.5	92%	0.921	79%	0.794	S	S	*	*			trans	-144.9	159.4	131.5	-135.3	165	-147.8	0	0	109.8
388	Q	28.3	Very low	30.9	Very low	162 Å²	162	134.4 Å²	134.4	76%	0.757	80%	0.797	S	S	*	*			trans	-131.8	165	-172.4	-72.9	-177.2	-26	0	0	111.1
389	S	28.4	Very low	30.8	Very low	117 Å²	117	131.4 Å²	131.4	82%	0.818	80%	0.799	S	S	*	*			trans	-145.6	145.5	162.7	-73	0	0	0	0	110.7
390	P	49	Very low	31.8	Very low	125 Å²	125	131.9 Å²	131.9	81%	0.812	80%	0.804	S	S	*	*			trans	-85.2	177.9	-177.1	37.1	-37.5	0	0	0	111.5
391	A	31.2	Very low	31.7	Very low	80 Å²	80	130 Å²	130	66%	0.661	80%	0.802	S	S	*	*			cis	178.9	151.6	-32.2	0	0	0	0	0	105.4
392	D	30.4	Very low	31.3	Very low	157 Å²	157	127.2 Å²	127.2	84%	0.84	80%	0.796	S	S	*	*			trans	172.6	142.1	131.5	-87.3	-15	0	0	0	112.9
393	D	28.8	Very low	32.1	Very low	155 Å²	155	124.7 Å²	124.7	83%	0.829	79%	0.79	S	S	*	*			trans	50.4	127.3	152.1	-81.9	-14.1	0	0	0	126.7
394	A	29.1	Very low	32.7	Very low	89 Å²	89	125 Å²	125	74%	0.736	79%	0.79	S	S	*	*				82.9	90.4	125.9	0	0	0	0	0	122.5
395	A	28.2	Very low	32.1	Very low	95 Å²	95	124.8 Å²	124.8	79%	0.785	79%	0.791	S	S	*	*				69.7	105.7	111.9	0	0	0	0	0	122.4
396	A	28.1	Very low	32.2	Very low	97 Å²	97	120.8 Å²	120.8	80%	0.802	78%	0.784	S	S	*	*				89.7	130.4	114.5	0	0	0	0	0	123
397	A	27.9	Very low	32.4	Very low	112 Å²	112	125.6 Å²	125.6	93%	0.926	79%	0.794	S	S	*	*			trans	71.8	142.9	145.8	0	0	0	0	0	120.7
398	G	26.3	Very low	32.3	Very low	84 Å²	84	125.9 Å²	125.9	87%	0.866	80%	0.795	S	S	*	*			trans	139.1	113.2	164.2	0	0	0	0	0	115.8
399	A	28.2	Very low	32.3	Very low	97 Å²	97	121.4 Å²	121.4	80%	0.802	79%	0.793	S	S	*	*			trans	-143	178.2	161.2	0	0	0	0	0	107
400	P	48.2	Very low	32.4	Very low	108 Å²	108	121.9 Å²	121.9	70%	0.701	79%	0.791	S	S	*	*			cis	-138.9	-163	-4.6	39.1	-17.6	0	0	0	114
401	L	27.9	Very low	31.6	Very low	146 Å²	146	123 Å²	123	76%	0.764	79%	0.789	S	S	*	*			trans	69.6	120.6	154.3	-63.3	167.4	0	0	0	122.6
402	L	27.8	Very low	31.4	Very low	150 Å²	150	128.3 Å²	128.3	79%	0.785	80%	0.802	S	S	*	*				41.3	164.1	124	-66.3	178	0	0	0	123.1
403	P	46.5	Very low	31.3	Very low	111 Å²	111	125 Å²	125	72%	0.721	80%	0.796	S	S	*	*				-123.3	-119	-53.4	30.8	-8.6	0	0	0	113.6
404	P	44.4	Very low	31.4	Very low	103 Å²	103	126 Å²	126	67%	0.669	80%	0.802	S	S	*	*				-125	166.6	-98	36.4	-18.4	0	0	0	118.7
405	S	28.9	Very low	31.4	Very low	114 Å²	114	124.3 Å²	124.3	80%	0.797	79%	0.793	S	S	*	*			trans	81.8	147.6	144.3	77.5	0	0	0	0	122.4
406	A	30.1	Very low	31.4	Very low	89 Å²	89	130.1 Å²	130.1	74%	0.736	80%	0.801	S	S	*	*			trans	63.4	125.6	154.8	0	0	0	0	0	122
407	R	30.9	Very low	31.3	Very low	250 Å²	250	130.1 Å²	130.1	94%	0.943	80%	0.8	S	S	*	*				-170.1	162.9	109.6	-102.3	169.6	-175	-157	-0.2	113.7
408	Q	29.5	Very low	31.5	Very low	202 Å²	202	130.3 Å²	130.3	94%	0.944	80%	0.795	S	S	*	*			trans	-123.8	160.1	178.4	-66.6	154	-70.5	0	0	110.4
409	G	27.6	Very low	31.6	Very low	69 Å²	69	131.4 Å²	131.4	71%	0.711	79%	0.79	S	S	*	*			trans	119.1	161.5	161.4	0	0	0	0	0	116.4
410	T	31.9	Very low	31.7	Very low	126 Å²	126	132 Å²	132	77%	0.773	79%	0.787	S	S	*	*			cis	-167.4	131.9	-5.9	-91.8	0	0	0	0	111.2
411	I	30.9	Very low	30.8	Very low	150 Å²	150	134.4 Å²	134.4	77%	0.769	79%	0.793	S	S	*	*			trans	46.2	127.1	149	-61.8	171.4	0	0	0	121.3
412	M	27.3	Very low	30.9	Very low	191 Å²	191	132 Å²	132	94%	0.941	79%	0.788	S	S	*	*				-154.9	164.7	118.4	-107.7	-160.7	-67.4	0	0	111.5
413	A	28.8	Very low	31.1	Very low	87 Å²	87	132.9 Å²	132.9	72%	0.719	79%	0.79	S	S	*	*			trans	-152.3	160.2	-165	0	0	0	0	0	113.4
414	D	30	Very low	30.3	Very low	177 Å²	177	134.1 Å²	134.1	95%	0.947	80%	0.796	S	S	*	*			trans	167.1	152.1	154.5	-89.9	-21.4	0	0	0	108
415	G	29.7	Very low	29.5	Very low	53 Å²	53	138.2 Å²	138.2	55%	0.546	81%	0.806	S	S	.	*			cis	176.8	168	-5.5	0	0	0	0	0	111.3
416	F	28	Very low	30.1	Very low	217 Å²	217	138.4 Å²	138.4	95%	0.952	81%	0.805	S	S	*	*			trans	68.9	143.8	177.5	-57.1	-84.1	0	0	0	117.6
417	A	27.3	Very low	31.3	Very low	96 Å²	96	139.5 Å²	139.5	79%	0.793	80%	0.804	S	S	*	*			cis	-156.9	172.3	-15.1	0	0	0	0	0	110.1
418	S	31.6	Very low	32.5	Very low	117 Å²	117	133.1 Å²	133.1	82%	0.818	80%	0.795	S	S	*	*			trans	-151	156.5	-169	-175.7	0	0	0	0	115.6
419	S	28.2	Very low	33.1	Very low	107 Å²	107	128.9 Å²	128.9	75%	0.748	79%	0.785	S	S	*	*			trans	-151	134.9	163.5	44.8	0	0	0	0	108.7
420	C	29.7	Very low	33.2	Very low	110 Å²	110	129.6 Å²	129.6	74%	0.743	79%	0.785	S	S	*	*			cis	84.2	131.6	43.9	-65.4	0	0	0	0	113.3
421	L	30.7	Very low	33.1	Very low	157 Å²	157	131.3 Å²	131.3	82%	0.822	79%	0.788	S	S	*	*			cis	-167.3	163.8	3.2	-112.4	169.5	0	0	0	112.7
422	S	29.9	Very low	33	Very low	96 Å²	96	130.9 Å²	130.9	67%	0.671	79%	0.787	S	S	*	*			trans	44.1	128.1	148.8	-155.8	0	0	0	0	121.9
423	M	31.8	Very low	33.1	Very low	168 Å²	168	125.5 Å²	125.5	83%	0.828	77%	0.768	S	S	*	*			cis	78.4	125.6	46.4	-71.9	-76.8	170.6	0	0	117.7
424	T	29.6	Very low	33.3	Very low	138 Å²	138	129.4 Å²	129.4	85%	0.847	77%	0.769	S	S	*	*				168.6	155.7	125.1	34.4	0	0	0	0	117.9
425	Q	27.9	Very low	33.5	Very low	188 Å²	188	130 Å²	130	88%	0.879	76%	0.758	S	S	*	*			trans	97.9	125.7	159.6	-64.8	-144.8	-37.2	0	0	123
426	P	40.1	Very low	33.7	Very low	119 Å²	119	131.4 Å²	131.4	77%	0.773	75%	0.753	S	S	*	*			trans	-132.4	-145.1	171.6	34.3	-10.2	0	0	0	113.7
427	P	55.1	Low	33.9	Very low	111 Å²	111	127.9 Å²	127.9	72%	0.721	74%	0.74	S	S	*	*				-115.9	-156.2	-89.7	43.1	-25.5	0	0	0	111.2
428	P	56.8	Low	34.1	Very low	117 Å²	117	128.4 Å²	128.4	76%	0.76	73%	0.733	S	S	*	*			cis	-117.7	-116	-8.9	36.9	-13.5	0	0	0	110.9
429	P	42.3	Very low	33.8	Very low	112 Å²	112	130.3 Å²	130.3	73%	0.727	73%	0.733	S	S	*	*			cis	-121	-177.1	1.9	44.8	-30.2	0	0	0	116.1
430	A	29.2	Very low	33.8	Very low	85 Å²	85	130.4 Å²	130.4	70%	0.702	73%	0.733	S	S	*	*			trans	65.6	131.7	170.1	0	0	0	0	0	117.8
431	L	29.5	Very low	34.8	Very low	161 Å²	161	131 Å²	131	84%	0.843	74%	0.735	S	S	*	*			cis	78.5	126.6	43.2	-68.5	165.7	0	0	0	112.6
432	L	28.8	Very low	34.6	Very low	141 Å²	141	127.5 Å²	127.5	74%	0.738	73%	0.729	S	S	*	*			cis	-134.1	145.1	16.6	-96.7	163.7	0	0	0	114	F434	L432-F434 HydrophobicContact CD2-CD2 4.22Å; L432-F434 HydrophobicContact CD2-CE2 4.1Å
433	S	30.1	Very low	34.5	Very low	78 Å²	78	131.9 Å²	131.9	55%	0.545	74%	0.739	S	S	.	*			trans	-86.7	157.8	150	107.8	0	0	0	0	109.2
434	F	32.9	Very low	34.3	Very low	169 Å²	169	128 Å²	128	74%	0.741	73%	0.733	S	S	*	*				-173.4	133.9	119	-82.7	-67.8	0	0	0	106.1	L432	L432-F434 HydrophobicContact CD2-CD2 4.22Å; L432-F434 HydrophobicContact CD2-CE2 4.1Å
435	R	34.7	Very low	34.2	Very low	189 Å²	189	127.4 Å²	127.4	71%	0.713	74%	0.735	S	S	*	*				66.8	152.5	65	-87.5	179	154.9	-128.1	9.4	112.3
436	D	33	Very low	34.2	Very low	83 Å²	83	122.4 Å²	122.4	44%	0.444	73%	0.733	S	S	.	*			cis	-159.8	-173.5	16.2	-121	-25.8	0	0	0	108.7
437	Q	33.7	Very low	33.6	Very low	144 Å²	144	121.4 Å²	121.4	67%	0.673	74%	0.735	S	S	*	*			cis	-154.9	126.7	6.8	-130	145.8	65.3	0	0	106.8
438	T	30.7	Very low	32.5	Very low	107 Å²	107	120.6 Å²	120.6	66%	0.656	74%	0.738	S	S	*	*				67.5	157.7	108.2	68.4	0	0	0	0	118.4
439	L	25	Very low	31	Very low	156 Å²	156	118.4 Å²	118.4	82%	0.817	74%	0.736	S	S	*	*			cis	-142.1	159.4	12.8	-112.4	121.1	0	0	0	111.3
440	C	28.4	Very low	30.4	Very low	110 Å²	110	124.4 Å²	124.4	74%	0.743	75%	0.745	S	S	*	*			trans	-101	-179.1	158.8	-55.9	0	0	0	0	108.5
441	P	51.3	Low	30.3	Very low	122 Å²	122	128.1 Å²	128.1	79%	0.792	75%	0.748	S	S	*	*			cis	-144.1	-163.3	9.2	43.3	-22.3	0	0	0	115.9
442	A	26	Very low	30.3	Very low	83 Å²	83	125.3 Å²	125.3	69%	0.686	74%	0.737	S	S	*	*			trans	91.1	117.8	147.1	0	0	0	0	0	121.7
443	E	26.9	Very low	30.2	Very low	189 Å²	189	125.6 Å²	125.6	88%	0.883	74%	0.74	S	S	*	*			trans	55.8	121.4	131.1	-57.8	-165.4	149.6	0	0	123.9
444	A	27.2	Very low	30.1	Very low	86 Å²	86	126.5 Å²	126.5	71%	0.711	75%	0.751	S	S	*	*				64.2	118.9	127.3	0	0	0	0	0	122.5
445	S	28.7	Very low	30.1	Very low	126 Å²	126	123.8 Å²	123.8	88%	0.881	75%	0.753	S	S	*	*			trans	66.5	141.9	142.1	71	0	0	0	0	120
446	G	26.8	Very low	31.3	Very low	82 Å²	82	120.3 Å²	120.3	85%	0.845	76%	0.756	S	S	*	*			trans	149.8	134.2	167.8	0	0	0	0	0	113.7
447	A	28.5	Very low	32.2	Very low	99 Å²	99	121.3 Å²	121.3	82%	0.818	77%	0.767	S	S	*	*			trans	-98.6	156.3	-175.4	0	0	0	0	0	114
448	A	31.6	Very low	31.9	Very low	93 Å²	93	123.6 Å²	123.6	77%	0.769	78%	0.777	S	S	*	*			trans	59.2	96.1	142.4	0	0	0	0	0	121.9
449	G	25.8	Very low	31.9	Very low	71 Å²	71	125.4 Å²	125.4	73%	0.732	78%	0.783	S	S	*	*				87.9	178.4	110.8	0	0	0	0	0	121.4
450	W	28.6	Very low	33.1	Very low	238 Å²	238	123.2 Å²	123.2	90%	0.902	78%	0.778	S	S	*	*			trans	70.6	104.6	171.5	-55	79.5	0	0	0	118.8
451	E	28.1	Very low	33.1	Very low	164 Å²	164	125.7 Å²	125.7	77%	0.766	78%	0.783	S	S	*	*				26	152.1	106.4	-68.6	-167.1	-165.7	0	0	120.4
452	T	28.7	Very low	32.1	Very low	102 Å²	102	130.8 Å²	130.8	63%	0.626	79%	0.786	S	S	*	*			cis	-164.1	-177.9	9.9	8.9	0	0	0	0	111.9
453	N	27	Very low	32.7	Very low	147 Å²	147	133 Å²	133	79%	0.786	79%	0.794	S	S	*	*			trans	96.5	147.5	157.3	-52.7	-69.1	0	0	0	117.1
454	A	28.8	Very low	32.8	Very low	96 Å²	96	131.5 Å²	131.5	79%	0.793	79%	0.79	S	S	*	*			cis	-135.2	166.3	13.3	0	0	0	0	0	115.2
455	S	32.4	Very low	32.8	Very low	112 Å²	112	139 Å²	139	78%	0.783	80%	0.8	S	S	*	*			trans	-119.2	-156.8	-177	-45.7	0	0	0	0	109.3
456	P	60.8	Low	33.1	Very low	117 Å²	117	141.4 Å²	141.4	76%	0.76	80%	0.797	S	S	*	*			cis	-130.3	-142.5	-12.7	44.8	-24.9	0	0	0	109.7
457	P	50.6	Low	33.6	Very low	104 Å²	104	142.9 Å²	142.9	68%	0.675	79%	0.792	S	S	*	*			cis	-133.3	155.7	-20.4	35.3	-16.9	0	0	0	116.4
458	Q	28.5	Very low	33.5	Very low	192 Å²	192	146.4 Å²	146.4	90%	0.897	79%	0.789	S	S	*	*				166.8	155.4	112.5	-88	-169.1	11.8	0	0	112.8
459	N	30.4	Very low	33.3	Very low	145 Å²	145	150.9 Å²	150.9	78%	0.775	79%	0.794	S	S	*	*			trans	-162	155.9	179.9	-157.6	-9.8	0	0	0	106.2
460	P	49.7	Very low	33.5	Very low	109 Å²	109	154.9 Å²	154.9	71%	0.708	80%	0.797	S	S	*	*				-160.9	149.7	92.4	39.8	-18.5	0	0	0	120.1
461	L	28.8	Very low	33.4	Very low	163 Å²	163	150.4 Å²	150.4	85%	0.853	79%	0.79	S	S	*	*			trans	77.2	142.4	130.9	-72.7	170.8	0	0	0	125.4
462	R	30.1	Very low	33.4	Very low	228 Å²	228	150.9 Å²	150.9	86%	0.86	79%	0.792	S	S	*	*			trans	-93.5	175	153.9	-51.1	171.9	171.9	174.4	-5.4	109.2
463	P	38.2	Very low	33.5	Very low	130 Å²	130	152.6 Å²	152.6	84%	0.844	80%	0.798	S	S	*	*				-158.8	-155.3	83.4	43.5	-21.3	0	0	0	115.8
464	I	29.7	Very low	34.4	Very low	158 Å²	158	151 Å²	151	81%	0.81	80%	0.796	S	S	*	*			trans	-119.8	143.9	-173.1	-56.4	158.1	0	0	0	110
465	R	26.5	Very low	34.3	Very low	242 Å²	242	155 Å²	155	91%	0.913	80%	0.798	S	S	*	*			trans	171	162.2	135.9	-97.6	173.4	176.1	-174	-2.4	115.3
466	E	36.4	Very low	34.3	Very low	177 Å²	177	160.7 Å²	160.7	83%	0.827	80%	0.802	S	S	*	*			trans	-79.6	170.6	-179.2	-54.2	161.8	139.5	0	0	112.9
467	P	36.8	Very low	33.3	Very low	113 Å²	113	161.3 Å²	161.3	73%	0.734	81%	0.806	S	S	*	*				-148.5	-175.9	102.8	40.6	-23.9	0	0	0	117
468	F	25.5	Very low	32.1	Very low	173 Å²	173	159.9 Å²	159.9	76%	0.759	81%	0.811	S	S	*	*			trans	-102.3	157	-165	36.9	-95.2	0	0	0	114.6
469	Q	27.6	Very low	32.1	Very low	188 Å²	188	156.3 Å²	156.3	88%	0.879	81%	0.806	S	S	*	*			trans	-171	178.1	132.8	-110	173.6	20.8	0	0	113.8
470	I	29.8	Very low	32.4	Very low	154 Å²	154	155.3 Å²	155.3	79%	0.79	81%	0.808	S	S	*	*			trans	-126.8	141.5	-155.3	-62.3	155.8	0	0	0	111.3
471	L	27.1	Very low	31.4	Very low	145 Å²	145	159 Å²	159	76%	0.759	82%	0.816	S	S	*	*			trans	-160	121.9	142.9	-148	65.1	0	0	0	115.1
472	E	27.3	Very low	32.2	Very low	173 Å²	173	156.8 Å²	156.8	81%	0.808	81%	0.812	S	S	*	*			trans	52	144.6	144.7	-64.1	172.7	159.4	0	0	125.1
473	D	31.7	Very low	32	Very low	139 Å²	139	152.4 Å²	152.4	74%	0.743	81%	0.805	S	S	*	*			trans	-86.3	165	169.9	-159.8	-4.2	0	0	0	109.3	E475	D473-E475 PolarHBondContact OD1-N 2.93Å; D473-E475 VanDerWaalsContact OD1-N 3.13Å
474	P	45.2	Very low	31.6	Very low	113 Å²	113	153.5 Å²	153.5	73%	0.734	80%	0.799	S	S	*	*				-154.1	135.8	89.4	36.5	-15.6	0	0	0	118.7
475	E	28.3	Very low	31.6	Very low	180 Å²	180	152 Å²	152	84%	0.841	79%	0.793	S	S	*	*			trans	80.3	154.4	133.2	-69.1	-139.8	133.6	0	0	124	D473	D473-E475 PolarHBondContact OD1-N 2.93Å; D473-E475 VanDerWaalsContact OD1-N 3.13Å
476	R	32.1	Very low	31.7	Very low	232 Å²	232	151.8 Å²	151.8	88%	0.875	79%	0.792	S	S	*	*			trans	-72.9	180	-179.7	-81.5	174	175.1	178.7	-1.7	113.1
477	P	38.1	Very low	31.3	Very low	129 Å²	129	151.1 Å²	151.1	84%	0.838	79%	0.793	S	S	*	*			cis	-130.5	-175.7	14.9	41.7	-23.3	0	0	0	114.7
478	G	25.4	Very low	30.9	Very low	75 Å²	75	148.9 Å²	148.9	77%	0.773	79%	0.791	S	S	*	*			cis	-174.9	179.2	1.5	0	0	0	0	0	111.9
479	S	28.8	Very low	30.9	Very low	116 Å²	116	148.3 Å²	148.3	81%	0.811	80%	0.796	S	S	*	*			trans	-84.3	171.4	179.3	54.4	0	0	0	0	113.3
480	P	36.6	Very low	31.2	Very low	125 Å²	125	145.8 Å²	145.8	81%	0.812	79%	0.793	S	S	*	*				-138.4	165.8	96.3	39.4	-28.5	0	0	0	115.7
481	E	28.4	Very low	32.2	Very low	185 Å²	185	143.2 Å²	143.2	86%	0.864	79%	0.786	S	S	*	*			trans	-93.2	172.4	169.2	-97.6	-171	145.2	0	0	112.1
482	P	46.9	Very low	32.1	Very low	118 Å²	118	144.4 Å²	144.4	77%	0.766	79%	0.79	S	S	*	*			trans	-86.3	146.2	178.7	34.4	-35	0	0	0	114.3
483	D	26.5	Very low	32.7	Very low	136 Å²	136	141.1 Å²	141.1	73%	0.727	79%	0.786	S	S	*	*			trans	-140.5	121.3	174	-125.6	11.5	0	0	0	108.1
484	Q	29.5	Very low	33.6	Very low	152 Å²	152	139 Å²	139	71%	0.71	78%	0.78	S	S	*	*				85.1	121.3	78.6	-79.6	-160.1	75.6	0	0	117.5
485	N	29.4	Very low	32.8	Very low	128 Å²	128	142 Å²	142	68%	0.684	78%	0.784	S	S	*	*			trans	50.3	114.2	139.7	-69.1	-46	0	0	0	122.3
486	R	27.7	Very low	32.7	Very low	237 Å²	237	139.4 Å²	139.4	89%	0.894	78%	0.784	S	S	*	*				-176.6	136.7	109.7	-92.6	154.5	-168.8	-131.4	1.6	109.9
487	L	28.6	Very low	32.3	Very low	162 Å²	162	132.4 Å²	132.4	85%	0.848	78%	0.776	S	S	*	*			cis	100.8	115.8	43.4	-160.4	171.8	0	0	0	110.4
488	G	27.6	Very low	32.3	Very low	67 Å²	67	132 Å²	132	69%	0.691	77%	0.774	S	S	*	*			trans	-173.7	89.6	-179.3	0	0	0	0	0	115.6
489	D	27.2	Very low	32.4	Very low	161 Å²	161	138.4 Å²	138.4	86%	0.861	78%	0.78	S	S	*	*			trans	67.6	168.3	150.1	-57	-27	0	0	0	123.6
490	V	32.3	Very low	32.5	Very low	134 Å²	134	137.8 Å²	137.8	81%	0.812	78%	0.782	S	S	*	*			trans	-161.4	165.3	-148.6	160	0	0	0	0	106.1
491	P	51.1	Low	31.9	Very low	101 Å²	101	137.3 Å²	137.3	66%	0.656	78%	0.782	S	S	*	*			cis	-128	176.6	-0.7	25	-1.2	0	0	0	115.4
492	M	26	Very low	31.9	Very low	170 Å²	170	133.2 Å²	133.2	84%	0.837	78%	0.779	S	S	*	*				164.5	149.4	111.4	-84.1	-59.6	-89.1	0	0	113.3
493	S	39.5	Very low	31.1	Very low	104 Å²	104	135.4 Å²	135.4	73%	0.727	78%	0.779	S	S	*	*			trans	-119.1	-173.9	-179.8	-54.1	0	0	0	0	108.6
494	P	49.4	Very low	31.8	Very low	95 Å²	95	134.6 Å²	134.6	62%	0.617	78%	0.781	S	S	*	*			cis	-153.2	177.7	17.2	45.6	-24.4	0	0	0	120.5
495	Q	28.5	Very low	31.7	Very low	176 Å²	176	133.8 Å²	133.8	82%	0.822	78%	0.782	S	S	*	*			trans	67	153.4	140.3	-80.3	160	30.9	0	0	121
496	C	26.5	Very low	31.7	Very low	125 Å²	125	133.9 Å²	133.9	85%	0.845	78%	0.782	S	S	*	*			cis	-162.6	178.8	-24.8	-130.7	0	0	0	0	111.7
497	A	25.3	Very low	31.7	Very low	84 Å²	84	128.9 Å²	128.9	69%	0.694	77%	0.773	S	S	*	*			trans	-80	172.5	178.7	0	0	0	0	0	114.7
498	P	37.7	Very low	31.7	Very low	122 Å²	122	126.2 Å²	126.2	79%	0.792	77%	0.774	S	S	*	*				-128	165.5	88.9	30.3	-15.8	0	0	0	113.2
499	K	26.9	Very low	31.7	Very low	209 Å²	209	131.5 Å²	131.5	91%	0.909	78%	0.778	S	S	*	*			cis	80.5	142.7	36.6	-100.5	-173.1	178.1	-175.1	0	115.4
500	A	30.6	Very low	31.8	Very low	102 Å²	102	131.7 Å²	131.7	84%	0.843	78%	0.778	S	S	*	*			trans	-118.5	161.9	-168.4	0	0	0	0	0	113.3
501	S	25	Very low	31.4	Very low	116 Å²	116	130.4 Å²	130.4	81%	0.811	78%	0.775	S	S	*	*			trans	-168.5	133.4	166.5	55.5	0	0	0	0	115.1
502	A	27.8	Very low	31	Very low	98 Å²	98	130.8 Å²	130.8	81%	0.81	78%	0.778	S	S	*	*			trans	62.4	128.1	133.6	0	0	0	0	0	123.9
503	E	29.9	Very low	30.9	Very low	164 Å²	164	128.7 Å²	128.7	77%	0.766	78%	0.778	S	S	*	*			trans	-34.9	152.4	136	-83.8	-71.7	155.7	0	0	114.1	D505	E503-D505 PolarHBondContact OE2-N 3.19Å; E503-D505 VanDerWaalsContact OE2-N 3.1Å
504	P	41.4	Very low	30.6	Very low	119 Å²	119	135 Å²	135	77%	0.773	79%	0.786	S	S	*	*				-151.7	137.6	71.4	38.1	-17	0	0	0	119.9
505	D	28.4	Very low	30	Very low	135 Å²	135	136.7 Å²	136.7	72%	0.722	80%	0.797	S	S	*	*				69.9	157.6	118.2	-151.4	15.3	0	0	0	123.2	E503	E503-D505 PolarHBondContact OE2-N 3.19Å; E503-D505 VanDerWaalsContact OE2-N 3.1Å
506	L	27.5	Very low	29.8	Very low	130 Å²	130	131.7 Å²	131.7	68%	0.681	79%	0.793	S	S	*	*			trans	83.4	109.6	164.9	-113.4	74.3	0	0	0	123.3
507	D	28.7	Very low	29.8	Very low	133 Å²	133	131.5 Å²	131.5	71%	0.711	79%	0.793	S	S	*	*			trans	55	109.2	138.3	-71.8	-16.3	0	0	0	123.6
508	A	28.2	Very low	29.9	Very low	106 Å²	106	131.8 Å²	131.8	88%	0.876	80%	0.795	S	S	*	*			trans	-146.9	95.2	150.2	0	0	0	0	0	112.7
509	F	27.6	Very low	29.3	Very low	178 Å²	178	131.3 Å²	131.3	78%	0.781	79%	0.794	S	S	*	*			trans	-44	153.3	176.8	-102	-104.3	0	0	0	118.9
510	L	28.7	Very low	29.2	Very low	164 Å²	164	127.7 Å²	127.7	86%	0.859	79%	0.789	S	S	*	*			trans	90	138.9	152.9	-65.2	167.1	0	0	0	122.9
511	S	25.5	Very low	29	Very low	107 Å²	107	129.9 Å²	129.9	75%	0.748	79%	0.792	S	S	*	*			trans	-76.2	-175.8	162.8	-30.5	0	0	0	0	112
512	P	42.9	Very low	29.3	Very low	110 Å²	110	135.5 Å²	135.5	71%	0.714	80%	0.796	S	S	*	*			cis	-138.6	178.2	-3.2	42.8	-25.3	0	0	0	116.4
513	C	22.3	Very low	29.3	Very low	125 Å²	125	136 Å²	136	85%	0.845	79%	0.789	S	S	*	*			trans	64	141.6	146.9	-73.4	0	0	0	0	123.9
514	R	33.8	Very low	29.4	Very low	237 Å²	237	140 Å²	140	89%	0.894	80%	0.797	S	S	*	*			trans	-48.8	159.6	153.4	-71.5	176.8	176	-179.3	-1.5	111.8
515	P	36.4	Very low	29	Very low	131 Å²	131	141.2 Å²	141.2	85%	0.851	80%	0.797	S	S	*	*			cis	-151.6	-174.3	40.1	43.5	-23.4	0	0	0	117.9
516	G	24.4	Very low	29.5	Very low	70 Å²	70	140.4 Å²	140.4	72%	0.722	80%	0.797	S	S	*	*			trans	126.9	90.1	138.4	0	0	0	0	0	120.1
517	S	27.2	Very low	30	Very low	122 Å²	122	140.3 Å²	140.3	85%	0.853	80%	0.804	S	S	*	*			trans	59.9	120.1	134.8	-142.8	0	0	0	0	123.4
518	A	26.5	Very low	30.3	Very low	90 Å²	90	142.4 Å²	142.4	74%	0.744	81%	0.811	S	S	*	*			trans	77.7	117.9	131.6	0	0	0	0	0	123.4
519	C	25.8	Very low	30.8	Very low	112 Å²	112	142.2 Å²	142.2	76%	0.757	80%	0.804	S	S	*	*			trans	73.8	106	132.1	-154.6	0	0	0	0	120.1
520	T	25.5	Very low	31.5	Very low	133 Å²	133	139.4 Å²	139.4	82%	0.816	80%	0.803	S	S	*	*				-171.8	122.2	98	21.3	0	0	0	0	112.1
521	T	26.4	Very low	31.9	Very low	148 Å²	148	136.2 Å²	136.2	91%	0.908	80%	0.801	S	S	*	*			trans	-134.1	125.3	164.3	8.2	0	0	0	0	108.4
522	R	29.7	Very low	32.5	Very low	233 Å²	233	134 Å²	134	88%	0.879	79%	0.789	S	S	*	*			trans	-116.8	114.8	173.4	-98	-169.4	176.3	-175	-0.6	111
523	T	28.2	Very low	32.7	Very low	108 Å²	108	133.9 Å²	133.9	66%	0.663	79%	0.788	S	S	*	*			trans	53.4	111.8	136.1	59.1	0	0	0	0	118.8
524	R	31.8	Very low	34	Very low	248 Å²	248	134.6 Å²	134.6	94%	0.936	78%	0.784	S	S	*	*				-131.9	136.4	127.3	-112.4	179.5	177.2	151.4	0.9	108.7
525	D	32.8	Very low	35.4	Very low	146 Å²	146	129.8 Å²	129.8	78%	0.781	78%	0.776	S	S	*	*			trans	-87.9	138.9	-160.1	-48.1	-86.4	0	0	0	112.4
526	V	40.3	Very low	37	Very low	118 Å²	118	127.5 Å²	127.5	72%	0.715	76%	0.756	S	S	*	*			trans	-129.6	138.7	170.3	179.5	0	0	0	0	106.8	M528	V526-M528 PolarHBondContact O-N 3.09Å
527	P	38.3	Very low	39.9	Very low	128 Å²	128	128.8 Å²	128.8	83%	0.831	74%	0.743	S	S	*	*			trans	-64.7	101	-176.4	-22.5	34.6	0	0	0	112.6	S529	P527-S529 PolarHBondContact O-N 3.3Å; P527-S529 VanDerWaalsContact O-N 3.09Å
528	M	34	Very low	42.8	Very low	176 Å²	176	127.8 Å²	127.8	87%	0.867	73%	0.728	S	S	*	*			trans	-80.1	82	174.2	-74.6	-80.8	-75.1	0	0	110.6	V526	V526-M528 PolarHBondContact O-N 3.09Å
529	S	37.9	Very low	45.8	Very low	103 Å²	103	124.1 Å²	124.1	72%	0.72	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-75	136.6	140.6	-68.9	0	0	0	0	107.2	P527 A531	P527-S529 PolarHBondContact O-N 3.3Å; P527-S529 VanDerWaalsContact O-N 3.09Å; S529-A531 PolarHBondContact O-N 3.13Å
530	P	43.5	Very low	48.8	Very low	118 Å²	118	122.7 Å²	122.7	77%	0.766	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-60.7	131	164.3	28	-32.2	0	0	0	107.6	A532	P530-A532 PolarHBondContact O-N 3.41Å
531	A	36.3	Very low	51.8	Low	97 Å²	97	119 Å²	119	80%	0.802	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-58	131.8	159.1	0	0	0	0	0	107.1	S529	S529-A531 PolarHBondContact O-N 3.13Å
532	A	38.3	Very low	54.9	Low	62 Å²	62	112.3 Å²	112.3	51%	0.512	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-57.5	160.8	161.7	0	0	0	0	0	108.7	P530 D534	P530-A532 PolarHBondContact O-N 3.41Å; A532-D534 PolarHBondContact O-N 2.86Å
533	P	46.4	Very low	57.8	Low	107 Å²	107	103.9 Å²	103.9	70%	0.695	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-50.4	142.1	154.1	27.8	-35.5	0	0	0	108.3	D535	P533-D535 PolarHBondContact O-N 2.95Å
534	D	51	Low	60.8	Low	139 Å²	139	100.9 Å²	100.9	74%	0.743	57%	0.57	S	S	*	*			trans	-58.7	103	176.7	-65.5	-66	0	0	0	108.7	A532 L536	A532-D534 PolarHBondContact O-N 2.86Å; D534-L536 PolarHBondContact O-N 3.24Å
535	D	63.2	Low	63.5	Low	137 Å²	137	93.1 Å²	93.1	73%	0.733	55%	0.552	S	S	*	*			trans	-64.1	104.4	-169.1	-92.2	-37.9	0	0	0	109	P533 Q537	P533-D535 PolarHBondContact O-N 2.95Å; D535-Q537 PolarHBondContact O-N 2.89Å
536	L	69.6	Low	66.4	Low	83 Å²	83	91.7 Å²	91.7	44%	0.435	54%	0.544	S	S	.	.			trans	-44.9	108.6	-177.5	-76.4	172.2	0	0	0	110.2	D534 L538 C757	D534-L536 PolarHBondContact O-N 3.24Å; L536-L538 WeakPolarHBondContact O-CG 3.47Å; L536-L538 PolarHBondContact O-N 2.81Å; L536-C757 HydrophobicContact CD2-CB 4.38Å
537	Q	84.5	Confident	68.9	Low	96 Å²	96	89.7 Å²	89.7	45%	0.449	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	99.1	-169	-167.6	172	28.7	0	0	109.7	D535 V539 C757 T758 A759	D535-Q537 PolarHBondContact O-N 2.89Å; Q537-V539 PolarHBondContact O-N 3.17Å; Q537-C757 PolarHBondContact N-O 3.16Å; Q537-T758 WeakPolarHBondContact O-CA 3.44Å; Q537-A759 PolarHBondContact O-N 3.17Å
538	L	89.1	Confident	71.5	Confident	101 Å²	101	85 Å²	85	53%	0.529	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	111.2	-176.8	-60.2	-173.5	0	0	0	111	L536 A759 T761 P779	L536-L538 WeakPolarHBondContact O-CG 3.47Å; L536-L538 PolarHBondContact O-N 2.81Å; L538-A759 WeakPolarHBondContact CA-O 3.48Å; L538-A759 HydrophobicContact CD2-CB 4.3Å; L538-T761 HydrophobicContact CB-CG2 4.47Å; L538-T761 HydrophobicContact CD1-CG2 4.38Å; L538-T761 HydrophobicContact CD2-CG2 4.12Å; L538-P779 HydrophobicContact CD2-CB 3.8Å; L538-P779 HydrophobicContact CD2-CG 3.7Å
539	V	88.9	Confident	74.4	Confident	13 Å²	13	80.1 Å²	80.1	8%	0.079	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	134.5	164.8	170	0	0	0	0	108.2	Q537 F754 T758 A759 F760 T761	Q537-V539 PolarHBondContact O-N 3.17Å; V539-F754 HydrophobicContact CG1-CE1 4.28Å; V539-F754 HydrophobicContact CG2-CD1 3.96Å; V539-F754 HydrophobicContact CG2-CE1 4.07Å; V539-T758 HydrophobicContact CB-CG2 4.39Å; V539-T758 HydrophobicContact CG2-CG2 3.79Å; V539-A759 PolarHBondContact N-O 3.04Å; V539-F760 HydrophobicContact CB-CD1 3.72Å; V539-F760 HydrophobicContact CB-CE1 3.97Å; V539-F760 HydrophobicContact CG1-CD1 3.78Å; V539-F760 HydrophobicContact CG1-CE1 4.01Å; V539-F760 HydrophobicContact CG2-CE1 4.44Å; V539-F760 CarbonylContact O-C 3.45Å; V539-F760 WeakPolarHBondContact O-CA 3.09Å; V539-T761 PolarHBondContact O-N 3.35Å; V539-T761 VanDerWaalsContact O-N 3.13Å; V539-T761 PolarHBondContact O-OG1 2.89Å
540	S	88.3	Confident	77.1	Confident	83 Å²	83	79.4 Å²	79.4	58%	0.58	46%	0.46	S	S	*	.	S	Bend	trans	-64	-67.5	179.3	-47.8	0	0	0	0	110.9	T761 A762	S540-T761 WeakPolarHBondContact CA-OG1 3.48Å; S540-T761 CarbonylContact O-C 3.56Å; S540-T761 PolarHBondContact O-N 3.26Å; S540-T761 PolarHBondContact O-OG1 3.07Å; S540-A762 WeakPolarHBondContact O-CA 3.46Å; S540-A762 VanDerWaalsContact O-CB 3.26Å; S540-A762 WeakPolarHBondContact O-CB 3.49Å; S540-A762 PolarHBondContact O-N 2.68Å
541	D	90.3	Very high	79.5	Confident	56 Å²	56	74.1 Å²	74.1	30%	0.299	43%	0.425	S	S	.	.			trans	-133.8	121.8	-175.6	-167.3	-22.2	0	0	0	109.5	W543 D544 R547 A762	D541-W543 VanDerWaalsContact C-N 3.34Å; D541-W543 PolarHBondContact OD1-N 3.16Å; D541-D544 HydrophobicContact CB-CB 4.23Å; D541-R547 WeakPolarHBondContact O-CD 3.48Å; D541-R547 PolarHBondContact O-NE 2.89Å; D541-A762 HydrophobicContact CB-CB 3.91Å
542	P	91.4	Very high	82.4	Confident	6 Å²	6	70.7 Å²	70.7	4%	0.039	39%	0.393	C	S	.	.	S	Bend	trans	-76.9	-18.7	175.2	29.9	-31.8	0	0	0	113.2	I749 F760 W780	P542-I749 HydrophobicContact CB-CD1 3.8Å; P542-I749 HydrophobicContact CB-CG1 4.11Å; P542-I749 HydrophobicContact CB-CG2 4.22Å; P542-I749 HydrophobicContact CG-CD1 3.6Å; P542-I749 HydrophobicContact CG-CG1 4.33Å; P542-F760 HydrophobicContact CB-CD1 3.74Å; P542-F760 HydrophobicContact CB-CE1 3.77Å; P542-F760 HydrophobicContact CB-CG 4.26Å; P542-F760 HydrophobicContact CB-CZ 4.28Å; P542-F760 HydrophobicContact CG-CB 4.35Å; P542-F760 HydrophobicContact CG-CD1 3.85Å; P542-F760 HydrophobicContact CG-CD2 4.41Å; P542-F760 HydrophobicContact CG-CE1 4.34Å; P542-F760 HydrophobicContact CG-CG 3.92Å; P542-W780 HydrophobicContact CG-CH2 3.89Å; P542-W780 HydrophobicContact CG-CZ2 4.39Å
543	W	90.5	Very high	85.1	Confident	56 Å²	56	71.9 Å²	71.9	21%	0.212	40%	0.397	C	S	.	.	S	Bend	trans	-97.8	5.7	-177.8	-51.1	-66.9	0	0	0	113.6	D541 A712 Q747 I749 A762 M774 W780	D541-W543 VanDerWaalsContact C-N 3.34Å; D541-W543 PolarHBondContact OD1-N 3.16Å; W543-A712 HydrophobicContact CZ2-CB 3.88Å; W543-Q747 PolarHBondContact NE1-O 2.9Å; W543-I749 HydrophobicContact CZ2-CD1 4.19Å; W543-A762 HydrophobicContact CZ3-CB 4.36Å; W543-M774 HydrophobicContact CH2-CE 4.18Å; W543-W780 AromaticContact CH2-CH2 3.29Å; W543-W780 HydrophobicContact CH2-CH2 3.29Å; W543-W780 AromaticContact CH2-CZ2 3.58Å; W543-W780 HydrophobicContact CH2-CZ2 3.58Å; W543-W780 HydrophobicContact CH2-CZ3 4.35Å; W543-W780 AromaticContact CZ2-CH2 3.68Å; W543-W780 HydrophobicContact CZ2-CH2 3.68Å; W543-W780 HydrophobicContact CZ2-CZ2 4.41Å; W543-W780 AromaticContact CZ3-CH2 3.99Å; W543-W780 HydrophobicContact CZ3-CH2 3.99Å; W543-W780 AromaticContact CZ3-CZ2 3.91Å; W543-W780 HydrophobicContact CZ3-CZ2 3.91Å
544	D	90.8	Very high	87.3	Confident	46 Å²	46	73.3 Å²	73.3	25%	0.246	39%	0.389	C	S	.	.			trans	-58.6	128	176.4	177	83.9	0	0	0	111.1	D541 D546 R547 I548	D541-D544 HydrophobicContact CB-CB 4.23Å; D544-D546 VanDerWaalsContact C-N 3.34Å; D544-D546 PolarHBondContact O-N 2.74Å; D544-D546 PolarHBondContact OD2-N 3.09Å; D544-R547 HydrophobicContact CB-CB 3.97Å; D544-R547 WeakPolarHBondContact O-CB 3.36Å; D544-R547 PolarHBondContact O-N 3.16Å; D544-R547 PolarHBondContact OD2-N 3.35Å; D544-I548 WeakPolarHBondContact O-CG1 3.37Å; D544-I548 PolarHBondContact O-N 3.41Å
545	P	89.1	Confident	89.4	Confident	85 Å²	85	68 Å²	68	55%	0.552	36%	0.361	S	S	*	.	H	α-helix	trans	-70.7	-28.8	-170.3	27.8	-35.6	0	0	0	113.3	S549	P545-S549 VanDerWaalsContact O-CB 3.32Å; P545-S549 WeakPolarHBondContact O-CB 3.33Å; P545-S549 PolarHBondContact O-N 3.05Å; P545-S549 PolarHBondContact O-OG 3.47Å
546	D	92.7	Very high	90.7	Very high	116 Å²	116	69.8 Å²	69.8	62%	0.62	36%	0.364	S	S	*	.	H	α-helix	trans	-73	-41	175.3	-68.8	-30.2	0	0	0	109.8	D544 S549 E550	D544-D546 VanDerWaalsContact C-N 3.34Å; D544-D546 PolarHBondContact O-N 2.74Å; D544-D546 PolarHBondContact OD2-N 3.09Å; D546-S549 PolarHBondContact O-N 3.23Å; D546-E550 WeakPolarHBondContact O-CB 3.38Å; D546-E550 PolarHBondContact O-N 2.84Å
547	R	92.5	Very high	91.8	Very high	76 Å²	76	70.5 Å²	70.5	29%	0.287	37%	0.374	S	S	.	.	H	α-helix	trans	-60.6	-46.9	171.4	-177	-179.4	-63.3	-81.2	-8.8	112.5	D541 D544 S549 E550 L551	D541-R547 WeakPolarHBondContact O-CD 3.48Å; D541-R547 PolarHBondContact O-NE 2.89Å; D544-R547 HydrophobicContact CB-CB 3.97Å; D544-R547 WeakPolarHBondContact O-CB 3.36Å; D544-R547 PolarHBondContact O-N 3.16Å; D544-R547 PolarHBondContact OD2-N 3.35Å; R547-S549 VanDerWaalsContact C-N 3.29Å; R547-S549 PolarHBondContact O-N 2.72Å; R547-E550 PolarHBondContact O-N 2.89Å; R547-L551 HydrophobicContact CG-CD1 4.27Å; R547-L551 HydrophobicContact CG-CG 4.44Å; R547-L551 WeakPolarHBondContact O-CB 3.24Å; R547-L551 VanDerWaalsContact O-CG 3.32Å; R547-L551 WeakPolarHBondContact O-CG 3.5Å; R547-L551 PolarHBondContact O-N 3.36Å
548	I	93.8	Very high	92.3	Very high	30 Å²	30	69.2 Å²	69.2	15%	0.154	37%	0.373	C	S	.	.	H	α-helix	trans	-60.4	-42.4	176.2	-72.6	173.3	0	0	0	110.3	D544 L551 L552 W625	D544-I548 WeakPolarHBondContact O-CG1 3.37Å; D544-I548 PolarHBondContact O-N 3.41Å; I548-L551 PolarHBondContact O-N 2.98Å; I548-L552 HydrophobicContact CG2-CD1 3.97Å; I548-L552 HydrophobicContact CG2-CG 4.44Å; I548-L552 WeakPolarHBondContact O-CB 3.26Å; I548-L552 WeakPolarHBondContact O-CG 3.38Å; I548-L552 PolarHBondContact O-N 2.68Å; I548-W625 HydrophobicContact CG2-CB 3.99Å; I548-W625 HydrophobicContact CG2-CD2 4.15Å; I548-W625 HydrophobicContact CG2-CE3 3.95Å; I548-W625 HydrophobicContact CG2-CG 4.21Å
549	S	93.6	Very high	92.6	Very high	72 Å²	72	65.4 Å²	65.4	50%	0.503	35%	0.353	S	S	.	.	H	α-helix	trans	-63.7	-41.2	176.5	-59.9	0	0	0	0	112.1	P545 D546 R547 S553	P545-S549 VanDerWaalsContact O-CB 3.32Å; P545-S549 WeakPolarHBondContact O-CB 3.33Å; P545-S549 PolarHBondContact O-N 3.05Å; P545-S549 PolarHBondContact O-OG 3.47Å; D546-S549 PolarHBondContact O-N 3.23Å; R547-S549 VanDerWaalsContact C-N 3.29Å; R547-S549 PolarHBondContact O-N 2.72Å; S549-S553 WeakPolarHBondContact O-CB 3.4Å; S549-S553 PolarHBondContact O-N 2.92Å
550	E	94.9	Very high	92.8	Very high	89 Å²	89	68.6 Å²	68.6	42%	0.416	37%	0.373	S	S	.	.	H	α-helix	trans	-62.5	-49.1	174.5	-168.6	-170.1	-168.5	0	0	111.3	D546 R547 L552 S553 R554	D546-E550 WeakPolarHBondContact O-CB 3.38Å; D546-E550 PolarHBondContact O-N 2.84Å; R547-E550 PolarHBondContact O-N 2.89Å; E550-L552 PolarHBondContact O-N 3.09Å; E550-S553 WeakPolarHBondContact O-CB 3.46Å; E550-S553 PolarHBondContact O-N 3.06Å; E550-S553 VanDerWaalsContact O-N 3.1Å; E550-S553 PolarHBondContact O-OG 2.91Å; E550-R554 WeakPolarHBondContact O-CG 3.27Å; E550-R554 PolarHBondContact O-N 3.36Å; E550-R554 IonicContact OE1-CZ 3.65Å; E550-R554 IonicContact OE1-NE 3.9Å; E550-R554 IonicContact OE1-NH2 3.62Å; E550-R554 PolarHBondContact OE1-NH2 3.27Å; E550-R554 IonicContact OE2-NH2 2.67Å; E550-R554 PolarHBondContact OE2-NH2 2.75Å
551	L	95.5	Very high	93.1	Very high	7 Å²	7	67.9 Å²	67.9	4%	0.037	37%	0.368	C	S	.	.	H	α-helix	trans	-58.9	-46.6	178.5	-72.4	-179.9	0	0	0	111.9	R547 I548 S553 R554 W625 L753 F754	R547-L551 HydrophobicContact CG-CD1 4.27Å; R547-L551 HydrophobicContact CG-CG 4.44Å; R547-L551 WeakPolarHBondContact O-CB 3.24Å; R547-L551 VanDerWaalsContact O-CG 3.32Å; R547-L551 WeakPolarHBondContact O-CG 3.5Å; R547-L551 PolarHBondContact O-N 3.36Å; I548-L551 PolarHBondContact O-N 2.98Å; L551-S553 VanDerWaalsContact C-N 3.29Å; L551-S553 PolarHBondContact O-N 3.3Å; L551-R554 PolarHBondContact O-N 3.24Å; L551-W625 HydrophobicContact CB-CZ3 4.24Å; L551-W625 HydrophobicContact CD1-CH2 4.08Å; L551-W625 HydrophobicContact CD1-CZ3 4.35Å; L551-L753 HydrophobicContact CB-CD1 4.21Å; L551-L753 HydrophobicContact CD1-CD1 4.21Å; L551-L753 HydrophobicContact CD2-CB 4.16Å; L551-L753 HydrophobicContact CD2-CD1 4.37Å; L551-L753 HydrophobicContact CG-CD1 4.5Å; L551-F754 HydrophobicContact CD1-CE2 4.4Å; L551-F754 HydrophobicContact CD1-CZ 3.96Å
552	L	95.4	Very high	93.4	Very high	25 Å²	25	68.3 Å²	68.3	13%	0.131	37%	0.368	C	S	.	.	H	α-helix	trans	-64.4	-31.9	175.4	-69.6	176.1	0	0	0	112.6	I548 E550 R554 L555 L559 P624 W625 Y628	I548-L552 HydrophobicContact CG2-CD1 3.97Å; I548-L552 HydrophobicContact CG2-CG 4.44Å; I548-L552 WeakPolarHBondContact O-CB 3.26Å; I548-L552 WeakPolarHBondContact O-CG 3.38Å; I548-L552 PolarHBondContact O-N 2.68Å; E550-L552 PolarHBondContact O-N 3.09Å; L552-R554 VanDerWaalsContact C-N 3.28Å; L552-R554 PolarHBondContact O-N 2.8Å; L552-L555 HydrophobicContact CD2-CD1 3.72Å; L552-L555 WeakPolarHBondContact O-CB 3.46Å; L552-L555 WeakPolarHBondContact O-CG 3.47Å; L552-L555 PolarHBondContact O-N 2.74Å; L552-L559 HydrophobicContact CD2-CD2 4.34Å; L552-P624 HydrophobicContact CD1-CB 4.17Å; L552-P624 HydrophobicContact CD1-CG 3.75Å; L552-W625 HydrophobicContact CD1-CE3 4.48Å; L552-W625 HydrophobicContact CD2-CE3 3.92Å; L552-W625 HydrophobicContact CD2-CZ3 4.37Å; L552-W625 HydrophobicContact CG-CE3 4.06Å; L552-Y628 HydrophobicContact CD2-CD1 4.23Å; L552-Y628 HydrophobicContact CD2-CD2 4.4Å; L552-Y628 HydrophobicContact CD2-CG 3.89Å
