A0A077ZFP3_TRITR Loading...

UPF0102 and LppC and SIS 2 and BON domain contain ing protein

AlphaFold DB , UniProt , Accession A0A077ZFP3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 977 aa.

						>A0A077ZFP3_TRITR|A0A077ZFP3
MVPSTFSRLKAARCLPVVLAALIFAGCGTHTPDQSTAYMQGTAQADSAFYLQQMQQSSDDTRINWQLLAIRALVKEGKTGQAVELFNQLPQELNDAQRREKTLLAVEIKLAQKDFAGAQNLLAKITPADLEQNQQARYWQAKIDASQGRPSIDLLRALIAQEPLLGAKEKQQNIDATWQALSSMTQEQANTLVINADENILQGWLDLQRVWFDNRNDPDMMKAGIADWQKRYPNNPGAKMLPTQLVNVKAFKPASTNKIALLLPLNGQAAVFGRTIQQGFEAAKNIGTQPVAAQVAAAPAADVAEQPQPQTVDGVASPAQASVSDLTGEQPAAQPVPVSAPATSTAAVSAPANPSAELKIYDTSSQPLSQILSQVQQDGASIVVGPLLKNNVEELLKSNTPLNVLALNQPENIENRVNICYFALSPEDEARDAARHIRDQGKQAPLVLIPRSSLGDRVANAFAQEWQKLGGGTVLQQKFGSTSELRAGVNGGSGIALTGSPITLRATTDSGMTTNNPTLQTTPTDDQFTNNGGRVDAVYIVATPGEIAFIKPMIAMRNGSQSGATLYASSRSAQGTAGPDFRLEMEGLQYSEIPMLAGGNLPLMQQALSAVNNDYSLARMYAMGVDAWSLANHFSQMRQVQGFEINVPTRSGSPRQLTTKQTGDAWEAQARRWLEGKGLRFIAANVNERGGEIDLIMREGRTTIFVESLLNGNKILCCGNGTSAANAQHFAASMINRFETERPSLPAIALNTDNVVLTAIANDRLHDEVYAKQVRALGHAGDVLLAISTRGNSRDIVKAVEAAVTRDMTIVALTGYDGGELAVGTAAVGTKAATDPRSVGTQVDDGTLEVRVNSALSKDEQIKKEARINVTAYQGKVLLVGQSPNAELSARAKQIAMGVDGANEVYNEIRQGQPIGLGEASNDTWITTKVRSQLLTSDLVKSSNVKVTTENGEVFLMGLVTEREAKAAADIASRHNQ
					

Structure Viewer

Loading PAE data...

(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	40.5	Very low	42.3	Very low	242 Å²	242	140.4 Å²	140.4	100%	1.192	76%	0.759	S	S	*	*				0	109.5	0	-92.6	172.4	162.1	0	0	108.5
2	V	35.4	Very low	42.1	Very low	144 Å²	144	135.3 Å²	135.3	87%	0.873	75%	0.75	S	S	*	*			trans	40.3	140	151.2	-176	0	0	0	0	121.5
3	P	56.9	Low	41.7	Very low	103 Å²	103	142.8 Å²	142.8	67%	0.669	76%	0.76	S	S	*	*			trans	-124.4	-162.6	-149.7	41.6	-22	0	0	0	112.6
4	S	40.5	Very low	41.1	Very low	104 Å²	104	139.5 Å²	139.5	73%	0.727	75%	0.753	S	S	*	*			trans	-177.9	111.8	145.9	19.2	0	0	0	0	110.8
5	T	39.5	Very low	40.8	Very low	102 Å²	102	140.2 Å²	140.2	63%	0.626	76%	0.755	S	S	*	*				62.6	121.4	77.8	60.6	0	0	0	0	112.8
6	F	43.9	Very low	40.6	Very low	180 Å²	180	137.7 Å²	137.7	79%	0.789	75%	0.748	S	S	*	*				177.7	156.5	78.9	-94.2	-88.4	0	0	0	106.4
7	S	39.6	Very low	40.3	Very low	70 Å²	70	137.6 Å²	137.6	49%	0.49	75%	0.753	S	S	.	*			cis	161.6	139.7	-2.8	155.2	0	0	0	0	110.4
8	R	39.9	Very low	39.7	Very low	198 Å²	198	137.1 Å²	137.1	75%	0.747	75%	0.754	S	S	*	*			trans	72.4	146.3	145.4	-69.4	168.4	-153.7	-161.2	0.6	116.7
9	L	45.6	Very low	39.3	Very low	130 Å²	130	137.1 Å²	137.1	68%	0.681	75%	0.752	S	S	*	*			cis	-149.3	132.5	38.8	-96.7	96.7	0	0	0	110.3
10	K	40.4	Very low	39	Very low	175 Å²	175	135.1 Å²	135.1	76%	0.761	76%	0.755	S	S	*	*				73.6	136.5	100.6	-63.1	-167.2	-158.5	170.1	0	112.9
11	A	43.5	Very low	38.5	Very low	96 Å²	96	132.4 Å²	132.4	79%	0.793	75%	0.75	S	S	*	*			cis	-169.3	163.5	23	0	0	0	0	0	105.8
12	A	39.9	Very low	38.1	Very low	79 Å²	79	127.4 Å²	127.4	65%	0.653	73%	0.727	S	S	*	*			cis	-172.4	126.4	4.7	0	0	0	0	0	103.8
13	R	37	Very low	38.4	Very low	233 Å²	233	128.2 Å²	128.2	88%	0.879	73%	0.725	S	S	*	*				69.7	134.8	95.7	-73.6	-177.1	169.6	-178.7	-5.4	112.4
14	C	33.4	Very low	37.5	Very low	97 Å²	97	132.5 Å²	132.5	66%	0.655	73%	0.733	S	S	*	*			cis	-177.3	140.2	20.9	-110	0	0	0	0	105.5
15	L	35.7	Very low	37.3	Very low	150 Å²	150	132.6 Å²	132.6	79%	0.785	74%	0.74	S	S	*	*				135.4	169.1	95.7	-130.2	87.3	0	0	0	108.5
16	P	37.6	Very low	36.9	Very low	100 Å²	100	131.4 Å²	131.4	65%	0.649	75%	0.748	S	S	*	*				-126	176.3	-101.2	40.2	-21.4	0	0	0	114.4
17	V	36.4	Very low	36.1	Very low	136 Å²	136	129.3 Å²	129.3	82%	0.824	76%	0.755	S	S	*	*			trans	18.2	104.4	146.8	-174.9	0	0	0	0	116.5
18	V	28.3	Very low	35.5	Very low	128 Å²	128	129.3 Å²	129.3	78%	0.776	77%	0.766	S	S	*	*			trans	163.4	104.3	138.2	168.3	0	0	0	0	106.8
19	L	32.9	Very low	35	Very low	137 Å²	137	126.7 Å²	126.7	72%	0.717	77%	0.772	S	S	*	*			trans	-167.9	75.3	140.7	-140.2	73.9	0	0	0	110.9
20	A	32.3	Very low	34.8	Very low	98 Å²	98	129.4 Å²	129.4	81%	0.81	78%	0.781	S	S	*	*	S	Bend	trans	-76.1	133.4	138.8	0	0	0	0	0	106.8
21	A	30.2	Very low	34.8	Very low	78 Å²	78	127.2 Å²	127.2	65%	0.645	78%	0.782	S	S	*	*	S	Bend	trans	70.3	122.8	169.9	0	0	0	0	0	119.2
22	L	31.6	Very low	35.3	Very low	137 Å²	137	127.7 Å²	127.7	72%	0.717	78%	0.777	S	S	*	*			trans	74.6	107.4	155	-64	154.7	0	0	0	118
23	I	40.6	Very low	36.5	Very low	161 Å²	161	127.5 Å²	127.5	83%	0.826	77%	0.765	S	S	*	*				-160.4	113.2	115.7	-85.7	146.7	0	0	0	107.9
24	F	38.5	Very low	38.5	Very low	193 Å²	193	121.8 Å²	121.8	85%	0.846	75%	0.748	S	S	*	*			trans	-66.1	156.8	162	-98.1	-104.7	0	0	0	110.6
25	A	37.1	Very low	40.7	Very low	106 Å²	106	117.1 Å²	117.1	88%	0.876	72%	0.717	S	S	*	*			trans	91.1	90.5	165.8	0	0	0	0	0	117.3
26	G	30.4	Very low	42.7	Very low	77 Å²	77	112.9 Å²	112.9	79%	0.794	70%	0.697	S	S	*	*			trans	-166.4	90.3	162.9	0	0	0	0	0	108.9
27	C	26.8	Very low	44.6	Very low	137 Å²	137	109.7 Å²	109.7	93%	0.926	68%	0.679	S	S	*	*			trans	-63.6	135.4	-171.8	-61.9	0	0	0	0	113.9
28	G	27.4	Very low	46.7	Very low	70 Å²	70	104.7 Å²	104.7	72%	0.722	65%	0.646	S	S	*	*			trans	80.7	77.2	134.2	0	0	0	0	0	118.9
29	T	29.9	Very low	49.1	Very low	142 Å²	142	99.7 Å²	99.7	87%	0.871	62%	0.615	S	S	*	*			trans	-140	97.9	140.9	45	0	0	0	0	108.6	T31	T29-T31 PolarHBondContact O-N 3.39Å
30	H	39.9	Very low	51	Low	187 Å²	187	97.2 Å²	97.2	87%	0.866	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-60.8	122.8	167.7	-81.5	-67.1	0	0	0	107.8
31	T	42.5	Very low	52.9	Low	130 Å²	130	93.5 Å²	93.5	80%	0.798	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-53.7	124.5	159.2	36.6	0	0	0	0	106.7	T29 D33	T29-T31 PolarHBondContact O-N 3.39Å; T31-D33 PolarHBondContact O-N 3.46Å
32	P	52.3	Low	54.5	Low	106 Å²	106	94.9 Å²	94.9	69%	0.688	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-56.5	132.9	-174.7	20.1	-29.8	0	0	0	109.1	Q34	P32-Q34 WeakPolarHBondContact O-CG 3.11Å; P32-Q34 PolarHBondContact O-N 3.47Å
33	D	66.6	Low	55.9	Low	75 Å²	75	89.9 Å²	89.9	40%	0.401	55%	0.549	S	S	.	.			trans	-57.1	105.3	179.5	173.1	23.9	0	0	0	109.9	T31 S35	T31-D33 PolarHBondContact O-N 3.46Å; D33-S35 VanDerWaalsContact C-N 3.32Å; D33-S35 VanDerWaalsContact CG-OG 3.22Å; D33-S35 WeakPolarHBondContact OD1-CB 3.35Å; D33-S35 PolarHBondContact OD1-N 3.42Å; D33-S35 PolarHBondContact OD1-OG 2.81Å; D33-S35 PolarHBondContact OD2-OG 3.35Å; D33-S35 VanDerWaalsContact OD2-OG 3.08Å
