A0A096NLB5_PAPAN Loading...

Zinc finger protein 263

Transcription factor that binds to the consensus sequence 5'-TCCTCCC-3' and acts as a transcriptional repressor. Binds to the promoter region of SIX3 and recruits other proteins involved in chromatin modification and transcriptional corepression, resulting in methylation of the promoter and transcriptional repression. Acts as a transcriptional repressor of HS3ST1 and HS3ST3A1 via binding to gene promoter regions.

AlphaFold DB , UniProt , Accession A0A096NLB5, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF263, Length 684 aa.

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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	45.9	Very low	43.1	Very low	250 Å²	250	159 Å²	159	100%	1.232	89%	0.889	S	S	*	*				0	139.8	0	-63.2	175.1	-179.2	0	0	107
2	A	39.3	Very low	43.3	Very low	100 Å²	100	152 Å²	152	83%	0.826	88%	0.88	S	S	*	*			cis	-137.3	-178.4	8.2	0	0	0	0	0	112.7
3	S	39.7	Very low	43	Very low	124 Å²	124	152.9 Å²	152.9	87%	0.867	88%	0.878	S	S	*	*			trans	-57.4	158.6	-174.9	-39.9	0	0	0	0	115.9
4	G	41.1	Very low	42.6	Very low	70 Å²	70	155 Å²	155	72%	0.722	88%	0.883	S	S	*	*			trans	-98.1	-170.4	162	0	0	0	0	0	112.8
5	P	43.8	Very low	42.7	Very low	139 Å²	139	155.3 Å²	155.3	90%	0.903	88%	0.879	S	S	*	*			trans	-112.3	177.2	170	38	-27.6	0	0	0	114
6	S	33	Very low	42.8	Very low	105 Å²	105	153.8 Å²	153.8	73%	0.734	87%	0.874	S	S	*	*			trans	-111.1	167.7	-161.2	52.1	0	0	0	0	115.2
7	P	46.4	Very low	42.5	Very low	126 Å²	126	156.2 Å²	156.2	82%	0.818	87%	0.872	S	S	*	*			trans	-87.7	128.4	179.4	33.3	-32.8	0	0	0	113.2
8	Q	47.1	Very low	42.1	Very low	188 Å²	188	157.6 Å²	157.6	88%	0.879	88%	0.876	S	S	*	*			trans	-156.8	6.6	167.3	-128.8	167.6	7.6	0	0	117
9	E	45.5	Very low	41.8	Very low	194 Å²	194	158.8 Å²	158.8	91%	0.907	88%	0.875	S	S	*	*	S	Bend	trans	-124.4	32.1	-169	-61.2	-172.1	123.1	0	0	115
10	R	44.5	Very low	41.9	Very low	246 Å²	246	160.1 Å²	160.1	93%	0.928	87%	0.874	S	S	*	*			trans	-133.4	4	-179.7	-73.2	-165.4	176.1	-170.8	-1	117.6
11	E	47.7	Very low	41.5	Very low	207 Å²	207	160.2 Å²	160.2	97%	0.967	87%	0.874	S	S	*	*	S	Bend	trans	-93.1	99.3	164.3	-66.9	-171.9	146.5	0	0	108.8
12	G	45.5	Very low	40.8	Very low	75 Å²	75	154.8 Å²	154.8	77%	0.773	86%	0.859	S	S	*	*	S	Bend	trans	165	-1.2	179.8	0	0	0	0	0	119.6
13	L	39.5	Very low	40.7	Very low	164 Å²	164	154.5 Å²	154.5	86%	0.859	86%	0.857	S	S	*	*	S	Bend	trans	-151.3	39.1	-180	-147.5	75.3	0	0	0	116.5
14	L	37.7	Very low	40.4	Very low	182 Å²	182	161.1 Å²	161.1	95%	0.953	86%	0.863	S	S	*	*			trans	-131.9	52.1	168.4	-75.3	177.4	0	0	0	112.3
15	I	44.6	Very low	40.1	Very low	159 Å²	159	163.3 Å²	163.3	82%	0.815	87%	0.867	S	S	*	*			trans	-111.1	141.6	156.2	-57.2	177.7	0	0	0	106.1
16	V	43.1	Very low	39.8	Very low	131 Å²	131	165.7 Å²	165.7	79%	0.794	87%	0.866	S	S	*	*	S	Bend	trans	70.1	79.4	-174.4	-161.1	0	0	0	0	115
17	K	39.1	Very low	40	Very low	196 Å²	196	169.8 Å²	169.8	85%	0.852	87%	0.874	S	S	*	*			trans	168.4	82.7	132	-93.8	176.4	179.2	-171	0	112.6
18	L	34.4	Very low	39.6	Very low	180 Å²	180	171.3 Å²	171.3	94%	0.942	87%	0.874	S	S	*	*			trans	-147.4	68.8	156.2	-79.8	-176.3	0	0	0	108.4
19	E	35.9	Very low	39.1	Very low	181 Å²	181	167.9 Å²	167.9	85%	0.846	87%	0.868	S	S	*	*			trans	-120.5	162	160.5	-70	-178.1	121.2	0	0	107.1
20	E	43.9	Very low	38.7	Very low	185 Å²	185	166.1 Å²	166.1	86%	0.864	86%	0.864	S	S	*	*			trans	66.3	81	175.9	-53.3	-176	153.1	0	0	115.9
21	D	34.7	Very low	38.5	Very low	163 Å²	163	160 Å²	160	87%	0.872	86%	0.856	S	S	*	*				175	88.2	120.9	-95.2	-18.7	0	0	0	113.3
22	C	30.7	Very low	38.1	Very low	136 Å²	136	157.3 Å²	157.3	92%	0.919	85%	0.848	S	S	*	*			trans	-166.6	99.6	155.4	-106.4	0	0	0	0	111.7
23	A	36.8	Very low	38.2	Very low	94 Å²	94	158.9 Å²	158.9	78%	0.777	85%	0.845	S	S	*	*			trans	-149.5	62.3	176.9	0	0	0	0	0	112.2
24	W	32.8	Very low	39	Very low	262 Å²	262	153.4 Å²	153.4	99%	0.992	83%	0.828	S	S	*	*			trans	-123	115.5	165.6	-105.5	57.8	0	0	0	109.8
25	S	35.7	Very low	40.1	Very low	116 Å²	116	147.8 Å²	147.8	81%	0.811	80%	0.803	S	S	*	*			trans	-84.9	125.9	-167.3	-48.1	0	0	0	0	113
26	Q	36.3	Very low	41.5	Very low	190 Å²	190	142.3 Å²	142.3	89%	0.888	78%	0.778	S	S	*	*			trans	-130	116.8	140.9	-73.5	-167.3	-10.1	0	0	108	L28	Q26-L28 PolarHBondContact O-N 2.86Å
27	E	38.3	Very low	43	Very low	191 Å²	191	137.6 Å²	137.6	89%	0.893	75%	0.751	S	S	*	*			trans	-72.1	96.4	173	-66.6	-178.5	120.6	0	0	108.6
28	L	38.1	Very low	44.6	Very low	158 Å²	158	134.5 Å²	134.5	83%	0.827	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-61.6	129.2	155.4	-79.1	167.5	0	0	0	107.2	Q26 L30	Q26-L28 PolarHBondContact O-N 2.86Å; L28-L30 PolarHBondContact O-N 2.9Å
29	P	36.9	Very low	46.6	Very low	116 Å²	116	127.6 Å²	127.6	75%	0.753	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-53.6	138.2	174.5	-25.8	34.5	0	0	0	110.4
30	L	37.1	Very low	48.8	Very low	157 Å²	157	119.2 Å²	119.2	82%	0.822	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-50.9	138	165.3	-73.5	167	0	0	0	108.4	L28 D32	L28-L30 PolarHBondContact O-N 2.9Å; L30-D32 PolarHBondContact O-N 3.44Å
31	P	39.8	Very low	50.7	Low	118 Å²	118	112.1 Å²	112.1	77%	0.766	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-56.6	118.2	174.4	24.2	-32.7	0	0	0	108.2
32	D	38.7	Very low	52.8	Low	149 Å²	149	107.8 Å²	107.8	80%	0.797	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-49.4	120.2	-170.5	-170.5	21.2	0	0	0	109.5	L30 G34	L30-D32 PolarHBondContact O-N 3.44Å; D32-G34 PolarHBondContact O-N 3.36Å
33	P	47.5	Very low	55.2	Low	108 Å²	108	108.6 Å²	108.6	70%	0.701	60%	0.597	S	S	*	*			trans	-59.4	105.1	-170.7	20.8	-33.4	0	0	0	110.3
34	G	57.8	Low	57.5	Low	49 Å²	49	106.8 Å²	106.8	51%	0.505	57%	0.571	S	S	.	*			trans	-49.2	139.8	-174.6	0	0	0	0	0	111.4	D32 S36 R71	D32-G34 PolarHBondContact O-N 3.36Å; G34-S36 PolarHBondContact O-N 2.78Å; G34-R71 PolarHBondContact O-NH2 3.1Å
35	P	60.7	Low	59.7	Low	64 Å²	64	98.1 Å²	98.1	42%	0.416	54%	0.538	S	S	.	.			trans	-46.6	136.3	-155.7	14.1	-30.2	0	0	0	113.1	A39 S40 R71	P35-A39 HydrophobicContact CB-CB 4.24Å; P35-S40 PolarHBondContact O-OG 2.94Å; P35-R71 PolarHBondContact O-NH2 3.22Å
36	S	72.7	Confident	61.9	Low	44 Å²	44	101 Å²	101	31%	0.308	53%	0.531	S	S	.	.			trans	-40.5	143.2	177.2	171.7	0	0	0	0	110.9	G34 E38 A39 S40	G34-S36 PolarHBondContact O-N 2.78Å; S36-E38 PolarHBondContact O-N 3.12Å; S36-E38 VanDerWaalsContact O-N 3.12Å; S36-E38 PolarHBondContact OG-N 3.41Å; S36-E38 PolarHBondContact OG-OE2 2.71Å; S36-A39 WeakPolarHBondContact O-CA 3.44Å; S36-A39 WeakPolarHBondContact O-CB 3.4Å; S36-A39 PolarHBondContact O-N 3.27Å; S36-S40 PolarHBondContact O-N 3.02Å; S36-S40 PolarHBondContact O-OG 2.83Å
37	P	74.9	Confident	64.2	Low	33 Å²	33	93.8 Å²	93.8	21%	0.214	50%	0.497	C	S	.	.	H	α-helix	trans	-47.8	-40.3	173.2	-25.2	33.2	0	0	0	112.1	S40 H41	P37-S40 PolarHBondContact O-N 3.25Å; P37-H41 VanDerWaalsContact O-CB 3.25Å; P37-H41 WeakPolarHBondContact O-CB 3.47Å; P37-H41 PolarHBondContact O-N 3.3Å
38	E	73.5	Confident	66.4	Low	130 Å²	130	92.3 Å²	92.3	61%	0.607	48%	0.483	S	S	*	.	H	α-helix	trans	-66.6	-40.3	176.2	-48.6	115.2	-156.2	0	0	112.4	S36 S40 H41 L42	S36-E38 PolarHBondContact O-N 3.12Å; S36-E38 VanDerWaalsContact O-N 3.12Å; S36-E38 PolarHBondContact OG-N 3.41Å; S36-E38 PolarHBondContact OG-OE2 2.71Å; E38-S40 VanDerWaalsContact C-N 3.34Å; E38-H41 PolarHBondContact O-N 3.11Å; E38-L42 VanDerWaalsContact O-CB 3.23Å; E38-L42 WeakPolarHBondContact O-CB 3.49Å; E38-L42 PolarHBondContact O-N 3.39Å
39	A	76.6	Confident	68.5	Low	36 Å²	36	90.9 Å²	90.9	30%	0.298	47%	0.471	S	S	.	.	H	α-helix	trans	-68.3	-35.5	178.9	0	0	0	0	0	111.7	P35 S36 R43	P35-A39 HydrophobicContact CB-CB 4.24Å; S36-A39 WeakPolarHBondContact O-CA 3.44Å; S36-A39 WeakPolarHBondContact O-CB 3.4Å; S36-A39 PolarHBondContact O-N 3.27Å; A39-R43 WeakPolarHBondContact O-CB 3.45Å; A39-R43 VanDerWaalsContact O-CG 3.23Å; A39-R43 WeakPolarHBondContact O-CG 3.49Å; A39-R43 PolarHBondContact O-N 3.38Å; A39-R43 VanDerWaalsContact O-N 3.12Å
40	S	81.8	Confident	70.8	Confident	4 Å²	4	93.3 Å²	93.3	3%	0.028	47%	0.472	C	S	.	.	H	α-helix	trans	-68.7	-43.2	172.7	-60.1	0	0	0	0	111.2	P35 S36 P37 E38 R43 F44	P35-S40 PolarHBondContact O-OG 2.94Å; S36-S40 PolarHBondContact O-N 3.02Å; S36-S40 PolarHBondContact O-OG 2.83Å; P37-S40 PolarHBondContact O-N 3.25Å; E38-S40 VanDerWaalsContact C-N 3.34Å; S40-R43 PolarHBondContact O-N 3.47Å; S40-F44 WeakPolarHBondContact O-CB 3.48Å; S40-F44 PolarHBondContact O-N 2.93Å
41	H	83.6	Confident	72.7	Confident	36 Å²	36	90.3 Å²	90.3	17%	0.167	45%	0.454	C	S	.	.	H	α-helix	trans	-62.2	-45.8	175.3	-173.1	-156.6	0	0	0	112.9	P37 E38 R43 F44 R45 W69 E87	P37-H41 VanDerWaalsContact O-CB 3.25Å; P37-H41 WeakPolarHBondContact O-CB 3.47Å; P37-H41 PolarHBondContact O-N 3.3Å; E38-H41 PolarHBondContact O-N 3.11Å; H41-R43 VanDerWaalsContact C-N 3.33Å; H41-R43 PolarHBondContact O-N 3.15Å; H41-F44 WeakPolarHBondContact O-CB 3.31Å; H41-F44 PolarHBondContact O-N 3Å; H41-R45 PolarHBondContact O-N 3.19Å; H41-W69 HydrophobicContact CB-CB 4.22Å; H41-W69 VanDerWaalsContact CB-CD1 3.46Å; H41-W69 HydrophobicContact CB-CD2 4.33Å; H41-W69 HydrophobicContact CB-CG 3.75Å; H41-W69 AromaticContact CD2-CD1 3.96Å; H41-W69 AromaticContact CD2-CD2 3.66Å; H41-W69 AromaticContact CD2-CE2 3.38Å; H41-W69 AromaticContact CD2-CZ2 3.73Å; H41-W69 AromaticContact CD2-NE1 3.55Å; H41-W69 AromaticContact CE1-NE1 3.9Å; H41-W69 AromaticContact CG-CD1 3.63Å; H41-W69 AromaticContact CG-CE2 3.81Å; H41-W69 AromaticContact CG-NE1 3.46Å; H41-W69 AromaticContact ND1-NE1 3.72Å; H41-W69 AromaticContact NE2-CE2 3.6Å; H41-W69 AromaticContact NE2-CZ2 3.51Å; H41-W69 AromaticContact NE2-NE1 3.82Å; H41-E87 IonicContact CD2-OE2 2.63Å; H41-E87 IonicContact CE1-OE2 3.52Å; H41-E87 PolarHBondContact CE1-OE2 2.95Å; H41-E87 IonicContact NE2-OE1 3.55Å; H41-E87 IonicContact NE2-OE2 3.1Å; H41-E87 PolarHBondContact NE2-OE2 3.07Å
42	L	78.6	Confident	74.8	Confident	72 Å²	72	85.5 Å²	85.5	38%	0.377	42%	0.424	S	S	.	.	H	α-helix	trans	-67.6	-34.4	179.2	-170.5	65.2	0	0	0	111.8	E38 R46	E38-L42 VanDerWaalsContact O-CB 3.23Å; E38-L42 WeakPolarHBondContact O-CB 3.49Å; E38-L42 PolarHBondContact O-N 3.39Å; L42-R46 VanDerWaalsContact O-CB 3.32Å; L42-R46 WeakPolarHBondContact O-CB 3.44Å; L42-R46 VanDerWaalsContact O-CG 3.26Å; L42-R46 WeakPolarHBondContact O-CG 3.38Å; L42-R46 PolarHBondContact O-N 2.83Å
43	R	81.3	Confident	76.8	Confident	154 Å²	154	83.2 Å²	83.2	58%	0.581	43%	0.426	S	S	*	.	H	α-helix	trans	-68.5	-43.1	170.2	-76.1	174.4	-176.9	-169.7	2.6	111.4	A39 S40 H41 R45 R46 F47 L65	A39-R43 WeakPolarHBondContact O-CB 3.45Å; A39-R43 VanDerWaalsContact O-CG 3.23Å; A39-R43 WeakPolarHBondContact O-CG 3.49Å; A39-R43 PolarHBondContact O-N 3.38Å; A39-R43 VanDerWaalsContact O-N 3.12Å; S40-R43 PolarHBondContact O-N 3.47Å; H41-R43 VanDerWaalsContact C-N 3.33Å; H41-R43 PolarHBondContact O-N 3.15Å; R43-R45 PolarHBondContact O-N 3.16Å; R43-R46 PolarHBondContact O-N 3.45Å; R43-R46 VanDerWaalsContact O-N 3.15Å; R43-F47 WeakPolarHBondContact O-CB 3.4Å; R43-F47 PolarHBondContact O-N 3.35Å; R43-L65 HydrophobicContact CB-CD1 4.22Å; R43-L65 HydrophobicContact CB-CD2 3.65Å
44	F	84.9	Confident	78.6	Confident	56 Å²	56	79 Å²	79	25%	0.246	40%	0.402	C	S	.	.	H	α-helix	trans	-56.6	-49.9	175.1	-177.5	-104.5	0	0	0	111.8	S40 H41 R46 L62 L65 C66 W69	S40-F44 WeakPolarHBondContact O-CB 3.48Å; S40-F44 PolarHBondContact O-N 2.93Å; H41-F44 WeakPolarHBondContact O-CB 3.31Å; H41-F44 PolarHBondContact O-N 3Å; F44-R46 VanDerWaalsContact C-N 3.26Å; F44-R46 PolarHBondContact O-N 3.01Å; F44-L62 HydrophobicContact CD2-CD2 3.79Å; F44-L62 HydrophobicContact CE2-CB 4.39Å; F44-L62 HydrophobicContact CE2-CD2 3.63Å; F44-L65 HydrophobicContact CB-CB 4.07Å; F44-L65 HydrophobicContact CD2-CB 4.08Å; F44-C66 WeakPolarHBondContact CE2-SG 3.42Å; F44-C66 WeakPolarHBondContact CZ-SG 3.27Å; F44-W69 HydrophobicContact CD1-CE3 4.37Å; F44-W69 HydrophobicContact CD1-CZ3 4.34Å; F44-W69 HydrophobicContact CE1-CZ3 4.32Å
45	R	79.6	Confident	79.4	Confident	80 Å²	80	81.3 Å²	81.3	30%	0.302	41%	0.408	S	S	.	.	H	α-helix	trans	-61.1	-28.2	175.9	-78.6	-176.1	172.3	169.9	4.9	114.6	H41 R43 E87 L90	H41-R45 PolarHBondContact O-N 3.19Å; R43-R45 PolarHBondContact O-N 3.16Å; R45-E87 WeakPolarHBondContact CG-OE1 3.45Å; R45-E87 IonicContact CZ-OE1 2.94Å; R45-E87 IonicContact CZ-OE2 2.66Å; R45-E87 VanDerWaalsContact CZ-OE2 3.32Å; R45-E87 IonicContact NE-OE1 2.73Å; R45-E87 PolarHBondContact NE-OE1 3.02Å; R45-E87 IonicContact NE-OE2 2.74Å; R45-E87 PolarHBondContact NE-OE2 3.07Å; R45-E87 VanDerWaalsContact NE-OE2 3.16Å; R45-E87 IonicContact NH2-OE1 3.77Å; R45-E87 IonicContact NH2-OE2 3.41Å; R45-E87 PolarHBondContact NH2-OE2 3.23Å; R45-L90 VanDerWaalsContact NH2-CD1 3.28Å
46	R	81.8	Confident	80.4	Confident	175 Å²	175	87.4 Å²	87.4	66%	0.66	42%	0.423	S	S	*	.	H	α-helix	trans	-103	-9.1	-173.8	-69.6	179	177.6	179.6	0.9	114.2	L42 R43 F44 R48	L42-R46 VanDerWaalsContact O-CB 3.32Å; L42-R46 WeakPolarHBondContact O-CB 3.44Å; L42-R46 VanDerWaalsContact O-CG 3.26Å; L42-R46 WeakPolarHBondContact O-CG 3.38Å; L42-R46 PolarHBondContact O-N 2.83Å; R43-R46 PolarHBondContact O-N 3.45Å; R43-R46 VanDerWaalsContact O-N 3.15Å; F44-R46 VanDerWaalsContact C-N 3.26Å; F44-R46 PolarHBondContact O-N 3.01Å; R46-R48 PolarHBondContact O-N 2.97Å
47	F	84.9	Confident	81.2	Confident	39 Å²	39	88.7 Å²	88.7	17%	0.171	42%	0.424	C	S	.	.			trans	-56	128.6	-176.1	179.5	-99.7	0	0	0	111.9	R43 E51 A52 A58 R61 L62 L65	R43-F47 WeakPolarHBondContact O-CB 3.4Å; R43-F47 PolarHBondContact O-N 3.35Å; F47-E51 WeakPolarHBondContact CD2-OE2 3.36Å; F47-E51 HydrophobicContact CE2-CB 4.34Å; F47-A52 HydrophobicContact CZ-CB 4.22Å; F47-A58 HydrophobicContact CE1-CB 4.17Å; F47-A58 HydrophobicContact CZ-CB 4.24Å; F47-R61 HydrophobicContact CE2-CB 4.06Å; F47-R61 HydrophobicContact CZ-CB 4.28Å; F47-L62 HydrophobicContact CB-CD2 4.14Å; F47-L62 HydrophobicContact CD1-CD1 4.11Å; F47-L62 HydrophobicContact CD1-CD2 3.58Å; F47-L62 HydrophobicContact CD1-CG 3.74Å; F47-L62 HydrophobicContact CE1-CD1 4.1Å; F47-L62 HydrophobicContact CE1-CD2 4.25Å; F47-L62 HydrophobicContact CE1-CG 3.88Å; F47-L62 HydrophobicContact CG-CD2 4Å; F47-L62 HydrophobicContact CG-CG 4.44Å; F47-L65 HydrophobicContact CB-CD1 4.46Å; F47-L65 HydrophobicContact CD2-CD1 4.31Å
48	R	84.8	Confident	81.7	Confident	160 Å²	160	87.4 Å²	87.4	60%	0.604	42%	0.416	S	S	*	.			trans	-111.6	138.6	177.9	-62.8	-177.8	174.4	-171.1	-2.4	110.1	R46 Q50 E51	R46-R48 PolarHBondContact O-N 2.97Å; R48-Q50 HydrophobicContact CB-CB 4.5Å; R48-Q50 PolarHBondContact O-N 2.96Å; R48-E51 HydrophobicContact CB-CG 4.18Å; R48-E51 PolarHBondContact N-OE2 2.68Å; R48-E51 VanDerWaalsContact O-CB 3.27Å; R48-E51 WeakPolarHBondContact O-CB 3.48Å; R48-E51 PolarHBondContact O-N 3.35Å
49	F	80.9	Confident	82.3	Confident	129 Å²	129	85.9 Å²	85.9	57%	0.566	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-54	-29	175.2	-173.2	-94.2	0	0	0	113.2	E51 A52 P55 A58	F49-E51 PolarHBondContact O-N 2.93Å; F49-A52 PolarHBondContact O-N 3.01Å; F49-P55 HydrophobicContact CE2-CB 4.24Å; F49-P55 HydrophobicContact CZ-CB 4.47Å; F49-A58 HydrophobicContact CD2-CB 3.99Å; F49-A58 HydrophobicContact CE2-CB 4.08Å
50	Q	84.7	Confident	82.8	Confident	166 Å²	166	86.9 Å²	86.9	78%	0.776	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-62.4	-15.5	174.8	-66.3	168.2	-19.8	0	0	114.3	R48	R48-Q50 HydrophobicContact CB-CB 4.5Å; R48-Q50 PolarHBondContact O-N 2.96Å
51	E	78.8	Confident	83	Confident	95 Å²	95	90.6 Å²	90.6	44%	0.444	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-87.6	-8.8	-178.5	-63.6	160.2	-177.2	0	0	112.6	F47 R48 F49 R61	F47-E51 WeakPolarHBondContact CD2-OE2 3.36Å; F47-E51 HydrophobicContact CE2-CB 4.34Å; R48-E51 HydrophobicContact CB-CG 4.18Å; R48-E51 PolarHBondContact N-OE2 2.68Å; R48-E51 VanDerWaalsContact O-CB 3.27Å; R48-E51 WeakPolarHBondContact O-CB 3.48Å; R48-E51 PolarHBondContact O-N 3.35Å; F49-E51 PolarHBondContact O-N 2.93Å; E51-R61 PolarHBondContact O-NH1 3.22Å; E51-R61 PolarHBondContact O-NH2 3.31Å
52	A	83.6	Confident	83.1	Confident	16 Å²	16	91.5 Å²	91.5	13%	0.132	44%	0.436	C	S	.	.	S	Bend	trans	-116.6	149.2	179.1	0	0	0	0	0	111.8	F47 F49 G54 E57 A58	F47-A52 HydrophobicContact CZ-CB 4.22Å; F49-A52 PolarHBondContact O-N 3.01Å; A52-G54 PolarHBondContact O-N 3.15Å; A52-E57 HydrophobicContact CB-CB 4.27Å; A52-E57 HydrophobicContact CB-CG 4.21Å; A52-A58 HydrophobicContact CB-CB 3.99Å
53	A	80.9	Confident	83.5	Confident	102 Å²	102	93.4 Å²	93.4	84%	0.843	44%	0.442	S	S	*	.	S	Bend	trans	-76.4	-6.8	179.5	0	0	0	0	0	113.8	E57	A53-E57 WeakPolarHBondContact CB-OE2 3.16Å; A53-E57 PolarHBondContact N-OE2 2.91Å
54	G	84.9	Confident	83.8	Confident	19 Å²	19	92.4 Å²	92.4	20%	0.196	44%	0.444	C	S	.	.	S	Bend	trans	176.1	175.2	175.7	0	0	0	0	0	114.2	A52 R56 E57 A58	A52-G54 PolarHBondContact O-N 3.15Å; G54-R56 VanDerWaalsContact C-N 3.33Å; G54-R56 PolarHBondContact O-N 3.15Å; G54-E57 PolarHBondContact O-N 3.09Å; G54-A58 PolarHBondContact O-N 3.2Å
55	P	74	Confident	83.9	Confident	98 Å²	98	91.1 Å²	91.1	64%	0.636	44%	0.44	S	S	*	.	H	α-helix	trans	-66.1	-28.6	-171.9	25.6	-34.7	0	0	0	114.4	F49 L59	F49-P55 HydrophobicContact CE2-CB 4.24Å; F49-P55 HydrophobicContact CZ-CB 4.47Å; P55-L59 PolarHBondContact O-N 2.82Å; P55-L59 VanDerWaalsContact O-N 3.1Å
56	R	82.3	Confident	84.2	Confident	192 Å²	192	89.1 Å²	89.1	73%	0.725	44%	0.438	S	S	*	.	H	α-helix	trans	-67.8	-46.7	174.4	-72.5	-175	178.6	-104.2	6.9	111.5	G54 L59 S60	G54-R56 VanDerWaalsContact C-N 3.33Å; G54-R56 PolarHBondContact O-N 3.15Å; R56-L59 PolarHBondContact O-N 3.47Å; R56-S60 PolarHBondContact O-N 3.38Å; R56-S60 PolarHBondContact O-OG 3.33Å
57	E	88.1	Confident	84.3	Confident	70 Å²	70	85.7 Å²	85.7	33%	0.327	43%	0.429	S	S	.	.	H	α-helix	trans	-66.4	-39.4	176.6	-174.5	-174.9	-164.6	0	0	111.7	A52 A53 G54 L59 S60 R61	A52-E57 HydrophobicContact CB-CB 4.27Å; A52-E57 HydrophobicContact CB-CG 4.21Å; A53-E57 WeakPolarHBondContact CB-OE2 3.16Å; A53-E57 PolarHBondContact N-OE2 2.91Å; G54-E57 PolarHBondContact O-N 3.09Å; E57-L59 VanDerWaalsContact C-N 3.28Å; E57-L59 PolarHBondContact O-N 3.1Å; E57-S60 PolarHBondContact O-N 3.42Å; E57-R61 HydrophobicContact CG-CG 4.28Å; E57-R61 WeakPolarHBondContact O-CG 3.32Å; E57-R61 PolarHBondContact O-N 3.06Å; E57-R61 IonicContact OE1-CZ 2.68Å; E57-R61 VanDerWaalsContact OE1-CZ 3.25Å; E57-R61 IonicContact OE1-NE 2.67Å; E57-R61 PolarHBondContact OE1-NE 2.87Å; E57-R61 VanDerWaalsContact OE1-NE 3.1Å; E57-R61 IonicContact OE1-NH2 3.92Å; E57-R61 PolarHBondContact OE1-NH2 2.96Å; E57-R61 IonicContact OE2-NH2 3.32Å
58	A	87.3	Confident	84.3	Confident	6 Å²	6	84.9 Å²	84.9	5%	0.05	43%	0.432	C	S	.	.	H	α-helix	trans	-58.2	-41.2	174.7	0	0	0	0	0	111.9	F47 F49 A52 G54 L62	F47-A58 HydrophobicContact CE1-CB 4.17Å; F47-A58 HydrophobicContact CZ-CB 4.24Å; F49-A58 HydrophobicContact CD2-CB 3.99Å; F49-A58 HydrophobicContact CE2-CB 4.08Å; A52-A58 HydrophobicContact CB-CB 3.99Å; G54-A58 PolarHBondContact O-N 3.2Å; A58-L62 WeakPolarHBondContact O-CB 3.46Å; A58-L62 WeakPolarHBondContact O-CD1 3.46Å; A58-L62 VanDerWaalsContact O-CG 3.25Å; A58-L62 WeakPolarHBondContact O-CG 3.25Å; A58-L62 PolarHBondContact O-N 3.16Å; A58-L62 VanDerWaalsContact O-N 3.09Å
59	L	85.3	Confident	84.3	Confident	99 Å²	99	77.8 Å²	77.8	52%	0.518	41%	0.405	S	S	.	.	H	α-helix	trans	-65.1	-47.7	174.6	-180	60.7	0	0	0	111.9	P55 R56 E57 L62 Q63	P55-L59 PolarHBondContact O-N 2.82Å; P55-L59 VanDerWaalsContact O-N 3.1Å; R56-L59 PolarHBondContact O-N 3.47Å; E57-L59 VanDerWaalsContact C-N 3.28Å; E57-L59 PolarHBondContact O-N 3.1Å; L59-L62 PolarHBondContact O-N 2.91Å; L59-Q63 HydrophobicContact CD1-CG 4.31Å; L59-Q63 VanDerWaalsContact O-CG 3.31Å; L59-Q63 WeakPolarHBondContact O-CG 3.22Å; L59-Q63 PolarHBondContact O-N 3.11Å
60	S	87.4	Confident	84.5	Confident	56 Å²	56	72.7 Å²	72.7	39%	0.392	38%	0.383	S	S	.	.	H	α-helix	trans	-60.5	-46.3	179.3	-60.9	0	0	0	0	112.5	R56 E57 L62 Q63 E64	R56-S60 PolarHBondContact O-N 3.38Å; R56-S60 PolarHBondContact O-OG 3.33Å; E57-S60 PolarHBondContact O-N 3.42Å; S60-L62 VanDerWaalsContact C-N 3.35Å; S60-L62 PolarHBondContact O-N 3.24Å; S60-Q63 WeakPolarHBondContact O-CB 3.12Å; S60-Q63 PolarHBondContact O-N 2.81Å; S60-Q63 VanDerWaalsContact O-N 3.16Å; S60-E64 WeakPolarHBondContact O-CG 3.47Å; S60-E64 PolarHBondContact O-N 3.2Å
61	R	84.7	Confident	84.4	Confident	83 Å²	83	68.8 Å²	68.8	31%	0.313	36%	0.362	S	S	.	.	H	α-helix	trans	-64.3	-37.1	176.8	-68.9	-173.6	-174.4	-174.4	11.7	112.6	F47 E51 E57 E64 L65	F47-R61 HydrophobicContact CE2-CB 4.06Å; F47-R61 HydrophobicContact CZ-CB 4.28Å; E51-R61 PolarHBondContact O-NH1 3.22Å; E51-R61 PolarHBondContact O-NH2 3.31Å; E57-R61 HydrophobicContact CG-CG 4.28Å; E57-R61 WeakPolarHBondContact O-CG 3.32Å; E57-R61 PolarHBondContact O-N 3.06Å; E57-R61 IonicContact OE1-CZ 2.68Å; E57-R61 VanDerWaalsContact OE1-CZ 3.25Å; E57-R61 IonicContact OE1-NE 2.67Å; E57-R61 PolarHBondContact OE1-NE 2.87Å; E57-R61 VanDerWaalsContact OE1-NE 3.1Å; E57-R61 IonicContact OE1-NH2 3.92Å; E57-R61 PolarHBondContact OE1-NH2 2.96Å; E57-R61 IonicContact OE2-NH2 3.32Å; R61-E64 PolarHBondContact O-N 2.86Å; R61-L65 WeakPolarHBondContact O-CB 3.35Å; R61-L65 VanDerWaalsContact O-CG 3.24Å; R61-L65 WeakPolarHBondContact O-CG 3.42Å; R61-L65 PolarHBondContact O-N 3.43Å
62	L	86.1	Confident	84.5	Confident	55 Å²	55	67.1 Å²	67.1	29%	0.288	36%	0.359	S	S	.	.	H	α-helix	trans	-66.2	-37.5	173.7	-76.9	168.5	0	0	0	111.8	F44 F47 A58 L59 S60 C66	F44-L62 HydrophobicContact CD2-CD2 3.79Å; F44-L62 HydrophobicContact CE2-CB 4.39Å; F44-L62 HydrophobicContact CE2-CD2 3.63Å; F47-L62 HydrophobicContact CB-CD2 4.14Å; F47-L62 HydrophobicContact CD1-CD1 4.11Å; F47-L62 HydrophobicContact CD1-CD2 3.58Å; F47-L62 HydrophobicContact CD1-CG 3.74Å; F47-L62 HydrophobicContact CE1-CD1 4.1Å; F47-L62 HydrophobicContact CE1-CD2 4.25Å; F47-L62 HydrophobicContact CE1-CG 3.88Å; F47-L62 HydrophobicContact CG-CD2 4Å; F47-L62 HydrophobicContact CG-CG 4.44Å; A58-L62 WeakPolarHBondContact O-CB 3.46Å; A58-L62 WeakPolarHBondContact O-CD1 3.46Å; A58-L62 VanDerWaalsContact O-CG 3.25Å; A58-L62 WeakPolarHBondContact O-CG 3.25Å; A58-L62 PolarHBondContact O-N 3.16Å; A58-L62 VanDerWaalsContact O-N 3.09Å; L59-L62 PolarHBondContact O-N 2.91Å; S60-L62 VanDerWaalsContact C-N 3.35Å; S60-L62 PolarHBondContact O-N 3.24Å; L62-C66 WeakPolarHBondContact O-CB 3.22Å; L62-C66 PolarHBondContact O-N 3.21Å
63	Q	87.6	Confident	84.5	Confident	112 Å²	112	72.1 Å²	72.1	52%	0.523	38%	0.379	S	S	.	.	H	α-helix	trans	-64.7	-46.1	174.2	-72.9	169.7	-32	0	0	111.7	L59 S60 L65 C66 H67	L59-Q63 HydrophobicContact CD1-CG 4.31Å; L59-Q63 VanDerWaalsContact O-CG 3.31Å; L59-Q63 WeakPolarHBondContact O-CG 3.22Å; L59-Q63 PolarHBondContact O-N 3.11Å; S60-Q63 WeakPolarHBondContact O-CB 3.12Å; S60-Q63 PolarHBondContact O-N 2.81Å; S60-Q63 VanDerWaalsContact O-N 3.16Å; Q63-L65 PolarHBondContact O-N 3.42Å; Q63-C66 PolarHBondContact O-N 2.85Å; Q63-H67 VanDerWaalsContact O-CB 3.28Å; Q63-H67 WeakPolarHBondContact O-CB 3.2Å; Q63-H67 PolarHBondContact O-N 3.27Å
64	E	86.9	Confident	84.2	Confident	132 Å²	132	74.5 Å²	74.5	62%	0.617	38%	0.375	S	S	*	.	H	α-helix	trans	-57.7	-46.3	174.6	-71.7	165	-169.4	0	0	112	S60 R61 H67 G68	S60-E64 WeakPolarHBondContact O-CG 3.47Å; S60-E64 PolarHBondContact O-N 3.2Å; R61-E64 PolarHBondContact O-N 2.86Å; E64-H67 PolarHBondContact O-N 2.78Å; E64-G68 PolarHBondContact O-N 2.81Å
65	L	86.9	Confident	84	Confident	30 Å²	30	77.4 Å²	77.4	16%	0.157	38%	0.38	C	S	.	.	H	α-helix	trans	-68.2	-39.9	179	-70.3	172.3	0	0	0	112.7	R43 F44 F47 R61 Q63 H67 W69	R43-L65 HydrophobicContact CB-CD1 4.22Å; R43-L65 HydrophobicContact CB-CD2 3.65Å; F44-L65 HydrophobicContact CB-CB 4.07Å; F44-L65 HydrophobicContact CD2-CB 4.08Å; F47-L65 HydrophobicContact CB-CD1 4.46Å; F47-L65 HydrophobicContact CD2-CD1 4.31Å; R61-L65 WeakPolarHBondContact O-CB 3.35Å; R61-L65 VanDerWaalsContact O-CG 3.24Å; R61-L65 WeakPolarHBondContact O-CG 3.42Å; R61-L65 PolarHBondContact O-N 3.43Å; Q63-L65 PolarHBondContact O-N 3.42Å; L65-H67 VanDerWaalsContact C-N 3.34Å; L65-W69 WeakPolarHBondContact O-CB 3.46Å; L65-W69 PolarHBondContact O-N 2.98Å; L65-W69 VanDerWaalsContact O-N 3.11Å
66	C	85.7	Confident	84.6	Confident	37 Å²	37	75.9 Å²	75.9	25%	0.25	37%	0.369	C	S	.	.	H	α-helix	trans	-57.5	-46.9	169.7	-89.7	0	0	0	0	111.7	F44 L62 Q63 W69 L70	F44-C66 WeakPolarHBondContact CE2-SG 3.42Å; F44-C66 WeakPolarHBondContact CZ-SG 3.27Å; L62-C66 WeakPolarHBondContact O-CB 3.22Å; L62-C66 PolarHBondContact O-N 3.21Å; Q63-C66 PolarHBondContact O-N 2.85Å; C66-W69 PolarHBondContact O-N 3.47Å; C66-L70 WeakPolarHBondContact O-CB 3.44Å; C66-L70 WeakPolarHBondContact O-CG 3.39Å; C66-L70 PolarHBondContact O-N 2.9Å
67	H	84.6	Confident	84.5	Confident	104 Å²	104	74.6 Å²	74.6	48%	0.481	37%	0.368	S	S	.	.	H	α-helix	trans	-65.5	-45.3	-176.7	-165.9	63	0	0	0	111.1	Q63 E64 L65 W69 R71 E73	Q63-H67 VanDerWaalsContact O-CB 3.28Å; Q63-H67 WeakPolarHBondContact O-CB 3.2Å; Q63-H67 PolarHBondContact O-N 3.27Å; E64-H67 PolarHBondContact O-N 2.78Å; L65-H67 VanDerWaalsContact C-N 3.34Å; H67-W69 VanDerWaalsContact C-N 3.34Å; H67-W69 PolarHBondContact O-N 3.07Å; H67-R71 WeakPolarHBondContact O-CA 3.45Å; H67-R71 PolarHBondContact O-N 3.12Å; H67-E73 IonicContact CE1-OE1 3.43Å; H67-E73 PolarHBondContact CE1-OE1 3.07Å; H67-E73 IonicContact ND1-OE1 3.73Å; H67-E73 IonicContact NE2-OE1 3.84Å
68	G	84.4	Confident	84.2	Confident	22 Å²	22	77.1 Å²	77.1	23%	0.227	38%	0.38	C	S	.	.	H	α-helix	trans	-65.4	-29.4	176.2	0	0	0	0	0	115.2	E64 R71	E64-G68 PolarHBondContact O-N 2.81Å; G68-R71 WeakPolarHBondContact O-CG 3.24Å; G68-R71 PolarHBondContact O-NE 2.95Å
69	W	85.7	Confident	83.9	Confident	10 Å²	10	81.5 Å²	81.5	4%	0.038	40%	0.4	C	S	.	.	H	α-helix	trans	-76.7	-55.5	173.6	164.8	40.3	0	0	0	112.4	H41 F44 L65 C66 H67 R75 L83 L84 E87	H41-W69 HydrophobicContact CB-CB 4.22Å; H41-W69 VanDerWaalsContact CB-CD1 3.46Å; H41-W69 HydrophobicContact CB-CD2 4.33Å; H41-W69 HydrophobicContact CB-CG 3.75Å; H41-W69 AromaticContact CD2-CD1 3.96Å; H41-W69 AromaticContact CD2-CD2 3.66Å; H41-W69 AromaticContact CD2-CE2 3.38Å; H41-W69 AromaticContact CD2-CZ2 3.73Å; H41-W69 AromaticContact CD2-NE1 3.55Å; H41-W69 AromaticContact CE1-NE1 3.9Å; H41-W69 AromaticContact CG-CD1 3.63Å; H41-W69 AromaticContact CG-CE2 3.81Å; H41-W69 AromaticContact CG-NE1 3.46Å; H41-W69 AromaticContact ND1-NE1 3.72Å; H41-W69 AromaticContact NE2-CE2 3.6Å; H41-W69 AromaticContact NE2-CZ2 3.51Å; H41-W69 AromaticContact NE2-NE1 3.82Å; F44-W69 HydrophobicContact CD1-CE3 4.37Å; F44-W69 HydrophobicContact CD1-CZ3 4.34Å; F44-W69 HydrophobicContact CE1-CZ3 4.32Å; L65-W69 WeakPolarHBondContact O-CB 3.46Å; L65-W69 PolarHBondContact O-N 2.98Å; L65-W69 VanDerWaalsContact O-N 3.11Å; C66-W69 PolarHBondContact O-N 3.47Å; H67-W69 VanDerWaalsContact C-N 3.34Å; H67-W69 PolarHBondContact O-N 3.07Å; W69-R75 PolarHBondContact O-NH2 3.37Å; W69-L83 HydrophobicContact CZ2-CB 4.22Å; W69-L84 HydrophobicContact CH2-CD2 4.01Å; W69-L84 HydrophobicContact CZ3-CD2 4.06Å; W69-E87 HydrophobicContact CH2-CB 3.94Å; W69-E87 HydrophobicContact CH2-CG 4.06Å; W69-E87 HydrophobicContact CZ2-CB 4.37Å
70	L	83.9	Confident	83.9	Confident	22 Å²	22	78.2 Å²	78.2	12%	0.115	38%	0.383	C	S	.	.	H	α-helix	trans	-74.5	-32.7	-172.4	-63.9	173.3	0	0	0	111.8	C66 R75 I80 L83 L84	C66-L70 WeakPolarHBondContact O-CB 3.44Å; C66-L70 WeakPolarHBondContact O-CG 3.39Å; C66-L70 PolarHBondContact O-N 2.9Å; L70-R75 WeakPolarHBondContact O-CD 3.33Å; L70-R75 WeakPolarHBondContact O-CG 3.49Å; L70-R75 PolarHBondContact O-NE 3.3Å; L70-I80 HydrophobicContact CD1-CG2 4.24Å; L70-I80 HydrophobicContact CD2-CG2 4.39Å; L70-L83 HydrophobicContact CD2-CB 4.08Å; L70-L83 HydrophobicContact CD2-CD1 4.18Å; L70-L84 HydrophobicContact CD1-CD2 4.38Å; L70-L84 HydrophobicContact CD2-CD2 4.46Å; L70-L84 HydrophobicContact CD2-CG 4.49Å
71	R	84.1	Confident	83.8	Confident	85 Å²	85	80.6 Å²	80.6	32%	0.321	39%	0.39	S	S	.	.			trans	45.5	65.3	-176.4	-61.3	-170.5	176.6	-170.2	-4.1	112.2	G34 P35 H67 G68 E73 M74 R75	G34-R71 PolarHBondContact O-NH2 3.1Å; P35-R71 PolarHBondContact O-NH2 3.22Å; H67-R71 WeakPolarHBondContact O-CA 3.45Å; H67-R71 PolarHBondContact O-N 3.12Å; G68-R71 WeakPolarHBondContact O-CG 3.24Å; G68-R71 PolarHBondContact O-NE 2.95Å; R71-E73 VanDerWaalsContact C-OE2 3.26Å; R71-E73 WeakPolarHBondContact CA-OE2 3.4Å; R71-E73 PolarHBondContact O-N 3.01Å; R71-M74 HydrophobicContact CB-CB 4.24Å; R71-M74 HydrophobicContact CB-CG 4.46Å; R71-M74 PolarHBondContact O-N 2.77Å; R71-R75 PolarHBondContact O-N 2.82Å
72	P	80.4	Confident	83.7	Confident	59 Å²	59	81.9 Å²	81.9	38%	0.383	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-6.8	-175.5	26.4	-31.2	0	0	0	114.5	M74 I80	P72-M74 VanDerWaalsContact C-N 3.31Å; P72-I80 HydrophobicContact CB-CD1 3.81Å
73	E	82.8	Confident	83.7	Confident	121 Å²	121	80.3 Å²	80.3	57%	0.565	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-25.2	169.3	-53.3	62.4	-126.8	0	0	111.8	H67 R71	H67-E73 IonicContact CE1-OE1 3.43Å; H67-E73 PolarHBondContact CE1-OE1 3.07Å; H67-E73 IonicContact ND1-OE1 3.73Å; H67-E73 IonicContact NE2-OE1 3.84Å; R71-E73 VanDerWaalsContact C-OE2 3.26Å; R71-E73 WeakPolarHBondContact CA-OE2 3.4Å; R71-E73 PolarHBondContact O-N 3.01Å
74	M	74.7	Confident	83.6	Confident	152 Å²	152	78.7 Å²	78.7	75%	0.749	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	-7.8	-168.6	-62.1	-60.5	-58.6	0	0	113.8	R71 P72	R71-M74 HydrophobicContact CB-CB 4.24Å; R71-M74 HydrophobicContact CB-CG 4.46Å; R71-M74 PolarHBondContact O-N 2.77Å; P72-M74 VanDerWaalsContact C-N 3.31Å
75	R	81.9	Confident	83.5	Confident	81 Å²	81	76.3 Å²	76.3	31%	0.306	38%	0.38	S	S	.	.	S	Bend	trans	-126.9	145.4	-177.6	-57.1	-162.9	-149.4	-124.2	13.5	111.6	W69 L70 R71 Q79 I80 L83	W69-R75 PolarHBondContact O-NH2 3.37Å; L70-R75 WeakPolarHBondContact O-CD 3.33Å; L70-R75 WeakPolarHBondContact O-CG 3.49Å; L70-R75 PolarHBondContact O-NE 3.3Å; R71-R75 PolarHBondContact O-N 2.82Å; R75-Q79 HydrophobicContact CB-CB 4.11Å; R75-I80 HydrophobicContact CB-CD1 4.44Å; R75-I80 HydrophobicContact CB-CG1 3.93Å; R75-L83 VanDerWaalsContact CZ-CD1 3.42Å
76	T	86.4	Confident	83.5	Confident	65 Å²	65	75.4 Å²	75.4	40%	0.399	38%	0.376	S	S	.	.			trans	-73.1	165.1	173.5	83.6	0	0	0	0	111.5	E78 Q79 I80	T76-E78 WeakPolarHBondContact CB-OE2 3.42Å; T76-E78 PolarHBondContact O-N 3.31Å; T76-E78 PolarHBondContact OG1-N 3.19Å; T76-E78 PolarHBondContact OG1-OE2 3.45Å; T76-Q79 PolarHBondContact O-N 2.88Å; T76-Q79 PolarHBondContact OG1-N 3.08Å; T76-I80 WeakPolarHBondContact O-CD1 3.47Å; T76-I80 VanDerWaalsContact O-CG1 3.31Å; T76-I80 WeakPolarHBondContact O-CG1 3.42Å; T76-I80 PolarHBondContact O-N 3.02Å
77	K	80.9	Confident	83.5	Confident	165 Å²	165	75 Å²	75	72%	0.717	37%	0.37	S	S	*	.	H	α-helix	trans	-59.8	-35.3	179.2	-67.8	-179.3	179.6	178	0	111.9	I80 L81	K77-I80 PolarHBondContact O-N 2.91Å; K77-L81 WeakPolarHBondContact O-CB 3.38Å; K77-L81 VanDerWaalsContact O-CG 3.26Å; K77-L81 WeakPolarHBondContact O-CG 3.37Å; K77-L81 PolarHBondContact O-N 2.74Å
78	E	81.4	Confident	83.6	Confident	123 Å²	123	75.7 Å²	75.7	58%	0.575	37%	0.374	S	S	*	.	H	α-helix	trans	-67.5	-46	178.2	-55.3	67.2	-142.4	0	0	110.2	T76 I80 L81 E82	T76-E78 WeakPolarHBondContact CB-OE2 3.42Å; T76-E78 PolarHBondContact O-N 3.31Å; T76-E78 PolarHBondContact OG1-N 3.19Å; T76-E78 PolarHBondContact OG1-OE2 3.45Å; E78-I80 VanDerWaalsContact C-N 3.33Å; E78-I80 PolarHBondContact O-N 3.05Å; E78-L81 PolarHBondContact O-N 3.47Å; E78-E82 PolarHBondContact O-N 2.89Å
79	Q	80.1	Confident	83.6	Confident	99 Å²	99	77.1 Å²	77.1	46%	0.463	37%	0.373	S	S	.	.	H	α-helix	trans	-64	-36	175.7	-67.5	172.7	-25.7	0	0	112.7	R75 T76 L83	R75-Q79 HydrophobicContact CB-CB 4.11Å; T76-Q79 PolarHBondContact O-N 2.88Å; T76-Q79 PolarHBondContact OG1-N 3.08Å; Q79-L83 WeakPolarHBondContact O-CG 3.2Å; Q79-L83 PolarHBondContact O-N 3.42Å
80	I	85.7	Confident	83.4	Confident	30 Å²	30	76.9 Å²	76.9	15%	0.154	37%	0.373	C	S	.	.	H	α-helix	trans	-67.2	-41.3	174.1	-65.8	160.8	0	0	0	110.6	L70 P72 R75 T76 K77 E78 L83 L84	L70-I80 HydrophobicContact CD1-CG2 4.24Å; L70-I80 HydrophobicContact CD2-CG2 4.39Å; P72-I80 HydrophobicContact CB-CD1 3.81Å; R75-I80 HydrophobicContact CB-CD1 4.44Å; R75-I80 HydrophobicContact CB-CG1 3.93Å; T76-I80 WeakPolarHBondContact O-CD1 3.47Å; T76-I80 VanDerWaalsContact O-CG1 3.31Å; T76-I80 WeakPolarHBondContact O-CG1 3.42Å; T76-I80 PolarHBondContact O-N 3.02Å; K77-I80 PolarHBondContact O-N 2.91Å; E78-I80 VanDerWaalsContact C-N 3.33Å; E78-I80 PolarHBondContact O-N 3.05Å; I80-L83 PolarHBondContact O-N 3.14Å; I80-L84 HydrophobicContact CG2-CD1 4.1Å; I80-L84 WeakPolarHBondContact O-CG 3.44Å; I80-L84 PolarHBondContact O-N 2.79Å; I80-L84 VanDerWaalsContact O-N 3.15Å
81	L	84.3	Confident	83.2	Confident	105 Å²	105	79.4 Å²	79.4	55%	0.55	39%	0.39	S	S	.	.	H	α-helix	trans	-64	-42.5	176	-74.5	167.5	0	0	0	111.8	K77 E78 L83 L84 V85	K77-L81 WeakPolarHBondContact O-CB 3.38Å; K77-L81 VanDerWaalsContact O-CG 3.26Å; K77-L81 WeakPolarHBondContact O-CG 3.37Å; K77-L81 PolarHBondContact O-N 2.74Å; E78-L81 PolarHBondContact O-N 3.47Å; L81-L83 VanDerWaalsContact C-N 3.34Å; L81-L83 PolarHBondContact O-N 3.04Å; L81-L84 PolarHBondContact O-N 2.89Å; L81-V85 WeakPolarHBondContact O-CB 3.36Å; L81-V85 VanDerWaalsContact O-CG2 3.31Å; L81-V85 WeakPolarHBondContact O-CG2 3.24Å; L81-V85 PolarHBondContact O-N 3.49Å
82	E	84.3	Confident	83.2	Confident	111 Å²	111	81 Å²	81	52%	0.519	40%	0.403	S	S	.	.	H	α-helix	trans	-59.6	-40.5	175.6	-75.4	-57.1	134.8	0	0	112.6	E78 L84 V85 L86	E78-E82 PolarHBondContact O-N 2.89Å; E82-L84 PolarHBondContact O-N 3.16Å; E82-V85 PolarHBondContact O-N 3.33Å; E82-L86 VanDerWaalsContact O-CB 3.25Å; E82-L86 WeakPolarHBondContact O-CB 3.37Å; E82-L86 PolarHBondContact O-N 2.96Å
83	L	84.6	Confident	83.3	Confident	22 Å²	22	79.3 Å²	79.3	12%	0.115	39%	0.391	C	S	.	.	H	α-helix	trans	-65.6	-37.7	175.7	-67.7	165.1	0	0	0	112.7	W69 L70 R75 Q79 I80 L81 E87	W69-L83 HydrophobicContact CZ2-CB 4.22Å; L70-L83 HydrophobicContact CD2-CB 4.08Å; L70-L83 HydrophobicContact CD2-CD1 4.18Å; R75-L83 VanDerWaalsContact CZ-CD1 3.42Å; Q79-L83 WeakPolarHBondContact O-CG 3.2Å; Q79-L83 PolarHBondContact O-N 3.42Å; I80-L83 PolarHBondContact O-N 3.14Å; L81-L83 VanDerWaalsContact C-N 3.34Å; L81-L83 PolarHBondContact O-N 3.04Å; L83-E87 WeakPolarHBondContact O-CB 3.48Å; L83-E87 PolarHBondContact O-N 2.75Å