553	S	95	Very high	93.6	Very high	87 Å²	87	73 Å²	73	61%	0.608	40%	0.398	S	S	*	.	H	α-helix	trans	-70.6	-21.7	176.4	80.6	0	0	0	0	113.9	S549 E550 L551 L555	S549-S553 WeakPolarHBondContact O-CB 3.4Å; S549-S553 PolarHBondContact O-N 2.92Å; E550-S553 WeakPolarHBondContact O-CB 3.46Å; E550-S553 PolarHBondContact O-N 3.06Å; E550-S553 VanDerWaalsContact O-N 3.1Å; E550-S553 PolarHBondContact O-OG 2.91Å; L551-S553 VanDerWaalsContact C-N 3.29Å; L551-S553 PolarHBondContact O-N 3.3Å; S553-L555 VanDerWaalsContact C-N 3.33Å
554	R	94.5	Very high	93.8	Very high	137 Å²	137	72.4 Å²	72.4	52%	0.517	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.1	177.4	-66	166.8	-180	-165.7	2	113.1	E550 L551 L552 H556	E550-R554 WeakPolarHBondContact O-CG 3.27Å; E550-R554 PolarHBondContact O-N 3.36Å; E550-R554 IonicContact OE1-CZ 3.65Å; E550-R554 IonicContact OE1-NE 3.9Å; E550-R554 IonicContact OE1-NH2 3.62Å; E550-R554 PolarHBondContact OE1-NH2 3.27Å; E550-R554 IonicContact OE2-NH2 2.67Å; E550-R554 PolarHBondContact OE2-NH2 2.75Å; L551-R554 PolarHBondContact O-N 3.24Å; L552-R554 VanDerWaalsContact C-N 3.28Å; L552-R554 PolarHBondContact O-N 2.8Å; R554-H556 PolarHBondContact O-N 3.23Å; R554-H556 PolarHBondContact O-ND1 3.04Å
555	L	93.3	Very high	94.1	Very high	28 Å²	28	70.7 Å²	70.7	15%	0.147	39%	0.394	C	S	.	.			trans	-69.3	128.5	-179.4	-62.3	178.8	0	0	0	111.9	L552 S553 P557 P558 L559 Y628	L552-L555 HydrophobicContact CD2-CD1 3.72Å; L552-L555 WeakPolarHBondContact O-CB 3.46Å; L552-L555 WeakPolarHBondContact O-CG 3.47Å; L552-L555 PolarHBondContact O-N 2.74Å; S553-L555 VanDerWaalsContact C-N 3.33Å; L555-P557 CarbonylContact C-O 3.58Å; L555-P557 CarbonylContact O-C 3.55Å; L555-P557 VanDerWaalsContact O-C 3.29Å; L555-P558 WeakPolarHBondContact O-CA 3.41Å; L555-L559 HydrophobicContact CD1-CB 4.24Å; L555-Y628 HydrophobicContact CD1-CD2 3.57Å; L555-Y628 HydrophobicContact CD1-CE2 3.64Å; L555-Y628 HydrophobicContact CD1-CG 4.33Å; L555-Y628 HydrophobicContact CD2-CD2 4.34Å; L555-Y628 HydrophobicContact CD2-CE2 3.53Å; L555-Y628 HydrophobicContact CG-CE2 4.25Å
556	H	91.3	Very high	94.4	Very high	174 Å²	174	71.7 Å²	71.7	81%	0.806	39%	0.387	S	S	*	.	S	Bend	trans	-127.1	109.2	178.9	-73.2	77.5	0	0	0	109.8	R554	R554-H556 PolarHBondContact O-N 3.23Å; R554-H556 PolarHBondContact O-ND1 3.04Å
557	P	92.5	Very high	94.5	Very high	98 Å²	98	69.7 Å²	69.7	64%	0.636	38%	0.383	S	S	*	.	S	Bend	cis	-72.3	162.4	-3.4	36.9	-39.1	0	0	0	112	L555 S561	L555-P557 CarbonylContact C-O 3.58Å; L555-P557 CarbonylContact O-C 3.55Å; L555-P557 VanDerWaalsContact O-C 3.29Å; P557-S561 WeakPolarHBondContact CB-OG 3.38Å
558	P	94.8	Very high	94.5	Very high	68 Å²	68	69.5 Å²	69.5	44%	0.442	38%	0.382	S	S	.	.			trans	-67.5	153.2	-177.2	28	-36.3	0	0	0	112	L555 T560 S561	L555-P558 WeakPolarHBondContact O-CA 3.41Å; P558-T560 PolarHBondContact O-N 3.25Å; P558-S561 WeakPolarHBondContact O-CB 3.24Å; P558-S561 PolarHBondContact O-N 3.5Å; P558-S561 PolarHBondContact O-OG 2.8Å
559	L	94.9	Very high	94.5	Very high	21 Å²	21	73.8 Å²	73.8	11%	0.11	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-53	-35	-175.5	-172.2	68.6	0	0	0	113.9	L552 L555 S561 H562 C565 P624 F627 Y628	L552-L559 HydrophobicContact CD2-CD2 4.34Å; L555-L559 HydrophobicContact CD1-CB 4.24Å; L559-S561 PolarHBondContact O-N 3.03Å; L559-H562 WeakPolarHBondContact O-CB 3.38Å; L559-H562 PolarHBondContact O-N 2.83Å; L559-C565 WeakPolarHBondContact O-CB 3.49Å; L559-P624 HydrophobicContact CD2-CB 3.98Å; L559-P624 WeakPolarHBondContact CD2-O 3.47Å; L559-F627 HydrophobicContact CD1-CD1 3.97Å; L559-F627 HydrophobicContact CD1-CE1 4.31Å; L559-F627 HydrophobicContact CD2-CD1 4.37Å; L559-F627 HydrophobicContact CG-CD1 4.26Å; L559-Y628 HydrophobicContact CD1-CD2 4.31Å
560	T	93.9	Very high	94.5	Very high	81 Å²	81	73.2 Å²	73.2	50%	0.497	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-70.6	-4.4	178	51.1	0	0	0	0	114.8	P558 L653	P558-T560 PolarHBondContact O-N 3.25Å; T560-L653 HydrophobicContact CG2-CD1 4.5Å
561	S	95.3	Very high	94.4	Very high	67 Å²	67	71.6 Å²	71.6	47%	0.469	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-89.5	-11.8	169.2	70.9	0	0	0	0	113.5	P557 P558 L559	P557-S561 WeakPolarHBondContact CB-OG 3.38Å; P558-S561 WeakPolarHBondContact O-CB 3.24Å; P558-S561 PolarHBondContact O-N 3.5Å; P558-S561 PolarHBondContact O-OG 2.8Å; L559-S561 PolarHBondContact O-N 3.03Å
562	H	96.2	Very high	94.3	Very high	65 Å²	65	71.8 Å²	71.8	30%	0.301	41%	0.41	S	S	.	.	S	Bend	trans	-64.3	132.2	177.3	-174.3	-89.9	0	0	0	109.7	L559 C564 C565 F627	L559-H562 WeakPolarHBondContact O-CB 3.38Å; L559-H562 PolarHBondContact O-N 2.83Å; H562-C564 PolarHBondContact ND1-N 3.15Å; H562-C564 PolarHBondContact O-N 3.38Å; H562-C565 HydrophobicContact CB-CB 4.1Å; H562-C565 WeakPolarHBondContact O-CB 3.27Å; H562-C565 PolarHBondContact O-N 3.12Å; H562-F627 HydrophobicContact CB-CE1 4.43Å; H562-F627 AromaticContact CE1-CZ 3.82Å; H562-F627 AromaticContact ND1-CE1 3.7Å; H562-F627 AromaticContact ND1-CZ 3.48Å; H562-F627 WeakPolarHBondContact ND1-CZ 3.46Å
563	P	95.3	Very high	94.1	Very high	104 Å²	104	73.1 Å²	73.1	68%	0.675	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.9	-169.8	23.2	-35	0	0	0	114.2	Y566	P563-Y566 PolarHBondContact O-OH 3.01Å
564	C	95	Very high	93.7	Very high	44 Å²	44	73.4 Å²	73.4	30%	0.297	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	10	175.3	-52.1	0	0	0	0	114.4	H562 F627 R649 S650 A651	H562-C564 PolarHBondContact ND1-N 3.15Å; H562-C564 PolarHBondContact O-N 3.38Å; C564-F627 HydrophobicContact CB-CZ 4.22Å; C564-R649 VanDerWaalsContact CB-O 3.24Å; C564-R649 WeakPolarHBondContact CB-O 3.33Å; C564-R649 PolarHBondContact SG-O 3.08Å; C564-S650 CarbonylContact O-C 3.53Å; C564-S650 VanDerWaalsContact O-CA 3.24Å; C564-S650 WeakPolarHBondContact O-CA 3.49Å; C564-S650 VanDerWaalsContact O-CB 3.28Å; C564-S650 WeakPolarHBondContact O-CB 3.43Å; C564-A651 PolarHBondContact O-N 3.08Å
565	C	96.3	Very high	93.4	Very high	10 Å²	10	68.3 Å²	68.3	7%	0.068	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	117.2	175.7	-167.8	0	0	0	0	110.3	L559 H562 F627 A651	L559-C565 WeakPolarHBondContact O-CB 3.49Å; H562-C565 HydrophobicContact CB-CB 4.1Å; H562-C565 WeakPolarHBondContact O-CB 3.27Å; H562-C565 PolarHBondContact O-N 3.12Å; C565-F627 HydrophobicContact CB-CD1 4.44Å; C565-F627 HydrophobicContact CB-CE1 3.9Å; C565-A651 WeakPolarHBondContact CA-O 3.2Å
566	Y	94.9	Very high	92.9	Very high	106 Å²	106	67.5 Å²	67.5	42%	0.416	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130	-176.8	-58.1	-83.2	0	0	0	110.1	P563 A651 H652 L653	P563-Y566 PolarHBondContact O-OH 3.01Å; Y566-A651 PolarHBondContact N-O 3.34Å; Y566-H652 AromaticContact CD2-CE1 3.38Å; Y566-H652 WeakPolarHBondContact CD2-CE1 3.47Å; Y566-H652 AromaticContact CD2-ND1 3.78Å; Y566-H652 AromaticContact CD2-NE2 3.67Å; Y566-H652 AromaticContact CE2-CE1 3.96Å; Y566-H652 AromaticContact CG-CE1 3.93Å; Y566-H652 AromaticContact CG-ND1 3.99Å; Y566-H652 CarbonylContact O-C 3.45Å; Y566-H652 WeakPolarHBondContact O-CA 3.23Å; Y566-L653 PolarHBondContact O-N 3.33Å
567	S	94.7	Very high	92.5	Very high	75 Å²	75	62.7 Å²	62.7	52%	0.524	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.8	176.9	-62.9	0	0	0	0	111.4
568	W	93.6	Very high	91.9	Very high	71 Å²	71	66.9 Å²	66.9	27%	0.269	40%	0.396	S	S	.	.			trans	-121.4	124.6	-171.5	-58.8	89.7	0	0	0	110.6	C570 H652 L653 F654	W568-C570 PolarHBondContact O-N 2.98Å; W568-H652 AromaticContact CE2-ND1 3.91Å; W568-H652 AromaticContact CZ2-ND1 3.84Å; W568-H652 AromaticContact NE1-CG 3.87Å; W568-H652 AromaticContact NE1-ND1 3.44Å; W568-H652 PolarHBondContact NE1-ND1 3.11Å; W568-L653 PolarHBondContact N-O 3.06Å; W568-F654 HydrophobicContact CB-CD1 3.58Å; W568-F654 HydrophobicContact CB-CE1 3.73Å; W568-F654 HydrophobicContact CB-CG 4.18Å; W568-F654 HydrophobicContact CB-CZ 4.43Å; W568-F654 AromaticContact CD1-CE1 3.94Å; W568-F654 AromaticContact CD1-CE2 3.97Å; W568-F654 AromaticContact CD1-CZ 3.77Å; W568-F654 HydrophobicContact CD2-CE1 4.35Å; W568-F654 HydrophobicContact CG-CD1 4.03Å; W568-F654 AromaticContact CG-CE1 3.7Å; W568-F654 HydrophobicContact CG-CE1 3.7Å; W568-F654 AromaticContact CG-CZ 3.97Å; W568-F654 HydrophobicContact CG-CZ 3.97Å
569	P	93.9	Very high	91.6	Very high	120 Å²	120	67.8 Å²	67.8	78%	0.779	39%	0.393	S	S	*	.	S	Bend	trans	-80.1	36.7	-178	35.3	-37.5	0	0	0	112.6
570	C	92.9	Very high	91.2	Very high	60 Å²	60	70.8 Å²	70.8	41%	0.405	41%	0.413	S	S	.	.	S	Bend	trans	-146	171.5	-177.1	59.5	0	0	0	0	110.8	W568 F654 L655	W568-C570 PolarHBondContact O-N 2.98Å; C570-F654 WeakPolarHBondContact O-CB 3.14Å; C570-L655 PolarHBondContact O-N 2.74Å
571	A	94.1	Very high	90.9	Very high	55 Å²	55	67.5 Å²	67.5	46%	0.455	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-76	157.6	173	0	0	0	0	0	112	D656	A571-D656 VanDerWaalsContact CA-OD1 3.23Å; A571-D656 WeakPolarHBondContact CA-OD1 3.48Å; A571-D656 WeakPolarHBondContact CB-OD1 3.47Å
572	V	92.3	Very high	90.3	Very high	11 Å²	11	69.2 Å²	69.2	7%	0.067	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-56	128	172.3	177.3	0	0	0	0	109.2	I575 V618 F654 D656 I659	V572-I575 HydrophobicContact CG1-CD1 3.91Å; V572-V618 HydrophobicContact CG1-CG1 4Å; V572-F654 HydrophobicContact CB-CB 4.49Å; V572-F654 HydrophobicContact CB-CG 4.4Å; V572-F654 HydrophobicContact CG2-CB 3.63Å; V572-F654 HydrophobicContact CG2-CD2 3.81Å; V572-F654 HydrophobicContact CG2-CG 3.78Å; V572-D656 PolarHBondContact N-OD1 2.83Å; V572-I659 HydrophobicContact CG1-CD1 4.21Å; V572-I659 HydrophobicContact CG1-CG1 4.19Å
573	P	91.1	Very high	89.5	Confident	54 Å²	54	66.7 Å²	66.7	35%	0.351	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-61.2	161.9	-179.8	24.9	-34.9	0	0	0	112.9	I575 L581 I659	P573-I575 HydrophobicContact CG-CG1 4.37Å; P573-I575 WeakPolarHBondContact O-CG1 3.41Å; P573-I575 PolarHBondContact O-N 3.3Å; P573-L581 HydrophobicContact CB-CD2 4.49Å; P573-L581 HydrophobicContact CG-CD2 4.25Å; P573-I659 HydrophobicContact CG-CD1 4.4Å
574	S	87.6	Confident	88.5	Confident	92 Å²	92	64.1 Å²	64.1	64%	0.643	39%	0.385	S	S	*	.			trans	-71.9	87.9	175.1	178.9	0	0	0	0	110.9	K579	S574-K579 WeakPolarHBondContact O-CD 3.25Å; S574-K579 PolarHBondContact O-NZ 2.91Å; S574-K579 PolarHBondContact OG-NZ 2.82Å
575	I	88.4	Confident	87.2	Confident	30 Å²	30	68.3 Å²	68.3	15%	0.154	42%	0.415	C	S	.	.			trans	-75.2	147	179	-63	164.1	0	0	0	110.2	V572 P573 L581 V590 F603 L616 V618 I659	V572-I575 HydrophobicContact CG1-CD1 3.91Å; P573-I575 HydrophobicContact CG-CG1 4.37Å; P573-I575 WeakPolarHBondContact O-CG1 3.41Å; P573-I575 PolarHBondContact O-N 3.3Å; I575-L581 HydrophobicContact CD1-CD1 4.31Å; I575-L581 HydrophobicContact CG1-CD1 3.88Å; I575-L581 HydrophobicContact CG1-CD2 3.89Å; I575-L581 HydrophobicContact CG2-CD1 4.46Å; I575-V590 HydrophobicContact CG2-CG1 4.48Å; I575-V590 HydrophobicContact CG2-CG2 4.17Å; I575-F603 HydrophobicContact CB-CZ 4.47Å; I575-F603 HydrophobicContact CG2-CD1 4.3Å; I575-F603 HydrophobicContact CG2-CD2 3.91Å; I575-F603 HydrophobicContact CG2-CE1 3.98Å; I575-F603 HydrophobicContact CG2-CE2 3.57Å; I575-F603 HydrophobicContact CG2-CG 4.27Å; I575-F603 HydrophobicContact CG2-CZ 3.61Å; I575-L616 HydrophobicContact CD1-CD2 4.28Å; I575-V618 HydrophobicContact CD1-CB 4.39Å; I575-V618 HydrophobicContact CD1-CG1 4Å; I575-V618 HydrophobicContact CD1-CG2 3.44Å; I575-V618 VanDerWaalsContact CD1-CG2 3.44Å; I575-V618 HydrophobicContact CG2-CG2 4.41Å; I575-I659 HydrophobicContact CD1-CD1 3.68Å; I575-I659 HydrophobicContact CD1-CG1 4.08Å
576	G	81.1	Confident	86.3	Confident	11 Å²	11	71 Å²	71	11%	0.113	43%	0.433	C	S	.	.			trans	178	161.8	175.4	0	0	0	0	0	111.4	K579 V590	G576-K579 WeakPolarHBondContact O-CB 3.39Å; G576-K579 PolarHBondContact O-N 3.45Å; G576-V590 WeakPolarHBondContact O-CB 3.2Å; G576-V590 WeakPolarHBondContact O-CG1 3.44Å
577	P	83.2	Confident	85.9	Confident	73 Å²	73	68 Å²	68	47%	0.474	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	145.1	-178.6	-26.8	35.7	0	0	0	113.2	K579 V593	P577-K579 PolarHBondContact O-N 3.28Å; P577-K579 VanDerWaalsContact O-N 3.13Å; P577-V593 HydrophobicContact CG-CG2 4.45Å
578	K	81.1	Confident	85.8	Confident	186 Å²	186	64.8 Å²	64.8	81%	0.809	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	1.2	-178.9	-51.6	176.7	-175.5	175.9	0	115.8	V590	K578-V590 WeakPolarHBondContact CA-O 3.49Å; K578-V590 PolarHBondContact N-O 3.48Å
579	K	87.2	Confident	85.7	Confident	87 Å²	87	66 Å²	66	38%	0.378	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-79.4	148.5	169.8	-62.2	-172.9	-175.9	-176.2	0	111.2	S574 G576 P577 V590	S574-K579 WeakPolarHBondContact O-CD 3.25Å; S574-K579 PolarHBondContact O-NZ 2.91Å; S574-K579 PolarHBondContact OG-NZ 2.82Å; G576-K579 WeakPolarHBondContact O-CB 3.39Å; G576-K579 PolarHBondContact O-N 3.45Å; P577-K579 PolarHBondContact O-N 3.28Å; P577-K579 VanDerWaalsContact O-N 3.13Å; K579-V590 PolarHBondContact O-N 2.86Å
580	T	87.9	Confident	85.7	Confident	85 Å²	85	60.3 Å²	60.3	52%	0.521	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.2	167.8	-55.6	0	0	0	0	109.6	L588	T580-L588 CarbonylContact C-O 3.56Å; T580-L588 WeakPolarHBondContact CA-O 3.5Å
581	L	87.4	Confident	85.6	Confident	11 Å²	11	59.2 Å²	59.2	6%	0.058	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	135.6	176.9	-54.9	172.6	0	0	0	109.2	P573 I575 M583 S587 L588 V590 L616	P573-L581 HydrophobicContact CB-CD2 4.49Å; P573-L581 HydrophobicContact CG-CD2 4.25Å; I575-L581 HydrophobicContact CD1-CD1 4.31Å; I575-L581 HydrophobicContact CG1-CD1 3.88Å; I575-L581 HydrophobicContact CG1-CD2 3.89Å; I575-L581 HydrophobicContact CG2-CD1 4.46Å; L581-M583 HydrophobicContact CB-CG 4.49Å; L581-S587 CarbonylContact O-C 3.6Å; L581-S587 WeakPolarHBondContact O-CA 3.44Å; L581-L588 PolarHBondContact N-O 3.32Å; L581-L588 PolarHBondContact O-N 2.7Å; L581-V590 HydrophobicContact CD1-CG2 3.67Å; L581-V590 HydrophobicContact CG-CG2 3.93Å; L581-L616 HydrophobicContact CD1-CD1 3.73Å
582	S	83.3	Confident	85.4	Confident	103 Å²	103	58.5 Å²	58.5	72%	0.72	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.9	168.5	-60.4	0	0	0	0	109.5
583	M	77.9	Confident	85.4	Confident	13 Å²	13	61.1 Å²	61.1	6%	0.064	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	65.7	-176.4	-62.2	-68.5	-88.8	0	0	108.4	L581 S586 L588 H652 I659	L581-M583 HydrophobicContact CB-CG 4.49Å; M583-S586 PolarHBondContact N-O 3.36Å; M583-L588 HydrophobicContact CG-CD1 4.07Å; M583-H652 HydrophobicContact CE-CB 3.83Å; M583-I659 HydrophobicContact CE-CB 4.13Å; M583-I659 HydrophobicContact CE-CD1 4Å; M583-I659 HydrophobicContact CE-CG2 3.89Å; M583-I659 HydrophobicContact SD-CD1 4.27Å
584	G	74.6	Confident	85.2	Confident	50 Å²	50	62.9 Å²	62.9	52%	0.515	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	-122.7	-168.9	0	0	0	0	0	111.5	S586	G584-S586 VanDerWaalsContact C-N 3.33Å
585	S	67.9	Low	85	Confident	132 Å²	132	60 Å²	60	92%	0.923	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-16.7	177	49.6	0	0	0	0	114
586	S	76.9	Confident	84.8	Confident	66 Å²	66	66 Å²	66	46%	0.462	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	147.8	-179	-59.6	0	0	0	0	111.9	M583 G584	M583-S586 PolarHBondContact N-O 3.36Å; G584-S586 VanDerWaalsContact C-N 3.33Å
587	S	87.5	Confident	84.7	Confident	44 Å²	44	67.7 Å²	67.7	31%	0.308	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	143.5	171	76.1	0	0	0	0	110.4	L581 P608	L581-S587 CarbonylContact O-C 3.6Å; L581-S587 WeakPolarHBondContact O-CA 3.44Å; S587-P608 WeakPolarHBondContact O-CD 3.39Å
588	L	91.9	Very high	84.1	Confident	6 Å²	6	66.6 Å²	66.6	3%	0.031	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	119.9	179.7	-65	177.2	0	0	0	109.9	T580 L581 M583 A605 D607 M614 L616 L661	T580-L588 CarbonylContact C-O 3.56Å; T580-L588 WeakPolarHBondContact CA-O 3.5Å; L581-L588 PolarHBondContact N-O 3.32Å; L581-L588 PolarHBondContact O-N 2.7Å; M583-L588 HydrophobicContact CG-CD1 4.07Å; L588-A605 HydrophobicContact CB-CB 4.48Å; L588-D607 HydrophobicContact CD2-CB 4.02Å; L588-M614 HydrophobicContact CD1-SD 4.13Å; L588-M614 HydrophobicContact CD2-CE 3.59Å; L588-M614 HydrophobicContact CD2-SD 3.66Å; L588-L616 HydrophobicContact CD1-CD1 4.28Å; L588-L661 HydrophobicContact CD1-CD1 3.6Å; L588-L661 HydrophobicContact CD1-CD2 3.62Å; L588-L661 HydrophobicContact CD1-CG 4.29Å
589	R	92.5	Very high	83.9	Confident	98 Å²	98	63 Å²	63	37%	0.37	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	122.5	170.4	-175.1	-173.5	66.8	-123	-5.3	108.8	D591 A605 T606 P608	R589-D591 IonicContact CZ-OD1 3.83Å; R589-D591 VanDerWaalsContact CZ-OD1 3.3Å; R589-D591 IonicContact NE-OD1 2.75Å; R589-D591 PolarHBondContact NE-OD1 2.83Å; R589-D591 IonicContact NH2-OD1 3.01Å; R589-D591 PolarHBondContact NH2-OD1 3.47Å; R589-D591 PolarHBondContact O-N 3.34Å; R589-A605 CarbonylContact O-C 3.59Å; R589-A605 VanDerWaalsContact O-CA 3.23Å; R589-A605 WeakPolarHBondContact O-CA 3.45Å; R589-T606 PolarHBondContact N-O 2.9Å; R589-T606 VanDerWaalsContact NH2-CB 3.27Å; R589-T606 PolarHBondContact NH2-OG1 3.05Å; R589-T606 PolarHBondContact O-N 2.89Å; R589-P608 HydrophobicContact CB-CG 4.24Å
590	V	93.8	Very high	84	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	118.2	171.6	-176.6	0	0	0	0	107.7	I575 G576 K578 K579 L581 F603	I575-V590 HydrophobicContact CG2-CG1 4.48Å; I575-V590 HydrophobicContact CG2-CG2 4.17Å; G576-V590 WeakPolarHBondContact O-CB 3.2Å; G576-V590 WeakPolarHBondContact O-CG1 3.44Å; K578-V590 WeakPolarHBondContact CA-O 3.49Å; K578-V590 PolarHBondContact N-O 3.48Å; K579-V590 PolarHBondContact O-N 2.86Å; L581-V590 HydrophobicContact CD1-CG2 3.67Å; L581-V590 HydrophobicContact CG-CG2 3.93Å; V590-F603 HydrophobicContact CG1-CB 3.99Å; V590-F603 HydrophobicContact CG1-CD1 3.56Å; V590-F603 HydrophobicContact CG1-CE1 4.32Å; V590-F603 HydrophobicContact CG1-CG 4Å
591	D	91	Very high	84.3	Confident	36 Å²	36	57.2 Å²	57.2	19%	0.193	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-55.3	-176.4	-57.2	-55.4	0	0	0	111.1	R589 Q604 T606	R589-D591 IonicContact CZ-OD1 3.83Å; R589-D591 VanDerWaalsContact CZ-OD1 3.3Å; R589-D591 IonicContact NE-OD1 2.75Å; R589-D591 PolarHBondContact NE-OD1 2.83Å; R589-D591 IonicContact NH2-OD1 3.01Å; R589-D591 PolarHBondContact NH2-OD1 3.47Å; R589-D591 PolarHBondContact O-N 3.34Å; D591-Q604 HydrophobicContact CB-CB 4.45Å; D591-Q604 HydrophobicContact CB-CG 4.46Å; D591-Q604 PolarHBondContact N-O 3.35Å; D591-Q604 PolarHBondContact OD2-NE2 3.48Å; D591-T606 PolarHBondContact OD1-OG1 2.91Å; D591-T606 WeakPolarHBondContact OD2-CB 3.35Å; D591-T606 PolarHBondContact OD2-N 3.18Å; D591-T606 PolarHBondContact OD2-OG1 3.34Å
592	A	89.9	Confident	84.5	Confident	41 Å²	41	58.7 Å²	58.7	34%	0.339	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	166.1	-174	0	0	0	0	0	112.2	F603 Q604	A592-F603 CarbonylContact O-C 3.51Å; A592-F603 WeakPolarHBondContact O-CA 3.4Å; A592-Q604 PolarHBondContact O-N 3.2Å
593	V	91.2	Very high	85	Confident	66 Å²	66	54.5 Å²	54.5	40%	0.4	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	132.2	165.9	-179.5	0	0	0	0	108.5	P577 T601 F603	P577-V593 HydrophobicContact CG-CG2 4.45Å; V593-T601 HydrophobicContact CG1-CG2 4.2Å; V593-F603 HydrophobicContact CG2-CD1 3.83Å; V593-F603 HydrophobicContact CG2-CE1 3.62Å; V593-F603 HydrophobicContact CG2-CZ 4.48Å
594	L	87	Confident	85.8	Confident	91 Å²	91	55.2 Å²	55.2	48%	0.476	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-30.8	173.5	-67.3	173.2	0	0	0	112	V602 Q604 V615 L664	L594-V602 HydrophobicContact CB-CG1 4.29Å; L594-V602 PolarHBondContact N-O 3.3Å; L594-Q604 HydrophobicContact CD1-CB 3.95Å; L594-Q604 HydrophobicContact CD2-CB 4.15Å; L594-Q604 HydrophobicContact CG-CB 3.96Å; L594-V615 HydrophobicContact CD1-CG2 4.02Å; L594-L664 HydrophobicContact CD1-CD1 3.68Å
595	G	84	Confident	86.7	Confident	31 Å²	31	52.9 Å²	52.9	32%	0.32	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170	154.3	174.8	0	0	0	0	0	111.1	V602	G595-V602 PolarHBondContact N-O 3.08Å; G595-V602 PolarHBondContact O-N 2.74Å
596	Q	84.4	Confident	87.9	Confident	156 Å²	156	47.1 Å²	47.1	73%	0.729	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133	134.5	174.3	-179.8	169.7	-34.7	0	0	107.8	T601	Q596-T601 HydrophobicContact CB-CG2 4.25Å; Q596-T601 HydrophobicContact CG-CG2 4.32Å
597	G	77.1	Confident	88.6	Confident	46 Å²	46	45.2 Å²	45.2	47%	0.474	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	173.7	178.8	0	0	0	0	0	111.4	F599 A600	G597-F599 PolarHBondContact O-N 3.24Å; G597-A600 PolarHBondContact N-O 3.03Å; G597-A600 PolarHBondContact O-N 3.25Å; G597-A600 VanDerWaalsContact O-O 3.11Å
598	A	71.6	Confident	88.6	Confident	50 Å²	50	45.9 Å²	45.9	41%	0.413	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46	-42.4	-175.2	0	0	0	0	0	114.4	A35 F39	A35-A598 HydrophobicContact CB-CB 3.98Å; F39-A598 HydrophobicContact CE2-CB 3.66Å; F39-A598 VanDerWaalsContact CE2-O 3.27Å; F39-A598 WeakPolarHBondContact CE2-O 3.27Å; F39-A598 HydrophobicContact CZ-CB 3.83Å; F39-A598 WeakPolarHBondContact CZ-O 3.32Å
599	F	77.3	Confident	88.5	Confident	111 Å²	111	49.9 Å²	49.9	49%	0.487	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-15.5	-171.8	-51.5	-71.2	0	0	0	114.2	Y38 F39 G597 Q619	Y38-F599 HydrophobicContact CE1-CE1 4.05Å; Y38-F599 HydrophobicContact CE1-CZ 4.35Å; F39-F599 HydrophobicContact CE1-CD1 4.16Å; F39-F599 AromaticContact CE1-CE1 3.94Å; F39-F599 HydrophobicContact CE1-CE1 3.94Å; F39-F599 AromaticContact CZ-CD1 3.82Å; F39-F599 HydrophobicContact CZ-CD1 3.82Å; F39-F599 AromaticContact CZ-CE1 3.72Å; F39-F599 HydrophobicContact CZ-CE1 3.72Å; F39-F599 HydrophobicContact CZ-CZ 4.46Å; G597-F599 PolarHBondContact O-N 3.24Å; F599-Q619 WeakPolarHBondContact O-CG 3.04Å
600	A	89.6	Confident	88.3	Confident	15 Å²	15	49 Å²	49	12%	0.124	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	147.7	-173.3	0	0	0	0	0	113.9	G597 K617 V618 Q619	G597-A600 PolarHBondContact N-O 3.03Å; G597-A600 PolarHBondContact O-N 3.25Å; G597-A600 VanDerWaalsContact O-O 3.11Å; A600-K617 HydrophobicContact CB-CD 4.47Å; A600-K617 HydrophobicContact CB-CG 3.96Å; A600-V618 CarbonylContact C-O 3.53Å; A600-V618 WeakPolarHBondContact CA-O 3.44Å; A600-V618 WeakPolarHBondContact CB-O 3.26Å; A600-Q619 HydrophobicContact CB-CG 3.77Å
601	T	92.8	Very high	88.2	Confident	36 Å²	36	53.3 Å²	53.3	22%	0.221	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.7	162.1	-49.7	0	0	0	0	109.2	V593 Q596 F603 V618	V593-T601 HydrophobicContact CG1-CG2 4.2Å; Q596-T601 HydrophobicContact CB-CG2 4.25Å; Q596-T601 HydrophobicContact CG-CG2 4.32Å; T601-F603 HydrophobicContact CG2-CD2 4.17Å; T601-F603 HydrophobicContact CG2-CE1 4.22Å; T601-F603 HydrophobicContact CG2-CE2 3.46Å; T601-F603 VanDerWaalsContact CG2-CE2 3.46Å; T601-F603 HydrophobicContact CG2-CZ 3.5Å; T601-F603 VanDerWaalsContact CG2-CZ 3.5Å; T601-V618 PolarHBondContact N-O 3.17Å; T601-V618 PolarHBondContact O-N 3.37Å
602	V	93.3	Very high	88.2	Confident	41 Å²	41	55.7 Å²	55.7	25%	0.248	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	118.8	-176.7	-171.3	0	0	0	0	108.6	L594 G595 V615 K617	L594-V602 HydrophobicContact CB-CG1 4.29Å; L594-V602 PolarHBondContact N-O 3.3Å; G595-V602 PolarHBondContact N-O 3.08Å; G595-V602 PolarHBondContact O-N 2.74Å; V602-V615 HydrophobicContact CG1-CG1 3.54Å; V602-K617 HydrophobicContact CG2-CG 4.35Å
603	F	93.3	Very high	88.3	Confident	15 Å²	15	57.7 Å²	57.7	7%	0.066	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	154.6	178.2	-59.9	-96	0	0	0	111.3	I575 V590 A592 V593 T601 L616 V618	I575-F603 HydrophobicContact CB-CZ 4.47Å; I575-F603 HydrophobicContact CG2-CD1 4.3Å; I575-F603 HydrophobicContact CG2-CD2 3.91Å; I575-F603 HydrophobicContact CG2-CE1 3.98Å; I575-F603 HydrophobicContact CG2-CE2 3.57Å; I575-F603 HydrophobicContact CG2-CG 4.27Å; I575-F603 HydrophobicContact CG2-CZ 3.61Å; V590-F603 HydrophobicContact CG1-CB 3.99Å; V590-F603 HydrophobicContact CG1-CD1 3.56Å; V590-F603 HydrophobicContact CG1-CE1 4.32Å; V590-F603 HydrophobicContact CG1-CG 4Å; A592-F603 CarbonylContact O-C 3.51Å; A592-F603 WeakPolarHBondContact O-CA 3.4Å; V593-F603 HydrophobicContact CG2-CD1 3.83Å; V593-F603 HydrophobicContact CG2-CE1 3.62Å; V593-F603 HydrophobicContact CG2-CZ 4.48Å; T601-F603 HydrophobicContact CG2-CD2 4.17Å; T601-F603 HydrophobicContact CG2-CE1 4.22Å; T601-F603 HydrophobicContact CG2-CE2 3.46Å; T601-F603 VanDerWaalsContact CG2-CE2 3.46Å; T601-F603 HydrophobicContact CG2-CZ 3.5Å; T601-F603 VanDerWaalsContact CG2-CZ 3.5Å; F603-L616 HydrophobicContact CB-CB 4.35Å; F603-L616 HydrophobicContact CD2-CD2 4.18Å; F603-L616 PolarHBondContact N-O 2.73Å; F603-L616 PolarHBondContact O-N 3.38Å; F603-V618 HydrophobicContact CD2-CG2 3.82Å; F603-V618 HydrophobicContact CE2-CB 4.38Å; F603-V618 HydrophobicContact CE2-CG2 3.67Å
604	Q	93.3	Very high	88.4	Confident	29 Å²	29	55.3 Å²	55.3	14%	0.136	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	134.5	156.1	-172	-169.4	-70.3	0	0	108.5	D591 A592 L594 R613 L664	D591-Q604 HydrophobicContact CB-CB 4.45Å; D591-Q604 HydrophobicContact CB-CG 4.46Å; D591-Q604 PolarHBondContact N-O 3.35Å; D591-Q604 PolarHBondContact OD2-NE2 3.48Å; A592-Q604 PolarHBondContact O-N 3.2Å; L594-Q604 HydrophobicContact CD1-CB 3.95Å; L594-Q604 HydrophobicContact CD2-CB 4.15Å; L594-Q604 HydrophobicContact CG-CB 3.96Å; Q604-R613 VanDerWaalsContact NE2-NE 3.16Å; Q604-L664 HydrophobicContact CG-CD2 4.07Å
605	A	93.7	Very high	88.8	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	154.7	167	0	0	0	0	0	111.3	L588 R589 R613 M614 L616	L588-A605 HydrophobicContact CB-CB 4.48Å; R589-A605 CarbonylContact O-C 3.59Å; R589-A605 VanDerWaalsContact O-CA 3.23Å; R589-A605 WeakPolarHBondContact O-CA 3.45Å; A605-R613 CarbonylContact O-C 3.52Å; A605-R613 WeakPolarHBondContact O-CA 3.37Å; A605-M614 HydrophobicContact CB-CG 4.07Å; A605-M614 PolarHBondContact N-O 3.17Å; A605-M614 PolarHBondContact O-N 3.41Å; A605-L616 HydrophobicContact CB-CB 4.19Å; A605-L616 HydrophobicContact CB-CD1 4.15Å
606	T	93.3	Very high	89.3	Confident	11 Å²	11	50.8 Å²	50.8	7%	0.067	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.5	168.9	-62.1	0	0	0	0	109	R589 D591 P608 N612 R613	R589-T606 PolarHBondContact N-O 2.9Å; R589-T606 VanDerWaalsContact NH2-CB 3.27Å; R589-T606 PolarHBondContact NH2-OG1 3.05Å; R589-T606 PolarHBondContact O-N 2.89Å; D591-T606 PolarHBondContact OD1-OG1 2.91Å; D591-T606 WeakPolarHBondContact OD2-CB 3.35Å; D591-T606 PolarHBondContact OD2-N 3.18Å; D591-T606 PolarHBondContact OD2-OG1 3.34Å; T606-P608 VanDerWaalsContact O-CD 3.32Å; T606-P608 WeakPolarHBondContact O-CD 3.45Å; T606-N612 WeakPolarHBondContact CA-O 3.39Å; T606-R613 WeakPolarHBondContact OG1-CG 3.44Å
607	D	91.3	Very high	89.8	Confident	26 Å²	26	44.4 Å²	44.4	14%	0.139	27%	0.273	C	S	.	.			trans	-69.8	116.8	163.8	171.1	4.9	0	0	0	109.3	L588 A609 T610 S611 N612 M614	L588-D607 HydrophobicContact CD2-CB 4.02Å; D607-A609 PolarHBondContact O-N 3.4Å; D607-A609 WeakPolarHBondContact OD1-CB 3.35Å; D607-A609 PolarHBondContact OD1-N 2.75Å; D607-T610 VanDerWaalsContact CG-OG1 3.26Å; D607-T610 PolarHBondContact OD1-N 2.93Å; D607-T610 WeakPolarHBondContact OD2-CB 3.42Å; D607-T610 VanDerWaalsContact OD2-CG2 3.27Å; D607-T610 WeakPolarHBondContact OD2-CG2 3.28Å; D607-T610 PolarHBondContact OD2-N 3.05Å; D607-T610 PolarHBondContact OD2-OG1 2.99Å; D607-S611 WeakPolarHBondContact O-CA 3.39Å; D607-S611 PolarHBondContact O-N 3.46Å; D607-N612 PolarHBondContact N-O 2.97Å; D607-M614 HydrophobicContact CB-CE 3.93Å
608	P	88.6	Confident	90.7	Very high	59 Å²	59	43 Å²	43	38%	0.383	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.1	-179.6	-20.2	34.5	0	0	0	114.5	S587 R589 T606	S587-P608 WeakPolarHBondContact O-CD 3.39Å; R589-P608 HydrophobicContact CB-CG 4.24Å; T606-P608 VanDerWaalsContact O-CD 3.32Å; T606-P608 WeakPolarHBondContact O-CD 3.45Å
609	A	88.9	Confident	91.8	Very high	90 Å²	90	41 Å²	41	74%	0.744	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-42.3	-177.8	0	0	0	0	0	112.1	D607	D607-A609 PolarHBondContact O-N 3.4Å; D607-A609 WeakPolarHBondContact OD1-CB 3.35Å; D607-A609 PolarHBondContact OD1-N 2.75Å
610	T	90.1	Very high	92.5	Very high	78 Å²	78	41.1 Å²	41.1	48%	0.479	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-7.2	179.4	67	0	0	0	0	114.3	D607 N612	D607-T610 VanDerWaalsContact CG-OG1 3.26Å; D607-T610 PolarHBondContact OD1-N 2.93Å; D607-T610 WeakPolarHBondContact OD2-CB 3.42Å; D607-T610 VanDerWaalsContact OD2-CG2 3.27Å; D607-T610 WeakPolarHBondContact OD2-CG2 3.28Å; D607-T610 PolarHBondContact OD2-N 3.05Å; D607-T610 PolarHBondContact OD2-OG1 2.99Å; T610-N612 VanDerWaalsContact CB-ND2 3.29Å; T610-N612 WeakPolarHBondContact CB-ND2 3.19Å; T610-N612 PolarHBondContact O-N 3.46Å; T610-N612 VanDerWaalsContact O-N 3.11Å; T610-N612 WeakPolarHBondContact OG1-CB 3.42Å; T610-N612 PolarHBondContact OG1-N 3.3Å; T610-N612 PolarHBondContact OG1-ND2 2.82Å
611	S	90.6	Very high	92.6	Very high	91 Å²	91	45.2 Å²	45.2	64%	0.636	26%	0.263	S	S	*	.			trans	58	10.7	-169.8	-61.3	0	0	0	0	115.2	D607 R613	D607-S611 WeakPolarHBondContact O-CA 3.39Å; D607-S611 PolarHBondContact O-N 3.46Å; S611-R613 PolarHBondContact O-N 3.02Å
612	N	90.9	Very high	92.6	Very high	86 Å²	86	45.3 Å²	45.3	46%	0.46	27%	0.267	S	S	.	.			trans	-69.5	127.3	177.9	-78.9	-56.7	0	0	0	111.4	T606 D607 T610	T606-N612 WeakPolarHBondContact CA-O 3.39Å; D607-N612 PolarHBondContact N-O 2.97Å; T610-N612 VanDerWaalsContact CB-ND2 3.29Å; T610-N612 WeakPolarHBondContact CB-ND2 3.19Å; T610-N612 PolarHBondContact O-N 3.46Å; T610-N612 VanDerWaalsContact O-N 3.11Å; T610-N612 WeakPolarHBondContact OG1-CB 3.42Å; T610-N612 PolarHBondContact OG1-N 3.3Å; T610-N612 PolarHBondContact OG1-ND2 2.82Å
613	R	92.3	Very high	92.7	Very high	84 Å²	84	45 Å²	45	32%	0.317	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	142.4	172	-71.9	168.2	66.9	-127.7	1.3	110.5	Q604 A605 T606 S611 L664 N666	Q604-R613 VanDerWaalsContact NE2-NE 3.16Å; A605-R613 CarbonylContact O-C 3.52Å; A605-R613 WeakPolarHBondContact O-CA 3.37Å; T606-R613 WeakPolarHBondContact OG1-CG 3.44Å; S611-R613 PolarHBondContact O-N 3.02Å; R613-L664 HydrophobicContact CB-CD2 3.7Å; R613-N666 PolarHBondContact NH1-OD1 2.85Å; R613-N666 VanDerWaalsContact NH1-OD1 3.16Å; R613-N666 PolarHBondContact NH2-OD1 3.47Å; R613-N666 VanDerWaalsContact NH2-OD1 3.14Å
614	M	93.8	Very high	92.8	Very high	15 Å²	15	46 Å²	46	7%	0.074	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	165.2	-176.6	65.7	-168.8	77.4	0	0	111.3	L588 A605 D607 L661 G662	L588-M614 HydrophobicContact CD1-SD 4.13Å; L588-M614 HydrophobicContact CD2-CE 3.59Å; L588-M614 HydrophobicContact CD2-SD 3.66Å; A605-M614 HydrophobicContact CB-CG 4.07Å; A605-M614 PolarHBondContact N-O 3.17Å; A605-M614 PolarHBondContact O-N 3.41Å; D607-M614 HydrophobicContact CB-CE 3.93Å; M614-L661 HydrophobicContact SD-CB 4.46Å; M614-L661 HydrophobicContact SD-CD1 4.34Å; M614-L661 HydrophobicContact SD-CD2 4.35Å; M614-G662 WeakPolarHBondContact CB-O 3.49Å
615	V	94.9	Very high	92.9	Very high	27 Å²	27	45.1 Å²	45.1	16%	0.164	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	141.2	168.6	170.1	0	0	0	0	109.5	L594 V602 L661 G662 E663 L664	L594-V615 HydrophobicContact CD1-CG2 4.02Å; V602-V615 HydrophobicContact CG1-CG1 3.54Å; V615-L661 CarbonylContact O-C 3.59Å; V615-L661 WeakPolarHBondContact O-CA 3.43Å; V615-G662 PolarHBondContact N-O 2.83Å; V615-G662 PolarHBondContact O-N 2.86Å; V615-E663 WeakPolarHBondContact CG2-O 3.23Å; V615-L664 HydrophobicContact CG2-CB 4.18Å; V615-L664 HydrophobicContact CG2-CD1 3.61Å
616	L	94.6	Very high	93.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	100.6	173.6	-171.8	158.2	0	0	0	108	I575 L581 L588 F603 A605 V618 I659 M660 L661	I575-L616 HydrophobicContact CD1-CD2 4.28Å; L581-L616 HydrophobicContact CD1-CD1 3.73Å; L588-L616 HydrophobicContact CD1-CD1 4.28Å; F603-L616 HydrophobicContact CB-CB 4.35Å; F603-L616 HydrophobicContact CD2-CD2 4.18Å; F603-L616 PolarHBondContact N-O 2.73Å; F603-L616 PolarHBondContact O-N 3.38Å; A605-L616 HydrophobicContact CB-CB 4.19Å; A605-L616 HydrophobicContact CB-CD1 4.15Å; L616-V618 HydrophobicContact CD2-CG2 3.41Å; L616-V618 VanDerWaalsContact CD2-CG2 3.41Å; L616-I659 HydrophobicContact CD1-CG2 4.2Å; L616-I659 HydrophobicContact CD2-CG2 3.59Å; L616-I659 HydrophobicContact CG-CG2 3.61Å; L616-M660 WeakPolarHBondContact CA-O 3.33Å; L616-L661 HydrophobicContact CB-CD2 4.11Å; L616-L661 HydrophobicContact CD1-CD2 3.83Å; L616-L661 HydrophobicContact CG-CD2 3.76Å