34	Q	77.2	Confident	57.4	Low	112 Å²	112	90.1 Å²	90.1	52%	0.523	55%	0.547	S	S	.	.			trans	-83.7	-11.6	178.1	-61.9	-169.4	-10.3	0	0	112.1	P32 T36 A37 Y38	P32-Q34 WeakPolarHBondContact O-CG 3.11Å; P32-Q34 PolarHBondContact O-N 3.47Å; Q34-T36 PolarHBondContact O-N 3.4Å; Q34-T36 VanDerWaalsContact O-N 3.13Å; Q34-A37 WeakPolarHBondContact O-CB 3.43Å; Q34-A37 PolarHBondContact O-N 3.09Å; Q34-Y38 HydrophobicContact CB-CD2 4.16Å; Q34-Y38 HydrophobicContact CB-CE2 3.92Å; Q34-Y38 VanDerWaalsContact O-CD2 3.25Å; Q34-Y38 WeakPolarHBondContact O-CD2 3.36Å; Q34-Y38 PolarHBondContact O-N 2.93Å
35	S	80.5	Confident	59.2	Low	0 Å²	0	82.7 Å²	82.7	0%	0	52%	0.521	C	S	.	.	H	α-helix	trans	-58	-34	-173.3	73.6	0	0	0	0	111.9	D33 Y38 M39 N64	D33-S35 VanDerWaalsContact C-N 3.32Å; D33-S35 VanDerWaalsContact CG-OG 3.22Å; D33-S35 WeakPolarHBondContact OD1-CB 3.35Å; D33-S35 PolarHBondContact OD1-N 3.42Å; D33-S35 PolarHBondContact OD1-OG 2.81Å; D33-S35 PolarHBondContact OD2-OG 3.35Å; D33-S35 VanDerWaalsContact OD2-OG 3.08Å; S35-Y38 PolarHBondContact O-N 3.35Å; S35-M39 WeakPolarHBondContact O-CB 3.25Å; S35-M39 VanDerWaalsContact O-CG 3.31Å; S35-M39 WeakPolarHBondContact O-CG 3.19Å; S35-M39 PolarHBondContact O-N 3.49Å; S35-N64 WeakPolarHBondContact OG-CB 3.46Å; S35-N64 PolarHBondContact OG-ND2 3.38Å
36	T	77.2	Confident	61.2	Low	60 Å²	60	81.9 Å²	81.9	37%	0.368	50%	0.502	S	S	.	.	H	α-helix	trans	-63.3	-41	175	-58	0	0	0	0	112.3	Q34 M39 Q40	Q34-T36 PolarHBondContact O-N 3.4Å; Q34-T36 VanDerWaalsContact O-N 3.13Å; T36-M39 PolarHBondContact O-N 2.86Å; T36-Q40 WeakPolarHBondContact O-CB 3.36Å; T36-Q40 VanDerWaalsContact O-CG 3.29Å; T36-Q40 WeakPolarHBondContact O-CG 3.43Å; T36-Q40 PolarHBondContact O-N 3.2Å
37	A	77.4	Confident	63.8	Low	33 Å²	33	78.5 Å²	78.5	27%	0.273	47%	0.466	S	S	.	.	H	α-helix	trans	-65.3	-42.5	177.4	0	0	0	0	0	111.7	Q34 Q40 G41 T42	Q34-A37 WeakPolarHBondContact O-CB 3.43Å; Q34-A37 PolarHBondContact O-N 3.09Å; A37-Q40 PolarHBondContact O-N 3.5Å; A37-G41 PolarHBondContact O-N 3.38Å; A37-G41 VanDerWaalsContact O-N 3.11Å; A37-T42 WeakPolarHBondContact CB-OG1 3.24Å; A37-T42 PolarHBondContact O-N 3.13Å; A37-T42 PolarHBondContact O-OG1 3.27Å
38	Y	80.8	Confident	66.4	Low	32 Å²	32	74.9 Å²	74.9	13%	0.125	45%	0.446	C	S	.	.	H	α-helix	trans	-65.7	-39.3	173.2	-71.9	-86.9	0	0	0	112.1	Q34 S35 Q40 G41 A43 A45 F49 Y50 W65 L68	Q34-Y38 HydrophobicContact CB-CD2 4.16Å; Q34-Y38 HydrophobicContact CB-CE2 3.92Å; Q34-Y38 VanDerWaalsContact O-CD2 3.25Å; Q34-Y38 WeakPolarHBondContact O-CD2 3.36Å; Q34-Y38 PolarHBondContact O-N 2.93Å; S35-Y38 PolarHBondContact O-N 3.35Å; Y38-Q40 PolarHBondContact O-N 2.94Å; Y38-G41 PolarHBondContact O-N 3.02Å; Y38-A43 HydrophobicContact CD1-CB 3.53Å; Y38-A43 WeakPolarHBondContact CD1-O 3.32Å; Y38-A43 HydrophobicContact CD2-CB 4.35Å; Y38-A43 HydrophobicContact CE1-CB 3.36Å; Y38-A43 HydrophobicContact CE2-CB 4.19Å; Y38-A43 HydrophobicContact CG-CB 4.03Å; Y38-A45 HydrophobicContact CE1-CB 4.28Å; Y38-F49 HydrophobicContact CE1-CE1 4.32Å; Y38-Y50 AromaticContact CD1-CE1 3.76Å; Y38-Y50 HydrophobicContact CD1-CE1 3.76Å; Y38-Y50 HydrophobicContact CE1-CE1 4.22Å; Y38-Y50 HydrophobicContact CG-CE1 4.26Å; Y38-W65 AromaticContact CD2-CH2 3.47Å; Y38-W65 HydrophobicContact CD2-CH2 3.47Å; Y38-W65 VanDerWaalsContact CD2-CH2 3.47Å; Y38-W65 AromaticContact CD2-CZ3 3.79Å; Y38-W65 HydrophobicContact CD2-CZ3 3.79Å; Y38-W65 AromaticContact CE2-CH2 3.64Å; Y38-W65 HydrophobicContact CE2-CH2 3.64Å; Y38-W65 HydrophobicContact CE2-CZ3 4.22Å; Y38-W65 HydrophobicContact CG-CH2 4.19Å; Y38-W65 HydrophobicContact CG-CZ3 4.04Å; Y38-L68 VanDerWaalsContact CB-CD1 3.42Å; Y38-L68 HydrophobicContact CG-CD1 4.41Å
39	M	78.5	Confident	69.2	Low	23 Å²	23	74.4 Å²	74.4	11%	0.113	43%	0.425	C	S	.	.	H	α-helix	trans	-60.7	-43.4	175.9	-79.6	-119.3	-72.5	0	0	112	S35 T36 G41 N64 L67 L68 R71 Q97 E100	S35-M39 WeakPolarHBondContact O-CB 3.25Å; S35-M39 VanDerWaalsContact O-CG 3.31Å; S35-M39 WeakPolarHBondContact O-CG 3.19Å; S35-M39 PolarHBondContact O-N 3.49Å; T36-M39 PolarHBondContact O-N 2.86Å; M39-G41 PolarHBondContact O-N 2.72Å; M39-N64 HydrophobicContact CE-CB 4.35Å; M39-N64 VanDerWaalsContact CE-OD1 3.25Å; M39-N64 WeakPolarHBondContact CE-OD1 3.45Å; M39-N64 HydrophobicContact CG-CB 4.21Å; M39-N64 HydrophobicContact SD-CB 4.31Å; M39-L67 HydrophobicContact SD-CD1 4.18Å; M39-L68 HydrophobicContact CG-CD1 4.23Å; M39-L68 HydrophobicContact CG-CD2 4.44Å; M39-L68 HydrophobicContact CG-CG 4.24Å; M39-R71 PolarHBondContact O-NH1 3.33Å; M39-R71 PolarHBondContact O-NH2 3.07Å; M39-Q97 HydrophobicContact CE-CG 4.47Å; M39-E100 HydrophobicContact SD-CG 4.24Å
40	Q	74.2	Confident	72	Confident	85 Å²	85	68.3 Å²	68.3	40%	0.397	39%	0.386	S	S	.	.	H	α-helix	trans	-69.9	-13.1	174.8	-70.4	175.4	-5.9	0	0	113.3	T36 A37 Y38 N133	T36-Q40 WeakPolarHBondContact O-CB 3.36Å; T36-Q40 VanDerWaalsContact O-CG 3.29Å; T36-Q40 WeakPolarHBondContact O-CG 3.43Å; T36-Q40 PolarHBondContact O-N 3.2Å; A37-Q40 PolarHBondContact O-N 3.5Å; Y38-Q40 PolarHBondContact O-N 2.94Å; Q40-N133 WeakPolarHBondContact O-CB 3.26Å
41	G	70.7	Confident	74.3	Confident	20 Å²	20	61.6 Å²	61.6	21%	0.206	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	16.4	176.7	0	0	0	0	0	114.8	A37 Y38 M39	A37-G41 PolarHBondContact O-N 3.38Å; A37-G41 VanDerWaalsContact O-N 3.11Å; Y38-G41 PolarHBondContact O-N 3.02Å; M39-G41 PolarHBondContact O-N 2.72Å
42	T	65.5	Low	76.3	Confident	107 Å²	107	60.2 Å²	60.2	66%	0.656	34%	0.34	S	S	*	.	S	Bend	trans	-77.4	-13.4	174.6	58.3	0	0	0	0	112.8	A37	A37-T42 WeakPolarHBondContact CB-OG1 3.24Å; A37-T42 PolarHBondContact O-N 3.13Å; A37-T42 PolarHBondContact O-OG1 3.27Å
43	A	59.2	Low	77.9	Confident	31 Å²	31	57.3 Å²	57.3	26%	0.256	32%	0.317	S	S	.	.	S	Bend	trans	-137.8	153.8	171.6	0	0	0	0	0	110.7	Y38	Y38-A43 HydrophobicContact CD1-CB 3.53Å; Y38-A43 WeakPolarHBondContact CD1-O 3.32Å; Y38-A43 HydrophobicContact CD2-CB 4.35Å; Y38-A43 HydrophobicContact CE1-CB 3.36Å; Y38-A43 HydrophobicContact CE2-CB 4.19Å; Y38-A43 HydrophobicContact CG-CB 4.03Å