84	L	85.8	Confident	83.2	Confident	77 Å²	77	76.9 Å²	76.9	40%	0.403	39%	0.385	S	S	.	.	H	α-helix	trans	-72.2	-34.7	176.2	-67.7	169.5	0	0	0	111.9	W69 L70 I80 L81 E82 Q88	W69-L84 HydrophobicContact CH2-CD2 4.01Å; W69-L84 HydrophobicContact CZ3-CD2 4.06Å; L70-L84 HydrophobicContact CD1-CD2 4.38Å; L70-L84 HydrophobicContact CD2-CD2 4.46Å; L70-L84 HydrophobicContact CD2-CG 4.49Å; I80-L84 HydrophobicContact CG2-CD1 4.1Å; I80-L84 WeakPolarHBondContact O-CG 3.44Å; I80-L84 PolarHBondContact O-N 2.79Å; I80-L84 VanDerWaalsContact O-N 3.15Å; L81-L84 PolarHBondContact O-N 2.89Å; E82-L84 PolarHBondContact O-N 3.16Å; L84-Q88 WeakPolarHBondContact O-CB 3.24Å; L84-Q88 PolarHBondContact O-N 2.99Å
85	V	86.1	Confident	83.3	Confident	82 Å²	82	76.1 Å²	76.1	50%	0.497	38%	0.38	S	S	.	.	H	α-helix	trans	-68.7	-42.5	173	168.4	0	0	0	0	110.8	L81 E82 Q88 F89	L81-V85 WeakPolarHBondContact O-CB 3.36Å; L81-V85 VanDerWaalsContact O-CG2 3.31Å; L81-V85 WeakPolarHBondContact O-CG2 3.24Å; L81-V85 PolarHBondContact O-N 3.49Å; E82-V85 PolarHBondContact O-N 3.33Å; V85-Q88 CarbonylContact O-C 3.58Å; V85-Q88 PolarHBondContact O-N 2.99Å; V85-F89 VanDerWaalsContact O-CB 3.29Å; V85-F89 WeakPolarHBondContact O-CB 3.41Å; V85-F89 PolarHBondContact O-N 3.42Å
86	L	85.8	Confident	83	Confident	12 Å²	12	79.4 Å²	79.4	6%	0.063	40%	0.399	C	S	.	.	H	α-helix	trans	-59.9	-46.1	172.4	170.8	60.8	0	0	0	111.5	E82 Q88 F89 L90 P106 A112	E82-L86 VanDerWaalsContact O-CB 3.25Å; E82-L86 WeakPolarHBondContact O-CB 3.37Å; E82-L86 PolarHBondContact O-N 2.96Å; L86-Q88 PolarHBondContact O-N 3.23Å; L86-F89 PolarHBondContact O-N 3.5Å; L86-L90 HydrophobicContact CD1-CD1 3.89Å; L86-L90 HydrophobicContact CD1-CG 4.01Å; L86-L90 HydrophobicContact CG-CD1 4.18Å; L86-L90 VanDerWaalsContact O-CG 3.31Å; L86-L90 WeakPolarHBondContact O-CG 3.36Å; L86-L90 PolarHBondContact O-N 3.14Å; L86-P106 HydrophobicContact CD1-CG 4.42Å; L86-P106 WeakPolarHBondContact CD2-O 3.38Å; L86-A112 HydrophobicContact CD1-CB 3.52Å
87	E	85.2	Confident	82.6	Confident	29 Å²	29	77.1 Å²	77.1	14%	0.136	38%	0.384	C	S	.	.	H	α-helix	trans	-59.9	-46.8	175.3	-171	65	-167.1	0	0	111.5	H41 R45 W69 L83 F89 L90 T91	H41-E87 IonicContact CD2-OE2 2.63Å; H41-E87 IonicContact CE1-OE2 3.52Å; H41-E87 PolarHBondContact CE1-OE2 2.95Å; H41-E87 IonicContact NE2-OE1 3.55Å; H41-E87 IonicContact NE2-OE2 3.1Å; H41-E87 PolarHBondContact NE2-OE2 3.07Å; R45-E87 WeakPolarHBondContact CG-OE1 3.45Å; R45-E87 IonicContact CZ-OE1 2.94Å; R45-E87 IonicContact CZ-OE2 2.66Å; R45-E87 VanDerWaalsContact CZ-OE2 3.32Å; R45-E87 IonicContact NE-OE1 2.73Å; R45-E87 PolarHBondContact NE-OE1 3.02Å; R45-E87 IonicContact NE-OE2 2.74Å; R45-E87 PolarHBondContact NE-OE2 3.07Å; R45-E87 VanDerWaalsContact NE-OE2 3.16Å; R45-E87 IonicContact NH2-OE1 3.77Å; R45-E87 IonicContact NH2-OE2 3.41Å; R45-E87 PolarHBondContact NH2-OE2 3.23Å; W69-E87 HydrophobicContact CH2-CB 3.94Å; W69-E87 HydrophobicContact CH2-CG 4.06Å; W69-E87 HydrophobicContact CZ2-CB 4.37Å; L83-E87 WeakPolarHBondContact O-CB 3.48Å; L83-E87 PolarHBondContact O-N 2.75Å; E87-F89 VanDerWaalsContact C-N 3.31Å; E87-F89 PolarHBondContact O-N 3.33Å; E87-L90 PolarHBondContact O-N 3.24Å; E87-T91 PolarHBondContact O-N 3.47Å; E87-T91 VanDerWaalsContact O-N 3.13Å; E87-T91 PolarHBondContact O-OG1 3.26Å
88	Q	86.4	Confident	82.6	Confident	118 Å²	118	71.2 Å²	71.2	55%	0.551	36%	0.359	S	S	*	.	H	α-helix	trans	-65.4	-32.7	176.8	-176.5	58.5	90.3	0	0	112.5	L84 V85 L86 T91	L84-Q88 WeakPolarHBondContact O-CB 3.24Å; L84-Q88 PolarHBondContact O-N 2.99Å; V85-Q88 CarbonylContact O-C 3.58Å; V85-Q88 PolarHBondContact O-N 2.99Å; L86-Q88 PolarHBondContact O-N 3.23Å; Q88-T91 PolarHBondContact NE2-OG1 2.84Å; Q88-T91 PolarHBondContact O-OG1 3.24Å
89	F	85.3	Confident	82.4	Confident	51 Å²	51	68.1 Å²	68.1	22%	0.224	35%	0.351	C	S	.	.	H	α-helix	trans	-68.3	-46.3	174.2	178.8	-105.4	0	0	0	111.2	V85 L86 E87 T91 I92 L93 A112 V113 V116	V85-F89 VanDerWaalsContact O-CB 3.29Å; V85-F89 WeakPolarHBondContact O-CB 3.41Å; V85-F89 PolarHBondContact O-N 3.42Å; L86-F89 PolarHBondContact O-N 3.5Å; E87-F89 VanDerWaalsContact C-N 3.31Å; E87-F89 PolarHBondContact O-N 3.33Å; F89-T91 PolarHBondContact O-N 2.93Å; F89-I92 HydrophobicContact CD2-CD1 4.35Å; F89-I92 WeakPolarHBondContact O-CG1 3.39Å; F89-I92 PolarHBondContact O-N 3.06Å; F89-I92 VanDerWaalsContact O-N 3.08Å; F89-L93 HydrophobicContact CE1-CD1 4.2Å; F89-L93 HydrophobicContact CE1-CD2 4.22Å; F89-L93 HydrophobicContact CE1-CG 4.46Å; F89-L93 HydrophobicContact CE2-CD2 4.46Å; F89-L93 HydrophobicContact CZ-CD2 3.98Å; F89-A112 HydrophobicContact CD1-CB 3.93Å; F89-A112 HydrophobicContact CE1-CB 3.88Å; F89-V113 HydrophobicContact CE1-CG2 4.04Å; F89-V113 HydrophobicContact CE2-CG2 4.11Å; F89-V113 HydrophobicContact CZ-CG2 3.62Å; F89-V116 HydrophobicContact CE1-CG2 4.33Å; F89-V116 HydrophobicContact CZ-CG2 4.47Å
90	L	81.8	Confident	82.2	Confident	5 Å²	5	70.9 Å²	70.9	3%	0.026	36%	0.357	C	S	.	.	H	α-helix	trans	-64	-25	178.2	-68.3	173.7	0	0	0	112.8	R45 L86 E87 L93 Q98 V101 A112	R45-L90 VanDerWaalsContact NH2-CD1 3.28Å; L86-L90 HydrophobicContact CD1-CD1 3.89Å; L86-L90 HydrophobicContact CD1-CG 4.01Å; L86-L90 HydrophobicContact CG-CD1 4.18Å; L86-L90 VanDerWaalsContact O-CG 3.31Å; L86-L90 WeakPolarHBondContact O-CG 3.36Å; L86-L90 PolarHBondContact O-N 3.14Å; E87-L90 PolarHBondContact O-N 3.24Å; L90-L93 HydrophobicContact CD2-CD1 3.96Å; L90-Q98 WeakPolarHBondContact O-CG 3.42Å; L90-Q98 PolarHBondContact O-NE2 3.15Å; L90-V101 HydrophobicContact CD2-CB 4.34Å; L90-V101 HydrophobicContact CD2-CG1 3.55Å; L90-A112 HydrophobicContact CD2-CB 4.39Å
91	T	79.3	Confident	81.9	Confident	76 Å²	76	69.4 Å²	69.4	47%	0.466	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-14	174	55.4	0	0	0	0	115.1	E87 Q88 F89	E87-T91 PolarHBondContact O-N 3.47Å; E87-T91 VanDerWaalsContact O-N 3.13Å; E87-T91 PolarHBondContact O-OG1 3.26Å; Q88-T91 PolarHBondContact NE2-OG1 2.84Å; Q88-T91 PolarHBondContact O-OG1 3.24Å; F89-T91 PolarHBondContact O-N 2.93Å
92	I	84	Confident	81.5	Confident	119 Å²	119	67.2 Å²	67.2	61%	0.61	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-1.4	177.8	63	164.4	0	0	0	114.3	F89	F89-I92 HydrophobicContact CD2-CD1 4.35Å; F89-I92 WeakPolarHBondContact O-CG1 3.39Å; F89-I92 PolarHBondContact O-N 3.06Å; F89-I92 VanDerWaalsContact O-N 3.08Å
93	L	82	Confident	81.2	Confident	22 Å²	22	68.5 Å²	68.5	12%	0.115	34%	0.343	C	S	.	.	S	Bend	trans	-75.1	145.9	174.3	-65.3	176.3	0	0	0	111.3	F89 L90 I97 Q98 V101 V116	F89-L93 HydrophobicContact CE1-CD1 4.2Å; F89-L93 HydrophobicContact CE1-CD2 4.22Å; F89-L93 HydrophobicContact CE1-CG 4.46Å; F89-L93 HydrophobicContact CE2-CD2 4.46Å; F89-L93 HydrophobicContact CZ-CD2 3.98Å; L90-L93 HydrophobicContact CD2-CD1 3.96Å; L93-I97 HydrophobicContact CD1-CG2 4.39Å; L93-Q98 HydrophobicContact CB-CB 4.03Å; L93-V101 HydrophobicContact CD1-CB 4.46Å; L93-V101 HydrophobicContact CD1-CG2 4.45Å; L93-V116 HydrophobicContact CD1-CG2 3.64Å; L93-V116 HydrophobicContact CD2-CG1 4.15Å; L93-V116 HydrophobicContact CD2-CG2 3.75Å; L93-V116 HydrophobicContact CG-CG2 4.37Å
94	P	81.6	Confident	80.9	Confident	70 Å²	70	72.2 Å²	72.2	46%	0.455	36%	0.362	S	S	.	.			trans	-55	142.8	169.1	-23.9	34	0	0	0	111.4	E96 I97 Q98	P94-E96 WeakPolarHBondContact CB-OE2 3.45Å; P94-E96 PolarHBondContact O-N 3.23Å; P94-E96 VanDerWaalsContact O-N 3.1Å; P94-I97 HydrophobicContact CG-CD1 4.23Å; P94-I97 CarbonylContact O-C 3.55Å; P94-I97 WeakPolarHBondContact O-CA 3.39Å; P94-I97 PolarHBondContact O-N 3.22Å; P94-Q98 WeakPolarHBondContact O-CB 3.39Å; P94-Q98 PolarHBondContact O-N 2.92Å
95	Q	75.7	Confident	80.4	Confident	137 Å²	137	74.7 Å²	74.7	64%	0.64	37%	0.371	S	S	*	.	H	α-helix	trans	-55.8	-35	-169.3	-166.9	176.3	30.9	0	0	113.6	I97 S99	Q95-I97 VanDerWaalsContact C-N 3.32Å; Q95-I97 PolarHBondContact O-N 3.11Å; Q95-S99 WeakPolarHBondContact O-CB 3.36Å; Q95-S99 PolarHBondContact O-N 3.48Å; Q95-S99 PolarHBondContact O-OG 3.13Å
96	E	75.9	Confident	79.9	Confident	149 Å²	149	71.4 Å²	71.4	70%	0.696	35%	0.351	S	S	*	.	H	α-helix	trans	-70.9	-27.1	179.3	-46	89.3	155	0	0	112.7	P94	P94-E96 WeakPolarHBondContact CB-OE2 3.45Å; P94-E96 PolarHBondContact O-N 3.23Å; P94-E96 VanDerWaalsContact O-N 3.1Å
97	I	77.9	Confident	79.2	Confident	17 Å²	17	78.8 Å²	78.8	9%	0.087	39%	0.386	C	S	.	.	H	α-helix	trans	-88.8	-49.3	174.6	-58.6	-178.1	0	0	0	109.3	L93 P94 Q95 S99 R100 V101 V116 M119	L93-I97 HydrophobicContact CD1-CG2 4.39Å; P94-I97 HydrophobicContact CG-CD1 4.23Å; P94-I97 CarbonylContact O-C 3.55Å; P94-I97 WeakPolarHBondContact O-CA 3.39Å; P94-I97 PolarHBondContact O-N 3.22Å; Q95-I97 VanDerWaalsContact C-N 3.32Å; Q95-I97 PolarHBondContact O-N 3.11Å; I97-S99 PolarHBondContact O-N 3.22Å; I97-R100 PolarHBondContact O-N 3.28Å; I97-R100 VanDerWaalsContact O-N 3.16Å; I97-V101 HydrophobicContact CG2-CG2 3.94Å; I97-V101 WeakPolarHBondContact O-CG2 3.24Å; I97-V101 PolarHBondContact O-N 2.99Å; I97-V116 HydrophobicContact CG2-CG1 4.35Å; I97-V116 HydrophobicContact CG2-CG2 3.88Å; I97-M119 HydrophobicContact CB-CE 4.27Å; I97-M119 HydrophobicContact CG1-CE 4.27Å; I97-M119 HydrophobicContact CG2-CE 4.09Å; I97-M119 HydrophobicContact CG2-SD 4.46Å
98	Q	80.6	Confident	78.9	Confident	42 Å²	42	79.7 Å²	79.7	20%	0.196	40%	0.395	C	S	.	.	H	α-helix	trans	-48.3	-52.9	178.1	176.3	-178.8	69.3	0	0	112.1	L90 L93 P94 R100 V101 Q102	L90-Q98 WeakPolarHBondContact O-CG 3.42Å; L90-Q98 PolarHBondContact O-NE2 3.15Å; L93-Q98 HydrophobicContact CB-CB 4.03Å; P94-Q98 WeakPolarHBondContact O-CB 3.39Å; P94-Q98 PolarHBondContact O-N 2.92Å; Q98-R100 VanDerWaalsContact C-N 3.27Å; Q98-R100 PolarHBondContact O-N 2.8Å; Q98-V101 PolarHBondContact O-N 3Å; Q98-Q102 HydrophobicContact CG-CG 4.43Å; Q98-Q102 VanDerWaalsContact CG-NE2 3.34Å; Q98-Q102 WeakPolarHBondContact O-CB 3.46Å; Q98-Q102 VanDerWaalsContact O-CG 3.24Å; Q98-Q102 WeakPolarHBondContact O-CG 3.45Å; Q98-Q102 PolarHBondContact O-N 3.3Å
99	S	77.8	Confident	78.5	Confident	58 Å²	58	74.8 Å²	74.8	41%	0.406	38%	0.376	S	S	.	.	H	α-helix	trans	-57.5	-42.6	-176.6	-55.6	0	0	0	0	111.8	Q95 I97 Q102 E103	Q95-S99 WeakPolarHBondContact O-CB 3.36Å; Q95-S99 PolarHBondContact O-N 3.48Å; Q95-S99 PolarHBondContact O-OG 3.13Å; I97-S99 PolarHBondContact O-N 3.22Å; S99-Q102 PolarHBondContact O-N 2.66Å; S99-E103 WeakPolarHBondContact O-CG 3.24Å; S99-E103 PolarHBondContact O-N 3.08Å
100	R	76.1	Confident	78.3	Confident	156 Å²	156	80.1 Å²	80.1	59%	0.589	40%	0.402	S	S	*	.	H	α-helix	trans	-82.5	-27.9	-174.8	-165.9	168.2	-177.7	156.7	0.2	113.6	I97 Q98 L104 M119	I97-R100 PolarHBondContact O-N 3.28Å; I97-R100 VanDerWaalsContact O-N 3.16Å; Q98-R100 VanDerWaalsContact C-N 3.27Å; Q98-R100 PolarHBondContact O-N 2.8Å; R100-L104 WeakPolarHBondContact O-CG 3.42Å; R100-M119 HydrophobicContact CB-CE 3.94Å; R100-M119 HydrophobicContact CB-SD 4.12Å; R100-M119 HydrophobicContact CG-CE 4.18Å; R100-M119 HydrophobicContact CG-SD 4.08Å
101	V	79.7	Confident	78.4	Confident	0 Å²	0	83.7 Å²	83.7	0%	0	42%	0.418	C	S	.	.	H	α-helix	trans	-74.1	-34.6	169	177.9	0	0	0	0	110.3	L90 L93 I97 Q98 L104 H105 P106 L115 V116 M119	L90-V101 HydrophobicContact CD2-CB 4.34Å; L90-V101 HydrophobicContact CD2-CG1 3.55Å; L93-V101 HydrophobicContact CD1-CB 4.46Å; L93-V101 HydrophobicContact CD1-CG2 4.45Å; I97-V101 HydrophobicContact CG2-CG2 3.94Å; I97-V101 WeakPolarHBondContact O-CG2 3.24Å; I97-V101 PolarHBondContact O-N 2.99Å; Q98-V101 PolarHBondContact O-N 3Å; V101-L104 PolarHBondContact O-N 2.78Å; V101-H105 PolarHBondContact O-N 3.41Å; V101-P106 HydrophobicContact CG1-CG 4.06Å; V101-P106 VanDerWaalsContact O-CD 3.23Å; V101-P106 WeakPolarHBondContact O-CD 3.45Å; V101-L115 HydrophobicContact CG1-CD1 4.43Å; V101-L115 HydrophobicContact CG2-CB 4.42Å; V101-V116 HydrophobicContact CG2-CG2 3.83Å; V101-M119 HydrophobicContact CG2-SD 3.95Å
102	Q	76.3	Confident	78.6	Confident	59 Å²	59	80.1 Å²	80.1	28%	0.276	40%	0.396	S	S	.	.	H	α-helix	trans	-67.5	-34.6	173.2	-73.3	178.8	7.7	0	0	112.7	Q98 S99 L104 H105	Q98-Q102 HydrophobicContact CG-CG 4.43Å; Q98-Q102 VanDerWaalsContact CG-NE2 3.34Å; Q98-Q102 WeakPolarHBondContact O-CB 3.46Å; Q98-Q102 VanDerWaalsContact O-CG 3.24Å; Q98-Q102 WeakPolarHBondContact O-CG 3.45Å; Q98-Q102 PolarHBondContact O-N 3.3Å; S99-Q102 PolarHBondContact O-N 2.66Å; Q102-L104 PolarHBondContact O-N 3.03Å; Q102-H105 PolarHBondContact O-CE1 2.99Å; Q102-H105 PolarHBondContact O-N 3.48Å; Q102-H105 PolarHBondContact O-ND1 3.43Å
103	E	78.3	Confident	78.7	Confident	138 Å²	138	77.1 Å²	77.1	65%	0.645	38%	0.384	S	S	*	.	H	α-helix	trans	-60	-28.8	170.7	-77.3	170.7	170.6	0	0	113.2	S99 H105	S99-E103 WeakPolarHBondContact O-CG 3.24Å; S99-E103 PolarHBondContact O-N 3.08Å; E103-H105 PolarHBondContact O-CE1 2.95Å; E103-H105 PolarHBondContact O-ND1 3.06Å
104	L	77.4	Confident	79	Confident	99 Å²	99	79.7 Å²	79.7	52%	0.518	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-3	-178	-65.5	173.9	0	0	0	114.2	R100 V101 Q102 L115	R100-L104 WeakPolarHBondContact O-CG 3.42Å; V101-L104 PolarHBondContact O-N 2.78Å; Q102-L104 PolarHBondContact O-N 3.03Å; L104-L115 HydrophobicContact CB-CD1 3.93Å; L104-L115 HydrophobicContact CD1-CD1 4.14Å; L104-L115 HydrophobicContact CD1-CD2 3.89Å
105	H	74.5	Confident	79.3	Confident	130 Å²	130	78.4 Å²	78.4	60%	0.602	39%	0.389	S	S	*	.			trans	46.7	53	171	-59.3	78.5	0	0	0	115.5	V101 Q102 E103 E107	V101-H105 PolarHBondContact O-N 3.41Å; Q102-H105 PolarHBondContact O-CE1 2.99Å; Q102-H105 PolarHBondContact O-N 3.48Å; Q102-H105 PolarHBondContact O-ND1 3.43Å; E103-H105 PolarHBondContact O-CE1 2.95Å; E103-H105 PolarHBondContact O-ND1 3.06Å; H105-E107 PolarHBondContact O-N 3.21Å
106	P	76.4	Confident	79.8	Confident	12 Å²	12	72.3 Å²	72.3	8%	0.078	36%	0.361	C	S	.	.			trans	-58.7	137.2	179.2	25.8	-35.4	0	0	0	111.8	L86 V101 E111 A112 L115	L86-P106 HydrophobicContact CD1-CG 4.42Å; L86-P106 WeakPolarHBondContact CD2-O 3.38Å; V101-P106 HydrophobicContact CG1-CG 4.06Å; V101-P106 VanDerWaalsContact O-CD 3.23Å; V101-P106 WeakPolarHBondContact O-CD 3.45Å; P106-E111 WeakPolarHBondContact CA-OE2 3.28Å; P106-E111 HydrophobicContact CB-CB 4.15Å; P106-E111 HydrophobicContact CB-CG 3.88Å; P106-A112 HydrophobicContact CB-CB 4.06Å; P106-A112 HydrophobicContact CG-CB 3.86Å; P106-L115 HydrophobicContact CB-CD1 4.2Å; P106-L115 HydrophobicContact CG-CD1 4.45Å
107	E	72.1	Confident	80.4	Confident	167 Å²	167	70.3 Å²	70.3	78%	0.78	35%	0.352	S	S	*	.	S	Bend	trans	-86.8	-15.1	179.9	-63.2	-167.3	165.7	0	0	112.6	H105 E111	H105-E107 PolarHBondContact O-N 3.21Å; E107-E111 PolarHBondContact N-OE2 3.36Å
108	S	78.3	Confident	80.9	Confident	49 Å²	49	73.3 Å²	73.3	34%	0.343	37%	0.368	S	S	.	.	S	Bend	trans	-137.8	158.1	-176.7	69.7	0	0	0	0	113.8	E110 E111 A112	S108-E110 VanDerWaalsContact C-N 3.33Å; S108-E110 PolarHBondContact O-N 3.47Å; S108-E111 PolarHBondContact O-N 2.83Å; S108-E111 VanDerWaalsContact OG-CB 3.23Å; S108-E111 WeakPolarHBondContact OG-CB 3.45Å; S108-E111 PolarHBondContact OG-N 3.33Å; S108-A112 PolarHBondContact O-N 2.92Å
109	G	77.8	Confident	80.9	Confident	14 Å²	14	72.8 Å²	72.8	14%	0.144	37%	0.366	C	S	.	.	H	α-helix	trans	-61.9	-37.5	173.4	0	0	0	0	0	113.3	A112 V113	G109-A112 PolarHBondContact O-N 3.17Å; G109-V113 WeakPolarHBondContact O-CG2 3.39Å; G109-V113 PolarHBondContact O-N 3.27Å
110	E	81.2	Confident	81.2	Confident	164 Å²	164	75.3 Å²	75.3	77%	0.766	37%	0.371	S	S	*	.	H	α-helix	trans	-66.2	-42.1	178.3	-60.9	-168.7	153.7	0	0	111.9	S108 V113 T114	S108-E110 VanDerWaalsContact C-N 3.33Å; S108-E110 PolarHBondContact O-N 3.47Å; E110-V113 PolarHBondContact O-N 2.95Å; E110-T114 PolarHBondContact O-N 3.16Å
111	E	83.1	Confident	81.7	Confident	80 Å²	80	73.2 Å²	73.2	37%	0.374	36%	0.364	S	S	.	.	H	α-helix	trans	-64.3	-43.9	174.6	-175.9	177.5	-149.6	0	0	111.9	P106 E107 S108 V113 T114 L115	P106-E111 WeakPolarHBondContact CA-OE2 3.28Å; P106-E111 HydrophobicContact CB-CB 4.15Å; P106-E111 HydrophobicContact CB-CG 3.88Å; E107-E111 PolarHBondContact N-OE2 3.36Å; S108-E111 PolarHBondContact O-N 2.83Å; S108-E111 VanDerWaalsContact OG-CB 3.23Å; S108-E111 WeakPolarHBondContact OG-CB 3.45Å; S108-E111 PolarHBondContact OG-N 3.33Å; E111-V113 PolarHBondContact O-N 3.3Å; E111-T114 PolarHBondContact O-N 3.02Å; E111-T114 PolarHBondContact O-OG1 2.6Å; E111-L115 HydrophobicContact CG-CD1 4.44Å; E111-L115 WeakPolarHBondContact O-CG 3.49Å; E111-L115 PolarHBondContact O-N 3.15Å
112	A	83.7	Confident	81.8	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-60.4	-35.4	174.6	0	0	0	0	0	112.3	L86 F89 L90 P106 S108 G109 V116	L86-A112 HydrophobicContact CD1-CB 3.52Å; F89-A112 HydrophobicContact CD1-CB 3.93Å; F89-A112 HydrophobicContact CE1-CB 3.88Å; L90-A112 HydrophobicContact CD2-CB 4.39Å; P106-A112 HydrophobicContact CB-CB 4.06Å; P106-A112 HydrophobicContact CG-CB 3.86Å; S108-A112 PolarHBondContact O-N 2.92Å; G109-A112 PolarHBondContact O-N 3.17Å; A112-V116 WeakPolarHBondContact O-CG2 3.35Å; A112-V116 PolarHBondContact O-N 3.22Å
113	V	86.5	Confident	81.9	Confident	57 Å²	57	79.6 Å²	79.6	35%	0.345	40%	0.396	S	S	.	.	H	α-helix	trans	-67.7	-46.9	174	168.8	0	0	0	0	111.6	F89 G109 E110 E111 L115 V116 E117	F89-V113 HydrophobicContact CE1-CG2 4.04Å; F89-V113 HydrophobicContact CE2-CG2 4.11Å; F89-V113 HydrophobicContact CZ-CG2 3.62Å; G109-V113 WeakPolarHBondContact O-CG2 3.39Å; G109-V113 PolarHBondContact O-N 3.27Å; E110-V113 PolarHBondContact O-N 2.95Å; E111-V113 PolarHBondContact O-N 3.3Å; V113-L115 PolarHBondContact O-N 3.36Å; V113-V116 PolarHBondContact O-N 3.31Å; V113-V116 VanDerWaalsContact O-N 3.15Å; V113-E117 HydrophobicContact CG1-CG 4.39Å; V113-E117 PolarHBondContact O-N 3.3Å
114	T	88	Confident	81.9	Confident	75 Å²	75	74.7 Å²	74.7	46%	0.46	38%	0.382	S	S	.	.	H	α-helix	trans	-63.9	-39.6	-179.2	57.3	0	0	0	0	112.4	E110 E111 V116 E117 D118	E110-T114 PolarHBondContact O-N 3.16Å; E111-T114 PolarHBondContact O-N 3.02Å; E111-T114 PolarHBondContact O-OG1 2.6Å; T114-V116 VanDerWaalsContact C-N 3.33Å; T114-V116 PolarHBondContact O-N 2.98Å; T114-E117 PolarHBondContact O-N 3.18Å; T114-D118 WeakPolarHBondContact O-CB 3.47Å; T114-D118 PolarHBondContact O-N 2.87Å
115	L	87.4	Confident	82	Confident	43 Å²	43	76.5 Å²	76.5	23%	0.225	38%	0.382	C	S	.	.	H	α-helix	trans	-59.5	-41.8	173	-69.3	177	0	0	0	112.3	V101 L104 P106 E111 V113 M119	V101-L115 HydrophobicContact CG1-CD1 4.43Å; V101-L115 HydrophobicContact CG2-CB 4.42Å; L104-L115 HydrophobicContact CB-CD1 3.93Å; L104-L115 HydrophobicContact CD1-CD1 4.14Å; L104-L115 HydrophobicContact CD1-CD2 3.89Å; P106-L115 HydrophobicContact CB-CD1 4.2Å; P106-L115 HydrophobicContact CG-CD1 4.45Å; E111-L115 HydrophobicContact CG-CD1 4.44Å; E111-L115 WeakPolarHBondContact O-CG 3.49Å; E111-L115 PolarHBondContact O-N 3.15Å; V113-L115 PolarHBondContact O-N 3.36Å; L115-M119 WeakPolarHBondContact O-CB 3.43Å; L115-M119 WeakPolarHBondContact O-CG 3.38Å; L115-M119 PolarHBondContact O-N 2.97Å
116	V	87.1	Confident	81.9	Confident	9 Å²	9	75.3 Å²	75.3	6%	0.055	38%	0.379	C	S	.	.	H	α-helix	trans	-66.3	-43.3	176.7	169.4	0	0	0	0	111.6	F89 L93 I97 V101 A112 V113 T114 Q120	F89-V116 HydrophobicContact CE1-CG2 4.33Å; F89-V116 HydrophobicContact CZ-CG2 4.47Å; L93-V116 HydrophobicContact CD1-CG2 3.64Å; L93-V116 HydrophobicContact CD2-CG1 4.15Å; L93-V116 HydrophobicContact CD2-CG2 3.75Å; L93-V116 HydrophobicContact CG-CG2 4.37Å; I97-V116 HydrophobicContact CG2-CG1 4.35Å; I97-V116 HydrophobicContact CG2-CG2 3.88Å; V101-V116 HydrophobicContact CG2-CG2 3.83Å; A112-V116 WeakPolarHBondContact O-CG2 3.35Å; A112-V116 PolarHBondContact O-N 3.22Å; V113-V116 PolarHBondContact O-N 3.31Å; V113-V116 VanDerWaalsContact O-N 3.15Å; T114-V116 VanDerWaalsContact C-N 3.33Å; T114-V116 PolarHBondContact O-N 2.98Å; V116-Q120 VanDerWaalsContact CG1-NE2 3.28Å; V116-Q120 VanDerWaalsContact O-CG 3.29Å; V116-Q120 WeakPolarHBondContact O-CG 3.5Å; V116-Q120 PolarHBondContact O-N 3.09Å
117	E	88.3	Confident	81.8	Confident	107 Å²	107	83.7 Å²	83.7	50%	0.5	41%	0.41	S	S	.	.	H	α-helix	trans	-65.6	-41.6	178.1	-71.6	-163.8	161.8	0	0	112.6	V113 T114 Q120 R121	V113-E117 HydrophobicContact CG1-CG 4.39Å; V113-E117 PolarHBondContact O-N 3.3Å; T114-E117 PolarHBondContact O-N 3.18Å; E117-Q120 PolarHBondContact O-N 3.36Å; E117-R121 WeakPolarHBondContact O-CB 3.35Å; E117-R121 PolarHBondContact O-N 3.27Å
118	D	87.8	Confident	81.7	Confident	81 Å²	81	81.9 Å²	81.9	43%	0.433	40%	0.401	S	S	.	.	H	α-helix	trans	-65.8	-42.8	177.2	-84.2	29.5	0	0	0	111.4	T114 Q120 R121 E122	T114-D118 WeakPolarHBondContact O-CB 3.47Å; T114-D118 PolarHBondContact O-N 2.87Å; D118-Q120 PolarHBondContact O-N 3.29Å; D118-R121 WeakPolarHBondContact O-CB 3.44Å; D118-R121 PolarHBondContact O-N 3.11Å; D118-R121 VanDerWaalsContact O-N 3.15Å; D118-R121 IonicContact OD1-CZ 3.75Å; D118-R121 IonicContact OD1-NH1 3.31Å; D118-R121 PolarHBondContact OD1-NH1 2.94Å; D118-R121 IonicContact OD1-NH2 3.5Å; D118-R121 PolarHBondContact OD1-NH2 2.79Å; D118-R121 IonicContact OD2-NH1 3.97Å; D118-E122 PolarHBondContact O-N 2.82Å
119	M	81.4	Confident	81.2	Confident	31 Å²	31	84.7 Å²	84.7	15%	0.153	41%	0.409	C	S	.	.	H	α-helix	trans	-60.4	-41.9	172	-78.4	-175.3	53.8	0	0	112.8	I97 R100 V101 L115 R121 E122 L123	I97-M119 HydrophobicContact CB-CE 4.27Å; I97-M119 HydrophobicContact CG1-CE 4.27Å; I97-M119 HydrophobicContact CG2-CE 4.09Å; I97-M119 HydrophobicContact CG2-SD 4.46Å; R100-M119 HydrophobicContact CB-CE 3.94Å; R100-M119 HydrophobicContact CB-SD 4.12Å; R100-M119 HydrophobicContact CG-CE 4.18Å; R100-M119 HydrophobicContact CG-SD 4.08Å; V101-M119 HydrophobicContact CG2-SD 3.95Å; L115-M119 WeakPolarHBondContact O-CB 3.43Å; L115-M119 WeakPolarHBondContact O-CG 3.38Å; L115-M119 PolarHBondContact O-N 2.97Å; M119-R121 VanDerWaalsContact C-N 3.29Å; M119-R121 PolarHBondContact O-N 2.83Å; M119-E122 PolarHBondContact O-N 3.12Å; M119-L123 WeakPolarHBondContact O-CG 3.2Å; M119-L123 PolarHBondContact O-N 2.96Å
120	Q	84.2	Confident	80.5	Confident	110 Å²	110	89 Å²	89	51%	0.514	43%	0.432	S	S	.	.	H	α-helix	trans	-64.1	-35.6	174.8	-73.8	178.8	34.2	0	0	111.9	V116 E117 D118 L123 G124	V116-Q120 VanDerWaalsContact CG1-NE2 3.28Å; V116-Q120 VanDerWaalsContact O-CG 3.29Å; V116-Q120 WeakPolarHBondContact O-CG 3.5Å; V116-Q120 PolarHBondContact O-N 3.09Å; E117-Q120 PolarHBondContact O-N 3.36Å; D118-Q120 PolarHBondContact O-N 3.29Å; Q120-L123 PolarHBondContact O-N 2.97Å; Q120-G124 PolarHBondContact O-N 3.31Å
121	R	85.8	Confident	79.4	Confident	113 Å²	113	85.1 Å²	85.1	43%	0.426	42%	0.42	S	S	.	.	H	α-helix	trans	-65.6	-41.7	177	-152.7	178.5	-55	119.6	10.7	111.9	E117 D118 M119 G124 R125	E117-R121 WeakPolarHBondContact O-CB 3.35Å; E117-R121 PolarHBondContact O-N 3.27Å; D118-R121 WeakPolarHBondContact O-CB 3.44Å; D118-R121 PolarHBondContact O-N 3.11Å; D118-R121 VanDerWaalsContact O-N 3.15Å; D118-R121 IonicContact OD1-CZ 3.75Å; D118-R121 IonicContact OD1-NH1 3.31Å; D118-R121 PolarHBondContact OD1-NH1 2.94Å; D118-R121 IonicContact OD1-NH2 3.5Å; D118-R121 PolarHBondContact OD1-NH2 2.79Å; D118-R121 IonicContact OD2-NH1 3.97Å; M119-R121 VanDerWaalsContact C-N 3.29Å; M119-R121 PolarHBondContact O-N 2.83Å; R121-G124 PolarHBondContact O-N 3.27Å; R121-R125 WeakPolarHBondContact O-CG 3.41Å; R121-R125 PolarHBondContact O-N 3.49Å
122	E	82.8	Confident	78.1	Confident	98 Å²	98	86.7 Å²	86.7	46%	0.458	43%	0.431	S	S	.	.	H	α-helix	trans	-67.5	-43.1	173.7	-71.1	-49.7	121.7	0	0	112.8	D118 M119 G124 R125 L126	D118-E122 PolarHBondContact O-N 2.82Å; M119-E122 PolarHBondContact O-N 3.12Å; E122-G124 PolarHBondContact O-N 3.14Å; E122-R125 WeakPolarHBondContact O-CB 3.48Å; E122-R125 PolarHBondContact O-N 3.41Å; E122-R125 VanDerWaalsContact O-N 3.15Å; E122-R125 WeakPolarHBondContact OE1-CD 3.49Å; E122-R125 IonicContact OE1-CZ 3.02Å; E122-R125 IonicContact OE1-NE 3.61Å; E122-R125 IonicContact OE1-NH1 3.6Å; E122-R125 PolarHBondContact OE1-NH1 2.97Å; E122-L126 WeakPolarHBondContact O-CB 3.44Å; E122-L126 PolarHBondContact O-N 3.07Å
123	L	77.1	Confident	76.6	Confident	95 Å²	95	93.7 Å²	93.7	50%	0.497	46%	0.463	S	S	.	.	H	α-helix	trans	-61.6	-33	173.6	-70.5	171.9	0	0	0	112.2	M119 Q120 R127	M119-L123 WeakPolarHBondContact O-CG 3.2Å; M119-L123 PolarHBondContact O-N 2.96Å; Q120-L123 PolarHBondContact O-N 2.97Å; L123-R127 VanDerWaalsContact O-CB 3.26Å; L123-R127 WeakPolarHBondContact O-CB 3.37Å; L123-R127 PolarHBondContact O-N 3.49Å
124	G	79.7	Confident	74.6	Confident	34 Å²	34	94.3 Å²	94.3	35%	0.351	48%	0.481	S	S	.	.	H	α-helix	trans	-64.1	-49.5	170.4	0	0	0	0	0	112.7	Q120 R121 E122 L126 R127 Q128	Q120-G124 PolarHBondContact O-N 3.31Å; R121-G124 PolarHBondContact O-N 3.27Å; E122-G124 PolarHBondContact O-N 3.14Å; G124-L126 PolarHBondContact O-N 2.83Å; G124-R127 PolarHBondContact O-N 2.82Å; G124-Q128 WeakPolarHBondContact O-CB 3.27Å; G124-Q128 PolarHBondContact O-N 2.81Å
125	R	79.8	Confident	72.6	Confident	138 Å²	138	102 Å²	102	52%	0.521	50%	0.501	S	S	.	.	H	α-helix	trans	-57.4	-48.2	175.8	-73.9	165.4	171	-171	-3.6	111.7	R121 E122 Q128 Q129	R121-R125 WeakPolarHBondContact O-CG 3.41Å; R121-R125 PolarHBondContact O-N 3.49Å; E122-R125 WeakPolarHBondContact O-CB 3.48Å; E122-R125 PolarHBondContact O-N 3.41Å; E122-R125 VanDerWaalsContact O-N 3.15Å; E122-R125 WeakPolarHBondContact OE1-CD 3.49Å; E122-R125 IonicContact OE1-CZ 3.02Å; E122-R125 IonicContact OE1-NE 3.61Å; E122-R125 IonicContact OE1-NH1 3.6Å; E122-R125 PolarHBondContact OE1-NH1 2.97Å; R125-Q128 PolarHBondContact O-N 3.47Å; R125-Q129 WeakPolarHBondContact O-CG 3.36Å; R125-Q129 PolarHBondContact O-N 3.18Å
126	L	72.5	Confident	70.6	Confident	104 Å²	104	102.8 Å²	102.8	55%	0.545	52%	0.52	S	S	.	.	H	α-helix	trans	-64.1	-44	-179.2	-149.6	75.9	0	0	0	111.5	E122 G124 Q128 Q129 V130	E122-L126 WeakPolarHBondContact O-CB 3.44Å; E122-L126 PolarHBondContact O-N 3.07Å; G124-L126 PolarHBondContact O-N 2.83Å; L126-Q128 VanDerWaalsContact C-N 3.29Å; L126-Q128 PolarHBondContact O-N 3.24Å; L126-Q129 PolarHBondContact O-N 3.39Å; L126-V130 WeakPolarHBondContact O-CG2 3.39Å; L126-V130 PolarHBondContact O-N 3.32Å
127	R	72.9	Confident	68	Low	189 Å²	189	108 Å²	108	71%	0.713	55%	0.553	S	S	*	*	H	α-helix	trans	-58.8	-41.1	173.6	-173.4	-178.3	-59.6	-142.9	-0.5	111.8	L123 G124 V130 T131	L123-R127 VanDerWaalsContact O-CB 3.26Å; L123-R127 WeakPolarHBondContact O-CB 3.37Å; L123-R127 PolarHBondContact O-N 3.49Å; G124-R127 PolarHBondContact O-N 2.82Å; R127-V130 PolarHBondContact O-N 3.09Å; R127-T131 PolarHBondContact O-N 3Å; R127-T131 PolarHBondContact O-OG1 3.04Å
128	Q	70.9	Confident	65.9	Low	128 Å²	128	112.6 Å²	112.6	60%	0.598	57%	0.574	S	S	*	*	H	α-helix	trans	-71.5	-34.9	-179.7	-162.3	163.8	16.9	0	0	112.5	G124 R125 L126 T131 N132	G124-Q128 WeakPolarHBondContact O-CB 3.27Å; G124-Q128 PolarHBondContact O-N 2.81Å; R125-Q128 PolarHBondContact O-N 3.47Å; L126-Q128 VanDerWaalsContact C-N 3.29Å; L126-Q128 PolarHBondContact O-N 3.24Å; Q128-T131 WeakPolarHBondContact CA-OG1 3.27Å; Q128-T131 PolarHBondContact O-N 2.94Å; Q128-T131 PolarHBondContact O-OG1 3.12Å; Q128-N132 PolarHBondContact O-N 2.68Å; Q128-N132 VanDerWaalsContact O-N 3.08Å; Q128-N132 PolarHBondContact O-ND2 3.07Å; Q128-N132 PolarHBondContact O-OD1 3.38Å
129	Q	67.6	Low	63.3	Low	108 Å²	108	113.8 Å²	113.8	51%	0.505	58%	0.584	S	S	.	*	H	α-helix	trans	-61.1	-44.9	169.7	-72	173.4	0	0	0	111.5	R125 L126 N132 H133	R125-Q129 WeakPolarHBondContact O-CG 3.36Å; R125-Q129 PolarHBondContact O-N 3.18Å; L126-Q129 PolarHBondContact O-N 3.39Å; Q129-N132 PolarHBondContact O-N 3.29Å; Q129-H133 PolarHBondContact O-N 3.28Å; Q129-H133 PolarHBondContact O-ND1 3.02Å
130	V	62.2	Low	61.5	Low	104 Å²	104	119.7 Å²	119.7	63%	0.63	62%	0.615	S	S	*	*	H	α-helix	trans	-61.1	-44.6	176	172.7	0	0	0	0	111.4	L126 R127 N132 H133 G134	L126-V130 WeakPolarHBondContact O-CG2 3.39Å; L126-V130 PolarHBondContact O-N 3.32Å; R127-V130 PolarHBondContact O-N 3.09Å; V130-N132 PolarHBondContact O-N 3.05Å; V130-H133 PolarHBondContact O-N 3.13Å; V130-G134 PolarHBondContact O-N 2.79Å
131	T	58.5	Low	58.9	Low	84 Å²	84	122 Å²	122	52%	0.515	63%	0.63	S	S	.	*	H	α-helix	trans	-65.8	-24.1	177	52.6	0	0	0	0	114.1	R127 Q128	R127-T131 PolarHBondContact O-N 3Å; R127-T131 PolarHBondContact O-OG1 3.04Å; Q128-T131 WeakPolarHBondContact CA-OG1 3.27Å; Q128-T131 PolarHBondContact O-N 2.94Å; Q128-T131 PolarHBondContact O-OG1 3.12Å
132	N	55.4	Low	56.4	Low	112 Å²	112	124.9 Å²	124.9	60%	0.599	65%	0.649	S	S	*	*	H	α-helix	trans	-80.8	-36.9	176.5	-71.1	-9.6	0	0	0	112	Q128 Q129 V130	Q128-N132 PolarHBondContact O-N 2.68Å; Q128-N132 VanDerWaalsContact O-N 3.08Å; Q128-N132 PolarHBondContact O-ND2 3.07Å; Q128-N132 PolarHBondContact O-OD1 3.38Å; Q129-N132 PolarHBondContact O-N 3.29Å; V130-N132 PolarHBondContact O-N 3.05Å
133	H	53.3	Low	54.2	Low	148 Å²	148	129.2 Å²	129.2	69%	0.685	67%	0.669	S	S	*	*	H	α-helix	trans	-71.8	-33.8	173.5	-70.2	83.7	0	0	0	112	Q129 V130 R135 G136	Q129-H133 PolarHBondContact O-N 3.28Å; Q129-H133 PolarHBondContact O-ND1 3.02Å; V130-H133 PolarHBondContact O-N 3.13Å; H133-R135 PolarHBondContact O-N 3.14Å; H133-G136 PolarHBondContact O-N 3.26Å
134	G	45	Very low	52.1	Low	70 Å²	70	130.6 Å²	130.6	72%	0.722	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	14.9	175.6	0	0	0	0	0	116.4	V130	V130-G134 PolarHBondContact O-N 2.79Å
135	R	45.7	Very low	49.7	Very low	235 Å²	235	136.5 Å²	136.5	89%	0.887	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	3.6	172.7	-97.3	-174.6	-170.3	-111.5	0.7	114.4	H133	H133-R135 PolarHBondContact O-N 3.14Å
136	G	44.9	Very low	47.7	Very low	60 Å²	60	135.7 Å²	135.7	62%	0.619	72%	0.719	S	S	*	*	S	Bend	trans	-156.5	33.8	-166.2	0	0	0	0	0	118.9	H133	H133-G136 PolarHBondContact O-N 3.26Å
137	T	33.2	Very low	45.5	Very low	120 Å²	120	138.9 Å²	138.9	74%	0.736	74%	0.735	S	S	*	*			trans	-163.9	127.2	158.9	10.2	0	0	0	0	112.3	V139	T137-V139 HydrophobicContact CG2-CG2 4.01Å
138	E	43.8	Very low	43.4	Very low	203 Å²	203	138.1 Å²	138.1	95%	0.949	74%	0.74	S	S	*	*			trans	-81.4	114.7	151	-73.6	-175.3	128.3	0	0	107.6
139	V	32.8	Very low	41.3	Very low	105 Å²	105	137.9 Å²	137.9	64%	0.636	75%	0.747	S	S	*	*			trans	-132.4	119.7	164	-179.8	0	0	0	0	107.9	T137 L141	T137-V139 HydrophobicContact CG2-CG2 4.01Å; V139-L141 HydrophobicContact CG1-CG 4.43Å; V139-L141 PolarHBondContact O-N 3.17Å
140	L	43.2	Very low	39.3	Very low	156 Å²	156	137.2 Å²	137.2	82%	0.817	76%	0.76	S	S	*	*			trans	-65.4	123.2	172.4	-179.6	72.9	0	0	0	109.5
141	L	30	Very low	37.6	Very low	157 Å²	157	142.6 Å²	142.6	82%	0.822	77%	0.769	S	S	*	*			trans	-135.2	136.8	166.6	-71.3	176.5	0	0	0	109	V139	V139-L141 HydrophobicContact CG1-CG 4.43Å; V139-L141 PolarHBondContact O-N 3.17Å
142	E	32.6	Very low	36.1	Very low	175 Å²	175	146.4 Å²	146.4	82%	0.818	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-90	171.2	-170.5	-57	-169	131.3	0	0	113
143	E	37.6	Very low	34.6	Very low	189 Å²	189	146.6 Å²	146.6	88%	0.883	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-66.8	139	170.6	-63.3	-172.6	122.7	0	0	112
144	P	33.3	Very low	34	Very low	124 Å²	124	144.9 Å²	144.9	81%	0.805	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-103	124.3	157.9	3.7	17.1	0	0	0	111.2
145	L	28.6	Very low	33	Very low	158 Å²	158	146.1 Å²	146.1	83%	0.827	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-75.4	166.6	163.1	-86.2	171.5	0	0	0	110.8
146	P	37.4	Very low	31.9	Very low	120 Å²	120	142.6 Å²	142.6	78%	0.779	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-79.6	160.9	-153.3	31.7	-37.4	0	0	0	115.2
147	L	26.2	Very low	30.9	Very low	171 Å²	171	147.3 Å²	147.3	90%	0.895	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-99	135.7	172.4	-113.3	77	0	0	0	112.1
148	E	28.9	Very low	30.5	Very low	173 Å²	173	148.1 Å²	148.1	81%	0.808	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-101.9	154.9	163.1	-79.2	-157.9	128.3	0	0	112.1
149	T	27.1	Very low	29.8	Very low	123 Å²	123	144.7 Å²	144.7	76%	0.755	77%	0.769	S	S	*	*			trans	47	101.8	152.4	57.4	0	0	0	0	120.6
150	A	26.3	Very low	30.1	Very low	94 Å²	94	145.5 Å²	145.5	78%	0.777	78%	0.776	S	S	*	*				26.5	130.5	126.7	0	0	0	0	0	121.4
151	R	26.6	Very low	29.3	Very low	217 Å²	217	145.4 Å²	145.4	82%	0.819	77%	0.773	S	S	*	*				-170.9	145.8	110.9	-102.9	170.3	-170	-168.3	4.7	114.7
152	E	25.5	Very low	29.2	Very low	164 Å²	164	145.8 Å²	145.8	77%	0.766	77%	0.771	S	S	*	*			trans	49.2	127.5	140.1	-64.8	160.6	155.9	0	0	122
153	S	24.9	Very low	28.9	Very low	116 Å²	116	143.2 Å²	143.2	81%	0.811	77%	0.768	S	S	*	*			trans	-77.7	-176	162.1	-42.1	0	0	0	0	110.6
154	P	41.4	Very low	28.4	Very low	113 Å²	113	142.5 Å²	142.5	73%	0.734	76%	0.764	S	S	*	*			cis	-150.1	-171.4	14.6	44.1	-22.2	0	0	0	118.8
155	S	23	Very low	28	Very low	96 Å²	96	147 Å²	147	67%	0.671	77%	0.765	S	S	*	*			trans	91.7	124.2	137.5	-75.8	0	0	0	0	124.3
156	F	22.9	Very low	28	Very low	161 Å²	161	144.7 Å²	144.7	71%	0.706	76%	0.762	S	S	*	*				98.6	109.4	126.6	-92.3	-138.4	0	0	0	122.8
157	K	24.6	Very low	28.4	Very low	159 Å²	159	145 Å²	145	69%	0.691	76%	0.764	S	S	*	*				64.5	146.4	125.7	-62.4	-166.3	177.2	-174.6	0	120
158	L	24.9	Very low	28.5	Very low	136 Å²	136	140 Å²	140	71%	0.712	76%	0.755	S	S	*	*			cis	-161.7	161.6	-6.6	-111.9	173.8	0	0	0	110.1
159	E	27.5	Very low	29.1	Very low	132 Å²	132	137.7 Å²	137.7	62%	0.617	76%	0.755	S	S	*	*			trans	9.1	155.3	139.5	-72.2	-65	110.6	0	0	121.5
160	P	40.3	Very low	29.4	Very low	121 Å²	121	142.1 Å²	142.1	79%	0.786	76%	0.757	S	S	*	*			cis	-144.9	-178.3	35.4	42.6	-22.4	0	0	0	119.8
161	M	25.2	Very low	29.4	Very low	154 Å²	154	143.5 Å²	143.5	76%	0.759	75%	0.751	S	S	*	*			trans	-57.9	175.2	165.4	-58.2	-173.7	175.2	0	0	113.7
162	E	29.4	Very low	29.6	Very low	165 Å²	165	139.5 Å²	139.5	77%	0.771	74%	0.741	S	S	*	*			cis	-158.9	160.2	38	-59.8	-176.4	110.2	0	0	115.4
163	T	26	Very low	30	Very low	122 Å²	122	138.5 Å²	138.5	75%	0.748	74%	0.737	S	S	*	*			trans	58.9	155.3	145.8	55.3	0	0	0	0	121
164	E	26.1	Very low	30.3	Very low	173 Å²	173	139.8 Å²	139.8	81%	0.808	73%	0.734	S	S	*	*			cis	-160.1	-178.6	4.3	-127.9	-67.5	120.9	0	0	110.5
165	R	26.1	Very low	29.6	Very low	219 Å²	219	142.3 Å²	142.3	83%	0.826	74%	0.741	S	S	*	*			trans	103.3	117.2	153.5	-167.5	174.8	-74.2	-158.4	-3.5	120.3
166	S	28.8	Very low	29.7	Very low	109 Å²	109	141.1 Å²	141.1	76%	0.762	74%	0.743	S	S	*	*			trans	-117	170.5	152.7	-63.6	0	0	0	0	110.3
167	P	45.3	Very low	30.5	Very low	126 Å²	126	139.5 Å²	139.5	82%	0.818	75%	0.749	S	S	*	*				-148.4	172.4	85.7	35.6	-15.1	0	0	0	116.6
168	G	27.4	Very low	30.5	Very low	68 Å²	68	137.3 Å²	137.3	70%	0.701	75%	0.754	S	S	*	*			trans	-88.8	-160.7	-179.2	0	0	0	0	0	116.1
169	P	42.4	Very low	31.1	Very low	124 Å²	124	136.8 Å²	136.8	81%	0.805	76%	0.758	S	S	*	*				-159.7	155.9	92.9	41.6	-22.4	0	0	0	120.5
170	R	32.8	Very low	31.2	Very low	215 Å²	215	139.3 Å²	139.3	81%	0.811	77%	0.77	S	S	*	*			trans	56.7	156.8	139.1	-80.9	-173.9	148	-177.1	-6.6	122.7
171	L	27.3	Very low	30.5	Very low	123 Å²	123	145.7 Å²	145.7	64%	0.644	78%	0.778	S	S	*	*			cis	-142.1	151.3	-4.2	-90.7	132.5	0	0	0	107.4