617	K	95.7	Very high	93.3	Very high	22 Å²	22	45.1 Å²	45.1	10%	0.096	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	122.8	178.9	-173.2	-175.2	-164.2	-169.4	0	109.2	A600 V602 E626 I659 M660 D744	A600-K617 HydrophobicContact CB-CD 4.47Å; A600-K617 HydrophobicContact CB-CG 3.96Å; V602-K617 HydrophobicContact CG2-CG 4.35Å; K617-E626 IonicContact NZ-OE1 3.62Å; K617-E626 PolarHBondContact NZ-OE1 3.18Å; K617-E626 IonicContact NZ-OE2 3.19Å; K617-E626 PolarHBondContact NZ-OE2 3.12Å; K617-I659 CarbonylContact O-C 3.56Å; K617-I659 WeakPolarHBondContact O-CA 3.48Å; K617-M660 HydrophobicContact CB-CB 4.36Å; K617-M660 PolarHBondContact N-O 2.99Å; K617-M660 PolarHBondContact O-N 2.85Å; K617-D744 IonicContact NZ-OD1 2.72Å; K617-D744 PolarHBondContact NZ-OD1 2.68Å
618	V	95	Very high	93.6	Very high	16 Å²	16	44.8 Å²	44.8	10%	0.097	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.9	179.2	-171	0	0	0	0	109.3	V572 I575 A600 T601 F603 L616 S658	V572-V618 HydrophobicContact CG1-CG1 4Å; I575-V618 HydrophobicContact CD1-CB 4.39Å; I575-V618 HydrophobicContact CD1-CG1 4Å; I575-V618 HydrophobicContact CD1-CG2 3.44Å; I575-V618 VanDerWaalsContact CD1-CG2 3.44Å; I575-V618 HydrophobicContact CG2-CG2 4.41Å; A600-V618 CarbonylContact C-O 3.53Å; A600-V618 WeakPolarHBondContact CA-O 3.44Å; A600-V618 WeakPolarHBondContact CB-O 3.26Å; T601-V618 PolarHBondContact N-O 3.17Å; T601-V618 PolarHBondContact O-N 3.37Å; F603-V618 HydrophobicContact CD2-CG2 3.82Å; F603-V618 HydrophobicContact CE2-CB 4.38Å; F603-V618 HydrophobicContact CE2-CG2 3.67Å; L616-V618 HydrophobicContact CD2-CG2 3.41Å; L616-V618 VanDerWaalsContact CD2-CG2 3.41Å; V618-S658 WeakPolarHBondContact CA-O 3.44Å
619	Q	94.8	Very high	94.1	Very high	8 Å²	8	42 Å²	42	4%	0.037	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.6	177.9	-68.6	151.4	-47.3	0	0	110.5	F599 A600 P621 E626 G657 S658	F599-Q619 WeakPolarHBondContact O-CG 3.04Å; A600-Q619 HydrophobicContact CB-CG 3.77Å; Q619-P621 CarbonylContact C-O 3.41Å; Q619-E626 PolarHBondContact NE2-OE2 3.17Å; Q619-G657 CarbonylContact O-C 3.56Å; Q619-G657 WeakPolarHBondContact O-CA 3.28Å; Q619-S658 PolarHBondContact N-O 3.33Å; Q619-S658 PolarHBondContact O-N 2.92Å; Q619-S658 PolarHBondContact OE1-OG 2.87Å
620	K	91.9	Very high	94.5	Very high	115 Å²	115	37.7 Å²	37.7	50%	0.5	21%	0.21	S	C	.	.	S	Bend	trans	-139.3	121.4	168.6	-63.1	-160.1	177.9	-160	0	108.8	D656	K620-D656 WeakPolarHBondContact CE-OD2 3.38Å; K620-D656 WeakPolarHBondContact CG-O 3.24Å; K620-D656 IonicContact NZ-OD1 3.41Å; K620-D656 IonicContact NZ-OD2 2.67Å; K620-D656 PolarHBondContact NZ-OD2 3.21Å
621	P	92.3	Very high	94.8	Very high	100 Å²	100	35 Å²	35	65%	0.649	19%	0.194	S	C	*	.	S	Bend	cis	-66.4	-179.5	-1.7	32.2	-38.1	0	0	0	113.1	Q619	Q619-P621 CarbonylContact C-O 3.41Å
622	A	92.8	Very high	95.2	Very high	38 Å²	38	31.1 Å²	31.1	31%	0.314	17%	0.166	S	C	.	.			trans	-65.9	136.1	178.6	0	0	0	0	0	111.5	P624 G657	A622-P624 VanDerWaalsContact C-CD 3.48Å; A622-P624 VanDerWaalsContact O-CD 3.28Å; A622-P624 WeakPolarHBondContact O-CD 3.47Å; A622-G657 VanDerWaalsContact CB-C 3.47Å; A622-G657 WeakPolarHBondContact CB-O 3.36Å
623	N	94	Very high	95.5	Very high	36 Å²	36	27 Å²	27	19%	0.193	15%	0.145	C	C	.	.			trans	-114.9	78.4	174.3	-171.2	-9.9	0	0	0	111	W625 E626 S658 M660	N623-W625 PolarHBondContact O-N 2.77Å; N623-W625 WeakPolarHBondContact OD1-CB 3.45Å; N623-W625 PolarHBondContact OD1-N 3.38Å; N623-E626 PolarHBondContact OD1-N 3.35Å; N623-E626 VanDerWaalsContact OD1-N 3.13Å; N623-S658 PolarHBondContact N-OG 3.34Å; N623-M660 HydrophobicContact CB-CE 4.42Å; N623-M660 WeakPolarHBondContact O-CE 3.16Å
624	P	95.6	Very high	95.7	Very high	36 Å²	36	26.6 Å²	26.6	23%	0.234	15%	0.148	C	C	.	.	H	α-helix	trans	-65.6	-20.6	173.2	27.9	-34.6	0	0	0	113.1	L552 L559 A622 F627 Y628 L653	L552-P624 HydrophobicContact CD1-CB 4.17Å; L552-P624 HydrophobicContact CD1-CG 3.75Å; L559-P624 HydrophobicContact CD2-CB 3.98Å; L559-P624 WeakPolarHBondContact CD2-O 3.47Å; A622-P624 VanDerWaalsContact C-CD 3.48Å; A622-P624 VanDerWaalsContact O-CD 3.28Å; A622-P624 WeakPolarHBondContact O-CD 3.47Å; P624-F627 PolarHBondContact O-N 3.19Å; P624-Y628 PolarHBondContact O-N 3.44Å; P624-Y628 VanDerWaalsContact O-N 3.09Å; P624-L653 HydrophobicContact CB-CD1 4.03Å; P624-L653 HydrophobicContact CB-CD2 4.16Å
625	W	96.6	Very high	95.8	Very high	10 Å²	10	30 Å²	30	4%	0.038	18%	0.179	C	C	.	.	H	α-helix	trans	-67.6	-40.2	-175.2	179.1	-102.4	0	0	0	113	I548 L551 L552 N623 F627 Y628 I629 S748 D750 L753	I548-W625 HydrophobicContact CG2-CB 3.99Å; I548-W625 HydrophobicContact CG2-CD2 4.15Å; I548-W625 HydrophobicContact CG2-CE3 3.95Å; I548-W625 HydrophobicContact CG2-CG 4.21Å; L551-W625 HydrophobicContact CB-CZ3 4.24Å; L551-W625 HydrophobicContact CD1-CH2 4.08Å; L551-W625 HydrophobicContact CD1-CZ3 4.35Å; L552-W625 HydrophobicContact CD1-CE3 4.48Å; L552-W625 HydrophobicContact CD2-CE3 3.92Å; L552-W625 HydrophobicContact CD2-CZ3 4.37Å; L552-W625 HydrophobicContact CG-CE3 4.06Å; N623-W625 PolarHBondContact O-N 2.77Å; N623-W625 WeakPolarHBondContact OD1-CB 3.45Å; N623-W625 PolarHBondContact OD1-N 3.38Å; W625-F627 VanDerWaalsContact C-N 3.26Å; W625-F627 PolarHBondContact O-N 3.13Å; W625-Y628 HydrophobicContact CD2-CD1 4.28Å; W625-Y628 AromaticContact CE3-CD1 3.69Å; W625-Y628 HydrophobicContact CE3-CD1 3.69Å; W625-Y628 HydrophobicContact CE3-CE1 4.31Å; W625-Y628 HydrophobicContact CH2-CD1 4.14Å; W625-Y628 HydrophobicContact CH2-CE1 4.01Å; W625-Y628 AromaticContact CZ3-CD1 3.61Å; W625-Y628 HydrophobicContact CZ3-CD1 3.61Å; W625-Y628 AromaticContact CZ3-CE1 3.75Å; W625-Y628 HydrophobicContact CZ3-CE1 3.75Å; W625-Y628 WeakPolarHBondContact O-CA 3.49Å; W625-Y628 WeakPolarHBondContact O-CB 3.39Å; W625-Y628 PolarHBondContact O-N 3.2Å; W625-Y628 VanDerWaalsContact O-N 3.08Å; W625-I629 HydrophobicContact CZ2-CD1 3.88Å; W625-I629 WeakPolarHBondContact O-CG1 3.5Å; W625-I629 PolarHBondContact O-N 2.82Å; W625-S748 PolarHBondContact NE1-O 3.46Å; W625-D750 HydrophobicContact CH2-CB 4.47Å; W625-L753 HydrophobicContact CH2-CD1 3.8Å; W625-L753 HydrophobicContact CZ3-CD1 4.03Å
626	E	96.8	Very high	96	Very high	10 Å²	10	32.8 Å²	32.8	5%	0.047	19%	0.187	C	C	.	.	H	α-helix	trans	-58.7	-38.2	174.7	-172.2	175.3	176.7	0	0	112.4	K617 Q619 N623 N630 I648 M660 L745	K617-E626 IonicContact NZ-OE1 3.62Å; K617-E626 PolarHBondContact NZ-OE1 3.18Å; K617-E626 IonicContact NZ-OE2 3.19Å; K617-E626 PolarHBondContact NZ-OE2 3.12Å; Q619-E626 PolarHBondContact NE2-OE2 3.17Å; N623-E626 PolarHBondContact OD1-N 3.35Å; N623-E626 VanDerWaalsContact OD1-N 3.13Å; E626-N630 PolarHBondContact O-N 3.49Å; E626-I648 HydrophobicContact CG-CD1 4.12Å; E626-M660 HydrophobicContact CB-CE 3.77Å; E626-M660 HydrophobicContact CB-SD 4.16Å; E626-M660 HydrophobicContact CG-CE 4.36Å; E626-M660 HydrophobicContact CG-SD 4.09Å; E626-L745 HydrophobicContact CG-CB 3.96Å
627	F	97.8	Very high	96.1	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-70.4	-38.3	175.1	-175.2	-110.8	0	0	0	112.1	L559 H562 C564 C565 P624 W625 N630 T631 I648 A651	L559-F627 HydrophobicContact CD1-CD1 3.97Å; L559-F627 HydrophobicContact CD1-CE1 4.31Å; L559-F627 HydrophobicContact CD2-CD1 4.37Å; L559-F627 HydrophobicContact CG-CD1 4.26Å; H562-F627 HydrophobicContact CB-CE1 4.43Å; H562-F627 AromaticContact CE1-CZ 3.82Å; H562-F627 AromaticContact ND1-CE1 3.7Å; H562-F627 AromaticContact ND1-CZ 3.48Å; H562-F627 WeakPolarHBondContact ND1-CZ 3.46Å; C564-F627 HydrophobicContact CB-CZ 4.22Å; C565-F627 HydrophobicContact CB-CD1 4.44Å; C565-F627 HydrophobicContact CB-CE1 3.9Å; P624-F627 PolarHBondContact O-N 3.19Å; W625-F627 VanDerWaalsContact C-N 3.26Å; W625-F627 PolarHBondContact O-N 3.13Å; F627-N630 WeakPolarHBondContact O-CB 3.36Å; F627-N630 PolarHBondContact O-N 3.38Å; F627-T631 HydrophobicContact CD1-CG2 4.35Å; F627-T631 HydrophobicContact CE1-CG2 3.83Å; F627-T631 HydrophobicContact CE2-CG2 4.28Å; F627-T631 HydrophobicContact CZ-CG2 3.8Å; F627-T631 PolarHBondContact O-N 3.38Å; F627-T631 PolarHBondContact O-OG1 3.48Å; F627-I648 HydrophobicContact CD2-CB 4.07Å; F627-I648 HydrophobicContact CD2-CG2 3.65Å; F627-I648 HydrophobicContact CE2-CB 4.37Å; F627-I648 HydrophobicContact CE2-CG2 4.01Å; F627-A651 HydrophobicContact CB-CB 3.77Å; F627-A651 HydrophobicContact CD1-CB 3.84Å; F627-A651 HydrophobicContact CD2-CB 3.62Å; F627-A651 HydrophobicContact CE1-CB 4.38Å; F627-A651 HydrophobicContact CE2-CB 4.17Å; F627-A651 HydrophobicContact CG-CB 3.43Å; F627-A651 VanDerWaalsContact CG-CB 3.43Å
628	Y	98.1	Very high	96.1	Very high	18 Å²	18	35.6 Å²	35.6	7%	0.071	21%	0.206	C	C	.	.	H	α-helix	trans	-58.4	-48.4	172.6	169.5	-109.8	0	0	0	112	L552 L555 L559 P624 W625 N630 T631 C632 D750 L753	L552-Y628 HydrophobicContact CD2-CD1 4.23Å; L552-Y628 HydrophobicContact CD2-CD2 4.4Å; L552-Y628 HydrophobicContact CD2-CG 3.89Å; L555-Y628 HydrophobicContact CD1-CD2 3.57Å; L555-Y628 HydrophobicContact CD1-CE2 3.64Å; L555-Y628 HydrophobicContact CD1-CG 4.33Å; L555-Y628 HydrophobicContact CD2-CD2 4.34Å; L555-Y628 HydrophobicContact CD2-CE2 3.53Å; L555-Y628 HydrophobicContact CG-CE2 4.25Å; L559-Y628 HydrophobicContact CD1-CD2 4.31Å; P624-Y628 PolarHBondContact O-N 3.44Å; P624-Y628 VanDerWaalsContact O-N 3.09Å; W625-Y628 HydrophobicContact CD2-CD1 4.28Å; W625-Y628 AromaticContact CE3-CD1 3.69Å; W625-Y628 HydrophobicContact CE3-CD1 3.69Å; W625-Y628 HydrophobicContact CE3-CE1 4.31Å; W625-Y628 HydrophobicContact CH2-CD1 4.14Å; W625-Y628 HydrophobicContact CH2-CE1 4.01Å; W625-Y628 AromaticContact CZ3-CD1 3.61Å; W625-Y628 HydrophobicContact CZ3-CD1 3.61Å; W625-Y628 AromaticContact CZ3-CE1 3.75Å; W625-Y628 HydrophobicContact CZ3-CE1 3.75Å; W625-Y628 WeakPolarHBondContact O-CA 3.49Å; W625-Y628 WeakPolarHBondContact O-CB 3.39Å; W625-Y628 PolarHBondContact O-N 3.2Å; W625-Y628 VanDerWaalsContact O-N 3.08Å; Y628-N630 VanDerWaalsContact C-N 3.33Å; Y628-N630 PolarHBondContact O-N 2.83Å; Y628-T631 PolarHBondContact O-N 3.03Å; Y628-T631 VanDerWaalsContact O-N 3.13Å; Y628-T631 PolarHBondContact O-OG1 2.91Å; Y628-C632 WeakPolarHBondContact CE2-SG 3.46Å; Y628-C632 PolarHBondContact O-N 2.72Å; Y628-C632 PolarHBondContact O-SG 2.96Å; Y628-C632 VanDerWaalsContact O-SG 3.36Å; Y628-D750 HydrophobicContact CE1-CB 4.31Å; Y628-D750 PolarHBondContact OH-OD2 3.16Å; Y628-D750 VanDerWaalsContact OH-OD2 3.05Å; Y628-L753 HydrophobicContact CE1-CD1 3.73Å; Y628-L753 WeakPolarHBondContact OH-CD1 3.21Å
629	I	98.3	Very high	96.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.8	-42.6	176.6	-60.1	-63.6	0	0	0	110.7	W625 T631 C632 L633 I709 L745 D750	W625-I629 HydrophobicContact CZ2-CD1 3.88Å; W625-I629 WeakPolarHBondContact O-CG1 3.5Å; W625-I629 PolarHBondContact O-N 2.82Å; I629-T631 PolarHBondContact O-N 3.37Å; I629-C632 WeakPolarHBondContact O-CB 3.36Å; I629-C632 PolarHBondContact O-N 2.97Å; I629-C632 VanDerWaalsContact O-N 3.09Å; I629-L633 WeakPolarHBondContact O-CG 3.48Å; I629-L633 PolarHBondContact O-N 3.13Å; I629-I709 HydrophobicContact CG2-CD1 4.34Å; I629-I709 HydrophobicContact CG2-CG2 4.09Å; I629-L745 HydrophobicContact CB-CB 4.26Å; I629-L745 HydrophobicContact CG2-CB 4.01Å; I629-L745 HydrophobicContact CG2-CD1 4.21Å; I629-L745 HydrophobicContact CG2-CD2 4.26Å; I629-L745 HydrophobicContact CG2-CG 4.39Å; I629-D750 HydrophobicContact CD1-CB 3.87Å
630	N	97.9	Very high	96	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-55.7	-47.7	172.8	175.9	99.5	0	0	0	111.9	E626 F627 Y628 C632 L633 D634 R642 G646 I648 L745	E626-N630 PolarHBondContact O-N 3.49Å; F627-N630 WeakPolarHBondContact O-CB 3.36Å; F627-N630 PolarHBondContact O-N 3.38Å; Y628-N630 VanDerWaalsContact C-N 3.33Å; Y628-N630 PolarHBondContact O-N 2.83Å; N630-C632 VanDerWaalsContact C-N 3.25Å; N630-C632 PolarHBondContact O-N 2.92Å; N630-L633 WeakPolarHBondContact O-CB 3.26Å; N630-L633 PolarHBondContact O-N 3.42Å; N630-L633 VanDerWaalsContact O-N 3.11Å; N630-D634 PolarHBondContact ND2-OD2 2.75Å; N630-D634 VanDerWaalsContact O-CG 3.24Å; N630-D634 PolarHBondContact O-N 2.82Å; N630-R642 PolarHBondContact OD1-NH2 3.08Å; N630-G646 PolarHBondContact OD1-O 2.75Å; N630-I648 HydrophobicContact CB-CB 4.3Å; N630-I648 HydrophobicContact CB-CD1 3.82Å; N630-I648 HydrophobicContact CB-CG1 4.14Å; N630-I648 PolarHBondContact OD1-N 2.82Å; N630-L745 HydrophobicContact CB-CD1 4.27Å
631	T	97.2	Very high	96.1	Very high	22 Å²	22	39 Å²	39	14%	0.135	24%	0.243	C	C	.	.	H	α-helix	trans	-65	-27.4	177.3	58.8	0	0	0	0	113.3	F627 Y628 I629 A635	F627-T631 HydrophobicContact CD1-CG2 4.35Å; F627-T631 HydrophobicContact CE1-CG2 3.83Å; F627-T631 HydrophobicContact CE2-CG2 4.28Å; F627-T631 HydrophobicContact CZ-CG2 3.8Å; F627-T631 PolarHBondContact O-N 3.38Å; F627-T631 PolarHBondContact O-OG1 3.48Å; Y628-T631 PolarHBondContact O-N 3.03Å; Y628-T631 VanDerWaalsContact O-N 3.13Å; Y628-T631 PolarHBondContact O-OG1 2.91Å; I629-T631 PolarHBondContact O-N 3.37Å; T631-A635 WeakPolarHBondContact O-CB 3.37Å; T631-A635 PolarHBondContact O-N 3.06Å; T631-A635 VanDerWaalsContact O-N 3.12Å
632	C	97.4	Very high	96.3	Very high	10 Å²	10	35.7 Å²	35.7	7%	0.068	22%	0.218	C	C	.	.	H	α-helix	trans	-70.7	-37.9	171.7	-67.3	0	0	0	0	112	Y628 I629 N630 A635 R636 I709	Y628-C632 WeakPolarHBondContact CE2-SG 3.46Å; Y628-C632 PolarHBondContact O-N 2.72Å; Y628-C632 PolarHBondContact O-SG 2.96Å; Y628-C632 VanDerWaalsContact O-SG 3.36Å; I629-C632 WeakPolarHBondContact O-CB 3.36Å; I629-C632 PolarHBondContact O-N 2.97Å; I629-C632 VanDerWaalsContact O-N 3.09Å; N630-C632 VanDerWaalsContact C-N 3.25Å; N630-C632 PolarHBondContact O-N 2.92Å; C632-A635 PolarHBondContact O-N 3.44Å; C632-R636 VanDerWaalsContact O-CB 3.27Å; C632-R636 WeakPolarHBondContact O-CB 3.39Å; C632-R636 WeakPolarHBondContact O-CG 3.32Å; C632-R636 PolarHBondContact O-N 3.23Å; C632-I709 HydrophobicContact CB-CD1 4.05Å
633	L	98.1	Very high	96.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.5	-41.1	172.1	-61.8	173.4	0	0	0	111.6	I629 N630 A635 L637 F645 L704 I709 L745	I629-L633 WeakPolarHBondContact O-CG 3.48Å; I629-L633 PolarHBondContact O-N 3.13Å; N630-L633 WeakPolarHBondContact O-CB 3.26Å; N630-L633 PolarHBondContact O-N 3.42Å; N630-L633 VanDerWaalsContact O-N 3.11Å; L633-A635 PolarHBondContact O-N 3.43Å; L633-L637 HydrophobicContact CB-CD1 4.05Å; L633-L637 HydrophobicContact CD2-CD1 3.89Å; L633-L637 HydrophobicContact CD2-CG 4.39Å; L633-L637 WeakPolarHBondContact O-CB 3.48Å; L633-L637 PolarHBondContact O-N 2.94Å; L633-L637 VanDerWaalsContact O-N 3.13Å; L633-F645 HydrophobicContact CD1-CB 4.03Å; L633-F645 HydrophobicContact CD1-CD1 4.44Å; L633-F645 HydrophobicContact CD1-CG 4.16Å; L633-L704 HydrophobicContact CD2-CD1 3.52Å; L633-I709 HydrophobicContact CD2-CD1 3.55Å; L633-I709 HydrophobicContact CG-CD1 4.11Å; L633-L745 HydrophobicContact CD1-CD1 3.53Å; L633-L745 HydrophobicContact CD1-CD2 4.03Å; L633-L745 HydrophobicContact CD1-CG 4.45Å
634	D	96.5	Very high	96.5	Very high	74 Å²	74	34.1 Å²	34.1	40%	0.396	20%	0.202	S	C	.	.	H	α-helix	trans	-59.9	-33.1	174.9	-62.3	-31.9	0	0	0	112.5	N630 R642	N630-D634 PolarHBondContact ND2-OD2 2.75Å; N630-D634 VanDerWaalsContact O-CG 3.24Å; N630-D634 PolarHBondContact O-N 2.82Å; D634-R642 IonicContact OD1-CZ 3.58Å; D634-R642 IonicContact OD1-NE 3.47Å; D634-R642 PolarHBondContact OD1-NE 3.41Å; D634-R642 IonicContact OD1-NH2 2.68Å; D634-R642 PolarHBondContact OD1-NH2 3.47Å
635	A	96.6	Very high	96.6	Very high	88 Å²	88	32.6 Å²	32.6	73%	0.727	19%	0.192	S	C	*	.	H	α-helix	trans	-91.4	-28	-177.3	0	0	0	0	0	114.8	T631 C632 L633	T631-A635 WeakPolarHBondContact O-CB 3.37Å; T631-A635 PolarHBondContact O-N 3.06Å; T631-A635 VanDerWaalsContact O-N 3.12Å; C632-A635 PolarHBondContact O-N 3.44Å; L633-A635 PolarHBondContact O-N 3.43Å
636	R	97.9	Very high	96.4	Very high	85 Å²	85	32.7 Å²	32.7	32%	0.321	20%	0.196	S	C	.	.	H	α-helix	trans	-102.1	-26.9	-172.6	-63.4	175.7	-163.5	179.1	6.2	114.3	C632 A707 D750	C632-R636 VanDerWaalsContact O-CB 3.27Å; C632-R636 WeakPolarHBondContact O-CB 3.39Å; C632-R636 WeakPolarHBondContact O-CG 3.32Å; C632-R636 PolarHBondContact O-N 3.23Å; R636-A707 HydrophobicContact CB-CB 4.05Å; R636-A707 WeakPolarHBondContact CD-O 3.46Å; R636-A707 PolarHBondContact NH1-O 3Å; R636-D750 IonicContact CZ-OD1 3.3Å; R636-D750 IonicContact CZ-OD2 3.63Å; R636-D750 IonicContact NH1-OD1 2.84Å; R636-D750 PolarHBondContact NH1-OD1 3.13Å; R636-D750 IonicContact NH1-OD2 3.93Å; R636-D750 VanDerWaalsContact NH2-CG 3.3Å; R636-D750 IonicContact NH2-OD1 2.86Å; R636-D750 PolarHBondContact NH2-OD1 2.85Å; R636-D750 IonicContact NH2-OD2 3.75Å; R636-D750 PolarHBondContact NH2-OD2 3.11Å
637	L	97	Very high	96.3	Very high	16 Å²	16	34.1 Å²	34.1	8%	0.084	21%	0.208	C	C	.	.	S	Bend	trans	-89.9	142	-176.9	-65.9	177	0	0	0	112	L633 V641 F645 Q703 A707	L633-L637 HydrophobicContact CB-CD1 4.05Å; L633-L637 HydrophobicContact CD2-CD1 3.89Å; L633-L637 HydrophobicContact CD2-CG 4.39Å; L633-L637 WeakPolarHBondContact O-CB 3.48Å; L633-L637 PolarHBondContact O-N 2.94Å; L633-L637 VanDerWaalsContact O-N 3.13Å; L637-V641 HydrophobicContact CB-CG2 3.92Å; L637-V641 HydrophobicContact CD1-CG2 4.43Å; L637-V641 HydrophobicContact CD2-CG2 3.99Å; L637-V641 HydrophobicContact CG-CG2 4.35Å; L637-F645 HydrophobicContact CD1-CD2 3.43Å; L637-F645 VanDerWaalsContact CD1-CD2 3.43Å; L637-F645 HydrophobicContact CD1-CE2 3.36Å; L637-F645 HydrophobicContact CD1-CG 4.49Å; L637-F645 HydrophobicContact CD1-CZ 4.36Å; L637-Q703 HydrophobicContact CD2-CB 4.46Å; L637-A707 HydrophobicContact CD2-CB 3.91Å; L637-A707 HydrophobicContact CG-CB 4.45Å
638	P	95.3	Very high	96.2	Very high	65 Å²	65	35.1 Å²	35.1	42%	0.422	21%	0.212	S	C	.	.			trans	-54.4	139.8	164.5	-26.1	34.3	0	0	0	111.8	S640 V641 R642	P638-S640 PolarHBondContact O-N 2.93Å; P638-V641 HydrophobicContact CB-CG1 4.49Å; P638-V641 HydrophobicContact CB-CG2 4.44Å; P638-V641 HydrophobicContact CG-CG2 4.49Å; P638-V641 PolarHBondContact O-N 3.48Å; P638-R642 PolarHBondContact O-N 3.48Å
639	P	94.3	Very high	96	Very high	123 Å²	123	39.9 Å²	39.9	80%	0.799	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-27.7	177.8	-28.7	35.8	0	0	0	114.1	V641	P639-V641 VanDerWaalsContact C-N 3.3Å; P639-V641 PolarHBondContact O-N 3.16Å
640	S	92.9	Very high	95.8	Very high	78 Å²	78	40.6 Å²	40.6	55%	0.545	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-16.4	176.5	51.3	0	0	0	0	115	P638 H643 V736	P638-S640 PolarHBondContact O-N 2.93Å; S640-H643 PolarHBondContact O-CE1 3.05Å; S640-V736 VanDerWaalsContact O-CG2 3.29Å; S640-V736 WeakPolarHBondContact O-CG2 3.39Å
641	V	95.4	Very high	95.7	Very high	10 Å²	10	40.6 Å²	40.6	6%	0.061	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-8.1	178.2	-42	0	0	0	0	112.6	L637 P638 P639 H643 L644 Q703 V736	L637-V641 HydrophobicContact CB-CG2 3.92Å; L637-V641 HydrophobicContact CD1-CG2 4.43Å; L637-V641 HydrophobicContact CD2-CG2 3.99Å; L637-V641 HydrophobicContact CG-CG2 4.35Å; P638-V641 HydrophobicContact CB-CG1 4.49Å; P638-V641 HydrophobicContact CB-CG2 4.44Å; P638-V641 HydrophobicContact CG-CG2 4.49Å; P638-V641 PolarHBondContact O-N 3.48Å; P639-V641 VanDerWaalsContact C-N 3.3Å; P639-V641 PolarHBondContact O-N 3.16Å; V641-H643 PolarHBondContact O-N 3.09Å; V641-L644 HydrophobicContact CB-CD1 4.13Å; V641-L644 VanDerWaalsContact O-CB 3.28Å; V641-L644 WeakPolarHBondContact O-CB 3.48Å; V641-L644 VanDerWaalsContact O-CG 3.26Å; V641-L644 WeakPolarHBondContact O-CG 3.42Å; V641-L644 PolarHBondContact O-N 2.95Å; V641-L644 VanDerWaalsContact O-N 3.08Å; V641-Q703 HydrophobicContact CB-CG 4.37Å; V641-Q703 HydrophobicContact CG2-CG 4.38Å; V641-V736 HydrophobicContact CB-CG1 4.38Å; V641-V736 HydrophobicContact CG1-CG1 3.96Å; V641-V736 HydrophobicContact CG1-CG2 4.45Å
642	R	95.6	Very high	95.6	Very high	30 Å²	30	39.9 Å²	39.9	11%	0.113	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-62.8	-26.7	-173.6	179.7	55.9	-173.9	96.5	-6.7	113.9	N630 D634 P638 L644 F645 G646	N630-R642 PolarHBondContact OD1-NH2 3.08Å; D634-R642 IonicContact OD1-CZ 3.58Å; D634-R642 IonicContact OD1-NE 3.47Å; D634-R642 PolarHBondContact OD1-NE 3.41Å; D634-R642 IonicContact OD1-NH2 2.68Å; D634-R642 PolarHBondContact OD1-NH2 3.47Å; P638-R642 PolarHBondContact O-N 3.48Å; R642-L644 PolarHBondContact O-N 2.93Å; R642-F645 PolarHBondContact NH1-O 2.96Å; R642-F645 PolarHBondContact O-N 3.06Å; R642-G646 PolarHBondContact NH1-O 3.36Å; R642-G646 PolarHBondContact NH2-O 3.33Å
643	H	94.6	Very high	95.5	Very high	40 Å²	40	40.5 Å²	40.5	19%	0.185	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-71.3	-7.9	176.5	66.4	-105.2	0	0	0	114.4	S640 V641 F645 V736 D737	S640-H643 PolarHBondContact O-CE1 3.05Å; V641-H643 PolarHBondContact O-N 3.09Å; H643-F645 PolarHBondContact O-N 3.2Å; H643-V736 PolarHBondContact NE2-O 3.31Å; H643-D737 IonicContact CE1-OD1 3.7Å; H643-D737 PolarHBondContact CE1-OD1 3.41Å; H643-D737 IonicContact NE2-OD1 2.73Å
644	L	96.2	Very high	95.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-70.2	-11.5	172.4	-64.5	176.7	0	0	0	112.8	V641 R642 T700 Q703 V736 H738 V741 L742	V641-L644 HydrophobicContact CB-CD1 4.13Å; V641-L644 VanDerWaalsContact O-CB 3.28Å; V641-L644 WeakPolarHBondContact O-CB 3.48Å; V641-L644 VanDerWaalsContact O-CG 3.26Å; V641-L644 WeakPolarHBondContact O-CG 3.42Å; V641-L644 PolarHBondContact O-N 2.95Å; V641-L644 VanDerWaalsContact O-N 3.08Å; R642-L644 PolarHBondContact O-N 2.93Å; L644-T700 HydrophobicContact CB-CG2 4.23Å; L644-Q703 HydrophobicContact CD1-CB 4.48Å; L644-Q703 HydrophobicContact CD1-CG 3.95Å; L644-V736 HydrophobicContact CD1-CB 4.21Å; L644-V736 HydrophobicContact CD1-CG1 3.99Å; L644-V736 HydrophobicContact CD2-CB 4.4Å; L644-V736 VanDerWaalsContact CD2-O 3.31Å; L644-V736 WeakPolarHBondContact CD2-O 3.31Å; L644-V736 HydrophobicContact CG-CB 4.48Å; L644-H738 WeakPolarHBondContact CD2-CE1 3.44Å; L644-H738 WeakPolarHBondContact CD2-NE2 3.48Å; L644-V741 WeakPolarHBondContact O-CA 3.46Å; L644-L742 PolarHBondContact O-N 3.3Å
645	F	97.2	Very high	95.3	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.018	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-129.1	149.4	-176.8	-49.9	-84.6	0	0	0	110.1	L633 L637 R642 H643 T700 Q703 L704 V741 L742	L633-F645 HydrophobicContact CD1-CB 4.03Å; L633-F645 HydrophobicContact CD1-CD1 4.44Å; L633-F645 HydrophobicContact CD1-CG 4.16Å; L637-F645 HydrophobicContact CD1-CD2 3.43Å; L637-F645 VanDerWaalsContact CD1-CD2 3.43Å; L637-F645 HydrophobicContact CD1-CE2 3.36Å; L637-F645 HydrophobicContact CD1-CG 4.49Å; L637-F645 HydrophobicContact CD1-CZ 4.36Å; R642-F645 PolarHBondContact NH1-O 2.96Å; R642-F645 PolarHBondContact O-N 3.06Å; H643-F645 PolarHBondContact O-N 3.2Å; F645-T700 HydrophobicContact CD1-CG2 4.36Å; F645-T700 HydrophobicContact CE1-CG2 3.71Å; F645-T700 HydrophobicContact CZ-CG2 3.99Å; F645-T700 VanDerWaalsContact CZ-O 3.31Å; F645-T700 WeakPolarHBondContact CZ-O 3.33Å; F645-Q703 HydrophobicContact CE2-CB 4.39Å; F645-Q703 HydrophobicContact CZ-CB 4.27Å; F645-L704 HydrophobicContact CD1-CD1 4.29Å; F645-L704 HydrophobicContact CE1-CB 3.84Å; F645-L704 HydrophobicContact CE1-CD1 3.75Å; F645-L704 HydrophobicContact CE1-CD2 4.33Å; F645-L704 HydrophobicContact CE1-CG 4.18Å; F645-L704 HydrophobicContact CZ-CB 3.89Å; F645-L704 HydrophobicContact CZ-CD1 4.18Å; F645-V741 VanDerWaalsContact C-CG1 3.41Å; F645-L742 CarbonylContact C-O 3.6Å; F645-L742 WeakPolarHBondContact CA-O 3.46Å; F645-L742 HydrophobicContact CD1-CB 4.05Å; F645-L742 HydrophobicContact CD1-CD2 4.26Å; F645-L742 HydrophobicContact CD1-CG 4.47Å; F645-L742 HydrophobicContact CE1-CB 4.48Å; F645-L742 HydrophobicContact CE1-CD2 4.11Å
646	G	94	Very high	95.2	Very high	12 Å²	12	43 Å²	43	12%	0.124	23%	0.233	C	C	.	.			trans	-54.7	144.3	176	0	0	0	0	0	112	N630 R642 L742	N630-G646 PolarHBondContact OD1-O 2.75Å; R642-G646 PolarHBondContact NH1-O 3.36Å; R642-G646 PolarHBondContact NH2-O 3.33Å; G646-L742 PolarHBondContact N-O 3.34Å
647	S	93.4	Very high	95	Very high	41 Å²	41	39 Å²	39	29%	0.287	22%	0.217	S	C	.	.			trans	-108.1	118.4	175.6	-175.8	0	0	0	0	110.3	G662 E663	S647-G662 WeakPolarHBondContact O-CA 3.45Å; S647-E663 PolarHBondContact O-N 3.16Å; S647-E663 VanDerWaalsContact O-N 3.11Å
648	I	95.7	Very high	95	Very high	21 Å²	21	38.2 Å²	38.2	11%	0.108	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	108.7	172	-53.3	174.9	0	0	0	108.4	E626 F627 N630 S650 M660 L661	E626-I648 HydrophobicContact CG-CD1 4.12Å; F627-I648 HydrophobicContact CD2-CB 4.07Å; F627-I648 HydrophobicContact CD2-CG2 3.65Å; F627-I648 HydrophobicContact CE2-CB 4.37Å; F627-I648 HydrophobicContact CE2-CG2 4.01Å; N630-I648 HydrophobicContact CB-CB 4.3Å; N630-I648 HydrophobicContact CB-CD1 3.82Å; N630-I648 HydrophobicContact CB-CG1 4.14Å; N630-I648 PolarHBondContact OD1-N 2.82Å; I648-S650 WeakPolarHBondContact CG2-O 3.26Å; I648-M660 HydrophobicContact CD1-SD 3.87Å; I648-M660 HydrophobicContact CG2-CB 3.94Å; I648-M660 HydrophobicContact CG2-CG 4.25Å; I648-L661 CarbonylContact C-O 3.38Å
649	R	93.6	Very high	95	Very high	119 Å²	119	35.1 Å²	35.1	45%	0.449	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-36.7	-179.3	-60.7	-179.1	177.7	-174.3	-1	112.2	C564 L661	C564-R649 VanDerWaalsContact CB-O 3.24Å; C564-R649 WeakPolarHBondContact CB-O 3.33Å; C564-R649 PolarHBondContact SG-O 3.08Å; R649-L661 PolarHBondContact N-O 2.76Å
650	S	94.4	Very high	95.1	Very high	14 Å²	14	29.5 Å²	29.5	10%	0.098	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	155	171.9	63.5	0	0	0	0	112.7	C564 I648 H652 M660 L661	C564-S650 CarbonylContact O-C 3.53Å; C564-S650 VanDerWaalsContact O-CA 3.24Å; C564-S650 WeakPolarHBondContact O-CA 3.49Å; C564-S650 VanDerWaalsContact O-CB 3.28Å; C564-S650 WeakPolarHBondContact O-CB 3.43Å; I648-S650 WeakPolarHBondContact CG2-O 3.26Å; S650-H652 PolarHBondContact OG-CD2 3.02Å; S650-H652 PolarHBondContact OG-NE2 3.4Å; S650-M660 WeakPolarHBondContact O-CA 3.22Å; S650-L661 PolarHBondContact N-O 2.89Å; S650-L661 PolarHBondContact O-N 3.09Å; S650-L661 WeakPolarHBondContact OG-CD1 3.48Å
651	A	96.5	Very high	95.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135	171.2	0	0	0	0	0	110.4	C564 C565 Y566 F627 M660	C564-A651 PolarHBondContact O-N 3.08Å; C565-A651 WeakPolarHBondContact CA-O 3.2Å; Y566-A651 PolarHBondContact N-O 3.34Å; F627-A651 HydrophobicContact CB-CB 3.77Å; F627-A651 HydrophobicContact CD1-CB 3.84Å; F627-A651 HydrophobicContact CD2-CB 3.62Å; F627-A651 HydrophobicContact CE1-CB 4.38Å; F627-A651 HydrophobicContact CE2-CB 4.17Å; F627-A651 HydrophobicContact CG-CB 3.43Å; F627-A651 VanDerWaalsContact CG-CB 3.43Å; A651-M660 HydrophobicContact CB-CG 4.32Å
652	H	95.5	Very high	95.1	Very high	7 Å²	7	26.4 Å²	26.4	3%	0.032	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	108.6	-179.2	-61.6	-109.6	0	0	0	107.6	Y566 W568 M583 S650 F654 S658 I659	Y566-H652 AromaticContact CD2-CE1 3.38Å; Y566-H652 WeakPolarHBondContact CD2-CE1 3.47Å; Y566-H652 AromaticContact CD2-ND1 3.78Å; Y566-H652 AromaticContact CD2-NE2 3.67Å; Y566-H652 AromaticContact CE2-CE1 3.96Å; Y566-H652 AromaticContact CG-CE1 3.93Å; Y566-H652 AromaticContact CG-ND1 3.99Å; Y566-H652 CarbonylContact O-C 3.45Å; Y566-H652 WeakPolarHBondContact O-CA 3.23Å; W568-H652 AromaticContact CE2-ND1 3.91Å; W568-H652 AromaticContact CZ2-ND1 3.84Å; W568-H652 AromaticContact NE1-CG 3.87Å; W568-H652 AromaticContact NE1-ND1 3.44Å; W568-H652 PolarHBondContact NE1-ND1 3.11Å; M583-H652 HydrophobicContact CE-CB 3.83Å; S650-H652 PolarHBondContact OG-CD2 3.02Å; S650-H652 PolarHBondContact OG-NE2 3.4Å; H652-F654 HydrophobicContact CB-CE2 3.75Å; H652-F654 HydrophobicContact CB-CZ 4.33Å; H652-F654 VanDerWaalsContact O-CD2 3.32Å; H652-F654 WeakPolarHBondContact O-CD2 3.46Å; H652-F654 WeakPolarHBondContact O-CE2 3.35Å; H652-S658 CarbonylContact O-C 3.5Å; H652-S658 WeakPolarHBondContact O-CA 3.32Å; H652-I659 HydrophobicContact CB-CB 4.31Å; H652-I659 PolarHBondContact N-O 3.14Å; H652-I659 PolarHBondContact O-N 2.93Å
653	L	95.9	Very high	95	Very high	24 Å²	24	29.2 Å²	29.2	13%	0.126	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125.7	-173.7	-53.5	179.6	0	0	0	109.8	T560 Y566 W568 P624	T560-L653 HydrophobicContact CG2-CD1 4.5Å; Y566-L653 PolarHBondContact O-N 3.33Å; W568-L653 PolarHBondContact N-O 3.06Å; P624-L653 HydrophobicContact CB-CD1 4.03Å; P624-L653 HydrophobicContact CB-CD2 4.16Å
654	F	95.6	Very high	94.8	Very high	19 Å²	19	28.2 Å²	28.2	8%	0.083	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	169.7	-178.6	-62.7	-98.9	0	0	0	109.8	W568 C570 V572 H652 D656 G657 I659	W568-F654 HydrophobicContact CB-CD1 3.58Å; W568-F654 HydrophobicContact CB-CE1 3.73Å; W568-F654 HydrophobicContact CB-CG 4.18Å; W568-F654 HydrophobicContact CB-CZ 4.43Å; W568-F654 AromaticContact CD1-CE1 3.94Å; W568-F654 AromaticContact CD1-CE2 3.97Å; W568-F654 AromaticContact CD1-CZ 3.77Å; W568-F654 HydrophobicContact CD2-CE1 4.35Å; W568-F654 HydrophobicContact CG-CD1 4.03Å; W568-F654 AromaticContact CG-CE1 3.7Å; W568-F654 HydrophobicContact CG-CE1 3.7Å; W568-F654 AromaticContact CG-CZ 3.97Å; W568-F654 HydrophobicContact CG-CZ 3.97Å; C570-F654 WeakPolarHBondContact O-CB 3.14Å; V572-F654 HydrophobicContact CB-CB 4.49Å; V572-F654 HydrophobicContact CB-CG 4.4Å; V572-F654 HydrophobicContact CG2-CB 3.63Å; V572-F654 HydrophobicContact CG2-CD2 3.81Å; V572-F654 HydrophobicContact CG2-CG 3.78Å; H652-F654 HydrophobicContact CB-CE2 3.75Å; H652-F654 HydrophobicContact CB-CZ 4.33Å; H652-F654 VanDerWaalsContact O-CD2 3.32Å; H652-F654 WeakPolarHBondContact O-CD2 3.46Å; H652-F654 WeakPolarHBondContact O-CE2 3.35Å; F654-D656 PolarHBondContact O-N 2.85Å; F654-G657 CarbonylContact C-O 3.29Å; F654-G657 WeakPolarHBondContact CA-O 3.27Å; F654-G657 WeakPolarHBondContact CB-O 3.34Å; F654-G657 PolarHBondContact N-O 3.33Å; F654-I659 HydrophobicContact CD2-CD1 4.46Å; F654-I659 HydrophobicContact CD2-CG1 4.33Å; F654-I659 HydrophobicContact CE2-CB 4.22Å; F654-I659 HydrophobicContact CE2-CD1 3.54Å; F654-I659 HydrophobicContact CE2-CG1 3.73Å; F654-I659 HydrophobicContact CZ-CD1 3.84Å
655	L	93.5	Very high	94.4	Very high	136 Å²	136	29.4 Å²	29.4	71%	0.712	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.9	-176.7	-62.9	178	0	0	0	114.3	C570	C570-L655 PolarHBondContact O-N 2.74Å
656	D	93.9	Very high	93.6	Very high	60 Å²	60	30.1 Å²	30.1	32%	0.321	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.5	6.8	-176.8	74.5	-36.3	0	0	0	114.1	A571 V572 K620 F654	A571-D656 VanDerWaalsContact CA-OD1 3.23Å; A571-D656 WeakPolarHBondContact CA-OD1 3.48Å; A571-D656 WeakPolarHBondContact CB-OD1 3.47Å; V572-D656 PolarHBondContact N-OD1 2.83Å; K620-D656 WeakPolarHBondContact CE-OD2 3.38Å; K620-D656 WeakPolarHBondContact CG-O 3.24Å; K620-D656 IonicContact NZ-OD1 3.41Å; K620-D656 IonicContact NZ-OD2 2.67Å; K620-D656 PolarHBondContact NZ-OD2 3.21Å; F654-D656 PolarHBondContact O-N 2.85Å
657	G	95.2	Very high	93.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.1	178.2	-172.5	0	0	0	0	0	115.2	Q619 A622 F654	Q619-G657 CarbonylContact O-C 3.56Å; Q619-G657 WeakPolarHBondContact O-CA 3.28Å; A622-G657 VanDerWaalsContact CB-C 3.47Å; A622-G657 WeakPolarHBondContact CB-O 3.36Å; F654-G657 CarbonylContact C-O 3.29Å; F654-G657 WeakPolarHBondContact CA-O 3.27Å; F654-G657 WeakPolarHBondContact CB-O 3.34Å; F654-G657 PolarHBondContact N-O 3.33Å
658	S	95.9	Very high	93	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	148.4	175.7	46.8	0	0	0	0	111.6	V618 Q619 N623 H652	V618-S658 WeakPolarHBondContact CA-O 3.44Å; Q619-S658 PolarHBondContact N-O 3.33Å; Q619-S658 PolarHBondContact O-N 2.92Å; Q619-S658 PolarHBondContact OE1-OG 2.87Å; N623-S658 PolarHBondContact N-OG 3.34Å; H652-S658 CarbonylContact O-C 3.5Å; H652-S658 WeakPolarHBondContact O-CA 3.32Å