44	Q	72.5	Confident	78.9	Confident	166 Å²	166	54.5 Å²	54.5	78%	0.776	30%	0.302	S	S	*	.			trans	-138.2	140.8	-178.7	-59.2	178.5	21.5	0	0	110.2
45	A	77.9	Confident	79.3	Confident	38 Å²	38	56.3 Å²	56.3	31%	0.314	31%	0.311	S	S	.	.			trans	-147.6	174	174.2	0	0	0	0	0	109.8	Y38 F49 Y50	Y38-A45 HydrophobicContact CE1-CB 4.28Å; A45-F49 HydrophobicContact CB-CB 3.96Å; A45-F49 HydrophobicContact CB-CD1 3.35Å; A45-F49 HydrophobicContact CB-CE1 4.04Å; A45-F49 HydrophobicContact CB-CG 3.82Å; A45-Y50 HydrophobicContact CB-CD1 4.39Å; A45-Y50 HydrophobicContact CB-CE1 3.72Å; A45-Y50 HydrophobicContact CB-CE2 4.49Å; A45-Y50 PolarHBondContact N-OH 3.1Å; A45-Y50 WeakPolarHBondContact O-CE2 3.49Å; A45-Y50 PolarHBondContact O-OH 3.45Å
46	D	78.5	Confident	79.4	Confident	89 Å²	89	62.7 Å²	62.7	48%	0.476	34%	0.34	S	S	.	.			trans	-82.9	171.7	178.4	64.6	32.4	0	0	0	112.9	A48 F49 Y50	D46-A48 VanDerWaalsContact C-N 3.26Å; D46-A48 PolarHBondContact O-N 2.97Å; D46-A48 WeakPolarHBondContact OD1-CB 3.48Å; D46-A48 PolarHBondContact OD1-N 3.25Å; D46-F49 PolarHBondContact O-N 3.23Å; D46-F49 PolarHBondContact OD1-N 2.99Å; D46-Y50 WeakPolarHBondContact O-CD2 3.49Å; D46-Y50 PolarHBondContact O-N 2.88Å
47	S	83.7	Confident	79.7	Confident	5 Å²	5	61 Å²	61	4%	0.035	33%	0.331	C	S	.	.	H	α-helix	trans	-61.3	-32.9	178.1	59	0	0	0	0	113.2	Y50 L51 E76	S47-Y50 PolarHBondContact O-N 3.22Å; S47-L51 WeakPolarHBondContact O-CB 3.5Å; S47-L51 WeakPolarHBondContact O-CD1 3.28Å; S47-L51 WeakPolarHBondContact O-CG 3.4Å; S47-L51 PolarHBondContact O-N 3.39Å; S47-E76 VanDerWaalsContact CB-OE1 3.22Å; S47-E76 WeakPolarHBondContact CB-OE1 3.27Å; S47-E76 PolarHBondContact N-OE1 2.9Å; S47-E76 PolarHBondContact OG-OE1 3.23Å; S47-E76 PolarHBondContact OG-OE2 3.19Å
48	A	81.4	Confident	79.8	Confident	61 Å²	61	63 Å²	63	50%	0.504	34%	0.343	S	S	.	.	H	α-helix	trans	-66.5	-43.8	-177.9	0	0	0	0	0	111.4	D46 L51 Q52	D46-A48 VanDerWaalsContact C-N 3.26Å; D46-A48 PolarHBondContact O-N 2.97Å; D46-A48 WeakPolarHBondContact OD1-CB 3.48Å; D46-A48 PolarHBondContact OD1-N 3.25Å; A48-L51 PolarHBondContact O-N 3.02Å; A48-Q52 WeakPolarHBondContact O-CB 3.4Å; A48-Q52 PolarHBondContact O-N 2.97Å
49	F	87.6	Confident	79.7	Confident	61 Å²	61	67.5 Å²	67.5	27%	0.268	37%	0.369	S	S	.	.	H	α-helix	trans	-59.5	-49.8	173.8	175	-97	0	0	0	111.2	Y38 A45 D46 L51 Q52 Q53 W65	Y38-F49 HydrophobicContact CE1-CE1 4.32Å; A45-F49 HydrophobicContact CB-CB 3.96Å; A45-F49 HydrophobicContact CB-CD1 3.35Å; A45-F49 HydrophobicContact CB-CE1 4.04Å; A45-F49 HydrophobicContact CB-CG 3.82Å; D46-F49 PolarHBondContact O-N 3.23Å; D46-F49 PolarHBondContact OD1-N 2.99Å; F49-L51 PolarHBondContact O-N 2.79Å; F49-Q52 WeakPolarHBondContact O-CB 3.44Å; F49-Q52 PolarHBondContact O-N 3.39Å; F49-Q53 HydrophobicContact CD1-CG 4.27Å; F49-Q53 HydrophobicContact CD2-CG 4.48Å; F49-Q53 HydrophobicContact CE1-CG 3.86Å; F49-Q53 HydrophobicContact CE2-CG 4.09Å; F49-Q53 HydrophobicContact CZ-CG 3.76Å; F49-Q53 WeakPolarHBondContact O-CG 3.41Å; F49-Q53 PolarHBondContact O-N 2.87Å; F49-W65 HydrophobicContact CD1-CZ3 4.46Å; F49-W65 AromaticContact CE1-CH2 3.87Å; F49-W65 HydrophobicContact CE1-CH2 3.87Å; F49-W65 AromaticContact CE1-CZ3 3.81Å; F49-W65 HydrophobicContact CE1-CZ3 3.81Å; F49-W65 HydrophobicContact CZ-CH2 4.38Å
50	Y	88.8	Confident	79.7	Confident	14 Å²	14	70.8 Å²	70.8	6%	0.055	39%	0.387	C	S	.	.	H	α-helix	trans	-64.4	-40	-178.9	-60.4	-39.7	0	0	0	112.9	Y38 A45 D46 S47 Q52 Q53 M54 W65 L68 A72	Y38-Y50 AromaticContact CD1-CE1 3.76Å; Y38-Y50 HydrophobicContact CD1-CE1 3.76Å; Y38-Y50 HydrophobicContact CE1-CE1 4.22Å; Y38-Y50 HydrophobicContact CG-CE1 4.26Å; A45-Y50 HydrophobicContact CB-CD1 4.39Å; A45-Y50 HydrophobicContact CB-CE1 3.72Å; A45-Y50 HydrophobicContact CB-CE2 4.49Å; A45-Y50 PolarHBondContact N-OH 3.1Å; A45-Y50 WeakPolarHBondContact O-CE2 3.49Å; A45-Y50 PolarHBondContact O-OH 3.45Å; D46-Y50 WeakPolarHBondContact O-CD2 3.49Å; D46-Y50 PolarHBondContact O-N 2.88Å; S47-Y50 PolarHBondContact O-N 3.22Å; Y50-Q52 VanDerWaalsContact C-N 3.32Å; Y50-Q52 PolarHBondContact O-N 3.17Å; Y50-Q53 PolarHBondContact O-N 2.86Å; Y50-M54 WeakPolarHBondContact O-CB 3.48Å; Y50-M54 PolarHBondContact O-N 3.27Å; Y50-W65 AromaticContact CD1-CE3 3.58Å; Y50-W65 HydrophobicContact CD1-CE3 3.58Å; Y50-W65 AromaticContact CD1-CZ3 3.49Å; Y50-W65 HydrophobicContact CD1-CZ3 3.49Å; Y50-W65 VanDerWaalsContact CD1-CZ3 3.49Å; Y50-W65 HydrophobicContact CE1-CE3 4.26Å; Y50-W65 AromaticContact CE1-CZ3 3.78Å; Y50-W65 HydrophobicContact CE1-CZ3 3.78Å; Y50-W65 HydrophobicContact CG-CE3 4.43Å; Y50-L68 HydrophobicContact CD1-CB 3.98Å; Y50-L68 HydrophobicContact CD1-CD1 4.48Å; Y50-L68 VanDerWaalsContact CD2-C 3.49Å; Y50-L68 HydrophobicContact CD2-CB 3.91Å; Y50-L68 VanDerWaalsContact CD2-O 3.28Å; Y50-L68 WeakPolarHBondContact CD2-O 3.33Å; Y50-L68 HydrophobicContact CE1-CB 4.17Å; Y50-L68 HydrophobicContact CE1-CD1 4.36Å; Y50-L68 HydrophobicContact CE2-CB 4.1Å; Y50-L68 HydrophobicContact CG-CB 3.83Å; Y50-A72 HydrophobicContact CD2-CB 3.77Å; Y50-A72 HydrophobicContact CE2-CB 3.86Å
51	L	87.1	Confident	80.2	Confident	45 Å²	45	68.8 Å²	68.8	24%	0.236	38%	0.381	C	S	.	.	H	α-helix	trans	-63.2	-39.1	175.4	-73.6	169.6	0	0	0	111.8	S47 A48 F49 M54 Q55 A69 L85	S47-L51 WeakPolarHBondContact O-CB 3.5Å; S47-L51 WeakPolarHBondContact O-CD1 3.28Å; S47-L51 WeakPolarHBondContact O-CG 3.4Å; S47-L51 PolarHBondContact O-N 3.39Å; A48-L51 PolarHBondContact O-N 3.02Å; F49-L51 PolarHBondContact O-N 2.79Å; L51-M54 HydrophobicContact CD2-CE 4.04Å; L51-M54 PolarHBondContact O-N 2.9Å; L51-Q55 WeakPolarHBondContact O-CG 3.38Å; L51-Q55 PolarHBondContact O-N 3.49Å; L51-Q55 VanDerWaalsContact O-N 3.15Å; L51-A69 HydrophobicContact CD2-CB 3.91Å; L51-A69 HydrophobicContact CG-CB 4.03Å; L51-L85 HydrophobicContact CD2-CD2 3.75Å
52	Q	84.4	Confident	81	Confident	101 Å²	101	73.5 Å²	73.5	47%	0.472	39%	0.393	S	S	.	.	H	α-helix	trans	-64.8	-46.5	175.1	-178.7	-179.4	-23.1	0	0	111.4	A48 F49 Y50 M54 Q55 Q56	A48-Q52 WeakPolarHBondContact O-CB 3.4Å; A48-Q52 PolarHBondContact O-N 2.97Å; F49-Q52 WeakPolarHBondContact O-CB 3.44Å; F49-Q52 PolarHBondContact O-N 3.39Å; Y50-Q52 VanDerWaalsContact C-N 3.32Å; Y50-Q52 PolarHBondContact O-N 3.17Å; Q52-M54 VanDerWaalsContact C-N 3.31Å; Q52-M54 PolarHBondContact O-N 3.18Å; Q52-Q55 PolarHBondContact O-N 3.21Å; Q52-Q56 WeakPolarHBondContact O-CG 3.21Å; Q52-Q56 PolarHBondContact O-N 2.94Å