172	Q	30.4	Very low	30.4	Very low	133 Å²	133	145.4 Å²	145.4	62%	0.621	78%	0.78	S	S	*	*				67.6	142.7	63	-110.3	179.4	-36.2	0	0	115.1
173	E	34	Very low	31.3	Very low	143 Å²	143	142.1 Å²	142.1	67%	0.668	77%	0.773	S	S	*	*			cis	-157.3	162.5	7.1	-170.8	127.3	-106.2	0	0	110.4
174	L	30.4	Very low	31.2	Very low	144 Å²	144	145.2 Å²	145.2	75%	0.754	78%	0.779	S	S	*	*				172.3	158	100.8	-86.5	166.5	0	0	0	115.3
175	L	26.8	Very low	31.2	Very low	166 Å²	166	141 Å²	141	87%	0.869	77%	0.774	S	S	*	*			trans	-4	147.8	153.4	-48.8	171.1	0	0	0	120.8
176	G	24.7	Very low	31.1	Very low	71 Å²	71	137 Å²	137	73%	0.732	77%	0.774	S	S	*	*			cis	142.4	170.4	1	0	0	0	0	0	111.7
177	P	40.2	Very low	30.9	Very low	127 Å²	127	140.5 Å²	140.5	83%	0.825	78%	0.775	S	S	*	*			cis	-137.7	170.2	-15.4	43.3	-26	0	0	0	117.2
178	S	24.2	Very low	29.9	Very low	113 Å²	113	140.7 Å²	140.7	79%	0.79	77%	0.765	S	S	*	*			trans	-0.6	166.8	145.1	-71.1	0	0	0	0	123.8
179	P	38	Very low	29.8	Very low	124 Å²	124	147.5 Å²	147.5	81%	0.805	77%	0.769	S	S	*	*			cis	-140.5	169.6	22.8	42.3	-24	0	0	0	119.7
180	Q	29.7	Very low	28.8	Very low	185 Å²	185	145.6 Å²	145.6	86%	0.864	76%	0.764	S	S	*	*			trans	-102.5	156.1	155.9	-67.7	177.6	-25.1	0	0	111
181	R	25.7	Very low	28.4	Very low	255 Å²	255	143.1 Å²	143.1	96%	0.962	77%	0.766	S	S	*	*			trans	-170.3	167.6	131.9	-107.7	175.9	-163.6	-133.7	2.6	112.7
182	D	23.9	Very low	28.2	Very low	149 Å²	149	142.7 Å²	142.7	80%	0.797	77%	0.773	S	S	*	*			trans	-130.4	-161.3	-159.6	-156.2	24.3	0	0	0	110.8
183	P	47.6	Very low	28	Very low	95 Å²	95	140.8 Å²	140.8	62%	0.617	78%	0.781	S	S	*	*				-122.1	-167.4	-104.5	39.1	-22.7	0	0	0	117.6
184	Q	23.7	Very low	28.3	Very low	188 Å²	188	138.5 Å²	138.5	88%	0.879	78%	0.778	S	S	*	*			trans	82.6	141.3	172.6	-49.3	-164.8	-19.5	0	0	116.5
185	A	25	Very low	27.8	Very low	85 Å²	85	144 Å²	144	70%	0.702	79%	0.789	S	S	*	*			cis	-166.7	149	34.2	0	0	0	0	0	114.7
186	V	24.6	Very low	27.7	Very low	135 Å²	135	143.2 Å²	143.2	82%	0.818	79%	0.785	S	S	*	*			trans	45.6	116.9	141.3	-176.4	0	0	0	0	121.2
187	K	24.3	Very low	27.8	Very low	182 Å²	182	144.8 Å²	144.8	79%	0.791	79%	0.785	S	S	*	*				-169.5	170.9	100.8	-142.6	155.6	-175.2	178.2	0	115.2
188	E	24.6	Very low	27	Very low	129 Å²	129	146.5 Å²	146.5	60%	0.603	79%	0.786	S	S	*	*			trans	-73.5	157.5	-165.6	-48.2	152.8	69.7	0	0	117.4
189	R	24.7	Very low	27.1	Very low	212 Å²	212	150.9 Å²	150.9	80%	0.8	79%	0.791	S	S	*	*				134.1	118.7	102.9	-150.7	162.1	-176.9	129.6	-8.4	116.8
190	A	21.8	Very low	26.8	Very low	84 Å²	84	150.4 Å²	150.4	69%	0.694	79%	0.788	S	S	*	*			trans	50.7	139.5	152.6	0	0	0	0	0	119.7
191	L	24.2	Very low	27.2	Very low	162 Å²	162	147.8 Å²	147.8	85%	0.848	79%	0.787	S	S	*	*				-165.9	171.2	62.1	-87.2	167.3	0	0	0	112.6
192	S	23.8	Very low	27.4	Very low	114 Å²	114	145.1 Å²	145.1	80%	0.797	79%	0.786	S	S	*	*			trans	74.6	84.4	154.6	-57	0	0	0	0	120.6
193	A	26.4	Very low	27.5	Very low	94 Å²	94	141.1 Å²	141.1	78%	0.777	78%	0.78	S	S	*	*				-94	-177.6	127.1	0	0	0	0	0	108
194	P	39.8	Very low	26.5	Very low	95 Å²	95	144.9 Å²	144.9	62%	0.617	80%	0.795	S	S	*	*			cis	-139	-171.7	3.2	44.4	-27.1	0	0	0	114.9
195	W	20.8	Very low	26.7	Very low	258 Å²	258	143.4 Å²	143.4	98%	0.977	79%	0.79	S	S	*	*				-148	160.2	118.7	-103.2	-45.7	0	0	0	111.1
196	L	24.9	Very low	26.9	Very low	150 Å²	150	148.6 Å²	148.6	79%	0.785	80%	0.8	S	S	*	*			trans	-140.4	178.9	-167	-100.5	172.5	0	0	0	110.5
197	S	26	Very low	27.1	Very low	104 Å²	104	148.6 Å²	148.6	73%	0.727	80%	0.795	S	S	*	*			trans	84.9	147.5	171.8	-46.6	0	0	0	0	114.4
198	L	23.8	Very low	27.3	Very low	164 Å²	164	148.7 Å²	148.7	86%	0.859	80%	0.795	S	S	*	*			cis	-131.8	136.3	23.1	-70.5	154.4	0	0	0	114.3
199	F	25.8	Very low	27.4	Very low	204 Å²	204	150.6 Å²	150.6	90%	0.895	80%	0.804	S	S	*	*			trans	-129	140.3	146.8	-94	-81.8	0	0	0	107.4
200	P	32.6	Very low	27.6	Very low	114 Å²	114	149.3 Å²	149.3	74%	0.74	81%	0.81	S	S	*	*			trans	-84.7	162.3	162.1	33.3	-29	0	0	0	111.5
201	P	36.3	Very low	28	Very low	130 Å²	130	152 Å²	152	84%	0.844	82%	0.817	S	S	*	*			trans	-102.6	178.6	-151.2	40	-38.2	0	0	0	116.6
202	E	31.3	Very low	28.3	Very low	199 Å²	199	146.8 Å²	146.8	93%	0.93	80%	0.803	S	S	*	*			trans	-68.3	169.5	179.6	-56	176.7	135.9	0	0	114.6
203	G	25.4	Very low	28.6	Very low	66 Å²	66	148.2 Å²	148.2	68%	0.68	81%	0.81	S	S	*	*			trans	-154.2	79.3	-179.6	0	0	0	0	0	115
204	N	26.4	Very low	28.8	Very low	173 Å²	173	152.3 Å²	152.3	93%	0.925	81%	0.813	S	S	*	*			trans	71.5	157.6	154.8	-57.1	-0.7	0	0	0	119.6
205	M	28.8	Very low	28.4	Very low	158 Å²	158	153.8 Å²	153.8	78%	0.778	82%	0.815	S	S	*	*			trans	-135.3	136.4	-174.3	168.9	-177.9	172.1	0	0	108.3
206	E	28.1	Very low	28.8	Very low	194 Å²	194	145.5 Å²	145.5	91%	0.907	79%	0.794	S	S	*	*			trans	-138.3	138.5	167.1	-73.1	-166.2	119.7	0	0	109.4
207	D	29.2	Very low	29.1	Very low	134 Å²	134	147.1 Å²	147.1	72%	0.717	80%	0.798	S	S	*	*			trans	-82.3	145.3	-170.8	-54.6	-79.9	0	0	0	113.9
208	K	29.2	Very low	29.4	Very low	184 Å²	184	145.5 Å²	145.5	80%	0.8	79%	0.787	S	S	*	*			trans	-158	119.7	144.7	-123.6	160.1	-174.9	169	0	117.2
209	E	25.7	Very low	29.7	Very low	169 Å²	169	144.2 Å²	144.2	79%	0.79	78%	0.78	S	S	*	*			trans	53	118.9	146.9	-66.8	178.6	108.3	0	0	120.6
210	M	28.5	Very low	30.2	Very low	186 Å²	186	140.7 Å²	140.7	92%	0.916	77%	0.766	S	S	*	*			trans	-71.6	127.9	168.5	-178.9	104.6	71.6	0	0	111.5
211	T	30.7	Very low	30.4	Very low	139 Å²	139	140.7 Å²	140.7	85%	0.853	76%	0.76	S	S	*	*			trans	-124.4	139.1	155.5	24.9	0	0	0	0	109.9
212	G	30.6	Very low	30.3	Very low	54 Å²	54	140.6 Å²	140.6	56%	0.557	76%	0.756	S	S	*	*			trans	-74.1	167.8	-169.6	0	0	0	0	0	114.5	Q214	G212-Q214 PolarHBondContact O-N 2.94Å; G212-Q214 VanDerWaalsContact O-N 3.12Å
213	P	30	Very low	30.3	Very low	143 Å²	143	134 Å²	134	93%	0.929	74%	0.736	S	S	*	*			trans	-62.8	113.2	-177	-20.5	32.9	0	0	0	112.3
214	Q	30.3	Very low	30.7	Very low	180 Å²	180	139.4 Å²	139.4	84%	0.841	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-84.1	149.3	163.9	-75.1	-71.2	7.9	0	0	110.1	G212	G212-Q214 PolarHBondContact O-N 2.94Å; G212-Q214 VanDerWaalsContact O-N 3.12Å
215	L	31.4	Very low	31.1	Very low	127 Å²	127	139.7 Å²	139.7	67%	0.665	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-82.1	134	-174.4	-161.5	78.1	0	0	0	111.2	E217	L215-E217 PolarHBondContact O-N 3.13Å
216	P	28.9	Very low	31.7	Very low	83 Å²	83	134.9 Å²	134.9	54%	0.539	71%	0.712	S	S	.	*	P	Polyproline II helix	trans	-69.6	126.6	175.2	-21.5	33.8	0	0	0	113.3	D221	P216-D221 VanDerWaalsContact CB-OD2 3.31Å; P216-D221 WeakPolarHBondContact CB-OD2 3.49Å
217	E	31.5	Very low	32.4	Very low	185 Å²	185	128 Å²	128	86%	0.864	69%	0.685	S	S	*	*			trans	-122.7	58.2	178.1	-66.9	-165.1	138.5	0	0	112.6	L215	L215-E217 PolarHBondContact O-N 3.13Å
218	S	33.4	Very low	32.9	Very low	70 Å²	70	129.7 Å²	129.7	49%	0.49	69%	0.689	S	S	.	*	S	Bend	trans	-154.7	173.9	164.9	89.9	0	0	0	0	113.2	E220	S218-E220 VanDerWaalsContact C-N 3.31Å; S218-E220 PolarHBondContact OG-N 3.34Å
219	L	28.6	Very low	33.5	Very low	136 Å²	136	128.5 Å²	128.5	71%	0.712	69%	0.686	S	S	*	*	S	Bend	trans	-86.6	2.9	179.5	-152.8	79.7	0	0	0	113.3
220	E	36.9	Very low	34.2	Very low	131 Å²	131	125.7 Å²	125.7	61%	0.612	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-77.4	-23.7	-170.8	-61.4	-175.4	137.9	0	0	112.7	S218 V222 A223	S218-E220 VanDerWaalsContact C-N 3.31Å; S218-E220 PolarHBondContact OG-N 3.34Å; E220-V222 PolarHBondContact O-N 2.85Å; E220-V222 VanDerWaalsContact O-N 3.13Å; E220-A223 PolarHBondContact O-N 3.25Å
221	D	36.2	Very low	35	Very low	114 Å²	114	121.3 Å²	121.3	61%	0.61	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-68.5	-7.5	179.8	-66.1	-29.1	0	0	0	115	P216	P216-D221 VanDerWaalsContact CB-OD2 3.31Å; P216-D221 WeakPolarHBondContact CB-OD2 3.49Å
222	V	35.8	Very low	35.4	Very low	127 Å²	127	117 Å²	117	77%	0.77	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-94	-4.9	178.5	-171.3	0	0	0	0	111.9	E220	E220-V222 PolarHBondContact O-N 2.85Å; E220-V222 VanDerWaalsContact O-N 3.13Å
223	A	31.6	Very low	36.2	Very low	60 Å²	60	122.9 Å²	122.9	50%	0.496	64%	0.642	S	S	.	*	S	Bend	trans	-77.6	129.6	172.7	0	0	0	0	0	111.3	E220 Y225	E220-A223 PolarHBondContact O-N 3.25Å; A223-Y225 HydrophobicContact CB-CD2 4.43Å; A223-Y225 HydrophobicContact CB-CE2 4.28Å; A223-Y225 WeakPolarHBondContact O-CD2 3.37Å; A223-Y225 PolarHBondContact O-N 2.82Å
224	M	33.8	Very low	36.6	Very low	180 Å²	180	118.2 Å²	118.2	89%	0.887	61%	0.608	S	S	*	*			trans	-68.7	98.6	163.6	-67.1	-161.1	-44.3	0	0	109.1	I226	M224-I226 PolarHBondContact O-N 3.38Å
225	Y	34.4	Very low	37.6	Very low	180 Å²	180	113.6 Å²	113.6	71%	0.706	59%	0.589	S	S	*	*			trans	-64.7	101.9	172.6	-82.9	-93.3	0	0	0	110.4	A223	A223-Y225 HydrophobicContact CB-CD2 4.43Å; A223-Y225 HydrophobicContact CB-CE2 4.28Å; A223-Y225 WeakPolarHBondContact O-CD2 3.37Å; A223-Y225 PolarHBondContact O-N 2.82Å
226	I	39.9	Very low	38.3	Very low	56 Å²	56	111.4 Å²	111.4	29%	0.287	58%	0.583	S	S	.	*			trans	-76.3	125.7	157	-61.9	161.1	0	0	0	105.7	M224 E230 W231	M224-I226 PolarHBondContact O-N 3.38Å; I226-E230 HydrophobicContact CG2-CB 3.68Å; I226-W231 HydrophobicContact CD1-CE3 4.29Å; I226-W231 HydrophobicContact CD1-CZ3 4.25Å; I226-W231 HydrophobicContact CG2-CB 4.36Å; I226-W231 HydrophobicContact CG2-CE3 4.32Å
227	S	43.6	Very low	39.1	Very low	50 Å²	50	108.5 Å²	108.5	35%	0.35	56%	0.564	S	S	.	*			trans	-62.8	156.2	-178.6	65.9	0	0	0	0	111.9	E229 E230 W231	S227-E229 PolarHBondContact O-N 3.05Å; S227-E229 VanDerWaalsContact O-N 3.14Å; S227-E230 VanDerWaalsContact CB-OE2 3.29Å; S227-E230 WeakPolarHBondContact CB-OE2 3.41Å; S227-E230 PolarHBondContact N-OE2 3.49Å; S227-E230 PolarHBondContact O-N 3.07Å; S227-E230 WeakPolarHBondContact OG-CB 3.49Å; S227-E230 VanDerWaalsContact OG-CD 3.3Å; S227-E230 WeakPolarHBondContact OG-CG 3.41Å; S227-E230 PolarHBondContact OG-N 3.21Å; S227-E230 PolarHBondContact OG-OE2 3.06Å; S227-W231 WeakPolarHBondContact O-CB 3.33Å; S227-W231 PolarHBondContact O-N 3.05Å
228	Q	40.9	Very low	39.8	Very low	170 Å²	170	106.1 Å²	106.1	79%	0.794	55%	0.551	S	S	*	*	H	α-helix	trans	-56.8	-31.9	179.8	-168.6	74	-15.7	0	0	112.1	G232	Q228-G232 PolarHBondContact O-N 3.48Å
229	E	40.5	Very low	40.9	Very low	158 Å²	158	106 Å²	106	74%	0.738	54%	0.54	S	S	*	.	H	α-helix	trans	-76.8	-48	178.9	-57.7	-173.6	152	0	0	111.8	S227 W231 G232 H233	S227-E229 PolarHBondContact O-N 3.05Å; S227-E229 VanDerWaalsContact O-N 3.14Å; E229-W231 VanDerWaalsContact C-N 3.26Å; E229-W231 PolarHBondContact O-N 3.27Å; E229-G232 WeakPolarHBondContact O-CA 3.4Å; E229-G232 PolarHBondContact O-N 3.41Å; E229-H233 PolarHBondContact O-CD2 3.15Å; E229-H233 PolarHBondContact O-N 3.34Å
230	E	40.3	Very low	42	Very low	111 Å²	111	100 Å²	100	52%	0.519	51%	0.51	S	S	.	.	H	α-helix	trans	-59.3	-38.9	172.8	-72.1	169.3	111.9	0	0	111.9	I226 S227 G232 H233 Q234	I226-E230 HydrophobicContact CG2-CB 3.68Å; S227-E230 VanDerWaalsContact CB-OE2 3.29Å; S227-E230 WeakPolarHBondContact CB-OE2 3.41Å; S227-E230 PolarHBondContact N-OE2 3.49Å; S227-E230 PolarHBondContact O-N 3.07Å; S227-E230 WeakPolarHBondContact OG-CB 3.49Å; S227-E230 VanDerWaalsContact OG-CD 3.3Å; S227-E230 WeakPolarHBondContact OG-CG 3.41Å; S227-E230 PolarHBondContact OG-N 3.21Å; S227-E230 PolarHBondContact OG-OE2 3.06Å; E230-G232 VanDerWaalsContact C-N 3.26Å; E230-G232 PolarHBondContact O-N 2.99Å; E230-H233 PolarHBondContact O-N 3.24Å; E230-H233 VanDerWaalsContact O-N 3.11Å; E230-Q234 PolarHBondContact O-N 3.09Å; E230-Q234 VanDerWaalsContact O-N 3.12Å
231	W	45.3	Very low	42.4	Very low	94 Å²	94	98 Å²	98	36%	0.356	50%	0.503	S	S	.	.	H	α-helix	trans	-57.4	-44.1	173.3	-170.3	-100.3	0	0	0	110.3	I226 S227 E229 H233 Q234 R239	I226-W231 HydrophobicContact CD1-CE3 4.29Å; I226-W231 HydrophobicContact CD1-CZ3 4.25Å; I226-W231 HydrophobicContact CG2-CB 4.36Å; I226-W231 HydrophobicContact CG2-CE3 4.32Å; S227-W231 WeakPolarHBondContact O-CB 3.33Å; S227-W231 PolarHBondContact O-N 3.05Å; E229-W231 VanDerWaalsContact C-N 3.26Å; E229-W231 PolarHBondContact O-N 3.27Å; W231-H233 VanDerWaalsContact C-N 3.28Å; W231-H233 PolarHBondContact O-N 2.89Å; W231-Q234 PolarHBondContact O-N 3.48Å; W231-R239 HydrophobicContact CH2-CB 4.27Å; W231-R239 HydrophobicContact CH2-CG 4.46Å; W231-R239 HydrophobicContact CZ2-CB 4.25Å; W231-R239 HydrophobicContact CZ2-CG 4.28Å; W231-R239 PolarHBondContact O-NE 2.83Å; W231-R239 PolarHBondContact O-NH2 2.98Å
232	G	38.9	Very low	42.8	Very low	49 Å²	49	94.4 Å²	94.4	51%	0.505	49%	0.487	S	S	.	.	H	α-helix	trans	-55.2	-36	173.7	0	0	0	0	0	114.5	Q228 E229 E230 R239	Q228-G232 PolarHBondContact O-N 3.48Å; E229-G232 WeakPolarHBondContact O-CA 3.4Å; E229-G232 PolarHBondContact O-N 3.41Å; E230-G232 VanDerWaalsContact C-N 3.26Å; E230-G232 PolarHBondContact O-N 2.99Å; G232-R239 VanDerWaalsContact C-NH2 3.29Å; G232-R239 PolarHBondContact O-NH2 2.64Å
233	H	48.2	Very low	43.5	Very low	176 Å²	176	95.8 Å²	95.8	82%	0.815	48%	0.478	S	S	*	.	H	α-helix	trans	-91	-8.3	-179.2	-73.6	-77.2	0	0	0	115.7	E229 E230 W231	E229-H233 PolarHBondContact O-CD2 3.15Å; E229-H233 PolarHBondContact O-N 3.34Å; E230-H233 PolarHBondContact O-N 3.24Å; E230-H233 VanDerWaalsContact O-N 3.11Å; W231-H233 VanDerWaalsContact C-N 3.28Å; W231-H233 PolarHBondContact O-N 2.89Å
234	Q	39.3	Very low	44.3	Very low	45 Å²	45	94.9 Å²	94.9	21%	0.21	47%	0.465	C	S	.	.	S	Bend	trans	-70.6	135.2	176.5	-74.4	-162.3	12.4	0	0	114.2	E230 W231 K238 R239	E230-Q234 PolarHBondContact O-N 3.09Å; E230-Q234 VanDerWaalsContact O-N 3.12Å; W231-Q234 PolarHBondContact O-N 3.48Å; Q234-K238 HydrophobicContact CB-CB 4.48Å; Q234-R239 HydrophobicContact CB-CG 3.72Å; Q234-R239 PolarHBondContact O-NE 3.21Å; Q234-R239 PolarHBondContact O-NH2 3.16Å
235	D	49.8	Very low	44.8	Very low	83 Å²	83	90 Å²	90	44%	0.444	45%	0.445	S	S	.	.			trans	-54.6	139.8	166.9	178.1	-92	0	0	0	111.3	S237 K238 R239	D235-S237 PolarHBondContact O-N 2.84Å; D235-S237 VanDerWaalsContact O-N 3.09Å; D235-S237 WeakPolarHBondContact OD1-CA 3.12Å; D235-S237 WeakPolarHBondContact OD1-CB 3.46Å; D235-S237 PolarHBondContact OD1-N 3.33Å; D235-S237 PolarHBondContact OD1-OG 3.06Å; D235-K238 HydrophobicContact CB-CG 4.34Å; D235-K238 WeakPolarHBondContact O-CA 2.91Å; D235-K238 WeakPolarHBondContact O-CB 3.39Å; D235-K238 PolarHBondContact O-N 2.9Å; D235-R239 PolarHBondContact O-N 3.28Å
236	P	47.5	Very low	45.6	Very low	82 Å²	82	85.3 Å²	85.3	53%	0.532	44%	0.435	S	S	.	.	H	α-helix	trans	-53.5	-32	-179.6	-29.3	36.4	0	0	0	114.9	K238 A240	P236-K238 VanDerWaalsContact C-N 3.34Å; P236-A240 WeakPolarHBondContact O-CB 3.44Å; P236-A240 PolarHBondContact O-N 3.07Å
237	S	45.3	Very low	46	Very low	22 Å²	22	86.9 Å²	86.9	15%	0.154	44%	0.442	C	S	.	.	H	α-helix	trans	-69.1	-31.9	177.4	-35.7	0	0	0	0	112	D235 L241 P490	D235-S237 PolarHBondContact O-N 2.84Å; D235-S237 VanDerWaalsContact O-N 3.09Å; D235-S237 WeakPolarHBondContact OD1-CA 3.12Å; D235-S237 WeakPolarHBondContact OD1-CB 3.46Å; D235-S237 PolarHBondContact OD1-N 3.33Å; D235-S237 PolarHBondContact OD1-OG 3.06Å; S237-L241 WeakPolarHBondContact O-CB 3.34Å; S237-L241 PolarHBondContact O-N 3.46Å; S237-L241 VanDerWaalsContact O-N 3.11Å; S237-P490 PolarHBondContact OG-O 3.23Å
238	K	45.3	Very low	45.9	Very low	135 Å²	135	90.5 Å²	90.5	59%	0.587	45%	0.453	S	S	*	.	H	α-helix	trans	-72.6	-49.1	174.8	-68	-175.1	177.5	-176.2	0	110.8	Q234 D235 P236 A240 L241 S242	Q234-K238 HydrophobicContact CB-CB 4.48Å; D235-K238 HydrophobicContact CB-CG 4.34Å; D235-K238 WeakPolarHBondContact O-CA 2.91Å; D235-K238 WeakPolarHBondContact O-CB 3.39Å; D235-K238 PolarHBondContact O-N 2.9Å; P236-K238 VanDerWaalsContact C-N 3.34Å; K238-A240 VanDerWaalsContact C-N 3.25Å; K238-A240 PolarHBondContact O-N 2.81Å; K238-L241 WeakPolarHBondContact O-CB 3.48Å; K238-L241 PolarHBondContact O-N 3.3Å; K238-S242 PolarHBondContact O-N 3.47Å; K238-S242 PolarHBondContact O-OG 3.11Å; K238-S242 VanDerWaalsContact O-OG 3.12Å
239	R	56.6	Low	45.9	Very low	67 Å²	67	85.7 Å²	85.7	25%	0.253	44%	0.438	S	S	.	.	H	α-helix	trans	-55.6	-41.1	174.9	-61.8	-173.6	-170.6	134.5	4.4	112	W231 G232 Q234 D235 S242 R243	W231-R239 HydrophobicContact CH2-CB 4.27Å; W231-R239 HydrophobicContact CH2-CG 4.46Å; W231-R239 HydrophobicContact CZ2-CB 4.25Å; W231-R239 HydrophobicContact CZ2-CG 4.28Å; W231-R239 PolarHBondContact O-NE 2.83Å; W231-R239 PolarHBondContact O-NH2 2.98Å; G232-R239 VanDerWaalsContact C-NH2 3.29Å; G232-R239 PolarHBondContact O-NH2 2.64Å; Q234-R239 HydrophobicContact CB-CG 3.72Å; Q234-R239 PolarHBondContact O-NE 3.21Å; Q234-R239 PolarHBondContact O-NH2 3.16Å; D235-R239 PolarHBondContact O-N 3.28Å; R239-S242 PolarHBondContact O-N 3Å; R239-R243 WeakPolarHBondContact O-CB 3.5Å; R239-R243 PolarHBondContact O-N 3.45Å
240	A	51.7	Low	46	Very low	11 Å²	11	85.1 Å²	85.1	9%	0.091	43%	0.43	C	S	.	.	H	α-helix	trans	-67.7	-36.3	176.4	0	0	0	0	0	113.3	P236 K238 D244 P490 Y491	P236-A240 WeakPolarHBondContact O-CB 3.44Å; P236-A240 PolarHBondContact O-N 3.07Å; K238-A240 VanDerWaalsContact C-N 3.25Å; K238-A240 PolarHBondContact O-N 2.81Å; A240-D244 WeakPolarHBondContact O-CB 3.38Å; A240-D244 VanDerWaalsContact O-CG 3.32Å; A240-D244 PolarHBondContact O-N 2.82Å; A240-P490 HydrophobicContact CB-CB 3.43Å; A240-P490 VanDerWaalsContact CB-CB 3.43Å; A240-P490 HydrophobicContact CB-CG 4.23Å; A240-Y491 HydrophobicContact CB-CE1 4.28Å
241	L	45.1	Very low	46.3	Very low	88 Å²	88	81.6 Å²	81.6	46%	0.461	41%	0.413	S	S	.	.	H	α-helix	trans	-68.1	-41.7	174.4	-176.1	63.6	0	0	0	111.7	S237 K238 D244 T245	S237-L241 WeakPolarHBondContact O-CB 3.34Å; S237-L241 PolarHBondContact O-N 3.46Å; S237-L241 VanDerWaalsContact O-N 3.11Å; K238-L241 WeakPolarHBondContact O-CB 3.48Å; K238-L241 PolarHBondContact O-N 3.3Å; L241-D244 PolarHBondContact O-N 3.24Å; L241-T245 WeakPolarHBondContact O-CB 3.36Å; L241-T245 PolarHBondContact O-N 2.65Å; L241-T245 PolarHBondContact O-OG1 3.47Å
242	S	44.8	Very low	46	Very low	38 Å²	38	80.1 Å²	80.1	27%	0.266	41%	0.413	S	S	.	.	H	α-helix	trans	-61.4	-47.2	175.6	-53.9	0	0	0	0	111.2	K238 R239 D244 T245 V246	K238-S242 PolarHBondContact O-N 3.47Å; K238-S242 PolarHBondContact O-OG 3.11Å; K238-S242 VanDerWaalsContact O-OG 3.12Å; R239-S242 PolarHBondContact O-N 3Å; S242-D244 PolarHBondContact O-N 3.34Å; S242-T245 PolarHBondContact O-N 3.36Å; S242-V246 WeakPolarHBondContact O-CG2 3.29Å; S242-V246 PolarHBondContact O-N 2.89Å
243	R	50.7	Low	46.2	Very low	156 Å²	156	82.2 Å²	82.2	59%	0.589	42%	0.416	S	S	*	.	H	α-helix	trans	-59.2	-45.3	176.2	-173.5	-177.2	-64.2	156.4	-0.7	112.5	R239 T245 V246 Q247	R239-R243 WeakPolarHBondContact O-CB 3.5Å; R239-R243 PolarHBondContact O-N 3.45Å; R243-T245 VanDerWaalsContact C-N 3.3Å; R243-T245 PolarHBondContact O-N 2.85Å; R243-V246 PolarHBondContact O-N 2.97Å; R243-Q247 WeakPolarHBondContact O-CB 3.35Å; R243-Q247 PolarHBondContact O-N 3.08Å
244	D	48.2	Very low	45.5	Very low	42 Å²	42	79.5 Å²	79.5	23%	0.225	41%	0.407	C	S	.	.	H	α-helix	trans	-63.7	-37.1	177.5	-78.3	13.4	0	0	0	112	A240 L241 S242 E248 R483 Y491	A240-D244 WeakPolarHBondContact O-CB 3.38Å; A240-D244 VanDerWaalsContact O-CG 3.32Å; A240-D244 PolarHBondContact O-N 2.82Å; L241-D244 PolarHBondContact O-N 3.24Å; S242-D244 PolarHBondContact O-N 3.34Å; D244-E248 WeakPolarHBondContact O-CB 3.41Å; D244-E248 PolarHBondContact O-N 3.12Å; D244-R483 VanDerWaalsContact CG-NH2 3.26Å; D244-R483 IonicContact OD1-CZ 3.63Å; D244-R483 IonicContact OD1-NH1 3.99Å; D244-R483 PolarHBondContact OD1-NH1 3.39Å; D244-R483 IonicContact OD1-NH2 3.13Å; D244-R483 PolarHBondContact OD1-NH2 3.12Å; D244-R483 IonicContact OD2-CZ 3.58Å; D244-R483 IonicContact OD2-NH1 3.37Å; D244-R483 PolarHBondContact OD2-NH1 2.67Å; D244-R483 IonicContact OD2-NH2 3.13Å; D244-R483 PolarHBondContact OD2-NH2 3.19Å; D244-R483 VanDerWaalsContact OD2-NH2 3.16Å; D244-Y491 PolarHBondContact OD2-OH 2.95Å
245	T	43.8	Very low	45.6	Very low	76 Å²	76	79.7 Å²	79.7	47%	0.466	41%	0.413	S	S	.	.	H	α-helix	trans	-70.1	-44.4	178.9	-54.4	0	0	0	0	111.5	L241 S242 R243 E248 S249	L241-T245 WeakPolarHBondContact O-CB 3.36Å; L241-T245 PolarHBondContact O-N 2.65Å; L241-T245 PolarHBondContact O-OG1 3.47Å; S242-T245 PolarHBondContact O-N 3.36Å; R243-T245 VanDerWaalsContact C-N 3.3Å; R243-T245 PolarHBondContact O-N 2.85Å; T245-E248 PolarHBondContact O-N 3.46Å; T245-S249 PolarHBondContact O-N 3.2Å; T245-S249 PolarHBondContact O-OG 3.37Å
246	V	51.9	Low	45.1	Very low	82 Å²	82	82 Å²	82	50%	0.497	43%	0.425	S	S	.	.	H	α-helix	trans	-61.9	-44.1	175	171.7	0	0	0	0	110.7	S242 R243 S249 Y250	S242-V246 WeakPolarHBondContact O-CG2 3.29Å; S242-V246 PolarHBondContact O-N 2.89Å; R243-V246 PolarHBondContact O-N 2.97Å; V246-S249 WeakPolarHBondContact O-CB 3.27Å; V246-S249 PolarHBondContact O-N 2.98Å; V246-Y250 HydrophobicContact CG1-CD2 3.83Å; V246-Y250 HydrophobicContact CG1-CE2 3.94Å; V246-Y250 WeakPolarHBondContact O-CD2 3.35Å; V246-Y250 PolarHBondContact O-N 3.13Å
247	Q	48.4	Very low	44.3	Very low	90 Å²	90	85.4 Å²	85.4	42%	0.421	43%	0.434	S	S	.	.	H	α-helix	trans	-64.7	-40.1	177.4	-168.1	66.6	50.8	0	0	112.5	R243 S249 Y250 E251	R243-Q247 WeakPolarHBondContact O-CB 3.35Å; R243-Q247 PolarHBondContact O-N 3.08Å; Q247-S249 VanDerWaalsContact C-N 3.33Å; Q247-Y250 PolarHBondContact O-N 3.4Å; Q247-E251 PolarHBondContact O-N 3.46Å
248	E	42.5	Very low	43.7	Very low	125 Å²	125	88.4 Å²	88.4	58%	0.584	45%	0.454	S	S	*	.	H	α-helix	trans	-66.6	-34.4	175.2	-170.9	165.4	-162.9	0	0	111.4	D244 T245 N252	D244-E248 WeakPolarHBondContact O-CB 3.41Å; D244-E248 PolarHBondContact O-N 3.12Å; T245-E248 PolarHBondContact O-N 3.46Å; E248-N252 PolarHBondContact O-N 3.17Å; E248-N252 PolarHBondContact O-ND2 3.15Å
249	S	40.3	Very low	43.3	Very low	69 Å²	69	89.1 Å²	89.1	48%	0.483	46%	0.46	S	S	.	.	H	α-helix	trans	-63.8	-48.8	170.7	-67.2	0	0	0	0	112.4	T245 V246 Q247 E251 N252 V253	T245-S249 PolarHBondContact O-N 3.2Å; T245-S249 PolarHBondContact O-OG 3.37Å; V246-S249 WeakPolarHBondContact O-CB 3.27Å; V246-S249 PolarHBondContact O-N 2.98Å; Q247-S249 VanDerWaalsContact C-N 3.33Å; S249-E251 PolarHBondContact O-N 3.41Å; S249-N252 WeakPolarHBondContact O-CB 3.46Å; S249-N252 PolarHBondContact O-N 3.29Å; S249-N252 VanDerWaalsContact O-N 3.09Å; S249-V253 PolarHBondContact O-N 2.81Å
250	Y	42.4	Very low	41.9	Very low	147 Å²	147	92.6 Å²	92.6	58%	0.576	48%	0.482	S	S	*	.	H	α-helix	trans	-61	-42.7	177.6	-91.2	-84.3	0	0	0	112.5	V246 Q247 N252 V253 D254	V246-Y250 HydrophobicContact CG1-CD2 3.83Å; V246-Y250 HydrophobicContact CG1-CE2 3.94Å; V246-Y250 WeakPolarHBondContact O-CD2 3.35Å; V246-Y250 PolarHBondContact O-N 3.13Å; Q247-Y250 PolarHBondContact O-N 3.4Å; Y250-N252 PolarHBondContact O-N 3.01Å; Y250-N252 VanDerWaalsContact O-N 3.16Å; Y250-V253 PolarHBondContact O-N 2.88Å; Y250-V253 VanDerWaalsContact O-N 3.09Å; Y250-D254 WeakPolarHBondContact O-CB 3.44Å; Y250-D254 PolarHBondContact O-N 2.81Å
251	E	46.8	Very low	40.8	Very low	36 Å²	36	97.9 Å²	97.9	17%	0.168	52%	0.515	C	S	.	.	H	α-helix	trans	-58.7	-26.7	174.7	-79.4	-170.3	-167.3	0	0	113	Q247 S249 S255 N475 S476	Q247-E251 PolarHBondContact O-N 3.46Å; S249-E251 PolarHBondContact O-N 3.41Å; E251-S255 PolarHBondContact O-OG 3.26Å; E251-N475 PolarHBondContact OE1-ND2 3.17Å; E251-S476 PolarHBondContact OE1-N 3.12Å; E251-S476 WeakPolarHBondContact OE2-CB 3.34Å; E251-S476 PolarHBondContact OE2-N 2.96Å; E251-S476 PolarHBondContact OE2-OG 2.85Å
252	N	39.4	Very low	39.9	Very low	64 Å²	64	99.5 Å²	99.5	34%	0.342	53%	0.534	S	S	.	.	H	α-helix	trans	-83.6	-26.3	177.2	-72.3	-55.4	0	0	0	113.4	E248 S249 Y250	E248-N252 PolarHBondContact O-N 3.17Å; E248-N252 PolarHBondContact O-ND2 3.15Å; S249-N252 WeakPolarHBondContact O-CB 3.46Å; S249-N252 PolarHBondContact O-N 3.29Å; S249-N252 VanDerWaalsContact O-N 3.09Å; Y250-N252 PolarHBondContact O-N 3.01Å; Y250-N252 VanDerWaalsContact O-N 3.16Å
253	V	43.1	Very low	39.2	Very low	93 Å²	93	106.5 Å²	106.5	56%	0.564	56%	0.562	S	S	*	*	H	α-helix	trans	-82.3	-45.7	178	177.1	0	0	0	0	111.2	S249 Y250 S255 L256	S249-V253 PolarHBondContact O-N 2.81Å; Y250-V253 PolarHBondContact O-N 2.88Å; Y250-V253 VanDerWaalsContact O-N 3.09Å; V253-S255 PolarHBondContact O-N 3.2Å; V253-S255 VanDerWaalsContact O-N 3.16Å; V253-L256 WeakPolarHBondContact O-CB 3.2Å; V253-L256 PolarHBondContact O-N 2.97Å
254	D	33.7	Very low	38.2	Very low	118 Å²	118	108 Å²	108	63%	0.631	58%	0.576	S	S	*	*	H	α-helix	trans	-51.9	-36.5	171.7	174.5	76.7	0	0	0	111.7	Y250 L256	Y250-D254 WeakPolarHBondContact O-CB 3.44Å; Y250-D254 PolarHBondContact O-N 2.81Å; D254-L256 VanDerWaalsContact C-N 3.25Å; D254-L256 PolarHBondContact O-N 3.27Å
255	S	39.9	Very low	37.2	Very low	49 Å²	49	112.3 Å²	112.3	34%	0.343	60%	0.604	S	S	.	*	H	α-helix	trans	-70	-11.4	176.4	-63.5	0	0	0	0	115.3	E251 V253	E251-S255 PolarHBondContact O-OG 3.26Å; V253-S255 PolarHBondContact O-N 3.2Å; V253-S255 VanDerWaalsContact O-N 3.16Å
256	L	39.3	Very low	36.6	Very low	133 Å²	133	114.7 Å²	114.7	70%	0.696	62%	0.621	S	S	*	*	H	α-helix	trans	-96.9	-28	178.7	-74.7	163.2	0	0	0	113	V253 D254 S258	V253-L256 WeakPolarHBondContact O-CB 3.2Å; V253-L256 PolarHBondContact O-N 2.97Å; D254-L256 VanDerWaalsContact C-N 3.25Å; D254-L256 PolarHBondContact O-N 3.27Å; L256-S258 PolarHBondContact O-N 2.03Å
257	E	31.9	Very low	35.5	Very low	153 Å²	153	114.2 Å²	114.2	72%	0.715	63%	0.632	S	S	*	*	H	α-helix	trans	-71.7	-15.2	-173.4	-158	161.3	-139.2	0	0	113.3	H259	E257-H259 PolarHBondContact O-N 2.99Å
258	S	32.9	Very low	34.3	Very low	84 Å²	84	117 Å²	117	59%	0.587	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	3.7	-179.4	64.9	0	0	0	0	116.8	L256	L256-S258 PolarHBondContact O-N 2.03Å
259	H	35.7	Very low	33.8	Very low	151 Å²	151	119.5 Å²	119.5	70%	0.699	67%	0.667	S	S	*	*			trans	-137.5	69.3	-177.6	-74.1	-37.4	0	0	0	114.3	E257	E257-H259 PolarHBondContact O-N 2.99Å
260	I	28.1	Very low	33.1	Very low	139 Å²	139	123.4 Å²	123.4	71%	0.713	69%	0.688	S	S	*	*			trans	-111.3	117.4	157.6	-57.8	178.8	0	0	0	108.3	S262	I260-S262 PolarHBondContact O-N 3.02Å
261	P	28.1	Very low	32.4	Very low	122 Å²	122	119.5 Å²	119.5	79%	0.792	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-66.8	119.1	172.1	-18.3	31.9	0	0	0	110.4	Q263	P261-Q263 PolarHBondContact O-N 3.24Å
262	S	25.9	Very low	31.5	Very low	122 Å²	122	127.7 Å²	127.7	85%	0.853	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-67.1	121.9	178.7	-50.3	0	0	0	0	111.1	I260	I260-S262 PolarHBondContact O-N 3.02Å
263	Q	29.1	Very low	30.8	Very low	185 Å²	185	129 Å²	129	86%	0.864	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-87.9	127.7	172.9	-165.1	172.6	18.1	0	0	109.5	P261	P261-Q263 PolarHBondContact O-N 3.24Å
264	E	31.7	Very low	30	Very low	188 Å²	188	128.1 Å²	128.1	88%	0.879	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-73.7	132.8	-177.5	-63.2	-172.6	158.3	0	0	112.4
265	V	26.9	Very low	29.7	Very low	132 Å²	132	132.6 Å²	132.6	80%	0.8	78%	0.783	S	S	*	*			trans	-138.1	128.7	163.4	-172.3	0	0	0	0	108.1
266	P	30.9	Very low	28.9	Very low	127 Å²	127	138 Å²	138	83%	0.825	81%	0.807	S	S	*	*			trans	-89.6	125.2	-165.1	32.4	-34.8	0	0	0	115.1
267	G	27.5	Very low	28.1	Very low	72 Å²	72	142.4 Å²	142.4	74%	0.742	81%	0.814	S	S	*	*			trans	74.1	107.6	131	0	0	0	0	0	120.1
268	T	24.8	Very low	27.6	Very low	148 Å²	148	140.5 Å²	140.5	91%	0.908	81%	0.809	S	S	*	*			trans	-143.1	147.1	138.7	-66.2	0	0	0	0	108
269	Q	31.1	Very low	27.1	Very low	178 Å²	178	141.4 Å²	141.4	83%	0.832	81%	0.813	S	S	*	*			trans	-102.8	175	-172.8	-65.8	-173.3	-0.9	0	0	113
270	V	25.8	Very low	26.6	Very low	150 Å²	150	137.8 Å²	137.8	91%	0.909	81%	0.805	S	S	*	*			trans	81.2	121.8	174.1	-168.6	0	0	0	0	114.6
271	G	26.8	Very low	26.9	Very low	65 Å²	65	138 Å²	138	67%	0.67	81%	0.812	S	S	*	*			cis	177.9	141.4	-9	0	0	0	0	0	115.6
272	Q	29	Very low	27	Very low	209 Å²	209	139.9 Å²	139.9	98%	0.977	81%	0.81	S	S	*	*			trans	46.5	119.6	157.4	-56.4	-175.3	8.3	0	0	119.9
273	G	24.4	Very low	27.2	Very low	90 Å²	90	137.8 Å²	137.8	93%	0.928	80%	0.796	S	S	*	*			trans	-179.2	1.4	169.3	0	0	0	0	0	121.1
274	G	26.7	Very low	27.2	Very low	76 Å²	76	132.6 Å²	132.6	78%	0.784	78%	0.779	S	S	*	*			trans	-146.3	151.5	-174.2	0	0	0	0	0	114
275	K	28.1	Very low	27.1	Very low	211 Å²	211	133 Å²	133	92%	0.917	78%	0.778	S	S	*	*			trans	-103.2	135.7	-178.5	-58.4	-178	-167.1	-64.8	0	110.6
276	L	21.9	Very low	27.3	Very low	162 Å²	162	134.4 Å²	134.4	85%	0.848	78%	0.775	S	S	*	*			trans	-63.1	136.5	-176.9	-177.4	67	0	0	0	112.4
277	W	21.8	Very low	27.1	Very low	227 Å²	227	131.8 Å²	131.8	86%	0.86	77%	0.772	S	S	*	*			trans	-118.5	122.1	160.3	-178	-92.8	0	0	0	108.9
278	D	21.6	Very low	27	Very low	112 Å²	112	136.3 Å²	136.3	60%	0.599	78%	0.778	S	S	*	*			trans	-108.5	111.8	-176	177.6	1.3	0	0	0	109.8	S280	D278-S280 PolarHBondContact O-N 2.83Å; D278-S280 PolarHBondContact OD1-N 2.68Å
279	P	23.8	Very low	27	Very low	103 Å²	103	134.9 Å²	134.9	67%	0.669	77%	0.774	S	S	*	*			trans	-78.3	62.5	178.1	34.3	-35.1	0	0	0	111.6	V281	P279-V281 PolarHBondContact O-N 3.22Å
280	S	25	Very low	27.1	Very low	76 Å²	76	132.3 Å²	132.3	53%	0.531	77%	0.773	S	S	.	*			trans	-54.9	124.7	-179.7	66.8	0	0	0	0	112.5	D278 Q282	D278-S280 PolarHBondContact O-N 2.83Å; D278-S280 PolarHBondContact OD1-N 2.68Å; S280-Q282 PolarHBondContact O-N 3.48Å
281	V	33.8	Very low	27.2	Very low	142 Å²	142	137 Å²	137	86%	0.861	77%	0.774	S	S	*	*			trans	-72.4	97.3	-171.6	179.7	0	0	0	0	111.5	P279 S283	P279-V281 PolarHBondContact O-N 3.22Å; V281-S283 PolarHBondContact O-N 3.44Å
282	Q	30.8	Very low	27	Very low	163 Å²	163	137.8 Å²	137.8	76%	0.762	78%	0.782	S	S	*	*			trans	-86.7	95.8	173.8	-67.5	-166.4	-3.8	0	0	111.8	S280 C284	S280-Q282 PolarHBondContact O-N 3.48Å; Q282-C284 PolarHBondContact O-N 3.2Å
283	S	28.6	Very low	26.7	Very low	78 Å²	78	132.8 Å²	132.8	55%	0.545	78%	0.776	S	S	.	*			trans	-76.5	98.1	173.6	-172.4	0	0	0	0	111.3	V281 K285	V281-S283 PolarHBondContact O-N 3.44Å; S283-K285 PolarHBondContact O-N 2.79Å
284	C	29.7	Very low	26.7	Very low	76 Å²	76	135 Å²	135	51%	0.514	77%	0.772	S	S	.	*			trans	-66.9	97.8	-178.9	-66.5	0	0	0	0	112.8	Q282	Q282-C284 PolarHBondContact O-N 3.2Å
285	K	30.9	Very low	26.9	Very low	197 Å²	197	137.5 Å²	137.5	86%	0.857	78%	0.775	S	S	*	*			trans	-75.6	127.3	169.7	-68.8	177.3	177	172.8	0	110.5	S283 G287	S283-K285 PolarHBondContact O-N 2.79Å; K285-G287 PolarHBondContact O-N 2.82Å; K285-G287 VanDerWaalsContact O-N 3.07Å
286	E	30.4	Very low	26.7	Very low	160 Å²	160	130.5 Å²	130.5	75%	0.748	76%	0.762	S	S	*	*			trans	-72.7	99.2	-177	-66.8	-176.6	155.2	0	0	112.1	K461	E286-K461 VanDerWaalsContact CD-NZ 3.32Å; E286-K461 IonicContact OE1-NZ 3.73Å; E286-K461 PolarHBondContact OE1-NZ 3.01Å; E286-K461 IonicContact OE2-NZ 3.63Å
287	G	25.8	Very low	26.8	Very low	72 Å²	72	132 Å²	132	74%	0.742	77%	0.765	S	S	*	*			trans	-85.9	158.8	170.9	0	0	0	0	0	113.5	K285	K285-G287 PolarHBondContact O-N 2.82Å; K285-G287 VanDerWaalsContact O-N 3.07Å
288	L	25.4	Very low	26.9	Very low	167 Å²	167	129.2 Å²	129.2	87%	0.874	76%	0.762	S	S	*	*			trans	-114.7	128.9	-174.2	-74.3	168.5	0	0	0	113.3
289	S	25.4	Very low	26.9	Very low	119 Å²	119	131.2 Å²	131.2	83%	0.832	77%	0.765	S	S	*	*			trans	65.7	172.8	159.2	-89.3	0	0	0	0	117.1
290	P	32.2	Very low	26.8	Very low	123 Å²	123	135.2 Å²	135.2	80%	0.799	77%	0.772	S	S	*	*			cis	-120.7	-165.1	-0.1	41.4	-27	0	0	0	114.2
291	R	28	Very low	26.7	Very low	249 Å²	249	140.3 Å²	140.3	94%	0.94	79%	0.788	S	S	*	*			trans	-97.9	140.3	171.1	-74.5	-177.8	169.7	-142.2	-1.6	112.1
292	G	23.5	Very low	26.2	Very low	82 Å²	82	140.1 Å²	140.1	85%	0.845	78%	0.782	S	S	*	*				99.9	119.9	126.8	0	0	0	0	0	119.2
293	A	22.3	Very low	26.3	Very low	103 Å²	103	137.9 Å²	137.9	85%	0.851	78%	0.781	S	S	*	*			trans	-166.9	146.9	142.9	0	0	0	0	0	110.8
294	T	25.5	Very low	26.2	Very low	136 Å²	136	142.6 Å²	142.6	83%	0.834	80%	0.795	S	S	*	*			trans	-136.8	145.6	154.3	51.2	0	0	0	0	105.8
295	P	31.3	Very low	26	Very low	129 Å²	129	148 Å²	148	84%	0.838	81%	0.813	S	S	*	*				-154.7	-174.9	91.4	41	-21.5	0	0	0	115.4
296	G	22.6	Very low	25.6	Very low	64 Å²	64	142 Å²	142	66%	0.66	81%	0.807	S	S	*	*			trans	87.7	120.2	171.9	0	0	0	0	0	113.4
297	E	24.5	Very low	25.4	Very low	193 Å²	193	140.4 Å²	140.4	90%	0.902	81%	0.808	S	S	*	*			cis	103.3	145.5	28.8	-69.5	-168	118.4	0	0	114.2
298	E	22.8	Very low	25.6	Very low	170 Å²	170	142.6 Å²	142.6	79%	0.794	81%	0.809	S	S	*	*			trans	70.1	145.9	-177.8	-62.4	-150.6	112.3	0	0	118.9
299	K	22.3	Very low	25.5	Very low	153 Å²	153	139.5 Å²	139.5	67%	0.665	80%	0.801	S	S	*	*			cis	-172.3	128.3	-24.5	-174.7	170.3	-177.9	175.9	0	112.4
300	F	21.7	Very low	25.4	Very low	188 Å²	188	141.1 Å²	141.1	83%	0.825	81%	0.805	S	S	*	*			trans	61.8	167.9	161.1	-82.9	-129.8	0	0	0	116.3
301	E	23.6	Very low	24.8	Very low	183 Å²	183	140.9 Å²	140.9	86%	0.855	81%	0.806	S	S	*	*			cis	-121.3	179.9	3.6	-73	-172.4	131.7	0	0	112.8
302	N	22.8	Very low	24.6	Very low	137 Å²	137	134.3 Å²	134.3	73%	0.733	80%	0.799	S	S	*	*			trans	-129.3	164.9	177.8	-165.4	59.1	0	0	0	110.1
303	P	33.1	Very low	24.6	Very low	116 Å²	116	138.2 Å²	138.2	75%	0.753	80%	0.795	S	S	*	*			trans	-137.3	171.2	133.8	33.3	-18.3	0	0	0	115
304	E	26.4	Very low	24.6	Very low	177 Å²	177	139.4 Å²	139.4	83%	0.827	79%	0.787	S	S	*	*			trans	-91.5	-177.8	-170.3	-53.3	-172.8	114.7	0	0	111.1
305	E	25.4	Very low	24.5	Very low	191 Å²	191	139.6 Å²	139.6	89%	0.893	79%	0.788	S	S	*	*			cis	-142.5	175.6	22.5	-59.9	179.8	174.9	0	0	110.4
306	G	22.8	Very low	24.1	Very low	71 Å²	71	140.6 Å²	140.6	73%	0.732	78%	0.782	S	S	*	*			cis	-173.4	-177.6	4.3	0	0	0	0	0	112
307	V	25.2	Very low	24.4	Very low	126 Å²	126	143 Å²	143	76%	0.764	79%	0.786	S	S	*	*			trans	-136.8	152.8	-174.4	-137.9	0	0	0	0	111.1
308	P	30.9	Very low	24.5	Very low	118 Å²	118	141.7 Å²	141.7	77%	0.766	78%	0.779	S	S	*	*				-138.9	148.7	92.7	27.1	-7.8	0	0	0	113.2
309	S	23.3	Very low	24.5	Very low	101 Å²	101	139.9 Å²	139.9	71%	0.706	78%	0.779	S	S	*	*			cis	79.4	106	46.9	-57.8	0	0	0	0	114.4
310	V	22.4	Very low	24.5	Very low	154 Å²	154	140.2 Å²	140.2	93%	0.933	79%	0.788	S	S	*	*			trans	-146.5	149.2	161.3	-133.2	0	0	0	0	109.8
311	S	20.8	Very low	24.7	Very low	117 Å²	117	139 Å²	139	82%	0.818	79%	0.789	S	S	*	*			trans	-155.2	138.4	-171	56.1	0	0	0	0	114
312	S	23	Very low	25	Very low	111 Å²	111	136.5 Å²	136.5	78%	0.776	79%	0.789	S	S	*	*			trans	-155.5	118.2	160.5	49.8	0	0	0	0	107.7
313	E	23.1	Very low	25	Very low	165 Å²	165	136.4 Å²	136.4	77%	0.771	79%	0.788	S	S	*	*				82.1	121.6	67.2	-77.8	-147.2	98.9	0	0	115.1
314	N	23.4	Very low	24.7	Very low	127 Å²	127	138.8 Å²	138.8	68%	0.679	79%	0.789	S	S	*	*			trans	45.4	126.2	146.4	-48	-35.2	0	0	0	118.9
315	T	22.3	Very low	24.6	Very low	141 Å²	141	133.6 Å²	133.6	87%	0.865	78%	0.776	S	S	*	*				-162	158.9	68.3	34.1	0	0	0	0	114.5
316	H	23.6	Very low	24.5	Very low	150 Å²	150	135.3 Å²	135.3	69%	0.694	78%	0.775	S	S	*	*			trans	-95.7	164.1	163.3	-147.4	-39.9	0	0	0	109.7