659	I	95.8	Very high	92.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.5	168.1	-54.7	172.6	0	0	0	107.9	V572 P573 I575 M583 L616 K617 H652 F654 L661	V572-I659 HydrophobicContact CG1-CD1 4.21Å; V572-I659 HydrophobicContact CG1-CG1 4.19Å; P573-I659 HydrophobicContact CG-CD1 4.4Å; I575-I659 HydrophobicContact CD1-CD1 3.68Å; I575-I659 HydrophobicContact CD1-CG1 4.08Å; M583-I659 HydrophobicContact CE-CB 4.13Å; M583-I659 HydrophobicContact CE-CD1 4Å; M583-I659 HydrophobicContact CE-CG2 3.89Å; M583-I659 HydrophobicContact SD-CD1 4.27Å; L616-I659 HydrophobicContact CD1-CG2 4.2Å; L616-I659 HydrophobicContact CD2-CG2 3.59Å; L616-I659 HydrophobicContact CG-CG2 3.61Å; K617-I659 CarbonylContact O-C 3.56Å; K617-I659 WeakPolarHBondContact O-CA 3.48Å; H652-I659 HydrophobicContact CB-CB 4.31Å; H652-I659 PolarHBondContact N-O 3.14Å; H652-I659 PolarHBondContact O-N 2.93Å; F654-I659 HydrophobicContact CD2-CD1 4.46Å; F654-I659 HydrophobicContact CD2-CG1 4.33Å; F654-I659 HydrophobicContact CE2-CB 4.22Å; F654-I659 HydrophobicContact CE2-CD1 3.54Å; F654-I659 HydrophobicContact CE2-CG1 3.73Å; F654-I659 HydrophobicContact CZ-CD1 3.84Å; I659-L661 HydrophobicContact CG2-CD2 4.29Å
660	M	95.8	Very high	93	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.02	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.9	173.2	-65.6	166.5	-165.3	0	0	109.9	L616 K617 N623 E626 I648 S650 A651	L616-M660 WeakPolarHBondContact CA-O 3.33Å; K617-M660 HydrophobicContact CB-CB 4.36Å; K617-M660 PolarHBondContact N-O 2.99Å; K617-M660 PolarHBondContact O-N 2.85Å; N623-M660 HydrophobicContact CB-CE 4.42Å; N623-M660 WeakPolarHBondContact O-CE 3.16Å; E626-M660 HydrophobicContact CB-CE 3.77Å; E626-M660 HydrophobicContact CB-SD 4.16Å; E626-M660 HydrophobicContact CG-CE 4.36Å; E626-M660 HydrophobicContact CG-SD 4.09Å; I648-M660 HydrophobicContact CD1-SD 3.87Å; I648-M660 HydrophobicContact CG2-CB 3.94Å; I648-M660 HydrophobicContact CG2-CG 4.25Å; S650-M660 WeakPolarHBondContact O-CA 3.22Å; A651-M660 HydrophobicContact CB-CG 4.32Å
661	L	95.1	Very high	93	Very high	14 Å²	14	25 Å²	25	7%	0.073	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122	174	-56.8	-176.3	0	0	0	108.6	L588 M614 V615 L616 I648 R649 S650 I659	L588-L661 HydrophobicContact CD1-CD1 3.6Å; L588-L661 HydrophobicContact CD1-CD2 3.62Å; L588-L661 HydrophobicContact CD1-CG 4.29Å; M614-L661 HydrophobicContact SD-CB 4.46Å; M614-L661 HydrophobicContact SD-CD1 4.34Å; M614-L661 HydrophobicContact SD-CD2 4.35Å; V615-L661 CarbonylContact O-C 3.59Å; V615-L661 WeakPolarHBondContact O-CA 3.43Å; L616-L661 HydrophobicContact CB-CD2 4.11Å; L616-L661 HydrophobicContact CD1-CD2 3.83Å; L616-L661 HydrophobicContact CG-CD2 3.76Å; I648-L661 CarbonylContact C-O 3.38Å; R649-L661 PolarHBondContact N-O 2.76Å; S650-L661 PolarHBondContact N-O 2.89Å; S650-L661 PolarHBondContact O-N 3.09Å; S650-L661 WeakPolarHBondContact OG-CD1 3.48Å; I659-L661 HydrophobicContact CG2-CD2 4.29Å
662	G	94.3	Very high	92.8	Very high	9 Å²	9	26.7 Å²	26.7	9%	0.093	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	172.9	-173.8	0	0	0	0	0	114.1	M614 V615 S647	M614-G662 WeakPolarHBondContact CB-O 3.49Å; V615-G662 PolarHBondContact N-O 2.83Å; V615-G662 PolarHBondContact O-N 2.86Å; S647-G662 WeakPolarHBondContact O-CA 3.45Å
663	E	92	Very high	92.7	Very high	89 Å²	89	26.4 Å²	26.4	42%	0.416	14%	0.14	S	C	.	.			trans	-64.4	150.9	174.1	-164.5	171.6	133.7	0	0	112.5	V615 S647 H665	V615-E663 WeakPolarHBondContact CG2-O 3.23Å; S647-E663 PolarHBondContact O-N 3.16Å; S647-E663 VanDerWaalsContact O-N 3.11Å; E663-H665 IonicContact OE1-CE1 3.64Å; E663-H665 PolarHBondContact OE1-CE1 2.84Å; E663-H665 IonicContact OE1-ND1 3.39Å
664	L	90.9	Very high	92.6	Very high	19 Å²	19	25.5 Å²	25.5	10%	0.099	14%	0.135	C	C	.	.			trans	-109.6	102.4	-179.1	178.4	66.4	0	0	0	111.7	L594 Q604 R613 V615 N666	L594-L664 HydrophobicContact CD1-CD1 3.68Å; Q604-L664 HydrophobicContact CG-CD2 4.07Å; R613-L664 HydrophobicContact CB-CD2 3.7Å; V615-L664 HydrophobicContact CG2-CB 4.18Å; V615-L664 HydrophobicContact CG2-CD1 3.61Å; L664-N666 PolarHBondContact O-ND2 3.15Å
665	H	88.2	Confident	92.5	Very high	25 Å²	25	27.7 Å²	27.7	12%	0.116	15%	0.148	C	C	.	.			trans	-88.2	120.4	171.4	-48	-64.5	0	0	0	110	E663 L720	E663-H665 IonicContact OE1-CE1 3.64Å; E663-H665 PolarHBondContact OE1-CE1 2.84Å; E663-H665 IonicContact OE1-ND1 3.39Å; H665-L720 HydrophobicContact CB-CB 4.19Å; H665-L720 HydrophobicContact CB-CD1 4.17Å
666	N	81.1	Confident	92.3	Very high	20 Å²	20	22.7 Å²	22.7	11%	0.107	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-8.5	-163.6	-83.1	-92.8	0	0	0	115	R613 L664 H879	R613-N666 PolarHBondContact NH1-OD1 2.85Å; R613-N666 VanDerWaalsContact NH1-OD1 3.16Å; R613-N666 PolarHBondContact NH2-OD1 3.47Å; R613-N666 VanDerWaalsContact NH2-OD1 3.14Å; L664-N666 PolarHBondContact O-ND2 3.15Å; N666-H879 PolarHBondContact O-CD2 2.91Å; N666-H879 PolarHBondContact O-CE1 3.34Å; N666-H879 PolarHBondContact O-ND1 2.93Å; N666-H879 PolarHBondContact O-NE2 2.89Å; N666-H879 VanDerWaalsContact O-NE2 3.16Å; N666-H879 PolarHBondContact OD1-NE2 3.11Å
667	Y	85	Confident	92.2	Very high	38 Å²	38	20.4 Å²	20.4	15%	0.149	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	13.1	-167.1	-46.5	-64.7	0	0	0	114.9	L721 E723 L726 L876	Y667-L721 WeakPolarHBondContact CD2-O 3.31Å; Y667-E723 HydrophobicContact CE2-CB 4.45Å; Y667-E723 HydrophobicContact CE2-CG 3.68Å; Y667-L726 HydrophobicContact CD1-CD1 4.25Å; Y667-L726 HydrophobicContact CD2-CD1 4.22Å; Y667-L726 HydrophobicContact CD2-CD2 4.12Å; Y667-L726 HydrophobicContact CD2-CG 4.18Å; Y667-L726 HydrophobicContact CE1-CD1 3.71Å; Y667-L726 HydrophobicContact CE2-CD1 3.68Å; Y667-L726 HydrophobicContact CE2-CD2 4.37Å; Y667-L726 HydrophobicContact CE2-CG 3.95Å; Y667-L726 HydrophobicContact CG-CD1 4.49Å; Y667-L726 HydrophobicContact CG-CD2 4.21Å; Y667-L876 HydrophobicContact CD1-CD2 4.08Å; Y667-L876 HydrophobicContact CE1-CD2 3.66Å
668	G	89.2	Confident	91.9	Very high	17 Å²	17	26 Å²	26	18%	0.175	13%	0.13	C	C	.	.			trans	77.8	-172.1	173.2	0	0	0	0	0	114.5	L720 L721	G668-L720 WeakPolarHBondContact O-CA 3.33Å; G668-L721 PolarHBondContact O-N 3.14Å
669	T	93.7	Very high	91.5	Very high	24 Å²	24	30.3 Å²	30.3	15%	0.147	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-85.4	161.5	-176.8	66.5	0	0	0	0	112.5	L671 N672 A673 D717 F719 L720	T669-L671 PolarHBondContact O-N 3.12Å; T669-L671 PolarHBondContact OG1-N 3.27Å; T669-N672 WeakPolarHBondContact O-CA 3.5Å; T669-N672 VanDerWaalsContact O-CB 3.3Å; T669-N672 WeakPolarHBondContact O-CB 3.5Å; T669-N672 PolarHBondContact O-N 2.89Å; T669-N672 PolarHBondContact OG1-N 3.21Å; T669-N672 PolarHBondContact OG1-ND2 3.14Å; T669-A673 PolarHBondContact O-N 3.35Å; T669-D717 WeakPolarHBondContact CG2-O 3.26Å; T669-F719 CarbonylContact C-O 3.56Å; T669-F719 VanDerWaalsContact CA-O 3.3Å; T669-F719 WeakPolarHBondContact CA-O 3.24Å; T669-L720 HydrophobicContact CG2-CD2 3.8Å
670	L	95.6	Very high	90.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.5	-29.3	170.1	-173.4	61.2	0	0	0	111.2	A673 V674 M685 F693 I697 P716 F719 T792 L796	L670-A673 HydrophobicContact CD1-CB 4.44Å; L670-A673 WeakPolarHBondContact O-CB 3.26Å; L670-A673 PolarHBondContact O-N 3.34Å; L670-V674 PolarHBondContact O-N 2.96Å; L670-M685 HydrophobicContact CD1-CE 4.47Å; L670-F693 HydrophobicContact CD1-CD1 4.17Å; L670-F693 HydrophobicContact CD1-CD2 3.86Å; L670-F693 HydrophobicContact CD1-CE1 4.21Å; L670-F693 HydrophobicContact CD1-CE2 3.92Å; L670-F693 HydrophobicContact CD1-CG 3.99Å; L670-F693 HydrophobicContact CD1-CZ 4.08Å; L670-I697 HydrophobicContact CD2-CD1 3.95Å; L670-P716 WeakPolarHBondContact CB-O 3.46Å; L670-P716 PolarHBondContact N-O 3.27Å; L670-F719 HydrophobicContact CB-CB 3.91Å; L670-F719 HydrophobicContact CD2-CB 4.19Å; L670-F719 HydrophobicContact CD2-CD2 4.46Å; L670-F719 PolarHBondContact N-O 3.04Å; L670-T792 HydrophobicContact CD2-CG2 4.22Å; L670-L796 HydrophobicContact CD1-CD2 4.02Å; L670-L796 HydrophobicContact CD2-CD1 4.49Å; L670-L796 HydrophobicContact CD2-CD2 4.03Å; L670-L796 HydrophobicContact CG-CD2 3.85Å
671	L	94.6	Very high	89.3	Confident	21 Å²	21	36.4 Å²	36.4	11%	0.11	20%	0.201	C	C	.	.	H	α-helix	trans	-63.1	-38.3	167.9	-167.7	65	0	0	0	112.6	T669 A673 V674 N675 P716 D717	T669-L671 PolarHBondContact O-N 3.12Å; T669-L671 PolarHBondContact OG1-N 3.27Å; L671-A673 VanDerWaalsContact C-N 3.27Å; L671-A673 PolarHBondContact O-N 2.66Å; L671-V674 PolarHBondContact O-N 3.4Å; L671-N675 WeakPolarHBondContact O-CB 3.43Å; L671-N675 PolarHBondContact O-N 3.46Å; L671-P716 HydrophobicContact CB-CB 3.92Å; L671-P716 HydrophobicContact CD1-CB 4.18Å; L671-P716 PolarHBondContact N-O 2.84Å; L671-D717 WeakPolarHBondContact CD2-OD1 3.45Å
672	N	92.2	Very high	87.7	Confident	35 Å²	35	43.2 Å²	43.2	19%	0.187	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-37.5	173.3	-67.3	178	0	0	0	111.3	T669 N675 L676 R882	T669-N672 WeakPolarHBondContact O-CA 3.5Å; T669-N672 VanDerWaalsContact O-CB 3.3Å; T669-N672 WeakPolarHBondContact O-CB 3.5Å; T669-N672 PolarHBondContact O-N 2.89Å; T669-N672 PolarHBondContact OG1-N 3.21Å; T669-N672 PolarHBondContact OG1-ND2 3.14Å; N672-N675 PolarHBondContact O-N 3.24Å; N672-L676 WeakPolarHBondContact O-CG 3.37Å; N672-L676 PolarHBondContact O-N 3.11Å; N672-R882 PolarHBondContact OD1-NH1 3.11Å; N672-R882 PolarHBondContact OD1-NH2 3.4Å
673	A	93.3	Very high	86.9	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66.8	-39.4	174	0	0	0	0	0	112.8	T669 L670 L671 L676 F677 M685 L721 L871 L875	T669-A673 PolarHBondContact O-N 3.35Å; L670-A673 HydrophobicContact CD1-CB 4.44Å; L670-A673 WeakPolarHBondContact O-CB 3.26Å; L670-A673 PolarHBondContact O-N 3.34Å; L671-A673 VanDerWaalsContact C-N 3.27Å; L671-A673 PolarHBondContact O-N 2.66Å; A673-L676 PolarHBondContact O-N 3.1Å; A673-F677 VanDerWaalsContact O-CD2 3.26Å; A673-F677 WeakPolarHBondContact O-CD2 3.42Å; A673-F677 PolarHBondContact O-N 2.96Å; A673-M685 HydrophobicContact CB-CE 4.21Å; A673-L721 HydrophobicContact CB-CD1 4.19Å; A673-L871 HydrophobicContact CB-CD1 4.3Å; A673-L875 HydrophobicContact CB-CD2 4.44Å
674	V	93.9	Very high	86.8	Confident	5 Å²	5	49 Å²	49	3%	0.03	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-48.2	172.6	172.2	0	0	0	0	111.2	L670 L671 L676 F677 R678 M685 L796	L670-V674 PolarHBondContact O-N 2.96Å; L671-V674 PolarHBondContact O-N 3.4Å; V674-L676 VanDerWaalsContact C-N 3.31Å; V674-L676 PolarHBondContact O-N 3.4Å; V674-F677 PolarHBondContact O-N 2.87Å; V674-F677 VanDerWaalsContact O-N 3.13Å; V674-R678 PolarHBondContact O-N 3.3Å; V674-R678 VanDerWaalsContact O-N 3.15Å; V674-M685 HydrophobicContact CG2-CE 4.25Å; V674-L796 HydrophobicContact CG2-CD2 3.57Å
675	N	92.4	Very high	87	Confident	66 Å²	66	48.3 Å²	48.3	35%	0.353	26%	0.256	S	S	.	.	H	α-helix	trans	-66.2	-32.1	-178.2	-70.6	-17.3	0	0	0	112.5	L671 N672 F677 R678 A679	L671-N675 WeakPolarHBondContact O-CB 3.43Å; L671-N675 PolarHBondContact O-N 3.46Å; N672-N675 PolarHBondContact O-N 3.24Å; N675-F677 VanDerWaalsContact C-N 3.34Å; N675-F677 PolarHBondContact O-N 2.82Å; N675-R678 PolarHBondContact O-N 3Å; N675-A679 WeakPolarHBondContact O-CB 3.35Å; N675-A679 PolarHBondContact O-N 3.4Å
676	L	91.3	Very high	87.3	Confident	30 Å²	30	48.7 Å²	48.7	16%	0.157	26%	0.26	C	S	.	.	H	α-helix	trans	-59.8	-39.5	171	-85.5	173.2	0	0	0	112.9	N672 A673 V674 Q680 Q874 L875 N878	N672-L676 WeakPolarHBondContact O-CG 3.37Å; N672-L676 PolarHBondContact O-N 3.11Å; A673-L676 PolarHBondContact O-N 3.1Å; V674-L676 VanDerWaalsContact C-N 3.31Å; V674-L676 PolarHBondContact O-N 3.4Å; L676-Q680 WeakPolarHBondContact O-CG 3.38Å; L676-Q680 PolarHBondContact O-NE2 3.45Å; L676-Q874 HydrophobicContact CD1-CB 4.44Å; L676-L875 HydrophobicContact CD1-CD2 3.84Å; L676-L875 HydrophobicContact CD1-CG 4.38Å; L676-N878 HydrophobicContact CD1-CB 4.37Å; L676-N878 HydrophobicContact CD2-CB 4.17Å
677	F	90.6	Very high	87.9	Confident	12 Å²	12	49.6 Å²	49.6	5%	0.053	27%	0.267	C	S	.	.	H	α-helix	trans	-71.2	-43	176.5	-77.2	-69.6	0	0	0	111.9	A673 V674 N675 A679 Q680 R683 M685 P686 L689 L871	A673-F677 VanDerWaalsContact O-CD2 3.26Å; A673-F677 WeakPolarHBondContact O-CD2 3.42Å; A673-F677 PolarHBondContact O-N 2.96Å; V674-F677 PolarHBondContact O-N 2.87Å; V674-F677 VanDerWaalsContact O-N 3.13Å; N675-F677 VanDerWaalsContact C-N 3.34Å; N675-F677 PolarHBondContact O-N 2.82Å; F677-A679 VanDerWaalsContact C-N 3.35Å; F677-A679 PolarHBondContact O-N 2.85Å; F677-Q680 PolarHBondContact O-N 3.43Å; F677-Q680 VanDerWaalsContact O-N 3.13Å; F677-R683 CarbonylContact C-O 3.59Å; F677-R683 WeakPolarHBondContact CB-O 3.46Å; F677-R683 VanDerWaalsContact O-O 3.1Å; F677-M685 HydrophobicContact CD2-CB 3.95Å; F677-M685 HydrophobicContact CD2-CE 4.07Å; F677-M685 HydrophobicContact CD2-CG 3.92Å; F677-M685 HydrophobicContact CE2-CB 4.31Å; F677-M685 HydrophobicContact CE2-CE 4.05Å; F677-M685 HydrophobicContact CE2-CG 3.76Å; F677-M685 HydrophobicContact CG-CB 4.49Å; F677-M685 HydrophobicContact CZ-CG 4.48Å; F677-P686 VanDerWaalsContact CE1-CD 3.45Å; F677-P686 HydrophobicContact CE1-CG 3.95Å; F677-P686 HydrophobicContact CZ-CG 4.27Å; F677-L689 HydrophobicContact CE2-CD1 4.23Å; F677-L689 HydrophobicContact CZ-CD1 3.78Å; F677-L871 HydrophobicContact CE2-CD1 3.89Å; F677-L871 HydrophobicContact CE2-CD2 4.34Å; F677-L871 HydrophobicContact CZ-CD1 4.18Å
678	R	89.4	Confident	88.4	Confident	118 Å²	118	48.2 Å²	48.2	45%	0.445	26%	0.263	S	S	.	.	H	α-helix	trans	-55.3	-49.2	177.2	-70.3	-179.1	62.7	-175.8	-11.4	111.6	V674 N675 Q680 D682 R683 G799	V674-R678 PolarHBondContact O-N 3.3Å; V674-R678 VanDerWaalsContact O-N 3.15Å; N675-R678 PolarHBondContact O-N 3Å; R678-Q680 PolarHBondContact O-N 2.89Å; R678-Q680 VanDerWaalsContact O-N 3.13Å; R678-D682 PolarHBondContact O-N 3.23Å; R678-D682 VanDerWaalsContact O-N 3.14Å; R678-R683 PolarHBondContact N-O 2.94Å; R678-G799 WeakPolarHBondContact CD-O 3.32Å; R678-G799 PolarHBondContact NH1-O 3.45Å
679	A	86.4	Confident	88.7	Confident	90 Å²	90	47.4 Å²	47.4	74%	0.744	25%	0.254	S	S	*	.	H	α-helix	trans	-62.1	-19.5	-179.1	0	0	0	0	0	114.5	N675 F677	N675-A679 WeakPolarHBondContact O-CB 3.35Å; N675-A679 PolarHBondContact O-N 3.4Å; F677-A679 VanDerWaalsContact C-N 3.35Å; F677-A679 PolarHBondContact O-N 2.85Å
680	Q	80.6	Confident	88.8	Confident	67 Å²	67	46.3 Å²	46.3	31%	0.313	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-15.4	-172.9	-80.3	172.8	61.4	0	0	115.5	L676 F677 R678 Q874	L676-Q680 WeakPolarHBondContact O-CG 3.38Å; L676-Q680 PolarHBondContact O-NE2 3.45Å; F677-Q680 PolarHBondContact O-N 3.43Å; F677-Q680 VanDerWaalsContact O-N 3.13Å; R678-Q680 PolarHBondContact O-N 2.89Å; R678-Q680 VanDerWaalsContact O-N 3.13Å; Q680-Q874 VanDerWaalsContact NE2-CD 3.27Å
681	S	65	Low	88.9	Confident	66 Å²	66	46.3 Å²	46.3	46%	0.462	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	157	58.7	166.2	38.3	0	0	0	0	111.5	R683	S681-R683 VanDerWaalsContact O-CG 3.31Å; S681-R683 WeakPolarHBondContact O-CG 3.45Å; S681-R683 PolarHBondContact O-N 3.36Å; S681-R683 PolarHBondContact OG-NE 3.2Å; S681-R683 PolarHBondContact OG-NH2 2.79Å
682	D	61.5	Low	89	Confident	156 Å²	156	45.5 Å²	45.5	83%	0.834	24%	0.243	S	C	*	.	S	Bend	trans	51.1	29.4	-174.6	-80.2	-34.9	0	0	0	114	R678	R678-D682 PolarHBondContact O-N 3.23Å; R678-D682 VanDerWaalsContact O-N 3.14Å
683	R	79	Confident	89.2	Confident	163 Å²	163	43.9 Å²	43.9	62%	0.615	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-87.2	127.7	-179.3	-55.9	-164	-171	-148.6	-0.6	109.6	F677 R678 S681	F677-R683 CarbonylContact C-O 3.59Å; F677-R683 WeakPolarHBondContact CB-O 3.46Å; F677-R683 VanDerWaalsContact O-O 3.1Å; R678-R683 PolarHBondContact N-O 2.94Å; S681-R683 VanDerWaalsContact O-CG 3.31Å; S681-R683 WeakPolarHBondContact O-CG 3.45Å; S681-R683 PolarHBondContact O-N 3.36Å; S681-R683 PolarHBondContact OG-NE 3.2Å; S681-R683 PolarHBondContact OG-NH2 2.79Å
684	V	89.6	Confident	89.4	Confident	57 Å²	57	43.9 Å²	43.9	35%	0.345	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-72.2	164.8	161.6	-60.7	0	0	0	0	110
685	M	94.1	Very high	89.6	Confident	5 Å²	5	43.8 Å²	43.8	3%	0.025	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-60.8	136.6	178.5	-175.3	178.4	-68.6	0	0	111	L670 A673 V674 F677 L689 V690 F693 L796	L670-M685 HydrophobicContact CD1-CE 4.47Å; A673-M685 HydrophobicContact CB-CE 4.21Å; V674-M685 HydrophobicContact CG2-CE 4.25Å; F677-M685 HydrophobicContact CD2-CB 3.95Å; F677-M685 HydrophobicContact CD2-CE 4.07Å; F677-M685 HydrophobicContact CD2-CG 3.92Å; F677-M685 HydrophobicContact CE2-CB 4.31Å; F677-M685 HydrophobicContact CE2-CE 4.05Å; F677-M685 HydrophobicContact CE2-CG 3.76Å; F677-M685 HydrophobicContact CG-CB 4.49Å; F677-M685 HydrophobicContact CZ-CG 4.48Å; M685-L689 HydrophobicContact CG-CB 3.82Å; M685-L689 HydrophobicContact CG-CD1 4.46Å; M685-L689 HydrophobicContact SD-CB 3.87Å; M685-V690 HydrophobicContact CB-CG2 3.75Å; M685-V690 HydrophobicContact CG-CG2 3.82Å; M685-V690 WeakPolarHBondContact O-CG2 3.32Å; M685-V690 HydrophobicContact SD-CG2 4.08Å; M685-F693 HydrophobicContact CE-CD2 4.14Å; M685-F693 HydrophobicContact CE-CE2 3.93Å; M685-F693 HydrophobicContact SD-CD2 3.55Å; M685-F693 VanDerWaalsContact SD-CD2 3.55Å; M685-F693 HydrophobicContact SD-CE2 3.7Å; M685-L796 WeakPolarHBondContact CB-O 3.42Å; M685-L796 HydrophobicContact CE-CD2 3.89Å; M685-L796 HydrophobicContact SD-CD2 4.16Å
686	P	94.1	Very high	89.8	Confident	32 Å²	32	40.9 Å²	40.9	21%	0.208	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-55.8	133.7	178.2	-28.8	35.3	0	0	0	112.8	F677 P688 L689 V690 L867	F677-P686 VanDerWaalsContact CE1-CD 3.45Å; F677-P686 HydrophobicContact CE1-CG 3.95Å; F677-P686 HydrophobicContact CZ-CG 4.27Å; P686-P688 VanDerWaalsContact C-N 3.31Å; P686-P688 WeakPolarHBondContact O-CD 3.48Å; P686-L689 HydrophobicContact CG-CD1 4.34Å; P686-L689 WeakPolarHBondContact O-CB 3.36Å; P686-L689 PolarHBondContact O-N 3.04Å; P686-V690 PolarHBondContact O-N 3.21Å; P686-L867 HydrophobicContact CB-CD1 4.23Å; P686-L867 HydrophobicContact CB-CD2 4.35Å; P686-L867 HydrophobicContact CG-CD2 4.3Å
687	P	94.4	Very high	90.2	Very high	40 Å²	40	39.5 Å²	39.5	26%	0.26	21%	0.211	S	C	.	.	H	α-helix	trans	-49	-35.3	-176.9	-29.6	34.4	0	0	0	116.9	L689 V690 L691 P821	P687-L689 VanDerWaalsContact C-N 3.34Å; P687-L689 PolarHBondContact O-N 3.04Å; P687-V690 PolarHBondContact O-N 3.49Å; P687-L691 WeakPolarHBondContact O-CB 3.44Å; P687-L691 WeakPolarHBondContact O-CG 3.48Å; P687-L691 PolarHBondContact O-N 3.07Å; P687-P821 HydrophobicContact CG-CG 4.12Å
688	P	95.1	Very high	90.6	Very high	8 Å²	8	38.9 Å²	38.9	5%	0.052	21%	0.209	C	C	.	.	H	α-helix	trans	-63.9	-36.1	175.3	-23.6	35.8	0	0	0	113.6	P686 H692 L856 Y860 L864 L867	P686-P688 VanDerWaalsContact C-N 3.31Å; P686-P688 WeakPolarHBondContact O-CD 3.48Å; P688-H692 WeakPolarHBondContact O-CB 3.49Å; P688-H692 PolarHBondContact O-N 3.16Å; P688-L856 HydrophobicContact CB-CD1 4.19Å; P688-L856 WeakPolarHBondContact O-CD1 3.49Å; P688-Y860 HydrophobicContact CB-CD2 4.24Å; P688-Y860 HydrophobicContact CB-CG 4.02Å; P688-Y860 HydrophobicContact CG-CD1 3.67Å; P688-Y860 HydrophobicContact CG-CD2 3.96Å; P688-Y860 HydrophobicContact CG-CE1 4.1Å; P688-Y860 HydrophobicContact CG-CE2 4.34Å; P688-Y860 HydrophobicContact CG-CG 3.59Å; P688-L864 HydrophobicContact CB-CD1 4.27Å; P688-L867 HydrophobicContact CB-CD1 3.82Å; P688-L867 HydrophobicContact CG-CD1 3.64Å
689	L	95.1	Very high	90.9	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-73.8	-37.4	176.3	-70	172.7	0	0	0	110.8	F677 M685 P686 P687 H692 F693 L864 L867 K868 L871	F677-L689 HydrophobicContact CE2-CD1 4.23Å; F677-L689 HydrophobicContact CZ-CD1 3.78Å; M685-L689 HydrophobicContact CG-CB 3.82Å; M685-L689 HydrophobicContact CG-CD1 4.46Å; M685-L689 HydrophobicContact SD-CB 3.87Å; P686-L689 HydrophobicContact CG-CD1 4.34Å; P686-L689 WeakPolarHBondContact O-CB 3.36Å; P686-L689 PolarHBondContact O-N 3.04Å; P687-L689 VanDerWaalsContact C-N 3.34Å; P687-L689 PolarHBondContact O-N 3.04Å; L689-H692 PolarHBondContact O-N 3.17Å; L689-F693 HydrophobicContact CB-CD2 4.5Å; L689-F693 HydrophobicContact CB-CE2 4.38Å; L689-F693 WeakPolarHBondContact O-CD2 3.48Å; L689-F693 PolarHBondContact O-N 2.63Å; L689-L864 HydrophobicContact CD2-CD1 4.1Å; L689-L867 HydrophobicContact CD1-CB 4.1Å; L689-L867 HydrophobicContact CD2-CB 4.22Å; L689-L867 HydrophobicContact CG-CB 4.02Å; L689-K868 HydrophobicContact CD2-CG 3.85Å; L689-L871 HydrophobicContact CD1-CB 4.4Å; L689-L871 HydrophobicContact CD1-CD2 4.18Å
690	V	97.1	Very high	91.5	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-63.6	-45.6	175.3	-175.2	0	0	0	0	111.5	M685 P686 P687 A694 V793 L796 L797 W826	M685-V690 HydrophobicContact CB-CG2 3.75Å; M685-V690 HydrophobicContact CG-CG2 3.82Å; M685-V690 WeakPolarHBondContact O-CG2 3.32Å; M685-V690 HydrophobicContact SD-CG2 4.08Å; P686-V690 PolarHBondContact O-N 3.21Å; P687-V690 PolarHBondContact O-N 3.49Å; V690-A694 VanDerWaalsContact O-CB 3.23Å; V690-A694 WeakPolarHBondContact O-CB 3.36Å; V690-A694 PolarHBondContact O-N 2.87Å; V690-V793 HydrophobicContact CG1-CG1 4.42Å; V690-L796 HydrophobicContact CB-CB 4.32Å; V690-L796 HydrophobicContact CG1-CB 3.64Å; V690-L796 HydrophobicContact CG1-CD1 4.18Å; V690-L796 HydrophobicContact CG2-CB 4Å; V690-L797 HydrophobicContact CB-CD2 4.31Å; V690-L797 HydrophobicContact CG1-CD2 3.64Å; V690-L797 HydrophobicContact CG1-CG 3.8Å; V690-L797 HydrophobicContact CG2-CD2 4.48Å; V690-W826 HydrophobicContact CG1-CH2 4.01Å; V690-W826 HydrophobicContact CG1-CZ2 4.27Å
691	L	97.3	Very high	92.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.6	-48	172.2	-78.3	168.1	0	0	0	111.4	P687 A694 I695 L825 W826 L852 V855 L856 Y860	P687-L691 WeakPolarHBondContact O-CB 3.44Å; P687-L691 WeakPolarHBondContact O-CG 3.48Å; P687-L691 PolarHBondContact O-N 3.07Å; L691-A694 PolarHBondContact O-N 3.06Å; L691-I695 VanDerWaalsContact O-CD1 3.23Å; L691-I695 WeakPolarHBondContact O-CD1 3.41Å; L691-I695 VanDerWaalsContact O-CG1 3.23Å; L691-I695 WeakPolarHBondContact O-CG1 3.33Å; L691-I695 PolarHBondContact O-N 3.09Å; L691-L825 HydrophobicContact CD2-CD2 4.31Å; L691-W826 HydrophobicContact CD2-CH2 3.68Å; L691-W826 HydrophobicContact CD2-CZ2 3.63Å; L691-W826 HydrophobicContact CG-CH2 4.13Å; L691-W826 HydrophobicContact CG-CZ2 3.85Å; L691-L852 HydrophobicContact CD2-CB 4.1Å; L691-L852 HydrophobicContact CD2-CD2 3.95Å; L691-L852 HydrophobicContact CD2-CG 4.48Å; L691-V855 HydrophobicContact CD1-CG1 4.14Å; L691-L856 HydrophobicContact CB-CB 4.27Å; L691-L856 HydrophobicContact CB-CD1 3.88Å; L691-L856 HydrophobicContact CB-CD2 4.32Å; L691-L856 HydrophobicContact CB-CG 4.4Å; L691-L856 HydrophobicContact CD1-CB 4.35Å; L691-L856 HydrophobicContact CD1-CD1 4.23Å; L691-Y860 HydrophobicContact CD1-CD2 3.79Å; L691-Y860 HydrophobicContact CD1-CE2 3.68Å
692	H	95.8	Very high	93.9	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.019	13%	0.125	C	C	.	.	H	α-helix	trans	-57.9	-52.2	179	179.2	30.7	0	0	0	111.8	P688 L689 A694 I695 C696 F731 L856 L864 K868	P688-H692 WeakPolarHBondContact O-CB 3.49Å; P688-H692 PolarHBondContact O-N 3.16Å; L689-H692 PolarHBondContact O-N 3.17Å; H692-A694 PolarHBondContact O-N 3.07Å; H692-I695 WeakPolarHBondContact O-CB 3.35Å; H692-I695 PolarHBondContact O-N 3.13Å; H692-C696 PolarHBondContact CE1-SG 2.92Å; H692-C696 PolarHBondContact O-N 3.31Å; H692-C696 VanDerWaalsContact O-N 3.09Å; H692-C696 PolarHBondContact O-SG 3.32Å; H692-F731 AromaticContact ND1-CD2 3.71Å; H692-L856 HydrophobicContact CB-CD2 4.01Å; H692-L864 HydrophobicContact CB-CD1 3.97Å; H692-L864 HydrophobicContact CB-CD2 4.42Å; H692-K868 WeakPolarHBondContact NE2-CE 3.4Å; H692-K868 PolarHBondContact NE2-NZ 3.16Å
693	F	97.2	Very high	95.6	Very high	1 Å²	1	19.2 Å²	19.2	0%	0.004	9%	0.094	C	C	.	.	H	α-helix	trans	-65.9	-37.2	179.2	-68.9	-53.1	0	0	0	112.5	L670 M685 L689 I695 C696 I697 L721 F725 L740 L796 L871	L670-F693 HydrophobicContact CD1-CD1 4.17Å; L670-F693 HydrophobicContact CD1-CD2 3.86Å; L670-F693 HydrophobicContact CD1-CE1 4.21Å; L670-F693 HydrophobicContact CD1-CE2 3.92Å; L670-F693 HydrophobicContact CD1-CG 3.99Å; L670-F693 HydrophobicContact CD1-CZ 4.08Å; M685-F693 HydrophobicContact CE-CD2 4.14Å; M685-F693 HydrophobicContact CE-CE2 3.93Å; M685-F693 HydrophobicContact SD-CD2 3.55Å; M685-F693 VanDerWaalsContact SD-CD2 3.55Å; M685-F693 HydrophobicContact SD-CE2 3.7Å; L689-F693 HydrophobicContact CB-CD2 4.5Å; L689-F693 HydrophobicContact CB-CE2 4.38Å; L689-F693 WeakPolarHBondContact O-CD2 3.48Å; L689-F693 PolarHBondContact O-N 2.63Å; F693-I695 VanDerWaalsContact C-N 3.34Å; F693-I695 PolarHBondContact O-N 3.29Å; F693-C696 PolarHBondContact O-N 3.19Å; F693-I697 WeakPolarHBondContact O-CB 3.36Å; F693-I697 WeakPolarHBondContact O-CD1 3.44Å; F693-I697 WeakPolarHBondContact O-CG1 3.36Å; F693-I697 PolarHBondContact O-N 3.34Å; F693-L721 HydrophobicContact CE1-CD2 3.91Å; F693-L721 HydrophobicContact CZ-CD2 4.18Å; F693-F725 HydrophobicContact CE1-CD2 4.15Å; F693-F725 AromaticContact CE1-CE2 3.46Å; F693-F725 HydrophobicContact CE1-CE2 3.46Å; F693-F725 VanDerWaalsContact CE1-CE2 3.46Å; F693-F725 AromaticContact CE1-CZ 3.91Å; F693-F725 HydrophobicContact CE1-CZ 3.91Å; F693-F725 AromaticContact CZ-CE2 3.68Å; F693-F725 HydrophobicContact CZ-CE2 3.68Å; F693-F725 AromaticContact CZ-CZ 3.62Å; F693-F725 HydrophobicContact CZ-CZ 3.62Å; F693-L740 HydrophobicContact CD1-CD1 3.9Å; F693-L740 HydrophobicContact CD1-CD2 4.12Å; F693-L740 HydrophobicContact CD1-CG 4.11Å; F693-L740 HydrophobicContact CE1-CD2 4.1Å; F693-L740 HydrophobicContact CE1-CG 4.41Å; F693-L796 HydrophobicContact CB-CD1 3.73Å; F693-L871 HydrophobicContact CE2-CD2 3.87Å; F693-L871 HydrophobicContact CZ-CD2 3.81Å
694	A	98.3	Very high	96.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.9	-41.2	174.6	0	0	0	0	0	112.3	V690 L691 H692 I697 L698 V793 L852	V690-A694 VanDerWaalsContact O-CB 3.23Å; V690-A694 WeakPolarHBondContact O-CB 3.36Å; V690-A694 PolarHBondContact O-N 2.87Å; L691-A694 PolarHBondContact O-N 3.06Å; H692-A694 PolarHBondContact O-N 3.07Å; A694-I697 PolarHBondContact O-N 3.08Å; A694-L698 WeakPolarHBondContact O-CB 3.48Å; A694-L698 WeakPolarHBondContact O-CG 3.44Å; A694-L698 PolarHBondContact O-N 2.9Å; A694-V793 HydrophobicContact CB-CG1 4.24Å; A694-V793 HydrophobicContact CB-CG2 3.72Å; A694-L852 HydrophobicContact CB-CD1 3.65Å
695	I	97.9	Very high	96.9	Very high	4 Å²	4	9.8 Å²	9.8	2%	0.021	5%	0.053	C	C	.	.	H	α-helix	trans	-61	-46.1	174.1	-70.2	156.3	0	0	0	111	L691 H692 F693 L698 H699 F731 R849 L852 A853 L856	L691-I695 VanDerWaalsContact O-CD1 3.23Å; L691-I695 WeakPolarHBondContact O-CD1 3.41Å; L691-I695 VanDerWaalsContact O-CG1 3.23Å; L691-I695 WeakPolarHBondContact O-CG1 3.33Å; L691-I695 PolarHBondContact O-N 3.09Å; H692-I695 WeakPolarHBondContact O-CB 3.35Å; H692-I695 PolarHBondContact O-N 3.13Å; F693-I695 VanDerWaalsContact C-N 3.34Å; F693-I695 PolarHBondContact O-N 3.29Å; I695-L698 PolarHBondContact O-N 3.26Å; I695-H699 WeakPolarHBondContact O-CB 3.3Å; I695-H699 PolarHBondContact O-N 2.68Å; I695-F731 HydrophobicContact CD1-CE2 4.01Å; I695-F731 HydrophobicContact CD1-CZ 3.84Å; I695-F731 HydrophobicContact CG2-CE2 4.02Å; I695-F731 HydrophobicContact CG2-CZ 4.25Å; I695-R849 HydrophobicContact CB-CG 4.49Å; I695-R849 HydrophobicContact CG2-CG 3.89Å; I695-R849 WeakPolarHBondContact O-CD 3.44Å; I695-L852 HydrophobicContact CD1-CB 4.05Å; I695-L852 HydrophobicContact CG1-CB 3.62Å; I695-A853 HydrophobicContact CD1-CB 3.97Å; I695-A853 HydrophobicContact CG1-CB 4.39Å; I695-L856 HydrophobicContact CD1-CB 4.17Å; I695-L856 HydrophobicContact CD1-CD2 3.5Å; I695-L856 HydrophobicContact CD1-CG 4.5Å
696	C	97.3	Very high	97	Very high	5 Å²	5	13 Å²	13	3%	0.034	8%	0.08	C	C	.	.	H	α-helix	trans	-65.5	-41.4	179	-63.1	0	0	0	0	112.9	H692 F693 H699 T700 H738 L740	H692-C696 PolarHBondContact CE1-SG 2.92Å; H692-C696 PolarHBondContact O-N 3.31Å; H692-C696 VanDerWaalsContact O-N 3.09Å; H692-C696 PolarHBondContact O-SG 3.32Å; F693-C696 PolarHBondContact O-N 3.19Å; C696-H699 PolarHBondContact O-N 2.74Å; C696-T700 WeakPolarHBondContact O-CB 3.22Å; C696-T700 PolarHBondContact O-N 3.31Å; C696-T700 PolarHBondContact O-OG1 3.18Å; C696-H738 HydrophobicContact CB-CB 4.33Å; C696-H738 WeakPolarHBondContact SG-CB 3.36Å; C696-L740 HydrophobicContact CB-CD1 3.86Å
697	I	98.4	Very high	97.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.6	-50.3	175.1	-71.8	162	0	0	0	109.9	L670 F693 A694 H699 T700 V701 F719 L740 I789 T792	L670-I697 HydrophobicContact CD2-CD1 3.95Å; F693-I697 WeakPolarHBondContact O-CB 3.36Å; F693-I697 WeakPolarHBondContact O-CD1 3.44Å; F693-I697 WeakPolarHBondContact O-CG1 3.36Å; F693-I697 PolarHBondContact O-N 3.34Å; A694-I697 PolarHBondContact O-N 3.08Å; I697-H699 VanDerWaalsContact C-N 3.27Å; I697-H699 PolarHBondContact O-N 2.85Å; I697-T700 PolarHBondContact O-N 3.02Å; I697-V701 WeakPolarHBondContact O-CG2 3.24Å; I697-V701 PolarHBondContact O-N 3.46Å; I697-F719 HydrophobicContact CB-CZ 4.26Å; I697-F719 HydrophobicContact CD1-CE2 4.33Å; I697-F719 HydrophobicContact CG1-CD1 4.46Å; I697-F719 HydrophobicContact CG1-CD2 4.38Å; I697-F719 HydrophobicContact CG1-CE1 4.06Å; I697-F719 HydrophobicContact CG1-CE2 3.96Å; I697-F719 HydrophobicContact CG1-CZ 3.8Å; I697-F719 HydrophobicContact CG2-CE2 4.21Å; I697-F719 HydrophobicContact CG2-CZ 3.85Å; I697-L740 HydrophobicContact CG1-CD1 3.99Å; I697-I789 HydrophobicContact CG2-CB 4.39Å; I697-I789 HydrophobicContact CG2-CG1 3.89Å; I697-I789 HydrophobicContact CG2-CG2 4.06Å; I697-T792 HydrophobicContact CD1-CG2 3.67Å
698	L	98.4	Very high	97.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-56.5	-41.4	176	-73.7	168.3	0	0	0	111.7	A694 I695 E702 I789 F829 L845 L848 R849 L852	A694-L698 WeakPolarHBondContact O-CB 3.48Å; A694-L698 WeakPolarHBondContact O-CG 3.44Å; A694-L698 PolarHBondContact O-N 2.9Å; I695-L698 PolarHBondContact O-N 3.26Å; L698-E702 WeakPolarHBondContact O-CB 3.38Å; L698-E702 PolarHBondContact O-N 3.48Å; L698-I789 HydrophobicContact CD2-CD1 4.46Å; L698-I789 HydrophobicContact CD2-CG2 4.18Å; L698-F829 HydrophobicContact CD1-CE2 4.18Å; L698-F829 HydrophobicContact CD2-CE2 4.37Å; L698-L845 HydrophobicContact CD2-CB 4.26Å; L698-L845 HydrophobicContact CD2-CD2 3.84Å; L698-L848 HydrophobicContact CD1-CB 4Å; L698-L848 HydrophobicContact CD2-CB 4.41Å; L698-L848 HydrophobicContact CD2-CD1 4.49Å; L698-R849 HydrophobicContact CB-CB 4.11Å; L698-R849 HydrophobicContact CB-CG 4.46Å; L698-R849 HydrophobicContact CD1-CB 4.08Å; L698-L852 HydrophobicContact CD1-CD1 3.82Å
699	H	97.3	Very high	97.5	Very high	14 Å²	14	14.4 Å²	14.4	7%	0.065	8%	0.081	C	C	.	.	H	α-helix	trans	-70.2	-40.5	179.6	-159.3	34.3	0	0	0	112.8	I695 C696 I697 V701 E702 Q703 V736 R849	I695-H699 WeakPolarHBondContact O-CB 3.3Å; I695-H699 PolarHBondContact O-N 2.68Å; C696-H699 PolarHBondContact O-N 2.74Å; I697-H699 VanDerWaalsContact C-N 3.27Å; I697-H699 PolarHBondContact O-N 2.85Å; H699-V701 VanDerWaalsContact C-N 3.33Å; H699-V701 PolarHBondContact O-N 2.81Å; H699-E702 IonicContact CE1-OE2 3.68Å; H699-E702 IonicContact CG-OE2 3.84Å; H699-E702 IonicContact ND1-OE2 2.66Å; H699-E702 PolarHBondContact ND1-OE2 3.36Å; H699-E702 WeakPolarHBondContact O-CB 3.16Å; H699-E702 PolarHBondContact O-N 3.3Å; H699-Q703 WeakPolarHBondContact O-CG 3.39Å; H699-Q703 PolarHBondContact O-N 2.74Å; H699-V736 VanDerWaalsContact NE2-CG1 3.31Å; H699-V736 WeakPolarHBondContact NE2-CG1 3.47Å; H699-R849 PolarHBondContact ND1-NE 3Å
700	T	98.1	Very high	97.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-59.8	-45.6	175.8	-57.4	0	0	0	0	110.5	L644 F645 C696 I697 Q703 L704 F719 H738 L742	L644-T700 HydrophobicContact CB-CG2 4.23Å; F645-T700 HydrophobicContact CD1-CG2 4.36Å; F645-T700 HydrophobicContact CE1-CG2 3.71Å; F645-T700 HydrophobicContact CZ-CG2 3.99Å; F645-T700 VanDerWaalsContact CZ-O 3.31Å; F645-T700 WeakPolarHBondContact CZ-O 3.33Å; C696-T700 WeakPolarHBondContact O-CB 3.22Å; C696-T700 PolarHBondContact O-N 3.31Å; C696-T700 PolarHBondContact O-OG1 3.18Å; I697-T700 PolarHBondContact O-N 3.02Å; T700-Q703 PolarHBondContact O-N 3.4Å; T700-L704 PolarHBondContact O-N 3.26Å; T700-L704 VanDerWaalsContact O-N 3.09Å; T700-F719 HydrophobicContact CG2-CE1 4.4Å; T700-H738 PolarHBondContact OG1-CE1 2.67Å; T700-L742 HydrophobicContact CG2-CB 3.92Å; T700-L742 HydrophobicContact CG2-CD2 4.11Å
701	V	98.4	Very high	97.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-74.6	-32.8	179.7	-176.3	0	0	0	0	112.1	I697 H699 Q703 L704 H705 I714 D785 I789 L845	I697-V701 WeakPolarHBondContact O-CG2 3.24Å; I697-V701 PolarHBondContact O-N 3.46Å; H699-V701 VanDerWaalsContact C-N 3.33Å; H699-V701 PolarHBondContact O-N 2.81Å; V701-Q703 VanDerWaalsContact C-N 3.3Å; V701-Q703 PolarHBondContact O-N 3Å; V701-L704 PolarHBondContact O-N 3.45Å; V701-L704 VanDerWaalsContact O-N 3.14Å; V701-H705 WeakPolarHBondContact CG1-CE1 3.19Å; V701-H705 VanDerWaalsContact CG1-NE2 3.25Å; V701-H705 WeakPolarHBondContact CG1-NE2 3.22Å; V701-H705 WeakPolarHBondContact O-CB 3.37Å; V701-H705 PolarHBondContact O-N 3.34Å; V701-I714 HydrophobicContact CG1-CD1 4.24Å; V701-I714 HydrophobicContact CG2-CD1 3.51Å; V701-D785 HydrophobicContact CG1-CB 4.29Å; V701-I789 HydrophobicContact CB-CD1 4Å; V701-I789 HydrophobicContact CG1-CD1 3.94Å; V701-I789 HydrophobicContact CG2-CD1 4.02Å; V701-I789 HydrophobicContact CG2-CG1 4.15Å; V701-L845 HydrophobicContact CB-CD1 4.31Å; V701-L845 HydrophobicContact CG1-CD1 3.95Å