53	Q	86.9	Confident	82.3	Confident	45 Å²	45	69.4 Å²	69.4	21%	0.21	37%	0.366	C	S	.	.	H	α-helix	trans	-63.8	-37.5	177.8	-65.5	-57.6	-30.6	0	0	112	F49 Y50 Q55 Q56 S57 W65	F49-Q53 HydrophobicContact CD1-CG 4.27Å; F49-Q53 HydrophobicContact CD2-CG 4.48Å; F49-Q53 HydrophobicContact CE1-CG 3.86Å; F49-Q53 HydrophobicContact CE2-CG 4.09Å; F49-Q53 HydrophobicContact CZ-CG 3.76Å; F49-Q53 WeakPolarHBondContact O-CG 3.41Å; F49-Q53 PolarHBondContact O-N 2.87Å; Y50-Q53 PolarHBondContact O-N 2.86Å; Q53-Q55 VanDerWaalsContact C-N 3.33Å; Q53-Q55 PolarHBondContact O-N 3.43Å; Q53-Q56 PolarHBondContact O-N 2.55Å; Q53-Q56 VanDerWaalsContact O-N 3.15Å; Q53-S57 WeakPolarHBondContact O-CB 3.46Å; Q53-S57 PolarHBondContact O-N 3.06Å; Q53-S57 PolarHBondContact O-OG 3.17Å; Q53-W65 HydrophobicContact CB-CB 4.46Å; Q53-W65 HydrophobicContact CB-CD2 3.46Å; Q53-W65 VanDerWaalsContact CB-CD2 3.46Å; Q53-W65 HydrophobicContact CB-CE3 3.94Å; Q53-W65 HydrophobicContact CB-CG 3.71Å; Q53-W65 HydrophobicContact CB-CH2 4.41Å; Q53-W65 HydrophobicContact CB-CZ2 4Å; Q53-W65 HydrophobicContact CB-CZ3 4.4Å; Q53-W65 HydrophobicContact CG-CD2 4.22Å; Q53-W65 HydrophobicContact CG-CE3 4.35Å; Q53-W65 HydrophobicContact CG-CH2 4.13Å; Q53-W65 HydrophobicContact CG-CZ2 3.99Å; Q53-W65 HydrophobicContact CG-CZ3 4.33Å
54	M	87.8	Confident	83.8	Confident	17 Å²	17	68.4 Å²	68.4	8%	0.084	36%	0.357	C	S	.	.	H	α-helix	trans	-59.8	-40.8	174.6	-177.7	-164	69.3	0	0	112.1	Y50 L51 Q52 Q56 R62 W65 Q66 L85	Y50-M54 WeakPolarHBondContact O-CB 3.48Å; Y50-M54 PolarHBondContact O-N 3.27Å; L51-M54 HydrophobicContact CD2-CE 4.04Å; L51-M54 PolarHBondContact O-N 2.9Å; Q52-M54 VanDerWaalsContact C-N 3.31Å; Q52-M54 PolarHBondContact O-N 3.18Å; M54-Q56 VanDerWaalsContact C-N 3.27Å; M54-Q56 PolarHBondContact O-N 2.72Å; M54-R62 HydrophobicContact CG-CG 3.85Å; M54-W65 HydrophobicContact CB-CB 3.81Å; M54-Q66 HydrophobicContact CG-CB 4.19Å; M54-Q66 HydrophobicContact SD-CB 3.76Å; M54-Q66 HydrophobicContact SD-CG 3.84Å; M54-L85 HydrophobicContact CE-CD1 4.32Å; M54-L85 HydrophobicContact SD-CD1 4.03Å
55	Q	84.3	Confident	84.7	Confident	150 Å²	150	61 Å²	61	70%	0.701	32%	0.321	S	S	*	.	H	α-helix	trans	-69.4	-24.7	177.7	-71.1	175.7	6	0	0	113.1	L51 Q52 Q53	L51-Q55 WeakPolarHBondContact O-CG 3.38Å; L51-Q55 PolarHBondContact O-N 3.49Å; L51-Q55 VanDerWaalsContact O-N 3.15Å; Q52-Q55 PolarHBondContact O-N 3.21Å; Q53-Q55 VanDerWaalsContact C-N 3.33Å; Q53-Q55 PolarHBondContact O-N 3.43Å
56	Q	83.1	Confident	85.5	Confident	133 Å²	133	59.7 Å²	59.7	62%	0.621	31%	0.309	S	S	*	.	H	α-helix	trans	-95.9	-6.6	-178	-64.3	-179.1	8.9	0	0	113.7	Q52 Q53 M54	Q52-Q56 WeakPolarHBondContact O-CG 3.21Å; Q52-Q56 PolarHBondContact O-N 2.94Å; Q53-Q56 PolarHBondContact O-N 2.55Å; Q53-Q56 VanDerWaalsContact O-N 3.15Å; M54-Q56 VanDerWaalsContact C-N 3.27Å; M54-Q56 PolarHBondContact O-N 2.72Å
57	S	84.5	Confident	86.2	Confident	25 Å²	25	55.4 Å²	55.4	18%	0.175	29%	0.286	C	S	.	.			trans	-107.9	155.3	-175.3	-58.3	0	0	0	0	112.1	Q53 W65	Q53-S57 WeakPolarHBondContact O-CB 3.46Å; Q53-S57 PolarHBondContact O-N 3.06Å; Q53-S57 PolarHBondContact O-OG 3.17Å; S57-W65 VanDerWaalsContact OG-CD1 3.24Å; S57-W65 PolarHBondContact OG-NE1 2.98Å
58	S	79.4	Confident	86.6	Confident	74 Å²	74	55.2 Å²	55.2	52%	0.517	29%	0.285	S	S	.	.			trans	-113.5	165.6	171.4	65.9	0	0	0	0	111.9	T61 R62	S58-T61 PolarHBondContact O-N 3.06Å; S58-R62 PolarHBondContact O-N 2.85Å
59	D	78	Confident	87.1	Confident	128 Å²	128	52.3 Å²	52.3	68%	0.684	26%	0.261	S	S	*	.	H	α-helix	trans	54.7	-137.8	167.7	-46.2	-51.2	0	0	0	113.9	T61 R62 I63	D59-T61 PolarHBondContact O-N 3.16Å; D59-R62 WeakPolarHBondContact O-CB 3.42Å; D59-R62 PolarHBondContact O-N 3.31Å; D59-I63 PolarHBondContact O-N 3.49Å
60	D	78.6	Confident	87.4	Confident	92 Å²	92	49.4 Å²	49.4	49%	0.492	25%	0.248	S	C	.	.	H	α-helix	trans	-60	-32.3	-178.5	-79.7	-39.6	0	0	0	113.6	R62 I63 N64 Q97	D60-R62 VanDerWaalsContact C-N 3.32Å; D60-R62 PolarHBondContact O-N 2.77Å; D60-I63 PolarHBondContact O-N 3.11Å; D60-N64 PolarHBondContact O-N 2.88Å; D60-N64 PolarHBondContact O-OD1 2.86Å; D60-Q97 PolarHBondContact OD1-NE2 2.91Å
61	T	84.4	Confident	87.6	Confident	42 Å²	42	49.8 Å²	49.8	26%	0.258	25%	0.249	S	C	.	.	H	α-helix	trans	-65.3	-40.1	179.4	-56.6	0	0	0	0	110.4	S58 D59 I63 N64 W65	S58-T61 PolarHBondContact O-N 3.06Å; D59-T61 PolarHBondContact O-N 3.16Å; T61-I63 VanDerWaalsContact C-N 3.33Å; T61-I63 PolarHBondContact O-N 3.17Å; T61-N64 PolarHBondContact O-N 3.32Å; T61-W65 PolarHBondContact O-N 2.82Å; T61-W65 VanDerWaalsContact O-N 3.09Å
62	R	88.5	Confident	87.6	Confident	120 Å²	120	48.1 Å²	48.1	45%	0.453	24%	0.242	S	C	.	.	H	α-helix	trans	-60.7	-42.9	174.6	178.7	178.3	170.6	140.7	-2	111.7	M54 S58 D59 D60 W65 Q66	M54-R62 HydrophobicContact CG-CG 3.85Å; S58-R62 PolarHBondContact O-N 2.85Å; D59-R62 WeakPolarHBondContact O-CB 3.42Å; D59-R62 PolarHBondContact O-N 3.31Å; D60-R62 VanDerWaalsContact C-N 3.32Å; D60-R62 PolarHBondContact O-N 2.77Å; R62-W65 PolarHBondContact O-N 3.31Å; R62-Q66 WeakPolarHBondContact O-CB 3.44Å; R62-Q66 PolarHBondContact O-N 3.01Å
63	I	91.4	Very high	87.8	Confident	20 Å²	20	43.4 Å²	43.4	10%	0.103	22%	0.22	C	C	.	.	H	α-helix	trans	-63.5	-43.4	179.5	-61.1	171	0	0	0	110.3	D59 D60 T61 W65 Q66 L67 L89 P90 L93 Q97	D59-I63 PolarHBondContact O-N 3.49Å; D60-I63 PolarHBondContact O-N 3.11Å; T61-I63 VanDerWaalsContact C-N 3.33Å; T61-I63 PolarHBondContact O-N 3.17Å; I63-W65 PolarHBondContact O-N 3.34Å; I63-Q66 WeakPolarHBondContact O-CB 3.12Å; I63-Q66 PolarHBondContact O-N 2.92Å; I63-L67 HydrophobicContact CG2-CD1 4.19Å; I63-L67 WeakPolarHBondContact O-CG 3.04Å; I63-L67 PolarHBondContact O-N 2.83Å; I63-L89 HydrophobicContact CG2-CD2 4.38Å; I63-P90 HydrophobicContact CD1-CG 3.57Å; I63-P90 HydrophobicContact CG1-CG 3.94Å; I63-L93 HydrophobicContact CD1-CD2 4.31Å; I63-L93 HydrophobicContact CG2-CD2 3.63Å; I63-Q97 HydrophobicContact CG2-CG 4.09Å