317	P	29.3	Very low	24.5	Very low	115 Å²	115	135.3 Å²	135.3	75%	0.747	78%	0.775	S	S	*	*				-136.9	156.9	118.9	37.3	-29	0	0	0	113.4
318	Q	25.2	Very low	24.3	Very low	165 Å²	165	137.3 Å²	137.3	77%	0.771	78%	0.776	S	S	*	*			trans	-103.8	160.1	157.9	-59.9	-175.8	20.4	0	0	108.5
319	V	23.1	Very low	24.1	Very low	131 Å²	131	138 Å²	138	79%	0.794	78%	0.778	S	S	*	*			trans	-161.8	126.6	149.4	125.3	0	0	0	0	112.5
320	L	23.6	Very low	24.5	Very low	161 Å²	161	138.6 Å²	138.6	84%	0.843	78%	0.779	S	S	*	*			trans	50.6	132.5	150.8	-59	171.5	0	0	0	123.8
321	L	24.6	Very low	24.5	Very low	162 Å²	162	142.4 Å²	142.4	85%	0.848	78%	0.777	S	S	*	*			trans	-89	164.8	149.5	-75.8	162.6	0	0	0	110.8
322	P	30.2	Very low	24.8	Very low	131 Å²	131	142 Å²	142	85%	0.851	77%	0.774	S	S	*	*			trans	-122.8	179.2	137	35.2	-25	0	0	0	112.5
323	D	24.2	Very low	25.2	Very low	134 Å²	134	142.5 Å²	142.5	72%	0.717	78%	0.775	S	S	*	*			trans	-131	161.1	-152.1	-163.4	-0.6	0	0	0	114.1
324	Q	26	Very low	25.3	Very low	166 Å²	166	142.4 Å²	142.4	78%	0.776	77%	0.774	S	S	*	*			trans	66.5	156.7	160.8	-85.5	159.6	71.9	0	0	119.3
325	A	23.5	Very low	25.4	Very low	68 Å²	68	144 Å²	144	56%	0.562	78%	0.782	S	S	*	*			cis	-157.7	156.2	4.1	0	0	0	0	0	113.5
326	R	24.8	Very low	25.3	Very low	227 Å²	227	141 Å²	141	86%	0.857	78%	0.78	S	S	*	*			trans	62.2	138.9	163.7	-56.7	163.2	-155.7	-90.5	0.4	115.8
327	G	21.5	Very low	25.4	Very low	72 Å²	72	145.8 Å²	145.8	74%	0.742	79%	0.791	S	S	*	*			cis	162.2	178.1	6.4	0	0	0	0	0	109.3
328	E	22.4	Very low	25.9	Very low	167 Å²	167	145.6 Å²	145.6	78%	0.78	79%	0.79	S	S	*	*			cis	-148.3	-169	-7.8	-61.1	-164.5	167.1	0	0	108.3
329	V	26	Very low	25.8	Very low	134 Å²	134	147.9 Å²	147.9	81%	0.812	79%	0.792	S	S	*	*			trans	-136.4	131.3	-170.2	-174.8	0	0	0	0	113.2
330	P	32.5	Very low	25.9	Very low	112 Å²	112	147.9 Å²	147.9	73%	0.727	79%	0.787	S	S	*	*				-140.8	157.6	125.9	36.4	-22.7	0	0	0	112.9
331	W	21.3	Very low	26.2	Very low	235 Å²	235	150.6 Å²	150.6	89%	0.89	79%	0.786	S	S	*	*			cis	-161.2	172.5	-2.9	-120	23.9	0	0	0	109.3
332	S	27.6	Very low	26.2	Very low	107 Å²	107	152.3 Å²	152.3	75%	0.748	79%	0.79	S	S	*	*			trans	-140.1	151.7	165.6	-67.1	0	0	0	0	109.9
333	P	31.4	Very low	26	Very low	122 Å²	122	154.2 Å²	154.2	79%	0.792	79%	0.787	S	S	*	*			trans	-119.4	107.4	155.6	14.6	6.4	0	0	0	112.1
334	E	24.5	Very low	26	Very low	164 Å²	164	150.7 Å²	150.7	77%	0.766	78%	0.783	S	S	*	*				24.1	117.6	120.4	-57.2	-146.9	131.6	0	0	119.2
335	L	25.3	Very low	25.8	Very low	160 Å²	160	149.9 Å²	149.9	84%	0.838	78%	0.784	S	S	*	*				86.5	118.7	89.2	-72.6	175.6	0	0	0	115.1
336	G	21.8	Very low	25.8	Very low	79 Å²	79	159 Å²	159	81%	0.814	80%	0.804	S	S	*	*			trans	-144.9	135.3	160.6	0	0	0	0	0	109.2
337	R	24.3	Very low	25.8	Very low	249 Å²	249	152.3 Å²	152.3	94%	0.94	80%	0.797	S	S	*	*			trans	-109.2	-175.5	-174.1	-125.4	-151.7	-104.8	-149.7	-3.8	112.1
338	P	41.3	Very low	26.7	Very low	111 Å²	111	154.5 Å²	154.5	72%	0.721	80%	0.798	S	S	*	*			trans	-94.7	170	-139.9	42.3	-36.3	0	0	0	113.8
339	R	23.3	Very low	26.9	Very low	214 Å²	214	152.2 Å²	152.2	81%	0.808	80%	0.797	S	S	*	*			trans	-158.9	140.4	144.4	-172	158	-92.8	-92.8	9.1	114.1
340	D	24.1	Very low	27.2	Very low	130 Å²	130	152 Å²	152	70%	0.695	80%	0.799	S	S	*	*			trans	49.1	147	155	-58.8	-21.9	0	0	0	125
341	R	30.1	Very low	27.1	Very low	218 Å²	218	156.2 Å²	156.2	82%	0.823	81%	0.809	S	S	*	*			trans	-102.4	132.4	172.4	156.8	-166.2	179.9	178.6	1.1	107.7
342	Q	24.5	Very low	27.2	Very low	199 Å²	199	148.9 Å²	148.9	93%	0.93	81%	0.806	S	S	*	*			trans	-140.5	164.6	162.4	-111.1	175.3	28.2	0	0	111.7
343	Q	26	Very low	27	Very low	170 Å²	170	146.9 Å²	146.9	79%	0.794	80%	0.802	S	S	*	*			trans	-142.9	133.3	-161.8	179.5	171.6	-14	0	0	108.7
344	G	23.8	Very low	26.8	Very low	60 Å²	60	149.9 Å²	149.9	62%	0.619	81%	0.808	S	S	*	*			trans	-176.7	118.6	174.7	0	0	0	0	0	106.9
345	D	21.9	Very low	26.8	Very low	150 Å²	150	150.8 Å²	150.8	80%	0.802	81%	0.812	S	S	*	*				79.4	106.2	68.1	-76	-50.9	0	0	0	112.5
346	W	23.6	Very low	26.8	Very low	260 Å²	260	151.6 Å²	151.6	99%	0.985	81%	0.812	S	S	*	*			trans	-150.8	127.4	146	-96	103.9	0	0	0	109.3
347	A	23.8	Very low	27	Very low	85 Å²	85	152.7 Å²	152.7	70%	0.702	81%	0.813	S	S	*	*			trans	-106.9	171.6	-178.1	0	0	0	0	0	111
348	P	40.5	Very low	26.9	Very low	119 Å²	119	149 Å²	149	77%	0.773	81%	0.811	S	S	*	*			trans	-99.6	168.3	-158.8	38.9	-36.9	0	0	0	115.7
349	P	27.9	Very low	26.1	Very low	118 Å²	118	148.9 Å²	148.9	77%	0.766	82%	0.82	S	S	*	*			trans	-97	165.6	161.8	41.7	-34.9	0	0	0	111.1
350	P	32.4	Very low	26	Very low	130 Å²	130	142 Å²	142	84%	0.844	82%	0.816	S	S	*	*				-124	172.8	-96.1	19.7	3.7	0	0	0	114.7
351	E	29.1	Very low	26	Very low	200 Å²	200	140.7 Å²	140.7	94%	0.935	82%	0.823	S	S	*	*			trans	-87.5	162.5	177.2	-63.7	-168.7	147.7	0	0	114.4
352	G	24.1	Very low	25.6	Very low	81 Å²	81	135.7 Å²	135.7	84%	0.835	82%	0.821	S	S	*	*			trans	168.8	117.4	160.9	0	0	0	0	0	111.3
353	G	24	Very low	25.7	Very low	65 Å²	65	132.3 Å²	132.3	67%	0.67	82%	0.819	S	S	*	*			cis	173.6	171.7	-6.7	0	0	0	0	0	110.5
354	M	25.5	Very low	25.6	Very low	186 Å²	186	127.7 Å²	127.7	92%	0.916	82%	0.817	S	S	*	*			trans	56.9	149.6	168.5	84	-162.8	179.8	0	0	118.1
355	E	25.1	Very low	26	Very low	182 Å²	182	136.6 Å²	136.6	85%	0.85	83%	0.832	S	S	*	*			cis	-148.2	-172.7	1.2	-143.7	168.9	-179.5	0	0	111.8
356	Q	26.1	Very low	26	Very low	178 Å²	178	138.7 Å²	138.7	83%	0.832	84%	0.838	S	S	*	*			trans	-100.2	152.8	-164	-55.4	175.1	10.1	0	0	114.7
357	A	24.5	Very low	26.2	Very low	102 Å²	102	134.5 Å²	134.5	84%	0.843	83%	0.833	S	S	*	*			trans	-152.5	140.9	154.3	0	0	0	0	0	110.9
358	L	23.6	Very low	26.3	Very low	170 Å²	170	134.1 Å²	134.1	89%	0.89	84%	0.838	S	S	*	*			trans	-122.5	122	-173.7	-79.1	166.8	0	0	0	112.8
359	A	24.1	Very low	25.5	Very low	109 Å²	109	139.5 Å²	139.5	90%	0.901	84%	0.843	S	S	*	*			trans	-171.1	157.8	159.3	0	0	0	0	0	109
360	G	21.8	Very low	25.5	Very low	70 Å²	70	139.4 Å²	139.4	72%	0.722	84%	0.842	S	S	*	*			cis	163.9	77.2	-3.5	0	0	0	0	0	113.9
361	A	22.6	Very low	25.2	Very low	102 Å²	102	142.6 Å²	142.6	84%	0.843	84%	0.843	S	S	*	*			trans	67.4	171.7	161.2	0	0	0	0	0	121.1
362	S	22.1	Very low	25	Very low	114 Å²	114	141.1 Å²	141.1	80%	0.797	84%	0.836	S	S	*	*			trans	66.4	99	161.8	35.4	0	0	0	0	121.3
363	S	26.8	Very low	25.4	Very low	127 Å²	127	144.7 Å²	144.7	89%	0.888	84%	0.835	S	S	*	*			trans	-13.9	122.8	137.6	164	0	0	0	0	117.2
364	G	23.9	Very low	25.6	Very low	73 Å²	73	149.2 Å²	149.2	75%	0.753	84%	0.838	S	S	*	*			trans	-137.9	130.1	158.8	0	0	0	0	0	110.9
365	R	31.7	Very low	25.9	Very low	247 Å²	247	145.6 Å²	145.6	93%	0.932	83%	0.829	S	S	*	*			trans	-85.1	115.2	170.2	-78.4	-179.1	173.1	-179.4	-1.6	109.1
366	E	23.4	Very low	26.5	Very low	195 Å²	195	145.1 Å²	145.1	91%	0.911	82%	0.824	S	S	*	*			trans	-100.4	143.1	154.5	-76.8	-149.2	104.7	0	0	110.9
367	L	27.4	Very low	27.3	Very low	171 Å²	171	146.5 Å²	146.5	90%	0.895	83%	0.827	S	S	*	*			trans	-79.5	145.9	-179.2	-69.6	164.8	0	0	0	110.4	R369	L367-R369 PolarHBondContact O-N 3.17Å
368	G	25.5	Very low	28.8	Very low	77 Å²	77	145 Å²	145	79%	0.794	80%	0.804	S	S	*	*			trans	-62.3	110.1	-171	0	0	0	0	0	113.5
369	R	24.8	Very low	30.3	Very low	233 Å²	233	139.5 Å²	139.5	88%	0.879	77%	0.774	S	S	*	*			trans	-55.9	130.3	167.1	-159.5	-178.8	-156.6	-155.4	6.4	109.3	L367 K371	L367-R369 PolarHBondContact O-N 3.17Å; R369-K371 PolarHBondContact O-N 2.8Å
370	P	26.9	Very low	31.7	Very low	115 Å²	115	139.3 Å²	139.3	75%	0.747	76%	0.758	S	S	*	*			trans	-56.4	130.5	179	-26.8	35.1	0	0	0	111.6	E372	P370-E372 PolarHBondContact O-N 3.22Å; P370-E372 VanDerWaalsContact O-N 3.13Å
371	K	26	Very low	33.3	Very low	198 Å²	198	136 Å²	136	86%	0.861	72%	0.723	S	S	*	*			trans	-72.4	105.1	172.1	-90.6	-176.7	172.7	176.2	0	109.3	R369 L373	R369-K371 PolarHBondContact O-N 2.8Å; K371-L373 PolarHBondContact O-N 3.39Å
372	E	25.9	Very low	34.8	Very low	169 Å²	169	136.3 Å²	136.3	79%	0.79	72%	0.716	S	S	*	*			trans	-52.2	126.4	169.7	-64.5	-177.8	123.5	0	0	110.4	P370 Q374	P370-E372 PolarHBondContact O-N 3.22Å; P370-E372 VanDerWaalsContact O-N 3.13Å; E372-Q374 PolarHBondContact O-N 3.27Å
373	L	31.6	Very low	36.5	Very low	156 Å²	156	135.9 Å²	135.9	82%	0.817	71%	0.705	S	S	*	*			trans	-72.1	99.7	172.8	-77.9	92.9	0	0	0	108.9	K371	K371-L373 PolarHBondContact O-N 3.39Å
374	Q	28.1	Very low	37.9	Very low	159 Å²	159	132.2 Å²	132.2	74%	0.743	68%	0.678	S	S	*	*			trans	-44.2	127.6	170.7	-73.5	-70.8	-49.7	0	0	110.5	E372 K376	E372-Q374 PolarHBondContact O-N 3.27Å; Q374-K376 PolarHBondContact O-N 2.92Å
375	P	32.5	Very low	39.2	Very low	110 Å²	110	130.7 Å²	130.7	71%	0.714	66%	0.663	S	S	*	*			trans	-63.8	127.4	-167.9	23.4	-33.3	0	0	0	110.9	K377	P375-K377 PolarHBondContact O-N 3.45Å
376	K	37.9	Very low	40.2	Very low	173 Å²	173	122.9 Å²	122.9	75%	0.752	64%	0.636	S	S	*	*			trans	-57	131.5	167.8	-68.2	163.3	-175.3	161.5	0	107.1	Q374 L378	Q374-K376 PolarHBondContact O-N 2.92Å; K376-L378 WeakPolarHBondContact O-CG 3.31Å; K376-L378 PolarHBondContact O-N 3.14Å
377	K	43	Very low	41.4	Very low	207 Å²	207	117.7 Å²	117.7	90%	0.9	61%	0.614	S	S	*	*			trans	-67.3	97	177.8	-166.1	176.2	-174.1	-179	0	109.1	P375	P375-K377 PolarHBondContact O-N 3.45Å
378	L	54.2	Low	42.8	Very low	69 Å²	69	111.6 Å²	111.6	36%	0.361	58%	0.58	S	S	.	*			trans	-83.8	147.7	-177.9	-69.9	147.4	0	0	0	109.6	K376 N387 F388	K376-L378 WeakPolarHBondContact O-CG 3.31Å; K376-L378 PolarHBondContact O-N 3.14Å; L378-N387 HydrophobicContact CB-CB 4.08Å; L378-N387 WeakPolarHBondContact CB-OD1 3.38Å; L378-N387 HydrophobicContact CD1-CB 3.98Å; L378-N387 HydrophobicContact CD2-CB 4.22Å; L378-N387 HydrophobicContact CG-CB 4.29Å; L378-F388 CarbonylContact C-O 3.59Å; L378-F388 WeakPolarHBondContact CA-O 3.22Å
379	H	56	Low	43.7	Very low	56 Å²	56	112.2 Å²	112.2	26%	0.259	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.8	107.2	168.4	-67.6	-100.6	0	0	0	107.2	F388 N390 N391 L394	H379-F388 HydrophobicContact CB-CB 4.36Å; H379-F388 PolarHBondContact N-O 2.9Å; H379-F388 WeakPolarHBondContact O-CB 3.17Å; H379-F388 WeakPolarHBondContact O-CD2 3.25Å; H379-F388 PolarHBondContact O-N 3.24Å; H379-N390 VanDerWaalsContact CD2-C 3.45Å; H379-N390 VanDerWaalsContact CD2-CA 3.49Å; H379-N390 WeakPolarHBondContact CD2-CA 3.47Å; H379-N391 PolarHBondContact NE2-N 2.86Å; H379-L394 HydrophobicContact CB-CB 4.09Å; H379-L394 HydrophobicContact CB-CD2 3.83Å
380	L	52.6	Low	45	Very low	105 Å²	105	103.9 Å²	103.9	55%	0.55	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	143	177	-78.9	73.8	0	0	0	110.3	N387 L394	L380-N387 WeakPolarHBondContact CD1-OD1 3.24Å; L380-N387 WeakPolarHBondContact CG-OD1 3.48Å; L380-L394 WeakPolarHBondContact O-CD2 3.45Å
381	C	56.2	Low	46.1	Very low	1 Å²	1	101 Å²	101	1%	0.007	52%	0.524	C	S	.	.			trans	-81.5	122.7	165	-169.2	0	0	0	0	110.4	L383 C384 G385 K386 F388 L394 H397 H401	C381-L383 PolarHBondContact O-N 3.07Å; C381-C384 PolarHBondContact O-N 3.35Å; C381-G385 WeakPolarHBondContact O-CA 3.5Å; C381-G385 PolarHBondContact O-N 3.15Å; C381-K386 PolarHBondContact N-O 2.77Å; C381-F388 HydrophobicContact CB-CE2 4.31Å; C381-L394 HydrophobicContact CB-CD1 3.65Å; C381-H397 WeakPolarHBondContact CB-NE2 3.41Å; C381-H397 PolarHBondContact SG-NE2 3.18Å; C381-H397 VanDerWaalsContact SG-NE2 3.41Å; C381-H401 PolarHBondContact SG-CD2 2.74Å; C381-H401 PolarHBondContact SG-NE2 2.89Å
382	P	53.3	Low	47.5	Very low	107 Å²	107	94.4 Å²	94.4	70%	0.695	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-11.4	-179.6	29.2	-35.7	0	0	0	113.5
383	L	57.8	Low	48.8	Very low	105 Å²	105	88.3 Å²	88.3	55%	0.55	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-16.6	-177.8	-62.3	174.3	0	0	0	113.8	C381 H401	C381-L383 PolarHBondContact O-N 3.07Å; L383-H401 HydrophobicContact CB-CB 4.41Å; L383-H401 HydrophobicContact CD1-CB 3.54Å
384	C	57.6	Low	50	Low	50 Å²	50	81.4 Å²	81.4	34%	0.338	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.5	4.7	179.8	71.7	0	0	0	0	115.8	C381 K386 H397 H401	C381-C384 PolarHBondContact O-N 3.35Å; C384-K386 PolarHBondContact O-N 2.79Å; C384-K386 VanDerWaalsContact SG-CB 3.58Å; C384-K386 WeakPolarHBondContact SG-CG 3.33Å; C384-H397 VanDerWaalsContact SG-CE1 3.53Å; C384-H397 PolarHBondContact SG-NE2 3.34Å; C384-H397 VanDerWaalsContact SG-NE2 3.37Å; C384-H401 PolarHBondContact SG-CE1 3.03Å; C384-H401 PolarHBondContact SG-NE2 3.23Å
385	G	50.5	Low	51.5	Low	41 Å²	41	77.3 Å²	77.3	42%	0.423	42%	0.422	S	S	.	.			trans	69.9	-5.1	-179.7	0	0	0	0	0	116.4	C381	C381-G385 WeakPolarHBondContact O-CA 3.5Å; C381-G385 PolarHBondContact O-N 3.15Å
386	K	53.7	Low	52.6	Low	83 Å²	83	78.4 Å²	78.4	36%	0.361	41%	0.412	S	S	.	.			trans	-61.2	144.1	-179.5	-66.5	174.2	-170.9	173.9	0	111	C381 C384 F388 H429	C381-K386 PolarHBondContact N-O 2.77Å; C384-K386 PolarHBondContact O-N 2.79Å; C384-K386 VanDerWaalsContact SG-CB 3.58Å; C384-K386 WeakPolarHBondContact SG-CG 3.33Å; K386-F388 VanDerWaalsContact C-CE2 3.44Å; K386-F388 HydrophobicContact CB-CE2 3.7Å; K386-F388 HydrophobicContact CB-CZ 3.92Å; K386-F388 WeakPolarHBondContact O-CD2 3.27Å; K386-F388 VanDerWaalsContact O-CE2 3.26Å; K386-F388 WeakPolarHBondContact O-CE2 3.28Å; K386-H429 PolarHBondContact NZ-CD2 3.2Å; K386-H429 PolarHBondContact NZ-CE1 3.24Å; K386-H429 PolarHBondContact NZ-NE2 2.82Å; K386-H429 PolarHBondContact NZ-O 2.99Å; K386-H429 VanDerWaalsContact NZ-O 3.16Å
387	N	47.8	Very low	53.7	Low	86 Å²	86	70.5 Å²	70.5	46%	0.46	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	125.9	-164.2	-93.7	-68	0	0	0	113.1	L378 L380	L378-N387 HydrophobicContact CB-CB 4.08Å; L378-N387 WeakPolarHBondContact CB-OD1 3.38Å; L378-N387 HydrophobicContact CD1-CB 3.98Å; L378-N387 HydrophobicContact CD2-CB 4.22Å; L378-N387 HydrophobicContact CG-CB 4.29Å; L380-N387 WeakPolarHBondContact CD1-OD1 3.24Å; L380-N387 WeakPolarHBondContact CG-OD1 3.48Å
388	F	56.2	Low	54.5	Low	43 Å²	43	63.6 Å²	63.6	19%	0.189	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	143.4	-172.4	-62.2	-84.6	0	0	0	114.5	L378 H379 C381 K386 N390 N393 L394 H397	L378-F388 CarbonylContact C-O 3.59Å; L378-F388 WeakPolarHBondContact CA-O 3.22Å; H379-F388 HydrophobicContact CB-CB 4.36Å; H379-F388 PolarHBondContact N-O 2.9Å; H379-F388 WeakPolarHBondContact O-CB 3.17Å; H379-F388 WeakPolarHBondContact O-CD2 3.25Å; H379-F388 PolarHBondContact O-N 3.24Å; C381-F388 HydrophobicContact CB-CE2 4.31Å; K386-F388 VanDerWaalsContact C-CE2 3.44Å; K386-F388 HydrophobicContact CB-CE2 3.7Å; K386-F388 HydrophobicContact CB-CZ 3.92Å; K386-F388 WeakPolarHBondContact O-CD2 3.27Å; K386-F388 VanDerWaalsContact O-CE2 3.26Å; K386-F388 WeakPolarHBondContact O-CE2 3.28Å; F388-N390 VanDerWaalsContact C-N 3.33Å; F388-N390 PolarHBondContact O-N 3.13Å; F388-N393 HydrophobicContact CB-CB 4.39Å; F388-N393 HydrophobicContact CD1-CB 4.18Å; F388-L394 HydrophobicContact CB-CB 4.13Å; F388-L394 HydrophobicContact CD2-CB 4.31Å; F388-L394 HydrophobicContact CD2-CD1 4Å; F388-L394 HydrophobicContact CE2-CD1 4.46Å; F388-L394 HydrophobicContact CG-CB 4.3Å; F388-H397 AromaticContact CD2-CD2 3.88Å; F388-H397 HydrophobicContact CE1-CB 3.85Å; F388-H397 AromaticContact CE1-CG 3.91Å; F388-H397 HydrophobicContact CE2-CB 4.26Å; F388-H397 AromaticContact CE2-CD2 2.98Å; F388-H397 WeakPolarHBondContact CE2-CD2 3.42Å; F388-H397 AromaticContact CE2-CG 3.65Å; F388-H397 AromaticContact CE2-NE2 3.38Å; F388-H397 WeakPolarHBondContact CE2-NE2 3.38Å; F388-H397 HydrophobicContact CZ-CB 3.71Å; F388-H397 AromaticContact CZ-CD2 3.12Å; F388-H397 WeakPolarHBondContact CZ-CD2 3.06Å; F388-H397 AromaticContact CZ-CE1 3.95Å; F388-H397 AromaticContact CZ-CG 3.24Å; F388-H397 AromaticContact CZ-ND1 3.79Å; F388-H397 AromaticContact CZ-NE2 3.56Å
389	S	45.2	Very low	54.9	Low	90 Å²	90	68.2 Å²	68.2	63%	0.629	36%	0.361	S	S	*	.	S	Bend	trans	-77.8	-10	-175.5	58.6	0	0	0	0	115.4
390	N	52.2	Low	55.2	Low	58 Å²	58	65.7 Å²	65.7	31%	0.31	35%	0.35	S	S	.	.	S	Bend	trans	-160.4	162.3	172.7	62.5	45.8	0	0	0	110.8	H379 F388 S392 N393 L394	H379-N390 VanDerWaalsContact CD2-C 3.45Å; H379-N390 VanDerWaalsContact CD2-CA 3.49Å; H379-N390 WeakPolarHBondContact CD2-CA 3.47Å; F388-N390 VanDerWaalsContact C-N 3.33Å; F388-N390 PolarHBondContact O-N 3.13Å; N390-S392 VanDerWaalsContact C-N 3.34Å; N390-S392 PolarHBondContact O-N 3.42Å; N390-S392 PolarHBondContact OD1-N 2.99Å; N390-N393 PolarHBondContact ND2-ND2 3.25Å; N390-N393 PolarHBondContact O-N 3.32Å; N390-N393 VanDerWaalsContact OD1-CB 3.31Å; N390-N393 WeakPolarHBondContact OD1-CB 3.43Å; N390-N393 VanDerWaalsContact OD1-CG 3.28Å; N390-N393 PolarHBondContact OD1-N 3.17Å; N390-N393 PolarHBondContact OD1-ND2 3.32Å; N390-L394 PolarHBondContact O-N 3.31Å
391	N	50.7	Low	55.6	Low	54 Å²	54	61.2 Å²	61.2	29%	0.289	33%	0.326	S	S	.	.	H	α-helix	trans	-64	-35.1	-177.4	-153.7	28.2	0	0	0	113.1	H379 N393 L394 I395	H379-N391 PolarHBondContact NE2-N 2.86Å; N391-N393 VanDerWaalsContact C-N 3.32Å; N391-N393 PolarHBondContact O-N 3.2Å; N391-L394 WeakPolarHBondContact O-CB 3.4Å; N391-L394 PolarHBondContact O-N 3.42Å; N391-L394 VanDerWaalsContact O-N 3.14Å; N391-I395 WeakPolarHBondContact O-CG1 3.48Å; N391-I395 PolarHBondContact O-N 3.32Å
392	S	54.7	Low	55.8	Low	61 Å²	61	64 Å²	64	43%	0.427	35%	0.349	S	S	.	.	H	α-helix	trans	-64.9	-35.1	-179.9	-44.7	0	0	0	0	112.9	N390 R396	N390-S392 VanDerWaalsContact C-N 3.34Å; N390-S392 PolarHBondContact O-N 3.42Å; N390-S392 PolarHBondContact OD1-N 2.99Å; S392-R396 PolarHBondContact O-N 3.06Å; S392-R396 VanDerWaalsContact O-N 3.09Å
393	N	53.1	Low	55.9	Low	41 Å²	41	59 Å²	59	22%	0.219	32%	0.317	C	S	.	.	H	α-helix	trans	-70.9	-39	172.1	-76	-26.5	0	0	0	111.4	F388 N390 N391 R396 H397	F388-N393 HydrophobicContact CB-CB 4.39Å; F388-N393 HydrophobicContact CD1-CB 4.18Å; N390-N393 PolarHBondContact ND2-ND2 3.25Å; N390-N393 PolarHBondContact O-N 3.32Å; N390-N393 VanDerWaalsContact OD1-CB 3.31Å; N390-N393 WeakPolarHBondContact OD1-CB 3.43Å; N390-N393 VanDerWaalsContact OD1-CG 3.28Å; N390-N393 PolarHBondContact OD1-N 3.17Å; N390-N393 PolarHBondContact OD1-ND2 3.32Å; N391-N393 VanDerWaalsContact C-N 3.32Å; N391-N393 PolarHBondContact O-N 3.2Å; N393-R396 PolarHBondContact OD1-NH2 3.48Å; N393-H397 WeakPolarHBondContact O-CB 3.47Å; N393-H397 PolarHBondContact O-N 2.95Å
394	L	57.2	Low	55.6	Low	10 Å²	10	56.4 Å²	56.4	5%	0.052	30%	0.302	C	S	.	.	H	α-helix	trans	-60.3	-50.9	172.8	170	59.7	0	0	0	110.9	H379 L380 C381 F388 N390 N391 R396 H397 Q398	H379-L394 HydrophobicContact CB-CB 4.09Å; H379-L394 HydrophobicContact CB-CD2 3.83Å; L380-L394 WeakPolarHBondContact O-CD2 3.45Å; C381-L394 HydrophobicContact CB-CD1 3.65Å; F388-L394 HydrophobicContact CB-CB 4.13Å; F388-L394 HydrophobicContact CD2-CB 4.31Å; F388-L394 HydrophobicContact CD2-CD1 4Å; F388-L394 HydrophobicContact CE2-CD1 4.46Å; F388-L394 HydrophobicContact CG-CB 4.3Å; N390-L394 PolarHBondContact O-N 3.31Å; N391-L394 WeakPolarHBondContact O-CB 3.4Å; N391-L394 PolarHBondContact O-N 3.42Å; N391-L394 VanDerWaalsContact O-N 3.14Å; L394-R396 VanDerWaalsContact C-N 3.33Å; L394-R396 PolarHBondContact O-N 3.37Å; L394-H397 CarbonylContact O-C 3.29Å; L394-H397 WeakPolarHBondContact O-CA 3.43Å; L394-H397 WeakPolarHBondContact O-CB 3.2Å; L394-H397 PolarHBondContact O-N 2.89Å; L394-Q398 HydrophobicContact CD1-CG 3.77Å; L394-Q398 HydrophobicContact CG-CG 4.24Å; L394-Q398 WeakPolarHBondContact O-CG 3.14Å; L394-Q398 PolarHBondContact O-N 2.78Å
395	I	58.7	Low	55.4	Low	74 Å²	74	63.5 Å²	63.5	38%	0.379	32%	0.322	S	S	.	.	H	α-helix	trans	-61.6	-39.5	-179.6	-67.9	166.3	0	0	0	111.4	N391 H397 Q398 R399	N391-I395 WeakPolarHBondContact O-CG1 3.48Å; N391-I395 PolarHBondContact O-N 3.32Å; I395-H397 VanDerWaalsContact C-N 3.3Å; I395-H397 PolarHBondContact O-N 2.84Å; I395-Q398 PolarHBondContact O-N 3.12Å; I395-R399 PolarHBondContact O-N 2.81Å
396	R	55.7	Low	55.4	Low	132 Å²	132	67.1 Å²	67.1	50%	0.498	33%	0.33	S	S	.	.	H	α-helix	trans	-63.3	-36.5	172.7	-174.2	177.3	65	-131.6	-13.3	112	S392 N393 L394 L425	S392-R396 PolarHBondContact O-N 3.06Å; S392-R396 VanDerWaalsContact O-N 3.09Å; N393-R396 PolarHBondContact OD1-NH2 3.48Å; L394-R396 VanDerWaalsContact C-N 3.33Å; L394-R396 PolarHBondContact O-N 3.37Å; R396-L425 HydrophobicContact CG-CD2 4.36Å
397	H	61.6	Low	55	Low	8 Å²	8	64.1 Å²	64.1	4%	0.037	32%	0.32	C	S	.	.	H	α-helix	trans	-76.4	-33.5	177.3	156	65.5	0	0	0	113.1	C381 C384 F388 N393 L394 I395 R399 I400 H401 H429	C381-H397 WeakPolarHBondContact CB-NE2 3.41Å; C381-H397 PolarHBondContact SG-NE2 3.18Å; C381-H397 VanDerWaalsContact SG-NE2 3.41Å; C384-H397 VanDerWaalsContact SG-CE1 3.53Å; C384-H397 PolarHBondContact SG-NE2 3.34Å; C384-H397 VanDerWaalsContact SG-NE2 3.37Å; F388-H397 AromaticContact CD2-CD2 3.88Å; F388-H397 HydrophobicContact CE1-CB 3.85Å; F388-H397 AromaticContact CE1-CG 3.91Å; F388-H397 HydrophobicContact CE2-CB 4.26Å; F388-H397 AromaticContact CE2-CD2 2.98Å; F388-H397 WeakPolarHBondContact CE2-CD2 3.42Å; F388-H397 AromaticContact CE2-CG 3.65Å; F388-H397 AromaticContact CE2-NE2 3.38Å; F388-H397 WeakPolarHBondContact CE2-NE2 3.38Å; F388-H397 HydrophobicContact CZ-CB 3.71Å; F388-H397 AromaticContact CZ-CD2 3.12Å; F388-H397 WeakPolarHBondContact CZ-CD2 3.06Å; F388-H397 AromaticContact CZ-CE1 3.95Å; F388-H397 AromaticContact CZ-CG 3.24Å; F388-H397 AromaticContact CZ-ND1 3.79Å; F388-H397 AromaticContact CZ-NE2 3.56Å; N393-H397 WeakPolarHBondContact O-CB 3.47Å; N393-H397 PolarHBondContact O-N 2.95Å; L394-H397 CarbonylContact O-C 3.29Å; L394-H397 WeakPolarHBondContact O-CA 3.43Å; L394-H397 WeakPolarHBondContact O-CB 3.2Å; L394-H397 PolarHBondContact O-N 2.89Å; I395-H397 VanDerWaalsContact C-N 3.3Å; I395-H397 PolarHBondContact O-N 2.84Å; H397-R399 PolarHBondContact O-N 3.36Å; H397-I400 HydrophobicContact CB-CD1 4.29Å; H397-I400 WeakPolarHBondContact O-CA 3.42Å; H397-I400 WeakPolarHBondContact O-CB 3.42Å; H397-I400 WeakPolarHBondContact O-CG1 3.34Å; H397-I400 PolarHBondContact O-N 3.23Å; H397-H401 AromaticContact CE1-CE1 3.72Å; H397-H401 AromaticContact CE1-NE2 3.2Å; H397-H401 PolarHBondContact CE1-NE2 3.39Å; H397-H401 AromaticContact NE2-NE2 3.29Å; H397-H401 PolarHBondContact NE2-NE2 2.82Å; H397-H429 AromaticContact CE1-CD2 3.63Å; H397-H429 AromaticContact CE1-NE2 3.31Å; H397-H429 PolarHBondContact CE1-NE2 2.94Å; H397-H429 VanDerWaalsContact CE1-NE2 3.31Å; H397-H429 AromaticContact ND1-CD2 3.71Å; H397-H429 AromaticContact ND1-NE2 3.87Å
398	Q	59.3	Low	54.9	Low	62 Å²	62	68.3 Å²	68.3	29%	0.29	34%	0.339	S	S	.	.	H	α-helix	trans	-62.6	-28.1	174.4	-75.8	169.1	-40	0	0	112.4	L394 I395 I400 H401 A402	L394-Q398 HydrophobicContact CD1-CG 3.77Å; L394-Q398 HydrophobicContact CG-CG 4.24Å; L394-Q398 WeakPolarHBondContact O-CG 3.14Å; L394-Q398 PolarHBondContact O-N 2.78Å; I395-Q398 PolarHBondContact O-N 3.12Å; Q398-I400 PolarHBondContact O-N 3.4Å; Q398-H401 PolarHBondContact O-N 2.87Å; Q398-H401 VanDerWaalsContact O-N 3.12Å; Q398-A402 PolarHBondContact O-N 2.87Å
399	R	63.3	Low	54.4	Low	165 Å²	165	70 Å²	70	62%	0.623	37%	0.368	S	S	*	.	H	α-helix	trans	-64.9	-20.8	169.5	-65.4	174.3	-175.8	-156.2	-3.6	113.3	I395 H397 A402 A403 F422	I395-R399 PolarHBondContact O-N 2.81Å; H397-R399 PolarHBondContact O-N 3.36Å; R399-A402 PolarHBondContact O-N 3.04Å; R399-A403 PolarHBondContact O-N 2.88Å; R399-A403 VanDerWaalsContact O-N 3.1Å; R399-F422 HydrophobicContact CB-CE2 4.41Å
400	I	61.3	Low	54.6	Low	4 Å²	4	69.2 Å²	69.2	2%	0.021	36%	0.359	C	S	.	.	H	α-helix	trans	-72.3	-37.6	171.9	-48.4	169.6	0	0	0	109.7	H397 Q398 A402 A403 E404 L425 H429	H397-I400 HydrophobicContact CB-CD1 4.29Å; H397-I400 WeakPolarHBondContact O-CA 3.42Å; H397-I400 WeakPolarHBondContact O-CB 3.42Å; H397-I400 WeakPolarHBondContact O-CG1 3.34Å; H397-I400 PolarHBondContact O-N 3.23Å; Q398-I400 PolarHBondContact O-N 3.4Å; I400-A402 VanDerWaalsContact C-N 3.3Å; I400-A402 PolarHBondContact O-N 3.19Å; I400-A403 CarbonylContact O-C 3.51Å; I400-A403 WeakPolarHBondContact O-CA 3.45Å; I400-A403 WeakPolarHBondContact O-CB 3.42Å; I400-A403 PolarHBondContact O-N 3.47Å; I400-E404 WeakPolarHBondContact O-CG 3.32Å; I400-E404 PolarHBondContact O-N 3.47Å; I400-L425 HydrophobicContact CD1-CD2 3.99Å; I400-L425 HydrophobicContact CD1-CG 3.77Å; I400-H429 HydrophobicContact CD1-CB 4.38Å; I400-H429 HydrophobicContact CG2-CB 3.68Å
401	H	60.7	Low	54.4	Low	11 Å²	11	71.1 Å²	71.1	5%	0.051	37%	0.369	C	S	.	.	H	α-helix	trans	-70.4	-26.3	172.8	-59.4	-52.3	0	0	0	113.6	C381 L383 C384 H397 Q398 A403 E404 R405 H429	C381-H401 PolarHBondContact SG-CD2 2.74Å; C381-H401 PolarHBondContact SG-NE2 2.89Å; L383-H401 HydrophobicContact CB-CB 4.41Å; L383-H401 HydrophobicContact CD1-CB 3.54Å; C384-H401 PolarHBondContact SG-CE1 3.03Å; C384-H401 PolarHBondContact SG-NE2 3.23Å; H397-H401 AromaticContact CE1-CE1 3.72Å; H397-H401 AromaticContact CE1-NE2 3.2Å; H397-H401 PolarHBondContact CE1-NE2 3.39Å; H397-H401 AromaticContact NE2-NE2 3.29Å; H397-H401 PolarHBondContact NE2-NE2 2.82Å; Q398-H401 PolarHBondContact O-N 2.87Å; Q398-H401 VanDerWaalsContact O-N 3.12Å; H401-A403 VanDerWaalsContact C-N 3.3Å; H401-E404 IonicContact CE1-OE2 3.84Å; H401-E404 IonicContact CG-OE2 3.64Å; H401-E404 IonicContact ND1-OE2 3.65Å; H401-E404 PolarHBondContact ND1-OE2 2.93Å; H401-R405 WeakPolarHBondContact O-CG 3.31Å; H401-R405 PolarHBondContact O-N 3.42Å; H401-H429 AromaticContact CE1-CE1 3.39Å; H401-H429 PolarHBondContact CE1-CE1 3.18Å; H401-H429 AromaticContact CE1-NE2 3.41Å; H401-H429 PolarHBondContact CE1-NE2 2.95Å; H401-H429 AromaticContact ND1-CE1 3.8Å
402	A	60.8	Low	54.2	Low	59 Å²	59	69.2 Å²	69.2	49%	0.488	36%	0.36	S	S	.	.	H	α-helix	trans	-67.1	-35.4	167.9	0	0	0	0	0	111.2	Q398 R399 I400	Q398-A402 PolarHBondContact O-N 2.87Å; R399-A402 PolarHBondContact O-N 3.04Å; I400-A402 VanDerWaalsContact C-N 3.3Å; I400-A402 PolarHBondContact O-N 3.19Å
403	A	56.5	Low	54	Low	3 Å²	3	67.8 Å²	67.8	3%	0.025	35%	0.35	C	S	.	.	H	α-helix	trans	-73.1	-40.6	173.5	0	0	0	0	0	113.4	R399 I400 H401 R405 L406 C407 F416 F422 H426	R399-A403 PolarHBondContact O-N 2.88Å; R399-A403 VanDerWaalsContact O-N 3.1Å; I400-A403 CarbonylContact O-C 3.51Å; I400-A403 WeakPolarHBondContact O-CA 3.45Å; I400-A403 WeakPolarHBondContact O-CB 3.42Å; I400-A403 PolarHBondContact O-N 3.47Å; H401-A403 VanDerWaalsContact C-N 3.3Å; A403-R405 PolarHBondContact O-N 3.2Å; A403-L406 CarbonylContact O-C 3.59Å; A403-L406 WeakPolarHBondContact O-CA 3.23Å; A403-L406 WeakPolarHBondContact O-CB 3.44Å; A403-L406 PolarHBondContact O-N 2.86Å; A403-C407 PolarHBondContact O-N 3.2Å; A403-F416 HydrophobicContact CB-CE1 4.23Å; A403-F416 HydrophobicContact CB-CE2 3.68Å; A403-F416 HydrophobicContact CB-CZ 3.3Å; A403-F422 HydrophobicContact CB-CE1 4.06Å; A403-F422 HydrophobicContact CB-CZ 4.14Å; A403-H426 VanDerWaalsContact CB-CD2 3.47Å; A403-H426 WeakPolarHBondContact CB-CD2 3.48Å; A403-H426 WeakPolarHBondContact CB-NE2 3.39Å
404	E	51	Low	53.8	Low	50 Å²	50	72.9 Å²	72.9	23%	0.234	37%	0.373	C	S	.	.	H	α-helix	trans	-60.9	-33.4	176.8	-74.3	177.3	138.3	0	0	112.5	I400 H401 L406 C407 M408 H429 L430	I400-E404 WeakPolarHBondContact O-CG 3.32Å; I400-E404 PolarHBondContact O-N 3.47Å; H401-E404 IonicContact CE1-OE2 3.84Å; H401-E404 IonicContact CG-OE2 3.64Å; H401-E404 IonicContact ND1-OE2 3.65Å; H401-E404 PolarHBondContact ND1-OE2 2.93Å; E404-L406 PolarHBondContact O-N 3.23Å; E404-C407 PolarHBondContact O-N 3.38Å; E404-M408 VanDerWaalsContact O-CG 3.29Å; E404-M408 WeakPolarHBondContact O-CG 3.23Å; E404-M408 PolarHBondContact O-N 2.67Å; E404-H429 VanDerWaalsContact CD-CE1 3.47Å; E404-H429 VanDerWaalsContact CD-ND1 3.32Å; E404-H429 IonicContact OE1-CE1 3.4Å; E404-H429 PolarHBondContact OE1-CE1 2.95Å; E404-H429 IonicContact OE1-CG 3.58Å; E404-H429 IonicContact OE1-ND1 3.16Å; E404-H429 PolarHBondContact OE1-ND1 3.05Å; E404-H429 IonicContact OE2-CE1 3.58Å; E404-H429 PolarHBondContact OE2-CE1 2.83Å; E404-H429 VanDerWaalsContact OE2-CE1 3.31Å; E404-H429 IonicContact OE2-ND1 3.48Å; E404-L430 HydrophobicContact CG-CD2 4.28Å
405	R	53.8	Low	53.6	Low	199 Å²	199	75.7 Å²	75.7	75%	0.751	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-11.8	173.1	-68.3	177.6	105.7	96.1	1.4	113.8	H401 A403	H401-R405 WeakPolarHBondContact O-CG 3.31Å; H401-R405 PolarHBondContact O-N 3.42Å; A403-R405 PolarHBondContact O-N 3.2Å
406	L	49.3	Very low	53.3	Low	116 Å²	116	74 Å²	74	61%	0.607	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-31.3	174.2	-63.4	166.8	0	0	0	111.6	A403 E404 M408	A403-L406 CarbonylContact O-C 3.59Å; A403-L406 WeakPolarHBondContact O-CA 3.23Å; A403-L406 WeakPolarHBondContact O-CB 3.44Å; A403-L406 PolarHBondContact O-N 2.86Å; E404-L406 PolarHBondContact O-N 3.23Å; L406-M408 VanDerWaalsContact C-N 3.3Å; L406-M408 PolarHBondContact O-N 2.77Å
407	C	46.4	Very low	52.9	Low	20 Å²	20	69.7 Å²	69.7	14%	0.135	37%	0.374	C	S	.	.			trans	-80.4	6.8	177.6	-81.4	0	0	0	0	115	A403 E404 G409 C412	A403-C407 PolarHBondContact O-N 3.2Å; E404-C407 PolarHBondContact O-N 3.38Å; C407-G409 PolarHBondContact O-N 3.16Å; C407-C412 WeakPolarHBondContact CB-SG 3.38Å; C407-C412 VanDerWaalsContact SG-CA 3.58Å; C407-C412 WeakPolarHBondContact SG-CB 3.26Å; C407-C412 CovalentContact SG-SG 2.04Å; C407-C412 PolarHBondContact SG-SG 3.44Å
408	M	44.7	Very low	52.3	Low	175 Å²	175	73.5 Å²	73.5	86%	0.862	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	70.1	174.3	-64.2	-137.9	-48	0	0	111.5	E404 L406	E404-M408 VanDerWaalsContact O-CG 3.29Å; E404-M408 WeakPolarHBondContact O-CG 3.23Å; E404-M408 PolarHBondContact O-N 2.67Å; L406-M408 VanDerWaalsContact C-N 3.3Å; L406-M408 PolarHBondContact O-N 2.77Å
409	G	47	Very low	52	Low	77 Å²	77	74.6 Å²	74.6	79%	0.794	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	133.1	3.5	175.8	0	0	0	0	0	116.4	C407	C407-G409 PolarHBondContact O-N 3.16Å
410	V	48.1	Very low	51.6	Low	75 Å²	75	71 Å²	71	46%	0.455	42%	0.421	S	S	.	.	S	Bend	trans	-135.1	145.2	-174.1	-175.8	0	0	0	0	110.2	C412 I415	V410-C412 PolarHBondContact O-N 2.74Å; V410-C412 VanDerWaalsContact O-N 3.15Å; V410-I415 HydrophobicContact CB-CD1 4.08Å; V410-I415 HydrophobicContact CG1-CD1 3.97Å; V410-I415 HydrophobicContact CG1-CG1 4.14Å
411	D	49.2	Very low	51.2	Low	98 Å²	98	81.5 Å²	81.5	52%	0.524	46%	0.461	S	S	.	.			trans	-65.1	114.1	172.8	-175.8	-2.9	0	0	0	110.1	S413 E414	D411-S413 PolarHBondContact O-N 2.89Å; D411-S413 WeakPolarHBondContact OD1-CB 3.41Å; D411-S413 PolarHBondContact OD1-N 3.33Å; D411-S413 PolarHBondContact OD1-OG 2.8Å; D411-S413 WeakPolarHBondContact OD2-CB 3.38Å; D411-S413 PolarHBondContact OD2-OG 2.94Å; D411-E414 PolarHBondContact O-N 3.44Å
412	C	45.1	Very low	50.8	Low	13 Å²	13	83 Å²	83	9%	0.088	47%	0.467	C	S	.	.	H	α-helix	trans	-59.1	-15.6	177.2	-54.8	0	0	0	0	113.5	C407 V410 E414 F416 L423 H426	C407-C412 WeakPolarHBondContact CB-SG 3.38Å; C407-C412 VanDerWaalsContact SG-CA 3.58Å; C407-C412 WeakPolarHBondContact SG-CB 3.26Å; C407-C412 CovalentContact SG-SG 2.04Å; C407-C412 PolarHBondContact SG-SG 3.44Å; V410-C412 PolarHBondContact O-N 2.74Å; V410-C412 VanDerWaalsContact O-N 3.15Å; C412-E414 VanDerWaalsContact C-N 3.31Å; C412-F416 HydrophobicContact CB-CD2 4.16Å; C412-F416 HydrophobicContact CB-CE2 4.46Å; C412-F416 WeakPolarHBondContact O-CD2 3.3Å; C412-F416 PolarHBondContact O-N 3.5Å; C412-F416 VanDerWaalsContact O-N 3.07Å; C412-L423 VanDerWaalsContact O-CD2 3.27Å; C412-L423 WeakPolarHBondContact O-CD2 3.28Å; C412-H426 PolarHBondContact SG-CE1 2.93Å
413	S	51.2	Low	50.7	Low	32 Å²	32	81.3 Å²	81.3	22%	0.224	45%	0.45	C	S	.	.	H	α-helix	trans	-61.2	-37.1	172.3	-50.3	0	0	0	0	112.3	D411 G417 R427	D411-S413 PolarHBondContact O-N 2.89Å; D411-S413 WeakPolarHBondContact OD1-CB 3.41Å; D411-S413 PolarHBondContact OD1-N 3.33Å; D411-S413 PolarHBondContact OD1-OG 2.8Å; D411-S413 WeakPolarHBondContact OD2-CB 3.38Å; D411-S413 PolarHBondContact OD2-OG 2.94Å; S413-G417 WeakPolarHBondContact O-CA 3.19Å; S413-G417 PolarHBondContact O-N 3.43Å; S413-G417 VanDerWaalsContact O-N 3.08Å; S413-R427 PolarHBondContact OG-NH2 2.95Å
414	E	49.5	Very low	50.8	Low	148 Å²	148	83.3 Å²	83.3	69%	0.692	46%	0.463	S	S	*	.	H	α-helix	trans	-73.4	-48.2	176.2	-59.8	-174.4	148.4	0	0	110.7	D411 C412 F416	D411-E414 PolarHBondContact O-N 3.44Å; C412-E414 VanDerWaalsContact C-N 3.31Å; E414-F416 VanDerWaalsContact C-N 3.28Å; E414-F416 PolarHBondContact O-N 3.18Å
415	I	51.5	Low	51.1	Low	68 Å²	68	83.6 Å²	83.6	35%	0.349	47%	0.466	S	S	.	.	H	α-helix	trans	-64.1	-31.1	-176.3	-54.1	178.8	0	0	0	112.4	V410	V410-I415 HydrophobicContact CB-CD1 4.08Å; V410-I415 HydrophobicContact CG1-CD1 3.97Å; V410-I415 HydrophobicContact CG1-CG1 4.14Å
416	F	52.3	Low	51.4	Low	38 Å²	38	74.1 Å²	74.1	17%	0.167	43%	0.431	C	S	.	.	H	α-helix	trans	-121.9	13.6	-174.1	-55.2	-65.1	0	0	0	115.2	A403 C412 E414 G418 N419 F422 L423	A403-F416 HydrophobicContact CB-CE1 4.23Å; A403-F416 HydrophobicContact CB-CE2 3.68Å; A403-F416 HydrophobicContact CB-CZ 3.3Å; C412-F416 HydrophobicContact CB-CD2 4.16Å; C412-F416 HydrophobicContact CB-CE2 4.46Å; C412-F416 WeakPolarHBondContact O-CD2 3.3Å; C412-F416 PolarHBondContact O-N 3.5Å; C412-F416 VanDerWaalsContact O-N 3.07Å; E414-F416 VanDerWaalsContact C-N 3.28Å; E414-F416 PolarHBondContact O-N 3.18Å; F416-G418 PolarHBondContact O-N 3.38Å; F416-G418 VanDerWaalsContact O-N 3.08Å; F416-N419 PolarHBondContact O-N 3.48Å; F416-F422 HydrophobicContact CB-CD1 4.05Å; F416-F422 AromaticContact CD1-CD1 3.51Å; F416-F422 HydrophobicContact CD1-CD1 3.51Å; F416-F422 AromaticContact CD1-CE1 3.54Å; F416-F422 HydrophobicContact CD1-CE1 3.54Å; F416-F422 HydrophobicContact CD2-CD1 4.16Å; F416-F422 HydrophobicContact CD2-CE1 4.06Å; F416-F422 HydrophobicContact CE1-CD1 4.02Å; F416-F422 AromaticContact CE1-CE1 3.53Å; F416-F422 HydrophobicContact CE1-CE1 3.53Å; F416-F422 HydrophobicContact CE1-CZ 4.36Å; F416-F422 HydrophobicContact CE2-CE1 4.06Å; F416-F422 AromaticContact CG-CD1 3.61Å; F416-F422 HydrophobicContact CG-CD1 3.61Å; F416-F422 AromaticContact CG-CE1 3.84Å; F416-F422 HydrophobicContact CG-CE1 3.84Å; F416-F422 AromaticContact CZ-CE1 3.82Å; F416-F422 HydrophobicContact CZ-CE1 3.82Å; F416-L423 HydrophobicContact CB-CD2 3.7Å; F416-L423 HydrophobicContact CB-CG 3.78Å; F416-L423 WeakPolarHBondContact O-CD1 3.22Å; F416-L423 WeakPolarHBondContact O-CG 3.5Å
417	G	48.7	Very low	52.1	Low	43 Å²	43	72.5 Å²	72.5	44%	0.443	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.6	-43.3	-179.5	0	0	0	0	0	114.6	S413 N419	S413-G417 WeakPolarHBondContact O-CA 3.19Å; S413-G417 PolarHBondContact O-N 3.43Å; S413-G417 VanDerWaalsContact O-N 3.08Å; G417-N419 PolarHBondContact O-N 3.38Å
418	G	49.4	Very low	52.6	Low	87 Å²	87	71.9 Å²	71.9	90%	0.897	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	0.7	178.4	0	0	0	0	0	116.5	F416	F416-G418 PolarHBondContact O-N 3.38Å; F416-G418 VanDerWaalsContact O-N 3.08Å