702	E	97.2	Very high	97.6	Very high	29 Å²	29	15.2 Å²	15.2	14%	0.136	9%	0.087	C	C	.	.	H	α-helix	trans	-56.1	-41.7	169.1	175.7	-174	-165.8	0	0	111.8	L698 H699 A706 Q846 R849	L698-E702 WeakPolarHBondContact O-CB 3.38Å; L698-E702 PolarHBondContact O-N 3.48Å; H699-E702 IonicContact CE1-OE2 3.68Å; H699-E702 IonicContact CG-OE2 3.84Å; H699-E702 IonicContact ND1-OE2 2.66Å; H699-E702 PolarHBondContact ND1-OE2 3.36Å; H699-E702 WeakPolarHBondContact O-CB 3.16Å; H699-E702 PolarHBondContact O-N 3.3Å; E702-A706 WeakPolarHBondContact O-CB 3.5Å; E702-A706 PolarHBondContact O-N 3.12Å; E702-Q846 WeakPolarHBondContact OE1-CB 3.48Å; E702-Q846 WeakPolarHBondContact OE1-CG 3.33Å; E702-Q846 PolarHBondContact OE1-NE2 3.44Å; E702-R849 IonicContact OE1-NH2 3.08Å; E702-R849 PolarHBondContact OE1-NH2 3.14Å; E702-R849 VanDerWaalsContact OE1-NH2 3.08Å; E702-R849 IonicContact OE2-CZ 3.23Å; E702-R849 VanDerWaalsContact OE2-CZ 3.23Å; E702-R849 IonicContact OE2-NE 2.73Å; E702-R849 PolarHBondContact OE2-NE 3.39Å; E702-R849 IonicContact OE2-NH2 2.95Å; E702-R849 PolarHBondContact OE2-NH2 3.4Å
703	Q	97.8	Very high	97.5	Very high	40 Å²	40	15.5 Å²	15.5	19%	0.187	9%	0.089	C	C	.	.	H	α-helix	trans	-70.3	-37.7	173.5	-61.8	-49.9	-74.5	0	0	112.8	L637 V641 L644 F645 H699 T700 V701 A706 A707	L637-Q703 HydrophobicContact CD2-CB 4.46Å; V641-Q703 HydrophobicContact CB-CG 4.37Å; V641-Q703 HydrophobicContact CG2-CG 4.38Å; L644-Q703 HydrophobicContact CD1-CB 4.48Å; L644-Q703 HydrophobicContact CD1-CG 3.95Å; F645-Q703 HydrophobicContact CE2-CB 4.39Å; F645-Q703 HydrophobicContact CZ-CB 4.27Å; H699-Q703 WeakPolarHBondContact O-CG 3.39Å; H699-Q703 PolarHBondContact O-N 2.74Å; T700-Q703 PolarHBondContact O-N 3.4Å; V701-Q703 VanDerWaalsContact C-N 3.3Å; V701-Q703 PolarHBondContact O-N 3Å; Q703-A706 PolarHBondContact O-N 2.99Å; Q703-A707 PolarHBondContact O-N 3.05Å
704	L	98.2	Very high	97.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.1	-44.8	-180	-170.2	63.1	0	0	0	112.1	L633 F645 T700 V701 A706 A707 I709 H711 L742	L633-L704 HydrophobicContact CD2-CD1 3.52Å; F645-L704 HydrophobicContact CD1-CD1 4.29Å; F645-L704 HydrophobicContact CE1-CB 3.84Å; F645-L704 HydrophobicContact CE1-CD1 3.75Å; F645-L704 HydrophobicContact CE1-CD2 4.33Å; F645-L704 HydrophobicContact CE1-CG 4.18Å; F645-L704 HydrophobicContact CZ-CB 3.89Å; F645-L704 HydrophobicContact CZ-CD1 4.18Å; T700-L704 PolarHBondContact O-N 3.26Å; T700-L704 VanDerWaalsContact O-N 3.09Å; V701-L704 PolarHBondContact O-N 3.45Å; V701-L704 VanDerWaalsContact O-N 3.14Å; L704-A706 VanDerWaalsContact C-N 3.32Å; L704-A706 PolarHBondContact O-N 2.79Å; L704-A707 WeakPolarHBondContact O-CB 3.3Å; L704-A707 PolarHBondContact O-N 2.97Å; L704-A707 VanDerWaalsContact O-N 3.07Å; L704-I709 CarbonylContact C-O 3.48Å; L704-I709 HydrophobicContact CD1-CB 3.86Å; L704-I709 HydrophobicContact CD1-CG2 3.71Å; L704-I709 HydrophobicContact CG-CB 4.19Å; L704-I709 HydrophobicContact CG-CG2 4.12Å; L704-I709 PolarHBondContact O-N 3.2Å; L704-H711 HydrophobicContact CD2-CB 3.66Å; L704-L742 HydrophobicContact CD2-CD2 4.2Å
705	H	97.6	Very high	97.3	Very high	23 Å²	23	17.8 Å²	17.8	11%	0.106	10%	0.099	C	C	.	.	H	α-helix	trans	-68.7	-33.4	179.1	-67.5	-174.6	0	0	0	111.2	V701 A707 H708 I709 Y782 D785 Y786	V701-H705 WeakPolarHBondContact CG1-CE1 3.19Å; V701-H705 VanDerWaalsContact CG1-NE2 3.25Å; V701-H705 WeakPolarHBondContact CG1-NE2 3.22Å; V701-H705 WeakPolarHBondContact O-CB 3.37Å; V701-H705 PolarHBondContact O-N 3.34Å; H705-A707 PolarHBondContact O-N 3.38Å; H705-H708 WeakPolarHBondContact O-CA 3.44Å; H705-H708 PolarHBondContact O-N 3.36Å; H705-I709 PolarHBondContact CD2-O 2.87Å; H705-I709 VanDerWaalsContact CD2-O 3.27Å; H705-Y782 HydrophobicContact CB-CD1 4.1Å; H705-Y782 HydrophobicContact CB-CE1 4.04Å; H705-Y782 AromaticContact CD2-CD1 3.71Å; H705-Y782 AromaticContact CE1-CD1 3.8Å; H705-Y782 AromaticContact CG-CD1 3.57Å; H705-Y782 AromaticContact CG-CE1 3.96Å; H705-Y782 AromaticContact ND1-CD1 3.65Å; H705-Y782 AromaticContact NE2-CD1 3.83Å; H705-D785 IonicContact CD2-OD2 2.8Å; H705-D785 IonicContact CE1-OD2 3.84Å; H705-D785 IonicContact NE2-OD2 3.72Å; H705-D785 PolarHBondContact NE2-OD2 3.11Å; H705-Y786 AromaticContact CE1-CE2 3.56Å; H705-Y786 AromaticContact ND1-CE2 3.71Å
706	A	96.8	Very high	97.2	Very high	71 Å²	71	17.7 Å²	17.7	59%	0.587	10%	0.099	S	C	*	.	H	α-helix	trans	-65.6	-21.6	170.8	0	0	0	0	0	113.8	E702 Q703 L704 H708	E702-A706 WeakPolarHBondContact O-CB 3.5Å; E702-A706 PolarHBondContact O-N 3.12Å; Q703-A706 PolarHBondContact O-N 2.99Å; L704-A706 VanDerWaalsContact C-N 3.32Å; L704-A706 PolarHBondContact O-N 2.79Å; A706-H708 VanDerWaalsContact C-N 3.27Å
707	A	97.8	Very high	97	Very high	4 Å²	4	19.7 Å²	19.7	3%	0.033	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	8.7	170.5	0	0	0	0	0	113.5	R636 L637 Q703 L704 H705 I709	R636-A707 HydrophobicContact CB-CB 4.05Å; R636-A707 WeakPolarHBondContact CD-O 3.46Å; R636-A707 PolarHBondContact NH1-O 3Å; L637-A707 HydrophobicContact CD2-CB 3.91Å; L637-A707 HydrophobicContact CG-CB 4.45Å; Q703-A707 PolarHBondContact O-N 3.05Å; L704-A707 WeakPolarHBondContact O-CB 3.3Å; L704-A707 PolarHBondContact O-N 2.97Å; L704-A707 VanDerWaalsContact O-N 3.07Å; H705-A707 PolarHBondContact O-N 3.38Å; A707-I709 VanDerWaalsContact C-N 3.29Å; A707-I709 HydrophobicContact CB-CD1 4.38Å; A707-I709 PolarHBondContact O-N 3.2Å
708	H	97.5	Very high	96.9	Very high	107 Å²	107	20 Å²	20	50%	0.495	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	36.1	-174.3	-61.7	-87.3	0	0	0	113.8	H705 A706 M751 A752	H705-H708 WeakPolarHBondContact O-CA 3.44Å; H705-H708 PolarHBondContact O-N 3.36Å; A706-H708 VanDerWaalsContact C-N 3.27Å; H708-M751 HydrophobicContact CB-CB 4.39Å; H708-M751 WeakPolarHBondContact O-CB 3.32Å; H708-M751 PolarHBondContact O-N 3.36Å; H708-A752 HydrophobicContact CB-CB 4.31Å
709	I	98.3	Very high	96.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	140.2	176.4	-66.2	160.9	0	0	0	109.2	I629 C632 L633 L704 H705 A707 I749	I629-I709 HydrophobicContact CG2-CD1 4.34Å; I629-I709 HydrophobicContact CG2-CG2 4.09Å; C632-I709 HydrophobicContact CB-CD1 4.05Å; L633-I709 HydrophobicContact CD2-CD1 3.55Å; L633-I709 HydrophobicContact CG-CD1 4.11Å; L704-I709 CarbonylContact C-O 3.48Å; L704-I709 HydrophobicContact CD1-CB 3.86Å; L704-I709 HydrophobicContact CD1-CG2 3.71Å; L704-I709 HydrophobicContact CG-CB 4.19Å; L704-I709 HydrophobicContact CG-CG2 4.12Å; L704-I709 PolarHBondContact O-N 3.2Å; H705-I709 PolarHBondContact CD2-O 2.87Å; H705-I709 VanDerWaalsContact CD2-O 3.27Å; A707-I709 VanDerWaalsContact C-N 3.29Å; A707-I709 HydrophobicContact CB-CD1 4.38Å; A707-I709 PolarHBondContact O-N 3.2Å; I709-I749 WeakPolarHBondContact CA-O 3.41Å
710	V	98.1	Very high	96.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.8	168.9	-177.6	0	0	0	0	107.5	A712 S748 I749 M751 Y782 T784 D785	V710-A712 HydrophobicContact CG1-CB 4.49Å; V710-S748 CarbonylContact O-C 3.59Å; V710-S748 WeakPolarHBondContact O-CA 3.39Å; V710-S748 VanDerWaalsContact O-CB 3.22Å; V710-S748 WeakPolarHBondContact O-CB 3.43Å; V710-I749 HydrophobicContact CB-CB 4.3Å; V710-I749 PolarHBondContact N-O 3.46Å; V710-I749 PolarHBondContact O-N 3.4Å; V710-M751 HydrophobicContact CG2-CG 3.86Å; V710-M751 HydrophobicContact CG2-SD 4Å; V710-Y782 HydrophobicContact CG2-CD1 3.59Å; V710-Y782 HydrophobicContact CG2-CE1 3.79Å; V710-Y782 HydrophobicContact CG2-CG 4.07Å; V710-T784 HydrophobicContact CG1-CG2 3.57Å; V710-D785 WeakPolarHBondContact CG1-OD2 3.3Å
711	H	97.8	Very high	96.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.115	C	C	.	.			trans	-73.7	-37.3	179.6	-165.2	-95	0	0	0	112.5	L704 D713 I714 L742 I743 S748 D785	L704-H711 HydrophobicContact CD2-CB 3.66Å; H711-D713 PolarHBondContact CE1-O 3.41Å; H711-D713 VanDerWaalsContact ND1-C 3.28Å; H711-D713 PolarHBondContact ND1-N 3.15Å; H711-D713 PolarHBondContact ND1-O 3.47Å; H711-D713 VanDerWaalsContact ND1-O 3.16Å; H711-D713 PolarHBondContact O-N 3.23Å; H711-I714 HydrophobicContact CB-CD1 3.94Å; H711-I714 HydrophobicContact CB-CG1 3.58Å; H711-L742 HydrophobicContact CB-CD2 4.48Å; H711-I743 PolarHBondContact CE1-O 3.4Å; H711-I743 PolarHBondContact NE2-O 3Å; H711-S748 WeakPolarHBondContact CA-OG 3.35Å; H711-S748 WeakPolarHBondContact O-CA 3.08Å; H711-S748 PolarHBondContact O-N 2.88Å; H711-S748 PolarHBondContact O-OG 2.84Å; H711-S748 VanDerWaalsContact O-OG 3.06Å; H711-D785 PolarHBondContact N-OD1 3.47Å; H711-D785 PolarHBondContact N-OD2 2.92Å
712	A	95.3	Very high	96	Very high	17 Å²	17	20.8 Å²	20.8	14%	0.14	12%	0.116	C	C	.	.	S	Bend	trans	61.9	-22.5	-174.3	0	0	0	0	0	117.2	W543 V710 Q747 T784 D785	W543-A712 HydrophobicContact CZ2-CB 3.88Å; V710-A712 HydrophobicContact CG1-CB 4.49Å; A712-Q747 WeakPolarHBondContact CB-O 3.39Å; A712-T784 HydrophobicContact CB-CG2 4.07Å; A712-D785 WeakPolarHBondContact CA-OD1 3.27Å; A712-D785 PolarHBondContact N-OD1 3.19Å
713	D	94.1	Very high	95.5	Very high	10 Å²	10	24.6 Å²	24.6	5%	0.053	13%	0.134	C	C	.	.			trans	-120	54.1	-179.6	-168.9	11.6	0	0	0	112.1	H711 K715 N718 Q747	H711-D713 PolarHBondContact CE1-O 3.41Å; H711-D713 VanDerWaalsContact ND1-C 3.28Å; H711-D713 PolarHBondContact ND1-N 3.15Å; H711-D713 PolarHBondContact ND1-O 3.47Å; H711-D713 VanDerWaalsContact ND1-O 3.16Å; H711-D713 PolarHBondContact O-N 3.23Å; D713-K715 PolarHBondContact O-N 3.39Å; D713-K715 IonicContact OD1-NZ 2.7Å; D713-K715 PolarHBondContact OD1-NZ 3.38Å; D713-K715 IonicContact OD2-NZ 3.23Å; D713-K715 PolarHBondContact OD2-NZ 3.24Å; D713-N718 PolarHBondContact O-ND2 3.13Å; D713-N718 PolarHBondContact OD2-ND2 3.13Å; D713-Q747 HydrophobicContact CB-CB 4.24Å; D713-Q747 PolarHBondContact OD2-NE2 2.9Å
714	I	97.1	Very high	95.1	Very high	9 Å²	9	27.9 Å²	27.9	5%	0.046	14%	0.144	C	C	.	.			trans	-81.9	111	179.4	-57.1	-167.4	0	0	0	110	V701 H711 F719 D785 G788 I789	V701-I714 HydrophobicContact CG1-CD1 4.24Å; V701-I714 HydrophobicContact CG2-CD1 3.51Å; H711-I714 HydrophobicContact CB-CD1 3.94Å; H711-I714 HydrophobicContact CB-CG1 3.58Å; I714-F719 HydrophobicContact CG2-CE2 3.68Å; I714-F719 HydrophobicContact CG2-CZ 4.03Å; I714-D785 HydrophobicContact CD1-CB 3.58Å; I714-D785 VanDerWaalsContact CD1-CG 3.46Å; I714-D785 HydrophobicContact CG1-CB 4.37Å; I714-G788 CarbonylContact O-C 3.56Å; I714-G788 VanDerWaalsContact O-CA 3.24Å; I714-G788 WeakPolarHBondContact O-CA 3.32Å; I714-I789 HydrophobicContact CD1-CG1 4.36Å; I714-I789 HydrophobicContact CG2-CG1 4.43Å
715	K	94.7	Very high	94.6	Very high	40 Å²	40	28 Å²	28	17%	0.174	15%	0.145	C	C	.	.			trans	-148.5	161.2	179.9	60	178	179.5	-112.8	0	111.8	D713 D717 N718 F769 T792	D713-K715 PolarHBondContact O-N 3.39Å; D713-K715 IonicContact OD1-NZ 2.7Å; D713-K715 PolarHBondContact OD1-NZ 3.38Å; D713-K715 IonicContact OD2-NZ 3.23Å; D713-K715 PolarHBondContact OD2-NZ 3.24Å; K715-D717 HydrophobicContact CD-CB 4.21Å; K715-D717 HydrophobicContact CG-CB 4.21Å; K715-D717 PolarHBondContact O-N 3.04Å; K715-D717 VanDerWaalsContact O-N 3.09Å; K715-N718 WeakPolarHBondContact CE-ND2 3.37Å; K715-N718 VanDerWaalsContact CE-OD1 3.3Å; K715-N718 WeakPolarHBondContact CE-OD1 3.44Å; K715-N718 HydrophobicContact CG-CB 4.08Å; K715-N718 PolarHBondContact NZ-ND2 2.84Å; K715-N718 PolarHBondContact O-N 3.14Å; K715-F769 HydrophobicContact CD-CE1 4.23Å; K715-T792 WeakPolarHBondContact CA-OG1 3.16Å
716	P	95.7	Very high	94	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.019	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.2	179.5	-25	33.7	0	0	0	115.5	L670 L671 T792 C795	L670-P716 WeakPolarHBondContact CB-O 3.46Å; L670-P716 PolarHBondContact N-O 3.27Å; L671-P716 HydrophobicContact CB-CB 3.92Å; L671-P716 HydrophobicContact CD1-CB 4.18Å; L671-P716 PolarHBondContact N-O 2.84Å; P716-T792 HydrophobicContact CG-CG2 4.04Å; P716-C795 HydrophobicContact CG-CB 3.73Å
717	D	92.9	Very high	93.2	Very high	46 Å²	46	31.8 Å²	31.8	25%	0.246	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-34.7	175.8	-55.7	-88.7	0	0	0	112.8	T669 L671 K715 F719	T669-D717 WeakPolarHBondContact CG2-O 3.26Å; L671-D717 WeakPolarHBondContact CD2-OD1 3.45Å; K715-D717 HydrophobicContact CD-CB 4.21Å; K715-D717 HydrophobicContact CG-CB 4.21Å; K715-D717 PolarHBondContact O-N 3.04Å; K715-D717 VanDerWaalsContact O-N 3.09Å; D717-F719 VanDerWaalsContact C-N 3.27Å; D717-F719 PolarHBondContact O-N 3.47Å
718	N	95.6	Very high	92.3	Very high	7 Å²	7	33 Å²	33	4%	0.037	16%	0.158	C	C	.	.	S	Bend	trans	-84.8	0.6	-174.5	-73.6	1.1	0	0	0	112.9	D713 K715 L742 I743	D713-N718 PolarHBondContact O-ND2 3.13Å; D713-N718 PolarHBondContact OD2-ND2 3.13Å; K715-N718 WeakPolarHBondContact CE-ND2 3.37Å; K715-N718 VanDerWaalsContact CE-OD1 3.3Å; K715-N718 WeakPolarHBondContact CE-OD1 3.44Å; K715-N718 HydrophobicContact CG-CB 4.08Å; K715-N718 PolarHBondContact NZ-ND2 2.84Å; K715-N718 PolarHBondContact O-N 3.14Å; N718-L742 HydrophobicContact CB-CD1 4.28Å; N718-L742 CarbonylContact O-C 3.47Å; N718-L742 WeakPolarHBondContact O-CA 3.47Å; N718-L742 WeakPolarHBondContact O-CD1 3.28Å; N718-I743 WeakPolarHBondContact CB-O 3.24Å; N718-I743 VanDerWaalsContact O-CG1 3.23Å; N718-I743 WeakPolarHBondContact O-CG1 3.49Å; N718-I743 PolarHBondContact O-N 2.93Å
719	F	97.4	Very high	91	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	116.1	167.2	-72	-75.2	0	0	0	110.5	T669 L670 I697 T700 I714 D717 L740 V741 L742 T792	T669-F719 CarbonylContact C-O 3.56Å; T669-F719 VanDerWaalsContact CA-O 3.3Å; T669-F719 WeakPolarHBondContact CA-O 3.24Å; L670-F719 HydrophobicContact CB-CB 3.91Å; L670-F719 HydrophobicContact CD2-CB 4.19Å; L670-F719 HydrophobicContact CD2-CD2 4.46Å; L670-F719 PolarHBondContact N-O 3.04Å; I697-F719 HydrophobicContact CB-CZ 4.26Å; I697-F719 HydrophobicContact CD1-CE2 4.33Å; I697-F719 HydrophobicContact CG1-CD1 4.46Å; I697-F719 HydrophobicContact CG1-CD2 4.38Å; I697-F719 HydrophobicContact CG1-CE1 4.06Å; I697-F719 HydrophobicContact CG1-CE2 3.96Å; I697-F719 HydrophobicContact CG1-CZ 3.8Å; I697-F719 HydrophobicContact CG2-CE2 4.21Å; I697-F719 HydrophobicContact CG2-CZ 3.85Å; T700-F719 HydrophobicContact CG2-CE1 4.4Å; I714-F719 HydrophobicContact CG2-CE2 3.68Å; I714-F719 HydrophobicContact CG2-CZ 4.03Å; D717-F719 VanDerWaalsContact C-N 3.27Å; D717-F719 PolarHBondContact O-N 3.47Å; F719-L740 HydrophobicContact CB-CD2 4.44Å; F719-L740 HydrophobicContact CD1-CD1 4.39Å; F719-V741 WeakPolarHBondContact CA-O 3.47Å; F719-L742 HydrophobicContact CD1-CB 4.24Å; F719-L742 HydrophobicContact CD1-CD1 4.22Å; F719-L742 HydrophobicContact CE1-CB 3.98Å; F719-L742 HydrophobicContact CE1-CD1 3.88Å; F719-L742 HydrophobicContact CE1-CD2 4.42Å; F719-L742 HydrophobicContact CE1-CG 4.32Å; F719-L742 HydrophobicContact CE2-CD1 4.38Å; F719-L742 HydrophobicContact CZ-CD1 3.96Å; F719-T792 HydrophobicContact CD2-CG2 4.18Å; F719-T792 HydrophobicContact CE2-CG2 4.18Å
720	L	95.3	Very high	89.8	Confident	28 Å²	28	40.6 Å²	40.6	15%	0.147	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	152.9	171.5	-68.2	177.5	0	0	0	111.8	H665 G668 T669 L740 V741 I743	H665-L720 HydrophobicContact CB-CB 4.19Å; H665-L720 HydrophobicContact CB-CD1 4.17Å; G668-L720 WeakPolarHBondContact O-CA 3.33Å; T669-L720 HydrophobicContact CG2-CD2 3.8Å; L720-L740 WeakPolarHBondContact O-CA 3.38Å; L720-V741 PolarHBondContact N-O 2.66Å; L720-V741 PolarHBondContact O-N 2.69Å; L720-I743 HydrophobicContact CD1-CD1 3.81Å; L720-I743 HydrophobicContact CD1-CG1 4.26Å; L720-I743 HydrophobicContact CD1-CG2 3.89Å; L720-I743 HydrophobicContact CG-CD1 3.94Å; L720-I743 HydrophobicContact CG-CG1 4.18Å; L720-I743 HydrophobicContact CG-CG2 4.38Å
721	L	92.6	Very high	88.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	114.2	172.1	-69.7	157.3	0	0	0	109.3	Y667 G668 A673 F693 F725 L740 L875	Y667-L721 WeakPolarHBondContact CD2-O 3.31Å; G668-L721 PolarHBondContact O-N 3.14Å; A673-L721 HydrophobicContact CB-CD1 4.19Å; F693-L721 HydrophobicContact CE1-CD2 3.91Å; F693-L721 HydrophobicContact CZ-CD2 4.18Å; L721-F725 HydrophobicContact CD2-CB 4.34Å; L721-F725 HydrophobicContact CD2-CD1 3.79Å; L721-F725 HydrophobicContact CD2-CD2 3.97Å; L721-F725 HydrophobicContact CD2-CE1 4.07Å; L721-F725 HydrophobicContact CD2-CE2 4.25Å; L721-F725 HydrophobicContact CD2-CG 3.75Å; L721-F725 HydrophobicContact CD2-CZ 4.3Å; L721-L740 HydrophobicContact CD2-CD2 3.65Å; L721-L740 HydrophobicContact CG-CD2 4.25Å; L721-L875 HydrophobicContact CD1-CD1 3.82Å; L721-L875 HydrophobicContact CD1-CD2 4Å
722	G	88.4	Confident	88.3	Confident	3 Å²	3	47.5 Å²	47.5	3%	0.031	23%	0.228	C	C	.	.			trans	-93.6	175.2	-179.3	0	0	0	0	0	113.9	R724 F725 G739	G722-R724 VanDerWaalsContact C-N 3.3Å; G722-R724 PolarHBondContact O-N 3.39Å; G722-F725 WeakPolarHBondContact O-CB 3.34Å; G722-F725 PolarHBondContact O-N 2.91Å; G722-G739 PolarHBondContact N-O 2.85Å
723	E	86.6	Confident	87.5	Confident	109 Å²	109	47.7 Å²	47.7	51%	0.509	23%	0.23	S	C	.	.	H	α-helix	trans	-60	-38.5	-177.6	-71.6	171.5	-177.2	0	0	112.4	Y667 F725 L726 E727	Y667-E723 HydrophobicContact CE2-CB 4.45Å; Y667-E723 HydrophobicContact CE2-CG 3.68Å; E723-F725 PolarHBondContact O-N 3.47Å; E723-L726 WeakPolarHBondContact O-CB 3.28Å; E723-L726 PolarHBondContact O-N 3.39Å; E723-E727 PolarHBondContact O-N 3.18Å
724	R	88.4	Confident	87	Confident	108 Å²	108	51.4 Å²	51.4	41%	0.408	25%	0.25	S	C	.	.	H	α-helix	trans	-54.3	-26.8	173.6	-61.2	-179.3	-167.3	-106.6	-7.4	114	G722 L726 E727 N728 D737	G722-R724 VanDerWaalsContact C-N 3.3Å; G722-R724 PolarHBondContact O-N 3.39Å; R724-L726 VanDerWaalsContact C-N 3.32Å; R724-E727 PolarHBondContact O-N 3.42Å; R724-N728 VanDerWaalsContact O-CB 3.26Å; R724-N728 WeakPolarHBondContact O-CB 3.41Å; R724-N728 PolarHBondContact O-N 3.48Å; R724-D737 WeakPolarHBondContact CD-OD1 2.9Å; R724-D737 IonicContact CZ-OD1 3.05Å; R724-D737 IonicContact NE-OD1 2.74Å; R724-D737 IonicContact NH1-OD1 3.16Å; R724-D737 PolarHBondContact NH1-OD1 2.92Å
725	F	89.5	Confident	86.4	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.009	26%	0.256	C	S	.	.	H	α-helix	trans	-70.8	-29.1	176.5	-178.8	-100.7	0	0	0	112.4	F693 L721 G722 E723 L871 V872 L875	F693-F725 HydrophobicContact CE1-CD2 4.15Å; F693-F725 AromaticContact CE1-CE2 3.46Å; F693-F725 HydrophobicContact CE1-CE2 3.46Å; F693-F725 VanDerWaalsContact CE1-CE2 3.46Å; F693-F725 AromaticContact CE1-CZ 3.91Å; F693-F725 HydrophobicContact CE1-CZ 3.91Å; F693-F725 AromaticContact CZ-CE2 3.68Å; F693-F725 HydrophobicContact CZ-CE2 3.68Å; F693-F725 AromaticContact CZ-CZ 3.62Å; F693-F725 HydrophobicContact CZ-CZ 3.62Å; L721-F725 HydrophobicContact CD2-CB 4.34Å; L721-F725 HydrophobicContact CD2-CD1 3.79Å; L721-F725 HydrophobicContact CD2-CD2 3.97Å; L721-F725 HydrophobicContact CD2-CE1 4.07Å; L721-F725 HydrophobicContact CD2-CE2 4.25Å; L721-F725 HydrophobicContact CD2-CG 3.75Å; L721-F725 HydrophobicContact CD2-CZ 4.3Å; G722-F725 WeakPolarHBondContact O-CB 3.34Å; G722-F725 PolarHBondContact O-N 2.91Å; E723-F725 PolarHBondContact O-N 3.47Å; F725-L871 HydrophobicContact CE1-CD2 4.38Å; F725-L871 HydrophobicContact CE1-CG 4.49Å; F725-L871 HydrophobicContact CZ-CD2 4.11Å; F725-V872 HydrophobicContact CD1-CG2 4.15Å; F725-V872 HydrophobicContact CE1-CG2 3.95Å; F725-L875 HydrophobicContact CD1-CD1 4.45Å; F725-L875 HydrophobicContact CE1-CD1 4.09Å
726	L	84.4	Confident	86.1	Confident	38 Å²	38	51 Å²	51	20%	0.199	25%	0.254	C	S	.	.	H	α-helix	trans	-78.1	-35.6	175.7	-45.6	-164.1	0	0	0	111.4	Y667 E723 R724 V872 L876	Y667-L726 HydrophobicContact CD1-CD1 4.25Å; Y667-L726 HydrophobicContact CD2-CD1 4.22Å; Y667-L726 HydrophobicContact CD2-CD2 4.12Å; Y667-L726 HydrophobicContact CD2-CG 4.18Å; Y667-L726 HydrophobicContact CE1-CD1 3.71Å; Y667-L726 HydrophobicContact CE2-CD1 3.68Å; Y667-L726 HydrophobicContact CE2-CD2 4.37Å; Y667-L726 HydrophobicContact CE2-CG 3.95Å; Y667-L726 HydrophobicContact CG-CD1 4.49Å; Y667-L726 HydrophobicContact CG-CD2 4.21Å; E723-L726 WeakPolarHBondContact O-CB 3.28Å; E723-L726 PolarHBondContact O-N 3.39Å; R724-L726 VanDerWaalsContact C-N 3.32Å; L726-V872 HydrophobicContact CB-CG1 4.46Å; L726-V872 HydrophobicContact CD2-CB 4.37Å; L726-V872 HydrophobicContact CD2-CG1 4.02Å; L726-V872 HydrophobicContact CD2-CG2 3.81Å; L726-L876 HydrophobicContact CD1-CD2 4.18Å
727	E	80.7	Confident	85.8	Confident	136 Å²	136	54.2 Å²	54.2	64%	0.636	27%	0.272	S	S	*	.	H	α-helix	trans	-77	-44.7	-176.9	-62.8	173.8	147.2	0	0	112.1	E723 R724 R729	E723-E727 PolarHBondContact O-N 3.18Å; R724-E727 PolarHBondContact O-N 3.42Å; E727-R729 PolarHBondContact O-N 2.96Å
728	N	77.7	Confident	85.7	Confident	30 Å²	30	52.3 Å²	52.3	16%	0.16	26%	0.261	C	S	.	.			trans	-76.7	88	-175.5	-169.8	-11.7	0	0	0	111.8	R724 S730 D737 K868	R724-N728 VanDerWaalsContact O-CB 3.26Å; R724-N728 WeakPolarHBondContact O-CB 3.41Å; R724-N728 PolarHBondContact O-N 3.48Å; N728-S730 VanDerWaalsContact C-N 3.34Å; N728-S730 PolarHBondContact OD1-N 3.02Å; N728-S730 PolarHBondContact OD1-O 3.44Å; N728-S730 PolarHBondContact OD1-OG 3.08Å; N728-D737 WeakPolarHBondContact CB-O 3.28Å; N728-D737 PolarHBondContact ND2-O 2.75Å; N728-K868 WeakPolarHBondContact O-CE 3.32Å; N728-K868 PolarHBondContact O-NZ 2.79Å
729	R	70.9	Confident	85.4	Confident	189 Å²	189	52.1 Å²	52.1	71%	0.713	26%	0.26	S	S	*	.			trans	-74.7	-22.4	177	-63.2	-178	-178	-158.7	-0.3	113.8	E727	E727-R729 PolarHBondContact O-N 2.96Å
730	S	71.6	Confident	85.3	Confident	78 Å²	78	52.1 Å²	52.1	55%	0.545	26%	0.261	S	S	.	.	S	Bend	trans	-78.5	175.2	177.2	33.1	0	0	0	0	112.5	N728 K868	N728-S730 VanDerWaalsContact C-N 3.34Å; N728-S730 PolarHBondContact OD1-N 3.02Å; N728-S730 PolarHBondContact OD1-O 3.44Å; N728-S730 PolarHBondContact OD1-OG 3.08Å; S730-K868 PolarHBondContact O-NZ 3.13Å
731	F	80.8	Confident	85.4	Confident	52 Å²	52	51.1 Å²	51.1	23%	0.228	26%	0.256	C	S	.	.			trans	-123.6	126.1	160.7	167.5	-105.8	0	0	0	108.5	H692 I695 A733 A853 L856 L864	H692-F731 AromaticContact ND1-CD2 3.71Å; I695-F731 HydrophobicContact CD1-CE2 4.01Å; I695-F731 HydrophobicContact CD1-CZ 3.84Å; I695-F731 HydrophobicContact CG2-CE2 4.02Å; I695-F731 HydrophobicContact CG2-CZ 4.25Å; F731-A733 HydrophobicContact CE1-CB 4.04Å; F731-A733 HydrophobicContact CZ-CB 3.81Å; F731-A853 HydrophobicContact CE1-CB 4.44Å; F731-A853 HydrophobicContact CZ-CB 4Å; F731-L856 HydrophobicContact CD1-CD2 4.25Å; F731-L856 HydrophobicContact CD2-CD2 3.9Å; F731-L856 HydrophobicContact CE1-CD2 4.05Å; F731-L856 HydrophobicContact CE1-CG 4.46Å; F731-L856 HydrophobicContact CE2-CD2 3.69Å; F731-L856 HydrophobicContact CG-CD2 4.18Å; F731-L856 HydrophobicContact CZ-CD2 3.78Å; F731-L864 HydrophobicContact CB-CD2 3.54Å; F731-L864 HydrophobicContact CD2-CD2 4.24Å; F731-L864 HydrophobicContact CG-CD2 3.9Å
732	D	83.8	Confident	85.6	Confident	92 Å²	92	51.1 Å²	51.1	49%	0.492	26%	0.256	S	S	.	.			trans	-115.4	138.6	165.8	-173.2	-14.9	0	0	0	106.8	D734 G735	D732-D734 PolarHBondContact OD1-N 2.94Å; D732-G735 PolarHBondContact OD1-N 3.32Å; D732-G735 VanDerWaalsContact OD1-N 3.16Å; D732-G735 WeakPolarHBondContact OD2-CA 3.32Å; D732-G735 PolarHBondContact OD2-N 3.43Å
733	A	78.6	Confident	86	Confident	21 Å²	21	53.2 Å²	53.2	17%	0.174	27%	0.265	C	S	.	.	S	Bend	trans	-85.2	-27.1	-178.2	0	0	0	0	0	113	F731 R849 A853	F731-A733 HydrophobicContact CE1-CB 4.04Å; F731-A733 HydrophobicContact CZ-CB 3.81Å; A733-R849 PolarHBondContact O-NH1 2.87Å; A733-A853 HydrophobicContact CB-CB 3.68Å
734	D	83.8	Confident	86.3	Confident	89 Å²	89	50.1 Å²	50.1	48%	0.476	25%	0.252	S	S	.	.	S	Bend	trans	-115	3.2	179.6	-68.5	-68.6	0	0	0	111.7	D732 R849	D732-D734 PolarHBondContact OD1-N 2.94Å; D734-R849 IonicContact OD1-CZ 3.45Å; D734-R849 IonicContact OD1-NH1 2.7Å; D734-R849 PolarHBondContact OD1-NH1 2.98Å; D734-R849 IonicContact OD1-NH2 3.27Å; D734-R849 PolarHBondContact OD1-NH2 2.99Å
735	G	85.8	Confident	86.6	Confident	17 Å²	17	45.2 Å²	45.2	18%	0.175	23%	0.234	C	C	.	.			trans	-84.8	124.9	178.8	0	0	0	0	0	114.1	D732 D737	D732-G735 PolarHBondContact OD1-N 3.32Å; D732-G735 VanDerWaalsContact OD1-N 3.16Å; D732-G735 WeakPolarHBondContact OD2-CA 3.32Å; D732-G735 PolarHBondContact OD2-N 3.43Å; G735-D737 VanDerWaalsContact C-N 3.34Å; G735-D737 PolarHBondContact O-N 3.14Å
736	V	86.9	Confident	86.8	Confident	22 Å²	22	45.9 Å²	45.9	13%	0.133	24%	0.242	C	C	.	.	S	Bend	trans	-78	-9.9	178.8	-68.2	0	0	0	0	114.7	S640 V641 H643 L644 H699 H738	S640-V736 VanDerWaalsContact O-CG2 3.29Å; S640-V736 WeakPolarHBondContact O-CG2 3.39Å; V641-V736 HydrophobicContact CB-CG1 4.38Å; V641-V736 HydrophobicContact CG1-CG1 3.96Å; V641-V736 HydrophobicContact CG1-CG2 4.45Å; H643-V736 PolarHBondContact NE2-O 3.31Å; L644-V736 HydrophobicContact CD1-CB 4.21Å; L644-V736 HydrophobicContact CD1-CG1 3.99Å; L644-V736 HydrophobicContact CD2-CB 4.4Å; L644-V736 VanDerWaalsContact CD2-O 3.31Å; L644-V736 WeakPolarHBondContact CD2-O 3.31Å; L644-V736 HydrophobicContact CG-CB 4.48Å; H699-V736 VanDerWaalsContact NE2-CG1 3.31Å; H699-V736 WeakPolarHBondContact NE2-CG1 3.47Å; V736-H738 PolarHBondContact O-N 2.72Å
737	D	89.2	Confident	87.1	Confident	72 Å²	72	47.2 Å²	47.2	39%	0.385	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	29.7	-179.5	-76.3	-58.7	0	0	0	114.3	H643 R724 N728 G735 G739	H643-D737 IonicContact CE1-OD1 3.7Å; H643-D737 PolarHBondContact CE1-OD1 3.41Å; H643-D737 IonicContact NE2-OD1 2.73Å; R724-D737 WeakPolarHBondContact CD-OD1 2.9Å; R724-D737 IonicContact CZ-OD1 3.05Å; R724-D737 IonicContact NE-OD1 2.74Å; R724-D737 IonicContact NH1-OD1 3.16Å; R724-D737 PolarHBondContact NH1-OD1 2.92Å; N728-D737 WeakPolarHBondContact CB-O 3.28Å; N728-D737 PolarHBondContact ND2-O 2.75Å; G735-D737 VanDerWaalsContact C-N 3.34Å; G735-D737 PolarHBondContact O-N 3.14Å; D737-G739 VanDerWaalsContact C-N 3.32Å; D737-G739 PolarHBondContact O-N 2.72Å
738	H	90.9	Very high	87.9	Confident	6 Å²	6	40.8 Å²	40.8	3%	0.028	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-14.1	-178.4	57.5	69.2	0	0	0	114.5	L644 C696 T700 V736 L740	L644-H738 WeakPolarHBondContact CD2-CE1 3.44Å; L644-H738 WeakPolarHBondContact CD2-NE2 3.48Å; C696-H738 HydrophobicContact CB-CB 4.33Å; C696-H738 WeakPolarHBondContact SG-CB 3.36Å; T700-H738 PolarHBondContact OG1-CE1 2.67Å; V736-H738 PolarHBondContact O-N 2.72Å; H738-L740 PolarHBondContact ND1-N 2.72Å; H738-L740 PolarHBondContact O-N 2.79Å
739	G	90.8	Very high	88.9	Confident	2 Å²	2	39.4 Å²	39.4	2%	0.021	21%	0.21	C	C	.	.			trans	74.3	21.8	170.3	0	0	0	0	0	116.7	G722 D737	G722-G739 PolarHBondContact N-O 2.85Å; D737-G739 VanDerWaalsContact C-N 3.32Å; D737-G739 PolarHBondContact O-N 2.72Å
740	L	94.8	Very high	90.1	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	144.2	156.4	-76.6	-177.6	0	0	0	108.1	F693 C696 I697 F719 L720 L721 H738	F693-L740 HydrophobicContact CD1-CD1 3.9Å; F693-L740 HydrophobicContact CD1-CD2 4.12Å; F693-L740 HydrophobicContact CD1-CG 4.11Å; F693-L740 HydrophobicContact CE1-CD2 4.1Å; F693-L740 HydrophobicContact CE1-CG 4.41Å; C696-L740 HydrophobicContact CB-CD1 3.86Å; I697-L740 HydrophobicContact CG1-CD1 3.99Å; F719-L740 HydrophobicContact CB-CD2 4.44Å; F719-L740 HydrophobicContact CD1-CD1 4.39Å; L720-L740 WeakPolarHBondContact O-CA 3.38Å; L721-L740 HydrophobicContact CD2-CD2 3.65Å; L721-L740 HydrophobicContact CG-CD2 4.25Å; H738-L740 PolarHBondContact ND1-N 2.72Å; H738-L740 PolarHBondContact O-N 2.79Å
741	V	96.8	Very high	91.3	Very high	7 Å²	7	27.7 Å²	27.7	4%	0.042	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	120.3	176.5	-170.7	0	0	0	0	109	L644 F645 F719 L720 I743	L644-V741 WeakPolarHBondContact O-CA 3.46Å; F645-V741 VanDerWaalsContact C-CG1 3.41Å; F719-V741 WeakPolarHBondContact CA-O 3.47Å; L720-V741 PolarHBondContact N-O 2.66Å; L720-V741 PolarHBondContact O-N 2.69Å; V741-I743 HydrophobicContact CG1-CG2 4.38Å
742	L	97.9	Very high	92	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	131.9	175.7	-179.4	56.5	0	0	0	110.4	L644 F645 G646 T700 L704 H711 N718 F719	L644-L742 PolarHBondContact O-N 3.3Å; F645-L742 CarbonylContact C-O 3.6Å; F645-L742 WeakPolarHBondContact CA-O 3.46Å; F645-L742 HydrophobicContact CD1-CB 4.05Å; F645-L742 HydrophobicContact CD1-CD2 4.26Å; F645-L742 HydrophobicContact CD1-CG 4.47Å; F645-L742 HydrophobicContact CE1-CB 4.48Å; F645-L742 HydrophobicContact CE1-CD2 4.11Å; G646-L742 PolarHBondContact N-O 3.34Å; T700-L742 HydrophobicContact CG2-CB 3.92Å; T700-L742 HydrophobicContact CG2-CD2 4.11Å; L704-L742 HydrophobicContact CD2-CD2 4.2Å; H711-L742 HydrophobicContact CB-CD2 4.48Å; N718-L742 HydrophobicContact CB-CD1 4.28Å; N718-L742 CarbonylContact O-C 3.47Å; N718-L742 WeakPolarHBondContact O-CA 3.47Å; N718-L742 WeakPolarHBondContact O-CD1 3.28Å; F719-L742 HydrophobicContact CD1-CB 4.24Å; F719-L742 HydrophobicContact CD1-CD1 4.22Å; F719-L742 HydrophobicContact CE1-CB 3.98Å; F719-L742 HydrophobicContact CE1-CD1 3.88Å; F719-L742 HydrophobicContact CE1-CD2 4.42Å; F719-L742 HydrophobicContact CE1-CG 4.32Å; F719-L742 HydrophobicContact CE2-CD1 4.38Å; F719-L742 HydrophobicContact CZ-CD1 3.96Å
743	I	95.8	Very high	92.5	Very high	46 Å²	46	26.1 Å²	26.1	24%	0.236	16%	0.157	C	C	.	.			trans	-133.4	173.5	-176	61.7	149	0	0	0	112.3	H711 N718 L720 V741	H711-I743 PolarHBondContact CE1-O 3.4Å; H711-I743 PolarHBondContact NE2-O 3Å; N718-I743 WeakPolarHBondContact CB-O 3.24Å; N718-I743 VanDerWaalsContact O-CG1 3.23Å; N718-I743 WeakPolarHBondContact O-CG1 3.49Å; N718-I743 PolarHBondContact O-N 2.93Å; L720-I743 HydrophobicContact CD1-CD1 3.81Å; L720-I743 HydrophobicContact CD1-CG1 4.26Å; L720-I743 HydrophobicContact CD1-CG2 3.89Å; L720-I743 HydrophobicContact CG-CD1 3.94Å; L720-I743 HydrophobicContact CG-CG1 4.18Å; L720-I743 HydrophobicContact CG-CG2 4.38Å; V741-I743 HydrophobicContact CG1-CG2 4.38Å
744	D	93.6	Very high	93.2	Very high	44 Å²	44	26.1 Å²	26.1	24%	0.235	15%	0.153	C	C	.	.			trans	69.7	57.7	-179.9	-155.4	9.4	0	0	0	113.7	K617 G746	K617-D744 IonicContact NZ-OD1 2.72Å; K617-D744 PolarHBondContact NZ-OD1 2.68Å; D744-G746 PolarHBondContact O-N 3.46Å
745	L	95.1	Very high	93.6	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.026	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-69.3	11.3	178.2	-55.3	166.6	0	0	0	113.2	E626 I629 N630 L633 Q747 S748	E626-L745 HydrophobicContact CG-CB 3.96Å; I629-L745 HydrophobicContact CB-CB 4.26Å; I629-L745 HydrophobicContact CG2-CB 4.01Å; I629-L745 HydrophobicContact CG2-CD1 4.21Å; I629-L745 HydrophobicContact CG2-CD2 4.26Å; I629-L745 HydrophobicContact CG2-CG 4.39Å; N630-L745 HydrophobicContact CB-CD1 4.27Å; L633-L745 HydrophobicContact CD1-CD1 3.53Å; L633-L745 HydrophobicContact CD1-CD2 4.03Å; L633-L745 HydrophobicContact CD1-CG 4.45Å; L745-Q747 VanDerWaalsContact C-N 3.29Å; L745-Q747 PolarHBondContact O-N 2.89Å; L745-S748 WeakPolarHBondContact CA-OG 3.29Å; L745-S748 WeakPolarHBondContact O-CB 3.45Å; L745-S748 PolarHBondContact O-N 2.91Å; L745-S748 PolarHBondContact O-OG 3.05Å
746	G	92.1	Very high	93.7	Very high	17 Å²	17	33.7 Å²	33.7	18%	0.175	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-71.4	-18.7	-172	0	0	0	0	0	114.9	D744	D744-G746 PolarHBondContact O-N 3.46Å
747	Q	92.6	Very high	93.6	Very high	66 Å²	66	36.2 Å²	36.2	31%	0.308	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-109.4	1.6	173.1	-62.3	-171	91.2	0	0	112.9	W543 A712 D713 L745	W543-Q747 PolarHBondContact NE1-O 2.9Å; A712-Q747 WeakPolarHBondContact CB-O 3.39Å; D713-Q747 HydrophobicContact CB-CB 4.24Å; D713-Q747 PolarHBondContact OD2-NE2 2.9Å; L745-Q747 VanDerWaalsContact C-N 3.29Å; L745-Q747 PolarHBondContact O-N 2.89Å
748	S	96.9	Very high	93.8	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.189	C	C	.	.			trans	-68.1	151.7	-175.7	-58.5	0	0	0	0	112.5	W625 V710 H711 L745	W625-S748 PolarHBondContact NE1-O 3.46Å; V710-S748 CarbonylContact O-C 3.59Å; V710-S748 WeakPolarHBondContact O-CA 3.39Å; V710-S748 VanDerWaalsContact O-CB 3.22Å; V710-S748 WeakPolarHBondContact O-CB 3.43Å; H711-S748 WeakPolarHBondContact CA-OG 3.35Å; H711-S748 WeakPolarHBondContact O-CA 3.08Å; H711-S748 PolarHBondContact O-N 2.88Å; H711-S748 PolarHBondContact O-OG 2.84Å; H711-S748 VanDerWaalsContact O-OG 3.06Å; L745-S748 WeakPolarHBondContact CA-OG 3.29Å; L745-S748 WeakPolarHBondContact O-CB 3.45Å; L745-S748 PolarHBondContact O-N 2.91Å; L745-S748 PolarHBondContact O-OG 3.05Å