64	N	91.2	Very high	88	Confident	10 Å²	10	42.2 Å²	42.2	5%	0.053	22%	0.216	C	C	.	.	H	α-helix	trans	-60.5	-44.8	177	-68.5	-7.7	0	0	0	111.7	S35 M39 D60 T61 Q66 L67 L68 Q97	S35-N64 WeakPolarHBondContact OG-CB 3.46Å; S35-N64 PolarHBondContact OG-ND2 3.38Å; M39-N64 HydrophobicContact CE-CB 4.35Å; M39-N64 VanDerWaalsContact CE-OD1 3.25Å; M39-N64 WeakPolarHBondContact CE-OD1 3.45Å; M39-N64 HydrophobicContact CG-CB 4.21Å; M39-N64 HydrophobicContact SD-CB 4.31Å; D60-N64 PolarHBondContact O-N 2.88Å; D60-N64 PolarHBondContact O-OD1 2.86Å; T61-N64 PolarHBondContact O-N 3.32Å; N64-Q66 VanDerWaalsContact C-N 3.33Å; N64-Q66 PolarHBondContact O-N 2.87Å; N64-L67 PolarHBondContact O-N 3.2Å; N64-L68 WeakPolarHBondContact O-CG 3.43Å; N64-L68 PolarHBondContact O-N 3.29Å; N64-Q97 WeakPolarHBondContact OD1-CG 3.49Å; N64-Q97 PolarHBondContact OD1-NE2 2.8Å
65	W	91.9	Very high	87.9	Confident	10 Å²	10	48.8 Å²	48.8	4%	0.038	24%	0.244	C	C	.	.	H	α-helix	trans	-64.2	-36.7	174.8	-70.3	123.7	0	0	0	113.1	Y38 F49 Y50 Q53 M54 S57 T61 R62 I63 L68 A69	Y38-W65 AromaticContact CD2-CH2 3.47Å; Y38-W65 HydrophobicContact CD2-CH2 3.47Å; Y38-W65 VanDerWaalsContact CD2-CH2 3.47Å; Y38-W65 AromaticContact CD2-CZ3 3.79Å; Y38-W65 HydrophobicContact CD2-CZ3 3.79Å; Y38-W65 AromaticContact CE2-CH2 3.64Å; Y38-W65 HydrophobicContact CE2-CH2 3.64Å; Y38-W65 HydrophobicContact CE2-CZ3 4.22Å; Y38-W65 HydrophobicContact CG-CH2 4.19Å; Y38-W65 HydrophobicContact CG-CZ3 4.04Å; F49-W65 HydrophobicContact CD1-CZ3 4.46Å; F49-W65 AromaticContact CE1-CH2 3.87Å; F49-W65 HydrophobicContact CE1-CH2 3.87Å; F49-W65 AromaticContact CE1-CZ3 3.81Å; F49-W65 HydrophobicContact CE1-CZ3 3.81Å; F49-W65 HydrophobicContact CZ-CH2 4.38Å; Y50-W65 AromaticContact CD1-CE3 3.58Å; Y50-W65 HydrophobicContact CD1-CE3 3.58Å; Y50-W65 AromaticContact CD1-CZ3 3.49Å; Y50-W65 HydrophobicContact CD1-CZ3 3.49Å; Y50-W65 VanDerWaalsContact CD1-CZ3 3.49Å; Y50-W65 HydrophobicContact CE1-CE3 4.26Å; Y50-W65 AromaticContact CE1-CZ3 3.78Å; Y50-W65 HydrophobicContact CE1-CZ3 3.78Å; Y50-W65 HydrophobicContact CG-CE3 4.43Å; Q53-W65 HydrophobicContact CB-CB 4.46Å; Q53-W65 HydrophobicContact CB-CD2 3.46Å; Q53-W65 VanDerWaalsContact CB-CD2 3.46Å; Q53-W65 HydrophobicContact CB-CE3 3.94Å; Q53-W65 HydrophobicContact CB-CG 3.71Å; Q53-W65 HydrophobicContact CB-CH2 4.41Å; Q53-W65 HydrophobicContact CB-CZ2 4Å; Q53-W65 HydrophobicContact CB-CZ3 4.4Å; Q53-W65 HydrophobicContact CG-CD2 4.22Å; Q53-W65 HydrophobicContact CG-CE3 4.35Å; Q53-W65 HydrophobicContact CG-CH2 4.13Å; Q53-W65 HydrophobicContact CG-CZ2 3.99Å; Q53-W65 HydrophobicContact CG-CZ3 4.33Å; M54-W65 HydrophobicContact CB-CB 3.81Å; S57-W65 VanDerWaalsContact OG-CD1 3.24Å; S57-W65 PolarHBondContact OG-NE1 2.98Å; T61-W65 PolarHBondContact O-N 2.82Å; T61-W65 VanDerWaalsContact O-N 3.09Å; R62-W65 PolarHBondContact O-N 3.31Å; I63-W65 PolarHBondContact O-N 3.34Å; W65-L68 HydrophobicContact CE3-CD1 3.65Å; W65-L68 HydrophobicContact CZ3-CD1 3.87Å; W65-L68 PolarHBondContact O-N 2.86Å; W65-A69 WeakPolarHBondContact O-CB 3.34Å; W65-A69 PolarHBondContact O-N 3.4Å
66	Q	93.9	Very high	87.8	Confident	11 Å²	11	45.3 Å²	45.3	5%	0.051	23%	0.227	C	C	.	.	H	α-helix	trans	-62.9	-45.4	174.7	-171.3	174.3	-4.6	0	0	111.4	M54 R62 I63 N64 L68 A69 I70 L85 L89	M54-Q66 HydrophobicContact CG-CB 4.19Å; M54-Q66 HydrophobicContact SD-CB 3.76Å; M54-Q66 HydrophobicContact SD-CG 3.84Å; R62-Q66 WeakPolarHBondContact O-CB 3.44Å; R62-Q66 PolarHBondContact O-N 3.01Å; I63-Q66 WeakPolarHBondContact O-CB 3.12Å; I63-Q66 PolarHBondContact O-N 2.92Å; N64-Q66 VanDerWaalsContact C-N 3.33Å; N64-Q66 PolarHBondContact O-N 2.87Å; Q66-L68 VanDerWaalsContact C-N 3.34Å; Q66-L68 PolarHBondContact O-N 3.49Å; Q66-A69 PolarHBondContact O-N 2.73Å; Q66-I70 HydrophobicContact CG-CD1 4.28Å; Q66-I70 WeakPolarHBondContact O-CD1 3Å; Q66-I70 VanDerWaalsContact O-CG1 3.24Å; Q66-I70 WeakPolarHBondContact O-CG1 3.38Å; Q66-I70 PolarHBondContact O-N 2.53Å; Q66-L85 HydrophobicContact CG-CD1 3.91Å; Q66-L85 HydrophobicContact CG-CD2 4.18Å; Q66-L85 HydrophobicContact CG-CG 3.74Å; Q66-L85 PolarHBondContact NE2-O 3.38Å; Q66-L89 HydrophobicContact CB-CD2 4.32Å; Q66-L89 HydrophobicContact CG-CD2 3.91Å
67	L	93.7	Very high	87.8	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.6	-42.6	175.5	-68.6	168	0	0	0	111.7	M39 I63 N64 I70 R71 L89 Q97 E100 K101 L104	M39-L67 HydrophobicContact SD-CD1 4.18Å; I63-L67 HydrophobicContact CG2-CD1 4.19Å; I63-L67 WeakPolarHBondContact O-CG 3.04Å; I63-L67 PolarHBondContact O-N 2.83Å; N64-L67 PolarHBondContact O-N 3.2Å; L67-I70 PolarHBondContact O-N 3.09Å; L67-R71 WeakPolarHBondContact O-CB 3.43Å; L67-R71 PolarHBondContact O-N 2.98Å; L67-L89 HydrophobicContact CD2-CD1 3.77Å; L67-L89 HydrophobicContact CD2-CD2 3.95Å; L67-L89 HydrophobicContact CG-CD2 4.22Å; L67-Q97 HydrophobicContact CD1-CB 3.97Å; L67-Q97 HydrophobicContact CD1-CG 4Å; L67-E100 HydrophobicContact CB-CG 4.17Å; L67-E100 HydrophobicContact CD1-CB 4.26Å; L67-E100 HydrophobicContact CD1-CG 4.17Å; L67-E100 HydrophobicContact CD2-CG 4.44Å; L67-K101 HydrophobicContact CD2-CB 4.16Å; L67-L104 HydrophobicContact CB-CD1 4.07Å; L67-L104 HydrophobicContact CD2-CD1 3.64Å; L67-L104 HydrophobicContact CG-CD1 4.48Å; L67-L104 WeakPolarHBondContact O-CD1 3.17Å
68	L	91.8	Very high	87.8	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-64.7	-40.8	175.5	-72	164.7	0	0	0	112.6	Y38 M39 Y50 N64 W65 Q66 R71 A72	Y38-L68 VanDerWaalsContact CB-CD1 3.42Å; Y38-L68 HydrophobicContact CG-CD1 4.41Å; M39-L68 HydrophobicContact CG-CD1 4.23Å; M39-L68 HydrophobicContact CG-CD2 4.44Å; M39-L68 HydrophobicContact CG-CG 4.24Å; Y50-L68 HydrophobicContact CD1-CB 3.98Å; Y50-L68 HydrophobicContact CD1-CD1 4.48Å; Y50-L68 VanDerWaalsContact CD2-C 3.49Å; Y50-L68 HydrophobicContact CD2-CB 3.91Å; Y50-L68 VanDerWaalsContact CD2-O 3.28Å; Y50-L68 WeakPolarHBondContact CD2-O 3.33Å; Y50-L68 HydrophobicContact CE1-CB 4.17Å; Y50-L68 HydrophobicContact CE1-CD1 4.36Å; Y50-L68 HydrophobicContact CE2-CB 4.1Å; Y50-L68 HydrophobicContact CG-CB 3.83Å; N64-L68 WeakPolarHBondContact O-CG 3.43Å; N64-L68 PolarHBondContact O-N 3.29Å; W65-L68 HydrophobicContact CE3-CD1 3.65Å; W65-L68 HydrophobicContact CZ3-CD1 3.87Å; W65-L68 PolarHBondContact O-N 2.86Å; Q66-L68 VanDerWaalsContact C-N 3.34Å; Q66-L68 PolarHBondContact O-N 3.49Å; L68-R71 WeakPolarHBondContact O-CB 3.39Å; L68-R71 PolarHBondContact O-N 2.89Å; L68-A72 PolarHBondContact O-N 3.23Å