419	N	52.6	Low	53.2	Low	85 Å²	85	64.4 Å²	64.4	46%	0.455	38%	0.376	S	S	.	.			trans	-145.7	89.2	175.4	-162	-42.6	0	0	0	113.3	F416 G417 R421 F422 L423	F416-N419 PolarHBondContact O-N 3.48Å; G417-N419 PolarHBondContact O-N 3.38Å; N419-R421 PolarHBondContact O-N 2.88Å; N419-R421 VanDerWaalsContact O-N 3.1Å; N419-R421 PolarHBondContact OD1-N 3.08Å; N419-F422 HydrophobicContact CB-CB 3.95Å; N419-F422 PolarHBondContact O-N 3.27Å; N419-F422 PolarHBondContact OD1-N 3.28Å; N419-F422 VanDerWaalsContact OD1-N 3.08Å; N419-L423 PolarHBondContact O-N 3.04Å
420	P	54.5	Low	53.8	Low	91 Å²	91	64.6 Å²	64.6	59%	0.591	36%	0.358	S	S	*	.	H	α-helix	trans	-53.6	-33.6	177.8	-29.6	36.2	0	0	0	114.2	S424	P420-S424 PolarHBondContact O-N 3.32Å; P420-S424 PolarHBondContact O-OG 2.98Å
421	R	52.2	Low	54.1	Low	223 Å²	223	63.3 Å²	63.3	84%	0.842	36%	0.359	S	S	*	.	H	α-helix	trans	-75.4	-21.3	177.6	-74.6	-176.3	172.8	167.5	-0.1	113.6	N419 L425	N419-R421 PolarHBondContact O-N 2.88Å; N419-R421 VanDerWaalsContact O-N 3.1Å; N419-R421 PolarHBondContact OD1-N 3.08Å; R421-L425 WeakPolarHBondContact O-CB 3.31Å
422	F	53.8	Low	54.3	Low	43 Å²	43	65.6 Å²	65.6	19%	0.189	37%	0.367	C	S	.	.	H	α-helix	trans	-82.3	-45.6	169.9	-167.3	-89.9	0	0	0	110.6	R399 A403 F416 N419 S424 L425 H426	R399-F422 HydrophobicContact CB-CE2 4.41Å; A403-F422 HydrophobicContact CB-CE1 4.06Å; A403-F422 HydrophobicContact CB-CZ 4.14Å; F416-F422 HydrophobicContact CB-CD1 4.05Å; F416-F422 AromaticContact CD1-CD1 3.51Å; F416-F422 HydrophobicContact CD1-CD1 3.51Å; F416-F422 AromaticContact CD1-CE1 3.54Å; F416-F422 HydrophobicContact CD1-CE1 3.54Å; F416-F422 HydrophobicContact CD2-CD1 4.16Å; F416-F422 HydrophobicContact CD2-CE1 4.06Å; F416-F422 HydrophobicContact CE1-CD1 4.02Å; F416-F422 AromaticContact CE1-CE1 3.53Å; F416-F422 HydrophobicContact CE1-CE1 3.53Å; F416-F422 HydrophobicContact CE1-CZ 4.36Å; F416-F422 HydrophobicContact CE2-CE1 4.06Å; F416-F422 AromaticContact CG-CD1 3.61Å; F416-F422 HydrophobicContact CG-CD1 3.61Å; F416-F422 AromaticContact CG-CE1 3.84Å; F416-F422 HydrophobicContact CG-CE1 3.84Å; F416-F422 AromaticContact CZ-CE1 3.82Å; F416-F422 HydrophobicContact CZ-CE1 3.82Å; N419-F422 HydrophobicContact CB-CB 3.95Å; N419-F422 PolarHBondContact O-N 3.27Å; N419-F422 PolarHBondContact OD1-N 3.28Å; N419-F422 VanDerWaalsContact OD1-N 3.08Å; F422-S424 PolarHBondContact O-N 3.21Å; F422-L425 CarbonylContact O-C 3.49Å; F422-L425 WeakPolarHBondContact O-CA 3.28Å; F422-L425 WeakPolarHBondContact O-CB 3.49Å; F422-L425 PolarHBondContact O-N 2.87Å; F422-H426 WeakPolarHBondContact O-CB 3.33Å; F422-H426 PolarHBondContact O-N 3.04Å
423	L	58.6	Low	54.7	Low	23 Å²	23	70.4 Å²	70.4	12%	0.12	39%	0.388	C	S	.	.	H	α-helix	trans	-49.6	-55.8	172	-81.5	166.9	0	0	0	112.3	C412 F416 N419 L425 H426 R427	C412-L423 VanDerWaalsContact O-CD2 3.27Å; C412-L423 WeakPolarHBondContact O-CD2 3.28Å; F416-L423 HydrophobicContact CB-CD2 3.7Å; F416-L423 HydrophobicContact CB-CG 3.78Å; F416-L423 WeakPolarHBondContact O-CD1 3.22Å; F416-L423 WeakPolarHBondContact O-CG 3.5Å; N419-L423 PolarHBondContact O-N 3.04Å; L423-L425 PolarHBondContact O-N 2.86Å; L423-H426 WeakPolarHBondContact O-CB 3.32Å; L423-H426 PolarHBondContact O-N 3.43Å; L423-R427 PolarHBondContact O-N 3.45Å
424	S	57.3	Low	55.1	Low	45 Å²	45	70.4 Å²	70.4	32%	0.315	39%	0.39	S	S	.	.	H	α-helix	trans	-62.5	-28	179.1	-50.9	0	0	0	0	112.9	P420 F422 A428 S445	P420-S424 PolarHBondContact O-N 3.32Å; P420-S424 PolarHBondContact O-OG 2.98Å; F422-S424 PolarHBondContact O-N 3.21Å; S424-A428 WeakPolarHBondContact O-CB 3.34Å; S424-A428 PolarHBondContact O-N 2.93Å; S424-A428 VanDerWaalsContact O-N 3.12Å; S424-S445 VanDerWaalsContact CB-CB 3.4Å
425	L	57.3	Low	55.8	Low	56 Å²	56	66.7 Å²	66.7	29%	0.293	37%	0.373	S	S	.	.	H	α-helix	trans	-79.2	-26.8	176.4	-169.6	66.9	0	0	0	112.1	R396 I400 R421 F422 L423 H429	R396-L425 HydrophobicContact CG-CD2 4.36Å; I400-L425 HydrophobicContact CD1-CD2 3.99Å; I400-L425 HydrophobicContact CD1-CG 3.77Å; R421-L425 WeakPolarHBondContact O-CB 3.31Å; F422-L425 CarbonylContact O-C 3.49Å; F422-L425 WeakPolarHBondContact O-CA 3.28Å; F422-L425 WeakPolarHBondContact O-CB 3.49Å; F422-L425 PolarHBondContact O-N 2.87Å; L423-L425 PolarHBondContact O-N 2.86Å; L425-H429 PolarHBondContact O-N 3.2Å
426	H	60.4	Low	56.2	Low	1 Å²	1	69.3 Å²	69.3	1%	0.005	38%	0.381	C	S	.	.	H	α-helix	trans	-76.2	-51	175.4	-163.7	-78.7	0	0	0	111.6	A403 C412 F422 L423 A428 H429 L430	A403-H426 VanDerWaalsContact CB-CD2 3.47Å; A403-H426 WeakPolarHBondContact CB-CD2 3.48Å; A403-H426 WeakPolarHBondContact CB-NE2 3.39Å; C412-H426 PolarHBondContact SG-CE1 2.93Å; F422-H426 WeakPolarHBondContact O-CB 3.33Å; F422-H426 PolarHBondContact O-N 3.04Å; L423-H426 WeakPolarHBondContact O-CB 3.32Å; L423-H426 PolarHBondContact O-N 3.43Å; H426-A428 VanDerWaalsContact C-N 3.26Å; H426-A428 PolarHBondContact O-N 3.02Å; H426-H429 WeakPolarHBondContact O-CA 3.45Å; H426-H429 VanDerWaalsContact O-CB 3.25Å; H426-H429 WeakPolarHBondContact O-CB 3.4Å; H426-H429 PolarHBondContact O-N 2.87Å; H426-L430 PolarHBondContact O-N 3.25Å
427	R	63.3	Low	56.9	Low	82 Å²	82	67.5 Å²	67.5	31%	0.309	37%	0.373	S	S	.	.	H	α-helix	trans	-60.4	-37.2	172.5	-62.2	-174.3	-172.5	170.3	-2	111.4	S413 L423 H429 G431 E432 E433	S413-R427 PolarHBondContact OG-NH2 2.95Å; L423-R427 PolarHBondContact O-N 3.45Å; R427-H429 PolarHBondContact O-N 3.2Å; R427-G431 PolarHBondContact O-N 3.16Å; R427-E432 PolarHBondContact O-N 3.16Å; R427-E433 HydrophobicContact CB-CB 4.25Å; R427-E433 WeakPolarHBondContact CD-OE2 3.18Å; R427-E433 IonicContact CZ-OE2 3.16Å; R427-E433 IonicContact NE-OE2 3.41Å; R427-E433 IonicContact NH1-OE2 2.74Å; R427-E433 PolarHBondContact NH1-OE2 3.33Å
428	A	57.4	Low	57.9	Low	6 Å²	6	73 Å²	73	5%	0.05	39%	0.392	C	S	.	.	H	α-helix	trans	-68.7	-8.6	171.5	0	0	0	0	0	114.9	S424 H426 A434 C443	S424-A428 WeakPolarHBondContact O-CB 3.34Å; S424-A428 PolarHBondContact O-N 2.93Å; S424-A428 VanDerWaalsContact O-N 3.12Å; H426-A428 VanDerWaalsContact C-N 3.26Å; H426-A428 PolarHBondContact O-N 3.02Å; A428-A434 HydrophobicContact CB-CB 4.24Å; A428-C443 HydrophobicContact CB-CB 3.9Å; A428-C443 WeakPolarHBondContact O-CB 3.45Å; A428-C443 PolarHBondContact O-SG 2.83Å
429	H	58.3	Low	58.5	Low	19 Å²	19	74.7 Å²	74.7	9%	0.088	38%	0.376	C	S	.	.	H	α-helix	trans	-95.7	-44.6	175.1	-172.9	-89	0	0	0	112.7	K386 H397 I400 H401 E404 L425 H426 R427 G431	K386-H429 PolarHBondContact NZ-CD2 3.2Å; K386-H429 PolarHBondContact NZ-CE1 3.24Å; K386-H429 PolarHBondContact NZ-NE2 2.82Å; K386-H429 PolarHBondContact NZ-O 2.99Å; K386-H429 VanDerWaalsContact NZ-O 3.16Å; H397-H429 AromaticContact CE1-CD2 3.63Å; H397-H429 AromaticContact CE1-NE2 3.31Å; H397-H429 PolarHBondContact CE1-NE2 2.94Å; H397-H429 VanDerWaalsContact CE1-NE2 3.31Å; H397-H429 AromaticContact ND1-CD2 3.71Å; H397-H429 AromaticContact ND1-NE2 3.87Å; I400-H429 HydrophobicContact CD1-CB 4.38Å; I400-H429 HydrophobicContact CG2-CB 3.68Å; H401-H429 AromaticContact CE1-CE1 3.39Å; H401-H429 PolarHBondContact CE1-CE1 3.18Å; H401-H429 AromaticContact CE1-NE2 3.41Å; H401-H429 PolarHBondContact CE1-NE2 2.95Å; H401-H429 AromaticContact ND1-CE1 3.8Å; E404-H429 VanDerWaalsContact CD-CE1 3.47Å; E404-H429 VanDerWaalsContact CD-ND1 3.32Å; E404-H429 IonicContact OE1-CE1 3.4Å; E404-H429 PolarHBondContact OE1-CE1 2.95Å; E404-H429 IonicContact OE1-CG 3.58Å; E404-H429 IonicContact OE1-ND1 3.16Å; E404-H429 PolarHBondContact OE1-ND1 3.05Å; E404-H429 IonicContact OE2-CE1 3.58Å; E404-H429 PolarHBondContact OE2-CE1 2.83Å; E404-H429 VanDerWaalsContact OE2-CE1 3.31Å; E404-H429 IonicContact OE2-ND1 3.48Å; L425-H429 PolarHBondContact O-N 3.2Å; H426-H429 WeakPolarHBondContact O-CA 3.45Å; H426-H429 VanDerWaalsContact O-CB 3.25Å; H426-H429 WeakPolarHBondContact O-CB 3.4Å; H426-H429 PolarHBondContact O-N 2.87Å; R427-H429 PolarHBondContact O-N 3.2Å; H429-G431 VanDerWaalsContact C-N 3.29Å
430	L	58.9	Low	58.8	Low	81 Å²	81	73 Å²	73	42%	0.424	37%	0.371	S	S	.	.	H	α-helix	trans	-63.7	-35.4	172.5	-64.2	176.1	0	0	0	111.3	E404 H426 E432	E404-L430 HydrophobicContact CG-CD2 4.28Å; H426-L430 PolarHBondContact O-N 3.25Å; L430-E432 WeakPolarHBondContact CD1-OE2 3.33Å
431	G	54.9	Low	58.8	Low	47 Å²	47	70.8 Å²	70.8	49%	0.485	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	111.3	-5.2	171.8	0	0	0	0	0	114.6	R427 H429	R427-G431 PolarHBondContact O-N 3.16Å; H429-G431 VanDerWaalsContact C-N 3.29Å
432	E	54	Low	59.1	Low	147 Å²	147	64.7 Å²	64.7	69%	0.687	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-38.2	-170.7	-64	153.4	148.1	0	0	112.8	R427 L430	R427-E432 PolarHBondContact O-N 3.16Å; L430-E432 WeakPolarHBondContact CD1-OE2 3.33Å
433	E	51.6	Low	59.3	Low	114 Å²	114	64.8 Å²	64.8	53%	0.533	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.5	48.8	177.7	-62	-170.7	121	0	0	111.3	R427	R427-E433 HydrophobicContact CB-CB 4.25Å; R427-E433 WeakPolarHBondContact CD-OE2 3.18Å; R427-E433 IonicContact CZ-OE2 3.16Å; R427-E433 IonicContact NE-OE2 3.41Å; R427-E433 IonicContact NH1-OE2 2.74Å; R427-E433 PolarHBondContact NH1-OE2 3.33Å
434	A	59.6	Low	59.5	Low	31 Å²	31	66 Å²	66	26%	0.256	35%	0.354	S	S	.	.			trans	-105.8	103.1	-170.5	0	0	0	0	0	113.9	A428 K436 C443	A428-A434 HydrophobicContact CB-CB 4.24Å; A434-K436 VanDerWaalsContact C-N 3.34Å; A434-K436 PolarHBondContact O-N 3.08Å; A434-C443 HydrophobicContact CB-CB 4.35Å
435	H	65.1	Low	59.4	Low	71 Å²	71	66.7 Å²	66.7	33%	0.329	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	88.3	168.3	-65.7	-79.7	0	0	0	110.3	C443 F444 Q446 N447 L450	H435-C443 CarbonylContact O-C 3.54Å; H435-C443 WeakPolarHBondContact O-CA 3.28Å; H435-F444 HydrophobicContact CB-CB 4.41Å; H435-F444 WeakPolarHBondContact CB-O 3.49Å; H435-F444 PolarHBondContact N-O 3.36Å; H435-F444 VanDerWaalsContact N-O 3.17Å; H435-F444 PolarHBondContact O-N 3.37Å; H435-Q446 VanDerWaalsContact CD2-C 3.43Å; H435-N447 PolarHBondContact CD2-N 3.09Å; H435-N447 VanDerWaalsContact CD2-N 3.3Å; H435-N447 VanDerWaalsContact CE1-CB 3.47Å; H435-N447 WeakPolarHBondContact CE1-CB 3.05Å; H435-N447 PolarHBondContact ND1-OD1 3.11Å; H435-N447 PolarHBondContact NE2-N 3.43Å; H435-L450 HydrophobicContact CB-CB 3.87Å; H435-L450 HydrophobicContact CB-CD2 3.88Å; H435-L450 HydrophobicContact CB-CG 4.49Å
436	K	60.9	Low	59.8	Low	122 Å²	122	68.3 Å²	68.3	53%	0.53	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	124.4	-172.9	-176.1	-177.7	175.6	-173.1	0	112.7	A434 L438	A434-K436 VanDerWaalsContact C-N 3.34Å; A434-K436 PolarHBondContact O-N 3.08Å; K436-L438 PolarHBondContact O-N 3.36Å
437	C	66.4	Low	60.1	Low	0 Å²	0	71.7 Å²	71.7	0%	0	38%	0.383	C	S	.	.			trans	-70.9	115.3	169.9	-177.8	0	0	0	0	110.5	E439 G441 K442 F444 L450	C437-E439 VanDerWaalsContact C-N 3.34Å; C437-E439 PolarHBondContact O-N 2.87Å; C437-G441 VanDerWaalsContact O-CA 3.28Å; C437-G441 WeakPolarHBondContact O-CA 3.5Å; C437-G441 PolarHBondContact O-N 2.82Å; C437-K442 WeakPolarHBondContact CB-O 3.42Å; C437-K442 PolarHBondContact N-O 2.81Å; C437-F444 HydrophobicContact CB-CE2 4.43Å; C437-L450 VanDerWaalsContact CA-CD1 3.5Å; C437-L450 HydrophobicContact CB-CD1 3.55Å
438	L	69.6	Low	60.4	Low	158 Å²	158	69.9 Å²	69.9	83%	0.827	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-37.8	-179.1	-58.6	-180	0	0	0	112.3	K436 C440	K436-L438 PolarHBondContact O-N 3.36Å; L438-C440 PolarHBondContact O-N 3.15Å
439	E	62.3	Low	61	Low	124 Å²	124	71.7 Å²	71.7	58%	0.579	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-22.5	-175.2	-62	174.2	105.4	0	0	114.7	C437 H457	C437-E439 VanDerWaalsContact C-N 3.34Å; C437-E439 PolarHBondContact O-N 2.87Å; E439-H457 WeakPolarHBondContact OE2-CB 3.5Å; E439-H457 IonicContact OE2-CD2 3.72Å; E439-H457 PolarHBondContact OE2-CD2 3.05Å; E439-H457 IonicContact OE2-CG 3.1Å
440	C	57.5	Low	61.6	Low	49 Å²	49	71.4 Å²	71.4	33%	0.331	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.5	14.1	179.5	79.8	0	0	0	0	116.2	L438 K442 H453 H457	L438-C440 PolarHBondContact O-N 3.15Å; C440-K442 PolarHBondContact O-N 3.25Å; C440-K442 VanDerWaalsContact O-N 3.12Å; C440-K442 PolarHBondContact SG-NZ 2.86Å; C440-H453 PolarHBondContact SG-NE2 3.2Å; C440-H457 WeakPolarHBondContact CB-NE2 3.4Å; C440-H457 PolarHBondContact SG-NE2 3.48Å
441	G	56.4	Low	62.3	Low	45 Å²	45	70.1 Å²	70.1	46%	0.464	38%	0.383	S	S	.	.			trans	69.6	4.8	169.3	0	0	0	0	0	116.8	C437	C437-G441 VanDerWaalsContact O-CA 3.28Å; C437-G441 WeakPolarHBondContact O-CA 3.5Å; C437-G441 PolarHBondContact O-N 2.82Å
442	K	57.3	Low	63.2	Low	94 Å²	94	72.3 Å²	72.3	41%	0.409	38%	0.377	S	S	.	.			trans	-79.2	130.4	179.9	-63.7	-174.7	-153.4	120.8	0	111.7	C437 C440 F444 H453	C437-K442 WeakPolarHBondContact CB-O 3.42Å; C437-K442 PolarHBondContact N-O 2.81Å; C440-K442 PolarHBondContact O-N 3.25Å; C440-K442 VanDerWaalsContact O-N 3.12Å; C440-K442 PolarHBondContact SG-NZ 2.86Å; K442-F444 HydrophobicContact CB-CE2 3.66Å; K442-F444 HydrophobicContact CB-CZ 4Å; K442-F444 HydrophobicContact CD-CZ 4.26Å; K442-F444 WeakPolarHBondContact O-CE2 3.36Å; K442-H453 PolarHBondContact NZ-CE1 3.29Å; K442-H453 PolarHBondContact NZ-NE2 3.31Å
443	C	57.8	Low	64.1	Low	46 Å²	46	66.2 Å²	66.2	31%	0.311	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	147.9	169.9	-50.1	0	0	0	0	111.5	A428 A434 H435	A428-C443 HydrophobicContact CB-CB 3.9Å; A428-C443 WeakPolarHBondContact O-CB 3.45Å; A428-C443 PolarHBondContact O-SG 2.83Å; A434-C443 HydrophobicContact CB-CB 4.35Å; H435-C443 CarbonylContact O-C 3.54Å; H435-C443 WeakPolarHBondContact O-CA 3.28Å
444	F	63.6	Low	64.9	Low	49 Å²	49	64.1 Å²	64.1	22%	0.215	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	150.1	174.8	-62.9	-92.5	0	0	0	109.8	H435 C437 K442 Q446 H449 L450 H453	H435-F444 HydrophobicContact CB-CB 4.41Å; H435-F444 WeakPolarHBondContact CB-O 3.49Å; H435-F444 PolarHBondContact N-O 3.36Å; H435-F444 VanDerWaalsContact N-O 3.17Å; H435-F444 PolarHBondContact O-N 3.37Å; C437-F444 HydrophobicContact CB-CE2 4.43Å; K442-F444 HydrophobicContact CB-CE2 3.66Å; K442-F444 HydrophobicContact CB-CZ 4Å; K442-F444 HydrophobicContact CD-CZ 4.26Å; K442-F444 WeakPolarHBondContact O-CE2 3.36Å; F444-Q446 VanDerWaalsContact C-N 3.26Å; F444-Q446 PolarHBondContact O-N 3.39Å; F444-H449 HydrophobicContact CB-CB 4.06Å; F444-H449 HydrophobicContact CD1-CB 3.96Å; F444-H449 HydrophobicContact CG-CB 4.31Å; F444-L450 HydrophobicContact CB-CB 4.33Å; F444-L450 HydrophobicContact CD2-CB 4.1Å; F444-L450 HydrophobicContact CD2-CD1 4.04Å; F444-L450 HydrophobicContact CE2-CD1 4.34Å; F444-L450 HydrophobicContact CG-CB 4.4Å; F444-H453 HydrophobicContact CE1-CB 4.05Å; F444-H453 HydrophobicContact CE2-CB 3.96Å; F444-H453 AromaticContact CE2-CD2 3.28Å; F444-H453 WeakPolarHBondContact CE2-CD2 3.38Å; F444-H453 AromaticContact CE2-CG 3.83Å; F444-H453 HydrophobicContact CZ-CB 3.58Å; F444-H453 AromaticContact CZ-CD2 3.22Å; F444-H453 WeakPolarHBondContact CZ-CD2 3.37Å; F444-H453 AromaticContact CZ-CG 3.4Å; F444-H453 VanDerWaalsContact CZ-CG 3.4Å
445	S	55	Low	65.7	Low	58 Å²	58	65.3 Å²	65.3	41%	0.406	34%	0.336	S	S	.	.	S	Bend	trans	-75.1	-10.4	-179.3	56.2	0	0	0	0	114.7	S424	S424-S445 VanDerWaalsContact CB-CB 3.4Å
446	Q	64.9	Low	65.8	Low	91 Å²	91	66 Å²	66	43%	0.425	35%	0.345	S	S	.	.	S	Bend	trans	-150.7	142.9	-173.2	-74.2	170.7	-40.8	0	0	109.1	H435 F444 T448 H449 L450	H435-Q446 VanDerWaalsContact CD2-C 3.43Å; F444-Q446 VanDerWaalsContact C-N 3.26Å; F444-Q446 PolarHBondContact O-N 3.39Å; Q446-T448 VanDerWaalsContact C-N 3.32Å; Q446-T448 PolarHBondContact O-N 3.15Å; Q446-H449 HydrophobicContact CB-CB 4.45Å; Q446-H449 WeakPolarHBondContact O-CB 3.43Å; Q446-H449 PolarHBondContact O-N 2.85Å; Q446-H449 VanDerWaalsContact O-N 3.16Å; Q446-H449 PolarHBondContact OE1-CE1 2.99Å; Q446-H449 PolarHBondContact OE1-ND1 2.82Å; Q446-H449 VanDerWaalsContact OE1-ND1 3.12Å; Q446-L450 PolarHBondContact O-N 2.77Å
447	N	67.4	Low	66.2	Low	71 Å²	71	64.2 Å²	64.2	38%	0.38	34%	0.338	S	S	.	.	H	α-helix	trans	-61	-41.3	-179.5	-158.6	36.8	0	0	0	112.2	H435 H449 L450 T451	H435-N447 PolarHBondContact CD2-N 3.09Å; H435-N447 VanDerWaalsContact CD2-N 3.3Å; H435-N447 VanDerWaalsContact CE1-CB 3.47Å; H435-N447 WeakPolarHBondContact CE1-CB 3.05Å; H435-N447 PolarHBondContact ND1-OD1 3.11Å; H435-N447 PolarHBondContact NE2-N 3.43Å; N447-H449 PolarHBondContact O-N 3.37Å; N447-H449 VanDerWaalsContact O-N 3.16Å; N447-L450 CarbonylContact O-C 3.48Å; N447-L450 WeakPolarHBondContact O-CA 3.42Å; N447-L450 WeakPolarHBondContact O-CB 3.24Å; N447-L450 PolarHBondContact O-N 3.14Å; N447-T451 PolarHBondContact O-N 2.94Å; N447-T451 PolarHBondContact O-OG1 3.48Å; N447-T451 VanDerWaalsContact O-OG1 3.05Å
448	T	70	Confident	66.2	Low	44 Å²	44	67.8 Å²	67.8	27%	0.27	36%	0.361	S	S	.	.	H	α-helix	trans	-52.8	-37.8	176.2	61.1	0	0	0	0	112.4	Q446 R452	Q446-T448 VanDerWaalsContact C-N 3.32Å; Q446-T448 PolarHBondContact O-N 3.15Å; T448-R452 VanDerWaalsContact O-CB 3.22Å; T448-R452 WeakPolarHBondContact O-CB 3.37Å; T448-R452 PolarHBondContact O-N 2.88Å
449	H	69.8	Low	66.1	Low	45 Å²	45	62.4 Å²	62.4	21%	0.208	34%	0.343	C	S	.	.	H	α-helix	trans	-75.2	-33.8	176.9	-70.9	165	0	0	0	113.3	F444 Q446 N447 R452 H453	F444-H449 HydrophobicContact CB-CB 4.06Å; F444-H449 HydrophobicContact CD1-CB 3.96Å; F444-H449 HydrophobicContact CG-CB 4.31Å; Q446-H449 HydrophobicContact CB-CB 4.45Å; Q446-H449 WeakPolarHBondContact O-CB 3.43Å; Q446-H449 PolarHBondContact O-N 2.85Å; Q446-H449 VanDerWaalsContact O-N 3.16Å; Q446-H449 PolarHBondContact OE1-CE1 2.99Å; Q446-H449 PolarHBondContact OE1-ND1 2.82Å; Q446-H449 VanDerWaalsContact OE1-ND1 3.12Å; N447-H449 PolarHBondContact O-N 3.37Å; N447-H449 VanDerWaalsContact O-N 3.16Å; H449-R452 PolarHBondContact CD2-NH2 3.37Å; H449-R452 PolarHBondContact NE2-NH2 3.2Å; H449-H453 WeakPolarHBondContact O-CB 3.43Å; H449-H453 PolarHBondContact O-N 3.4Å; H449-H453 VanDerWaalsContact O-N 3.13Å
450	L	71.3	Confident	66.3	Low	13 Å²	13	60.5 Å²	60.5	7%	0.068	33%	0.334	C	S	.	.	H	α-helix	trans	-65.9	-49.9	168.8	171	61	0	0	0	111	H435 C437 F444 Q446 N447 R452 H453 Q454	H435-L450 HydrophobicContact CB-CB 3.87Å; H435-L450 HydrophobicContact CB-CD2 3.88Å; H435-L450 HydrophobicContact CB-CG 4.49Å; C437-L450 VanDerWaalsContact CA-CD1 3.5Å; C437-L450 HydrophobicContact CB-CD1 3.55Å; F444-L450 HydrophobicContact CB-CB 4.33Å; F444-L450 HydrophobicContact CD2-CB 4.1Å; F444-L450 HydrophobicContact CD2-CD1 4.04Å; F444-L450 HydrophobicContact CE2-CD1 4.34Å; F444-L450 HydrophobicContact CG-CB 4.4Å; Q446-L450 PolarHBondContact O-N 2.77Å; N447-L450 CarbonylContact O-C 3.48Å; N447-L450 WeakPolarHBondContact O-CA 3.42Å; N447-L450 WeakPolarHBondContact O-CB 3.24Å; N447-L450 PolarHBondContact O-N 3.14Å; L450-R452 PolarHBondContact O-N 3.03Å; L450-H453 CarbonylContact O-C 3.15Å; L450-H453 WeakPolarHBondContact O-CA 3.4Å; L450-H453 WeakPolarHBondContact O-CB 3.48Å; L450-H453 PolarHBondContact O-N 3.37Å; L450-Q454 HydrophobicContact CD1-CG 4Å; L450-Q454 HydrophobicContact CG-CG 4.37Å; L450-Q454 PolarHBondContact O-N 3.22Å
451	T	73.5	Confident	67.2	Low	53 Å²	53	62 Å²	62	33%	0.325	34%	0.335	S	S	.	.	H	α-helix	trans	-59.3	-46	179.7	-48.9	0	0	0	0	111.5	N447 H453 Q454 R455	N447-T451 PolarHBondContact O-N 2.94Å; N447-T451 PolarHBondContact O-OG1 3.48Å; N447-T451 VanDerWaalsContact O-OG1 3.05Å; T451-H453 PolarHBondContact O-N 3.41Å; T451-Q454 PolarHBondContact O-N 3.37Å; T451-R455 PolarHBondContact O-N 3.03Å
452	R	73.1	Confident	68.1	Low	94 Å²	94	63.5 Å²	63.5	36%	0.355	34%	0.337	S	S	.	.	H	α-helix	trans	-61.7	-25.6	172.8	-173.7	169.3	69.1	-162.7	4.2	112.9	T448 H449 L450 C474	T448-R452 VanDerWaalsContact O-CB 3.22Å; T448-R452 WeakPolarHBondContact O-CB 3.37Å; T448-R452 PolarHBondContact O-N 2.88Å; H449-R452 PolarHBondContact CD2-NH2 3.37Å; H449-R452 PolarHBondContact NE2-NH2 3.2Å; L450-R452 PolarHBondContact O-N 3.03Å; R452-C474 HydrophobicContact CG-CB 4.12Å
453	H	72.1	Confident	69	Low	19 Å²	19	62.6 Å²	62.6	9%	0.088	33%	0.331	C	S	.	.	H	α-helix	trans	-82.1	-39.2	173.5	179.5	35.2	0	0	0	113.3	C440 K442 F444 H449 L450 T451 R455 T456 H457	C440-H453 PolarHBondContact SG-NE2 3.2Å; K442-H453 PolarHBondContact NZ-CE1 3.29Å; K442-H453 PolarHBondContact NZ-NE2 3.31Å; F444-H453 HydrophobicContact CE1-CB 4.05Å; F444-H453 HydrophobicContact CE2-CB 3.96Å; F444-H453 AromaticContact CE2-CD2 3.28Å; F444-H453 WeakPolarHBondContact CE2-CD2 3.38Å; F444-H453 AromaticContact CE2-CG 3.83Å; F444-H453 HydrophobicContact CZ-CB 3.58Å; F444-H453 AromaticContact CZ-CD2 3.22Å; F444-H453 WeakPolarHBondContact CZ-CD2 3.37Å; F444-H453 AromaticContact CZ-CG 3.4Å; F444-H453 VanDerWaalsContact CZ-CG 3.4Å; H449-H453 WeakPolarHBondContact O-CB 3.43Å; H449-H453 PolarHBondContact O-N 3.4Å; H449-H453 VanDerWaalsContact O-N 3.13Å; L450-H453 CarbonylContact O-C 3.15Å; L450-H453 WeakPolarHBondContact O-CA 3.4Å; L450-H453 WeakPolarHBondContact O-CB 3.48Å; L450-H453 PolarHBondContact O-N 3.37Å; T451-H453 PolarHBondContact O-N 3.41Å; H453-R455 PolarHBondContact O-N 3.26Å; H453-T456 PolarHBondContact CE1-OG1 2.99Å; H453-T456 PolarHBondContact ND1-OG1 2.97Å; H453-T456 WeakPolarHBondContact O-CA 3.42Å; H453-T456 WeakPolarHBondContact O-CB 3.43Å; H453-T456 PolarHBondContact O-N 3.09Å; H453-T456 PolarHBondContact O-OG1 3.4Å; H453-H457 AromaticContact CE1-NE2 3.85Å; H453-H457 AromaticContact NE2-NE2 3.99Å
454	Q	68.8	Low	70	Confident	69 Å²	69	64.6 Å²	64.6	32%	0.322	34%	0.336	S	S	.	.	H	α-helix	trans	-57.5	-35.1	177.4	-73.9	164.9	-48.9	0	0	111.6	L450 T451 T456 H457 T458	L450-Q454 HydrophobicContact CD1-CG 4Å; L450-Q454 HydrophobicContact CG-CG 4.37Å; L450-Q454 PolarHBondContact O-N 3.22Å; T451-Q454 PolarHBondContact O-N 3.37Å; Q454-T456 PolarHBondContact O-N 2.7Å; Q454-H457 WeakPolarHBondContact O-CB 3.06Å; Q454-H457 PolarHBondContact O-N 2.96Å; Q454-T458 PolarHBondContact O-N 3.45Å; Q454-T458 VanDerWaalsContact O-N 3.11Å; Q454-T458 PolarHBondContact O-OG1 3.2Å
455	R	77.6	Confident	70.6	Confident	57 Å²	57	62.3 Å²	62.3	22%	0.215	33%	0.326	C	S	.	.	H	α-helix	trans	-53.5	-19.1	168.9	-66.3	-179.8	-174.2	157	3.4	115	T451 H453 T458 G459 E460 S473	T451-R455 PolarHBondContact O-N 3.03Å; H453-R455 PolarHBondContact O-N 3.26Å; R455-T458 WeakPolarHBondContact CA-OG1 3.36Å; R455-G459 CarbonylContact O-C 3.51Å; R455-G459 WeakPolarHBondContact O-CA 3.47Å; R455-G459 PolarHBondContact O-N 2.95Å; R455-G459 VanDerWaalsContact O-N 3.13Å; R455-E460 HydrophobicContact CB-CB 4.34Å; R455-E460 HydrophobicContact CG-CB 4.11Å; R455-E460 PolarHBondContact O-N 3.45Å; R455-S473 WeakPolarHBondContact CD-O 3.22Å; R455-S473 PolarHBondContact NH1-O 2.79Å
456	T	65.7	Low	71.6	Confident	84 Å²	84	66.6 Å²	66.6	52%	0.515	34%	0.344	S	S	.	.	H	α-helix	trans	-85.7	-7.4	174.7	72.1	0	0	0	0	114.4	H453 Q454	H453-T456 PolarHBondContact CE1-OG1 2.99Å; H453-T456 PolarHBondContact ND1-OG1 2.97Å; H453-T456 WeakPolarHBondContact O-CA 3.42Å; H453-T456 WeakPolarHBondContact O-CB 3.43Å; H453-T456 PolarHBondContact O-N 3.09Å; H453-T456 PolarHBondContact O-OG1 3.4Å; Q454-T456 PolarHBondContact O-N 2.7Å
457	H	69.2	Low	72	Confident	85 Å²	85	67.4 Å²	67.4	39%	0.394	35%	0.35	S	S	.	.	H	α-helix	trans	-103.1	-48.5	171.7	-56.2	-55.5	0	0	0	110.7	E439 C440 H453 Q454 G459	E439-H457 WeakPolarHBondContact OE2-CB 3.5Å; E439-H457 IonicContact OE2-CD2 3.72Å; E439-H457 PolarHBondContact OE2-CD2 3.05Å; E439-H457 IonicContact OE2-CG 3.1Å; C440-H457 WeakPolarHBondContact CB-NE2 3.4Å; C440-H457 PolarHBondContact SG-NE2 3.48Å; H453-H457 AromaticContact CE1-NE2 3.85Å; H453-H457 AromaticContact NE2-NE2 3.99Å; Q454-H457 WeakPolarHBondContact O-CB 3.06Å; Q454-H457 PolarHBondContact O-N 2.96Å; H457-G459 PolarHBondContact O-N 3.06Å
458	T	67.3	Low	72	Confident	76 Å²	76	66.5 Å²	66.5	47%	0.466	35%	0.349	S	S	.	.	H	α-helix	trans	-65.7	-22.1	174.4	62.3	0	0	0	0	112.9	Q454 R455 E460	Q454-T458 PolarHBondContact O-N 3.45Å; Q454-T458 VanDerWaalsContact O-N 3.11Å; Q454-T458 PolarHBondContact O-OG1 3.2Å; R455-T458 WeakPolarHBondContact CA-OG1 3.36Å; T458-E460 VanDerWaalsContact C-N 3.25Å; T458-E460 PolarHBondContact O-N 3.4Å; T458-E460 VanDerWaalsContact OG1-CG 3.31Å; T458-E460 WeakPolarHBondContact OG1-CG 3.32Å; T458-E460 PolarHBondContact OG1-N 3.11Å; T458-E460 PolarHBondContact OG1-OE2 3.03Å
459	G	67.7	Low	72.1	Confident	44 Å²	44	66.4 Å²	66.4	45%	0.454	36%	0.357	S	S	.	.			trans	80.1	4	-177.9	0	0	0	0	0	114	R455 H457	R455-G459 CarbonylContact O-C 3.51Å; R455-G459 WeakPolarHBondContact O-CA 3.47Å; R455-G459 PolarHBondContact O-N 2.95Å; R455-G459 VanDerWaalsContact O-N 3.13Å; H457-G459 PolarHBondContact O-N 3.06Å
460	E	66.9	Low	72.1	Confident	84 Å²	84	70 Å²	70	39%	0.393	37%	0.372	S	S	.	.			trans	-62.7	132.5	-176.1	-72.3	162.4	160.4	0	0	112.9	R455 T458	R455-E460 HydrophobicContact CB-CB 4.34Å; R455-E460 HydrophobicContact CG-CB 4.11Å; R455-E460 PolarHBondContact O-N 3.45Å; T458-E460 VanDerWaalsContact C-N 3.25Å; T458-E460 PolarHBondContact O-N 3.4Å; T458-E460 VanDerWaalsContact OG1-CG 3.31Å; T458-E460 WeakPolarHBondContact OG1-CG 3.32Å; T458-E460 PolarHBondContact OG1-N 3.11Å; T458-E460 PolarHBondContact OG1-OE2 3.03Å
461	K	76.2	Confident	72.1	Confident	82 Å²	82	70.7 Å²	70.7	36%	0.357	38%	0.378	S	S	.	.			trans	-131.8	74.3	179.7	-63.5	167.6	-162.5	177.7	0	109.5	E286 Y463 C471 F472	E286-K461 VanDerWaalsContact CD-NZ 3.32Å; E286-K461 IonicContact OE1-NZ 3.73Å; E286-K461 PolarHBondContact OE1-NZ 3.01Å; E286-K461 IonicContact OE2-NZ 3.63Å; K461-Y463 PolarHBondContact O-N 3.24Å; K461-Y463 VanDerWaalsContact O-N 3.16Å; K461-C471 HydrophobicContact CB-CB 3.42Å; K461-C471 VanDerWaalsContact CB-CB 3.42Å; K461-C471 HydrophobicContact CD-CB 4.14Å; K461-C471 HydrophobicContact CG-CB 4.39Å; K461-C471 WeakPolarHBondContact O-CB 3.41Å; K461-F472 CarbonylContact C-O 3.58Å; K461-F472 WeakPolarHBondContact CA-O 3.42Å
462	P	74.8	Confident	72.2	Confident	76 Å²	76	70.4 Å²	70.4	49%	0.494	37%	0.372	S	S	.	.			trans	-65	-20.6	-171.3	-22.3	34.3	0	0	0	114.7
463	Y	77.1	Confident	72.2	Confident	74 Å²	74	67.3 Å²	67.3	29%	0.29	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	94.1	-169.1	-55.6	-91.6	0	0	0	110.1	K461 C471 F472 C474 N475	K461-Y463 PolarHBondContact O-N 3.24Å; K461-Y463 VanDerWaalsContact O-N 3.16Å; Y463-C471 CarbonylContact O-C 3.54Å; Y463-C471 WeakPolarHBondContact O-CA 3.49Å; Y463-F472 WeakPolarHBondContact CD2-O 3.37Å; Y463-F472 PolarHBondContact N-O 3.26Å; Y463-F472 VanDerWaalsContact N-O 3.07Å; Y463-F472 PolarHBondContact O-N 2.8Å; Y463-C474 VanDerWaalsContact CD2-C 3.49Å; Y463-C474 VanDerWaalsContact CD2-CA 3.41Å; Y463-C474 VanDerWaalsContact CE2-CA 3.46Å; Y463-N475 HydrophobicContact CD1-CB 3.67Å; Y463-N475 HydrophobicContact CE1-CB 3.66Å; Y463-N475 HydrophobicContact CG-CB 4.43Å
464	Q	78.8	Confident	72.3	Confident	89 Å²	89	66.9 Å²	66.9	42%	0.416	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	140.7	-179.6	-176.5	164.6	-39.3	0	0	112.5	N466 L478	Q464-N466 PolarHBondContact O-N 3.03Å; Q464-N466 PolarHBondContact O-OD1 3.09Å; Q464-L478 WeakPolarHBondContact O-CD2 3.46Å
465	C	75.9	Confident	72.5	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.357	C	S	.	.			trans	-87.3	105.9	172.9	-172.4	0	0	0	0	111.3	I467 C468 G469 K470 F472 L478 H485	C465-I467 PolarHBondContact O-N 3.16Å; C465-C468 PolarHBondContact O-N 3.16Å; C465-C468 VanDerWaalsContact O-N 3.07Å; C465-G469 WeakPolarHBondContact O-CA 3.4Å; C465-G469 PolarHBondContact O-N 3.09Å; C465-K470 HydrophobicContact CB-CB 4.5Å; C465-K470 VanDerWaalsContact CB-O 3.27Å; C465-K470 WeakPolarHBondContact CB-O 3.49Å; C465-K470 PolarHBondContact N-O 3.36Å; C465-F472 HydrophobicContact CB-CE2 4.31Å; C465-L478 HydrophobicContact CB-CD1 3.52Å; C465-H485 PolarHBondContact SG-NE2 2.9Å; C465-H485 VanDerWaalsContact SG-NE2 3.41Å
466	N	75.8	Confident	72.2	Confident	149 Å²	149	64.2 Å²	64.2	80%	0.797	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-22.7	-178.8	-58.3	-0.2	0	0	0	114.1	Q464	Q464-N466 PolarHBondContact O-N 3.03Å; Q464-N466 PolarHBondContact O-OD1 3.09Å
467	I	72.1	Confident	72.6	Confident	107 Å²	107	62.3 Å²	62.3	55%	0.549	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-27.5	-178.2	-57.6	171.1	0	0	0	112.9	C465 H485	C465-I467 PolarHBondContact O-N 3.16Å; I467-H485 HydrophobicContact CB-CB 4.49Å; I467-H485 HydrophobicContact CD1-CB 3.69Å; I467-H485 HydrophobicContact CG2-CB 3.97Å
468	C	68.1	Low	73	Confident	53 Å²	53	58.9 Å²	58.9	36%	0.358	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.7	15.8	-175.8	74.6	0	0	0	0	116.3	C465 K470 H481 H485	C465-C468 PolarHBondContact O-N 3.16Å; C465-C468 VanDerWaalsContact O-N 3.07Å; C468-K470 PolarHBondContact O-N 2.74Å; C468-H481 PolarHBondContact SG-NE2 3.36Å; C468-H485 PolarHBondContact SG-CE1 3.17Å; C468-H485 PolarHBondContact SG-NE2 3.24Å
469	G	72.4	Confident	73.2	Confident	42 Å²	42	58.5 Å²	58.5	43%	0.433	32%	0.323	S	S	.	.			trans	68.1	1.5	174.9	0	0	0	0	0	116	C465 C471	C465-G469 WeakPolarHBondContact O-CA 3.4Å; C465-G469 PolarHBondContact O-N 3.09Å; G469-C471 PolarHBondContact O-N 3.47Å; G469-C471 PolarHBondContact O-SG 2.89Å
470	K	69.6	Low	73.3	Confident	120 Å²	120	61.7 Å²	61.7	52%	0.522	32%	0.321	S	S	.	.			trans	-74.1	126.5	-179.7	-71.4	176.8	-171.7	164.3	0	111	C465 C468 F472	C465-K470 HydrophobicContact CB-CB 4.5Å; C465-K470 VanDerWaalsContact CB-O 3.27Å; C465-K470 WeakPolarHBondContact CB-O 3.49Å; C465-K470 PolarHBondContact N-O 3.36Å; C468-K470 PolarHBondContact O-N 2.74Å; K470-F472 HydrophobicContact CB-CE2 3.79Å; K470-F472 HydrophobicContact CB-CZ 3.98Å; K470-F472 WeakPolarHBondContact O-CD2 3.34Å; K470-F472 WeakPolarHBondContact O-CE2 3.47Å
471	C	71.5	Confident	73.7	Confident	28 Å²	28	58.9 Å²	58.9	19%	0.189	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	146.4	180	-51.8	0	0	0	0	112.3	K461 Y463 G469	K461-C471 HydrophobicContact CB-CB 3.42Å; K461-C471 VanDerWaalsContact CB-CB 3.42Å; K461-C471 HydrophobicContact CD-CB 4.14Å; K461-C471 HydrophobicContact CG-CB 4.39Å; K461-C471 WeakPolarHBondContact O-CB 3.41Å; Y463-C471 CarbonylContact O-C 3.54Å; Y463-C471 WeakPolarHBondContact O-CA 3.49Å; G469-C471 PolarHBondContact O-N 3.47Å; G469-C471 PolarHBondContact O-SG 2.89Å
472	F	76.3	Confident	73.5	Confident	47 Å²	47	57.5 Å²	57.5	21%	0.206	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	155.9	-177.9	-59.6	-89.4	0	0	0	111.4	K461 Y463 C465 K470 N477 L478 H481	K461-F472 CarbonylContact C-O 3.58Å; K461-F472 WeakPolarHBondContact CA-O 3.42Å; Y463-F472 WeakPolarHBondContact CD2-O 3.37Å; Y463-F472 PolarHBondContact N-O 3.26Å; Y463-F472 VanDerWaalsContact N-O 3.07Å; Y463-F472 PolarHBondContact O-N 2.8Å; C465-F472 HydrophobicContact CB-CE2 4.31Å; K470-F472 HydrophobicContact CB-CE2 3.79Å; K470-F472 HydrophobicContact CB-CZ 3.98Å; K470-F472 WeakPolarHBondContact O-CD2 3.34Å; K470-F472 WeakPolarHBondContact O-CE2 3.47Å; F472-N477 HydrophobicContact CB-CB 4.03Å; F472-N477 HydrophobicContact CD1-CB 4.06Å; F472-N477 HydrophobicContact CG-CB 4.32Å; F472-L478 HydrophobicContact CB-CB 4.3Å; F472-L478 HydrophobicContact CD2-CB 3.97Å; F472-L478 HydrophobicContact CD2-CD1 4.01Å; F472-L478 HydrophobicContact CE2-CD1 4.25Å; F472-L478 HydrophobicContact CG-CB 4.33Å; F472-H481 HydrophobicContact CE1-CB 4.02Å; F472-H481 HydrophobicContact CE2-CB 3.92Å; F472-H481 AromaticContact CE2-CD2 3.27Å; F472-H481 WeakPolarHBondContact CE2-CD2 3.37Å; F472-H481 AromaticContact CE2-CG 3.75Å; F472-H481 HydrophobicContact CZ-CB 3.52Å; F472-H481 AromaticContact CZ-CD2 3.29Å; F472-H481 WeakPolarHBondContact CZ-CD2 3.28Å; F472-H481 AromaticContact CZ-CG 3.34Å
473	S	72.6	Confident	73.3	Confident	28 Å²	28	56.1 Å²	56.1	20%	0.196	29%	0.287	C	S	.	.	S	Bend	trans	-85.1	-8.6	-177.2	53.4	0	0	0	0	115.3	R455	R455-S473 WeakPolarHBondContact CD-O 3.22Å; R455-S473 PolarHBondContact NH1-O 2.79Å
474	C	74.6	Confident	72.8	Confident	10 Å²	10	56.7 Å²	56.7	7%	0.068	30%	0.299	C	S	.	.	S	Bend	trans	-152	156.4	171.3	69.1	0	0	0	0	111.8	R452 Y463 N477 L478	R452-C474 HydrophobicContact CG-CB 4.12Å; Y463-C474 VanDerWaalsContact CD2-C 3.49Å; Y463-C474 VanDerWaalsContact CD2-CA 3.41Å; Y463-C474 VanDerWaalsContact CE2-CA 3.46Å; C474-N477 WeakPolarHBondContact O-CB 3.12Å; C474-N477 PolarHBondContact O-N 3.4Å; C474-N477 VanDerWaalsContact O-N 3.15Å; C474-N477 VanDerWaalsContact SG-CG 3.52Å; C474-N477 PolarHBondContact SG-ND2 3.41Å; C474-L478 PolarHBondContact O-N 3.3Å
475	N	72.5	Confident	72.4	Confident	34 Å²	34	55.7 Å²	55.7	18%	0.182	29%	0.294	C	S	.	.	H	α-helix	trans	-63	-49.2	-174.3	-170.1	55.1	0	0	0	113.3	E251 Y463 N477 L478 H479	E251-N475 PolarHBondContact OE1-ND2 3.17Å; Y463-N475 HydrophobicContact CD1-CB 3.67Å; Y463-N475 HydrophobicContact CE1-CB 3.66Å; Y463-N475 HydrophobicContact CG-CB 4.43Å; N475-N477 PolarHBondContact O-N 2.97Å; N475-L478 CarbonylContact O-C 3.52Å; N475-L478 VanDerWaalsContact O-CA 3.31Å; N475-L478 WeakPolarHBondContact O-CA 2.98Å; N475-L478 VanDerWaalsContact O-CB 3.32Å; N475-L478 WeakPolarHBondContact O-CB 3.39Å; N475-L478 PolarHBondContact O-N 3.12Å; N475-H479 PolarHBondContact ND2-CD2 3.3Å; N475-H479 PolarHBondContact ND2-CE1 3.14Å; N475-H479 PolarHBondContact ND2-NE2 2.86Å; N475-H479 PolarHBondContact O-N 3.4Å
476	S	71.9	Confident	71.8	Confident	37 Å²	37	59.5 Å²	59.5	26%	0.259	32%	0.318	S	S	.	.	H	α-helix	trans	-50.7	-26.3	171.2	40.9	0	0	0	0	115.6	E251 R480	E251-S476 PolarHBondContact OE1-N 3.12Å; E251-S476 WeakPolarHBondContact OE2-CB 3.34Å; E251-S476 PolarHBondContact OE2-N 2.96Å; E251-S476 PolarHBondContact OE2-OG 2.85Å; S476-R480 VanDerWaalsContact O-CB 3.23Å; S476-R480 WeakPolarHBondContact O-CB 3.47Å; S476-R480 PolarHBondContact O-N 3.2Å
477	N	74.3	Confident	71.2	Confident	44 Å²	44	54.8 Å²	54.8	24%	0.235	30%	0.304	C	S	.	.	H	α-helix	trans	-77.7	-36.2	170.3	-79.9	-29.3	0	0	0	112.6	F472 C474 N475 R480 H481	F472-N477 HydrophobicContact CB-CB 4.03Å; F472-N477 HydrophobicContact CD1-CB 4.06Å; F472-N477 HydrophobicContact CG-CB 4.32Å; C474-N477 WeakPolarHBondContact O-CB 3.12Å; C474-N477 PolarHBondContact O-N 3.4Å; C474-N477 VanDerWaalsContact O-N 3.15Å; C474-N477 VanDerWaalsContact SG-CG 3.52Å; C474-N477 PolarHBondContact SG-ND2 3.41Å; N475-N477 PolarHBondContact O-N 2.97Å; N477-R480 VanDerWaalsContact OD1-CZ 3.24Å; N477-R480 PolarHBondContact OD1-NH1 3.33Å; N477-R480 PolarHBondContact OD1-NH2 3.27Å; N477-H481 WeakPolarHBondContact O-CB 3.45Å; N477-H481 PolarHBondContact O-N 3.45Å; N477-H481 VanDerWaalsContact O-N 3.14Å