749	I	97.4	Very high	94	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124	-174.9	-51.2	168.9	0	0	0	108.3	P542 W543 I709 V710 M751 F754 F760 W780	P542-I749 HydrophobicContact CB-CD1 3.8Å; P542-I749 HydrophobicContact CB-CG1 4.11Å; P542-I749 HydrophobicContact CB-CG2 4.22Å; P542-I749 HydrophobicContact CG-CD1 3.6Å; P542-I749 HydrophobicContact CG-CG1 4.33Å; W543-I749 HydrophobicContact CZ2-CD1 4.19Å; I709-I749 WeakPolarHBondContact CA-O 3.41Å; V710-I749 HydrophobicContact CB-CB 4.3Å; V710-I749 PolarHBondContact N-O 3.46Å; V710-I749 PolarHBondContact O-N 3.4Å; I749-M751 HydrophobicContact CG2-SD 4.11Å; I749-M751 PolarHBondContact O-N 3.44Å; I749-F754 HydrophobicContact CG2-CE2 3.87Å; I749-F760 HydrophobicContact CD1-CD2 4.19Å; I749-F760 HydrophobicContact CD1-CE2 3.99Å; I749-F760 HydrophobicContact CG2-CE2 4.06Å; I749-F760 HydrophobicContact CG2-CZ 3.74Å; I749-W780 HydrophobicContact CD1-CH2 3.96Å; I749-W780 HydrophobicContact CD1-CZ3 3.91Å
750	D	97.6	Very high	94.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	106.5	170.4	-178.2	8.1	0	0	0	110.1	W625 Y628 I629 R636 A752 L753 F754	W625-D750 HydrophobicContact CH2-CB 4.47Å; Y628-D750 HydrophobicContact CE1-CB 4.31Å; Y628-D750 PolarHBondContact OH-OD2 3.16Å; Y628-D750 VanDerWaalsContact OH-OD2 3.05Å; I629-D750 HydrophobicContact CD1-CB 3.87Å; R636-D750 IonicContact CZ-OD1 3.3Å; R636-D750 IonicContact CZ-OD2 3.63Å; R636-D750 IonicContact NH1-OD1 2.84Å; R636-D750 PolarHBondContact NH1-OD1 3.13Å; R636-D750 IonicContact NH1-OD2 3.93Å; R636-D750 VanDerWaalsContact NH2-CG 3.3Å; R636-D750 IonicContact NH2-OD1 2.86Å; R636-D750 PolarHBondContact NH2-OD1 2.85Å; R636-D750 IonicContact NH2-OD2 3.75Å; R636-D750 PolarHBondContact NH2-OD2 3.11Å; D750-A752 PolarHBondContact O-N 2.87Å; D750-A752 WeakPolarHBondContact OD1-CB 3.31Å; D750-A752 PolarHBondContact OD1-N 3.44Å; D750-L753 HydrophobicContact CB-CD1 4.22Å; D750-L753 HydrophobicContact CB-CG 4.36Å; D750-L753 PolarHBondContact O-N 3.11Å; D750-F754 VanDerWaalsContact O-CD2 3.27Å; D750-F754 WeakPolarHBondContact O-CD2 3.31Å; D750-F754 WeakPolarHBondContact O-CE2 3.47Å
751	M	96.8	Very high	94.2	Very high	20 Å²	20	35.3 Å²	35.3	10%	0.099	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-70.1	-21.6	-179.8	-60.2	-62.2	-64.7	0	0	112.2	H708 V710 I749 L753 F754 F760 Y782	H708-M751 HydrophobicContact CB-CB 4.39Å; H708-M751 WeakPolarHBondContact O-CB 3.32Å; H708-M751 PolarHBondContact O-N 3.36Å; V710-M751 HydrophobicContact CG2-CG 3.86Å; V710-M751 HydrophobicContact CG2-SD 4Å; I749-M751 HydrophobicContact CG2-SD 4.11Å; I749-M751 PolarHBondContact O-N 3.44Å; M751-L753 PolarHBondContact O-N 2.98Å; M751-F754 PolarHBondContact O-N 3.43Å; M751-F754 VanDerWaalsContact O-N 3.16Å; M751-F754 VanDerWaalsContact O-O 3.08Å; M751-F760 HydrophobicContact CE-CE2 4Å; M751-F760 HydrophobicContact CE-CZ 4.12Å; M751-F760 HydrophobicContact SD-CE2 3.59Å; M751-F760 VanDerWaalsContact SD-CE2 3.59Å; M751-F760 HydrophobicContact SD-CZ 3.72Å; M751-Y782 HydrophobicContact CE-CE2 4.38Å; M751-Y782 HydrophobicContact CG-CE1 4.33Å; M751-Y782 HydrophobicContact CG-CE2 4.28Å
752	A	95.5	Very high	93.8	Very high	62 Å²	62	35.8 Å²	35.8	51%	0.512	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-74.1	-9	179.4	0	0	0	0	0	113.8	H708 D750	H708-A752 HydrophobicContact CB-CB 4.31Å; D750-A752 PolarHBondContact O-N 2.87Å; D750-A752 WeakPolarHBondContact OD1-CB 3.31Å; D750-A752 PolarHBondContact OD1-N 3.44Å
753	L	94.4	Very high	93.2	Very high	49 Å²	49	42.2 Å²	42.2	26%	0.257	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-87.4	-8.2	170.5	-71.1	178.1	0	0	0	113.6	L551 W625 Y628 D750 M751	L551-L753 HydrophobicContact CB-CD1 4.21Å; L551-L753 HydrophobicContact CD1-CD1 4.21Å; L551-L753 HydrophobicContact CD2-CB 4.16Å; L551-L753 HydrophobicContact CD2-CD1 4.37Å; L551-L753 HydrophobicContact CG-CD1 4.5Å; W625-L753 HydrophobicContact CH2-CD1 3.8Å; W625-L753 HydrophobicContact CZ3-CD1 4.03Å; Y628-L753 HydrophobicContact CE1-CD1 3.73Å; Y628-L753 WeakPolarHBondContact OH-CD1 3.21Å; D750-L753 HydrophobicContact CB-CD1 4.22Å; D750-L753 HydrophobicContact CB-CG 4.36Å; D750-L753 PolarHBondContact O-N 3.11Å; M751-L753 PolarHBondContact O-N 2.98Å
754	F	92.6	Very high	92.1	Very high	22 Å²	22	41.2 Å²	41.2	10%	0.096	23%	0.229	C	C	.	.	S	Bend	trans	-112.1	154.5	176.6	-58	-88.9	0	0	0	109.9	V539 L551 I749 D750 M751 T758 F760	V539-F754 HydrophobicContact CG1-CE1 4.28Å; V539-F754 HydrophobicContact CG2-CD1 3.96Å; V539-F754 HydrophobicContact CG2-CE1 4.07Å; L551-F754 HydrophobicContact CD1-CE2 4.4Å; L551-F754 HydrophobicContact CD1-CZ 3.96Å; I749-F754 HydrophobicContact CG2-CE2 3.87Å; D750-F754 VanDerWaalsContact O-CD2 3.27Å; D750-F754 WeakPolarHBondContact O-CD2 3.31Å; D750-F754 WeakPolarHBondContact O-CE2 3.47Å; M751-F754 PolarHBondContact O-N 3.43Å; M751-F754 VanDerWaalsContact O-N 3.16Å; M751-F754 VanDerWaalsContact O-O 3.08Å; F754-T758 HydrophobicContact CB-CG2 3.86Å; F754-T758 HydrophobicContact CD1-CG2 4.14Å; F754-T758 HydrophobicContact CG-CG2 4.1Å; F754-F760 HydrophobicContact CD2-CZ 4.35Å; F754-F760 HydrophobicContact CE1-CE1 4.22Å; F754-F760 HydrophobicContact CE2-CE1 4.34Å; F754-F760 HydrophobicContact CE2-CZ 4.25Å; F754-F760 HydrophobicContact CZ-CE1 4.13Å
755	P	91.3	Very high	90.6	Very high	79 Å²	79	45.3 Å²	45.3	51%	0.513	25%	0.25	S	S	.	.			trans	-63	158.5	172	-26.1	39.4	0	0	0	112.5	T758	P755-T758 VanDerWaalsContact O-CB 3.31Å; P755-T758 WeakPolarHBondContact O-CB 3.32Å; P755-T758 PolarHBondContact O-N 3.14Å; P755-T758 PolarHBondContact O-OG1 3.42Å
756	E	88.2	Confident	88.8	Confident	185 Å²	185	47 Å²	47	86%	0.864	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	152.5	175.2	-63.1	-177.1	-172.8	0	0	111.1	T758	E756-T758 PolarHBondContact O-N 3.08Å; E756-T758 VanDerWaalsContact O-N 3.13Å
757	C	86.5	Confident	87.3	Confident	75 Å²	75	50.4 Å²	50.4	51%	0.507	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	14.8	-174.5	-61.8	0	0	0	0	116.2	L536 Q537	L536-C757 HydrophobicContact CD2-CB 4.38Å; Q537-C757 PolarHBondContact N-O 3.16Å
758	T	92.9	Very high	85.8	Confident	4 Å²	4	49.6 Å²	49.6	3%	0.025	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	137.6	169	-68.3	0	0	0	0	112.2	Q537 V539 F754 P755 E756 F760	Q537-T758 WeakPolarHBondContact O-CA 3.44Å; V539-T758 HydrophobicContact CB-CG2 4.39Å; V539-T758 HydrophobicContact CG2-CG2 3.79Å; F754-T758 HydrophobicContact CB-CG2 3.86Å; F754-T758 HydrophobicContact CD1-CG2 4.14Å; F754-T758 HydrophobicContact CG-CG2 4.1Å; P755-T758 VanDerWaalsContact O-CB 3.31Å; P755-T758 WeakPolarHBondContact O-CB 3.32Å; P755-T758 PolarHBondContact O-N 3.14Å; P755-T758 PolarHBondContact O-OG1 3.42Å; E756-T758 PolarHBondContact O-N 3.08Å; E756-T758 VanDerWaalsContact O-N 3.13Å; T758-F760 HydrophobicContact CG2-CE1 3.91Å; T758-F760 HydrophobicContact CG2-CZ 4.1Å
759	A	94.8	Very high	84.6	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	150.9	171.3	0	0	0	0	0	111.5	Q537 L538 V539 P779	Q537-A759 PolarHBondContact O-N 3.17Å; L538-A759 WeakPolarHBondContact CA-O 3.48Å; L538-A759 HydrophobicContact CD2-CB 4.3Å; V539-A759 PolarHBondContact N-O 3.04Å; A759-P779 HydrophobicContact CB-CB 3.79Å
760	F	95.1	Very high	84.1	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	156.8	-177.5	-50.7	-64.6	0	0	0	111.5	V539 P542 I749 M751 F754 T758 P779 W780	V539-F760 HydrophobicContact CB-CD1 3.72Å; V539-F760 HydrophobicContact CB-CE1 3.97Å; V539-F760 HydrophobicContact CG1-CD1 3.78Å; V539-F760 HydrophobicContact CG1-CE1 4.01Å; V539-F760 HydrophobicContact CG2-CE1 4.44Å; V539-F760 CarbonylContact O-C 3.45Å; V539-F760 WeakPolarHBondContact O-CA 3.09Å; P542-F760 HydrophobicContact CB-CD1 3.74Å; P542-F760 HydrophobicContact CB-CE1 3.77Å; P542-F760 HydrophobicContact CB-CG 4.26Å; P542-F760 HydrophobicContact CB-CZ 4.28Å; P542-F760 HydrophobicContact CG-CB 4.35Å; P542-F760 HydrophobicContact CG-CD1 3.85Å; P542-F760 HydrophobicContact CG-CD2 4.41Å; P542-F760 HydrophobicContact CG-CE1 4.34Å; P542-F760 HydrophobicContact CG-CG 3.92Å; I749-F760 HydrophobicContact CD1-CD2 4.19Å; I749-F760 HydrophobicContact CD1-CE2 3.99Å; I749-F760 HydrophobicContact CG2-CE2 4.06Å; I749-F760 HydrophobicContact CG2-CZ 3.74Å; M751-F760 HydrophobicContact CE-CE2 4Å; M751-F760 HydrophobicContact CE-CZ 4.12Å; M751-F760 HydrophobicContact SD-CE2 3.59Å; M751-F760 VanDerWaalsContact SD-CE2 3.59Å; M751-F760 HydrophobicContact SD-CZ 3.72Å; F754-F760 HydrophobicContact CD2-CZ 4.35Å; F754-F760 HydrophobicContact CE1-CE1 4.22Å; F754-F760 HydrophobicContact CE2-CE1 4.34Å; F754-F760 HydrophobicContact CE2-CZ 4.25Å; F754-F760 HydrophobicContact CZ-CE1 4.13Å; T758-F760 HydrophobicContact CG2-CE1 3.91Å; T758-F760 HydrophobicContact CG2-CZ 4.1Å; F760-P779 CarbonylContact O-C 3.52Å; F760-P779 VanDerWaalsContact O-CA 3.24Å; F760-P779 WeakPolarHBondContact O-CA 3.32Å; F760-W780 HydrophobicContact CB-CD2 3.95Å; F760-W780 HydrophobicContact CB-CE3 4.2Å; F760-W780 HydrophobicContact CB-CH2 3.78Å; F760-W780 HydrophobicContact CB-CZ2 3.52Å; F760-W780 HydrophobicContact CB-CZ3 4.13Å; F760-W780 AromaticContact CD2-CE3 3.96Å; F760-W780 HydrophobicContact CD2-CE3 3.96Å; F760-W780 AromaticContact CD2-CH2 3.93Å; F760-W780 HydrophobicContact CD2-CH2 3.93Å; F760-W780 AromaticContact CD2-CZ3 3.63Å; F760-W780 HydrophobicContact CD2-CZ3 3.63Å; F760-W780 WeakPolarHBondContact CD2-O 3.37Å; F760-W780 HydrophobicContact CG-CH2 4.08Å; F760-W780 HydrophobicContact CG-CZ2 4.32Å; F760-W780 HydrophobicContact CG-CZ3 4.22Å; F760-W780 PolarHBondContact N-O 3.42Å; F760-W780 PolarHBondContact O-N 3.44Å
761	T	93.4	Very high	83.9	Confident	59 Å²	59	55.5 Å²	55.5	36%	0.362	32%	0.317	S	S	.	.			trans	-130.8	-9.7	-177.1	52.7	0	0	0	0	114.5	L538 V539 S540 P779	L538-T761 HydrophobicContact CB-CG2 4.47Å; L538-T761 HydrophobicContact CD1-CG2 4.38Å; L538-T761 HydrophobicContact CD2-CG2 4.12Å; V539-T761 PolarHBondContact O-N 3.35Å; V539-T761 VanDerWaalsContact O-N 3.13Å; V539-T761 PolarHBondContact O-OG1 2.89Å; S540-T761 WeakPolarHBondContact CA-OG1 3.48Å; S540-T761 CarbonylContact O-C 3.56Å; S540-T761 PolarHBondContact O-N 3.26Å; S540-T761 PolarHBondContact O-OG1 3.07Å; T761-P779 HydrophobicContact CG2-CB 4.42Å; T761-P779 HydrophobicContact CG2-CG 4.45Å
762	A	89.3	Confident	83.9	Confident	16 Å²	16	54.6 Å²	54.6	13%	0.132	31%	0.313	C	S	.	.			trans	-57.7	153.6	171.9	0	0	0	0	0	111.7	S540 D541 W543 W780	S540-A762 WeakPolarHBondContact O-CA 3.46Å; S540-A762 VanDerWaalsContact O-CB 3.26Å; S540-A762 WeakPolarHBondContact O-CB 3.49Å; S540-A762 PolarHBondContact O-N 2.68Å; D541-A762 HydrophobicContact CB-CB 3.91Å; W543-A762 HydrophobicContact CZ3-CB 4.36Å; A762-W780 PolarHBondContact O-NE1 3.26Å
763	R	84.6	Confident	83.9	Confident	135 Å²	135	52 Å²	52	51%	0.509	29%	0.29	S	S	.	.			trans	-118.2	127.3	173	-55.9	-178.2	-173.1	-169.7	-1.7	107.4	L765 M774 G777	R763-L765 PolarHBondContact O-N 3.02Å; R763-M774 HydrophobicContact CB-CB 4.44Å; R763-M774 WeakPolarHBondContact CD-O 3.37Å; R763-M774 HydrophobicContact CG-CB 4.18Å; R763-M774 PolarHBondContact NE-O 2.79Å; R763-G777 VanDerWaalsContact NH2-CA 3.28Å
764	C	73.6	Confident	83.9	Confident	25 Å²	25	49.8 Å²	49.8	17%	0.169	28%	0.279	C	S	.	.			trans	-59.5	139.8	171	65	0	0	0	0	109.3	T766 F769 Q770 M774	C764-T766 PolarHBondContact O-N 2.88Å; C764-F769 PolarHBondContact SG-O 3.27Å; C764-F769 VanDerWaalsContact SG-O 3.37Å; C764-Q770 WeakPolarHBondContact O-CG 3.36Å; C764-Q770 PolarHBondContact O-NE2 3.39Å; C764-Q770 WeakPolarHBondContact SG-CG 3.38Å; C764-Q770 PolarHBondContact SG-N 3.17Å; C764-M774 HydrophobicContact CB-SD 4.39Å
765	L	61	Low	83.9	Confident	131 Å²	131	51.5 Å²	51.5	69%	0.686	29%	0.289	S	S	*	.	S	Bend	trans	-74.8	-10	-169.8	-79.6	162.3	0	0	0	114.3	Y38 R763	Y38-L765 HydrophobicContact CD2-CB 4.47Å; Y38-L765 HydrophobicContact CD2-CD1 4.31Å; Y38-L765 HydrophobicContact CE2-CB 4.32Å; Y38-L765 HydrophobicContact CE2-CD1 3.82Å; R763-L765 PolarHBondContact O-N 3.02Å
766	T	59.2	Low	83.9	Confident	40 Å²	40	50.5 Å²	50.5	25%	0.245	28%	0.284	C	S	.	.	S	Bend	trans	-99.1	111.7	174.6	-57.1	0	0	0	0	109.8	C764 G768 F769	C764-T766 PolarHBondContact O-N 2.88Å; T766-G768 VanDerWaalsContact C-N 3.25Å; T766-G768 PolarHBondContact O-N 2.73Å; T766-F769 HydrophobicContact CG2-CD2 3.63Å; T766-F769 HydrophobicContact CG2-CE2 3.96Å; T766-F769 PolarHBondContact O-N 3.47Å; T766-F769 VanDerWaalsContact O-N 3.07Å
767	S	59	Low	84.1	Confident	88 Å²	88	43.7 Å²	43.7	62%	0.615	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-56.7	-32.2	-174.7	50.2	0	0	0	0	114.6	F769 Q770	S767-F769 PolarHBondContact O-N 3.18Å; S767-F769 VanDerWaalsContact O-N 3.16Å; S767-Q770 PolarHBondContact O-N 2.85Å
768	G	60.8	Low	84.4	Confident	50 Å²	50	45 Å²	45	52%	0.515	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-65.5	-11.5	177.4	0	0	0	0	0	115.7	T766	T766-G768 VanDerWaalsContact C-N 3.25Å; T766-G768 PolarHBondContact O-N 2.73Å
769	F	71.6	Confident	84.5	Confident	92 Å²	92	46.9 Å²	46.9	40%	0.404	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-115.9	4.8	176.9	-59.4	-81.4	0	0	0	112.9	K715 C764 T766 S767 C771	K715-F769 HydrophobicContact CD-CE1 4.23Å; C764-F769 PolarHBondContact SG-O 3.27Å; C764-F769 VanDerWaalsContact SG-O 3.37Å; T766-F769 HydrophobicContact CG2-CD2 3.63Å; T766-F769 HydrophobicContact CG2-CE2 3.96Å; T766-F769 PolarHBondContact O-N 3.47Å; T766-F769 VanDerWaalsContact O-N 3.07Å; S767-F769 PolarHBondContact O-N 3.18Å; S767-F769 VanDerWaalsContact O-N 3.16Å; F769-C771 PolarHBondContact O-N 2.74Å
770	Q	87.2	Confident	84.6	Confident	33 Å²	33	46.9 Å²	46.9	15%	0.154	27%	0.272	C	S	.	.			trans	-75.1	119.1	177.1	-71.7	178.5	-13	0	0	109.8	C764 S767 M774 L775 F787	C764-Q770 WeakPolarHBondContact O-CG 3.36Å; C764-Q770 PolarHBondContact O-NE2 3.39Å; C764-Q770 WeakPolarHBondContact SG-CG 3.38Å; C764-Q770 PolarHBondContact SG-N 3.17Å; S767-Q770 PolarHBondContact O-N 2.85Å; Q770-M774 HydrophobicContact CB-CB 4.05Å; Q770-M774 HydrophobicContact CB-SD 4.36Å; Q770-M774 HydrophobicContact CG-CB 4.4Å; Q770-M774 HydrophobicContact CG-SD 4.31Å; Q770-L775 HydrophobicContact CB-CD2 3.83Å; Q770-L775 HydrophobicContact CB-CG 3.89Å; Q770-L775 WeakPolarHBondContact O-CD1 3.36Å; Q770-F787 VanDerWaalsContact O-CZ 3.26Å; Q770-F787 WeakPolarHBondContact O-CZ 3.39Å
771	C	94.5	Very high	84.6	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.274	C	S	.	.			trans	-68	167.1	174.5	73	0	0	0	0	111.9	F769 E773 M774 L775 F787	F769-C771 PolarHBondContact O-N 2.74Å; C771-E773 PolarHBondContact O-N 2.84Å; C771-E773 VanDerWaalsContact O-N 3.16Å; C771-E773 PolarHBondContact SG-OE2 3.02Å; C771-M774 WeakPolarHBondContact O-CB 3.27Å; C771-M774 PolarHBondContact O-N 3.44Å; C771-L775 WeakPolarHBondContact O-CG 3.38Å; C771-L775 PolarHBondContact O-N 3.21Å; C771-F787 HydrophobicContact CB-CB 3.64Å; C771-F787 HydrophobicContact CB-CD1 4.2Å; C771-F787 HydrophobicContact CB-CD2 4.15Å; C771-F787 HydrophobicContact CB-CG 3.75Å
772	T	95.7	Very high	84.8	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-58.6	-29.6	-176	36.9	0	0	0	0	113.4	S776 F787 W811 L834	T772-S776 WeakPolarHBondContact O-CB 3.41Å; T772-S776 PolarHBondContact O-N 2.85Å; T772-S776 VanDerWaalsContact O-N 3.12Å; T772-S776 PolarHBondContact O-OG 2.9Å; T772-F787 HydrophobicContact CG2-CD2 4.2Å; T772-F787 HydrophobicContact CG2-CE2 4.23Å; T772-W811 HydrophobicContact CG2-CB 3.68Å; T772-W811 HydrophobicContact CG2-CD2 3.6Å; T772-W811 HydrophobicContact CG2-CE3 4.18Å; T772-W811 HydrophobicContact CG2-CG 3.37Å; T772-L834 WeakPolarHBondContact CB-O 3.42Å; T772-L834 HydrophobicContact CG2-CB 4.23Å; T772-L834 HydrophobicContact CG2-CD2 4.23Å; T772-L834 WeakPolarHBondContact CG2-O 3.42Å; T772-L834 PolarHBondContact OG1-O 2.86Å; T772-L834 VanDerWaalsContact OG1-O 3.13Å
773	E	95.6	Very high	85.2	Confident	7 Å²	7	45.1 Å²	45.1	3%	0.033	26%	0.257	C	S	.	.	H	α-helix	trans	-72	-49.6	172.4	-60	67.3	-139.7	0	0	111.2	C771 L775 S776 G777 K778 W780 Q783	C771-E773 PolarHBondContact O-N 2.84Å; C771-E773 VanDerWaalsContact O-N 3.16Å; C771-E773 PolarHBondContact SG-OE2 3.02Å; E773-L775 VanDerWaalsContact C-N 3.3Å; E773-L775 PolarHBondContact O-N 2.82Å; E773-S776 CarbonylContact O-C 3.56Å; E773-S776 PolarHBondContact O-N 3.03Å; E773-S776 PolarHBondContact O-OG 2.91Å; E773-G777 WeakPolarHBondContact O-CA 3.06Å; E773-G777 PolarHBondContact O-N 3.07Å; E773-K778 HydrophobicContact CB-CB 4.01Å; E773-K778 HydrophobicContact CG-CB 4.41Å; E773-K778 PolarHBondContact O-N 2.93Å; E773-W780 HydrophobicContact CB-CB 3.74Å; E773-W780 HydrophobicContact CG-CB 4.08Å; E773-Q783 HydrophobicContact CG-CB 4.39Å; E773-Q783 HydrophobicContact CG-CG 4.44Å; E773-Q783 WeakPolarHBondContact OE2-CB 3.44Å
774	M	94.4	Very high	85.7	Confident	2 Å²	2	39 Å²	39	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-57.9	-42	175.9	-69.5	-179.9	-157	0	0	112	W543 R763 C764 Q770 C771 G777 W780	W543-M774 HydrophobicContact CH2-CE 4.18Å; R763-M774 HydrophobicContact CB-CB 4.44Å; R763-M774 WeakPolarHBondContact CD-O 3.37Å; R763-M774 HydrophobicContact CG-CB 4.18Å; R763-M774 PolarHBondContact NE-O 2.79Å; C764-M774 HydrophobicContact CB-SD 4.39Å; Q770-M774 HydrophobicContact CB-CB 4.05Å; Q770-M774 HydrophobicContact CB-SD 4.36Å; Q770-M774 HydrophobicContact CG-CB 4.4Å; Q770-M774 HydrophobicContact CG-SD 4.31Å; C771-M774 WeakPolarHBondContact O-CB 3.27Å; C771-M774 PolarHBondContact O-N 3.44Å; M774-G777 PolarHBondContact O-N 2.93Å; M774-W780 HydrophobicContact CE-CD2 4.01Å; M774-W780 HydrophobicContact CE-CE3 4.4Å; M774-W780 HydrophobicContact CE-CH2 4.17Å; M774-W780 HydrophobicContact CE-CZ2 3.71Å; M774-W780 HydrophobicContact CE-CZ3 4.48Å; M774-W780 HydrophobicContact CG-CG 4.49Å
775	L	92.9	Very high	86.9	Confident	58 Å²	58	37.9 Å²	37.9	30%	0.304	23%	0.227	S	C	.	.	H	α-helix	trans	-64.4	-40.7	177.2	-70.2	170.2	0	0	0	112.1	Q770 C771 E773 V804 W811	Q770-L775 HydrophobicContact CB-CD2 3.83Å; Q770-L775 HydrophobicContact CB-CG 3.89Å; Q770-L775 WeakPolarHBondContact O-CD1 3.36Å; C771-L775 WeakPolarHBondContact O-CG 3.38Å; C771-L775 PolarHBondContact O-N 3.21Å; E773-L775 VanDerWaalsContact C-N 3.3Å; E773-L775 PolarHBondContact O-N 2.82Å; L775-V804 HydrophobicContact CD1-CG2 3.59Å; L775-W811 HydrophobicContact CB-CH2 3.66Å; L775-W811 HydrophobicContact CB-CZ2 3.85Å; L775-W811 HydrophobicContact CD1-CH2 3.93Å; L775-W811 HydrophobicContact CD1-CZ3 4.02Å; L775-W811 HydrophobicContact CG-CH2 4.41Å
776	S	92.1	Very high	88.7	Confident	59 Å²	59	32.2 Å²	32.2	41%	0.413	20%	0.196	S	C	.	.	H	α-helix	trans	-85	-5.9	177.1	55.5	0	0	0	0	114.4	T772 E773 K778	T772-S776 WeakPolarHBondContact O-CB 3.41Å; T772-S776 PolarHBondContact O-N 2.85Å; T772-S776 VanDerWaalsContact O-N 3.12Å; T772-S776 PolarHBondContact O-OG 2.9Å; E773-S776 CarbonylContact O-C 3.56Å; E773-S776 PolarHBondContact O-N 3.03Å; E773-S776 PolarHBondContact O-OG 2.91Å; S776-K778 VanDerWaalsContact C-N 3.33Å
777	G	91.7	Very high	90.5	Very high	42 Å²	42	31.2 Å²	31.2	43%	0.433	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	19.6	-176.7	0	0	0	0	0	114.9	R763 E773 M774	R763-G777 VanDerWaalsContact NH2-CA 3.28Å; E773-G777 WeakPolarHBondContact O-CA 3.06Å; E773-G777 PolarHBondContact O-N 3.07Å; M774-G777 PolarHBondContact O-N 2.93Å
778	K	93.3	Very high	92.3	Very high	101 Å²	101	27.4 Å²	27.4	44%	0.439	16%	0.164	S	C	.	.			trans	-80.7	157.1	173.6	-68	-179.3	175.3	-170.3	0	111.6	E773 S776	E773-K778 HydrophobicContact CB-CB 4.01Å; E773-K778 HydrophobicContact CG-CB 4.41Å; E773-K778 PolarHBondContact O-N 2.93Å; S776-K778 VanDerWaalsContact C-N 3.33Å
779	P	95.3	Very high	94.1	Very high	44 Å²	44	25 Å²	25	29%	0.286	14%	0.139	S	C	.	.			trans	-62.1	151.6	163.5	-18.9	32.3	0	0	0	112.2	L538 A759 F760 T761	L538-P779 HydrophobicContact CD2-CB 3.8Å; L538-P779 HydrophobicContact CD2-CG 3.7Å; A759-P779 HydrophobicContact CB-CB 3.79Å; F760-P779 CarbonylContact O-C 3.52Å; F760-P779 VanDerWaalsContact O-CA 3.24Å; F760-P779 WeakPolarHBondContact O-CA 3.32Å; T761-P779 HydrophobicContact CG2-CB 4.42Å; T761-P779 HydrophobicContact CG2-CG 4.45Å
780	W	95.6	Very high	95.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-145	156.6	-179.3	58.2	-90.6	0	0	0	111.8	P542 W543 I749 F760 A762 E773 M774 T784	P542-W780 HydrophobicContact CG-CH2 3.89Å; P542-W780 HydrophobicContact CG-CZ2 4.39Å; W543-W780 AromaticContact CH2-CH2 3.29Å; W543-W780 HydrophobicContact CH2-CH2 3.29Å; W543-W780 AromaticContact CH2-CZ2 3.58Å; W543-W780 HydrophobicContact CH2-CZ2 3.58Å; W543-W780 HydrophobicContact CH2-CZ3 4.35Å; W543-W780 AromaticContact CZ2-CH2 3.68Å; W543-W780 HydrophobicContact CZ2-CH2 3.68Å; W543-W780 HydrophobicContact CZ2-CZ2 4.41Å; W543-W780 AromaticContact CZ3-CH2 3.99Å; W543-W780 HydrophobicContact CZ3-CH2 3.99Å; W543-W780 AromaticContact CZ3-CZ2 3.91Å; W543-W780 HydrophobicContact CZ3-CZ2 3.91Å; I749-W780 HydrophobicContact CD1-CH2 3.96Å; I749-W780 HydrophobicContact CD1-CZ3 3.91Å; F760-W780 HydrophobicContact CB-CD2 3.95Å; F760-W780 HydrophobicContact CB-CE3 4.2Å; F760-W780 HydrophobicContact CB-CH2 3.78Å; F760-W780 HydrophobicContact CB-CZ2 3.52Å; F760-W780 HydrophobicContact CB-CZ3 4.13Å; F760-W780 AromaticContact CD2-CE3 3.96Å; F760-W780 HydrophobicContact CD2-CE3 3.96Å; F760-W780 AromaticContact CD2-CH2 3.93Å; F760-W780 HydrophobicContact CD2-CH2 3.93Å; F760-W780 AromaticContact CD2-CZ3 3.63Å; F760-W780 HydrophobicContact CD2-CZ3 3.63Å; F760-W780 WeakPolarHBondContact CD2-O 3.37Å; F760-W780 HydrophobicContact CG-CH2 4.08Å; F760-W780 HydrophobicContact CG-CZ2 4.32Å; F760-W780 HydrophobicContact CG-CZ3 4.22Å; F760-W780 PolarHBondContact N-O 3.42Å; F760-W780 PolarHBondContact O-N 3.44Å; A762-W780 PolarHBondContact O-NE1 3.26Å; E773-W780 HydrophobicContact CB-CB 3.74Å; E773-W780 HydrophobicContact CG-CB 4.08Å; M774-W780 HydrophobicContact CE-CD2 4.01Å; M774-W780 HydrophobicContact CE-CE3 4.4Å; M774-W780 HydrophobicContact CE-CH2 4.17Å; M774-W780 HydrophobicContact CE-CZ2 3.71Å; M774-W780 HydrophobicContact CE-CZ3 4.48Å; M774-W780 HydrophobicContact CG-CG 4.49Å; W780-T784 HydrophobicContact CE3-CG2 4.02Å; W780-T784 HydrophobicContact CZ3-CG2 3.83Å
781	S	95.7	Very high	95.9	Very high	4 Å²	4	19.8 Å²	19.8	3%	0.028	12%	0.12	C	C	.	.	S	Bend	trans	-139.1	-92.3	169.1	59.2	0	0	0	0	110.2	Q783	S781-Q783 VanDerWaalsContact C-N 3.28Å; S781-Q783 PolarHBondContact O-N 2.86Å
782	Y	97.3	Very high	96.1	Very high	33 Å²	33	19.9 Å²	19.9	13%	0.129	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-21	179.8	-65.7	-91.6	0	0	0	113	H705 V710 M751 T784 D785 Y786 L842	H705-Y782 HydrophobicContact CB-CD1 4.1Å; H705-Y782 HydrophobicContact CB-CE1 4.04Å; H705-Y782 AromaticContact CD2-CD1 3.71Å; H705-Y782 AromaticContact CE1-CD1 3.8Å; H705-Y782 AromaticContact CG-CD1 3.57Å; H705-Y782 AromaticContact CG-CE1 3.96Å; H705-Y782 AromaticContact ND1-CD1 3.65Å; H705-Y782 AromaticContact NE2-CD1 3.83Å; V710-Y782 HydrophobicContact CG2-CD1 3.59Å; V710-Y782 HydrophobicContact CG2-CE1 3.79Å; V710-Y782 HydrophobicContact CG2-CG 4.07Å; M751-Y782 HydrophobicContact CE-CE2 4.38Å; M751-Y782 HydrophobicContact CG-CE1 4.33Å; M751-Y782 HydrophobicContact CG-CE2 4.28Å; Y782-T784 PolarHBondContact O-N 2.85Å; Y782-T784 VanDerWaalsContact O-N 3.09Å; Y782-D785 WeakPolarHBondContact O-CB 3.38Å; Y782-D785 PolarHBondContact O-N 2.87Å; Y782-Y786 VanDerWaalsContact O-CD2 3.24Å; Y782-Y786 WeakPolarHBondContact O-CD2 3.32Å; Y782-L842 HydrophobicContact CD2-CD1 3.65Å; Y782-L842 HydrophobicContact CE2-CD1 4.46Å; Y782-L842 HydrophobicContact CG-CD1 3.97Å
783	Q	97.3	Very high	96.2	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.009	12%	0.12	C	C	.	.	H	α-helix	trans	-58.3	-26.6	-174.7	-61.5	91.5	-31.4	0	0	114.1	E773 S781 D785 Y786 F787 V836 D838 C839 L842	E773-Q783 HydrophobicContact CG-CB 4.39Å; E773-Q783 HydrophobicContact CG-CG 4.44Å; E773-Q783 WeakPolarHBondContact OE2-CB 3.44Å; S781-Q783 VanDerWaalsContact C-N 3.28Å; S781-Q783 PolarHBondContact O-N 2.86Å; Q783-D785 PolarHBondContact O-N 2.85Å; Q783-Y786 WeakPolarHBondContact O-CB 3.42Å; Q783-Y786 PolarHBondContact O-N 2.79Å; Q783-F787 PolarHBondContact O-N 2.86Å; Q783-V836 HydrophobicContact CG-CB 3.78Å; Q783-V836 HydrophobicContact CG-CG1 3.78Å; Q783-V836 HydrophobicContact CG-CG2 3.95Å; Q783-D838 PolarHBondContact NE2-O 3.48Å; Q783-C839 PolarHBondContact NE2-SG 2.95Å; Q783-C839 VanDerWaalsContact NE2-SG 3.37Å; Q783-L842 HydrophobicContact CG-CD2 4.27Å
784	T	96.3	Very high	96.3	Very high	7 Å²	7	19.8 Å²	19.8	4%	0.043	12%	0.119	C	C	.	.	H	α-helix	trans	-60.2	-34	175.2	-167.2	0	0	0	0	112.1	V710 A712 W780 Y782 G788	V710-T784 HydrophobicContact CG1-CG2 3.57Å; A712-T784 HydrophobicContact CB-CG2 4.07Å; W780-T784 HydrophobicContact CE3-CG2 4.02Å; W780-T784 HydrophobicContact CZ3-CG2 3.83Å; Y782-T784 PolarHBondContact O-N 2.85Å; Y782-T784 VanDerWaalsContact O-N 3.09Å; T784-G788 PolarHBondContact O-N 2.83Å
785	D	98.2	Very high	96.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-75.3	-34	174.2	-77.1	-2.7	0	0	0	111.8	V701 H705 V710 H711 A712 I714 Y782 Q783 F787 G788 I789	V701-D785 HydrophobicContact CG1-CB 4.29Å; H705-D785 IonicContact CD2-OD2 2.8Å; H705-D785 IonicContact CE1-OD2 3.84Å; H705-D785 IonicContact NE2-OD2 3.72Å; H705-D785 PolarHBondContact NE2-OD2 3.11Å; V710-D785 WeakPolarHBondContact CG1-OD2 3.3Å; H711-D785 PolarHBondContact N-OD1 3.47Å; H711-D785 PolarHBondContact N-OD2 2.92Å; A712-D785 WeakPolarHBondContact CA-OD1 3.27Å; A712-D785 PolarHBondContact N-OD1 3.19Å; I714-D785 HydrophobicContact CD1-CB 3.58Å; I714-D785 VanDerWaalsContact CD1-CG 3.46Å; I714-D785 HydrophobicContact CG1-CB 4.37Å; Y782-D785 WeakPolarHBondContact O-CB 3.38Å; Y782-D785 PolarHBondContact O-N 2.87Å; Q783-D785 PolarHBondContact O-N 2.85Å; D785-F787 VanDerWaalsContact C-N 3.33Å; D785-G788 PolarHBondContact O-N 3.31Å; D785-I789 WeakPolarHBondContact O-CB 3.43Å; D785-I789 WeakPolarHBondContact O-CD1 3.32Å; D785-I789 WeakPolarHBondContact O-CG1 3.13Å; D785-I789 PolarHBondContact O-N 2.79Å
786	Y	98.5	Very high	96.6	Very high	13 Å²	13	17 Å²	17	5%	0.051	11%	0.105	C	C	.	.	H	α-helix	trans	-65.5	-41.8	177.6	-71.8	-128.5	0	0	0	109.8	H705 Y782 Q783 I789 A790 L833 V836 P843 L845	H705-Y786 AromaticContact CE1-CE2 3.56Å; H705-Y786 AromaticContact ND1-CE2 3.71Å; Y782-Y786 VanDerWaalsContact O-CD2 3.24Å; Y782-Y786 WeakPolarHBondContact O-CD2 3.32Å; Q783-Y786 WeakPolarHBondContact O-CB 3.42Å; Q783-Y786 PolarHBondContact O-N 2.79Å; Y786-I789 PolarHBondContact O-N 3.43Å; Y786-A790 PolarHBondContact O-N 2.56Å; Y786-L833 HydrophobicContact CD1-CD2 3.56Å; Y786-L833 HydrophobicContact CE1-CD2 4.4Å; Y786-L833 HydrophobicContact CG-CD2 4.1Å; Y786-V836 HydrophobicContact CD1-CG2 4.44Å; Y786-P843 HydrophobicContact CD1-CG 4.01Å; Y786-P843 HydrophobicContact CE1-CG 3.74Å; Y786-P843 WeakPolarHBondContact CE1-O 3.38Å; Y786-P843 PolarHBondContact OH-O 2.94Å; Y786-L845 HydrophobicContact CD1-CD2 3.91Å; Y786-L845 HydrophobicContact CE1-CD2 3.54Å; Y786-L845 HydrophobicContact CE1-CG 4.05Å; Y786-L845 HydrophobicContact CE2-CD1 4.24Å; Y786-L845 HydrophobicContact CE2-CD2 4.29Å; Y786-L845 HydrophobicContact CE2-CG 4.4Å; Y786-L845 HydrophobicContact CG-CD2 4.39Å
787	F	97.7	Very high	96.7	Very high	18 Å²	18	14.7 Å²	14.7	8%	0.079	9%	0.088	C	C	.	.	H	α-helix	trans	-63.2	-43.1	171.1	-174.4	-92.3	0	0	0	112.4	Q770 C771 T772 Q783 D785 A790 G791 M802 V804 L834	Q770-F787 VanDerWaalsContact O-CZ 3.26Å; Q770-F787 WeakPolarHBondContact O-CZ 3.39Å; C771-F787 HydrophobicContact CB-CB 3.64Å; C771-F787 HydrophobicContact CB-CD1 4.2Å; C771-F787 HydrophobicContact CB-CD2 4.15Å; C771-F787 HydrophobicContact CB-CG 3.75Å; T772-F787 HydrophobicContact CG2-CD2 4.2Å; T772-F787 HydrophobicContact CG2-CE2 4.23Å; Q783-F787 PolarHBondContact O-N 2.86Å; D785-F787 VanDerWaalsContact C-N 3.33Å; F787-A790 WeakPolarHBondContact O-CB 3.35Å; F787-A790 PolarHBondContact O-N 2.94Å; F787-G791 PolarHBondContact O-N 2.86Å; F787-M802 HydrophobicContact CD1-CE 4.49Å; F787-M802 HydrophobicContact CD2-CE 4.07Å; F787-M802 HydrophobicContact CE1-CE 4.16Å; F787-M802 HydrophobicContact CE2-CE 3.71Å; F787-M802 HydrophobicContact CG-CE 4.45Å; F787-M802 HydrophobicContact CZ-CE 3.76Å; F787-V804 HydrophobicContact CE2-CG1 3.99Å; F787-V804 HydrophobicContact CE2-CG2 4.06Å; F787-V804 HydrophobicContact CZ-CG2 4.41Å; F787-L834 HydrophobicContact CD2-CD2 3.47Å; F787-L834 VanDerWaalsContact CD2-CD2 3.47Å; F787-L834 HydrophobicContact CE2-CD2 3.92Å; F787-L834 HydrophobicContact CG-CD2 4.43Å
788	G	97.7	Very high	96.8	Very high	9 Å²	9	14.4 Å²	14.4	9%	0.093	8%	0.075	C	C	.	.	H	α-helix	trans	-67.7	-35.3	176.9	0	0	0	0	0	114.2	I714 T784 D785 G791 T792	I714-G788 CarbonylContact O-C 3.56Å; I714-G788 VanDerWaalsContact O-CA 3.24Å; I714-G788 WeakPolarHBondContact O-CA 3.32Å; T784-G788 PolarHBondContact O-N 2.83Å; D785-G788 PolarHBondContact O-N 3.31Å; G788-G791 PolarHBondContact O-N 2.85Å; G788-T792 VanDerWaalsContact O-CB 3.27Å; G788-T792 WeakPolarHBondContact O-CB 3.42Å; G788-T792 PolarHBondContact O-N 2.92Å; G788-T792 PolarHBondContact O-OG1 3.49Å
789	I	98.6	Very high	96.8	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-59.8	-49.1	168.3	-68.6	161	0	0	0	109.6	I697 L698 V701 I714 D785 Y786 T792 V793 F829 L833 L845	I697-I789 HydrophobicContact CG2-CB 4.39Å; I697-I789 HydrophobicContact CG2-CG1 3.89Å; I697-I789 HydrophobicContact CG2-CG2 4.06Å; L698-I789 HydrophobicContact CD2-CD1 4.46Å; L698-I789 HydrophobicContact CD2-CG2 4.18Å; V701-I789 HydrophobicContact CB-CD1 4Å; V701-I789 HydrophobicContact CG1-CD1 3.94Å; V701-I789 HydrophobicContact CG2-CD1 4.02Å; V701-I789 HydrophobicContact CG2-CG1 4.15Å; I714-I789 HydrophobicContact CD1-CG1 4.36Å; I714-I789 HydrophobicContact CG2-CG1 4.43Å; D785-I789 WeakPolarHBondContact O-CB 3.43Å; D785-I789 WeakPolarHBondContact O-CD1 3.32Å; D785-I789 WeakPolarHBondContact O-CG1 3.13Å; D785-I789 PolarHBondContact O-N 2.79Å; Y786-I789 PolarHBondContact O-N 3.43Å; I789-T792 PolarHBondContact O-N 2.81Å; I789-V793 HydrophobicContact CG2-CG2 4.45Å; I789-V793 WeakPolarHBondContact O-CG2 3.23Å; I789-V793 PolarHBondContact O-N 2.86Å; I789-F829 HydrophobicContact CG2-CZ 4.04Å; I789-L833 HydrophobicContact CB-CD1 4.22Å; I789-L833 HydrophobicContact CG2-CD1 3.72Å; I789-L845 HydrophobicContact CD1-CD1 4.4Å; I789-L845 HydrophobicContact CD1-CD2 4.21Å
790	A	98.4	Very high	96.6	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-58.9	-50.7	177.6	0	0	0	0	0	111.2	Y786 F787 T792 V793 Y794 M802 F830 L833 L834	Y786-A790 PolarHBondContact O-N 2.56Å; F787-A790 WeakPolarHBondContact O-CB 3.35Å; F787-A790 PolarHBondContact O-N 2.94Å; A790-T792 VanDerWaalsContact C-N 3.3Å; A790-T792 PolarHBondContact O-N 2.61Å; A790-V793 PolarHBondContact O-N 2.83Å; A790-Y794 VanDerWaalsContact O-CB 3.28Å; A790-Y794 WeakPolarHBondContact O-CB 3.48Å; A790-Y794 PolarHBondContact O-N 3.43Å; A790-M802 HydrophobicContact CB-CE 4.09Å; A790-M802 HydrophobicContact CB-SD 4.05Å; A790-F830 HydrophobicContact CB-CD1 4Å; A790-F830 HydrophobicContact CB-CE1 4.05Å; A790-F830 WeakPolarHBondContact O-CE1 3.32Å; A790-L833 HydrophobicContact CB-CB 4.18Å; A790-L833 HydrophobicContact CB-CD1 4.14Å; A790-L834 HydrophobicContact CB-CD2 4.07Å; A790-L834 HydrophobicContact CB-CG 4.43Å
791	G	97.3	Very high	96.5	Very high	15 Å²	15	17.5 Å²	17.5	16%	0.155	9%	0.088	C	C	.	.	H	α-helix	trans	-58.3	-39.2	177.1	0	0	0	0	0	113.3	F787 G788 C795	F787-G791 PolarHBondContact O-N 2.86Å; G788-G791 PolarHBondContact O-N 2.85Å; G791-C795 PolarHBondContact O-N 3.24Å; G791-C795 VanDerWaalsContact O-N 3.08Å
792	T	98.1	Very high	96.4	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	9%	0.091	C	C	.	.	H	α-helix	trans	-65.8	-51	176.3	-60.5	0	0	0	0	111.5	L670 I697 K715 P716 F719 G788 I789 A790 Y794 C795 L796	L670-T792 HydrophobicContact CD2-CG2 4.22Å; I697-T792 HydrophobicContact CD1-CG2 3.67Å; K715-T792 WeakPolarHBondContact CA-OG1 3.16Å; P716-T792 HydrophobicContact CG-CG2 4.04Å; F719-T792 HydrophobicContact CD2-CG2 4.18Å; F719-T792 HydrophobicContact CE2-CG2 4.18Å; G788-T792 VanDerWaalsContact O-CB 3.27Å; G788-T792 WeakPolarHBondContact O-CB 3.42Å; G788-T792 PolarHBondContact O-N 2.92Å; G788-T792 PolarHBondContact O-OG1 3.49Å; I789-T792 PolarHBondContact O-N 2.81Å; A790-T792 VanDerWaalsContact C-N 3.3Å; A790-T792 PolarHBondContact O-N 2.61Å; T792-Y794 VanDerWaalsContact C-N 3.33Å; T792-Y794 PolarHBondContact O-N 3.35Å; T792-C795 WeakPolarHBondContact O-CB 3.5Å; T792-C795 PolarHBondContact O-N 3.28Å; T792-C795 VanDerWaalsContact O-N 3.14Å; T792-L796 WeakPolarHBondContact O-CG 3.37Å; T792-L796 PolarHBondContact O-N 3.27Å; T792-L796 VanDerWaalsContact O-N 3.15Å