69	A	92.4	Very high	88.2	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.9	-45.6	175.1	0	0	0	0	0	111.4	L51 W65 Q66 R71 A72 L73 L85	L51-A69 HydrophobicContact CD2-CB 3.91Å; L51-A69 HydrophobicContact CG-CB 4.03Å; W65-A69 WeakPolarHBondContact O-CB 3.34Å; W65-A69 PolarHBondContact O-N 3.4Å; Q66-A69 PolarHBondContact O-N 2.73Å; A69-R71 VanDerWaalsContact C-N 3.33Å; A69-R71 PolarHBondContact O-N 3.48Å; A69-A72 PolarHBondContact O-N 2.88Å; A69-L73 WeakPolarHBondContact O-CB 3.45Å; A69-L73 VanDerWaalsContact O-CG 3.23Å; A69-L73 WeakPolarHBondContact O-CG 3.32Å; A69-L73 PolarHBondContact O-N 2.7Å; A69-L85 HydrophobicContact CB-CD2 3.69Å
70	I	94.3	Very high	88.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.1	-48.1	174.7	-64	160	0	0	0	110	Q66 L67 A72 L73 V74 A82 L85 F86 L89 L104 I108	Q66-I70 HydrophobicContact CG-CD1 4.28Å; Q66-I70 WeakPolarHBondContact O-CD1 3Å; Q66-I70 VanDerWaalsContact O-CG1 3.24Å; Q66-I70 WeakPolarHBondContact O-CG1 3.38Å; Q66-I70 PolarHBondContact O-N 2.53Å; L67-I70 PolarHBondContact O-N 3.09Å; I70-A72 VanDerWaalsContact C-N 3.32Å; I70-A72 PolarHBondContact O-N 3.28Å; I70-L73 PolarHBondContact O-N 2.92Å; I70-V74 WeakPolarHBondContact O-CG2 3.39Å; I70-V74 PolarHBondContact O-N 2.92Å; I70-A82 HydrophobicContact CG2-CB 4.25Å; I70-L85 HydrophobicContact CD1-CG 4.34Å; I70-L85 HydrophobicContact CG1-CB 3.93Å; I70-L85 HydrophobicContact CG1-CD2 3.83Å; I70-L85 HydrophobicContact CG1-CG 3.87Å; I70-F86 HydrophobicContact CD1-CB 4.03Å; I70-F86 HydrophobicContact CD1-CD2 4.24Å; I70-F86 HydrophobicContact CG2-CB 4.41Å; I70-F86 HydrophobicContact CG2-CD2 4.31Å; I70-L89 HydrophobicContact CD1-CD1 3.82Å; I70-L89 HydrophobicContact CD1-CD2 4.38Å; I70-L89 HydrophobicContact CD1-CG 4.14Å; I70-L104 HydrophobicContact CB-CD1 4.24Å; I70-L104 HydrophobicContact CG2-CB 4.42Å; I70-L104 HydrophobicContact CG2-CD1 4.19Å; I70-L104 HydrophobicContact CG2-CD2 4.3Å; I70-I108 HydrophobicContact CG2-CD1 4.05Å
71	R	92.5	Very high	89.1	Confident	22 Å²	22	39.7 Å²	39.7	8%	0.083	22%	0.215	C	C	.	.	H	α-helix	trans	-54.8	-47.2	178	-162.9	-169.8	-72.5	177.9	-7.3	111.8	M39 L67 L68 A69 K75 E100 L104 R137	M39-R71 PolarHBondContact O-NH1 3.33Å; M39-R71 PolarHBondContact O-NH2 3.07Å; L67-R71 WeakPolarHBondContact O-CB 3.43Å; L67-R71 PolarHBondContact O-N 2.98Å; L68-R71 WeakPolarHBondContact O-CB 3.39Å; L68-R71 PolarHBondContact O-N 2.89Å; A69-R71 VanDerWaalsContact C-N 3.33Å; A69-R71 PolarHBondContact O-N 3.48Å; R71-K75 PolarHBondContact O-N 3.21Å; R71-E100 IonicContact CZ-OE1 2.84Å; R71-E100 VanDerWaalsContact CZ-OE1 3.24Å; R71-E100 IonicContact NE-OE1 2.89Å; R71-E100 PolarHBondContact NE-OE1 3.15Å; R71-E100 IonicContact NH2-OE1 3.99Å; R71-E100 PolarHBondContact NH2-OE1 2.89Å; R71-E100 IonicContact NH2-OE2 2.88Å; R71-E100 PolarHBondContact NH2-OE2 2.68Å; R71-L104 HydrophobicContact CB-CD2 3.63Å; R71-L104 HydrophobicContact CG-CD2 3.9Å; R71-R137 VanDerWaalsContact CZ-NH1 3.26Å
72	A	87.2	Confident	89.4	Confident	10 Å²	10	37.7 Å²	37.7	8%	0.083	20%	0.203	C	C	.	.	H	α-helix	trans	-67.5	-43.8	178.7	0	0	0	0	0	112.2	Y50 L68 A69 I70 V74 K75 E76	Y50-A72 HydrophobicContact CD2-CB 3.77Å; Y50-A72 HydrophobicContact CE2-CB 3.86Å; L68-A72 PolarHBondContact O-N 3.23Å; A69-A72 PolarHBondContact O-N 2.88Å; I70-A72 VanDerWaalsContact C-N 3.32Å; I70-A72 PolarHBondContact O-N 3.28Å; A72-V74 VanDerWaalsContact C-N 3.31Å; A72-V74 PolarHBondContact O-N 2.94Å; A72-K75 PolarHBondContact O-N 3.47Å; A72-K75 VanDerWaalsContact O-N 3.13Å; A72-E76 WeakPolarHBondContact O-CB 3.43Å; A72-E76 VanDerWaalsContact O-CG 3.31Å; A72-E76 WeakPolarHBondContact O-CG 3.45Å; A72-E76 PolarHBondContact O-N 3.44Å
73	L	88.6	Confident	89.7	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-59.5	-39.8	178.6	-73.7	168.5	0	0	0	112.3	A69 I70 E76 G77 K78 Q81 A82 L85	A69-L73 WeakPolarHBondContact O-CB 3.45Å; A69-L73 VanDerWaalsContact O-CG 3.23Å; A69-L73 WeakPolarHBondContact O-CG 3.32Å; A69-L73 PolarHBondContact O-N 2.7Å; I70-L73 PolarHBondContact O-N 2.92Å; L73-E76 PolarHBondContact O-N 2.98Å; L73-G77 PolarHBondContact O-N 2.91Å; L73-K78 HydrophobicContact CB-CB 4.38Å; L73-K78 HydrophobicContact CD2-CB 3.89Å; L73-K78 HydrophobicContact CD2-CD 3.62Å; L73-K78 HydrophobicContact CD2-CG 4.44Å; L73-K78 WeakPolarHBondContact O-CA 3.26Å; L73-K78 PolarHBondContact O-N 3.43Å; L73-Q81 HydrophobicContact CD1-CB 4.13Å; L73-Q81 HydrophobicContact CD2-CB 4.25Å; L73-A82 HydrophobicContact CB-CB 3.79Å; L73-L85 HydrophobicContact CD1-CD2 4.16Å
74	V	90.2	Very high	89.8	Confident	19 Å²	19	38.3 Å²	38.3	12%	0.115	21%	0.213	C	C	.	.	H	α-helix	trans	-64.2	-45.8	174.8	177.3	0	0	0	0	110.9	I70 A72 E76 G77 A82 E107 I108 A111	I70-V74 WeakPolarHBondContact O-CG2 3.39Å; I70-V74 PolarHBondContact O-N 2.92Å; A72-V74 VanDerWaalsContact C-N 3.31Å; A72-V74 PolarHBondContact O-N 2.94Å; V74-E76 VanDerWaalsContact C-N 3.28Å; V74-E76 PolarHBondContact O-N 3.38Å; V74-G77 PolarHBondContact O-N 3.33Å; V74-A82 HydrophobicContact CG2-CB 3.6Å; V74-E107 HydrophobicContact CG1-CB 4.18Å; V74-I108 HydrophobicContact CG2-CG1 3.73Å; V74-A111 HydrophobicContact CG1-CB 3.94Å
75	K	85.4	Confident	89.9	Confident	155 Å²	155	38.6 Å²	38.6	67%	0.674	21%	0.214	S	C	*	.	H	α-helix	trans	-63	-33	176.7	-73.3	-172.9	176.2	-170.1	0	113.2	R71 A72 G77	R71-K75 PolarHBondContact O-N 3.21Å; A72-K75 PolarHBondContact O-N 3.47Å; A72-K75 VanDerWaalsContact O-N 3.13Å; K75-G77 PolarHBondContact O-N 3.47Å
76	E	82.1	Confident	90	Very high	77 Å²	77	39.8 Å²	39.8	36%	0.36	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-1	176	-70	175.2	-150.6	0	0	113.4	S47 A72 L73 V74 K78	S47-E76 VanDerWaalsContact CB-OE1 3.22Å; S47-E76 WeakPolarHBondContact CB-OE1 3.27Å; S47-E76 PolarHBondContact N-OE1 2.9Å; S47-E76 PolarHBondContact OG-OE1 3.23Å; S47-E76 PolarHBondContact OG-OE2 3.19Å; A72-E76 WeakPolarHBondContact O-CB 3.43Å; A72-E76 VanDerWaalsContact O-CG 3.31Å; A72-E76 WeakPolarHBondContact O-CG 3.45Å; A72-E76 PolarHBondContact O-N 3.44Å; L73-E76 PolarHBondContact O-N 2.98Å; V74-E76 VanDerWaalsContact C-N 3.28Å; V74-E76 PolarHBondContact O-N 3.38Å; E76-K78 VanDerWaalsContact C-N 3.27Å; E76-K78 HydrophobicContact CB-CD 4.32Å; E76-K78 HydrophobicContact CB-CG 4.39Å; E76-K78 PolarHBondContact O-N 3.45Å; E76-K78 WeakPolarHBondContact OE2-CE 3.29Å; E76-K78 IonicContact OE2-NZ 3.54Å; E76-K78 PolarHBondContact OE2-NZ 3.05Å