478	L	76	Confident	70.5	Confident	12 Å²	12	54.5 Å²	54.5	6%	0.063	30%	0.3	C	S	.	.	H	α-helix	trans	-67.1	-50.4	172.7	167.7	60.8	0	0	0	111.3	Q464 C465 F472 C474 N475 R480 H481 Q482	Q464-L478 WeakPolarHBondContact O-CD2 3.46Å; C465-L478 HydrophobicContact CB-CD1 3.52Å; F472-L478 HydrophobicContact CB-CB 4.3Å; F472-L478 HydrophobicContact CD2-CB 3.97Å; F472-L478 HydrophobicContact CD2-CD1 4.01Å; F472-L478 HydrophobicContact CE2-CD1 4.25Å; F472-L478 HydrophobicContact CG-CB 4.33Å; C474-L478 PolarHBondContact O-N 3.3Å; N475-L478 CarbonylContact O-C 3.52Å; N475-L478 VanDerWaalsContact O-CA 3.31Å; N475-L478 WeakPolarHBondContact O-CA 2.98Å; N475-L478 VanDerWaalsContact O-CB 3.32Å; N475-L478 WeakPolarHBondContact O-CB 3.39Å; N475-L478 PolarHBondContact O-N 3.12Å; L478-R480 VanDerWaalsContact C-N 3.34Å; L478-R480 PolarHBondContact O-N 2.86Å; L478-H481 CarbonylContact O-C 3.57Å; L478-H481 WeakPolarHBondContact O-CA 3.26Å; L478-H481 WeakPolarHBondContact O-CB 3.42Å; L478-H481 PolarHBondContact O-N 3.07Å; L478-Q482 HydrophobicContact CD1-CG 3.98Å; L478-Q482 HydrophobicContact CG-CG 4.46Å; L478-Q482 PolarHBondContact O-N 3.37Å
479	H	72.2	Confident	70.3	Confident	68 Å²	68	57.5 Å²	57.5	32%	0.315	31%	0.307	S	S	.	.	H	α-helix	trans	-58.4	-43.5	176.4	-75.1	-6.2	0	0	0	112.2	N475 H481 Q482 R483	N475-H479 PolarHBondContact ND2-CD2 3.3Å; N475-H479 PolarHBondContact ND2-CE1 3.14Å; N475-H479 PolarHBondContact ND2-NE2 2.86Å; N475-H479 PolarHBondContact O-N 3.4Å; H479-H481 PolarHBondContact O-N 3.16Å; H479-Q482 PolarHBondContact ND1-OE1 3.41Å; H479-Q482 PolarHBondContact O-N 3.43Å; H479-R483 PolarHBondContact O-N 3.31Å
480	R	70.3	Confident	70.1	Confident	112 Å²	112	57.2 Å²	57.2	42%	0.423	30%	0.298	S	S	.	.	H	α-helix	trans	-63.3	-26.8	173.4	-168.1	176.8	71.1	-109.8	-7.4	112.9	S476 N477 L478 H502	S476-R480 VanDerWaalsContact O-CB 3.23Å; S476-R480 WeakPolarHBondContact O-CB 3.47Å; S476-R480 PolarHBondContact O-N 3.2Å; N477-R480 VanDerWaalsContact OD1-CZ 3.24Å; N477-R480 PolarHBondContact OD1-NH1 3.33Å; N477-R480 PolarHBondContact OD1-NH2 3.27Å; L478-R480 VanDerWaalsContact C-N 3.34Å; L478-R480 PolarHBondContact O-N 2.86Å; R480-H502 WeakPolarHBondContact CG-CE1 3.38Å
481	H	75.4	Confident	70.2	Confident	24 Å²	24	51.7 Å²	51.7	11%	0.111	27%	0.274	C	S	.	.	H	α-helix	trans	-80.6	-35.3	172.2	172.6	49.4	0	0	0	113.1	C468 F472 N477 L478 H479 R483 T484 H485	C468-H481 PolarHBondContact SG-NE2 3.36Å; F472-H481 HydrophobicContact CE1-CB 4.02Å; F472-H481 HydrophobicContact CE2-CB 3.92Å; F472-H481 AromaticContact CE2-CD2 3.27Å; F472-H481 WeakPolarHBondContact CE2-CD2 3.37Å; F472-H481 AromaticContact CE2-CG 3.75Å; F472-H481 HydrophobicContact CZ-CB 3.52Å; F472-H481 AromaticContact CZ-CD2 3.29Å; F472-H481 WeakPolarHBondContact CZ-CD2 3.28Å; F472-H481 AromaticContact CZ-CG 3.34Å; N477-H481 WeakPolarHBondContact O-CB 3.45Å; N477-H481 PolarHBondContact O-N 3.45Å; N477-H481 VanDerWaalsContact O-N 3.14Å; L478-H481 CarbonylContact O-C 3.57Å; L478-H481 WeakPolarHBondContact O-CA 3.26Å; L478-H481 WeakPolarHBondContact O-CB 3.42Å; L478-H481 PolarHBondContact O-N 3.07Å; H479-H481 PolarHBondContact O-N 3.16Å; H481-R483 PolarHBondContact O-N 3.02Å; H481-T484 PolarHBondContact CE1-OG1 2.71Å; H481-T484 PolarHBondContact ND1-OG1 3.18Å; H481-T484 WeakPolarHBondContact O-CA 3.48Å; H481-T484 WeakPolarHBondContact O-CB 3.2Å; H481-T484 PolarHBondContact O-N 2.82Å; H481-T484 PolarHBondContact O-OG1 2.81Å; H481-H485 AromaticContact CD2-NE2 3.86Å; H481-H485 AromaticContact CE1-CE1 3.7Å; H481-H485 AromaticContact CE1-NE2 3.24Å; H481-H485 PolarHBondContact CE1-NE2 2.95Å; H481-H485 AromaticContact NE2-CD2 3.99Å; H481-H485 AromaticContact NE2-CE1 3.75Å; H481-H485 AromaticContact NE2-NE2 2.99Å; H481-H485 PolarHBondContact NE2-NE2 2.92Å
482	Q	70.9	Confident	70	Confident	54 Å²	54	56.3 Å²	56.3	25%	0.252	29%	0.291	S	S	.	.	H	α-helix	trans	-59.3	-32.3	179	-76.5	164.3	-58.2	0	0	112.3	L478 H479 T484 H485 T486	L478-Q482 HydrophobicContact CD1-CG 3.98Å; L478-Q482 HydrophobicContact CG-CG 4.46Å; L478-Q482 PolarHBondContact O-N 3.37Å; H479-Q482 PolarHBondContact ND1-OE1 3.41Å; H479-Q482 PolarHBondContact O-N 3.43Å; Q482-T484 PolarHBondContact O-N 3.33Å; Q482-H485 PolarHBondContact O-N 3.01Å; Q482-T486 PolarHBondContact O-N 2.91Å; Q482-T486 VanDerWaalsContact O-N 3.15Å
483	R	70.8	Confident	69.7	Low	46 Å²	46	54.1 Å²	54.1	17%	0.174	28%	0.281	C	S	.	.	H	α-helix	trans	-56.5	-19.9	169.4	-62.1	-178.9	-163.6	-179.4	5.3	114.7	D244 H479 H481 H485 T486 G487 Y491	D244-R483 VanDerWaalsContact CG-NH2 3.26Å; D244-R483 IonicContact OD1-CZ 3.63Å; D244-R483 IonicContact OD1-NH1 3.99Å; D244-R483 PolarHBondContact OD1-NH1 3.39Å; D244-R483 IonicContact OD1-NH2 3.13Å; D244-R483 PolarHBondContact OD1-NH2 3.12Å; D244-R483 IonicContact OD2-CZ 3.58Å; D244-R483 IonicContact OD2-NH1 3.37Å; D244-R483 PolarHBondContact OD2-NH1 2.67Å; D244-R483 IonicContact OD2-NH2 3.13Å; D244-R483 PolarHBondContact OD2-NH2 3.19Å; D244-R483 VanDerWaalsContact OD2-NH2 3.16Å; H479-R483 PolarHBondContact O-N 3.31Å; H481-R483 PolarHBondContact O-N 3.02Å; R483-H485 VanDerWaalsContact C-N 3.33Å; R483-T486 WeakPolarHBondContact CA-OG1 3.34Å; R483-G487 PolarHBondContact O-N 3.32Å; R483-Y491 PolarHBondContact NH1-OH 2.69Å
484	T	67.3	Low	69.3	Low	87 Å²	87	57.6 Å²	57.6	53%	0.534	30%	0.303	S	S	.	.	H	α-helix	trans	-81.2	-10.8	174.5	69.4	0	0	0	0	113.9	H481 Q482	H481-T484 PolarHBondContact CE1-OG1 2.71Å; H481-T484 PolarHBondContact ND1-OG1 3.18Å; H481-T484 WeakPolarHBondContact O-CA 3.48Å; H481-T484 WeakPolarHBondContact O-CB 3.2Å; H481-T484 PolarHBondContact O-N 2.82Å; H481-T484 PolarHBondContact O-OG1 2.81Å; Q482-T484 PolarHBondContact O-N 3.33Å
485	H	69.7	Low	68.9	Low	67 Å²	67	62.2 Å²	62.2	31%	0.31	32%	0.324	S	S	.	.	H	α-helix	trans	-102.3	-41.9	172.7	-55.4	-59.8	0	0	0	112.2	C465 I467 C468 H481 Q482 R483 G487	C465-H485 PolarHBondContact SG-NE2 2.9Å; C465-H485 VanDerWaalsContact SG-NE2 3.41Å; I467-H485 HydrophobicContact CB-CB 4.49Å; I467-H485 HydrophobicContact CD1-CB 3.69Å; I467-H485 HydrophobicContact CG2-CB 3.97Å; C468-H485 PolarHBondContact SG-CE1 3.17Å; C468-H485 PolarHBondContact SG-NE2 3.24Å; H481-H485 AromaticContact CD2-NE2 3.86Å; H481-H485 AromaticContact CE1-CE1 3.7Å; H481-H485 AromaticContact CE1-NE2 3.24Å; H481-H485 PolarHBondContact CE1-NE2 2.95Å; H481-H485 AromaticContact NE2-CD2 3.99Å; H481-H485 AromaticContact NE2-CE1 3.75Å; H481-H485 AromaticContact NE2-NE2 2.99Å; H481-H485 PolarHBondContact NE2-NE2 2.92Å; Q482-H485 PolarHBondContact O-N 3.01Å; R483-H485 VanDerWaalsContact C-N 3.33Å; H485-G487 PolarHBondContact O-N 3.48Å
486	T	63.9	Low	68.5	Low	81 Å²	81	63.6 Å²	63.6	50%	0.497	34%	0.335	S	S	.	.	H	α-helix	trans	-68.6	-15.7	175.8	59.7	0	0	0	0	112.8	Q482 R483 E488	Q482-T486 PolarHBondContact O-N 2.91Å; Q482-T486 VanDerWaalsContact O-N 3.15Å; R483-T486 WeakPolarHBondContact CA-OG1 3.34Å; T486-E488 WeakPolarHBondContact CB-OE2 3.48Å; T486-E488 PolarHBondContact O-N 2.72Å; T486-E488 WeakPolarHBondContact OG1-CG 3.01Å; T486-E488 PolarHBondContact OG1-N 3.12Å; T486-E488 PolarHBondContact OG1-OE2 3.29Å
487	G	62	Low	68.1	Low	50 Å²	50	63.2 Å²	63.2	52%	0.515	34%	0.338	S	S	.	.			trans	74.1	0.4	-176.3	0	0	0	0	0	113.8	R483 H485 K489	R483-G487 PolarHBondContact O-N 3.32Å; H485-G487 PolarHBondContact O-N 3.48Å; G487-K489 PolarHBondContact O-N 3.04Å
488	E	58.4	Low	67.5	Low	100 Å²	100	66.5 Å²	66.5	47%	0.467	35%	0.352	S	S	.	.			trans	-60.6	118.1	-177.2	-71.3	170.8	122.3	0	0	111.5	T486	T486-E488 WeakPolarHBondContact CB-OE2 3.48Å; T486-E488 PolarHBondContact O-N 2.72Å; T486-E488 WeakPolarHBondContact OG1-CG 3.01Å; T486-E488 PolarHBondContact OG1-N 3.12Å; T486-E488 PolarHBondContact OG1-OE2 3.29Å
489	K	64.4	Low	67	Low	116 Å²	116	69.5 Å²	69.5	50%	0.504	37%	0.367	S	S	.	.			trans	-122.6	84.8	172.2	-66.4	166.5	168.5	-166.8	0	107.7	G487 Y491 I499 F500	G487-K489 PolarHBondContact O-N 3.04Å; K489-Y491 PolarHBondContact O-N 2.87Å; K489-I499 HydrophobicContact CB-CB 4.05Å; K489-I499 HydrophobicContact CB-CG2 3.53Å; K489-I499 HydrophobicContact CD-CB 4.15Å; K489-I499 WeakPolarHBondContact CD-O 3.43Å; K489-I499 WeakPolarHBondContact O-CG2 3.37Å; K489-F500 CarbonylContact C-O 3.6Å; K489-F500 WeakPolarHBondContact CA-O 3.38Å
490	P	68.8	Low	67	Low	36 Å²	36	68.2 Å²	68.2	23%	0.234	36%	0.36	C	S	.	.			trans	-71	-15.4	-171	-20.2	33.3	0	0	0	114.4	S237 A240	S237-P490 PolarHBondContact OG-O 3.23Å; A240-P490 HydrophobicContact CB-CB 3.43Å; A240-P490 VanDerWaalsContact CB-CB 3.43Å; A240-P490 HydrophobicContact CB-CG 4.23Å
491	Y	70.2	Confident	66.7	Low	5 Å²	5	64.1 Å²	64.1	2%	0.02	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	93.7	-167.9	-46.3	-78	0	0	0	110.3	A240 D244 R483 K489 F500 S503	A240-Y491 HydrophobicContact CB-CE1 4.28Å; D244-Y491 PolarHBondContact OD2-OH 2.95Å; R483-Y491 PolarHBondContact NH1-OH 2.69Å; K489-Y491 PolarHBondContact O-N 2.87Å; Y491-F500 WeakPolarHBondContact CD2-O 3.42Å; Y491-F500 PolarHBondContact N-O 3.03Å; Y491-F500 PolarHBondContact O-N 3.35Å; Y491-S503 VanDerWaalsContact CD2-N 3.28Å
492	K	68.6	Low	66.3	Low	125 Å²	125	65.2 Å²	65.2	54%	0.543	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	138.6	176.8	-173.4	179.9	175.9	-173.2	0	110.4	I499 L506	K492-I499 HydrophobicContact CB-CG2 4.24Å; K492-L506 WeakPolarHBondContact O-CD2 3.48Å
493	C	69.8	Low	66.2	Low	0 Å²	0	65.1 Å²	65.1	0%	0	36%	0.361	C	S	.	.			trans	-75.7	125.1	168.2	179.1	0	0	0	0	110	E495 C496 G497 E498 F500 L506 H509 H513	C493-E495 VanDerWaalsContact C-N 3.32Å; C493-E495 PolarHBondContact O-N 3.23Å; C493-C496 VanDerWaalsContact SG-SG 3.68Å; C493-G497 VanDerWaalsContact O-CA 3.24Å; C493-G497 WeakPolarHBondContact O-CA 3.42Å; C493-G497 PolarHBondContact O-N 2.95Å; C493-E498 WeakPolarHBondContact CB-O 3.46Å; C493-E498 PolarHBondContact N-O 3.12Å; C493-F500 HydrophobicContact CB-CE2 4.29Å; C493-L506 HydrophobicContact CB-CD1 3.7Å; C493-H509 PolarHBondContact SG-NE2 2.94Å; C493-H509 VanDerWaalsContact SG-NE2 3.43Å; C493-H513 PolarHBondContact SG-NE2 2.94Å; C493-H513 VanDerWaalsContact SG-NE2 3.38Å
494	P	63.6	Low	66.2	Low	102 Å²	102	66.4 Å²	66.4	66%	0.662	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-34.4	178.6	25.7	-32.7	0	0	0	112.3
495	E	66.9	Low	66.5	Low	106 Å²	106	64.1 Å²	64.1	50%	0.495	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-28	-170.9	-64.6	160.5	-86.5	0	0	114.3	C493 H513	C493-E495 VanDerWaalsContact C-N 3.32Å; C493-E495 PolarHBondContact O-N 3.23Å; E495-H513 IonicContact OE1-CD2 2.03Å; E495-H513 PolarHBondContact OE1-CD2 2.86Å; E495-H513 WeakPolarHBondContact OE2-CB 3.15Å; E495-H513 IonicContact OE2-CD2 3.45Å; E495-H513 IonicContact OE2-CG 3.02Å
496	C	63.2	Low	66.6	Low	63 Å²	63	61.8 Å²	61.8	43%	0.426	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.3	3.6	-178.5	74.4	0	0	0	0	115.1	C493 E498 H509 H513	C493-C496 VanDerWaalsContact SG-SG 3.68Å; C496-E498 PolarHBondContact O-N 3.08Å; C496-E498 VanDerWaalsContact O-N 3.07Å; C496-H509 VanDerWaalsContact SG-CE1 3.59Å; C496-H509 PolarHBondContact SG-NE2 3.1Å; C496-H513 PolarHBondContact SG-NE2 3.24Å; C496-H513 VanDerWaalsContact SG-NE2 3.44Å
497	G	63.3	Low	67	Low	30 Å²	30	62.7 Å²	62.7	31%	0.309	35%	0.352	S	S	.	.			trans	72.5	-7.8	176.7	0	0	0	0	0	116.5	C493 I499	C493-G497 VanDerWaalsContact O-CA 3.24Å; C493-G497 WeakPolarHBondContact O-CA 3.42Å; C493-G497 PolarHBondContact O-N 2.95Å; G497-I499 VanDerWaalsContact O-CG1 3.23Å; G497-I499 WeakPolarHBondContact O-CG1 3.46Å
498	E	62.3	Low	67.4	Low	113 Å²	113	65.1 Å²	65.1	53%	0.528	35%	0.346	S	S	.	.			trans	-56.7	137.8	176.5	-86.2	-73	-173.7	0	0	112.1	C493 C496 F500	C493-E498 WeakPolarHBondContact CB-O 3.46Å; C493-E498 PolarHBondContact N-O 3.12Å; C496-E498 PolarHBondContact O-N 3.08Å; C496-E498 VanDerWaalsContact O-N 3.07Å; E498-F500 HydrophobicContact CB-CE2 3.84Å; E498-F500 HydrophobicContact CB-CZ 3.92Å; E498-F500 WeakPolarHBondContact O-CE2 3.49Å
499	I	65.9	Low	68.1	Low	75 Å²	75	61.6 Å²	61.6	39%	0.385	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.5	-167.5	-27.9	177	0	0	0	111.5	K489 K492 G497	K489-I499 HydrophobicContact CB-CB 4.05Å; K489-I499 HydrophobicContact CB-CG2 3.53Å; K489-I499 HydrophobicContact CD-CB 4.15Å; K489-I499 WeakPolarHBondContact CD-O 3.43Å; K489-I499 WeakPolarHBondContact O-CG2 3.37Å; K492-I499 HydrophobicContact CB-CG2 4.24Å; G497-I499 VanDerWaalsContact O-CG1 3.23Å; G497-I499 WeakPolarHBondContact O-CG1 3.46Å
500	F	70.8	Confident	68.2	Low	40 Å²	40	58.7 Å²	58.7	18%	0.175	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	144	-172.2	-59.4	-84.7	0	0	0	111.9	K489 Y491 C493 E498 H502 N505 L506 H509	K489-F500 CarbonylContact C-O 3.6Å; K489-F500 WeakPolarHBondContact CA-O 3.38Å; Y491-F500 WeakPolarHBondContact CD2-O 3.42Å; Y491-F500 PolarHBondContact N-O 3.03Å; Y491-F500 PolarHBondContact O-N 3.35Å; C493-F500 HydrophobicContact CB-CE2 4.29Å; E498-F500 HydrophobicContact CB-CE2 3.84Å; E498-F500 HydrophobicContact CB-CZ 3.92Å; E498-F500 WeakPolarHBondContact O-CE2 3.49Å; F500-H502 VanDerWaalsContact C-N 3.28Å; F500-H502 PolarHBondContact O-N 2.85Å; F500-N505 HydrophobicContact CB-CB 4.17Å; F500-N505 HydrophobicContact CD1-CB 3.9Å; F500-N505 HydrophobicContact CG-CB 4.29Å; F500-L506 HydrophobicContact CB-CB 4.31Å; F500-L506 HydrophobicContact CD2-CB 3.91Å; F500-L506 HydrophobicContact CD2-CD1 3.97Å; F500-L506 HydrophobicContact CE2-CD1 4.16Å; F500-L506 HydrophobicContact CG-CB 4.27Å; F500-H509 HydrophobicContact CE1-CB 4.06Å; F500-H509 HydrophobicContact CE2-CB 4.02Å; F500-H509 AromaticContact CE2-CD2 3.41Å; F500-H509 VanDerWaalsContact CE2-CD2 3.41Å; F500-H509 WeakPolarHBondContact CE2-CD2 3.46Å; F500-H509 AromaticContact CE2-CG 3.66Å; F500-H509 AromaticContact CE2-NE2 3.93Å; F500-H509 HydrophobicContact CZ-CB 3.58Å; F500-H509 AromaticContact CZ-CD2 3.51Å; F500-H509 AromaticContact CZ-CE1 3.99Å; F500-H509 AromaticContact CZ-CG 3.27Å; F500-H509 AromaticContact CZ-ND1 3.62Å; F500-H509 AromaticContact CZ-NE2 3.94Å
501	A	64.8	Low	68.4	Low	26 Å²	26	59.6 Å²	59.6	22%	0.215	32%	0.316	C	S	.	.	S	Bend	trans	-74.4	-15.7	175.1	0	0	0	0	0	113.8
502	H	67.4	Low	68.4	Low	48 Å²	48	65.2 Å²	65.2	22%	0.222	35%	0.345	C	S	.	.	S	Bend	trans	-140.8	137.7	-175.8	-45.7	-28.6	0	0	0	110.9	R480 F500 S504 N505 L506	R480-H502 WeakPolarHBondContact CG-CE1 3.38Å; F500-H502 VanDerWaalsContact C-N 3.28Å; F500-H502 PolarHBondContact O-N 2.85Å; H502-S504 VanDerWaalsContact C-N 3.3Å; H502-S504 PolarHBondContact O-N 3.21Å; H502-N505 PolarHBondContact CD2-ND2 2.9Å; H502-N505 VanDerWaalsContact CD2-ND2 3.34Å; H502-N505 WeakPolarHBondContact O-CB 3.47Å; H502-N505 PolarHBondContact O-N 3.01Å; H502-L506 PolarHBondContact O-N 3.39Å
503	S	69.1	Low	68.1	Low	52 Å²	52	62.7 Å²	62.7	36%	0.364	34%	0.336	S	S	.	.	H	α-helix	trans	-54.9	-41.5	176.7	54.4	0	0	0	0	113	Y491 N505 L506 L507	Y491-S503 VanDerWaalsContact CD2-N 3.28Å; S503-N505 PolarHBondContact O-N 3.43Å; S503-L506 WeakPolarHBondContact O-CB 2.99Å; S503-L506 PolarHBondContact O-N 3.31Å; S503-L506 VanDerWaalsContact O-N 3.08Å; S503-L507 PolarHBondContact O-N 3.44Å
504	S	70.4	Confident	67.9	Low	73 Å²	73	66.2 Å²	66.2	51%	0.51	36%	0.357	S	S	.	.	H	α-helix	trans	-66.2	-16.5	176.7	64.1	0	0	0	0	114.6	H502 R508	H502-S504 VanDerWaalsContact C-N 3.3Å; H502-S504 PolarHBondContact O-N 3.21Å; S504-R508 WeakPolarHBondContact O-CB 3.39Å
505	N	72.6	Confident	68	Low	39 Å²	39	63.6 Å²	63.6	21%	0.209	35%	0.348	C	S	.	.	H	α-helix	trans	-84.6	-40	169.3	-72.5	-36.3	0	0	0	111.2	F500 H502 S503 R508 H509	F500-N505 HydrophobicContact CB-CB 4.17Å; F500-N505 HydrophobicContact CD1-CB 3.9Å; F500-N505 HydrophobicContact CG-CB 4.29Å; H502-N505 PolarHBondContact CD2-ND2 2.9Å; H502-N505 VanDerWaalsContact CD2-ND2 3.34Å; H502-N505 WeakPolarHBondContact O-CB 3.47Å; H502-N505 PolarHBondContact O-N 3.01Å; S503-N505 PolarHBondContact O-N 3.43Å; N505-R508 PolarHBondContact O-N 2.91Å; N505-R508 PolarHBondContact OD1-NH1 3.46Å; N505-R508 PolarHBondContact OD1-NH2 3.34Å; N505-H509 WeakPolarHBondContact O-CB 3.48Å; N505-H509 PolarHBondContact O-N 2.99Å
506	L	73.3	Confident	67.8	Low	17 Å²	17	62.8 Å²	62.8	9%	0.089	35%	0.345	C	S	.	.	H	α-helix	trans	-61.1	-52.5	173.5	170.2	58.8	0	0	0	111.2	K492 C493 F500 H502 S503 R508 H509 Q510	K492-L506 WeakPolarHBondContact O-CD2 3.48Å; C493-L506 HydrophobicContact CB-CD1 3.7Å; F500-L506 HydrophobicContact CB-CB 4.31Å; F500-L506 HydrophobicContact CD2-CB 3.91Å; F500-L506 HydrophobicContact CD2-CD1 3.97Å; F500-L506 HydrophobicContact CE2-CD1 4.16Å; F500-L506 HydrophobicContact CG-CB 4.27Å; H502-L506 PolarHBondContact O-N 3.39Å; S503-L506 WeakPolarHBondContact O-CB 2.99Å; S503-L506 PolarHBondContact O-N 3.31Å; S503-L506 VanDerWaalsContact O-N 3.08Å; L506-R508 PolarHBondContact O-N 2.78Å; L506-H509 CarbonylContact O-C 3.51Å; L506-H509 WeakPolarHBondContact O-CA 3.47Å; L506-H509 WeakPolarHBondContact O-CB 3.25Å; L506-H509 PolarHBondContact O-N 3.06Å; L506-Q510 HydrophobicContact CD1-CG 3.94Å; L506-Q510 HydrophobicContact CG-CG 4.46Å; L506-Q510 PolarHBondContact O-N 3.1Å
507	L	71.1	Confident	68.2	Low	100 Å²	100	64.8 Å²	64.8	52%	0.524	34%	0.343	S	S	.	.	H	α-helix	trans	-59.8	-33.2	179.9	-175.5	65.5	0	0	0	112.5	S503	S503-L507 PolarHBondContact O-N 3.44Å
508	R	70.8	Confident	68.6	Low	101 Å²	101	66.5 Å²	66.5	38%	0.381	35%	0.349	S	S	.	.	H	α-helix	trans	-73.7	-27.4	173.5	-172	-177.2	67.7	-115.5	-3.5	112.7	S504 N505 L506 R530	S504-R508 WeakPolarHBondContact O-CB 3.39Å; N505-R508 PolarHBondContact O-N 2.91Å; N505-R508 PolarHBondContact OD1-NH1 3.46Å; N505-R508 PolarHBondContact OD1-NH2 3.34Å; L506-R508 PolarHBondContact O-N 2.78Å; R508-R530 HydrophobicContact CG-CG 4.47Å
509	H	73.3	Confident	69.1	Low	26 Å²	26	65.1 Å²	65.1	12%	0.12	34%	0.34	C	S	.	.	H	α-helix	trans	-81.3	-35.8	178	162.6	82.2	0	0	0	112.3	C493 C496 F500 N505 L506 R511 I512 H513	C493-H509 PolarHBondContact SG-NE2 2.94Å; C493-H509 VanDerWaalsContact SG-NE2 3.43Å; C496-H509 VanDerWaalsContact SG-CE1 3.59Å; C496-H509 PolarHBondContact SG-NE2 3.1Å; F500-H509 HydrophobicContact CE1-CB 4.06Å; F500-H509 HydrophobicContact CE2-CB 4.02Å; F500-H509 AromaticContact CE2-CD2 3.41Å; F500-H509 VanDerWaalsContact CE2-CD2 3.41Å; F500-H509 WeakPolarHBondContact CE2-CD2 3.46Å; F500-H509 AromaticContact CE2-CG 3.66Å; F500-H509 AromaticContact CE2-NE2 3.93Å; F500-H509 HydrophobicContact CZ-CB 3.58Å; F500-H509 AromaticContact CZ-CD2 3.51Å; F500-H509 AromaticContact CZ-CE1 3.99Å; F500-H509 AromaticContact CZ-CG 3.27Å; F500-H509 AromaticContact CZ-ND1 3.62Å; F500-H509 AromaticContact CZ-NE2 3.94Å; N505-H509 WeakPolarHBondContact O-CB 3.48Å; N505-H509 PolarHBondContact O-N 2.99Å; L506-H509 CarbonylContact O-C 3.51Å; L506-H509 WeakPolarHBondContact O-CA 3.47Å; L506-H509 WeakPolarHBondContact O-CB 3.25Å; L506-H509 PolarHBondContact O-N 3.06Å; H509-R511 PolarHBondContact O-N 3Å; H509-I512 WeakPolarHBondContact O-CB 3.38Å; H509-I512 VanDerWaalsContact O-CG1 3.3Å; H509-I512 WeakPolarHBondContact O-CG1 3.33Å; H509-I512 PolarHBondContact O-N 3.4Å; H509-H513 AromaticContact CD2-NE2 3.78Å; H509-H513 AromaticContact CE1-CE1 3.76Å; H509-H513 AromaticContact CE1-NE2 3.5Å; H509-H513 AromaticContact NE2-CE1 3.74Å; H509-H513 AromaticContact NE2-NE2 3.04Å; H509-H513 PolarHBondContact NE2-NE2 3.35Å
510	Q	66.1	Low	69.4	Low	55 Å²	55	68.6 Å²	68.6	26%	0.257	35%	0.352	S	S	.	.	H	α-helix	trans	-57.4	-32.7	174.8	-71.6	171.9	-75	0	0	112.4	L506 I512 H513 T514	L506-Q510 HydrophobicContact CD1-CG 3.94Å; L506-Q510 HydrophobicContact CG-CG 4.46Å; L506-Q510 PolarHBondContact O-N 3.1Å; Q510-I512 PolarHBondContact O-N 3.3Å; Q510-H513 PolarHBondContact O-N 3.32Å; Q510-T514 PolarHBondContact O-N 3.23Å
511	R	73	Confident	69.4	Low	56 Å²	56	66.8 Å²	66.8	21%	0.211	34%	0.344	C	S	.	.	H	α-helix	trans	-62	-7.2	171.3	-60.9	-178	179.9	179.4	-0.7	115.4	H509 E516 S529	H509-R511 PolarHBondContact O-N 3Å; R511-E516 HydrophobicContact CB-CB 4.03Å; R511-E516 HydrophobicContact CG-CB 3.87Å; R511-E516 IonicContact NE-OE2 2.8Å; R511-E516 PolarHBondContact O-N 3.06Å; R511-S529 PolarHBondContact NH1-O 3.31Å
512	I	69.6	Low	69.7	Low	122 Å²	122	70.8 Å²	70.8	63%	0.626	37%	0.368	S	S	*	.	H	α-helix	trans	-81.1	-38.6	170.5	-57.8	174.6	0	0	0	109.6	H509 Q510	H509-I512 WeakPolarHBondContact O-CB 3.38Å; H509-I512 VanDerWaalsContact O-CG1 3.3Å; H509-I512 WeakPolarHBondContact O-CG1 3.33Å; H509-I512 PolarHBondContact O-N 3.4Å; Q510-I512 PolarHBondContact O-N 3.3Å
513	H	62.8	Low	69.7	Low	73 Å²	73	75.2 Å²	75.2	34%	0.338	39%	0.389	S	S	.	.	H	α-helix	trans	-81.2	-45.9	179.4	-47.2	-47	0	0	0	111.5	C493 E495 C496 H509 Q510 G515	C493-H513 PolarHBondContact SG-NE2 2.94Å; C493-H513 VanDerWaalsContact SG-NE2 3.38Å; E495-H513 IonicContact OE1-CD2 2.03Å; E495-H513 PolarHBondContact OE1-CD2 2.86Å; E495-H513 WeakPolarHBondContact OE2-CB 3.15Å; E495-H513 IonicContact OE2-CD2 3.45Å; E495-H513 IonicContact OE2-CG 3.02Å; C496-H513 PolarHBondContact SG-NE2 3.24Å; C496-H513 VanDerWaalsContact SG-NE2 3.44Å; H509-H513 AromaticContact CD2-NE2 3.78Å; H509-H513 AromaticContact CE1-CE1 3.76Å; H509-H513 AromaticContact CE1-NE2 3.5Å; H509-H513 AromaticContact NE2-CE1 3.74Å; H509-H513 AromaticContact NE2-NE2 3.04Å; H509-H513 PolarHBondContact NE2-NE2 3.35Å; Q510-H513 PolarHBondContact O-N 3.32Å; H513-G515 PolarHBondContact O-N 3.18Å
514	T	65.2	Low	69.8	Low	73 Å²	73	75.1 Å²	75.1	45%	0.448	39%	0.387	S	S	.	.	S	Bend	trans	-72.3	-6.5	176	69.2	0	0	0	0	113.7	Q510 E516	Q510-T514 PolarHBondContact O-N 3.23Å; T514-E516 PolarHBondContact O-N 2.91Å; T514-E516 VanDerWaalsContact O-N 3.08Å; T514-E516 WeakPolarHBondContact OG1-CB 3.43Å; T514-E516 WeakPolarHBondContact OG1-CG 3.4Å; T514-E516 PolarHBondContact OG1-OE1 3.11Å
515	G	65.7	Low	69.8	Low	47 Å²	47	73.9 Å²	73.9	49%	0.485	39%	0.386	S	S	.	.			trans	64.4	8.1	-176.6	0	0	0	0	0	114.9	H513 R517	H513-G515 PolarHBondContact O-N 3.18Å; G515-R517 WeakPolarHBondContact O-CG 3.49Å; G515-R517 PolarHBondContact O-N 3.12Å
516	E	62.8	Low	69.5	Low	89 Å²	89	77.3 Å²	77.3	42%	0.416	40%	0.399	S	S	.	.			trans	-59.6	125.1	-172.1	-94.6	173.1	-115.8	0	0	114	R511 T514 S529	R511-E516 HydrophobicContact CB-CB 4.03Å; R511-E516 HydrophobicContact CG-CB 3.87Å; R511-E516 IonicContact NE-OE2 2.8Å; R511-E516 PolarHBondContact O-N 3.06Å; T514-E516 PolarHBondContact O-N 2.91Å; T514-E516 VanDerWaalsContact O-N 3.08Å; T514-E516 WeakPolarHBondContact OG1-CB 3.43Å; T514-E516 WeakPolarHBondContact OG1-CG 3.4Å; T514-E516 PolarHBondContact OG1-OE1 3.11Å; E516-S529 WeakPolarHBondContact O-CB 3.38Å
517	R	72.4	Confident	69.5	Low	105 Å²	105	78 Å²	78	40%	0.396	41%	0.406	S	S	.	.			trans	-129.2	67.5	178.5	-65.7	170.2	83.9	114.6	1.8	111.1	G515 Y519 S527 F528	G515-R517 WeakPolarHBondContact O-CG 3.49Å; G515-R517 PolarHBondContact O-N 3.12Å; R517-Y519 PolarHBondContact O-N 2.76Å; R517-Y519 VanDerWaalsContact O-N 3.15Å; R517-S527 VanDerWaalsContact CZ-O 3.27Å; R517-S527 PolarHBondContact NE-O 3.44Å; R517-S527 PolarHBondContact NH2-O 3.38Å; R517-F528 CarbonylContact C-O 3.56Å; R517-F528 WeakPolarHBondContact CA-O 3.41Å
518	P	71.1	Confident	69.5	Low	67 Å²	67	74.9 Å²	74.9	44%	0.435	39%	0.388	S	S	.	.			trans	-66.6	-20	-168	-21.5	35	0	0	0	114.9	K520	P518-K520 PolarHBondContact O-N 2.88Å
519	Y	73.4	Confident	69.4	Low	83 Å²	83	71.9 Å²	71.9	33%	0.325	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	92.7	-175	-53.4	-75	0	0	0	109.7	R517 S527 F528 S531	R517-Y519 PolarHBondContact O-N 2.76Å; R517-Y519 VanDerWaalsContact O-N 3.15Å; Y519-S527 CarbonylContact O-C 3.54Å; Y519-F528 WeakPolarHBondContact CB-O 3.49Å; Y519-F528 WeakPolarHBondContact CD2-O 3.42Å; Y519-F528 PolarHBondContact N-O 3.46Å; Y519-F528 PolarHBondContact O-N 3.28Å; Y519-S531 VanDerWaalsContact CE2-N 3.3Å
520	K	70.9	Confident	69.2	Low	149 Å²	149	75.4 Å²	75.4	65%	0.648	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	136.8	178	-52.6	-160.9	175.7	177.4	0	111.2	P518 S527	P518-K520 PolarHBondContact O-N 2.88Å; K520-S527 WeakPolarHBondContact CG-OG 3.47Å
521	C	72.3	Confident	69	Low	2 Å²	2	75.6 Å²	75.6	1%	0.014	40%	0.402	C	S	.	.			trans	-75.7	125.5	170.5	-174.1	0	0	0	0	110	E523 G525 K526 L534	C521-E523 VanDerWaalsContact C-N 3.33Å; C521-E523 PolarHBondContact O-N 3.08Å; C521-G525 VanDerWaalsContact O-CA 3.28Å; C521-G525 WeakPolarHBondContact O-CA 3.44Å; C521-G525 PolarHBondContact O-N 3.07Å; C521-K526 WeakPolarHBondContact CB-O 3.41Å; C521-K526 PolarHBondContact N-O 2.82Å; C521-L534 HydrophobicContact CB-CD1 3.65Å
522	P	69.8	Low	68.7	Low	109 Å²	109	75.2 Å²	75.2	71%	0.708	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-33.6	-179.7	26.1	-32.9	0	0	0	112.5
523	E	68.6	Low	68.8	Low	141 Å²	141	72.5 Å²	72.5	66%	0.659	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-19.8	-171.7	-60.7	-172.4	-175.8	0	0	114.3	C521 H541	C521-E523 VanDerWaalsContact C-N 3.33Å; C521-E523 PolarHBondContact O-N 3.08Å; E523-H541 WeakPolarHBondContact OE2-CB 3.39Å; E523-H541 IonicContact OE2-CD2 3.66Å; E523-H541 IonicContact OE2-CG 3.09Å
524	C	71.1	Confident	69.1	Low	50 Å²	50	69.9 Å²	69.9	34%	0.338	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147	14.4	179.4	71.7	0	0	0	0	115.6	K526 H537 H541	C524-K526 PolarHBondContact O-N 2.04Å; C524-H537 PolarHBondContact SG-NE2 2.82Å; C524-H541 WeakPolarHBondContact CB-NE2 3.4Å; C524-H541 PolarHBondContact SG-NE2 3.35Å
525	G	70.6	Confident	69.1	Low	47 Å²	47	68 Å²	68	49%	0.485	37%	0.369	S	S	.	.			trans	68.5	-13.4	176.4	0	0	0	0	0	116.5	C521 S527	C521-G525 VanDerWaalsContact O-CA 3.28Å; C521-G525 WeakPolarHBondContact O-CA 3.44Å; C521-G525 PolarHBondContact O-N 3.07Å; G525-S527 PolarHBondContact O-N 2.83Å; G525-S527 VanDerWaalsContact O-N 3.15Å; G525-S527 PolarHBondContact O-OG 2.88Å; G525-S527 VanDerWaalsContact O-OG 3.11Å
526	K	66.3	Low	69.1	Low	112 Å²	112	70.5 Å²	70.5	49%	0.487	37%	0.37	S	S	.	.			trans	-54.2	121.7	-178	-71.8	175.9	-171.8	162.9	0	110.3	C521 C524 F528	C521-K526 WeakPolarHBondContact CB-O 3.41Å; C521-K526 PolarHBondContact N-O 2.82Å; C524-K526 PolarHBondContact O-N 2.04Å; K526-F528 HydrophobicContact CB-CE2 3.87Å; K526-F528 HydrophobicContact CB-CZ 4.08Å; K526-F528 WeakPolarHBondContact O-CD2 3.5Å; K526-F528 WeakPolarHBondContact O-CE2 3.43Å
527	S	72.1	Confident	69.4	Low	31 Å²	31	67.3 Å²	67.3	22%	0.217	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	143.8	-173.1	-58.5	0	0	0	0	111.2	R517 Y519 K520 G525	R517-S527 VanDerWaalsContact CZ-O 3.27Å; R517-S527 PolarHBondContact NE-O 3.44Å; R517-S527 PolarHBondContact NH2-O 3.38Å; Y519-S527 CarbonylContact O-C 3.54Å; K520-S527 WeakPolarHBondContact CG-OG 3.47Å; G525-S527 PolarHBondContact O-N 2.83Å; G525-S527 VanDerWaalsContact O-N 3.15Å; G525-S527 PolarHBondContact O-OG 2.88Å; G525-S527 VanDerWaalsContact O-OG 3.11Å
528	F	72.6	Confident	69	Low	35 Å²	35	65.3 Å²	65.3	15%	0.154	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	144.7	-176.4	-58.7	-92.4	0	0	0	112.1	R517 Y519 K526 R530 H533 L534 H537	R517-F528 CarbonylContact C-O 3.56Å; R517-F528 WeakPolarHBondContact CA-O 3.41Å; Y519-F528 WeakPolarHBondContact CB-O 3.49Å; Y519-F528 WeakPolarHBondContact CD2-O 3.42Å; Y519-F528 PolarHBondContact N-O 3.46Å; Y519-F528 PolarHBondContact O-N 3.28Å; K526-F528 HydrophobicContact CB-CE2 3.87Å; K526-F528 HydrophobicContact CB-CZ 4.08Å; K526-F528 WeakPolarHBondContact O-CD2 3.5Å; K526-F528 WeakPolarHBondContact O-CE2 3.43Å; F528-R530 VanDerWaalsContact C-N 3.25Å; F528-R530 PolarHBondContact O-N 2.93Å; F528-H533 HydrophobicContact CB-CB 4.35Å; F528-H533 HydrophobicContact CD1-CB 3.82Å; F528-H533 HydrophobicContact CG-CB 4.3Å; F528-L534 HydrophobicContact CD2-CB 4.12Å; F528-L534 HydrophobicContact CD2-CD1 4.22Å; F528-L534 HydrophobicContact CE2-CD1 4.35Å; F528-H537 HydrophobicContact CE1-CB 4.41Å; F528-H537 HydrophobicContact CE2-CB 4.21Å; F528-H537 AromaticContact CE2-CD2 3.28Å; F528-H537 WeakPolarHBondContact CE2-CD2 3.49Å; F528-H537 AromaticContact CE2-CG 3.97Å; F528-H537 HydrophobicContact CZ-CB 3.79Å; F528-H537 AromaticContact CZ-CD2 3.33Å; F528-H537 WeakPolarHBondContact CZ-CD2 3.41Å; F528-H537 AromaticContact CZ-CG 3.6Å
529	S	67.1	Low	68.8	Low	37 Å²	37	68 Å²	68	26%	0.259	35%	0.352	S	S	.	.	S	Bend	trans	-76	-10.3	174.8	56.2	0	0	0	0	113.9	R511 E516	R511-S529 PolarHBondContact NH1-O 3.31Å; E516-S529 WeakPolarHBondContact O-CB 3.38Å
530	R	69.4	Low	68.3	Low	100 Å²	100	65.7 Å²	65.7	38%	0.377	35%	0.347	S	S	.	.			trans	-137.3	129	-178.9	-63.6	177.1	62.1	171.6	-0.8	112.1	R508 F528 S532 H533 L534	R508-R530 HydrophobicContact CG-CG 4.47Å; F528-R530 VanDerWaalsContact C-N 3.25Å; F528-R530 PolarHBondContact O-N 2.93Å; R530-S532 PolarHBondContact NE-OG 3.24Å; R530-S532 PolarHBondContact NH2-OG 3.14Å; R530-S532 PolarHBondContact O-N 3.36Å; R530-H533 PolarHBondContact O-N 3.29Å; R530-L534 PolarHBondContact O-N 3.25Å
531	S	62.8	Low	68	Low	60 Å²	60	59.7 Å²	59.7	42%	0.42	32%	0.321	S	S	.	.	H	α-helix	trans	-56.6	-35.3	173.2	52.3	0	0	0	0	112.8	Y519 H533 L534 V535	Y519-S531 VanDerWaalsContact CE2-N 3.3Å; S531-H533 PolarHBondContact O-N 3.22Å; S531-L534 PolarHBondContact O-N 2.63Å; S531-V535 WeakPolarHBondContact O-CG2 3.35Å; S531-V535 PolarHBondContact O-N 2.96Å
532	S	65.8	Low	67	Low	48 Å²	48	65.7 Å²	65.7	34%	0.336	35%	0.349	S	S	.	.	H	α-helix	trans	-63	-21.1	175.6	62.1	0	0	0	0	114.1	R530 I536	R530-S532 PolarHBondContact NE-OG 3.24Å; R530-S532 PolarHBondContact NH2-OG 3.14Å; R530-S532 PolarHBondContact O-N 3.36Å; S532-I536 VanDerWaalsContact O-CD1 3.25Å; S532-I536 WeakPolarHBondContact O-CD1 2.98Å; S532-I536 VanDerWaalsContact O-CG1 3.27Å; S532-I536 WeakPolarHBondContact O-CG1 3.47Å
533	H	72.3	Confident	65.8	Low	65 Å²	65	67.4 Å²	67.4	30%	0.301	34%	0.341	S	S	.	.	H	α-helix	trans	-87.9	-38.2	173.8	-63.3	178.6	0	0	0	110.9	F528 R530 S531 I536 H537	F528-H533 HydrophobicContact CB-CB 4.35Å; F528-H533 HydrophobicContact CD1-CB 3.82Å; F528-H533 HydrophobicContact CG-CB 4.3Å; R530-H533 PolarHBondContact O-N 3.29Å; S531-H533 PolarHBondContact O-N 3.22Å; H533-I536 PolarHBondContact O-N 2.68Å; H533-H537 WeakPolarHBondContact O-CB 3.38Å; H533-H537 PolarHBondContact O-N 3.08Å
534	L	67.9	Low	64.5	Low	18 Å²	18	65.6 Å²	65.6	9%	0.094	33%	0.333	C	S	.	.	H	α-helix	trans	-56	-50.8	171.2	173.4	59.2	0	0	0	111.3	C521 F528 R530 S531 I536 H537 E538	C521-L534 HydrophobicContact CB-CD1 3.65Å; F528-L534 HydrophobicContact CD2-CB 4.12Å; F528-L534 HydrophobicContact CD2-CD1 4.22Å; F528-L534 HydrophobicContact CE2-CD1 4.35Å; R530-L534 PolarHBondContact O-N 3.25Å; S531-L534 PolarHBondContact O-N 2.63Å; L534-I536 PolarHBondContact O-N 3.29Å; L534-I536 VanDerWaalsContact O-N 3.15Å; L534-H537 CarbonylContact O-C 3.14Å; L534-H537 WeakPolarHBondContact O-CA 3.27Å; L534-H537 WeakPolarHBondContact O-CB 3.4Å; L534-H537 PolarHBondContact O-N 3.03Å; L534-E538 HydrophobicContact CD1-CG 3.82Å; L534-E538 HydrophobicContact CG-CG 4.21Å; L534-E538 WeakPolarHBondContact CG-OE1 3.33Å; L534-E538 WeakPolarHBondContact O-CG 3.46Å; L534-E538 PolarHBondContact O-N 3.13Å
535	V	66.6	Low	63	Low	32 Å²	32	74 Å²	74	19%	0.194	36%	0.357	C	S	.	.	H	α-helix	trans	-65.9	-19	179.6	176.3	0	0	0	0	113.7	S531 E538 R539	S531-V535 WeakPolarHBondContact O-CG2 3.35Å; S531-V535 PolarHBondContact O-N 2.96Å; V535-E538 WeakPolarHBondContact CA-OE2 3.42Å; V535-R539 VanDerWaalsContact O-CD 3.28Å; V535-R539 WeakPolarHBondContact O-CD 3.42Å; V535-R539 WeakPolarHBondContact O-CG 3.36Å; V535-R539 PolarHBondContact O-NE 3.01Å
536	I	65.2	Low	61.5	Low	101 Å²	101	78.1 Å²	78.1	52%	0.518	37%	0.368	S	S	.	.	H	α-helix	trans	-82	-31.3	170.6	-70.9	171.1	0	0	0	110.8	S532 H533 L534	S532-I536 VanDerWaalsContact O-CD1 3.25Å; S532-I536 WeakPolarHBondContact O-CD1 2.98Å; S532-I536 VanDerWaalsContact O-CG1 3.27Å; S532-I536 WeakPolarHBondContact O-CG1 3.47Å; H533-I536 PolarHBondContact O-N 2.68Å; L534-I536 PolarHBondContact O-N 3.29Å; L534-I536 VanDerWaalsContact O-N 3.15Å
537	H	68.8	Low	59.8	Low	21 Å²	21	82.4 Å²	82.4	10%	0.097	38%	0.382	C	S	.	.	H	α-helix	trans	-82.1	-36.1	179.7	169.8	44.2	0	0	0	113.7	C524 F528 H533 L534 R539 T540 H541	C524-H537 PolarHBondContact SG-NE2 2.82Å; F528-H537 HydrophobicContact CE1-CB 4.41Å; F528-H537 HydrophobicContact CE2-CB 4.21Å; F528-H537 AromaticContact CE2-CD2 3.28Å; F528-H537 WeakPolarHBondContact CE2-CD2 3.49Å; F528-H537 AromaticContact CE2-CG 3.97Å; F528-H537 HydrophobicContact CZ-CB 3.79Å; F528-H537 AromaticContact CZ-CD2 3.33Å; F528-H537 WeakPolarHBondContact CZ-CD2 3.41Å; F528-H537 AromaticContact CZ-CG 3.6Å; H533-H537 WeakPolarHBondContact O-CB 3.38Å; H533-H537 PolarHBondContact O-N 3.08Å; L534-H537 CarbonylContact O-C 3.14Å; L534-H537 WeakPolarHBondContact O-CA 3.27Å; L534-H537 WeakPolarHBondContact O-CB 3.4Å; L534-H537 PolarHBondContact O-N 3.03Å; H537-R539 PolarHBondContact O-N 3.27Å; H537-R539 VanDerWaalsContact O-N 3.12Å; H537-T540 PolarHBondContact ND1-OG1 3.06Å; H537-T540 WeakPolarHBondContact O-CB 3.09Å; H537-T540 PolarHBondContact O-N 3.46Å; H537-T540 PolarHBondContact O-OG1 3.28Å; H537-H541 AromaticContact CE1-NE2 3.26Å; H537-H541 PolarHBondContact CE1-NE2 2.97Å; H537-H541 VanDerWaalsContact CE1-NE2 3.26Å; H537-H541 AromaticContact NE2-NE2 3.83Å
538	E	64.6	Low	57.8	Low	64 Å²	64	86.8 Å²	86.8	30%	0.299	41%	0.41	S	S	.	.	H	α-helix	trans	-54.3	-33.9	172.4	-70.2	163.4	162.7	0	0	110.9	L534 V535 T540 H541 E542	L534-E538 HydrophobicContact CD1-CG 3.82Å; L534-E538 HydrophobicContact CG-CG 4.21Å; L534-E538 WeakPolarHBondContact CG-OE1 3.33Å; L534-E538 WeakPolarHBondContact O-CG 3.46Å; L534-E538 PolarHBondContact O-N 3.13Å; V535-E538 WeakPolarHBondContact CA-OE2 3.42Å; E538-T540 VanDerWaalsContact C-N 3.26Å; E538-T540 PolarHBondContact O-N 2.94Å; E538-H541 PolarHBondContact O-N 3Å; E538-E542 PolarHBondContact O-N 3.15Å
539	R	65.9	Low	55.6	Low	122 Å²	122	94.4 Å²	94.4	46%	0.46	44%	0.443	S	S	.	.	H	α-helix	trans	-71.8	-7.5	174.4	-60.9	170.5	177.5	-171.4	-5.1	115.1	V535 H537 E542	V535-R539 VanDerWaalsContact O-CD 3.28Å; V535-R539 WeakPolarHBondContact O-CD 3.42Å; V535-R539 WeakPolarHBondContact O-CG 3.36Å; V535-R539 PolarHBondContact O-NE 3.01Å; H537-R539 PolarHBondContact O-N 3.27Å; H537-R539 VanDerWaalsContact O-N 3.12Å; R539-E542 WeakPolarHBondContact CG-OE2 2.98Å
540	T	64.6	Low	54.4	Low	35 Å²	35	97 Å²	97	22%	0.215	46%	0.461	C	S	.	.	H	α-helix	trans	-79.8	-38.1	168.2	68.6	0	0	0	0	110.2	H537 E538 R543 E544	H537-T540 PolarHBondContact ND1-OG1 3.06Å; H537-T540 WeakPolarHBondContact O-CB 3.09Å; H537-T540 PolarHBondContact O-N 3.46Å; H537-T540 PolarHBondContact O-OG1 3.28Å; E538-T540 VanDerWaalsContact C-N 3.26Å; E538-T540 PolarHBondContact O-N 2.94Å; T540-R543 CarbonylContact O-C 3.44Å; T540-R543 WeakPolarHBondContact O-CA 3.29Å; T540-R543 WeakPolarHBondContact O-CB 3.18Å; T540-R543 PolarHBondContact O-N 3.25Å; T540-R543 VanDerWaalsContact O-N 3.07Å; T540-E544 WeakPolarHBondContact O-CG 3.39Å; T540-E544 PolarHBondContact O-N 2.97Å