793	V	98.4	Very high	96.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-67.3	-33.5	-179.9	173.4	0	0	0	0	111.9	V690 A694 I789 A790 C795 L796 L797 W826 F829 F830	V690-V793 HydrophobicContact CG1-CG1 4.42Å; A694-V793 HydrophobicContact CB-CG1 4.24Å; A694-V793 HydrophobicContact CB-CG2 3.72Å; I789-V793 HydrophobicContact CG2-CG2 4.45Å; I789-V793 WeakPolarHBondContact O-CG2 3.23Å; I789-V793 PolarHBondContact O-N 2.86Å; A790-V793 PolarHBondContact O-N 2.83Å; V793-C795 VanDerWaalsContact C-N 3.34Å; V793-L796 WeakPolarHBondContact O-CB 3.42Å; V793-L796 PolarHBondContact O-N 3.31Å; V793-L797 HydrophobicContact CG1-CD1 4.33Å; V793-L797 WeakPolarHBondContact O-CG 3.45Å; V793-L797 PolarHBondContact O-N 3.3Å; V793-W826 HydrophobicContact CG1-CE3 4.3Å; V793-W826 HydrophobicContact CG1-CH2 4.32Å; V793-W826 HydrophobicContact CG1-CZ3 3.67Å; V793-F829 HydrophobicContact CB-CE1 3.94Å; V793-F829 HydrophobicContact CB-CZ 4.12Å; V793-F829 HydrophobicContact CG1-CE1 3.75Å; V793-F829 HydrophobicContact CG1-CZ 4.11Å; V793-F829 HydrophobicContact CG2-CE1 4.31Å; V793-F829 HydrophobicContact CG2-CZ 3.96Å; V793-F830 HydrophobicContact CG1-CZ 4.43Å
794	Y	97.4	Very high	96.1	Very high	7 Å²	7	24.1 Å²	24.1	3%	0.027	12%	0.122	C	C	.	.	H	α-helix	trans	-59.1	-45.8	170.2	-173.2	-82.4	0	0	0	111.3	A790 T792 L796 L797 F798 T800 M802 T813 N814 G815 F830	A790-Y794 VanDerWaalsContact O-CB 3.28Å; A790-Y794 WeakPolarHBondContact O-CB 3.48Å; A790-Y794 PolarHBondContact O-N 3.43Å; T792-Y794 VanDerWaalsContact C-N 3.33Å; T792-Y794 PolarHBondContact O-N 3.35Å; Y794-L796 VanDerWaalsContact C-N 3.28Å; Y794-L796 PolarHBondContact O-N 3.15Å; Y794-L797 PolarHBondContact O-N 3.21Å; Y794-F798 HydrophobicContact CD1-CB 4.34Å; Y794-F798 HydrophobicContact CD1-CD2 4.02Å; Y794-F798 AromaticContact CD2-CD2 3.66Å; Y794-F798 HydrophobicContact CD2-CD2 3.66Å; Y794-F798 AromaticContact CD2-CE2 3.81Å; Y794-F798 HydrophobicContact CD2-CE2 3.81Å; Y794-F798 HydrophobicContact CE1-CB 3.88Å; Y794-F798 AromaticContact CE1-CD2 3.84Å; Y794-F798 HydrophobicContact CE1-CD2 3.84Å; Y794-F798 HydrophobicContact CE1-CG 4.07Å; Y794-F798 AromaticContact CE2-CD2 3.46Å; Y794-F798 HydrophobicContact CE2-CD2 3.46Å; Y794-F798 VanDerWaalsContact CE2-CD2 3.46Å; Y794-F798 AromaticContact CE2-CE2 3.55Å; Y794-F798 HydrophobicContact CE2-CE2 3.55Å; Y794-F798 HydrophobicContact CE2-CG 4.25Å; Y794-F798 HydrophobicContact CE2-CZ 4.38Å; Y794-F798 AromaticContact CG-CD2 3.92Å; Y794-F798 HydrophobicContact CG-CD2 3.92Å; Y794-F798 HydrophobicContact CG-CE2 4.48Å; Y794-F798 AromaticContact CZ-CD2 3.53Å; Y794-F798 AromaticContact CZ-CG 3.87Å; Y794-F798 WeakPolarHBondContact O-CD2 3.33Å; Y794-F798 PolarHBondContact O-N 2.84Å; Y794-T800 WeakPolarHBondContact CD1-O 3.32Å; Y794-M802 VanDerWaalsContact CD1-CA 3.46Å; Y794-M802 HydrophobicContact CD1-CB 3.74Å; Y794-M802 HydrophobicContact CD1-CG 4.32Å; Y794-M802 HydrophobicContact CD2-CB 4.26Å; Y794-M802 HydrophobicContact CD2-CG 3.94Å; Y794-M802 HydrophobicContact CD2-SD 4.48Å; Y794-M802 HydrophobicContact CE1-CB 4.4Å; Y794-M802 HydrophobicContact CE2-CG 4.49Å; Y794-M802 HydrophobicContact CG-CB 3.68Å; Y794-M802 HydrophobicContact CG-CG 3.86Å; Y794-M802 HydrophobicContact CG-SD 4.45Å; Y794-T813 HydrophobicContact CD2-CG2 4.19Å; Y794-N814 VanDerWaalsContact CZ-OD1 3.31Å; Y794-N814 PolarHBondContact OH-OD1 2.89Å; Y794-G815 WeakPolarHBondContact OH-CA 3.47Å; Y794-G815 PolarHBondContact OH-N 2.8Å; Y794-F830 HydrophobicContact CD2-CE1 4.31Å; Y794-F830 HydrophobicContact CD2-CZ 4.18Å
795	C	96.3	Very high	96	Very high	2 Å²	2	27 Å²	27	1%	0.014	14%	0.139	C	C	.	.	H	α-helix	trans	-59.8	-37.3	176.7	-165	0	0	0	0	112.3	P716 G791 T792 V793 G799 T800	P716-C795 HydrophobicContact CG-CB 3.73Å; G791-C795 PolarHBondContact O-N 3.24Å; G791-C795 VanDerWaalsContact O-N 3.08Å; T792-C795 WeakPolarHBondContact O-CB 3.5Å; T792-C795 PolarHBondContact O-N 3.28Å; T792-C795 VanDerWaalsContact O-N 3.14Å; V793-C795 VanDerWaalsContact C-N 3.34Å; C795-G799 VanDerWaalsContact O-CA 3.26Å; C795-G799 WeakPolarHBondContact O-CA 3.2Å; C795-G799 PolarHBondContact O-N 2.86Å; C795-T800 WeakPolarHBondContact CA-O 3.45Å
796	L	96.6	Very high	95.8	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-64	-42.2	172.1	-55.9	-175.4	0	0	0	112.7	L670 V674 M685 V690 F693 T792 V793 Y794	L670-L796 HydrophobicContact CD1-CD2 4.02Å; L670-L796 HydrophobicContact CD2-CD1 4.49Å; L670-L796 HydrophobicContact CD2-CD2 4.03Å; L670-L796 HydrophobicContact CG-CD2 3.85Å; V674-L796 HydrophobicContact CG2-CD2 3.57Å; M685-L796 WeakPolarHBondContact CB-O 3.42Å; M685-L796 HydrophobicContact CE-CD2 3.89Å; M685-L796 HydrophobicContact SD-CD2 4.16Å; V690-L796 HydrophobicContact CB-CB 4.32Å; V690-L796 HydrophobicContact CG1-CB 3.64Å; V690-L796 HydrophobicContact CG1-CD1 4.18Å; V690-L796 HydrophobicContact CG2-CB 4Å; F693-L796 HydrophobicContact CB-CD1 3.73Å; T792-L796 WeakPolarHBondContact O-CG 3.37Å; T792-L796 PolarHBondContact O-N 3.27Å; T792-L796 VanDerWaalsContact O-N 3.15Å; V793-L796 WeakPolarHBondContact O-CB 3.42Å; V793-L796 PolarHBondContact O-N 3.31Å; Y794-L796 VanDerWaalsContact C-N 3.28Å; Y794-L796 PolarHBondContact O-N 3.15Å
797	L	95.4	Very high	95.6	Very high	9 Å²	9	35.4 Å²	35.4	5%	0.047	18%	0.181	C	C	.	.	H	α-helix	trans	-74.3	-29.7	-176.9	-74.2	173.6	0	0	0	114.5	V690 V793 Y794 F817 K820 W826 F830	V690-L797 HydrophobicContact CB-CD2 4.31Å; V690-L797 HydrophobicContact CG1-CD2 3.64Å; V690-L797 HydrophobicContact CG1-CG 3.8Å; V690-L797 HydrophobicContact CG2-CD2 4.48Å; V793-L797 HydrophobicContact CG1-CD1 4.33Å; V793-L797 WeakPolarHBondContact O-CG 3.45Å; V793-L797 PolarHBondContact O-N 3.3Å; Y794-L797 PolarHBondContact O-N 3.21Å; L797-F817 HydrophobicContact CD1-CE1 4.15Å; L797-K820 PolarHBondContact O-NZ 3.42Å; L797-W826 HydrophobicContact CD1-CD2 3.89Å; L797-W826 HydrophobicContact CD1-CE3 3.99Å; L797-W826 HydrophobicContact CD1-CG 4.19Å; L797-W826 HydrophobicContact CD1-CZ3 4.47Å; L797-W826 HydrophobicContact CD2-CD2 4.32Å; L797-W826 HydrophobicContact CD2-CZ2 3.98Å; L797-F830 HydrophobicContact CD1-CE2 3.7Å; L797-F830 HydrophobicContact CD1-CZ 3.98Å
798	F	93.9	Very high	95.2	Very high	37 Å²	37	39 Å²	39	16%	0.162	22%	0.224	C	C	.	.	H	α-helix	trans	-126	-15.2	-169.1	-64.7	-82.3	0	0	0	114.7	Y794 T800 F817	Y794-F798 HydrophobicContact CD1-CB 4.34Å; Y794-F798 HydrophobicContact CD1-CD2 4.02Å; Y794-F798 AromaticContact CD2-CD2 3.66Å; Y794-F798 HydrophobicContact CD2-CD2 3.66Å; Y794-F798 AromaticContact CD2-CE2 3.81Å; Y794-F798 HydrophobicContact CD2-CE2 3.81Å; Y794-F798 HydrophobicContact CE1-CB 3.88Å; Y794-F798 AromaticContact CE1-CD2 3.84Å; Y794-F798 HydrophobicContact CE1-CD2 3.84Å; Y794-F798 HydrophobicContact CE1-CG 4.07Å; Y794-F798 AromaticContact CE2-CD2 3.46Å; Y794-F798 HydrophobicContact CE2-CD2 3.46Å; Y794-F798 VanDerWaalsContact CE2-CD2 3.46Å; Y794-F798 AromaticContact CE2-CE2 3.55Å; Y794-F798 HydrophobicContact CE2-CE2 3.55Å; Y794-F798 HydrophobicContact CE2-CG 4.25Å; Y794-F798 HydrophobicContact CE2-CZ 4.38Å; Y794-F798 AromaticContact CG-CD2 3.92Å; Y794-F798 HydrophobicContact CG-CD2 3.92Å; Y794-F798 HydrophobicContact CG-CE2 4.48Å; Y794-F798 AromaticContact CZ-CD2 3.53Å; Y794-F798 AromaticContact CZ-CG 3.87Å; Y794-F798 WeakPolarHBondContact O-CD2 3.33Å; Y794-F798 PolarHBondContact O-N 2.84Å; F798-T800 PolarHBondContact O-N 3.5Å; F798-F817 AromaticContact CE2-CE1 3.77Å; F798-F817 HydrophobicContact CE2-CE1 3.77Å; F798-F817 AromaticContact CE2-CZ 3.76Å; F798-F817 HydrophobicContact CE2-CZ 3.76Å; F798-F817 HydrophobicContact CZ-CD1 4.14Å; F798-F817 AromaticContact CZ-CE1 3.79Å; F798-F817 HydrophobicContact CZ-CE1 3.79Å; F798-F817 HydrophobicContact CZ-CE2 4.36Å; F798-F817 AromaticContact CZ-CZ 3.9Å; F798-F817 HydrophobicContact CZ-CZ 3.9Å
799	G	93.3	Very high	94.9	Very high	5 Å²	5	41 Å²	41	5%	0.052	25%	0.245	C	C	.	.	S	Bend	trans	75	5.8	-178.2	0	0	0	0	0	114.8	R678 C795	R678-G799 WeakPolarHBondContact CD-O 3.32Å; R678-G799 PolarHBondContact NH1-O 3.45Å; C795-G799 VanDerWaalsContact O-CA 3.26Å; C795-G799 WeakPolarHBondContact O-CA 3.2Å; C795-G799 PolarHBondContact O-N 2.86Å
800	T	91.7	Very high	94.8	Very high	68 Å²	68	43.7 Å²	43.7	42%	0.417	26%	0.261	S	S	.	.	S	Bend	trans	-131.4	162.5	-176.5	54.3	0	0	0	0	110.3	Y794 C795 F798	Y794-T800 WeakPolarHBondContact CD1-O 3.32Å; C795-T800 WeakPolarHBondContact CA-O 3.45Å; F798-T800 PolarHBondContact O-N 3.5Å
801	Y	92.1	Very high	94.7	Very high	136 Å²	136	45.7 Å²	45.7	53%	0.533	27%	0.268	S	S	.	.			trans	-71.9	147.6	174.7	-64.5	-62.9	0	0	0	111.7
802	M	94.8	Very high	94.6	Very high	20 Å²	20	48.9 Å²	48.9	10%	0.099	28%	0.279	C	S	.	.			trans	-69.1	139.1	176.9	-170.8	173.6	71.7	0	0	110.5	F787 A790 Y794 V804 T813 F830 L834	F787-M802 HydrophobicContact CD1-CE 4.49Å; F787-M802 HydrophobicContact CD2-CE 4.07Å; F787-M802 HydrophobicContact CE1-CE 4.16Å; F787-M802 HydrophobicContact CE2-CE 3.71Å; F787-M802 HydrophobicContact CG-CE 4.45Å; F787-M802 HydrophobicContact CZ-CE 3.76Å; A790-M802 HydrophobicContact CB-CE 4.09Å; A790-M802 HydrophobicContact CB-SD 4.05Å; Y794-M802 VanDerWaalsContact CD1-CA 3.46Å; Y794-M802 HydrophobicContact CD1-CB 3.74Å; Y794-M802 HydrophobicContact CD1-CG 4.32Å; Y794-M802 HydrophobicContact CD2-CB 4.26Å; Y794-M802 HydrophobicContact CD2-CG 3.94Å; Y794-M802 HydrophobicContact CD2-SD 4.48Å; Y794-M802 HydrophobicContact CE1-CB 4.4Å; Y794-M802 HydrophobicContact CE2-CG 4.49Å; Y794-M802 HydrophobicContact CG-CB 3.68Å; Y794-M802 HydrophobicContact CG-CG 3.86Å; Y794-M802 HydrophobicContact CG-SD 4.45Å; M802-V804 HydrophobicContact CE-CG1 4.04Å; M802-V804 HydrophobicContact CG-CG1 4.29Å; M802-V804 HydrophobicContact SD-CG1 4.35Å; M802-T813 HydrophobicContact CG-CG2 3.78Å; M802-T813 HydrophobicContact SD-CG2 3.52Å; M802-T813 VanDerWaalsContact SD-CG2 3.52Å; M802-F830 HydrophobicContact SD-CD1 4.39Å; M802-F830 HydrophobicContact SD-CE1 4.21Å; M802-L834 HydrophobicContact CE-CD2 4.01Å
803	Q	93.4	Very high	94.4	Very high	131 Å²	131	49.6 Å²	49.6	61%	0.612	28%	0.284	S	S	*	.			trans	-120.7	146.6	160.9	-58.1	170.4	-23.5	0	0	107.8	T813 N814	Q803-T813 CarbonylContact O-C 3.03Å; Q803-T813 WeakPolarHBondContact O-CA 3.43Å; Q803-N814 HydrophobicContact CB-CB 4.27Å; Q803-N814 PolarHBondContact N-OD1 2.94Å; Q803-N814 PolarHBondContact O-N 2.82Å; Q803-N814 PolarHBondContact O-OD1 3.2Å; Q803-N814 PolarHBondContact OE1-ND2 3.49Å; Q803-N814 VanDerWaalsContact OE1-ND2 3.08Å
804	V	94.7	Very high	94.1	Very high	28 Å²	28	52.7 Å²	52.7	17%	0.17	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	143.8	179.4	-65.2	0	0	0	0	111.5	L775 F787 M802 W811 Q812 L834	L775-V804 HydrophobicContact CD1-CG2 3.59Å; F787-V804 HydrophobicContact CE2-CG1 3.99Å; F787-V804 HydrophobicContact CE2-CG2 4.06Å; F787-V804 HydrophobicContact CZ-CG2 4.41Å; M802-V804 HydrophobicContact CE-CG1 4.04Å; M802-V804 HydrophobicContact CG-CG1 4.29Å; M802-V804 HydrophobicContact SD-CG1 4.35Å; V804-W811 HydrophobicContact CB-CE3 4.04Å; V804-W811 HydrophobicContact CB-CZ3 4.49Å; V804-W811 HydrophobicContact CG2-CE3 3.9Å; V804-W811 HydrophobicContact CG2-CZ3 3.97Å; V804-Q812 CarbonylContact C-O 3.6Å; V804-Q812 VanDerWaalsContact CA-O 3.23Å; V804-Q812 WeakPolarHBondContact CA-O 3.25Å; V804-L834 HydrophobicContact CG1-CD1 4.02Å; V804-L834 HydrophobicContact CG1-CD2 4.27Å
805	V	94.1	Very high	93.6	Very high	67 Å²	67	52.9 Å²	52.9	41%	0.406	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	147.5	174.4	-66.1	0	0	0	0	108.8	E807 W811 Q812	V805-E807 HydrophobicContact CG2-CG 4.35Å; V805-W811 WeakPolarHBondContact O-CA 3.34Å; V805-Q812 HydrophobicContact CG2-CB 4.36Å; V805-Q812 PolarHBondContact N-O 3.39Å; V805-Q812 PolarHBondContact O-N 3.32Å
806	N	94.5	Very high	93.2	Very high	74 Å²	74	59.2 Å²	59.2	40%	0.396	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	118.5	172.5	-167.4	-77.7	0	0	0	109.4	G809 V810 W811	N806-G809 VanDerWaalsContact ND2-C 3.35Å; N806-G809 PolarHBondContact ND2-O 2.88Å; N806-G809 VanDerWaalsContact ND2-O 3.1Å; N806-G809 WeakPolarHBondContact OD1-CA 3.45Å; N806-G809 PolarHBondContact OD1-N 2.9Å; N806-V810 WeakPolarHBondContact CA-O 3.4Å; N806-W811 HydrophobicContact CB-CD2 3.96Å; N806-W811 HydrophobicContact CB-CE3 3.82Å; N806-W811 HydrophobicContact CB-CH2 4.05Å; N806-W811 HydrophobicContact CB-CZ2 4.18Å; N806-W811 HydrophobicContact CB-CZ3 3.87Å; N806-W811 PolarHBondContact ND2-NE1 3.24Å
807	E	93.1	Very high	92.9	Very high	115 Å²	115	59.9 Å²	59.9	54%	0.537	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	115	177	-63.8	-172.8	165.5	0	0	108.8	V805 G809 V810 Q812	V805-E807 HydrophobicContact CG2-CG 4.35Å; E807-G809 PolarHBondContact O-N 3.44Å; E807-G809 VanDerWaalsContact O-N 3.15Å; E807-V810 PolarHBondContact N-O 3.31Å; E807-V810 PolarHBondContact O-N 2.88Å; E807-Q812 PolarHBondContact OE2-NE2 3.11Å
808	G	89.8	Confident	92.3	Very high	94 Å²	94	69.4 Å²	69.4	97%	0.969	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	21.1	178	0	0	0	0	0	115.2
809	G	90.5	Very high	91.9	Very high	52 Å²	52	78.8 Å²	78.8	54%	0.536	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.3	-16.3	-173.8	0	0	0	0	0	114.1	N806 E807	N806-G809 VanDerWaalsContact ND2-C 3.35Å; N806-G809 PolarHBondContact ND2-O 2.88Å; N806-G809 VanDerWaalsContact ND2-O 3.1Å; N806-G809 WeakPolarHBondContact OD1-CA 3.45Å; N806-G809 PolarHBondContact OD1-N 2.9Å; E807-G809 PolarHBondContact O-N 3.44Å; E807-G809 VanDerWaalsContact O-N 3.15Å
810	V	96.1	Very high	91.6	Very high	55 Å²	55	81.1 Å²	81.1	33%	0.333	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	128.3	-178.8	-177.6	0	0	0	0	110.6	N806 E807 Q812	N806-V810 WeakPolarHBondContact CA-O 3.4Å; E807-V810 PolarHBondContact N-O 3.31Å; E807-V810 PolarHBondContact O-N 2.88Å; V810-Q812 HydrophobicContact CG1-CG 4.4Å
811	W	96.9	Very high	91.6	Very high	42 Å²	42	80.7 Å²	80.7	16%	0.159	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	127.3	172.3	-68.9	103.7	0	0	0	111.4	T772 L775 V804 V805 N806 L834 N835	T772-W811 HydrophobicContact CG2-CB 3.68Å; T772-W811 HydrophobicContact CG2-CD2 3.6Å; T772-W811 HydrophobicContact CG2-CE3 4.18Å; T772-W811 HydrophobicContact CG2-CG 3.37Å; L775-W811 HydrophobicContact CB-CH2 3.66Å; L775-W811 HydrophobicContact CB-CZ2 3.85Å; L775-W811 HydrophobicContact CD1-CH2 3.93Å; L775-W811 HydrophobicContact CD1-CZ3 4.02Å; L775-W811 HydrophobicContact CG-CH2 4.41Å; V804-W811 HydrophobicContact CB-CE3 4.04Å; V804-W811 HydrophobicContact CB-CZ3 4.49Å; V804-W811 HydrophobicContact CG2-CE3 3.9Å; V804-W811 HydrophobicContact CG2-CZ3 3.97Å; V805-W811 WeakPolarHBondContact O-CA 3.34Å; N806-W811 HydrophobicContact CB-CD2 3.96Å; N806-W811 HydrophobicContact CB-CE3 3.82Å; N806-W811 HydrophobicContact CB-CH2 4.05Å; N806-W811 HydrophobicContact CB-CZ2 4.18Å; N806-W811 HydrophobicContact CB-CZ3 3.87Å; N806-W811 PolarHBondContact ND2-NE1 3.24Å; W811-L834 HydrophobicContact CB-CB 4.2Å; W811-N835 PolarHBondContact N-OD1 2.91Å; W811-N835 PolarHBondContact O-ND2 2.77Å
812	Q	95.3	Very high	91.7	Very high	82 Å²	82	76.4 Å²	76.4	38%	0.383	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	156.1	177.8	-66.6	-179.1	71.9	0	0	110.4	V804 V805 E807 V810	V804-Q812 CarbonylContact C-O 3.6Å; V804-Q812 VanDerWaalsContact CA-O 3.23Å; V804-Q812 WeakPolarHBondContact CA-O 3.25Å; V805-Q812 HydrophobicContact CG2-CB 4.36Å; V805-Q812 PolarHBondContact N-O 3.39Å; V805-Q812 PolarHBondContact O-N 3.32Å; E807-Q812 PolarHBondContact OE2-NE2 3.11Å; V810-Q812 HydrophobicContact CG1-CG 4.4Å
813	T	94.5	Very high	91.7	Very high	17 Å²	17	76.4 Å²	76.4	10%	0.104	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	156.2	173.5	69.9	0	0	0	0	111.4	Y794 M802 Q803 G815 F817 F830 L834	Y794-T813 HydrophobicContact CD2-CG2 4.19Å; M802-T813 HydrophobicContact CG-CG2 3.78Å; M802-T813 HydrophobicContact SD-CG2 3.52Å; M802-T813 VanDerWaalsContact SD-CG2 3.52Å; Q803-T813 CarbonylContact O-C 3.03Å; Q803-T813 WeakPolarHBondContact O-CA 3.43Å; T813-G815 PolarHBondContact O-N 3.16Å; T813-G815 PolarHBondContact OG1-N 3.01Å; T813-F817 WeakPolarHBondContact OG1-CE2 3.45Å; T813-F830 HydrophobicContact CG2-CB 4.36Å; T813-F830 HydrophobicContact CG2-CD1 3.69Å; T813-F830 HydrophobicContact CG2-CE1 4.21Å; T813-F830 HydrophobicContact CG2-CG 4.05Å; T813-L834 HydrophobicContact CG2-CD1 3.6Å
814	N	90.9	Very high	91.8	Very high	64 Å²	64	76.4 Å²	76.4	34%	0.342	41%	0.409	S	S	.	.	S	Bend	trans	-68.4	10.1	170.4	65.9	-27	0	0	0	114.8	Y794 Q803	Y794-N814 VanDerWaalsContact CZ-OD1 3.31Å; Y794-N814 PolarHBondContact OH-OD1 2.89Å; Q803-N814 HydrophobicContact CB-CB 4.27Å; Q803-N814 PolarHBondContact N-OD1 2.94Å; Q803-N814 PolarHBondContact O-N 2.82Å; Q803-N814 PolarHBondContact O-OD1 3.2Å; Q803-N814 PolarHBondContact OE1-ND2 3.49Å; Q803-N814 VanDerWaalsContact OE1-ND2 3.08Å
815	G	87.1	Confident	91.9	Very high	12 Å²	12	76.2 Å²	76.2	12%	0.124	41%	0.406	C	S	.	.			trans	-81.5	126.2	-174.8	0	0	0	0	0	114.2	Y794 T813 F817	Y794-G815 WeakPolarHBondContact OH-CA 3.47Å; Y794-G815 PolarHBondContact OH-N 2.8Å; T813-G815 PolarHBondContact O-N 3.16Å; T813-G815 PolarHBondContact OG1-N 3.01Å; G815-F817 WeakPolarHBondContact O-CD2 3.38Å; G815-F817 VanDerWaalsContact O-CE2 3.27Å; G815-F817 WeakPolarHBondContact O-CE2 3.45Å; G815-F817 PolarHBondContact O-N 3.2Å; G815-F817 VanDerWaalsContact O-N 3.15Å
816	I	89.3	Confident	92.1	Very high	135 Å²	135	73.1 Å²	73.1	69%	0.692	39%	0.387	S	S	*	.			trans	-82.5	95	172.7	-56.5	177.1	0	0	0	109.6	R818	I816-R818 VanDerWaalsContact C-N 3.3Å; I816-R818 HydrophobicContact CG2-CB 4.12Å; I816-R818 PolarHBondContact O-N 3.09Å
817	F	89.4	Confident	92.2	Very high	15 Å²	15	73.5 Å²	73.5	7%	0.066	39%	0.389	C	S	.	.			trans	-76.8	-11.7	178.2	-64.8	-83.7	0	0	0	114.3	L797 F798 T813 G815 R819 K820 A823 W826 L827 F830	L797-F817 HydrophobicContact CD1-CE1 4.15Å; F798-F817 AromaticContact CE2-CE1 3.77Å; F798-F817 HydrophobicContact CE2-CE1 3.77Å; F798-F817 AromaticContact CE2-CZ 3.76Å; F798-F817 HydrophobicContact CE2-CZ 3.76Å; F798-F817 HydrophobicContact CZ-CD1 4.14Å; F798-F817 AromaticContact CZ-CE1 3.79Å; F798-F817 HydrophobicContact CZ-CE1 3.79Å; F798-F817 HydrophobicContact CZ-CE2 4.36Å; F798-F817 AromaticContact CZ-CZ 3.9Å; F798-F817 HydrophobicContact CZ-CZ 3.9Å; T813-F817 WeakPolarHBondContact OG1-CE2 3.45Å; G815-F817 WeakPolarHBondContact O-CD2 3.38Å; G815-F817 VanDerWaalsContact O-CE2 3.27Å; G815-F817 WeakPolarHBondContact O-CE2 3.45Å; G815-F817 PolarHBondContact O-N 3.2Å; G815-F817 VanDerWaalsContact O-N 3.15Å; F817-R819 PolarHBondContact O-N 3.11Å; F817-R819 VanDerWaalsContact O-N 3.12Å; F817-K820 WeakPolarHBondContact O-CB 3.31Å; F817-K820 PolarHBondContact O-N 3.37Å; F817-A823 HydrophobicContact CB-CB 4.26Å; F817-W826 HydrophobicContact CD1-CB 3.84Å; F817-W826 HydrophobicContact CE1-CB 3.76Å; F817-L827 HydrophobicContact CB-CD2 4.23Å; F817-L827 HydrophobicContact CB-CG 4.25Å; F817-L827 HydrophobicContact CD2-CD2 3.52Å; F817-L827 HydrophobicContact CD2-CG 4.25Å; F817-L827 HydrophobicContact CE2-CD2 4.15Å; F817-L827 HydrophobicContact CG-CD2 3.97Å; F817-L827 HydrophobicContact CG-CG 4.2Å; F817-F830 AromaticContact CE1-CD2 3.85Å; F817-F830 HydrophobicContact CE1-CD2 3.85Å; F817-F830 AromaticContact CE1-CE2 3.65Å; F817-F830 HydrophobicContact CE1-CE2 3.65Å; F817-F830 HydrophobicContact CE2-CD2 4.33Å; F817-F830 AromaticContact CZ-CD2 3.43Å; F817-F830 HydrophobicContact CZ-CD2 3.43Å; F817-F830 VanDerWaalsContact CZ-CD2 3.43Å; F817-F830 AromaticContact CZ-CE2 3.47Å; F817-F830 HydrophobicContact CZ-CE2 3.47Å; F817-F830 VanDerWaalsContact CZ-CE2 3.47Å; F817-F830 HydrophobicContact CZ-CG 4.41Å; F817-F830 HydrophobicContact CZ-CZ 4.44Å
818	R	83.8	Confident	92.4	Very high	209 Å²	209	71 Å²	71	79%	0.789	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	118.1	-179.4	-166.1	-178.3	-175.4	-171.4	3.7	110.6	I816	I816-R818 VanDerWaalsContact C-N 3.3Å; I816-R818 HydrophobicContact CG2-CB 4.12Å; I816-R818 PolarHBondContact O-N 3.09Å
819	R	84.9	Confident	92.8	Very high	233 Å²	233	66.6 Å²	66.6	88%	0.879	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	4.2	-173.8	-47.6	169.2	179	155.9	-2.6	116.2	F817	F817-R819 PolarHBondContact O-N 3.11Å; F817-R819 VanDerWaalsContact O-N 3.12Å
820	K	87.1	Confident	93.2	Very high	54 Å²	54	64.4 Å²	64.4	24%	0.235	31%	0.309	C	S	.	.	S	Bend	trans	-70.7	140	165.8	-66.7	-79.5	-171.3	168.3	0	109.3	L797 F817 H822 A823	L797-K820 PolarHBondContact O-NZ 3.42Å; F817-K820 WeakPolarHBondContact O-CB 3.31Å; F817-K820 PolarHBondContact O-N 3.37Å; K820-H822 PolarHBondContact O-N 3.28Å; K820-A823 PolarHBondContact O-N 3.5Å
821	P	91.1	Very high	93.3	Very high	59 Å²	59	66.2 Å²	66.2	38%	0.383	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	137.3	171.2	-25.9	36.9	0	0	0	111.5	P687 A823 W826	P687-P821 HydrophobicContact CG-CG 4.12Å; P821-A823 VanDerWaalsContact C-N 3.3Å; P821-A823 PolarHBondContact O-N 2.86Å; P821-W826 PolarHBondContact O-NE1 3.23Å
822	H	94.6	Very high	93.3	Very high	47 Å²	47	65.8 Å²	65.8	22%	0.218	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	38.2	-176.9	-45.6	-70.9	0	0	0	113.7	K820 D824 L825 W826 H859 Y860	K820-H822 PolarHBondContact O-N 3.28Å; H822-D824 VanDerWaalsContact C-N 3.28Å; H822-D824 PolarHBondContact O-N 3.03Å; H822-L825 HydrophobicContact CB-CB 4.04Å; H822-L825 HydrophobicContact CB-CD2 4.05Å; H822-L825 WeakPolarHBondContact O-CB 3.36Å; H822-L825 PolarHBondContact O-N 3.39Å; H822-L825 VanDerWaalsContact O-N 3.11Å; H822-W826 PolarHBondContact O-N 3.39Å; H822-W826 VanDerWaalsContact O-N 3.12Å; H822-H859 AromaticContact CE1-CD2 3.54Å; H822-H859 AromaticContact CE1-CG 3.85Å; H822-H859 AromaticContact CE1-NE2 3.88Å; H822-Y860 AromaticContact CD2-CE2 3.95Å; H822-Y860 AromaticContact NE2-CE2 3.42Å; H822-Y860 WeakPolarHBondContact NE2-CE2 3.5Å; H822-Y860 AromaticContact NE2-CZ 3.58Å; H822-Y860 PolarHBondContact NE2-OH 3.37Å
823	A	94.8	Very high	93.5	Very high	19 Å²	19	61.9 Å²	61.9	16%	0.157	30%	0.298	C	S	.	.	H	α-helix	trans	-48.6	-46	-179	0	0	0	0	0	113.4	F817 K820 P821 L825 W826 L827	F817-A823 HydrophobicContact CB-CB 4.26Å; K820-A823 PolarHBondContact O-N 3.5Å; P821-A823 VanDerWaalsContact C-N 3.3Å; P821-A823 PolarHBondContact O-N 2.86Å; A823-L825 VanDerWaalsContact C-N 3.35Å; A823-L825 PolarHBondContact O-N 3.16Å; A823-W826 PolarHBondContact O-N 2.83Å; A823-W826 VanDerWaalsContact O-N 3.17Å; A823-L827 WeakPolarHBondContact O-CG 3.49Å; A823-L827 PolarHBondContact O-N 2.85Å
824	D	95.5	Very high	93.6	Very high	131 Å²	131	61.1 Å²	61.1	70%	0.701	29%	0.293	S	S	*	.	H	α-helix	trans	-66.8	-35.7	-176.8	-42.1	-47.8	0	0	0	112.3	H822 D828	H822-D824 VanDerWaalsContact C-N 3.28Å; H822-D824 PolarHBondContact O-N 3.03Å; D824-D828 WeakPolarHBondContact O-CB 3.38Å; D824-D828 PolarHBondContact O-N 3.28Å
825	L	97.4	Very high	93.9	Very high	24 Å²	24	59.9 Å²	59.9	13%	0.126	29%	0.286	C	S	.	.	H	α-helix	trans	-64.3	-41.2	173.3	179.7	72.9	0	0	0	111.2	L691 H822 A823 F829 R851 L852 V855	L691-L825 HydrophobicContact CD2-CD2 4.31Å; H822-L825 HydrophobicContact CB-CB 4.04Å; H822-L825 HydrophobicContact CB-CD2 4.05Å; H822-L825 WeakPolarHBondContact O-CB 3.36Å; H822-L825 PolarHBondContact O-N 3.39Å; H822-L825 VanDerWaalsContact O-N 3.11Å; A823-L825 VanDerWaalsContact C-N 3.35Å; A823-L825 PolarHBondContact O-N 3.16Å; L825-F829 WeakPolarHBondContact O-CB 3.09Å; L825-F829 PolarHBondContact O-N 3.14Å; L825-R851 HydrophobicContact CD1-CB 4.36Å; L825-L852 HydrophobicContact CD1-CD2 4.14Å; L825-L852 HydrophobicContact CD2-CD2 3.69Å; L825-L852 HydrophobicContact CG-CD2 3.84Å; L825-V855 HydrophobicContact CD2-CB 4.1Å; L825-V855 HydrophobicContact CD2-CG1 4.01Å; L825-V855 HydrophobicContact CD2-CG2 3.92Å
826	W	97.7	Very high	94.4	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-71.2	-43.9	177.5	-65.3	119.3	0	0	0	111.9	V690 L691 V793 L797 F817 P821 H822 A823 D828 F829 F830 L852	V690-W826 HydrophobicContact CG1-CH2 4.01Å; V690-W826 HydrophobicContact CG1-CZ2 4.27Å; L691-W826 HydrophobicContact CD2-CH2 3.68Å; L691-W826 HydrophobicContact CD2-CZ2 3.63Å; L691-W826 HydrophobicContact CG-CH2 4.13Å; L691-W826 HydrophobicContact CG-CZ2 3.85Å; V793-W826 HydrophobicContact CG1-CE3 4.3Å; V793-W826 HydrophobicContact CG1-CH2 4.32Å; V793-W826 HydrophobicContact CG1-CZ3 3.67Å; L797-W826 HydrophobicContact CD1-CD2 3.89Å; L797-W826 HydrophobicContact CD1-CE3 3.99Å; L797-W826 HydrophobicContact CD1-CG 4.19Å; L797-W826 HydrophobicContact CD1-CZ3 4.47Å; L797-W826 HydrophobicContact CD2-CD2 4.32Å; L797-W826 HydrophobicContact CD2-CZ2 3.98Å; F817-W826 HydrophobicContact CD1-CB 3.84Å; F817-W826 HydrophobicContact CE1-CB 3.76Å; P821-W826 PolarHBondContact O-NE1 3.23Å; H822-W826 PolarHBondContact O-N 3.39Å; H822-W826 VanDerWaalsContact O-N 3.12Å; A823-W826 PolarHBondContact O-N 2.83Å; A823-W826 VanDerWaalsContact O-N 3.17Å; W826-D828 VanDerWaalsContact C-N 3.32Å; W826-D828 PolarHBondContact O-N 3.38Å; W826-F829 HydrophobicContact CE3-CD1 4.15Å; W826-F829 HydrophobicContact CE3-CG 4.44Å; W826-F829 HydrophobicContact CZ3-CD1 4.48Å; W826-F829 WeakPolarHBondContact O-CB 3.43Å; W826-F829 PolarHBondContact O-N 3.29Å; W826-F830 HydrophobicContact CB-CD2 4.4Å; W826-F830 HydrophobicContact CB-CE2 4.4Å; W826-F830 WeakPolarHBondContact O-CD2 3.23Å; W826-F830 PolarHBondContact O-N 2.92Å; W826-L852 HydrophobicContact CZ3-CD1 4.43Å; W826-L852 HydrophobicContact CZ3-CD2 4.26Å
827	L	96.4	Very high	94.6	Very high	83 Å²	83	57.1 Å²	57.1	44%	0.435	28%	0.275	S	S	.	.	H	α-helix	trans	-57.2	-46.3	176.6	-73.9	168.7	0	0	0	111.2	F817 A823 F830 H831	F817-L827 HydrophobicContact CB-CD2 4.23Å; F817-L827 HydrophobicContact CB-CG 4.25Å; F817-L827 HydrophobicContact CD2-CD2 3.52Å; F817-L827 HydrophobicContact CD2-CG 4.25Å; F817-L827 HydrophobicContact CE2-CD2 4.15Å; F817-L827 HydrophobicContact CG-CD2 3.97Å; F817-L827 HydrophobicContact CG-CG 4.2Å; A823-L827 WeakPolarHBondContact O-CG 3.49Å; A823-L827 PolarHBondContact O-N 2.85Å; L827-F830 PolarHBondContact O-N 2.91Å; L827-H831 VanDerWaalsContact O-CB 3.25Å; L827-H831 WeakPolarHBondContact O-CB 3.47Å; L827-H831 PolarHBondContact O-N 2.76Å
828	D	97.4	Very high	94.7	Very high	62 Å²	62	60.2 Å²	60.2	33%	0.332	29%	0.292	S	S	.	.	H	α-helix	trans	-67.6	-38.7	176.1	173.4	91.8	0	0	0	113.2	D824 W826 H831 T832 R851	D824-D828 WeakPolarHBondContact O-CB 3.38Å; D824-D828 PolarHBondContact O-N 3.28Å; W826-D828 VanDerWaalsContact C-N 3.32Å; W826-D828 PolarHBondContact O-N 3.38Å; D828-H831 PolarHBondContact O-N 3.32Å; D828-T832 VanDerWaalsContact O-CB 3.28Å; D828-T832 WeakPolarHBondContact O-CB 3.46Å; D828-T832 PolarHBondContact O-N 3.12Å; D828-T832 PolarHBondContact O-OG1 2.87Å; D828-R851 IonicContact OD2-CZ 3.13Å; D828-R851 IonicContact OD2-NH1 2.67Å; D828-R851 PolarHBondContact OD2-NH1 2.99Å; D828-R851 IonicContact OD2-NH2 2.7Å; D828-R851 PolarHBondContact OD2-NH2 3.4Å
829	F	98.4	Very high	95.1	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.009	26%	0.261	C	S	.	.	H	α-helix	trans	-59.8	-49	172.4	168.4	-92	0	0	0	111.8	L698 I789 V793 L825 W826 T832 L833 L848 L852	L698-F829 HydrophobicContact CD1-CE2 4.18Å; L698-F829 HydrophobicContact CD2-CE2 4.37Å; I789-F829 HydrophobicContact CG2-CZ 4.04Å; V793-F829 HydrophobicContact CB-CE1 3.94Å; V793-F829 HydrophobicContact CB-CZ 4.12Å; V793-F829 HydrophobicContact CG1-CE1 3.75Å; V793-F829 HydrophobicContact CG1-CZ 4.11Å; V793-F829 HydrophobicContact CG2-CE1 4.31Å; V793-F829 HydrophobicContact CG2-CZ 3.96Å; L825-F829 WeakPolarHBondContact O-CB 3.09Å; L825-F829 PolarHBondContact O-N 3.14Å; W826-F829 HydrophobicContact CE3-CD1 4.15Å; W826-F829 HydrophobicContact CE3-CG 4.44Å; W826-F829 HydrophobicContact CZ3-CD1 4.48Å; W826-F829 WeakPolarHBondContact O-CB 3.43Å; W826-F829 PolarHBondContact O-N 3.29Å; F829-T832 PolarHBondContact O-N 2.86Å; F829-L833 HydrophobicContact CD1-CD1 4.35Å; F829-L833 HydrophobicContact CD2-CD1 4.23Å; F829-L833 HydrophobicContact CE1-CD1 3.78Å; F829-L833 HydrophobicContact CE2-CD1 3.64Å; F829-L833 HydrophobicContact CZ-CD1 3.39Å; F829-L833 WeakPolarHBondContact O-CG 3.34Å; F829-L833 PolarHBondContact O-N 2.81Å; F829-L833 VanDerWaalsContact O-N 3.11Å; F829-L848 HydrophobicContact CD2-CD1 4.23Å; F829-L848 HydrophobicContact CD2-CD2 4.38Å; F829-L848 HydrophobicContact CE2-CD1 4.49Å; F829-L852 HydrophobicContact CD2-CD1 4.29Å; F829-L852 HydrophobicContact CE2-CD1 4.18Å
830	F	98.3	Very high	95.3	Very high	6 Å²	6	43.5 Å²	43.5	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-65.8	-43	177.1	-78.1	-67.2	0	0	0	111.7	A790 V793 Y794 L797 M802 T813 F817 W826 L827 T832 L833 L834	A790-F830 HydrophobicContact CB-CD1 4Å; A790-F830 HydrophobicContact CB-CE1 4.05Å; A790-F830 WeakPolarHBondContact O-CE1 3.32Å; V793-F830 HydrophobicContact CG1-CZ 4.43Å; Y794-F830 HydrophobicContact CD2-CE1 4.31Å; Y794-F830 HydrophobicContact CD2-CZ 4.18Å; L797-F830 HydrophobicContact CD1-CE2 3.7Å; L797-F830 HydrophobicContact CD1-CZ 3.98Å; M802-F830 HydrophobicContact SD-CD1 4.39Å; M802-F830 HydrophobicContact SD-CE1 4.21Å; T813-F830 HydrophobicContact CG2-CB 4.36Å; T813-F830 HydrophobicContact CG2-CD1 3.69Å; T813-F830 HydrophobicContact CG2-CE1 4.21Å; T813-F830 HydrophobicContact CG2-CG 4.05Å; F817-F830 AromaticContact CE1-CD2 3.85Å; F817-F830 HydrophobicContact CE1-CD2 3.85Å; F817-F830 AromaticContact CE1-CE2 3.65Å; F817-F830 HydrophobicContact CE1-CE2 3.65Å; F817-F830 HydrophobicContact CE2-CD2 4.33Å; F817-F830 AromaticContact CZ-CD2 3.43Å; F817-F830 HydrophobicContact CZ-CD2 3.43Å; F817-F830 VanDerWaalsContact CZ-CD2 3.43Å; F817-F830 AromaticContact CZ-CE2 3.47Å; F817-F830 HydrophobicContact CZ-CE2 3.47Å; F817-F830 VanDerWaalsContact CZ-CE2 3.47Å; F817-F830 HydrophobicContact CZ-CG 4.41Å; F817-F830 HydrophobicContact CZ-CZ 4.44Å; W826-F830 HydrophobicContact CB-CD2 4.4Å; W826-F830 HydrophobicContact CB-CE2 4.4Å; W826-F830 WeakPolarHBondContact O-CD2 3.23Å; W826-F830 PolarHBondContact O-N 2.92Å; L827-F830 PolarHBondContact O-N 2.91Å; F830-T832 VanDerWaalsContact C-N 3.33Å; F830-T832 PolarHBondContact O-N 2.82Å; F830-L833 PolarHBondContact O-N 2.84Å; F830-L834 HydrophobicContact CB-CD1 4.4Å; F830-L834 HydrophobicContact CD1-CD1 4.48Å; F830-L834 VanDerWaalsContact O-CB 3.27Å; F830-L834 WeakPolarHBondContact O-CB 3.49Å; F830-L834 WeakPolarHBondContact O-CG 3.1Å; F830-L834 PolarHBondContact O-N 3.47Å
831	H	97.8	Very high	95.5	Very high	93 Å²	93	43.1 Å²	43.1	43%	0.431	26%	0.261	S	S	.	.	H	α-helix	trans	-58	-47.3	175.6	179.9	-90.3	0	0	0	111.1	L827 D828 L833 L834 N835	L827-H831 VanDerWaalsContact O-CB 3.25Å; L827-H831 WeakPolarHBondContact O-CB 3.47Å; L827-H831 PolarHBondContact O-N 2.76Å; D828-H831 PolarHBondContact O-N 3.32Å; H831-L833 PolarHBondContact O-N 3.11Å; H831-L834 PolarHBondContact O-N 3.48Å; H831-N835 VanDerWaalsContact O-CB 3.28Å; H831-N835 WeakPolarHBondContact O-CB 3.37Å; H831-N835 PolarHBondContact O-N 2.84Å; H831-N835 PolarHBondContact O-ND2 2.94Å
832	T	98.3	Very high	95.6	Very high	32 Å²	32	43 Å²	43	20%	0.196	26%	0.256	C	S	.	.	H	α-helix	trans	-62.2	-40.6	-179.1	-58.6	0	0	0	0	112.8	D828 F829 F830 P843 L848	D828-T832 VanDerWaalsContact O-CB 3.28Å; D828-T832 WeakPolarHBondContact O-CB 3.46Å; D828-T832 PolarHBondContact O-N 3.12Å; D828-T832 PolarHBondContact O-OG1 2.87Å; F829-T832 PolarHBondContact O-N 2.86Å; F830-T832 VanDerWaalsContact C-N 3.33Å; F830-T832 PolarHBondContact O-N 2.82Å; T832-P843 HydrophobicContact CG2-CB 3.53Å; T832-P843 HydrophobicContact CG2-CG 3.85Å; T832-L848 HydrophobicContact CG2-CD1 4.1Å; T832-L848 HydrophobicContact CG2-CD2 4.15Å; T832-L848 HydrophobicContact CG2-CG 4.43Å