77	G	83.2	Confident	90	Very high	58 Å²	58	45 Å²	45	60%	0.598	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.5	7.8	-178	0	0	0	0	0	114.7	L73 V74 K75 T79	L73-G77 PolarHBondContact O-N 2.91Å; V74-G77 PolarHBondContact O-N 3.33Å; K75-G77 PolarHBondContact O-N 3.47Å; G77-T79 PolarHBondContact O-N 3.3Å; G77-T79 VanDerWaalsContact O-N 3.09Å
78	K	85.8	Confident	90	Very high	88 Å²	88	50.5 Å²	50.5	38%	0.383	27%	0.273	S	S	.	.			trans	-86.1	50.3	178.9	-64	171	-178.8	163.7	0	111.3	L73 E76 G80 Q81 A82	L73-K78 HydrophobicContact CB-CB 4.38Å; L73-K78 HydrophobicContact CD2-CB 3.89Å; L73-K78 HydrophobicContact CD2-CD 3.62Å; L73-K78 HydrophobicContact CD2-CG 4.44Å; L73-K78 WeakPolarHBondContact O-CA 3.26Å; L73-K78 PolarHBondContact O-N 3.43Å; E76-K78 VanDerWaalsContact C-N 3.27Å; E76-K78 HydrophobicContact CB-CD 4.32Å; E76-K78 HydrophobicContact CB-CG 4.39Å; E76-K78 PolarHBondContact O-N 3.45Å; E76-K78 WeakPolarHBondContact OE2-CE 3.29Å; E76-K78 IonicContact OE2-NZ 3.54Å; E76-K78 PolarHBondContact OE2-NZ 3.05Å; K78-G80 VanDerWaalsContact C-N 3.26Å; K78-G80 PolarHBondContact O-N 2.87Å; K78-G80 VanDerWaalsContact O-N 3.16Å; K78-Q81 PolarHBondContact O-N 3.38Å; K78-Q81 VanDerWaalsContact O-N 3.13Å; K78-A82 PolarHBondContact O-N 3.34Å; K78-A82 VanDerWaalsContact O-N 3.09Å
79	T	87.5	Confident	90	Very high	27 Å²	27	51 Å²	51	17%	0.166	28%	0.276	C	S	.	.	H	α-helix	trans	-57	-35.5	-171.7	-44.3	0	0	0	0	113.3	G77 A82 V83 A111 Q112	G77-T79 PolarHBondContact O-N 3.3Å; G77-T79 VanDerWaalsContact O-N 3.09Å; T79-A82 PolarHBondContact O-N 2.98Å; T79-V83 HydrophobicContact CG2-CG2 4.45Å; T79-V83 WeakPolarHBondContact O-CG2 3.48Å; T79-V83 PolarHBondContact O-N 2.64Å; T79-A111 HydrophobicContact CG2-CB 3.7Å; T79-Q112 HydrophobicContact CG2-CG 3.89Å
80	G	87.2	Confident	89.9	Confident	58 Å²	58	53.4 Å²	53.4	60%	0.598	29%	0.291	S	S	*	.	H	α-helix	trans	-61.4	-47	177.3	0	0	0	0	0	113.2	K78 A82 V83 E84	K78-G80 VanDerWaalsContact C-N 3.26Å; K78-G80 PolarHBondContact O-N 2.87Å; K78-G80 VanDerWaalsContact O-N 3.16Å; G80-A82 VanDerWaalsContact C-N 3.34Å; G80-V83 PolarHBondContact O-N 2.96Å; G80-E84 PolarHBondContact O-N 2.79Å; G80-E84 VanDerWaalsContact O-N 3.11Å
81	Q	88.4	Confident	89.3	Confident	104 Å²	104	61.1 Å²	61.1	49%	0.486	33%	0.328	S	S	.	.	H	α-helix	trans	-67.3	-37.6	176.8	-65.5	179.7	22.7	0	0	111.3	L73 K78 V83 E84 L85	L73-Q81 HydrophobicContact CD1-CB 4.13Å; L73-Q81 HydrophobicContact CD2-CB 4.25Å; K78-Q81 PolarHBondContact O-N 3.38Å; K78-Q81 VanDerWaalsContact O-N 3.13Å; Q81-V83 VanDerWaalsContact C-N 3.34Å; Q81-V83 PolarHBondContact O-N 3.35Å; Q81-E84 PolarHBondContact O-N 3.03Å; Q81-L85 WeakPolarHBondContact O-CB 3.3Å; Q81-L85 PolarHBondContact O-N 3.08Å
82	A	90.9	Very high	88.9	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-60.1	-43.8	175.5	0	0	0	0	0	111.8	I70 L73 V74 K78 T79 G80 L85 F86	I70-A82 HydrophobicContact CG2-CB 4.25Å; L73-A82 HydrophobicContact CB-CB 3.79Å; V74-A82 HydrophobicContact CG2-CB 3.6Å; K78-A82 PolarHBondContact O-N 3.34Å; K78-A82 VanDerWaalsContact O-N 3.09Å; T79-A82 PolarHBondContact O-N 2.98Å; G80-A82 VanDerWaalsContact C-N 3.34Å; A82-L85 PolarHBondContact O-N 2.92Å; A82-F86 WeakPolarHBondContact O-CB 3.48Å; A82-F86 PolarHBondContact O-N 3.34Å
83	V	93.9	Very high	89	Confident	33 Å²	33	68.7 Å²	68.7	20%	0.2	36%	0.362	C	S	.	.	H	α-helix	trans	-64.5	-42.9	177.7	171.2	0	0	0	0	111.5	T79 G80 Q81 F86 N87 I108 Q112	T79-V83 HydrophobicContact CG2-CG2 4.45Å; T79-V83 WeakPolarHBondContact O-CG2 3.48Å; T79-V83 PolarHBondContact O-N 2.64Å; G80-V83 PolarHBondContact O-N 2.96Å; Q81-V83 VanDerWaalsContact C-N 3.34Å; Q81-V83 PolarHBondContact O-N 3.35Å; V83-F86 PolarHBondContact O-N 3.01Å; V83-N87 WeakPolarHBondContact O-CB 3.36Å; V83-N87 VanDerWaalsContact O-CG 3.23Å; V83-N87 PolarHBondContact O-N 2.85Å; V83-N87 PolarHBondContact O-ND2 2.78Å; V83-I108 HydrophobicContact CG2-CG2 3.54Å; V83-Q112 VanDerWaalsContact CG2-NE2 3.31Å
84	E	92.7	Very high	89	Confident	120 Å²	120	71.8 Å²	71.8	56%	0.561	38%	0.379	S	S	*	.	H	α-helix	trans	-60.1	-49.4	177.1	-174.7	178	179.8	0	0	111	G80 Q81 F86 N87 Q88	G80-E84 PolarHBondContact O-N 2.79Å; G80-E84 VanDerWaalsContact O-N 3.11Å; Q81-E84 PolarHBondContact O-N 3.03Å; E84-F86 VanDerWaalsContact C-N 3.31Å; E84-F86 PolarHBondContact O-N 2.98Å; E84-N87 PolarHBondContact O-N 2.78Å; E84-Q88 WeakPolarHBondContact O-CG 3.35Å; E84-Q88 PolarHBondContact O-N 2.87Å
85	L	93.5	Very high	88.8	Confident	15 Å²	15	76 Å²	76	8%	0.079	40%	0.401	C	S	.	.	H	α-helix	trans	-67.1	-33	178.8	-166.7	64.2	0	0	0	112.3	L51 M54 Q66 A69 I70 L73 Q81 A82 Q88	L51-L85 HydrophobicContact CD2-CD2 3.75Å; M54-L85 HydrophobicContact CE-CD1 4.32Å; M54-L85 HydrophobicContact SD-CD1 4.03Å; Q66-L85 HydrophobicContact CG-CD1 3.91Å; Q66-L85 HydrophobicContact CG-CD2 4.18Å; Q66-L85 HydrophobicContact CG-CG 3.74Å; Q66-L85 PolarHBondContact NE2-O 3.38Å; A69-L85 HydrophobicContact CB-CD2 3.69Å; I70-L85 HydrophobicContact CD1-CG 4.34Å; I70-L85 HydrophobicContact CG1-CB 3.93Å; I70-L85 HydrophobicContact CG1-CD2 3.83Å; I70-L85 HydrophobicContact CG1-CG 3.87Å; L73-L85 HydrophobicContact CD1-CD2 4.16Å; Q81-L85 WeakPolarHBondContact O-CB 3.3Å; Q81-L85 PolarHBondContact O-N 3.08Å; A82-L85 PolarHBondContact O-N 2.92Å; L85-Q88 PolarHBondContact O-N 3.28Å