541	H	64.3	Low	52.8	Low	24 Å²	24	100.6 Å²	100.6	11%	0.111	48%	0.483	C	S	.	.	H	α-helix	trans	-67.7	-41.4	175.2	-52	-45.8	0	0	0	112.4	E523 C524 H537 E538 R543 E544 R545	E523-H541 WeakPolarHBondContact OE2-CB 3.39Å; E523-H541 IonicContact OE2-CD2 3.66Å; E523-H541 IonicContact OE2-CG 3.09Å; C524-H541 WeakPolarHBondContact CB-NE2 3.4Å; C524-H541 PolarHBondContact SG-NE2 3.35Å; H537-H541 AromaticContact CE1-NE2 3.26Å; H537-H541 PolarHBondContact CE1-NE2 2.97Å; H537-H541 VanDerWaalsContact CE1-NE2 3.26Å; H537-H541 AromaticContact NE2-NE2 3.83Å; E538-H541 PolarHBondContact O-N 3Å; H541-R543 PolarHBondContact O-N 3.3Å; H541-E544 IonicContact CE1-OE1 2.66Å; H541-E544 IonicContact CE1-OE2 3.89Å; H541-E544 PolarHBondContact CE1-OE2 2.91Å; H541-E544 IonicContact ND1-OE2 3.25Å; H541-E544 PolarHBondContact ND1-OE2 3.42Å; H541-E544 IonicContact NE2-OE2 3.98Å; H541-E544 PolarHBondContact O-N 3.01Å; H541-R545 WeakPolarHBondContact O-CB 3.4Å; H541-R545 PolarHBondContact O-N 3.3Å
542	E	51.3	Low	51.1	Low	128 Å²	128	104.4 Å²	104.4	60%	0.598	51%	0.507	S	S	*	.	H	α-helix	trans	-54.2	-25.5	169.6	-67.8	-177.8	151.1	0	0	113	E538 R539	E538-E542 PolarHBondContact O-N 3.15Å; R539-E542 WeakPolarHBondContact CG-OE2 2.98Å
543	R	44.6	Very low	49.7	Very low	144 Å²	144	106 Å²	106	54%	0.543	53%	0.531	S	S	.	.	H	α-helix	trans	-94.7	-38.5	179.5	178.6	-179.3	-80.6	-161.3	-8.6	112.8	T540 H541 R545 L546 Y547 H566	T540-R543 CarbonylContact O-C 3.44Å; T540-R543 WeakPolarHBondContact O-CA 3.29Å; T540-R543 WeakPolarHBondContact O-CB 3.18Å; T540-R543 PolarHBondContact O-N 3.25Å; T540-R543 VanDerWaalsContact O-N 3.07Å; H541-R543 PolarHBondContact O-N 3.3Å; R543-R545 PolarHBondContact O-N 3.1Å; R543-L546 PolarHBondContact O-N 3.38Å; R543-Y547 PolarHBondContact O-N 3.29Å; R543-H566 PolarHBondContact NH1-O 3.08Å; R543-H566 PolarHBondContact NH2-O 3.19Å; R543-H566 VanDerWaalsContact NH2-O 3.14Å
544	E	41.6	Very low	47.5	Very low	103 Å²	103	111.7 Å²	111.7	48%	0.481	56%	0.558	S	S	.	*	H	α-helix	trans	-58.3	-36.5	172	-74.1	156.4	-165.2	0	0	110.4	T540 H541 L546 Y547	T540-E544 WeakPolarHBondContact O-CG 3.39Å; T540-E544 PolarHBondContact O-N 2.97Å; H541-E544 IonicContact CE1-OE1 2.66Å; H541-E544 IonicContact CE1-OE2 3.89Å; H541-E544 PolarHBondContact CE1-OE2 2.91Å; H541-E544 IonicContact ND1-OE2 3.25Å; H541-E544 PolarHBondContact ND1-OE2 3.42Å; H541-E544 IonicContact NE2-OE2 3.98Å; H541-E544 PolarHBondContact O-N 3.01Å; E544-L546 PolarHBondContact O-N 3.48Å; E544-L546 VanDerWaalsContact O-N 3.09Å; E544-Y547 CarbonylContact O-C 3.53Å; E544-Y547 VanDerWaalsContact O-C 3.29Å; E544-Y547 PolarHBondContact O-N 3.33Å
545	R	39.6	Very low	46	Very low	226 Å²	226	115.4 Å²	115.4	85%	0.853	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-10.5	174.3	-162	171.8	-175.7	127.1	2.9	115.1	H541 R543	H541-R545 WeakPolarHBondContact O-CB 3.4Å; H541-R545 PolarHBondContact O-N 3.3Å; R543-R545 PolarHBondContact O-N 3.1Å
546	L	37.8	Very low	44.1	Very low	135 Å²	135	120.3 Å²	120.3	71%	0.707	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	-14.2	177	-68.5	174.7	0	0	0	114.1	R543 E544	R543-L546 PolarHBondContact O-N 3.38Å; E544-L546 PolarHBondContact O-N 3.48Å; E544-L546 VanDerWaalsContact O-N 3.09Å
547	Y	31	Very low	42.8	Very low	201 Å²	201	120.1 Å²	120.1	79%	0.788	63%	0.629	S	S	*	*			trans	-148.1	94.3	171.9	-81.8	-77.5	0	0	0	109.6	R543 E544 F549	R543-Y547 PolarHBondContact O-N 3.29Å; E544-Y547 CarbonylContact O-C 3.53Å; E544-Y547 VanDerWaalsContact O-C 3.29Å; E544-Y547 PolarHBondContact O-N 3.33Å; Y547-F549 PolarHBondContact O-N 3.13Å
548	P	30.8	Very low	40.8	Very low	123 Å²	123	124.8 Å²	124.8	80%	0.799	65%	0.654	S	S	*	*			trans	-71.5	100.8	172.1	29.5	-32.7	0	0	0	109.1
549	F	25.4	Very low	39.4	Very low	195 Å²	195	126.2 Å²	126.2	86%	0.855	67%	0.672	S	S	*	*			trans	-94	106.9	165.1	-155	-85.9	0	0	0	108.5	Y547	Y547-F549 PolarHBondContact O-N 3.13Å
550	S	42	Very low	37.7	Very low	91 Å²	91	124.9 Å²	124.9	64%	0.636	68%	0.677	S	S	*	*			trans	-65.5	152.5	174	48.4	0	0	0	0	111.4
551	E	35.4	Very low	36.4	Very low	177 Å²	177	128.9 Å²	128.9	83%	0.827	70%	0.704	S	S	*	*			trans	60.8	92.6	170.4	-57.2	-172.5	138	0	0	116.6
552	C	26.7	Very low	34.9	Very low	139 Å²	139	136.2 Å²	136.2	94%	0.939	74%	0.736	S	S	*	*				-173.4	109.7	116.1	-100.2	0	0	0	0	109.1
553	G	36.8	Very low	34.1	Very low	81 Å²	81	135.7 Å²	135.7	84%	0.835	74%	0.736	S	S	*	*			trans	-95.3	122.2	175.8	0	0	0	0	0	111.9
554	E	27.7	Very low	33.5	Very low	186 Å²	186	133.7 Å²	133.7	87%	0.869	74%	0.74	S	S	*	*			trans	-158.2	144.6	139.4	-124.7	-175.7	-155.4	0	0	111.3
555	A	35.5	Very low	33	Very low	96 Å²	96	132.8 Å²	132.8	79%	0.793	74%	0.738	S	S	*	*			trans	-101.6	102	-172.9	0	0	0	0	0	111.5
556	V	27.2	Very low	32.7	Very low	134 Å²	134	128 Å²	128	81%	0.812	73%	0.725	S	S	*	*			trans	-100.6	105.8	173	-171.4	0	0	0	0	110.7	D558	V556-D558 PolarHBondContact O-N 3.34Å
557	S	36.4	Very low	32.2	Very low	98 Å²	98	124.4 Å²	124.4	69%	0.685	72%	0.721	S	S	*	*			trans	-80.1	104.1	169.1	53.2	0	0	0	0	111
558	D	26.7	Very low	32.4	Very low	118 Å²	118	119 Å²	119	63%	0.631	72%	0.718	S	S	*	*				-165.5	134.9	124.4	-120.1	-29.1	0	0	0	119.1	V556 T560	V556-D558 PolarHBondContact O-N 3.34Å; D558-T560 PolarHBondContact O-N 3.42Å
559	S	36.1	Very low	32.5	Very low	95 Å²	95	122.2 Å²	122.2	66%	0.664	72%	0.722	S	S	*	*			trans	33.6	39.9	134.4	-57.2	0	0	0	0	122.7
560	T	30.2	Very low	33.3	Very low	94 Å²	94	123.3 Å²	123.3	58%	0.577	73%	0.727	S	S	*	*			trans	-138	139.1	155.9	41.3	0	0	0	0	113	D558 F562	D558-T560 PolarHBondContact O-N 3.42Å; T560-F562 VanDerWaalsContact C-N 3.28Å; T560-F562 PolarHBondContact O-N 2.77Å; T560-F562 WeakPolarHBondContact OG1-CD2 3.29Å; T560-F562 WeakPolarHBondContact OG1-CE2 3.42Å
561	P	37.3	Very low	32.8	Very low	119 Å²	119	122.7 Å²	122.7	77%	0.773	73%	0.727	S	S	*	*			trans	-80.3	71.4	179.2	33.7	-35.6	0	0	0	111.7	L563	P561-L563 PolarHBondContact O-N 3.22Å; P561-L563 VanDerWaalsContact O-N 3.17Å
562	F	32.7	Very low	33.2	Very low	178 Å²	178	123.9 Å²	123.9	78%	0.781	73%	0.732	S	S	*	*			trans	-73.1	98.7	167.9	-87.1	-90	0	0	0	110.7	T560	T560-F562 VanDerWaalsContact C-N 3.28Å; T560-F562 PolarHBondContact O-N 2.77Å; T560-F562 WeakPolarHBondContact OG1-CD2 3.29Å; T560-F562 WeakPolarHBondContact OG1-CE2 3.42Å
563	L	34.9	Very low	34.3	Very low	116 Å²	116	124.6 Å²	124.6	61%	0.607	72%	0.719	S	S	*	*			trans	-162.3	82.4	140	-93.8	-162.7	0	0	0	110.6	P561	P561-L563 PolarHBondContact O-N 3.22Å; P561-L563 VanDerWaalsContact O-N 3.17Å
564	T	31.3	Very low	34.9	Very low	102 Å²	102	129.9 Å²	129.9	63%	0.626	72%	0.72	S	S	*	*			trans	-116.7	123.4	153.6	53.7	0	0	0	0	108.1
565	N	32	Very low	36.5	Very low	84 Å²	84	124.8 Å²	124.8	45%	0.449	70%	0.698	S	S	.	*			trans	83.8	134.2	-156.8	-66.6	-31.7	0	0	0	112.2	R586	N565-R586 PolarHBondContact OD1-NH1 3.08Å; N565-R586 PolarHBondContact OD1-NH2 3.19Å
566	H	32.7	Very low	38.2	Very low	125 Å²	125	125 Å²	125	58%	0.579	68%	0.681	S	S	*	*			cis	-137.4	-174.9	-10.1	-107.3	-67.1	0	0	0	108.2	R543	R543-H566 PolarHBondContact NH1-O 3.08Å; R543-H566 PolarHBondContact NH2-O 3.19Å; R543-H566 VanDerWaalsContact NH2-O 3.14Å
567	G	27.2	Very low	40	Very low	60 Å²	60	123.7 Å²	123.7	62%	0.619	67%	0.666	S	S	*	*			cis	-115.1	-166	3	0	0	0	0	0	114.4
568	A	34.8	Very low	41.8	Very low	87 Å²	87	119 Å²	119	72%	0.719	63%	0.633	S	S	*	*			trans	-104.6	132.7	-178.1	0	0	0	0	0	110.8
569	H	34.4	Very low	44.1	Very low	192 Å²	192	121.3 Å²	121.3	89%	0.889	65%	0.645	S	S	*	*			trans	-148.3	131.4	137.5	-96.6	-78.1	0	0	0	108.1	A571	H569-A571 PolarHBondContact O-N 3.23Å
570	K	41	Very low	45.7	Very low	218 Å²	218	121.3 Å²	121.3	95%	0.948	64%	0.641	S	S	*	*	S	Bend	trans	39.6	72	162.3	-121.1	174.1	-176.6	178.4	0	118
571	A	32.6	Very low	47.8	Very low	77 Å²	77	119.3 Å²	119.3	64%	0.636	63%	0.63	S	S	*	*			trans	-156.1	125.1	149.3	0	0	0	0	0	110.3	H569 K573	H569-A571 PolarHBondContact O-N 3.23Å; A571-K573 VanDerWaalsContact C-N 3.33Å; A571-K573 PolarHBondContact O-N 2.82Å
572	E	43	Very low	49.3	Very low	203 Å²	203	115.7 Å²	115.7	95%	0.949	61%	0.614	S	S	*	*			trans	-69.6	87	174.5	-70.4	174.9	-178.1	0	0	110.5	K574	E572-K574 PolarHBondContact O-N 3.1Å; E572-K574 VanDerWaalsContact O-N 3.08Å
573	K	50.1	Low	50.8	Low	153 Å²	153	113 Å²	113	67%	0.665	60%	0.602	S	S	*	*			trans	-71.8	103	172	-71	177.9	-179	172.4	0	108	A571 L575	A571-K573 VanDerWaalsContact C-N 3.33Å; A571-K573 PolarHBondContact O-N 2.82Å; K573-L575 WeakPolarHBondContact O-CG 3.15Å; K573-L575 PolarHBondContact O-N 2.89Å
574	K	50.1	Low	52.1	Low	193 Å²	193	110.2 Å²	110.2	84%	0.839	59%	0.592	S	S	*	*			trans	-49	106.7	172.4	-174.3	171	-175.4	171.8	0	109.8	E572	E572-K574 PolarHBondContact O-N 3.1Å; E572-K574 VanDerWaalsContact O-N 3.08Å
575	L	61.5	Low	53.9	Low	79 Å²	79	107.7 Å²	107.7	41%	0.414	57%	0.573	S	S	.	*			trans	-81.2	147.3	178.3	-59.4	176.6	0	0	0	109	K573 E577 R586	K573-L575 WeakPolarHBondContact O-CG 3.15Å; K573-L575 PolarHBondContact O-N 2.89Å; L575-E577 PolarHBondContact O-N 3.4Å; L575-R586 HydrophobicContact CD2-CG 3.85Å
576	F	70.4	Confident	55.3	Low	101 Å²	101	109.5 Å²	109.5	44%	0.443	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.9	95.3	172.8	-67.5	-93	0	0	0	107.2	F585 L591	F576-F585 HydrophobicContact CB-CB 4.49Å; F576-F585 PolarHBondContact N-O 3.05Å; F576-F585 PolarHBondContact O-N 3.47Å; F576-L591 HydrophobicContact CB-CB 3.82Å; F576-L591 HydrophobicContact CB-CD2 3.8Å; F576-L591 HydrophobicContact CB-CG 4.43Å
577	E	65.8	Low	56.8	Low	105 Å²	105	107.2 Å²	107.2	49%	0.491	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82	141.6	-176.2	-170	173	174.8	0	0	112.8	L575 L579 G582 L591	L575-E577 PolarHBondContact O-N 3.4Å; E577-L579 PolarHBondContact O-N 3.49Å; E577-G582 WeakPolarHBondContact OE1-CA 3.33Å; E577-L591 WeakPolarHBondContact O-CD2 3.42Å
578	C	74.1	Confident	58.5	Low	0 Å²	0	105.5 Å²	105.5	0%	0	55%	0.545	C	S	.	.			trans	-88.1	102.5	172.8	-166.4	0	0	0	0	110.8	T580 C581 G582 K583 F585 L591 H598	C578-T580 PolarHBondContact O-N 3.03Å; C578-C581 PolarHBondContact O-N 3.42Å; C578-G582 PolarHBondContact O-N 2.97Å; C578-K583 HydrophobicContact CB-CB 4.48Å; C578-K583 WeakPolarHBondContact CB-O 3.31Å; C578-K583 PolarHBondContact N-O 2.89Å; C578-F585 HydrophobicContact CB-CE2 4.35Å; C578-L591 VanDerWaalsContact CA-CD1 3.48Å; C578-L591 HydrophobicContact CB-CD1 3.51Å; C578-H598 VanDerWaalsContact SG-CD2 3.51Å; C578-H598 PolarHBondContact SG-NE2 3.46Å; C578-H598 VanDerWaalsContact SG-NE2 3.38Å
579	L	74.1	Confident	60.2	Low	166 Å²	166	107.1 Å²	107.1	87%	0.869	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-20.8	178.7	-56.7	178	0	0	0	114.2	E577	E577-L579 PolarHBondContact O-N 3.49Å
580	T	69.9	Low	62.1	Low	96 Å²	96	100.5 Å²	100.5	59%	0.589	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-17.7	178.4	-37.4	0	0	0	0	113.9	C578 H598	C578-T580 PolarHBondContact O-N 3.03Å; T580-H598 HydrophobicContact CG2-CB 4.02Å
581	C	74.4	Confident	63.6	Low	52 Å²	52	91 Å²	91	35%	0.351	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159.1	15.1	-174.4	71.2	0	0	0	0	116.5	C578 K583 H594 H598	C578-C581 PolarHBondContact O-N 3.42Å; C581-K583 PolarHBondContact O-N 3.38Å; C581-H594 PolarHBondContact SG-NE2 3.35Å; C581-H598 PolarHBondContact SG-NE2 3.43Å
582	G	67.5	Low	65.6	Low	42 Å²	42	90.8 Å²	90.8	43%	0.433	46%	0.459	S	S	.	.			trans	67.2	-2.2	179.1	0	0	0	0	0	116.1	E577 C578 S584	E577-G582 WeakPolarHBondContact OE1-CA 3.33Å; C578-G582 PolarHBondContact O-N 2.97Å; G582-S584 PolarHBondContact O-N 3.03Å
583	K	65.9	Low	67.2	Low	122 Å²	122	86 Å²	86	53%	0.53	43%	0.432	S	S	.	.			trans	-70	118.9	-175.2	-72	178.9	-177.1	173.2	0	110.7	C578 C581 F585	C578-K583 HydrophobicContact CB-CB 4.48Å; C578-K583 WeakPolarHBondContact CB-O 3.31Å; C578-K583 PolarHBondContact N-O 2.89Å; C581-K583 PolarHBondContact O-N 3.38Å; K583-F585 HydrophobicContact CB-CE2 3.62Å; K583-F585 HydrophobicContact CB-CZ 3.91Å; K583-F585 WeakPolarHBondContact O-CD2 3.31Å; K583-F585 WeakPolarHBondContact O-CE2 3.45Å
584	S	61.3	Low	68.3	Low	57 Å²	57	79.9 Å²	79.9	40%	0.399	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.2	-176.2	-98.7	0	0	0	0	113.1	G582	G582-S584 PolarHBondContact O-N 3.03Å
585	F	68.4	Low	69.5	Low	50 Å²	50	74 Å²	74	22%	0.219	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	147.6	-176.6	-62.7	-88.7	0	0	0	112.2	F576 C578 K583 Q587 H590 L591 H594	F576-F585 HydrophobicContact CB-CB 4.49Å; F576-F585 PolarHBondContact N-O 3.05Å; F576-F585 PolarHBondContact O-N 3.47Å; C578-F585 HydrophobicContact CB-CE2 4.35Å; K583-F585 HydrophobicContact CB-CE2 3.62Å; K583-F585 HydrophobicContact CB-CZ 3.91Å; K583-F585 WeakPolarHBondContact O-CD2 3.31Å; K583-F585 WeakPolarHBondContact O-CE2 3.45Å; F585-Q587 VanDerWaalsContact C-N 3.29Å; F585-Q587 PolarHBondContact O-N 3.48Å; F585-H590 HydrophobicContact CB-CB 4.08Å; F585-H590 HydrophobicContact CD1-CB 3.95Å; F585-H590 HydrophobicContact CG-CB 4.31Å; F585-L591 HydrophobicContact CB-CB 4.24Å; F585-L591 HydrophobicContact CD2-CB 4.12Å; F585-L591 HydrophobicContact CD2-CD1 4.11Å; F585-L591 HydrophobicContact CE2-CD1 4.49Å; F585-L591 HydrophobicContact CG-CB 4.39Å; F585-H594 HydrophobicContact CE1-CB 4.03Å; F585-H594 HydrophobicContact CE2-CB 3.83Å; F585-H594 AromaticContact CE2-CD2 3.22Å; F585-H594 WeakPolarHBondContact CE2-CD2 3.46Å; F585-H594 AromaticContact CE2-CG 3.69Å; F585-H594 HydrophobicContact CZ-CB 3.5Å; F585-H594 AromaticContact CZ-CD2 3.32Å; F585-H594 WeakPolarHBondContact CZ-CD2 3.29Å; F585-H594 AromaticContact CZ-CG 3.37Å
586	R	61.9	Low	70.4	Confident	122 Å²	122	72.5 Å²	72.5	46%	0.46	37%	0.37	S	S	.	.	S	Bend	trans	-81	-4.3	-178	-66.8	-174.6	177.6	171.1	8	115.2	N565 L575	N565-R586 PolarHBondContact OD1-NH1 3.08Å; N565-R586 PolarHBondContact OD1-NH2 3.19Å; L575-R586 HydrophobicContact CD2-CG 3.85Å
587	Q	64.1	Low	70.6	Confident	77 Å²	77	72.2 Å²	72.2	36%	0.36	38%	0.377	S	S	.	.	S	Bend	trans	-150.3	137.6	-175.9	-67.1	176.6	-16.8	0	0	109.2	F585 M589 H590 L591	F585-Q587 VanDerWaalsContact C-N 3.29Å; F585-Q587 PolarHBondContact O-N 3.48Å; Q587-M589 VanDerWaalsContact C-N 3.27Å; Q587-M589 HydrophobicContact CB-CG 4.04Å; Q587-M589 PolarHBondContact O-N 3.38Å; Q587-H590 HydrophobicContact CB-CB 4.46Å; Q587-H590 WeakPolarHBondContact O-CB 3.29Å; Q587-H590 PolarHBondContact O-N 2.95Å; Q587-H590 PolarHBondContact OE1-CE1 3.28Å; Q587-H590 VanDerWaalsContact OE1-CE1 3.3Å; Q587-H590 PolarHBondContact OE1-ND1 3.06Å; Q587-L591 PolarHBondContact O-N 3.19Å
588	G	63.9	Low	71.1	Confident	24 Å²	24	70.7 Å²	70.7	25%	0.247	37%	0.37	C	S	.	.	H	α-helix	trans	-54	-41.6	177.9	0	0	0	0	0	113	H590 L591 T592	G588-H590 PolarHBondContact O-N 3.32Å; G588-H590 VanDerWaalsContact O-N 3.15Å; G588-L591 WeakPolarHBondContact O-CB 3.44Å; G588-L591 PolarHBondContact O-N 3.23Å; G588-L591 VanDerWaalsContact O-N 3.1Å; G588-T592 PolarHBondContact O-N 3.45Å; G588-T592 PolarHBondContact O-OG1 3.1Å
589	M	69.3	Low	71.2	Confident	120 Å²	120	74.8 Å²	74.8	59%	0.591	40%	0.395	S	S	*	.	H	α-helix	trans	-60.3	-26	175.9	63.2	173.5	-78.8	0	0	114.4	Q587 R593	Q587-M589 VanDerWaalsContact C-N 3.27Å; Q587-M589 HydrophobicContact CB-CG 4.04Å; Q587-M589 PolarHBondContact O-N 3.38Å; M589-R593 VanDerWaalsContact O-CB 3.24Å; M589-R593 WeakPolarHBondContact O-CB 3.33Å; M589-R593 PolarHBondContact O-N 2.75Å; M589-R593 VanDerWaalsContact O-N 3.07Å
590	H	74.4	Confident	71.2	Confident	53 Å²	53	69.4 Å²	69.4	25%	0.245	38%	0.38	C	S	.	.	H	α-helix	trans	-82.4	-35.3	176.2	-71.8	170.9	0	0	0	111.9	F585 Q587 G588 R593 H594	F585-H590 HydrophobicContact CB-CB 4.08Å; F585-H590 HydrophobicContact CD1-CB 3.95Å; F585-H590 HydrophobicContact CG-CB 4.31Å; Q587-H590 HydrophobicContact CB-CB 4.46Å; Q587-H590 WeakPolarHBondContact O-CB 3.29Å; Q587-H590 PolarHBondContact O-N 2.95Å; Q587-H590 PolarHBondContact OE1-CE1 3.28Å; Q587-H590 VanDerWaalsContact OE1-CE1 3.3Å; Q587-H590 PolarHBondContact OE1-ND1 3.06Å; G588-H590 PolarHBondContact O-N 3.32Å; G588-H590 VanDerWaalsContact O-N 3.15Å; H590-R593 PolarHBondContact CD2-NH1 3.43Å; H590-R593 PolarHBondContact CD2-NH2 3.28Å; H590-R593 PolarHBondContact NE2-NH1 3.09Å; H590-R593 PolarHBondContact NE2-NH2 2.91Å; H590-H594 WeakPolarHBondContact O-CB 3.38Å; H590-H594 PolarHBondContact O-N 2.91Å
591	L	73.9	Confident	71.6	Confident	20 Å²	20	69.1 Å²	69.1	11%	0.105	37%	0.372	C	S	.	.	H	α-helix	trans	-62.1	-51.9	166.6	171	60.4	0	0	0	110.8	F576 E577 C578 F585 Q587 G588 R593 H594 Q595	F576-L591 HydrophobicContact CB-CB 3.82Å; F576-L591 HydrophobicContact CB-CD2 3.8Å; F576-L591 HydrophobicContact CB-CG 4.43Å; E577-L591 WeakPolarHBondContact O-CD2 3.42Å; C578-L591 VanDerWaalsContact CA-CD1 3.48Å; C578-L591 HydrophobicContact CB-CD1 3.51Å; F585-L591 HydrophobicContact CB-CB 4.24Å; F585-L591 HydrophobicContact CD2-CB 4.12Å; F585-L591 HydrophobicContact CD2-CD1 4.11Å; F585-L591 HydrophobicContact CE2-CD1 4.49Å; F585-L591 HydrophobicContact CG-CB 4.39Å; Q587-L591 PolarHBondContact O-N 3.19Å; G588-L591 WeakPolarHBondContact O-CB 3.44Å; G588-L591 PolarHBondContact O-N 3.23Å; G588-L591 VanDerWaalsContact O-N 3.1Å; L591-R593 VanDerWaalsContact C-N 3.3Å; L591-R593 PolarHBondContact O-N 2.66Å; L591-H594 CarbonylContact O-C 3.46Å; L591-H594 WeakPolarHBondContact O-CA 3.11Å; L591-H594 WeakPolarHBondContact O-CB 3.37Å; L591-H594 PolarHBondContact O-N 2.84Å; L591-Q595 HydrophobicContact CD1-CG 3.87Å; L591-Q595 HydrophobicContact CG-CG 4.31Å; L591-Q595 WeakPolarHBondContact O-CG 3.26Å; L591-Q595 PolarHBondContact O-N 3.16Å
592	T	74.3	Confident	71.9	Confident	72 Å²	72	72 Å²	72	44%	0.442	38%	0.378	S	S	.	.	H	α-helix	trans	-57.2	-42.6	179.1	-49.8	0	0	0	0	111.8	G588 H594 Q595	G588-T592 PolarHBondContact O-N 3.45Å; G588-T592 PolarHBondContact O-OG1 3.1Å; T592-H594 VanDerWaalsContact C-N 3.32Å; T592-H594 PolarHBondContact O-N 3.12Å; T592-Q595 PolarHBondContact O-N 3.24Å
593	R	75.6	Confident	72.2	Confident	102 Å²	102	73.4 Å²	73.4	39%	0.385	38%	0.379	S	S	.	.	H	α-helix	trans	-64.3	-35.9	174.6	-174.6	176.6	69.8	-143.3	-3.7	112.3	M589 H590 L591 H615	M589-R593 VanDerWaalsContact O-CB 3.24Å; M589-R593 WeakPolarHBondContact O-CB 3.33Å; M589-R593 PolarHBondContact O-N 2.75Å; M589-R593 VanDerWaalsContact O-N 3.07Å; H590-R593 PolarHBondContact CD2-NH1 3.43Å; H590-R593 PolarHBondContact CD2-NH2 3.28Å; H590-R593 PolarHBondContact NE2-NH1 3.09Å; H590-R593 PolarHBondContact NE2-NH2 2.91Å; L591-R593 VanDerWaalsContact C-N 3.3Å; L591-R593 PolarHBondContact O-N 2.66Å; R593-H615 WeakPolarHBondContact CD-NE2 3.42Å; R593-H615 WeakPolarHBondContact CG-NE2 3.41Å
594	H	74.6	Confident	73	Confident	25 Å²	25	71.2 Å²	71.2	12%	0.116	37%	0.369	C	S	.	.	H	α-helix	trans	-73.9	-36.7	176.3	175.1	44.2	0	0	0	112.9	C581 F585 H590 L591 T592 R596 T597 H598	C581-H594 PolarHBondContact SG-NE2 3.35Å; F585-H594 HydrophobicContact CE1-CB 4.03Å; F585-H594 HydrophobicContact CE2-CB 3.83Å; F585-H594 AromaticContact CE2-CD2 3.22Å; F585-H594 WeakPolarHBondContact CE2-CD2 3.46Å; F585-H594 AromaticContact CE2-CG 3.69Å; F585-H594 HydrophobicContact CZ-CB 3.5Å; F585-H594 AromaticContact CZ-CD2 3.32Å; F585-H594 WeakPolarHBondContact CZ-CD2 3.29Å; F585-H594 AromaticContact CZ-CG 3.37Å; H590-H594 WeakPolarHBondContact O-CB 3.38Å; H590-H594 PolarHBondContact O-N 2.91Å; L591-H594 CarbonylContact O-C 3.46Å; L591-H594 WeakPolarHBondContact O-CA 3.11Å; L591-H594 WeakPolarHBondContact O-CB 3.37Å; L591-H594 PolarHBondContact O-N 2.84Å; T592-H594 VanDerWaalsContact C-N 3.32Å; T592-H594 PolarHBondContact O-N 3.12Å; H594-R596 PolarHBondContact O-N 2.91Å; H594-R596 VanDerWaalsContact O-N 3.1Å; H594-T597 PolarHBondContact CE1-OG1 3.15Å; H594-T597 PolarHBondContact ND1-OG1 3.2Å; H594-T597 WeakPolarHBondContact O-CB 3.45Å; H594-T597 PolarHBondContact O-N 3Å; H594-T597 PolarHBondContact O-OG1 2.97Å; H594-H598 AromaticContact CD2-NE2 3.91Å; H594-H598 AromaticContact CE1-CE1 3.71Å; H594-H598 AromaticContact CE1-NE2 3.39Å; H594-H598 PolarHBondContact CE1-NE2 2.93Å; H594-H598 AromaticContact NE2-CE1 3.77Å; H594-H598 AromaticContact NE2-NE2 3.11Å; H594-H598 PolarHBondContact NE2-NE2 3.26Å; H594-H598 VanDerWaalsContact NE2-NE2 3.11Å
595	Q	73.3	Confident	73.9	Confident	68 Å²	68	75 Å²	75	32%	0.318	38%	0.378	S	S	.	.	H	α-helix	trans	-57	-29.7	178.3	-74.7	167.6	-55.8	0	0	112.2	L591 T592 T597 H598 T599	L591-Q595 HydrophobicContact CD1-CG 3.87Å; L591-Q595 HydrophobicContact CG-CG 4.31Å; L591-Q595 WeakPolarHBondContact O-CG 3.26Å; L591-Q595 PolarHBondContact O-N 3.16Å; T592-Q595 PolarHBondContact O-N 3.24Å; Q595-T597 PolarHBondContact O-N 3.49Å; Q595-H598 WeakPolarHBondContact O-CA 3.45Å; Q595-H598 WeakPolarHBondContact O-CB 3.35Å; Q595-H598 PolarHBondContact O-N 3.4Å; Q595-T599 PolarHBondContact O-N 3.31Å; Q595-T599 PolarHBondContact O-OG1 2.73Å
596	R	81.4	Confident	74.6	Confident	49 Å²	49	72.6 Å²	72.6	19%	0.185	37%	0.367	C	S	.	.	H	α-helix	trans	-61.7	-18.4	171.1	-57.5	-170.6	178.2	156.3	4.5	115.3	H594 H598 T599 G600 E601 S614	H594-R596 PolarHBondContact O-N 2.91Å; H594-R596 VanDerWaalsContact O-N 3.1Å; R596-H598 VanDerWaalsContact C-N 3.26Å; R596-T599 WeakPolarHBondContact CA-OG1 3.31Å; R596-G600 WeakPolarHBondContact O-CA 3.4Å; R596-G600 PolarHBondContact O-N 3.34Å; R596-G600 VanDerWaalsContact O-N 3.15Å; R596-E601 HydrophobicContact CB-CB 4.09Å; R596-E601 HydrophobicContact CG-CB 3.85Å; R596-E601 IonicContact NE-OE2 2.69Å; R596-S614 PolarHBondContact NH1-O 2.91Å; R596-S614 VanDerWaalsContact NH1-O 3.14Å
597	T	74.3	Confident	75.6	Confident	95 Å²	95	72.6 Å²	72.6	58%	0.583	38%	0.381	S	S	*	.	H	α-helix	trans	-78.4	-13.1	171.1	71.2	0	0	0	0	112.7	H594 Q595	H594-T597 PolarHBondContact CE1-OG1 3.15Å; H594-T597 PolarHBondContact ND1-OG1 3.2Å; H594-T597 WeakPolarHBondContact O-CB 3.45Å; H594-T597 PolarHBondContact O-N 3Å; H594-T597 PolarHBondContact O-OG1 2.97Å; Q595-T597 PolarHBondContact O-N 3.49Å
598	H	76.6	Confident	76.3	Confident	72 Å²	72	74.1 Å²	74.1	33%	0.333	39%	0.391	S	S	.	.	H	α-helix	trans	-102.5	-42	174.4	-52.6	-53.7	0	0	0	111.7	C578 T580 C581 H594 Q595 R596 G600	C578-H598 VanDerWaalsContact SG-CD2 3.51Å; C578-H598 PolarHBondContact SG-NE2 3.46Å; C578-H598 VanDerWaalsContact SG-NE2 3.38Å; T580-H598 HydrophobicContact CG2-CB 4.02Å; C581-H598 PolarHBondContact SG-NE2 3.43Å; H594-H598 AromaticContact CD2-NE2 3.91Å; H594-H598 AromaticContact CE1-CE1 3.71Å; H594-H598 AromaticContact CE1-NE2 3.39Å; H594-H598 PolarHBondContact CE1-NE2 2.93Å; H594-H598 AromaticContact NE2-CE1 3.77Å; H594-H598 AromaticContact NE2-NE2 3.11Å; H594-H598 PolarHBondContact NE2-NE2 3.26Å; H594-H598 VanDerWaalsContact NE2-NE2 3.11Å; Q595-H598 WeakPolarHBondContact O-CA 3.45Å; Q595-H598 WeakPolarHBondContact O-CB 3.35Å; Q595-H598 PolarHBondContact O-N 3.4Å; R596-H598 VanDerWaalsContact C-N 3.26Å; H598-G600 VanDerWaalsContact C-N 3.29Å; H598-G600 PolarHBondContact O-N 2.83Å
599	T	75.8	Confident	77.3	Confident	86 Å²	86	76 Å²	76	53%	0.528	40%	0.4	S	S	.	.	H	α-helix	trans	-79.4	-9.4	177.8	61.8	0	0	0	0	113.7	Q595 R596 E601	Q595-T599 PolarHBondContact O-N 3.31Å; Q595-T599 PolarHBondContact O-OG1 2.73Å; R596-T599 WeakPolarHBondContact CA-OG1 3.31Å; T599-E601 WeakPolarHBondContact CB-OE1 3.39Å; T599-E601 PolarHBondContact O-N 3.19Å; T599-E601 VanDerWaalsContact O-N 3.15Å; T599-E601 VanDerWaalsContact OG1-CD 3.28Å; T599-E601 WeakPolarHBondContact OG1-CG 3.43Å; T599-E601 PolarHBondContact OG1-OE1 2.94Å
600	G	75.4	Confident	77.8	Confident	54 Å²	54	71.6 Å²	71.6	56%	0.557	39%	0.385	S	S	*	.			trans	70.2	2.3	-177.6	0	0	0	0	0	114.8	R596 H598 K602	R596-G600 WeakPolarHBondContact O-CA 3.4Å; R596-G600 PolarHBondContact O-N 3.34Å; R596-G600 VanDerWaalsContact O-N 3.15Å; H598-G600 VanDerWaalsContact C-N 3.29Å; H598-G600 PolarHBondContact O-N 2.83Å; G600-K602 PolarHBondContact O-N 3.49Å
601	E	76.8	Confident	78.1	Confident	89 Å²	89	73.4 Å²	73.4	42%	0.416	39%	0.393	S	S	.	.			trans	-52.8	126.5	-176	-83.8	166.6	-118.6	0	0	113.3	R596 T599 P603 S614	R596-E601 HydrophobicContact CB-CB 4.09Å; R596-E601 HydrophobicContact CG-CB 3.85Å; R596-E601 IonicContact NE-OE2 2.69Å; T599-E601 WeakPolarHBondContact CB-OE1 3.39Å; T599-E601 PolarHBondContact O-N 3.19Å; T599-E601 VanDerWaalsContact O-N 3.15Å; T599-E601 VanDerWaalsContact OG1-CD 3.28Å; T599-E601 WeakPolarHBondContact OG1-CG 3.43Å; T599-E601 PolarHBondContact OG1-OE1 2.94Å; E601-P603 HydrophobicContact CB-CG 4.35Å; E601-P603 WeakPolarHBondContact O-CD 3.36Å; E601-S614 WeakPolarHBondContact O-CB 3.46Å
602	K	80.8	Confident	78.4	Confident	114 Å²	114	75.2 Å²	75.2	50%	0.496	40%	0.403	S	S	.	.			trans	-123.5	69.5	176.5	-73.8	167.7	152.5	-145.3	0	111.8	G600 Y604 N612 F613	G600-K602 PolarHBondContact O-N 3.49Å; K602-Y604 PolarHBondContact O-N 3.41Å; K602-N612 HydrophobicContact CB-CB 3.7Å; K602-N612 HydrophobicContact CD-CB 4.15Å; K602-N612 WeakPolarHBondContact CD-O 3.44Å; K602-N612 VanDerWaalsContact CE-O 3.25Å; K602-N612 WeakPolarHBondContact CE-O 3.37Å; K602-N612 PolarHBondContact NZ-O 2.81Å; K602-N612 VanDerWaalsContact NZ-O 3.09Å; K602-F613 CarbonylContact C-O 3.1Å; K602-F613 WeakPolarHBondContact CA-O 3.25Å
603	P	75.1	Confident	78.7	Confident	70 Å²	70	73.2 Å²	73.2	46%	0.455	39%	0.389	S	S	.	.			trans	-73.5	-0.7	-167.6	-18.8	35	0	0	0	115.9	E601	E601-P603 HydrophobicContact CB-CG 4.35Å; E601-P603 WeakPolarHBondContact O-CD 3.36Å
604	Y	81.9	Confident	78.6	Confident	77 Å²	77	70 Å²	70	30%	0.302	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	94.6	-176	-53.5	-73.2	0	0	0	110.2	K602 F613 S614 R616	K602-Y604 PolarHBondContact O-N 3.41Å; Y604-F613 WeakPolarHBondContact CD2-O 3.49Å; Y604-F613 PolarHBondContact N-O 2.87Å; Y604-F613 PolarHBondContact O-N 3.01Å; Y604-S614 WeakPolarHBondContact CE2-O 3.24Å; Y604-R616 HydrophobicContact CD1-CB 3.99Å; Y604-R616 HydrophobicContact CD1-CG 4.43Å; Y604-R616 HydrophobicContact CD2-CB 4.38Å; Y604-R616 HydrophobicContact CE1-CB 3.94Å; Y604-R616 HydrophobicContact CE2-CB 4.31Å; Y604-R616 VanDerWaalsContact CE2-N 3.32Å; Y604-R616 HydrophobicContact CG-CB 4.23Å
605	K	79.8	Confident	78.7	Confident	136 Å²	136	71.4 Å²	71.4	59%	0.591	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	139.9	177	-173.2	171.7	179.6	-177.8	0	111.7	E611 N612 L619	K605-E611 CarbonylContact C-O 3.12Å; K605-N612 WeakPolarHBondContact CA-OD1 3.49Å; K605-N612 VanDerWaalsContact CB-OD1 3.24Å; K605-N612 WeakPolarHBondContact CB-OD1 3.35Å; K605-N612 WeakPolarHBondContact CG-OD1 3.5Å; K605-L619 WeakPolarHBondContact O-CD2 3.41Å
606	C	84.4	Confident	78.9	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	40%	0.404	C	S	.	.			trans	-79.1	126.9	167.7	-172.6	0	0	0	0	110.4	L608 G610 E611 F613 L619	C606-L608 VanDerWaalsContact C-N 3.3Å; C606-L608 PolarHBondContact O-N 3.4Å; C606-G610 VanDerWaalsContact O-CA 3.24Å; C606-G610 WeakPolarHBondContact O-CA 3.21Å; C606-G610 PolarHBondContact O-N 2.89Å; C606-E611 HydrophobicContact CB-CB 4.3Å; C606-E611 WeakPolarHBondContact CB-O 3.26Å; C606-E611 PolarHBondContact N-O 3.48Å; C606-F613 HydrophobicContact CB-CE2 4.35Å; C606-L619 HydrophobicContact CB-CD1 3.67Å
607	T	82.3	Confident	78.6	Confident	122 Å²	122	77.8 Å²	77.8	75%	0.748	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-25.4	176.7	46.5	0	0	0	0	113.5
608	L	79.1	Confident	78.8	Confident	108 Å²	108	74.9 Å²	74.9	57%	0.565	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-26.1	-172.6	-60	175.6	0	0	0	114.1	C606 H626	C606-L608 VanDerWaalsContact C-N 3.3Å; C606-L608 PolarHBondContact O-N 3.4Å; L608-H626 HydrophobicContact CD1-CB 3.51Å
609	C	84.5	Confident	79	Confident	64 Å²	64	72.3 Å²	72.3	43%	0.432	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.8	6.3	-179.1	67.1	0	0	0	0	114.7	E611 H622 H626	C609-E611 PolarHBondContact O-N 3.28Å; C609-E611 VanDerWaalsContact O-N 3.12Å; C609-H622 PolarHBondContact SG-NE2 2.78Å; C609-H626 PolarHBondContact SG-NE2 3.15Å
610	G	79.1	Confident	79.1	Confident	27 Å²	27	71.7 Å²	71.7	28%	0.278	38%	0.384	S	S	.	.			trans	75.7	-9.8	176.9	0	0	0	0	0	116.7	C606 N612	C606-G610 VanDerWaalsContact O-CA 3.24Å; C606-G610 WeakPolarHBondContact O-CA 3.21Å; C606-G610 PolarHBondContact O-N 2.89Å; G610-N612 PolarHBondContact O-ND2 3.23Å
611	E	81.1	Confident	79.2	Confident	91 Å²	91	74.3 Å²	74.3	43%	0.425	38%	0.377	S	S	.	.			trans	-53.5	139.3	178.5	-99.9	-71.1	90.8	0	0	113.3	K605 C606 C609 F613	K605-E611 CarbonylContact C-O 3.12Å; C606-E611 HydrophobicContact CB-CB 4.3Å; C606-E611 WeakPolarHBondContact CB-O 3.26Å; C606-E611 PolarHBondContact N-O 3.48Å; C609-E611 PolarHBondContact O-N 3.28Å; C609-E611 VanDerWaalsContact O-N 3.12Å; E611-F613 HydrophobicContact CB-CE2 3.75Å; E611-F613 HydrophobicContact CB-CZ 3.85Å; E611-F613 HydrophobicContact CG-CZ 4.49Å
612	N	81.2	Confident	79.4	Confident	59 Å²	59	71.4 Å²	71.4	32%	0.316	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131.6	-172.3	-63.4	-78.2	0	0	0	112.6	K602 K605 G610	K602-N612 HydrophobicContact CB-CB 3.7Å; K602-N612 HydrophobicContact CD-CB 4.15Å; K602-N612 WeakPolarHBondContact CD-O 3.44Å; K602-N612 VanDerWaalsContact CE-O 3.25Å; K602-N612 WeakPolarHBondContact CE-O 3.37Å; K602-N612 PolarHBondContact NZ-O 2.81Å; K602-N612 VanDerWaalsContact NZ-O 3.09Å; K605-N612 WeakPolarHBondContact CA-OD1 3.49Å; K605-N612 VanDerWaalsContact CB-OD1 3.24Å; K605-N612 WeakPolarHBondContact CB-OD1 3.35Å; K605-N612 WeakPolarHBondContact CG-OD1 3.5Å; G610-N612 PolarHBondContact O-ND2 3.23Å
613	F	80.4	Confident	79.2	Confident	30 Å²	30	68.8 Å²	68.8	13%	0.132	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	143.3	-174.6	-58.8	-81.6	0	0	0	113.2	K602 Y604 C606 E611 N618 L619 H622	K602-F613 CarbonylContact C-O 3.1Å; K602-F613 WeakPolarHBondContact CA-O 3.25Å; Y604-F613 WeakPolarHBondContact CD2-O 3.49Å; Y604-F613 PolarHBondContact N-O 2.87Å; Y604-F613 PolarHBondContact O-N 3.01Å; C606-F613 HydrophobicContact CB-CE2 4.35Å; E611-F613 HydrophobicContact CB-CE2 3.75Å; E611-F613 HydrophobicContact CB-CZ 3.85Å; E611-F613 HydrophobicContact CG-CZ 4.49Å; F613-N618 HydrophobicContact CB-CB 4.13Å; F613-N618 HydrophobicContact CD1-CB 3.9Å; F613-N618 HydrophobicContact CG-CB 4.26Å; F613-L619 HydrophobicContact CB-CB 4.22Å; F613-L619 HydrophobicContact CD2-CB 3.8Å; F613-L619 HydrophobicContact CD2-CD1 3.86Å; F613-L619 HydrophobicContact CD2-CG 4.41Å; F613-L619 HydrophobicContact CE2-CD1 4.05Å; F613-L619 HydrophobicContact CG-CB 4.19Å; F613-H622 HydrophobicContact CE1-CB 4.04Å; F613-H622 HydrophobicContact CE2-CB 3.96Å; F613-H622 AromaticContact CE2-CD2 3.56Å; F613-H622 AromaticContact CE2-CG 3.67Å; F613-H622 HydrophobicContact CZ-CB 3.54Å; F613-H622 AromaticContact CZ-CD2 3.65Å; F613-H622 AromaticContact CZ-CG 3.28Å; F613-H622 AromaticContact CZ-ND1 3.55Å
614	S	73.8	Confident	79.6	Confident	35 Å²	35	67.8 Å²	67.8	25%	0.245	34%	0.34	C	S	.	.	S	Bend	trans	-73.6	-24.3	176.3	55	0	0	0	0	114.2	R596 E601 Y604	R596-S614 PolarHBondContact NH1-O 2.91Å; R596-S614 VanDerWaalsContact NH1-O 3.14Å; E601-S614 WeakPolarHBondContact O-CB 3.46Å; Y604-S614 WeakPolarHBondContact CE2-O 3.24Å
615	H	75.2	Confident	79.4	Confident	54 Å²	54	70 Å²	70	25%	0.25	36%	0.355	C	S	.	.	S	Bend	trans	-126.9	137.2	-179.8	-55.3	164.2	0	0	0	111.6	R593 S617 N618 L619	R593-H615 WeakPolarHBondContact CD-NE2 3.42Å; R593-H615 WeakPolarHBondContact CG-NE2 3.41Å; H615-S617 PolarHBondContact O-N 2.91Å; H615-N618 HydrophobicContact CB-CB 4.33Å; H615-N618 WeakPolarHBondContact O-CB 3.43Å; H615-N618 PolarHBondContact O-N 2.8Å; H615-L619 PolarHBondContact O-N 3.03Å
616	R	78.1	Confident	79.4	Confident	172 Å²	172	67.3 Å²	67.3	65%	0.649	35%	0.345	S	S	*	.	H	α-helix	trans	-57.5	-33.7	174.8	-172.3	177.9	177.8	-177	-0.6	112.9	Y604 N618 L619 I620	Y604-R616 HydrophobicContact CD1-CB 3.99Å; Y604-R616 HydrophobicContact CD1-CG 4.43Å; Y604-R616 HydrophobicContact CD2-CB 4.38Å; Y604-R616 HydrophobicContact CE1-CB 3.94Å; Y604-R616 HydrophobicContact CE2-CB 4.31Å; Y604-R616 VanDerWaalsContact CE2-N 3.32Å; Y604-R616 HydrophobicContact CG-CB 4.23Å; R616-N618 VanDerWaalsContact C-N 3.34Å; R616-N618 PolarHBondContact O-N 2.74Å; R616-L619 PolarHBondContact O-N 3.31Å; R616-I620 HydrophobicContact CG-CD1 3.99Å; R616-I620 HydrophobicContact CG-CG1 4.49Å; R616-I620 WeakPolarHBondContact O-CG1 3.27Å; R616-I620 PolarHBondContact O-N 3.43Å
617	S	73.9	Confident	79	Confident	79 Å²	79	70.9 Å²	70.9	55%	0.552	37%	0.367	S	S	*	.	H	α-helix	trans	-69.5	-27.6	175.8	51.8	0	0	0	0	113.8	H615 R621	H615-S617 PolarHBondContact O-N 2.91Å; S617-R621 WeakPolarHBondContact O-CB 3.25Å; S617-R621 PolarHBondContact O-N 3.16Å; S617-R621 VanDerWaalsContact O-N 3.15Å
618	N	79.9	Confident	78.7	Confident	34 Å²	34	67.3 Å²	67.3	18%	0.182	36%	0.355	C	S	.	.	H	α-helix	trans	-72.2	-41.7	171.7	-73.1	-23.9	0	0	0	110.5	F613 H615 R616 R621 H622	F613-N618 HydrophobicContact CB-CB 4.13Å; F613-N618 HydrophobicContact CD1-CB 3.9Å; F613-N618 HydrophobicContact CG-CB 4.26Å; H615-N618 HydrophobicContact CB-CB 4.33Å; H615-N618 WeakPolarHBondContact O-CB 3.43Å; H615-N618 PolarHBondContact O-N 2.8Å; R616-N618 VanDerWaalsContact C-N 3.34Å; R616-N618 PolarHBondContact O-N 2.74Å; N618-R621 PolarHBondContact O-N 3.41Å; N618-R621 PolarHBondContact OD1-NH1 2.68Å; N618-R621 PolarHBondContact OD1-NH2 2.88Å; N618-H622 WeakPolarHBondContact O-CB 3.35Å; N618-H622 PolarHBondContact O-N 3.33Å
619	L	80.4	Confident	78.5	Confident	18 Å²	18	66.5 Å²	66.5	9%	0.094	35%	0.348	C	S	.	.	H	α-helix	trans	-59.4	-51.6	173.4	170.5	59.3	0	0	0	111.6	K605 C606 F613 H615 R616 R621 H622 Q623	K605-L619 WeakPolarHBondContact O-CD2 3.41Å; C606-L619 HydrophobicContact CB-CD1 3.67Å; F613-L619 HydrophobicContact CB-CB 4.22Å; F613-L619 HydrophobicContact CD2-CB 3.8Å; F613-L619 HydrophobicContact CD2-CD1 3.86Å; F613-L619 HydrophobicContact CD2-CG 4.41Å; F613-L619 HydrophobicContact CE2-CD1 4.05Å; F613-L619 HydrophobicContact CG-CB 4.19Å; H615-L619 PolarHBondContact O-N 3.03Å; R616-L619 PolarHBondContact O-N 3.31Å; L619-R621 VanDerWaalsContact C-N 3.3Å; L619-R621 PolarHBondContact O-N 3.27Å; L619-H622 CarbonylContact O-C 3.59Å; L619-H622 WeakPolarHBondContact O-CA 3.49Å; L619-H622 WeakPolarHBondContact O-CB 3.31Å; L619-H622 PolarHBondContact O-N 3.03Å; L619-Q623 HydrophobicContact CD1-CG 3.91Å; L619-Q623 HydrophobicContact CG-CG 4.42Å; L619-Q623 WeakPolarHBondContact O-CG 3.24Å; L619-Q623 PolarHBondContact O-N 3.3Å
620	I	78.7	Confident	78.3	Confident	73 Å²	73	69.6 Å²	69.6	37%	0.374	35%	0.354	S	S	.	.	H	α-helix	trans	-60.1	-40.4	179.9	-67	166	0	0	0	111.2	R616 H622 Q623	R616-I620 HydrophobicContact CG-CD1 3.99Å; R616-I620 HydrophobicContact CG-CG1 4.49Å; R616-I620 WeakPolarHBondContact O-CG1 3.27Å; R616-I620 PolarHBondContact O-N 3.43Å; I620-H622 VanDerWaalsContact C-N 3.32Å; I620-H622 PolarHBondContact O-N 2.87Å; I620-Q623 PolarHBondContact O-N 3.15Å