833	L	98.3	Very high	95.7	Very high	1 Å²	1	42 Å²	42	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-81	-23.6	-178.5	-66.4	-178.4	0	0	0	114.2	Y786 I789 A790 F829 F830 H831 L845 L848	Y786-L833 HydrophobicContact CD1-CD2 3.56Å; Y786-L833 HydrophobicContact CE1-CD2 4.4Å; Y786-L833 HydrophobicContact CG-CD2 4.1Å; I789-L833 HydrophobicContact CB-CD1 4.22Å; I789-L833 HydrophobicContact CG2-CD1 3.72Å; A790-L833 HydrophobicContact CB-CB 4.18Å; A790-L833 HydrophobicContact CB-CD1 4.14Å; F829-L833 HydrophobicContact CD1-CD1 4.35Å; F829-L833 HydrophobicContact CD2-CD1 4.23Å; F829-L833 HydrophobicContact CE1-CD1 3.78Å; F829-L833 HydrophobicContact CE2-CD1 3.64Å; F829-L833 HydrophobicContact CZ-CD1 3.39Å; F829-L833 WeakPolarHBondContact O-CG 3.34Å; F829-L833 PolarHBondContact O-N 2.81Å; F829-L833 VanDerWaalsContact O-N 3.11Å; F830-L833 PolarHBondContact O-N 2.84Å; H831-L833 PolarHBondContact O-N 3.11Å; L833-L845 HydrophobicContact CD2-CD2 3.97Å; L833-L848 HydrophobicContact CD2-CD1 3.63Å; L833-L848 HydrophobicContact CG-CD1 4.02Å
834	L	97.8	Very high	95.8	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-101.2	-12	-176.5	-61.4	175.2	0	0	0	114.2	T772 F787 A790 M802 V804 W811 T813 F830 H831	T772-L834 WeakPolarHBondContact CB-O 3.42Å; T772-L834 HydrophobicContact CG2-CB 4.23Å; T772-L834 HydrophobicContact CG2-CD2 4.23Å; T772-L834 WeakPolarHBondContact CG2-O 3.42Å; T772-L834 PolarHBondContact OG1-O 2.86Å; T772-L834 VanDerWaalsContact OG1-O 3.13Å; F787-L834 HydrophobicContact CD2-CD2 3.47Å; F787-L834 VanDerWaalsContact CD2-CD2 3.47Å; F787-L834 HydrophobicContact CE2-CD2 3.92Å; F787-L834 HydrophobicContact CG-CD2 4.43Å; A790-L834 HydrophobicContact CB-CD2 4.07Å; A790-L834 HydrophobicContact CB-CG 4.43Å; M802-L834 HydrophobicContact CE-CD2 4.01Å; V804-L834 HydrophobicContact CG1-CD1 4.02Å; V804-L834 HydrophobicContact CG1-CD2 4.27Å; W811-L834 HydrophobicContact CB-CB 4.2Å; T813-L834 HydrophobicContact CG2-CD1 3.6Å; F830-L834 HydrophobicContact CB-CD1 4.4Å; F830-L834 HydrophobicContact CD1-CD1 4.48Å; F830-L834 VanDerWaalsContact O-CB 3.27Å; F830-L834 WeakPolarHBondContact O-CB 3.49Å; F830-L834 WeakPolarHBondContact O-CG 3.1Å; F830-L834 PolarHBondContact O-N 3.47Å; H831-L834 PolarHBondContact O-N 3.48Å
835	N	97.5	Very high	95.9	Very high	37 Å²	37	38.9 Å²	38.9	20%	0.198	24%	0.241	C	C	.	.			trans	-124.9	47.1	-175.3	-59.8	-87.5	0	0	0	111.5	W811 H831	W811-N835 PolarHBondContact N-OD1 2.91Å; W811-N835 PolarHBondContact O-ND2 2.77Å; H831-N835 VanDerWaalsContact O-CB 3.28Å; H831-N835 WeakPolarHBondContact O-CB 3.37Å; H831-N835 PolarHBondContact O-N 2.84Å; H831-N835 PolarHBondContact O-ND2 2.94Å
836	V	96.8	Very high	95.8	Very high	6 Å²	6	41 Å²	41	4%	0.036	25%	0.251	C	S	.	.			trans	-65.6	130.6	171.9	-175.4	0	0	0	0	108.8	Q783 Y786 D838 L842 P843	Q783-V836 HydrophobicContact CG-CB 3.78Å; Q783-V836 HydrophobicContact CG-CG1 3.78Å; Q783-V836 HydrophobicContact CG-CG2 3.95Å; Y786-V836 HydrophobicContact CD1-CG2 4.44Å; V836-D838 WeakPolarHBondContact CG1-O 3.35Å; V836-L842 HydrophobicContact CG1-CD2 4.11Å; V836-P843 HydrophobicContact CG2-CG 4.06Å
837	P	92.7	Very high	95.8	Very high	83 Å²	83	42.3 Å²	42.3	54%	0.539	26%	0.264	S	S	.	.			trans	-65.2	-49.1	-175.9	-23.5	34.4	0	0	0	113.3	A841	P837-A841 HydrophobicContact CB-CB 4.3Å; P837-A841 HydrophobicContact CG-CB 4.19Å
838	D	91.5	Very high	95.8	Very high	81 Å²	81	38.8 Å²	38.8	43%	0.433	25%	0.246	S	C	.	.	S	Bend	trans	-161	179.6	-172.8	61.5	72.7	0	0	0	110.7	Q783 V836 G840 A841	Q783-D838 PolarHBondContact NE2-O 3.48Å; V836-D838 WeakPolarHBondContact CG1-O 3.35Å; D838-G840 PolarHBondContact O-N 3.46Å; D838-G840 WeakPolarHBondContact OD1-CA 3.38Å; D838-G840 PolarHBondContact OD1-N 3.38Å; D838-A841 PolarHBondContact OD1-N 3.34Å
839	C	92.3	Very high	95.8	Very high	20 Å²	20	36 Å²	36	14%	0.135	23%	0.231	C	C	.	.	S	Bend	trans	-77.2	-12.4	-176.8	-60.8	0	0	0	0	115.5	Q783	Q783-C839 PolarHBondContact NE2-SG 2.95Å; Q783-C839 VanDerWaalsContact NE2-SG 3.37Å
840	G	89.3	Confident	95.8	Very high	70 Å²	70	42.1 Å²	42.1	72%	0.722	25%	0.254	S	S	*	.	S	Bend	trans	-91.9	-32.1	173.8	0	0	0	0	0	112.8	D838 L842	D838-G840 PolarHBondContact O-N 3.46Å; D838-G840 WeakPolarHBondContact OD1-CA 3.38Å; D838-G840 PolarHBondContact OD1-N 3.38Å; G840-L842 VanDerWaalsContact C-N 3.33Å; G840-L842 PolarHBondContact O-N 3.04Å
841	A	91	Very high	95.7	Very high	47 Å²	47	46.8 Å²	46.8	39%	0.388	27%	0.271	S	S	.	.	S	Bend	trans	-89.4	45.7	-177.5	0	0	0	0	0	114	P837 D838	P837-A841 HydrophobicContact CB-CB 4.3Å; P837-A841 HydrophobicContact CG-CB 4.19Å; D838-A841 PolarHBondContact OD1-N 3.34Å
842	L	94.7	Very high	95.7	Very high	55 Å²	55	42.5 Å²	42.5	29%	0.288	25%	0.251	S	S	.	.			trans	-67.6	129.9	-178.7	-58.8	178.4	0	0	0	112.1	Y782 Q783 V836 G840	Y782-L842 HydrophobicContact CD2-CD1 3.65Å; Y782-L842 HydrophobicContact CE2-CD1 4.46Å; Y782-L842 HydrophobicContact CG-CD1 3.97Å; Q783-L842 HydrophobicContact CG-CD2 4.27Å; V836-L842 HydrophobicContact CG1-CD2 4.11Å; G840-L842 VanDerWaalsContact C-N 3.33Å; G840-L842 PolarHBondContact O-N 3.04Å
843	P	95.6	Very high	95.7	Very high	27 Å²	27	41.2 Å²	41.2	18%	0.175	24%	0.244	C	C	.	.			trans	-76.5	147.4	-178.8	25.2	-28	0	0	0	113.1	Y786 T832 V836 L845	Y786-P843 HydrophobicContact CD1-CG 4.01Å; Y786-P843 HydrophobicContact CE1-CG 3.74Å; Y786-P843 WeakPolarHBondContact CE1-O 3.38Å; Y786-P843 PolarHBondContact OH-O 2.94Å; T832-P843 HydrophobicContact CG2-CB 3.53Å; T832-P843 HydrophobicContact CG2-CG 3.85Å; V836-P843 HydrophobicContact CG2-CG 4.06Å; P843-L845 PolarHBondContact O-N 3.38Å; P843-L845 VanDerWaalsContact O-N 3.07Å
844	S	96.8	Very high	95.6	Very high	76 Å²	76	43.6 Å²	43.6	53%	0.531	26%	0.264	S	S	.	.			trans	-70.7	106.2	-174.5	-174.7	0	0	0	0	113.3	Q846 G847 L848	S844-Q846 PolarHBondContact O-N 3.26Å; S844-G847 WeakPolarHBondContact O-CA 3.48Å; S844-G847 PolarHBondContact O-N 3.49Å; S844-G847 PolarHBondContact OG-N 3.43Å; S844-G847 VanDerWaalsContact OG-N 3.13Å; S844-L848 PolarHBondContact O-N 2.87Å; S844-L848 VanDerWaalsContact O-N 3.07Å
845	L	97.4	Very high	95.5	Very high	9 Å²	9	44.7 Å²	44.7	5%	0.047	27%	0.27	C	S	.	.	H	α-helix	trans	-55.4	-37.8	169.6	-60.1	-177.4	0	0	0	111.9	L698 V701 Y786 I789 L833 P843 G847 L848 R849	L698-L845 HydrophobicContact CD2-CB 4.26Å; L698-L845 HydrophobicContact CD2-CD2 3.84Å; V701-L845 HydrophobicContact CB-CD1 4.31Å; V701-L845 HydrophobicContact CG1-CD1 3.95Å; Y786-L845 HydrophobicContact CD1-CD2 3.91Å; Y786-L845 HydrophobicContact CE1-CD2 3.54Å; Y786-L845 HydrophobicContact CE1-CG 4.05Å; Y786-L845 HydrophobicContact CE2-CD1 4.24Å; Y786-L845 HydrophobicContact CE2-CD2 4.29Å; Y786-L845 HydrophobicContact CE2-CG 4.4Å; Y786-L845 HydrophobicContact CG-CD2 4.39Å; I789-L845 HydrophobicContact CD1-CD1 4.4Å; I789-L845 HydrophobicContact CD1-CD2 4.21Å; L833-L845 HydrophobicContact CD2-CD2 3.97Å; P843-L845 PolarHBondContact O-N 3.38Å; P843-L845 VanDerWaalsContact O-N 3.07Å; L845-G847 PolarHBondContact O-N 2.89Å; L845-L848 PolarHBondContact O-N 3.25Å; L845-R849 VanDerWaalsContact O-CB 3.32Å; L845-R849 WeakPolarHBondContact O-CB 3.43Å; L845-R849 PolarHBondContact O-N 2.9Å
846	Q	96.4	Very high	95.4	Very high	69 Å²	69	42.9 Å²	42.9	32%	0.322	26%	0.261	S	S	.	.	H	α-helix	trans	-62.1	-40.1	173.9	-171.5	176.3	105.4	0	0	112.2	E702 S844 R849 R850	E702-Q846 WeakPolarHBondContact OE1-CB 3.48Å; E702-Q846 WeakPolarHBondContact OE1-CG 3.33Å; E702-Q846 PolarHBondContact OE1-NE2 3.44Å; S844-Q846 PolarHBondContact O-N 3.26Å; Q846-R849 PolarHBondContact O-N 3.33Å; Q846-R850 WeakPolarHBondContact O-CG 3.47Å; Q846-R850 PolarHBondContact O-N 2.95Å
847	G	97.3	Very high	95.3	Very high	29 Å²	29	48.6 Å²	48.6	30%	0.299	29%	0.287	S	S	.	.	H	α-helix	trans	-64.1	-43	175.4	0	0	0	0	0	112.7	S844 L845 R851	S844-G847 WeakPolarHBondContact O-CA 3.48Å; S844-G847 PolarHBondContact O-N 3.49Å; S844-G847 PolarHBondContact OG-N 3.43Å; S844-G847 VanDerWaalsContact OG-N 3.13Å; L845-G847 PolarHBondContact O-N 2.89Å; G847-R851 WeakPolarHBondContact O-CG 3.29Å; G847-R851 PolarHBondContact O-N 3.43Å
848	L	97.5	Very high	95.4	Very high	8 Å²	8	51.5 Å²	51.5	4%	0.042	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-47.5	171.4	-67	176.4	0	0	0	111.1	L698 F829 T832 L833 S844 L845 R850 R851 L852	L698-L848 HydrophobicContact CD1-CB 4Å; L698-L848 HydrophobicContact CD2-CB 4.41Å; L698-L848 HydrophobicContact CD2-CD1 4.49Å; F829-L848 HydrophobicContact CD2-CD1 4.23Å; F829-L848 HydrophobicContact CD2-CD2 4.38Å; F829-L848 HydrophobicContact CE2-CD1 4.49Å; T832-L848 HydrophobicContact CG2-CD1 4.1Å; T832-L848 HydrophobicContact CG2-CD2 4.15Å; T832-L848 HydrophobicContact CG2-CG 4.43Å; L833-L848 HydrophobicContact CD2-CD1 3.63Å; L833-L848 HydrophobicContact CG-CD1 4.02Å; S844-L848 PolarHBondContact O-N 2.87Å; S844-L848 VanDerWaalsContact O-N 3.07Å; L845-L848 PolarHBondContact O-N 3.25Å; L848-R850 PolarHBondContact O-N 3.26Å; L848-R851 PolarHBondContact O-N 3.48Å; L848-R851 VanDerWaalsContact O-N 3.13Å; L848-L852 PolarHBondContact O-N 2.98Å
849	R	97.4	Very high	95.5	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.015	29%	0.292	C	S	.	.	H	α-helix	trans	-56.3	-49.5	-178.9	-176.4	169.9	57.9	78.3	-7	111.9	I695 L698 H699 E702 A733 D734 L845 Q846 R851 L852 A853	I695-R849 HydrophobicContact CB-CG 4.49Å; I695-R849 HydrophobicContact CG2-CG 3.89Å; I695-R849 WeakPolarHBondContact O-CD 3.44Å; L698-R849 HydrophobicContact CB-CB 4.11Å; L698-R849 HydrophobicContact CB-CG 4.46Å; L698-R849 HydrophobicContact CD1-CB 4.08Å; H699-R849 PolarHBondContact ND1-NE 3Å; E702-R849 IonicContact OE1-NH2 3.08Å; E702-R849 PolarHBondContact OE1-NH2 3.14Å; E702-R849 VanDerWaalsContact OE1-NH2 3.08Å; E702-R849 IonicContact OE2-CZ 3.23Å; E702-R849 VanDerWaalsContact OE2-CZ 3.23Å; E702-R849 IonicContact OE2-NE 2.73Å; E702-R849 PolarHBondContact OE2-NE 3.39Å; E702-R849 IonicContact OE2-NH2 2.95Å; E702-R849 PolarHBondContact OE2-NH2 3.4Å; A733-R849 PolarHBondContact O-NH1 2.87Å; D734-R849 IonicContact OD1-CZ 3.45Å; D734-R849 IonicContact OD1-NH1 2.7Å; D734-R849 PolarHBondContact OD1-NH1 2.98Å; D734-R849 IonicContact OD1-NH2 3.27Å; D734-R849 PolarHBondContact OD1-NH2 2.99Å; L845-R849 VanDerWaalsContact O-CB 3.32Å; L845-R849 WeakPolarHBondContact O-CB 3.43Å; L845-R849 PolarHBondContact O-N 2.9Å; Q846-R849 PolarHBondContact O-N 3.33Å; R849-R851 VanDerWaalsContact C-N 3.32Å; R849-R851 PolarHBondContact O-N 2.92Å; R849-L852 PolarHBondContact O-N 3.46Å; R849-A853 VanDerWaalsContact O-CB 3.31Å; R849-A853 WeakPolarHBondContact O-CB 3.28Å; R849-A853 PolarHBondContact O-N 3.39Å
850	R	97.1	Very high	95.5	Very high	130 Å²	130	52.5 Å²	52.5	49%	0.491	29%	0.292	S	S	.	.	H	α-helix	trans	-60.8	-38	177.4	-74.4	-175.4	179.1	126.4	10.3	112.8	Q846 L848 A853 A854	Q846-R850 WeakPolarHBondContact O-CG 3.47Å; Q846-R850 PolarHBondContact O-N 2.95Å; L848-R850 PolarHBondContact O-N 3.26Å; R850-A853 PolarHBondContact O-N 2.94Å; R850-A854 WeakPolarHBondContact O-CB 3.32Å; R850-A854 PolarHBondContact O-N 3.5Å
851	R	97.4	Very high	95.4	Very high	105 Å²	105	52.7 Å²	52.7	40%	0.396	28%	0.282	S	S	.	.	H	α-helix	trans	-68.8	-43.2	178	-73.1	171.6	60.5	-137.6	-1	112.6	L825 D828 G847 L848 R849 A853 V855	L825-R851 HydrophobicContact CD1-CB 4.36Å; D828-R851 IonicContact OD2-CZ 3.13Å; D828-R851 IonicContact OD2-NH1 2.67Å; D828-R851 PolarHBondContact OD2-NH1 2.99Å; D828-R851 IonicContact OD2-NH2 2.7Å; D828-R851 PolarHBondContact OD2-NH2 3.4Å; G847-R851 WeakPolarHBondContact O-CG 3.29Å; G847-R851 PolarHBondContact O-N 3.43Å; L848-R851 PolarHBondContact O-N 3.48Å; L848-R851 VanDerWaalsContact O-N 3.13Å; R849-R851 VanDerWaalsContact C-N 3.32Å; R849-R851 PolarHBondContact O-N 2.92Å; R851-A853 VanDerWaalsContact C-N 3.34Å; R851-V855 WeakPolarHBondContact O-CG2 3.36Å; R851-V855 PolarHBondContact O-N 3.26Å
852	L	97.6	Very high	95.1	Very high	3 Å²	3	55 Å²	55	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-63.6	-41.2	173.2	-61	-170.4	0	0	0	111.3	L691 A694 I695 L698 L825 W826 F829 L848 R849 V855 L856	L691-L852 HydrophobicContact CD2-CB 4.1Å; L691-L852 HydrophobicContact CD2-CD2 3.95Å; L691-L852 HydrophobicContact CD2-CG 4.48Å; A694-L852 HydrophobicContact CB-CD1 3.65Å; I695-L852 HydrophobicContact CD1-CB 4.05Å; I695-L852 HydrophobicContact CG1-CB 3.62Å; L698-L852 HydrophobicContact CD1-CD1 3.82Å; L825-L852 HydrophobicContact CD1-CD2 4.14Å; L825-L852 HydrophobicContact CD2-CD2 3.69Å; L825-L852 HydrophobicContact CG-CD2 3.84Å; W826-L852 HydrophobicContact CZ3-CD1 4.43Å; W826-L852 HydrophobicContact CZ3-CD2 4.26Å; F829-L852 HydrophobicContact CD2-CD1 4.29Å; F829-L852 HydrophobicContact CE2-CD1 4.18Å; L848-L852 PolarHBondContact O-N 2.98Å; R849-L852 PolarHBondContact O-N 3.46Å; L852-V855 PolarHBondContact O-N 2.87Å; L852-L856 WeakPolarHBondContact O-CB 3.27Å; L852-L856 PolarHBondContact O-N 3.19Å
853	A	96.6	Very high	94.8	Very high	4 Å²	4	58 Å²	58	3%	0.033	31%	0.307	C	S	.	.	H	α-helix	trans	-64.6	-44.1	179.6	0	0	0	0	0	113.2	I695 F731 A733 R849 R850 R851 V855 L856 Q857	I695-A853 HydrophobicContact CD1-CB 3.97Å; I695-A853 HydrophobicContact CG1-CB 4.39Å; F731-A853 HydrophobicContact CE1-CB 4.44Å; F731-A853 HydrophobicContact CZ-CB 4Å; A733-A853 HydrophobicContact CB-CB 3.68Å; R849-A853 VanDerWaalsContact O-CB 3.31Å; R849-A853 WeakPolarHBondContact O-CB 3.28Å; R849-A853 PolarHBondContact O-N 3.39Å; R850-A853 PolarHBondContact O-N 2.94Å; R851-A853 VanDerWaalsContact C-N 3.34Å; A853-V855 VanDerWaalsContact C-N 3.31Å; A853-V855 PolarHBondContact O-N 3.23Å; A853-L856 PolarHBondContact O-N 3.01Å; A853-Q857 WeakPolarHBondContact O-CB 3.39Å; A853-Q857 PolarHBondContact O-N 2.87Å
854	A	96.3	Very high	94.6	Very high	51 Å²	51	57 Å²	57	42%	0.421	30%	0.299	S	S	.	.	H	α-helix	trans	-57.2	-45.4	175.7	0	0	0	0	0	111.6	R850 Q857 Q858	R850-A854 WeakPolarHBondContact O-CB 3.32Å; R850-A854 PolarHBondContact O-N 3.5Å; A854-Q857 PolarHBondContact O-N 3.38Å; A854-Q858 WeakPolarHBondContact O-CB 3.35Å; A854-Q858 PolarHBondContact O-N 2.96Å
855	V	96.6	Very high	94.2	Very high	24 Å²	24	55.3 Å²	55.3	15%	0.145	29%	0.29	C	S	.	.	H	α-helix	trans	-66.1	-40.8	178	170.1	0	0	0	0	111.8	L691 L825 R851 L852 A853 H859	L691-V855 HydrophobicContact CD1-CG1 4.14Å; L825-V855 HydrophobicContact CD2-CB 4.1Å; L825-V855 HydrophobicContact CD2-CG1 4.01Å; L825-V855 HydrophobicContact CD2-CG2 3.92Å; R851-V855 WeakPolarHBondContact O-CG2 3.36Å; R851-V855 PolarHBondContact O-N 3.26Å; L852-V855 PolarHBondContact O-N 2.87Å; A853-V855 VanDerWaalsContact C-N 3.31Å; A853-V855 PolarHBondContact O-N 3.23Å; V855-H859 WeakPolarHBondContact O-CB 3.33Å; V855-H859 PolarHBondContact O-CD2 3.23Å; V855-H859 PolarHBondContact O-N 2.7Å
856	L	95.6	Very high	93.9	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.7	-46.1	175.5	-176.3	59.3	0	0	0	111.9	P688 L691 H692 I695 F731 L852 A853 Y860 S861 L864	P688-L856 HydrophobicContact CB-CD1 4.19Å; P688-L856 WeakPolarHBondContact O-CD1 3.49Å; L691-L856 HydrophobicContact CB-CB 4.27Å; L691-L856 HydrophobicContact CB-CD1 3.88Å; L691-L856 HydrophobicContact CB-CD2 4.32Å; L691-L856 HydrophobicContact CB-CG 4.4Å; L691-L856 HydrophobicContact CD1-CB 4.35Å; L691-L856 HydrophobicContact CD1-CD1 4.23Å; H692-L856 HydrophobicContact CB-CD2 4.01Å; I695-L856 HydrophobicContact CD1-CB 4.17Å; I695-L856 HydrophobicContact CD1-CD2 3.5Å; I695-L856 HydrophobicContact CD1-CG 4.5Å; F731-L856 HydrophobicContact CD1-CD2 4.25Å; F731-L856 HydrophobicContact CD2-CD2 3.9Å; F731-L856 HydrophobicContact CE1-CD2 4.05Å; F731-L856 HydrophobicContact CE1-CG 4.46Å; F731-L856 HydrophobicContact CE2-CD2 3.69Å; F731-L856 HydrophobicContact CG-CD2 4.18Å; F731-L856 HydrophobicContact CZ-CD2 3.78Å; L852-L856 WeakPolarHBondContact O-CB 3.27Å; L852-L856 PolarHBondContact O-N 3.19Å; A853-L856 PolarHBondContact O-N 3.01Å; L856-Y860 HydrophobicContact CD1-CD2 4.27Å; L856-Y860 CarbonylContact O-C 3.48Å; L856-Y860 WeakPolarHBondContact O-CA 3.3Å; L856-Y860 WeakPolarHBondContact O-CB 3.2Å; L856-Y860 PolarHBondContact O-N 2.75Å; L856-S861 PolarHBondContact O-N 2.84Å; L856-S861 VanDerWaalsContact O-N 3.17Å; L856-L864 HydrophobicContact CD1-CD2 4.06Å; L856-L864 HydrophobicContact CD2-CD2 3.9Å; L856-L864 HydrophobicContact CG-CD2 4.09Å
857	Q	94	Very high	93.7	Very high	125 Å²	125	58.5 Å²	58.5	58%	0.584	31%	0.313	S	S	*	.	H	α-helix	trans	-66.9	-44.7	179.5	-169	176.4	14.5	0	0	111.8	A853 A854 S861	A853-Q857 WeakPolarHBondContact O-CB 3.39Å; A853-Q857 PolarHBondContact O-N 2.87Å; A854-Q857 PolarHBondContact O-N 3.38Å; Q857-S861 VanDerWaalsContact O-CB 3.25Å; Q857-S861 WeakPolarHBondContact O-CB 3.45Å; Q857-S861 PolarHBondContact O-OG 3.12Å
858	Q	94.3	Very high	93.4	Very high	145 Å²	145	57.3 Å²	57.3	68%	0.678	30%	0.3	S	S	*	.	H	α-helix	trans	-67.1	-41.4	-178.2	-177.2	177.3	6.3	0	0	113.3	A854	A854-Q858 WeakPolarHBondContact O-CB 3.35Å; A854-Q858 PolarHBondContact O-N 2.96Å
859	H	93.6	Very high	93.1	Very high	89 Å²	89	59.4 Å²	59.4	41%	0.412	32%	0.315	S	S	.	.	H	α-helix	trans	-105.1	-20.9	-170.6	-66.9	-77.5	0	0	0	115	H822 V855	H822-H859 AromaticContact CE1-CD2 3.54Å; H822-H859 AromaticContact CE1-CG 3.85Å; H822-H859 AromaticContact CE1-NE2 3.88Å; V855-H859 WeakPolarHBondContact O-CB 3.33Å; V855-H859 PolarHBondContact O-CD2 3.23Å; V855-H859 PolarHBondContact O-N 2.7Å
860	Y	93.8	Very high	92.7	Very high	32 Å²	32	66 Å²	66	13%	0.125	34%	0.34	C	S	.	.	H	α-helix	trans	-140.5	0.7	-164	-55.2	-56	0	0	0	116.2	P688 L691 H822 L856 S862 K863 L864	P688-Y860 HydrophobicContact CB-CD2 4.24Å; P688-Y860 HydrophobicContact CB-CG 4.02Å; P688-Y860 HydrophobicContact CG-CD1 3.67Å; P688-Y860 HydrophobicContact CG-CD2 3.96Å; P688-Y860 HydrophobicContact CG-CE1 4.1Å; P688-Y860 HydrophobicContact CG-CE2 4.34Å; P688-Y860 HydrophobicContact CG-CG 3.59Å; L691-Y860 HydrophobicContact CD1-CD2 3.79Å; L691-Y860 HydrophobicContact CD1-CE2 3.68Å; H822-Y860 AromaticContact CD2-CE2 3.95Å; H822-Y860 AromaticContact NE2-CE2 3.42Å; H822-Y860 WeakPolarHBondContact NE2-CE2 3.5Å; H822-Y860 AromaticContact NE2-CZ 3.58Å; H822-Y860 PolarHBondContact NE2-OH 3.37Å; L856-Y860 HydrophobicContact CD1-CD2 4.27Å; L856-Y860 CarbonylContact O-C 3.48Å; L856-Y860 WeakPolarHBondContact O-CA 3.3Å; L856-Y860 WeakPolarHBondContact O-CB 3.2Å; L856-Y860 PolarHBondContact O-N 2.75Å; Y860-S862 VanDerWaalsContact C-N 3.3Å; Y860-S862 PolarHBondContact O-N 2.79Å; Y860-K863 HydrophobicContact CD1-CD 4.49Å; Y860-K863 WeakPolarHBondContact O-CA 3.44Å; Y860-K863 PolarHBondContact O-N 3.12Å; Y860-L864 PolarHBondContact O-N 3.47Å
861	S	85.5	Confident	92.5	Very high	74 Å²	74	59.8 Å²	59.8	52%	0.517	32%	0.317	S	S	.	.	H	α-helix	trans	-44.6	-49.2	178.6	42.4	0	0	0	0	113.7	L856 Q857 K863	L856-S861 PolarHBondContact O-N 2.84Å; L856-S861 VanDerWaalsContact O-N 3.17Å; Q857-S861 VanDerWaalsContact O-CB 3.25Å; Q857-S861 WeakPolarHBondContact O-CB 3.45Å; Q857-S861 PolarHBondContact O-OG 3.12Å; S861-K863 VanDerWaalsContact C-N 3.31Å; S861-K863 PolarHBondContact O-N 3.47Å
862	S	85.8	Confident	92.1	Very high	97 Å²	97	55.9 Å²	55.9	68%	0.678	30%	0.304	S	S	*	.	H	α-helix	trans	-71	-16.9	178.3	58.5	0	0	0	0	115.5	Y860	Y860-S862 VanDerWaalsContact C-N 3.3Å; Y860-S862 PolarHBondContact O-N 2.79Å
863	K	88.4	Confident	91.8	Very high	118 Å²	118	59.2 Å²	59.2	51%	0.513	32%	0.324	S	S	.	.	H	α-helix	trans	-100.6	-26	-177.3	-65.6	173	-177.1	166.9	0	112.7	Y860 S861 T866 L867	Y860-K863 HydrophobicContact CD1-CD 4.49Å; Y860-K863 WeakPolarHBondContact O-CA 3.44Å; Y860-K863 PolarHBondContact O-N 3.12Å; S861-K863 VanDerWaalsContact C-N 3.31Å; S861-K863 PolarHBondContact O-N 3.47Å; K863-T866 PolarHBondContact O-N 2.67Å; K863-L867 WeakPolarHBondContact O-CG 3.48Å; K863-L867 PolarHBondContact O-N 3.3Å; K863-L867 VanDerWaalsContact O-N 3.09Å
864	L	90.4	Very high	91.4	Very high	4 Å²	4	60 Å²	60	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-63.9	-43.8	-173.3	179.9	59.6	0	0	0	112.5	P688 L689 H692 F731 L856 Y860 T866 L867 K868	P688-L864 HydrophobicContact CB-CD1 4.27Å; L689-L864 HydrophobicContact CD2-CD1 4.1Å; H692-L864 HydrophobicContact CB-CD1 3.97Å; H692-L864 HydrophobicContact CB-CD2 4.42Å; F731-L864 HydrophobicContact CB-CD2 3.54Å; F731-L864 HydrophobicContact CD2-CD2 4.24Å; F731-L864 HydrophobicContact CG-CD2 3.9Å; L856-L864 HydrophobicContact CD1-CD2 4.06Å; L856-L864 HydrophobicContact CD2-CD2 3.9Å; L856-L864 HydrophobicContact CG-CD2 4.09Å; Y860-L864 PolarHBondContact O-N 3.47Å; L864-T866 VanDerWaalsContact C-N 3.34Å; L864-T866 PolarHBondContact O-N 2.89Å; L864-L867 PolarHBondContact O-N 2.93Å; L864-K868 HydrophobicContact CD1-CD 4.34Å; L864-K868 HydrophobicContact CD1-CG 4.08Å; L864-K868 HydrophobicContact CG-CD 4.27Å; L864-K868 HydrophobicContact CG-CG 4.39Å; L864-K868 WeakPolarHBondContact O-CG 3.49Å; L864-K868 PolarHBondContact O-N 3Å
865	A	89.4	Confident	91	Very high	41 Å²	41	57.9 Å²	57.9	34%	0.339	31%	0.309	S	S	.	.	H	α-helix	trans	-59.4	-42.2	179	0	0	0	0	0	112.5	S869	A865-S869 WeakPolarHBondContact O-CB 3.48Å; A865-S869 PolarHBondContact O-N 3.3Å; A865-S869 PolarHBondContact O-OG 3.18Å
866	T	91.3	Very high	90.6	Very high	101 Å²	101	59.5 Å²	59.5	62%	0.62	32%	0.317	S	S	*	.	H	α-helix	trans	-66.9	-39.9	175.9	-44.6	0	0	0	0	111.9	K863 L864 S869 R870	K863-T866 PolarHBondContact O-N 2.67Å; L864-T866 VanDerWaalsContact C-N 3.34Å; L864-T866 PolarHBondContact O-N 2.89Å; T866-S869 PolarHBondContact O-N 3.13Å; T866-R870 PolarHBondContact O-N 3.05Å
867	L	91.8	Very high	90.1	Very high	44 Å²	44	64.9 Å²	64.9	23%	0.23	34%	0.342	C	S	.	.	H	α-helix	trans	-69.6	-40.8	178	-71.8	171.2	0	0	0	112.5	P686 P688 L689 K863 L864 R870 L871	P686-L867 HydrophobicContact CB-CD1 4.23Å; P686-L867 HydrophobicContact CB-CD2 4.35Å; P686-L867 HydrophobicContact CG-CD2 4.3Å; P688-L867 HydrophobicContact CB-CD1 3.82Å; P688-L867 HydrophobicContact CG-CD1 3.64Å; L689-L867 HydrophobicContact CD1-CB 4.1Å; L689-L867 HydrophobicContact CD2-CB 4.22Å; L689-L867 HydrophobicContact CG-CB 4.02Å; K863-L867 WeakPolarHBondContact O-CG 3.48Å; K863-L867 PolarHBondContact O-N 3.3Å; K863-L867 VanDerWaalsContact O-N 3.09Å; L864-L867 PolarHBondContact O-N 2.93Å; L867-R870 PolarHBondContact O-N 3.21Å; L867-L871 PolarHBondContact O-N 3.09Å
868	K	90.8	Very high	89.5	Confident	4 Å²	4	60.7 Å²	60.7	2%	0.017	32%	0.324	C	S	.	.	H	α-helix	trans	-59.8	-48.8	170.9	-73.9	-176.4	69.8	165.2	0	110.4	L689 H692 N728 S730 L864 R870 L871 V872	L689-K868 HydrophobicContact CD2-CG 3.85Å; H692-K868 WeakPolarHBondContact NE2-CE 3.4Å; H692-K868 PolarHBondContact NE2-NZ 3.16Å; N728-K868 WeakPolarHBondContact O-CE 3.32Å; N728-K868 PolarHBondContact O-NZ 2.79Å; S730-K868 PolarHBondContact O-NZ 3.13Å; L864-K868 HydrophobicContact CD1-CD 4.34Å; L864-K868 HydrophobicContact CD1-CG 4.08Å; L864-K868 HydrophobicContact CG-CD 4.27Å; L864-K868 HydrophobicContact CG-CG 4.39Å; L864-K868 WeakPolarHBondContact O-CG 3.49Å; L864-K868 PolarHBondContact O-N 3Å; K868-R870 VanDerWaalsContact C-N 3.33Å; K868-R870 PolarHBondContact O-N 2.89Å; K868-L871 PolarHBondContact O-N 3.35Å; K868-L871 VanDerWaalsContact O-N 3.11Å; K868-V872 WeakPolarHBondContact O-CG2 3.43Å; K868-V872 PolarHBondContact O-N 3.29Å
869	S	90.5	Very high	88.7	Confident	52 Å²	52	55.7 Å²	55.7	36%	0.364	30%	0.3	S	S	.	.	H	α-helix	trans	-58	-41.8	178.4	-57.1	0	0	0	0	112.5	A865 T866 V872 V873	A865-S869 WeakPolarHBondContact O-CB 3.48Å; A865-S869 PolarHBondContact O-N 3.3Å; A865-S869 PolarHBondContact O-OG 3.18Å; T866-S869 PolarHBondContact O-N 3.13Å; S869-V872 PolarHBondContact O-N 2.93Å; S869-V873 WeakPolarHBondContact O-CG2 3.28Å; S869-V873 PolarHBondContact O-N 3.05Å; S869-V873 VanDerWaalsContact O-N 3.12Å
870	R	90.9	Very high	87.8	Confident	143 Å²	143	60.6 Å²	60.6	54%	0.54	32%	0.315	S	S	.	.	H	α-helix	trans	-64.4	-43.9	174.2	176.8	175.1	170.2	156.1	-2.3	112.3	T866 L867 K868 V872 V873 Q874	T866-R870 PolarHBondContact O-N 3.05Å; L867-R870 PolarHBondContact O-N 3.21Å; K868-R870 VanDerWaalsContact C-N 3.33Å; K868-R870 PolarHBondContact O-N 2.89Å; R870-V872 VanDerWaalsContact C-N 3.34Å; R870-V873 PolarHBondContact O-N 2.95Å; R870-Q874 WeakPolarHBondContact O-CG 3.14Å; R870-Q874 PolarHBondContact O-N 3.2Å; R870-Q874 VanDerWaalsContact O-N 3.14Å
871	L	91	Very high	86.6	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-64.1	-41.2	178	178.5	55.6	0	0	0	111.2	A673 F677 L689 F693 F725 L867 K868 V873 Q874 L875	A673-L871 HydrophobicContact CB-CD1 4.3Å; F677-L871 HydrophobicContact CE2-CD1 3.89Å; F677-L871 HydrophobicContact CE2-CD2 4.34Å; F677-L871 HydrophobicContact CZ-CD1 4.18Å; L689-L871 HydrophobicContact CD1-CB 4.4Å; L689-L871 HydrophobicContact CD1-CD2 4.18Å; F693-L871 HydrophobicContact CE2-CD2 3.87Å; F693-L871 HydrophobicContact CZ-CD2 3.81Å; F725-L871 HydrophobicContact CE1-CD2 4.38Å; F725-L871 HydrophobicContact CE1-CG 4.49Å; F725-L871 HydrophobicContact CZ-CD2 4.11Å; L867-L871 PolarHBondContact O-N 3.09Å; K868-L871 PolarHBondContact O-N 3.35Å; K868-L871 VanDerWaalsContact O-N 3.11Å; L871-V873 PolarHBondContact O-N 2.91Å; L871-Q874 PolarHBondContact O-N 3.4Å; L871-L875 HydrophobicContact CD1-CD1 4.1Å; L871-L875 HydrophobicContact CD1-CD2 4.47Å; L871-L875 HydrophobicContact CD1-CG 4.03Å; L871-L875 HydrophobicContact CG-CD1 3.86Å; L871-L875 HydrophobicContact CG-CG 4.31Å; L871-L875 VanDerWaalsContact O-CG 3.24Å; L871-L875 WeakPolarHBondContact O-CG 3.49Å; L871-L875 PolarHBondContact O-N 2.98Å
872	V	90.1	Very high	85.5	Confident	22 Å²	22	66.4 Å²	66.4	13%	0.133	34%	0.343	C	S	.	.	H	α-helix	trans	-54.5	-47.7	173.1	162	0	0	0	0	111.8	F725 L726 K868 S869 R870 Q874 L875 L876	F725-V872 HydrophobicContact CD1-CG2 4.15Å; F725-V872 HydrophobicContact CE1-CG2 3.95Å; L726-V872 HydrophobicContact CB-CG1 4.46Å; L726-V872 HydrophobicContact CD2-CB 4.37Å; L726-V872 HydrophobicContact CD2-CG1 4.02Å; L726-V872 HydrophobicContact CD2-CG2 3.81Å; K868-V872 WeakPolarHBondContact O-CG2 3.43Å; K868-V872 PolarHBondContact O-N 3.29Å; S869-V872 PolarHBondContact O-N 2.93Å; R870-V872 VanDerWaalsContact C-N 3.34Å; V872-Q874 PolarHBondContact O-N 2.92Å; V872-L875 PolarHBondContact O-N 3.32Å; V872-L876 HydrophobicContact CG1-CD1 3.91Å; V872-L876 VanDerWaalsContact O-CG 3.28Å; V872-L876 WeakPolarHBondContact O-CG 3.41Å; V872-L876 PolarHBondContact O-N 2.9Å
873	V	90.3	Very high	84.1	Confident	73 Å²	73	72 Å²	72	44%	0.442	35%	0.349	S	S	.	.	H	α-helix	trans	-58.7	-47.7	176	171	0	0	0	0	111.2	S869 R870 L871 L875 L876 E877	S869-V873 WeakPolarHBondContact O-CG2 3.28Å; S869-V873 PolarHBondContact O-N 3.05Å; S869-V873 VanDerWaalsContact O-N 3.12Å; R870-V873 PolarHBondContact O-N 2.95Å; L871-V873 PolarHBondContact O-N 2.91Å; V873-L875 VanDerWaalsContact C-N 3.34Å; V873-L875 PolarHBondContact O-N 3.34Å; V873-L876 PolarHBondContact O-N 3.32Å; V873-L876 VanDerWaalsContact O-N 3.14Å; V873-E877 HydrophobicContact CG1-CG 4.29Å; V873-E877 WeakPolarHBondContact CG1-OE1 3.42Å; V873-E877 WeakPolarHBondContact O-CG 3.27Å; V873-E877 PolarHBondContact O-N 2.91Å
874	Q	89	Confident	83.8	Confident	22 Å²	22	69.7 Å²	69.7	10%	0.103	34%	0.341	C	S	.	.	H	α-helix	trans	-66.9	-32.5	-177.7	-67.2	-179.7	-16.7	0	0	113.5	L676 Q680 R870 L871 V872 N878	L676-Q874 HydrophobicContact CD1-CB 4.44Å; Q680-Q874 VanDerWaalsContact NE2-CD 3.27Å; R870-Q874 WeakPolarHBondContact O-CG 3.14Å; R870-Q874 PolarHBondContact O-N 3.2Å; R870-Q874 VanDerWaalsContact O-N 3.14Å; L871-Q874 PolarHBondContact O-N 3.4Å; V872-Q874 PolarHBondContact O-N 2.92Å; Q874-N878 VanDerWaalsContact O-CB 3.31Å; Q874-N878 WeakPolarHBondContact O-CB 3.41Å; Q874-N878 PolarHBondContact O-N 2.82Å
875	L	87.5	Confident	83.5	Confident	5 Å²	5	73.2 Å²	73.2	3%	0.026	36%	0.358	C	S	.	.	H	α-helix	trans	-68.6	-40.8	172.2	-67.5	163.7	0	0	0	111.3	A673 L676 L721 F725 L871 V872 V873 H879	A673-L875 HydrophobicContact CB-CD2 4.44Å; L676-L875 HydrophobicContact CD1-CD2 3.84Å; L676-L875 HydrophobicContact CD1-CG 4.38Å; L721-L875 HydrophobicContact CD1-CD1 3.82Å; L721-L875 HydrophobicContact CD1-CD2 4Å; F725-L875 HydrophobicContact CD1-CD1 4.45Å; F725-L875 HydrophobicContact CE1-CD1 4.09Å; L871-L875 HydrophobicContact CD1-CD1 4.1Å; L871-L875 HydrophobicContact CD1-CD2 4.47Å; L871-L875 HydrophobicContact CD1-CG 4.03Å; L871-L875 HydrophobicContact CG-CD1 3.86Å; L871-L875 HydrophobicContact CG-CG 4.31Å; L871-L875 VanDerWaalsContact O-CG 3.24Å; L871-L875 WeakPolarHBondContact O-CG 3.49Å; L871-L875 PolarHBondContact O-N 2.98Å; V872-L875 PolarHBondContact O-N 3.32Å; V873-L875 VanDerWaalsContact C-N 3.34Å; V873-L875 PolarHBondContact O-N 3.34Å; L875-H879 VanDerWaalsContact O-CB 3.32Å; L875-H879 WeakPolarHBondContact O-CB 3.48Å; L875-H879 PolarHBondContact O-N 2.98Å
876	L	87.6	Confident	83.2	Confident	59 Å²	59	74.9 Å²	74.9	31%	0.309	36%	0.359	S	S	.	.	H	α-helix	trans	-68.9	-37	177	-69.5	169.1	0	0	0	112.5	Y667 L726 V872 V873 R880	Y667-L876 HydrophobicContact CD1-CD2 4.08Å; Y667-L876 HydrophobicContact CE1-CD2 3.66Å; L726-L876 HydrophobicContact CD1-CD2 4.18Å; V872-L876 HydrophobicContact CG1-CD1 3.91Å; V872-L876 VanDerWaalsContact O-CG 3.28Å; V872-L876 WeakPolarHBondContact O-CG 3.41Å; V872-L876 PolarHBondContact O-N 2.9Å; V873-L876 PolarHBondContact O-N 3.32Å; V873-L876 VanDerWaalsContact O-N 3.14Å; L876-R880 VanDerWaalsContact O-CG 3.31Å; L876-R880 WeakPolarHBondContact O-CG 3.4Å; L876-R880 PolarHBondContact O-N 3.06Å
877	E	86.9	Confident	82.7	Confident	112 Å²	112	73.4 Å²	73.4	52%	0.523	34%	0.344	S	S	.	.	H	α-helix	trans	-63.6	-50.2	173	-72.6	167.7	162.5	0	0	111.3	V873 H879 R880 A881	V873-E877 HydrophobicContact CG1-CG 4.29Å; V873-E877 WeakPolarHBondContact CG1-OE1 3.42Å; V873-E877 WeakPolarHBondContact O-CG 3.27Å; V873-E877 PolarHBondContact O-N 2.91Å; E877-H879 VanDerWaalsContact C-N 3.35Å; E877-H879 PolarHBondContact O-N 3.08Å; E877-R880 PolarHBondContact O-N 3.19Å; E877-A881 PolarHBondContact O-N 2.87Å
878	N	80.7	Confident	82.1	Confident	38 Å²	38	75.3 Å²	75.3	20%	0.203	35%	0.351	C	S	.	.	H	α-helix	trans	-61.4	-40.4	176.1	-171.4	4.6	0	0	0	111.9	L676 Q874 R880 A881 R882	L676-N878 HydrophobicContact CD1-CB 4.37Å; L676-N878 HydrophobicContact CD2-CB 4.17Å; Q874-N878 VanDerWaalsContact O-CB 3.31Å; Q874-N878 WeakPolarHBondContact O-CB 3.41Å; Q874-N878 PolarHBondContact O-N 2.82Å; N878-R880 VanDerWaalsContact C-N 3.32Å; N878-R880 PolarHBondContact O-N 3.43Å; N878-A881 PolarHBondContact O-N 3.33Å; N878-R882 VanDerWaalsContact O-CG 3.32Å; N878-R882 WeakPolarHBondContact O-CG 3.31Å; N878-R882 PolarHBondContact O-N 2.91Å; N878-R882 VanDerWaalsContact O-N 3.15Å; N878-R882 PolarHBondContact OD1-NE 3.39Å
879	H	77.3	Confident	81.5	Confident	39 Å²	39	80 Å²	80	18%	0.181	37%	0.373	C	S	.	.	H	α-helix	trans	-66.3	-31.2	175.9	-169.2	44.1	0	0	0	113.3	N666 L875 E877 R883	N666-H879 PolarHBondContact O-CD2 2.91Å; N666-H879 PolarHBondContact O-CE1 3.34Å; N666-H879 PolarHBondContact O-ND1 2.93Å; N666-H879 PolarHBondContact O-NE2 2.89Å; N666-H879 VanDerWaalsContact O-NE2 3.16Å; N666-H879 PolarHBondContact OD1-NE2 3.11Å; L875-H879 VanDerWaalsContact O-CB 3.32Å; L875-H879 WeakPolarHBondContact O-CB 3.48Å; L875-H879 PolarHBondContact O-N 2.98Å; E877-H879 VanDerWaalsContact C-N 3.35Å; E877-H879 PolarHBondContact O-N 3.08Å; H879-R883 PolarHBondContact NE2-NH2 2.92Å; H879-R883 WeakPolarHBondContact O-CG 3.49Å
880	R	75.4	Confident	80.9	Confident	193 Å²	193	82 Å²	82	73%	0.728	37%	0.374	S	S	*	.	H	α-helix	trans	-70.9	-38.1	171.6	-74.1	171.7	-179.4	-171.4	0.6	111.9	L876 E877 N878 R882 R883	L876-R880 VanDerWaalsContact O-CG 3.31Å; L876-R880 WeakPolarHBondContact O-CG 3.4Å; L876-R880 PolarHBondContact O-N 3.06Å; E877-R880 PolarHBondContact O-N 3.19Å; N878-R880 VanDerWaalsContact C-N 3.32Å; N878-R880 PolarHBondContact O-N 3.43Å; R880-R882 PolarHBondContact O-N 2.82Å; R880-R883 PolarHBondContact O-N 2.93Å
881	A	68.1	Low	80.1	Confident	84 Å²	84	77.3 Å²	77.3	69%	0.694	36%	0.361	S	S	*	.	H	α-helix	trans	-73.1	-10.4	178	0	0	0	0	0	114.4	E877 N878	E877-A881 PolarHBondContact O-N 2.87Å; N878-A881 PolarHBondContact O-N 3.33Å
882	R	63.1	Low	79.2	Confident	144 Å²	144	83.8 Å²	83.8	54%	0.543	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	7.4	176.5	-70.7	175	-179.9	-160.3	-5.4	113.9	N672 N878 R880	N672-R882 PolarHBondContact OD1-NH1 3.11Å; N672-R882 PolarHBondContact OD1-NH2 3.4Å; N878-R882 VanDerWaalsContact O-CG 3.32Å; N878-R882 WeakPolarHBondContact O-CG 3.31Å; N878-R882 PolarHBondContact O-N 2.91Å; N878-R882 VanDerWaalsContact O-N 3.15Å; N878-R882 PolarHBondContact OD1-NE 3.39Å; R880-R882 PolarHBondContact O-N 2.82Å
883	R	54.8	Low	78.2	Confident	214 Å²	214	89.4 Å²	89.4	81%	0.808	42%	0.415	S	S	*	.			trans	-115.7	0	-178.7	-73.3	179.1	-178.9	-148.8	5	111.6	H879 R880	H879-R883 PolarHBondContact NE2-NH2 2.92Å; H879-R883 WeakPolarHBondContact O-CG 3.49Å; R880-R883 PolarHBondContact O-N 2.93Å

Retrieved 883 of 883 residues in 169.3 ms (Link to these results)

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