621	R	76.6	Confident	78	Confident	109 Å²	109	71.4 Å²	71.4	41%	0.411	36%	0.361	S	S	.	.	H	α-helix	trans	-64.7	-35.9	174.5	-174.3	-178.6	65.2	-123	-10.9	112.4	S617 N618 L619	S617-R621 WeakPolarHBondContact O-CB 3.25Å; S617-R621 PolarHBondContact O-N 3.16Å; S617-R621 VanDerWaalsContact O-N 3.15Å; N618-R621 PolarHBondContact O-N 3.41Å; N618-R621 PolarHBondContact OD1-NH1 2.68Å; N618-R621 PolarHBondContact OD1-NH2 2.88Å; L619-R621 VanDerWaalsContact C-N 3.3Å; L619-R621 PolarHBondContact O-N 3.27Å
622	H	80.5	Confident	77.9	Confident	28 Å²	28	70.4 Å²	70.4	13%	0.13	35%	0.354	C	S	.	.	H	α-helix	trans	-72.3	-35.1	176	164.5	89.7	0	0	0	112.3	C609 F613 N618 L619 I620 R624 I625 H626	C609-H622 PolarHBondContact SG-NE2 2.78Å; F613-H622 HydrophobicContact CE1-CB 4.04Å; F613-H622 HydrophobicContact CE2-CB 3.96Å; F613-H622 AromaticContact CE2-CD2 3.56Å; F613-H622 AromaticContact CE2-CG 3.67Å; F613-H622 HydrophobicContact CZ-CB 3.54Å; F613-H622 AromaticContact CZ-CD2 3.65Å; F613-H622 AromaticContact CZ-CG 3.28Å; F613-H622 AromaticContact CZ-ND1 3.55Å; N618-H622 WeakPolarHBondContact O-CB 3.35Å; N618-H622 PolarHBondContact O-N 3.33Å; L619-H622 CarbonylContact O-C 3.59Å; L619-H622 WeakPolarHBondContact O-CA 3.49Å; L619-H622 WeakPolarHBondContact O-CB 3.31Å; L619-H622 PolarHBondContact O-N 3.03Å; I620-H622 VanDerWaalsContact C-N 3.32Å; I620-H622 PolarHBondContact O-N 2.87Å; H622-R624 PolarHBondContact O-N 3.24Å; H622-I625 VanDerWaalsContact O-CB 3.24Å; H622-I625 WeakPolarHBondContact O-CB 3.17Å; H622-I625 WeakPolarHBondContact O-CG1 3.36Å; H622-I625 PolarHBondContact O-N 3.36Å; H622-H626 AromaticContact CD2-NE2 3.8Å; H622-H626 AromaticContact CE1-NE2 3.49Å; H622-H626 PolarHBondContact CE1-NE2 3.29Å; H622-H626 AromaticContact NE2-CD2 3.79Å; H622-H626 AromaticContact NE2-NE2 2.99Å; H622-H626 PolarHBondContact NE2-NE2 2.92Å
623	Q	77.6	Confident	77.4	Confident	59 Å²	59	70.7 Å²	70.7	28%	0.276	36%	0.358	S	S	.	.	H	α-helix	trans	-59.1	-31.5	176.7	-74.6	172.9	-66.2	0	0	112.6	L619 I620 I625 H626 T627	L619-Q623 HydrophobicContact CD1-CG 3.91Å; L619-Q623 HydrophobicContact CG-CG 4.42Å; L619-Q623 WeakPolarHBondContact O-CG 3.24Å; L619-Q623 PolarHBondContact O-N 3.3Å; I620-Q623 PolarHBondContact O-N 3.15Å; Q623-I625 PolarHBondContact O-N 3.16Å; Q623-H626 PolarHBondContact O-N 3.49Å; Q623-T627 PolarHBondContact O-N 2.97Å
624	R	82.3	Confident	77.4	Confident	48 Å²	48	69.3 Å²	69.3	18%	0.181	35%	0.352	C	S	.	.	H	α-helix	trans	-64.2	-12.8	172.4	-61.4	-173.1	176.7	154.6	2.3	115.4	H622 T627 G628 E629 S642	H622-R624 PolarHBondContact O-N 3.24Å; R624-T627 WeakPolarHBondContact CA-OG1 3.36Å; R624-G628 CarbonylContact O-C 3.14Å; R624-G628 WeakPolarHBondContact O-CA 3.34Å; R624-G628 PolarHBondContact O-N 3.42Å; R624-G628 VanDerWaalsContact O-N 3.16Å; R624-E629 HydrophobicContact CB-CB 4.13Å; R624-E629 HydrophobicContact CG-CB 3.9Å; R624-E629 IonicContact NE-OE2 2.76Å; R624-E629 PolarHBondContact O-N 3.43Å; R624-S642 PolarHBondContact NH1-O 2.74Å; R624-S642 VanDerWaalsContact NH1-O 3.09Å
625	I	79.6	Confident	77.5	Confident	123 Å²	123	75.3 Å²	75.3	63%	0.631	38%	0.376	S	S	*	.	H	α-helix	trans	-73.3	-38.2	170.8	-56.7	173.3	0	0	0	109.4	H622 Q623	H622-I625 VanDerWaalsContact O-CB 3.24Å; H622-I625 WeakPolarHBondContact O-CB 3.17Å; H622-I625 WeakPolarHBondContact O-CG1 3.36Å; H622-I625 PolarHBondContact O-N 3.36Å; Q623-I625 PolarHBondContact O-N 3.16Å
626	H	78.9	Confident	77.5	Confident	81 Å²	81	78 Å²	78	38%	0.375	39%	0.388	S	S	.	.	H	α-helix	trans	-80.9	-37.2	179	-54.3	-67.1	0	0	0	112.7	L608 C609 H622 Q623	L608-H626 HydrophobicContact CD1-CB 3.51Å; C609-H626 PolarHBondContact SG-NE2 3.15Å; H622-H626 AromaticContact CD2-NE2 3.8Å; H622-H626 AromaticContact CE1-NE2 3.49Å; H622-H626 PolarHBondContact CE1-NE2 3.29Å; H622-H626 AromaticContact NE2-CD2 3.79Å; H622-H626 AromaticContact NE2-NE2 2.99Å; H622-H626 PolarHBondContact NE2-NE2 2.92Å; Q623-H626 PolarHBondContact O-N 3.49Å
627	T	76.1	Confident	77.7	Confident	74 Å²	74	73 Å²	73	45%	0.454	38%	0.379	S	S	.	.	S	Bend	trans	-85.5	-6.6	177.9	63.4	0	0	0	0	113.9	Q623 R624 E629	Q623-T627 PolarHBondContact O-N 2.97Å; R624-T627 WeakPolarHBondContact CA-OG1 3.36Å; T627-E629 WeakPolarHBondContact CB-OE1 3.4Å; T627-E629 PolarHBondContact O-N 3.32Å; T627-E629 VanDerWaalsContact O-N 3.07Å; T627-E629 VanDerWaalsContact OG1-CD 3.25Å; T627-E629 WeakPolarHBondContact OG1-CG 3.42Å; T627-E629 PolarHBondContact OG1-OE1 3.03Å
628	G	76.3	Confident	77.9	Confident	48 Å²	48	71.4 Å²	71.4	50%	0.495	38%	0.375	S	S	.	.			trans	67.8	-0.2	-177	0	0	0	0	0	115.4	R624 K630	R624-G628 CarbonylContact O-C 3.14Å; R624-G628 WeakPolarHBondContact O-CA 3.34Å; R624-G628 PolarHBondContact O-N 3.42Å; R624-G628 VanDerWaalsContact O-N 3.16Å; G628-K630 PolarHBondContact O-N 3.46Å
629	E	75.3	Confident	77.9	Confident	91 Å²	91	73.8 Å²	73.8	43%	0.425	39%	0.388	S	S	.	.			trans	-54.2	127.6	-174	-83.3	167.5	-119.9	0	0	113.6	R624 T627 P631 S642	R624-E629 HydrophobicContact CB-CB 4.13Å; R624-E629 HydrophobicContact CG-CB 3.9Å; R624-E629 IonicContact NE-OE2 2.76Å; R624-E629 PolarHBondContact O-N 3.43Å; T627-E629 WeakPolarHBondContact CB-OE1 3.4Å; T627-E629 PolarHBondContact O-N 3.32Å; T627-E629 VanDerWaalsContact O-N 3.07Å; T627-E629 VanDerWaalsContact OG1-CD 3.25Å; T627-E629 WeakPolarHBondContact OG1-CG 3.42Å; T627-E629 PolarHBondContact OG1-OE1 3.03Å; E629-P631 HydrophobicContact CB-CG 4.29Å; E629-S642 WeakPolarHBondContact O-CB 3.39Å
630	K	79.8	Confident	78	Confident	128 Å²	128	75.1 Å²	75.1	56%	0.557	40%	0.399	S	S	*	.			trans	-124.6	67.3	176.2	-72.9	163.1	164.5	-171.9	0	111.9	G628 Y632 S640 F641	G628-K630 PolarHBondContact O-N 3.46Å; K630-Y632 PolarHBondContact O-N 2.73Å; K630-S640 VanDerWaalsContact CD-O 3.27Å; K630-S640 WeakPolarHBondContact CD-O 3.37Å; K630-S640 WeakPolarHBondContact CG-O 3.37Å; K630-F641 CarbonylContact C-O 3.47Å; K630-F641 WeakPolarHBondContact CA-O 3.45Å
631	P	72.9	Confident	78	Confident	66 Å²	66	73.5 Å²	73.5	43%	0.429	39%	0.389	S	S	.	.			trans	-72.4	1.4	-166.8	-18.6	34.8	0	0	0	115.9	E629	E629-P631 HydrophobicContact CB-CG 4.29Å
632	Y	78.9	Confident	77.8	Confident	70 Å²	70	70.6 Å²	70.6	28%	0.275	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	85.6	-179.1	-51.2	-76.8	0	0	0	109.9	K630 F641 S644	K630-Y632 PolarHBondContact O-N 2.73Å; Y632-F641 WeakPolarHBondContact CD2-O 3.28Å; Y632-F641 PolarHBondContact N-O 3.02Å; Y632-F641 WeakPolarHBondContact O-CD2 3.38Å; Y632-F641 PolarHBondContact O-N 3.4Å; Y632-S644 VanDerWaalsContact CE2-N 3.35Å
633	T	70.4	Confident	77.6	Confident	64 Å²	64	72 Å²	72	39%	0.393	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	143.6	170.9	47.7	0	0	0	0	111.4	D639 R647	T633-D639 CarbonylContact C-O 3.54Å; T633-R647 WeakPolarHBondContact O-CD 3.31Å; T633-R647 PolarHBondContact O-NH1 2.93Å
634	C	81.3	Confident	77.4	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.014	39%	0.392	C	S	.	.			trans	-86.1	131.5	165.6	-175.4	0	0	0	0	109.8	C637 G638 D639 F641 H650 L651	C634-C637 VanDerWaalsContact SG-SG 3.69Å; C634-G638 VanDerWaalsContact O-CA 3.24Å; C634-G638 WeakPolarHBondContact O-CA 3.48Å; C634-G638 PolarHBondContact O-N 2.91Å; C634-D639 HydrophobicContact CB-CB 4.19Å; C634-D639 WeakPolarHBondContact CB-O 3.42Å; C634-D639 PolarHBondContact N-O 3.36Å; C634-F641 HydrophobicContact CB-CE2 4.35Å; C634-H650 VanDerWaalsContact SG-CD2 3.55Å; C634-H650 PolarHBondContact SG-NE2 2.87Å; C634-L651 VanDerWaalsContact SG-CD2 3.56Å
635	H	75.7	Confident	77.1	Confident	160 Å²	160	71.5 Å²	71.5	74%	0.741	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-21.9	-178.1	-59.8	-70.8	0	0	0	113.1
636	E	75.3	Confident	77.1	Confident	111 Å²	111	67.7 Å²	67.7	52%	0.519	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-23.4	-175.8	-63.8	167.1	118.1	0	0	113.5	L651 H654	E636-L651 WeakPolarHBondContact OE2-CD2 3.38Å; E636-H654 WeakPolarHBondContact OE2-CB 3.46Å; E636-H654 IonicContact OE2-CD2 3.51Å; E636-H654 PolarHBondContact OE2-CD2 3.47Å; E636-H654 IonicContact OE2-CG 2.6Å
637	C	82.7	Confident	77.2	Confident	66 Å²	66	66.9 Å²	66.9	45%	0.446	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.4	6.4	-177.5	57.9	0	0	0	0	115.2	C634 D639 H650 H654	C634-C637 VanDerWaalsContact SG-SG 3.69Å; C637-D639 PolarHBondContact O-N 3.31Å; C637-D639 VanDerWaalsContact O-N 3.14Å; C637-H650 VanDerWaalsContact SG-CE1 3.52Å; C637-H650 PolarHBondContact SG-NE2 2.9Å; C637-H654 PolarHBondContact SG-NE2 2.93Å
638	G	76.8	Confident	77.3	Confident	47 Å²	47	67.5 Å²	67.5	49%	0.485	38%	0.376	S	S	.	.			trans	76.3	-11.4	179.5	0	0	0	0	0	115.9	C634 S640	C634-G638 VanDerWaalsContact O-CA 3.24Å; C634-G638 WeakPolarHBondContact O-CA 3.48Å; C634-G638 PolarHBondContact O-N 2.91Å; G638-S640 PolarHBondContact O-N 3.46Å; G638-S640 PolarHBondContact O-OG 3Å; G638-S640 VanDerWaalsContact O-OG 3.12Å
639	D	80.8	Confident	77.4	Confident	84 Å²	84	70.1 Å²	70.1	45%	0.449	37%	0.372	S	S	.	.			trans	-52.5	127.2	-175.8	-111.9	-15.3	0	0	0	112.5	T633 C634 C637 F641 H650	T633-D639 CarbonylContact C-O 3.54Å; C634-D639 HydrophobicContact CB-CB 4.19Å; C634-D639 WeakPolarHBondContact CB-O 3.42Å; C634-D639 PolarHBondContact N-O 3.36Å; C637-D639 PolarHBondContact O-N 3.31Å; C637-D639 VanDerWaalsContact O-N 3.14Å; D639-F641 HydrophobicContact CB-CE2 3.73Å; D639-F641 HydrophobicContact CB-CZ 3.8Å; D639-F641 WeakPolarHBondContact O-CD2 3.49Å; D639-F641 WeakPolarHBondContact O-CE2 3.12Å; D639-H650 IonicContact OD2-CE1 3.94Å; D639-H650 PolarHBondContact OD2-CE1 3.39Å; D639-H650 IonicContact OD2-ND1 3.03Å; D639-H650 IonicContact OD2-NE2 3.57Å
640	S	81.3	Confident	77.6	Confident	46 Å²	46	67 Å²	67	32%	0.322	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.5	-168.2	-64.3	0	0	0	0	112.2	K630 G638	K630-S640 VanDerWaalsContact CD-O 3.27Å; K630-S640 WeakPolarHBondContact CD-O 3.37Å; K630-S640 WeakPolarHBondContact CG-O 3.37Å; G638-S640 PolarHBondContact O-N 3.46Å; G638-S640 PolarHBondContact O-OG 3Å; G638-S640 VanDerWaalsContact O-OG 3.12Å
641	F	79.3	Confident	77.4	Confident	39 Å²	39	63.2 Å²	63.2	17%	0.171	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	142.4	-174.5	-58	-80.5	0	0	0	113.4	K630 Y632 C634 D639 H643 N646 R647 H650	K630-F641 CarbonylContact C-O 3.47Å; K630-F641 WeakPolarHBondContact CA-O 3.45Å; Y632-F641 WeakPolarHBondContact CD2-O 3.28Å; Y632-F641 PolarHBondContact N-O 3.02Å; Y632-F641 WeakPolarHBondContact O-CD2 3.38Å; Y632-F641 PolarHBondContact O-N 3.4Å; C634-F641 HydrophobicContact CB-CE2 4.35Å; D639-F641 HydrophobicContact CB-CE2 3.73Å; D639-F641 HydrophobicContact CB-CZ 3.8Å; D639-F641 WeakPolarHBondContact O-CD2 3.49Å; D639-F641 WeakPolarHBondContact O-CE2 3.12Å; F641-H643 VanDerWaalsContact C-N 3.25Å; F641-H643 PolarHBondContact O-N 3.46Å; F641-N646 HydrophobicContact CB-CB 4.14Å; F641-N646 HydrophobicContact CD1-CB 3.95Å; F641-N646 HydrophobicContact CG-CB 4.23Å; F641-R647 HydrophobicContact CB-CB 4.39Å; F641-R647 HydrophobicContact CD2-CB 3.76Å; F641-R647 HydrophobicContact CD2-CG 4.15Å; F641-R647 HydrophobicContact CE2-CB 4.49Å; F641-R647 HydrophobicContact CG-CB 4.3Å; F641-H650 HydrophobicContact CE1-CB 4.24Å; F641-H650 HydrophobicContact CE2-CB 3.9Å; F641-H650 AromaticContact CE2-CD2 3.61Å; F641-H650 AromaticContact CE2-CG 3.63Å; F641-H650 HydrophobicContact CZ-CB 3.57Å; F641-H650 AromaticContact CZ-CD2 3.81Å; F641-H650 AromaticContact CZ-CE1 3.97Å; F641-H650 AromaticContact CZ-CG 3.37Å; F641-H650 AromaticContact CZ-ND1 3.52Å
642	S	73	Confident	77.8	Confident	47 Å²	47	62.5 Å²	62.5	33%	0.329	33%	0.331	S	S	.	.	S	Bend	trans	-73.5	-11.4	174.9	55.9	0	0	0	0	114.6	R624 E629	R624-S642 PolarHBondContact NH1-O 2.74Å; R624-S642 VanDerWaalsContact NH1-O 3.09Å; E629-S642 WeakPolarHBondContact O-CB 3.39Å
643	H	75.4	Confident	77.8	Confident	58 Å²	58	64 Å²	64	27%	0.269	35%	0.348	S	S	.	.	S	Bend	trans	-144	135.6	-177.2	-171.4	-129.7	0	0	0	112.4	F641 S645 N646 R647	F641-H643 VanDerWaalsContact C-N 3.25Å; F641-H643 PolarHBondContact O-N 3.46Å; H643-S645 VanDerWaalsContact C-N 3.31Å; H643-S645 PolarHBondContact CE1-OG 3.29Å; H643-S645 PolarHBondContact ND1-OG 3.15Å; H643-S645 PolarHBondContact O-N 3.15Å; H643-N646 HydrophobicContact CB-CB 4.48Å; H643-N646 WeakPolarHBondContact O-CB 3.2Å; H643-N646 PolarHBondContact O-N 2.97Å; H643-R647 PolarHBondContact O-N 2.87Å
644	S	74.4	Confident	78.1	Confident	41 Å²	41	64.9 Å²	64.9	29%	0.287	35%	0.347	S	S	.	.	H	α-helix	trans	-60.1	-36.6	-177.9	54.2	0	0	0	0	113.1	Y632 N646 R647 I648	Y632-S644 VanDerWaalsContact CE2-N 3.35Å; S644-N646 PolarHBondContact O-N 2.82Å; S644-R647 PolarHBondContact O-N 3.48Å; S644-I648 WeakPolarHBondContact O-CG1 3.35Å; S644-I648 PolarHBondContact O-N 3.31Å
645	S	74.8	Confident	77.8	Confident	56 Å²	56	68.4 Å²	68.4	39%	0.392	37%	0.369	S	S	.	.	H	α-helix	trans	-70.4	-17.5	176.1	94.2	0	0	0	0	113.5	H643 R649	H643-S645 VanDerWaalsContact C-N 3.31Å; H643-S645 PolarHBondContact CE1-OG 3.29Å; H643-S645 PolarHBondContact ND1-OG 3.15Å; H643-S645 PolarHBondContact O-N 3.15Å; S645-R649 VanDerWaalsContact O-CB 3.28Å; S645-R649 WeakPolarHBondContact O-CB 3.35Å; S645-R649 PolarHBondContact O-N 2.92Å
646	N	80.3	Confident	77.9	Confident	42 Å²	42	63.2 Å²	63.2	23%	0.225	36%	0.358	C	S	.	.	H	α-helix	trans	-77.7	-43.8	170.7	-71.7	-19.5	0	0	0	109.8	F641 H643 S644 R649 H650	F641-N646 HydrophobicContact CB-CB 4.14Å; F641-N646 HydrophobicContact CD1-CB 3.95Å; F641-N646 HydrophobicContact CG-CB 4.23Å; H643-N646 HydrophobicContact CB-CB 4.48Å; H643-N646 WeakPolarHBondContact O-CB 3.2Å; H643-N646 PolarHBondContact O-N 2.97Å; S644-N646 PolarHBondContact O-N 2.82Å; N646-R649 PolarHBondContact O-N 2.94Å; N646-R649 VanDerWaalsContact OD1-CZ 3.29Å; N646-R649 PolarHBondContact OD1-NH1 3.37Å; N646-R649 PolarHBondContact OD1-NH2 3.46Å; N646-H650 WeakPolarHBondContact O-CB 3.4Å; N646-H650 PolarHBondContact O-N 2.64Å
647	R	81.4	Confident	77.9	Confident	65 Å²	65	62.3 Å²	62.3	25%	0.245	35%	0.354	C	S	.	.	H	α-helix	trans	-57.5	-51.5	171	-175.5	-177.9	72.3	178.8	7	111.7	T633 F641 H643 S644 R649 H650 L651	T633-R647 WeakPolarHBondContact O-CD 3.31Å; T633-R647 PolarHBondContact O-NH1 2.93Å; F641-R647 HydrophobicContact CB-CB 4.39Å; F641-R647 HydrophobicContact CD2-CB 3.76Å; F641-R647 HydrophobicContact CD2-CG 4.15Å; F641-R647 HydrophobicContact CE2-CB 4.49Å; F641-R647 HydrophobicContact CG-CB 4.3Å; H643-R647 PolarHBondContact O-N 2.87Å; S644-R647 PolarHBondContact O-N 3.48Å; R647-R649 VanDerWaalsContact C-N 3.26Å; R647-R649 PolarHBondContact O-N 2.91Å; R647-H650 CarbonylContact O-C 3.5Å; R647-H650 WeakPolarHBondContact O-CA 3.35Å; R647-H650 WeakPolarHBondContact O-CB 3.23Å; R647-H650 PolarHBondContact O-N 3.38Å; R647-L651 HydrophobicContact CG-CD1 4.2Å; R647-L651 HydrophobicContact CG-CG 4.28Å; R647-L651 WeakPolarHBondContact O-CG 3.46Å; R647-L651 PolarHBondContact O-N 2.97Å
648	I	76.9	Confident	77.8	Confident	86 Å²	86	65.8 Å²	65.8	44%	0.441	36%	0.358	S	S	.	.	H	α-helix	trans	-60.3	-36.8	-179.9	-65.8	163.3	0	0	0	111.3	S644 H650	S644-I648 WeakPolarHBondContact O-CG1 3.35Å; S644-I648 PolarHBondContact O-N 3.31Å; I648-H650 VanDerWaalsContact C-N 3.31Å; I648-H650 PolarHBondContact O-N 3.4Å
649	R	78.2	Confident	77.7	Confident	104 Å²	104	66.9 Å²	66.9	39%	0.392	36%	0.356	S	S	.	.	H	α-helix	trans	-68.4	-29.6	173.6	-175.3	-177.9	68.5	-123.3	-4.9	113	S645 N646 R647 R671	S645-R649 VanDerWaalsContact O-CB 3.28Å; S645-R649 WeakPolarHBondContact O-CB 3.35Å; S645-R649 PolarHBondContact O-N 2.92Å; N646-R649 PolarHBondContact O-N 2.94Å; N646-R649 VanDerWaalsContact OD1-CZ 3.29Å; N646-R649 PolarHBondContact OD1-NH1 3.37Å; N646-R649 PolarHBondContact OD1-NH2 3.46Å; R647-R649 VanDerWaalsContact C-N 3.26Å; R647-R649 PolarHBondContact O-N 2.91Å; R649-R671 HydrophobicContact CG-CG 4.47Å
650	H	81.3	Confident	77.7	Confident	25 Å²	25	67 Å²	67	12%	0.116	35%	0.351	C	S	.	.	H	α-helix	trans	-80.4	-37.4	177.1	160.9	97.5	0	0	0	112.3	C634 C637 D639 F641 N646 R647 I648 R652 T653 H654	C634-H650 VanDerWaalsContact SG-CD2 3.55Å; C634-H650 PolarHBondContact SG-NE2 2.87Å; C637-H650 VanDerWaalsContact SG-CE1 3.52Å; C637-H650 PolarHBondContact SG-NE2 2.9Å; D639-H650 IonicContact OD2-CE1 3.94Å; D639-H650 PolarHBondContact OD2-CE1 3.39Å; D639-H650 IonicContact OD2-ND1 3.03Å; D639-H650 IonicContact OD2-NE2 3.57Å; F641-H650 HydrophobicContact CE1-CB 4.24Å; F641-H650 HydrophobicContact CE2-CB 3.9Å; F641-H650 AromaticContact CE2-CD2 3.61Å; F641-H650 AromaticContact CE2-CG 3.63Å; F641-H650 HydrophobicContact CZ-CB 3.57Å; F641-H650 AromaticContact CZ-CD2 3.81Å; F641-H650 AromaticContact CZ-CE1 3.97Å; F641-H650 AromaticContact CZ-CG 3.37Å; F641-H650 AromaticContact CZ-ND1 3.52Å; N646-H650 WeakPolarHBondContact O-CB 3.4Å; N646-H650 PolarHBondContact O-N 2.64Å; R647-H650 CarbonylContact O-C 3.5Å; R647-H650 WeakPolarHBondContact O-CA 3.35Å; R647-H650 WeakPolarHBondContact O-CB 3.23Å; R647-H650 PolarHBondContact O-N 3.38Å; I648-H650 VanDerWaalsContact C-N 3.31Å; I648-H650 PolarHBondContact O-N 3.4Å; H650-R652 PolarHBondContact O-N 2.85Å; H650-R652 VanDerWaalsContact O-N 3.11Å; H650-T653 PolarHBondContact O-N 3.36Å; H650-T653 PolarHBondContact O-OG1 3.12Å; H650-H654 AromaticContact CD2-NE2 3.73Å; H650-H654 AromaticContact CE1-NE2 3.36Å; H650-H654 PolarHBondContact CE1-NE2 3.11Å; H650-H654 AromaticContact NE2-CD2 3.78Å; H650-H654 AromaticContact NE2-CE1 3.99Å; H650-H654 AromaticContact NE2-NE2 2.97Å; H650-H654 PolarHBondContact NE2-NE2 2.83Å
651	L	74.8	Confident	77.8	Confident	48 Å²	48	71.5 Å²	71.5	25%	0.251	37%	0.365	S	S	.	.	H	α-helix	trans	-54.6	-34	173.4	-68.9	168.8	0	0	0	111.6	C634 E636 R647 T653 H654 T655	C634-L651 VanDerWaalsContact SG-CD2 3.56Å; E636-L651 WeakPolarHBondContact OE2-CD2 3.38Å; R647-L651 HydrophobicContact CG-CD1 4.2Å; R647-L651 HydrophobicContact CG-CG 4.28Å; R647-L651 WeakPolarHBondContact O-CG 3.46Å; R647-L651 PolarHBondContact O-N 2.97Å; L651-T653 PolarHBondContact O-N 3.21Å; L651-T653 VanDerWaalsContact O-N 3.12Å; L651-H654 PolarHBondContact O-N 3.24Å; L651-T655 PolarHBondContact O-N 3.18Å; L651-T655 PolarHBondContact O-OG1 2.8Å
652	R	80.9	Confident	78.1	Confident	52 Å²	52	69.8 Å²	69.8	20%	0.196	36%	0.358	C	S	.	.	H	α-helix	trans	-65.3	-6.8	172.5	-60.1	-171.5	175.9	148	7	116	H650 G656 E657 S670	H650-R652 PolarHBondContact O-N 2.85Å; H650-R652 VanDerWaalsContact O-N 3.11Å; R652-G656 PolarHBondContact O-N 3.4Å; R652-E657 HydrophobicContact CB-CB 4.01Å; R652-E657 HydrophobicContact CG-CB 3.71Å; R652-E657 IonicContact CZ-OE2 3.81Å; R652-E657 IonicContact NE-OE2 2.96Å; R652-E657 PolarHBondContact NE-OE2 2.89Å; R652-S670 PolarHBondContact NH1-O 2.66Å
653	T	79.6	Confident	78.6	Confident	101 Å²	101	72 Å²	72	62%	0.62	37%	0.373	S	S	*	.	H	α-helix	trans	-88.5	-22.2	168.4	62.8	0	0	0	0	112.4	H650 L651	H650-T653 PolarHBondContact O-N 3.36Å; H650-T653 PolarHBondContact O-OG1 3.12Å; L651-T653 PolarHBondContact O-N 3.21Å; L651-T653 VanDerWaalsContact O-N 3.12Å
654	H	77.2	Confident	78.8	Confident	82 Å²	82	74.5 Å²	74.5	38%	0.38	39%	0.385	S	S	.	.	H	α-helix	trans	-86.7	-48.9	172.5	-54	-50.1	0	0	0	110.6	E636 C637 H650 L651 G656	E636-H654 WeakPolarHBondContact OE2-CB 3.46Å; E636-H654 IonicContact OE2-CD2 3.51Å; E636-H654 PolarHBondContact OE2-CD2 3.47Å; E636-H654 IonicContact OE2-CG 2.6Å; C637-H654 PolarHBondContact SG-NE2 2.93Å; H650-H654 AromaticContact CD2-NE2 3.73Å; H650-H654 AromaticContact CE1-NE2 3.36Å; H650-H654 PolarHBondContact CE1-NE2 3.11Å; H650-H654 AromaticContact NE2-CD2 3.78Å; H650-H654 AromaticContact NE2-CE1 3.99Å; H650-H654 AromaticContact NE2-NE2 2.97Å; H650-H654 PolarHBondContact NE2-NE2 2.83Å; L651-H654 PolarHBondContact O-N 3.24Å; H654-G656 VanDerWaalsContact C-N 3.26Å; H654-G656 PolarHBondContact O-N 3.48Å
655	T	74.6	Confident	79.4	Confident	77 Å²	77	75.4 Å²	75.4	47%	0.472	39%	0.39	S	S	.	.	S	Bend	trans	-76.1	-8	178.8	68.9	0	0	0	0	114.5	L651 E657	L651-T655 PolarHBondContact O-N 3.18Å; L651-T655 PolarHBondContact O-OG1 2.8Å; T655-E657 PolarHBondContact O-N 3.19Å; T655-E657 VanDerWaalsContact O-N 3.08Å
656	G	76.5	Confident	79.7	Confident	50 Å²	50	74.1 Å²	74.1	52%	0.515	39%	0.386	S	S	.	.			trans	66.1	5.2	-177.6	0	0	0	0	0	115.5	R652 H654 R658	R652-G656 PolarHBondContact O-N 3.4Å; H654-G656 VanDerWaalsContact C-N 3.26Å; H654-G656 PolarHBondContact O-N 3.48Å; G656-R658 PolarHBondContact O-N 3.06Å
657	E	75.5	Confident	79.9	Confident	93 Å²	93	76.6 Å²	76.6	44%	0.435	40%	0.396	S	S	.	.			trans	-52.4	128.7	-173.9	-102.4	-176.2	-142.2	0	0	114.3	R652 T655 P659 S670	R652-E657 HydrophobicContact CB-CB 4.01Å; R652-E657 HydrophobicContact CG-CB 3.71Å; R652-E657 IonicContact CZ-OE2 3.81Å; R652-E657 IonicContact NE-OE2 2.96Å; R652-E657 PolarHBondContact NE-OE2 2.89Å; T655-E657 PolarHBondContact O-N 3.19Å; T655-E657 VanDerWaalsContact O-N 3.08Å; E657-P659 HydrophobicContact CB-CG 4.36Å; E657-S670 VanDerWaalsContact O-CB 3.24Å; E657-S670 WeakPolarHBondContact O-CB 3.43Å
658	R	80.2	Confident	80	Confident	139 Å²	139	75.5 Å²	75.5	53%	0.525	40%	0.398	S	S	.	.			trans	-126.4	69.3	175.9	-66.9	170.8	76.7	143.2	-4.3	111.7	G656 Y660 S668 F669	G656-R658 PolarHBondContact O-N 3.06Å; R658-Y660 VanDerWaalsContact C-N 3.25Å; R658-Y660 PolarHBondContact O-N 3.45Å; R658-Y660 VanDerWaalsContact O-N 3.14Å; R658-S668 PolarHBondContact NE-O 3.2Å; R658-S668 PolarHBondContact NH2-O 2.92Å; R658-S668 WeakPolarHBondContact O-CB 3.34Å; R658-F669 CarbonylContact C-O 3.56Å; R658-F669 WeakPolarHBondContact CA-O 3.36Å
659	P	76.3	Confident	80.2	Confident	69 Å²	69	72.6 Å²	72.6	45%	0.448	38%	0.383	S	S	.	.			trans	-72.7	-6.7	-167.5	-19.8	35.2	0	0	0	116.1	E657	E657-P659 HydrophobicContact CB-CG 4.36Å
660	Y	80.3	Confident	80.1	Confident	86 Å²	86	68.9 Å²	68.9	34%	0.337	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	90.4	-176.1	-55.7	-76.5	0	0	0	109.9	R658 S668 F669 S672	R658-Y660 VanDerWaalsContact C-N 3.25Å; R658-Y660 PolarHBondContact O-N 3.45Å; R658-Y660 VanDerWaalsContact O-N 3.14Å; Y660-S668 CarbonylContact O-C 3.51Å; Y660-F669 WeakPolarHBondContact CB-O 3.26Å; Y660-F669 WeakPolarHBondContact CD2-O 3.32Å; Y660-F669 PolarHBondContact N-O 2.94Å; Y660-F669 PolarHBondContact O-N 3.02Å; Y660-S672 VanDerWaalsContact CE2-N 3.3Å
661	K	82.8	Confident	80	Confident	142 Å²	142	72.6 Å²	72.6	62%	0.617	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	137.4	178.4	-168.7	175.1	179.7	-179.3	0	111.9	G666	K661-G666 WeakPolarHBondContact CE-O 3.48Å; K661-G666 WeakPolarHBondContact CG-O 3.23Å
662	C	86.8	Confident	80.2	Confident	3 Å²	3	72.9 Å²	72.9	2%	0.02	39%	0.392	C	S	.	.			trans	-75.8	135.4	171.7	-170.1	0	0	0	0	111.2	C665 G666 E667 L675	C662-C665 VanDerWaalsContact CB-SG 3.59Å; C662-G666 VanDerWaalsContact O-CA 3.27Å; C662-G666 WeakPolarHBondContact O-CA 3.23Å; C662-G666 PolarHBondContact O-N 3.32Å; C662-E667 VanDerWaalsContact CB-O 3.31Å; C662-E667 WeakPolarHBondContact CB-O 3.23Å; C662-E667 PolarHBondContact N-O 3.22Å; C662-L675 HydrophobicContact CB-CD1 3.59Å
663	S	82.3	Confident	80.2	Confident	93 Å²	93	73.5 Å²	73.5	65%	0.65	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-38.5	176.7	32.6	0	0	0	0	113.2
664	E	80.9	Confident	80.4	Confident	110 Å²	110	75.1 Å²	75.1	51%	0.514	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-46.2	-171.4	-68.5	99.5	-121.9	0	0	113.3	H682	E664-H682 IonicContact OE2-CD2 2.67Å; E664-H682 PolarHBondContact OE2-CD2 3.02Å; E664-H682 VanDerWaalsContact OE2-CD2 3.25Å; E664-H682 IonicContact OE2-CG 3.52Å
665	C	86.8	Confident	80.7	Confident	60 Å²	60	72.1 Å²	72.1	41%	0.405	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-6.9	-174.7	68	0	0	0	0	114.3	C662 E667 H678	C662-C665 VanDerWaalsContact CB-SG 3.59Å; C665-E667 VanDerWaalsContact C-N 3.28Å; C665-E667 PolarHBondContact O-N 2.99Å; C665-E667 PolarHBondContact SG-N 3.05Å; C665-H678 PolarHBondContact SG-NE2 3.43Å
666	G	80.6	Confident	81	Confident	29 Å²	29	73.2 Å²	73.2	30%	0.299	39%	0.386	S	S	.	.			trans	75.7	-2.3	-176	0	0	0	0	0	116.6	K661 C662 S668	K661-G666 WeakPolarHBondContact CE-O 3.48Å; K661-G666 WeakPolarHBondContact CG-O 3.23Å; C662-G666 VanDerWaalsContact O-CA 3.27Å; C662-G666 WeakPolarHBondContact O-CA 3.23Å; C662-G666 PolarHBondContact O-N 3.32Å; G666-S668 PolarHBondContact O-N 3.46Å
667	E	84.4	Confident	81.3	Confident	95 Å²	95	74.3 Å²	74.3	44%	0.444	39%	0.386	S	S	.	.			trans	-62.2	130.5	178.1	-74.3	-154.5	131.7	0	0	112.4	C662 C665 F669 H678	C662-E667 VanDerWaalsContact CB-O 3.31Å; C662-E667 WeakPolarHBondContact CB-O 3.23Å; C662-E667 PolarHBondContact N-O 3.22Å; C665-E667 VanDerWaalsContact C-N 3.28Å; C665-E667 PolarHBondContact O-N 2.99Å; C665-E667 PolarHBondContact SG-N 3.05Å; E667-F669 HydrophobicContact CB-CE2 3.75Å; E667-F669 HydrophobicContact CB-CZ 3.89Å; E667-F669 WeakPolarHBondContact O-CE2 3.42Å; E667-F669 WeakPolarHBondContact OE2-CZ 3.42Å; E667-H678 IonicContact OE2-CE1 3.35Å; E667-H678 PolarHBondContact OE2-CE1 3.41Å; E667-H678 IonicContact OE2-ND1 3.25Å; E667-H678 PolarHBondContact OE2-ND1 2.78Å; E667-H678 IonicContact OE2-NE2 3.75Å
668	S	83.6	Confident	81.7	Confident	41 Å²	41	71.3 Å²	71.3	29%	0.287	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	146	177.4	-67.5	0	0	0	0	112.2	R658 Y660 G666	R658-S668 PolarHBondContact NE-O 3.2Å; R658-S668 PolarHBondContact NH2-O 2.92Å; R658-S668 WeakPolarHBondContact O-CB 3.34Å; Y660-S668 CarbonylContact O-C 3.51Å; G666-S668 PolarHBondContact O-N 3.46Å
669	F	81.3	Confident	81.7	Confident	26 Å²	26	66.8 Å²	66.8	11%	0.114	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.9	179.8	-61.3	-86.6	0	0	0	112.8	R658 Y660 E667 R671 R674 L675 H678	R658-F669 CarbonylContact C-O 3.56Å; R658-F669 WeakPolarHBondContact CA-O 3.36Å; Y660-F669 WeakPolarHBondContact CB-O 3.26Å; Y660-F669 WeakPolarHBondContact CD2-O 3.32Å; Y660-F669 PolarHBondContact N-O 2.94Å; Y660-F669 PolarHBondContact O-N 3.02Å; E667-F669 HydrophobicContact CB-CE2 3.75Å; E667-F669 HydrophobicContact CB-CZ 3.89Å; E667-F669 WeakPolarHBondContact O-CE2 3.42Å; E667-F669 WeakPolarHBondContact OE2-CZ 3.42Å; F669-R671 VanDerWaalsContact C-N 3.29Å; F669-R671 PolarHBondContact O-N 2.63Å; F669-R674 HydrophobicContact CB-CB 4.25Å; F669-R674 HydrophobicContact CD1-CB 3.87Å; F669-R674 HydrophobicContact CG-CB 4.26Å; F669-L675 HydrophobicContact CB-CB 4.4Å; F669-L675 HydrophobicContact CD2-CB 3.91Å; F669-L675 HydrophobicContact CD2-CD1 3.94Å; F669-L675 HydrophobicContact CE2-CD1 4.09Å; F669-L675 HydrophobicContact CG-CB 4.36Å; F669-H678 HydrophobicContact CE1-CB 4.41Å; F669-H678 HydrophobicContact CE2-CB 4.1Å; F669-H678 AromaticContact CE2-CD2 3.74Å; F669-H678 AromaticContact CE2-CG 3.79Å; F669-H678 HydrophobicContact CZ-CB 3.76Å; F669-H678 AromaticContact CZ-CD2 3.87Å; F669-H678 AromaticContact CZ-CG 3.48Å; F669-H678 VanDerWaalsContact CZ-CG 3.48Å; F669-H678 AromaticContact CZ-ND1 3.59Å
670	S	75.9	Confident	82.1	Confident	26 Å²	26	71.6 Å²	71.6	18%	0.182	37%	0.366	C	S	.	.	S	Bend	trans	-78.1	-9.6	176	56.3	0	0	0	0	114.4	R652 E657	R652-S670 PolarHBondContact NH1-O 2.66Å; E657-S670 VanDerWaalsContact O-CB 3.24Å; E657-S670 WeakPolarHBondContact O-CB 3.43Å
671	R	79.3	Confident	82.2	Confident	102 Å²	102	72.5 Å²	72.5	39%	0.385	38%	0.381	S	S	.	.			trans	-137.9	128.1	179.7	-68.1	174	59.3	160	-3.5	110.9	R649 F669 S673 R674 L675	R649-R671 HydrophobicContact CG-CG 4.47Å; F669-R671 VanDerWaalsContact C-N 3.29Å; F669-R671 PolarHBondContact O-N 2.63Å; R671-S673 PolarHBondContact NE-OG 3.29Å; R671-S673 PolarHBondContact NH2-OG 2.87Å; R671-S673 PolarHBondContact O-N 3.37Å; R671-R674 HydrophobicContact CB-CB 4.41Å; R671-R674 HydrophobicContact CB-CG 4.22Å; R671-R674 WeakPolarHBondContact O-CB 3.32Å; R671-R674 PolarHBondContact O-N 3.34Å; R671-L675 PolarHBondContact O-N 2.89Å
672	S	79.3	Confident	82.1	Confident	54 Å²	54	69.8 Å²	69.8	38%	0.378	37%	0.37	S	S	.	.	H	α-helix	trans	-52.3	-39.1	170.4	152.5	0	0	0	0	111.9	Y660 R674 L675 M676	Y660-S672 VanDerWaalsContact CE2-N 3.3Å; S672-R674 PolarHBondContact O-N 3.45Å; S672-R674 VanDerWaalsContact O-N 3.16Å; S672-L675 PolarHBondContact O-N 3.02Å; S672-L675 VanDerWaalsContact O-N 3.11Å; S672-M676 WeakPolarHBondContact O-CG 3.19Å; S672-M676 PolarHBondContact O-N 3.25Å
673	S	80.9	Confident	81.4	Confident	65 Å²	65	75.3 Å²	75.3	46%	0.455	40%	0.404	S	S	.	.	H	α-helix	trans	-62.9	-21.9	177.1	71.1	0	0	0	0	114.5	R671	R671-S673 PolarHBondContact NE-OG 3.29Å; R671-S673 PolarHBondContact NH2-OG 2.87Å; R671-S673 PolarHBondContact O-N 3.37Å
674	R	83.2	Confident	80.1	Confident	136 Å²	136	76.7 Å²	76.7	51%	0.513	43%	0.433	S	S	.	.	H	α-helix	trans	-81.3	-44.7	171.9	-73.4	178	170.5	156.4	-8.5	110.2	F669 R671 S672 M676 S677 H678	F669-R674 HydrophobicContact CB-CB 4.25Å; F669-R674 HydrophobicContact CD1-CB 3.87Å; F669-R674 HydrophobicContact CG-CB 4.26Å; R671-R674 HydrophobicContact CB-CB 4.41Å; R671-R674 HydrophobicContact CB-CG 4.22Å; R671-R674 WeakPolarHBondContact O-CB 3.32Å; R671-R674 PolarHBondContact O-N 3.34Å; S672-R674 PolarHBondContact O-N 3.45Å; S672-R674 VanDerWaalsContact O-N 3.16Å; R674-M676 PolarHBondContact O-N 3.12Å; R674-S677 WeakPolarHBondContact O-CB 3.41Å; R674-S677 PolarHBondContact O-N 3.05Å; R674-S677 VanDerWaalsContact O-N 3.07Å; R674-H678 WeakPolarHBondContact O-CB 3.38Å; R674-H678 PolarHBondContact O-N 3.46Å
675	L	83.2	Confident	80	Confident	18 Å²	18	75 Å²	75	9%	0.094	43%	0.428	C	S	.	.	H	α-helix	trans	-55.6	-49.8	173.2	174.6	60.4	0	0	0	111.7	C662 F669 R671 S672 S677 H678 Q679	C662-L675 HydrophobicContact CB-CD1 3.59Å; F669-L675 HydrophobicContact CB-CB 4.4Å; F669-L675 HydrophobicContact CD2-CB 3.91Å; F669-L675 HydrophobicContact CD2-CD1 3.94Å; F669-L675 HydrophobicContact CE2-CD1 4.09Å; F669-L675 HydrophobicContact CG-CB 4.36Å; R671-L675 PolarHBondContact O-N 2.89Å; S672-L675 PolarHBondContact O-N 3.02Å; S672-L675 VanDerWaalsContact O-N 3.11Å; L675-S677 PolarHBondContact O-N 3.32Å; L675-S677 VanDerWaalsContact O-N 3.16Å; L675-H678 CarbonylContact O-C 3.58Å; L675-H678 PolarHBondContact O-N 2.89Å; L675-Q679 HydrophobicContact CD1-CG 3.84Å; L675-Q679 HydrophobicContact CG-CG 4.33Å; L675-Q679 WeakPolarHBondContact O-CG 3.25Å; L675-Q679 PolarHBondContact O-N 2.86Å
676	M	80.3	Confident	79.7	Confident	101 Å²	101	75.8 Å²	75.8	50%	0.498	43%	0.43	S	S	.	.	H	α-helix	trans	-62.4	-23.8	177.9	-61.1	-52.8	-54.5	0	0	113.5	S672 R674 R680	S672-M676 WeakPolarHBondContact O-CG 3.19Å; S672-M676 PolarHBondContact O-N 3.25Å; R674-M676 PolarHBondContact O-N 3.12Å; M676-R680 WeakPolarHBondContact O-CG 3.48Å
677	S	82.9	Confident	79.6	Confident	73 Å²	73	78.4 Å²	78.4	51%	0.51	44%	0.437	S	S	.	.	H	α-helix	trans	-83.1	-28.1	175	-165.4	0	0	0	0	112.2	R674 L675	R674-S677 WeakPolarHBondContact O-CB 3.41Å; R674-S677 PolarHBondContact O-N 3.05Å; R674-S677 VanDerWaalsContact O-N 3.07Å; L675-S677 PolarHBondContact O-N 3.32Å; L675-S677 VanDerWaalsContact O-N 3.16Å
678	H	85	Confident	79.4	Confident	29 Å²	29	77.4 Å²	77.4	13%	0.134	44%	0.436	C	S	.	.	H	α-helix	trans	-83	-33.5	177.1	167.7	94.6	0	0	0	112.1	C665 E667 F669 R674 L675 R680 T681 H682	C665-H678 PolarHBondContact SG-NE2 3.43Å; E667-H678 IonicContact OE2-CE1 3.35Å; E667-H678 PolarHBondContact OE2-CE1 3.41Å; E667-H678 IonicContact OE2-ND1 3.25Å; E667-H678 PolarHBondContact OE2-ND1 2.78Å; E667-H678 IonicContact OE2-NE2 3.75Å; F669-H678 HydrophobicContact CE1-CB 4.41Å; F669-H678 HydrophobicContact CE2-CB 4.1Å; F669-H678 AromaticContact CE2-CD2 3.74Å; F669-H678 AromaticContact CE2-CG 3.79Å; F669-H678 HydrophobicContact CZ-CB 3.76Å; F669-H678 AromaticContact CZ-CD2 3.87Å; F669-H678 AromaticContact CZ-CG 3.48Å; F669-H678 VanDerWaalsContact CZ-CG 3.48Å; F669-H678 AromaticContact CZ-ND1 3.59Å; R674-H678 WeakPolarHBondContact O-CB 3.38Å; R674-H678 PolarHBondContact O-N 3.46Å; L675-H678 CarbonylContact O-C 3.58Å; L675-H678 PolarHBondContact O-N 2.89Å; H678-R680 PolarHBondContact O-N 3.32Å; H678-T681 PolarHBondContact O-N 2.83Å; H678-T681 PolarHBondContact O-OG1 3.23Å; H678-H682 AromaticContact CD2-NE2 3.55Å; H678-H682 AromaticContact CE1-NE2 3.53Å; H678-H682 AromaticContact NE2-CD2 3.83Å; H678-H682 AromaticContact NE2-CE1 3.83Å; H678-H682 AromaticContact NE2-NE2 2.93Å; H678-H682 PolarHBondContact NE2-NE2 3.37Å
679	Q	80.3	Confident	79.1	Confident	44 Å²	44	79.7 Å²	79.7	21%	0.206	45%	0.446	C	S	.	.	H	α-helix	trans	-64.7	-23.6	170.8	-71	178.7	-64.8	0	0	112.3	L675 H682 T683	L675-Q679 HydrophobicContact CD1-CG 3.84Å; L675-Q679 HydrophobicContact CG-CG 4.33Å; L675-Q679 WeakPolarHBondContact O-CG 3.25Å; L675-Q679 PolarHBondContact O-N 2.86Å; Q679-H682 PolarHBondContact O-N 3.33Å; Q679-T683 PolarHBondContact O-N 3.48Å; Q679-T683 PolarHBondContact O-OG1 3.02Å
680	R	83.5	Confident	78.9	Confident	170 Å²	170	83.3 Å²	83.3	64%	0.642	47%	0.468	S	S	*	.	H	α-helix	trans	-67	-38.9	168.4	-68.2	172.3	-170.1	-163.7	-3.6	112.2	M676 H678 H682 T683 G684	M676-R680 WeakPolarHBondContact O-CG 3.48Å; H678-R680 PolarHBondContact O-N 3.32Å; R680-H682 PolarHBondContact O-N 3.42Å; R680-H682 VanDerWaalsContact O-N 3.12Å; R680-T683 WeakPolarHBondContact CA-OG1 3.46Å; R680-T683 PolarHBondContact O-N 2.75Å; R680-T683 PolarHBondContact O-OG1 3.39Å; R680-G684 PolarHBondContact O-N 3.03Å
681	T	83.1	Confident	79.2	Confident	105 Å²	105	87.4 Å²	87.4	64%	0.644	49%	0.488	S	S	*	.	H	α-helix	trans	-68.2	-11.1	177.2	53.8	0	0	0	0	114.1	H678	H678-T681 PolarHBondContact O-N 2.83Å; H678-T681 PolarHBondContact O-OG1 3.23Å
682	H	80.2	Confident	79.2	Confident	86 Å²	86	86.2 Å²	86.2	40%	0.398	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-13.8	167.8	-60.1	-49.1	0	0	0	113.8	E664 H678 Q679 R680	E664-H682 IonicContact OE2-CD2 2.67Å; E664-H682 PolarHBondContact OE2-CD2 3.02Å; E664-H682 VanDerWaalsContact OE2-CD2 3.25Å; E664-H682 IonicContact OE2-CG 3.52Å; H678-H682 AromaticContact CD2-NE2 3.55Å; H678-H682 AromaticContact CE1-NE2 3.53Å; H678-H682 AromaticContact NE2-CD2 3.83Å; H678-H682 AromaticContact NE2-CE1 3.83Å; H678-H682 AromaticContact NE2-NE2 2.93Å; H678-H682 PolarHBondContact NE2-NE2 3.37Å; Q679-H682 PolarHBondContact O-N 3.33Å; R680-H682 PolarHBondContact O-N 3.42Å; R680-H682 VanDerWaalsContact O-N 3.12Å
683	T	72.5	Confident	79.1	Confident	118 Å²	118	88.9 Å²	88.9	72%	0.724	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	-14	-172.9	43.3	0	0	0	0	115.2	Q679 R680	Q679-T683 PolarHBondContact O-N 3.48Å; Q679-T683 PolarHBondContact O-OG1 3.02Å; R680-T683 WeakPolarHBondContact CA-OG1 3.46Å; R680-T683 PolarHBondContact O-N 2.75Å; R680-T683 PolarHBondContact O-OG1 3.39Å
684	G	54.6	Low	79	Confident	122 Å²	122	91.1 Å²	91.1	100%	1.258	51%	0.511	S	S	*	.			trans	114.5	0	-179.2	0	0	0	0	0	112.6	R680	R680-G684 PolarHBondContact O-N 3.03Å

Retrieved 684 of 684 residues in 111.3 ms (Link to these results)

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