86	F	95.5	Very high	88.7	Confident	36 Å²	36	70.3 Å²	70.3	16%	0.158	38%	0.383	C	S	.	.	H	α-helix	trans	-65.8	-40.5	174.7	-175.6	-87.4	0	0	0	112.4	I70 A82 V83 E84 Q88 L89 K101 L104 A105 I108	I70-F86 HydrophobicContact CD1-CB 4.03Å; I70-F86 HydrophobicContact CD1-CD2 4.24Å; I70-F86 HydrophobicContact CG2-CB 4.41Å; I70-F86 HydrophobicContact CG2-CD2 4.31Å; A82-F86 WeakPolarHBondContact O-CB 3.48Å; A82-F86 PolarHBondContact O-N 3.34Å; V83-F86 PolarHBondContact O-N 3.01Å; E84-F86 VanDerWaalsContact C-N 3.31Å; E84-F86 PolarHBondContact O-N 2.98Å; F86-Q88 PolarHBondContact O-N 3.33Å; F86-L89 HydrophobicContact CD2-CD1 3.92Å; F86-L89 HydrophobicContact CE2-CD1 4.2Å; F86-L89 HydrophobicContact CG-CD1 4.33Å; F86-L89 WeakPolarHBondContact O-CB 3.45Å; F86-L89 WeakPolarHBondContact O-CG 3.29Å; F86-L89 PolarHBondContact O-N 3.27Å; F86-K101 HydrophobicContact CE2-CG 3.72Å; F86-K101 WeakPolarHBondContact CE2-O 3.36Å; F86-K101 HydrophobicContact CZ-CG 3.73Å; F86-L104 HydrophobicContact CD2-CB 4.4Å; F86-L104 HydrophobicContact CE2-CB 4.15Å; F86-A105 HydrophobicContact CE2-CB 4.17Å; F86-A105 HydrophobicContact CZ-CB 3.73Å; F86-I108 HydrophobicContact CB-CD1 3.8Å; F86-I108 HydrophobicContact CD1-CD1 4.38Å; F86-I108 HydrophobicContact CD2-CD1 3.62Å; F86-I108 HydrophobicContact CE2-CD1 4.3Å; F86-I108 HydrophobicContact CG-CD1 3.68Å
87	N	93.8	Very high	89.1	Confident	120 Å²	120	66.6 Å²	66.6	64%	0.642	37%	0.366	S	S	*	.	H	α-helix	trans	-68.8	-18	177.7	-71.1	-22.2	0	0	0	113	V83 E84	V83-N87 WeakPolarHBondContact O-CB 3.36Å; V83-N87 VanDerWaalsContact O-CG 3.23Å; V83-N87 PolarHBondContact O-N 2.85Å; V83-N87 PolarHBondContact O-ND2 2.78Å; E84-N87 PolarHBondContact O-N 2.78Å
88	Q	92.6	Very high	89.4	Confident	116 Å²	116	69.7 Å²	69.7	54%	0.542	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	0.5	176.2	-66.3	174.3	13.2	0	0	113.6	E84 L85 F86	E84-Q88 WeakPolarHBondContact O-CG 3.35Å; E84-Q88 PolarHBondContact O-N 2.87Å; L85-Q88 PolarHBondContact O-N 3.28Å; F86-Q88 PolarHBondContact O-N 3.33Å
89	L	92.2	Very high	89.5	Confident	11 Å²	11	69.8 Å²	69.8	6%	0.058	36%	0.357	C	S	.	.	S	Bend	trans	-67.5	137.8	177.1	-74.1	166.9	0	0	0	110.9	I63 Q66 L67 I70 F86 K101	I63-L89 HydrophobicContact CG2-CD2 4.38Å; Q66-L89 HydrophobicContact CB-CD2 4.32Å; Q66-L89 HydrophobicContact CG-CD2 3.91Å; L67-L89 HydrophobicContact CD2-CD1 3.77Å; L67-L89 HydrophobicContact CD2-CD2 3.95Å; L67-L89 HydrophobicContact CG-CD2 4.22Å; I70-L89 HydrophobicContact CD1-CD1 3.82Å; I70-L89 HydrophobicContact CD1-CD2 4.38Å; I70-L89 HydrophobicContact CD1-CG 4.14Å; F86-L89 HydrophobicContact CD2-CD1 3.92Å; F86-L89 HydrophobicContact CE2-CD1 4.2Å; F86-L89 HydrophobicContact CG-CD1 4.33Å; F86-L89 WeakPolarHBondContact O-CB 3.45Å; F86-L89 WeakPolarHBondContact O-CG 3.29Å; F86-L89 PolarHBondContact O-N 3.27Å; L89-K101 HydrophobicContact CD1-CD 4.1Å; L89-K101 HydrophobicContact CD1-CG 4.08Å
90	P	89.7	Confident	89.7	Confident	50 Å²	50	68.5 Å²	68.5	33%	0.325	35%	0.349	S	S	.	.			trans	-63	159.3	177.3	25	-31.4	0	0	0	112.2	I63 L93	I63-P90 HydrophobicContact CD1-CG 3.57Å; I63-P90 HydrophobicContact CG1-CG 3.94Å; P90-L93 HydrophobicContact CG-CD2 3.98Å
91	Q	82.1	Confident	90	Very high	163 Å²	163	67.9 Å²	67.9	76%	0.762	33%	0.33	S	S	*	.	S	Bend	trans	-76.3	-35.6	178.1	-68.5	-64.4	-22.6	0	0	112.1	L93	Q91-L93 PolarHBondContact O-N 3.03Å
92	E	84.8	Confident	90.1	Very high	175 Å²	175	65.2 Å²	65.2	82%	0.818	32%	0.321	S	S	*	.			trans	-84.8	112.5	175.1	-63.1	-170	177.2	0	0	109.4
93	L	88.8	Confident	90.2	Very high	15 Å²	15	65.4 Å²	65.4	8%	0.079	32%	0.322	C	S	.	.			trans	-133.4	141.5	178.4	-64.3	172.9	0	0	0	108.3	I63 P90 Q91 Q97 R98 K101	I63-L93 HydrophobicContact CD1-CD2 4.31Å; I63-L93 HydrophobicContact CG2-CD2 3.63Å; P90-L93 HydrophobicContact CG-CD2 3.98Å; Q91-L93 PolarHBondContact O-N 3.03Å; L93-Q97 HydrophobicContact CB-CB 3.99Å; L93-Q97 HydrophobicContact CD2-CB 4.11Å; L93-Q97 HydrophobicContact CG-CB 4.5Å; L93-R98 HydrophobicContact CB-CB 4.46Å; L93-R98 PolarHBondContact O-NH2 2.88Å; L93-K101 HydrophobicContact CD1-CB 4.31Å; L93-K101 HydrophobicContact CD1-CD 3.37Å; L93-K101 HydrophobicContact CD1-CG 4.46Å
94	N	88.8	Confident	90.2	Very high	68 Å²	68	63.8 Å²	63.8	36%	0.364	31%	0.312	S	S	.	.			trans	-68	166.7	168.9	69.3	47.7	0	0	0	110.7	A96 Q97 R98	N94-A96 VanDerWaalsContact C-N 3.28Å; N94-A96 PolarHBondContact O-N 3.01Å; N94-A96 PolarHBondContact OD1-N 3.44Å; N94-Q97 VanDerWaalsContact CG-CD 3.49Å; N94-Q97 PolarHBondContact ND2-NE2 3.37Å; N94-Q97 PolarHBondContact ND2-OE1 3.45Å; N94-Q97 PolarHBondContact O-N 3.17Å; N94-Q97 WeakPolarHBondContact OD1-CG 3.3Å; N94-Q97 PolarHBondContact OD1-N 3.14Å; N94-R98 WeakPolarHBondContact O-CB 3.4Å; N94-R98 PolarHBondContact O-N 2.95Å
95	D	86.2	Confident	90.4	Very high	106 Å²	106	59 Å²	59	57%	0.567	29%	0.293	S	S	*	.	H	α-helix	trans	-62	-34.8	-172.9	-66.6	-27.9	0	0	0	113.3	R98 R99	D95-R98 PolarHBondContact O-N 2.88Å; D95-R99 WeakPolarHBondContact O-CG 3.07Å; D95-R99 PolarHBondContact O-N 3.13Å
96	A	84.1	Confident	90.5	Very high	36 Å²	36	58.3 Å²	58.3	30%	0.298	29%	0.289	S	S	.	.	H	α-helix	trans	-66.7	-47.3	177.2	0	0	0	0	0	111.5	N94 R98 R99 E100	N94-A96 VanDerWaalsContact C-N 3.28Å; N94-A96 PolarHBondContact O-N 3.01Å; N94-A96 PolarHBondContact OD1-N 3.44Å; A96-R98 VanDerWaalsContact C-N 3.32Å; A96-R98 PolarHBondContact O-N 3.34Å; A96-R99 PolarHBondContact O-N 3.3Å; A96-E100 PolarHBondContact O-N 2.87Å
97	Q	89.4	Confident	90.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.6	-37.8	175.2	-70.8	164.3	-11.5	0	0	111.8	M39 D60 I63 N64 L67 L93 N94 E100 K101	M39-Q97 HydrophobicContact CE-CG 4.47Å; D60-Q97 PolarHBondContact OD1-NE2 2.91Å; I63-Q97 HydrophobicContact CG2-CG 4.09Å; N64-Q97 WeakPolarHBondContact OD1-CG 3.49Å; N64-Q97 PolarHBondContact OD1-NE2 2.8Å; L67-Q97 HydrophobicContact CD1-CB 3.97Å; L67-Q97 HydrophobicContact CD1-CG 4Å; L93-Q97 HydrophobicContact CB-CB 3.99Å; L93-Q97 HydrophobicContact CD2-CB 4.11Å; L93-Q97 HydrophobicContact CG-CB 4.5Å; N94-Q97 VanDerWaalsContact CG-CD 3.49Å; N94-Q97 PolarHBondContact ND2-NE2 3.37Å; N94-Q97 PolarHBondContact ND2-OE1 3.45Å; N94-Q97 PolarHBondContact O-N 3.17Å; N94-Q97 WeakPolarHBondContact OD1-CG 3.3Å; N94-Q97 PolarHBondContact OD1-N 3.14Å; Q97-E100 PolarHBondContact O-N 3.34Å; Q97-K101 VanDerWaalsContact O-CB 3.29Å; Q97-K101 WeakPolarHBondContact O-CB 3.44Å; Q97-K101 PolarHBondContact O-N 2.89Å
98	R	90.2	Very high	90.4	Very high	123 Å²	123	52.6 Å²	52.6	46%	0.464	26%	0.26	S	S	.	.	H	α-helix	trans	-66.4	-42.9	178.3	-169	-173.9	-53.5	-89.9	-8.1	112.1	L93 N94 D95 A96 T102	L93-R98 HydrophobicContact CB-CB 4.46Å; L93-R98 PolarHBondContact O-NH2 2.88Å; N94-R98 WeakPolarHBondContact O-CB 3.4Å; N94-R98 PolarHBondContact O-N 2.95Å; D95-R98 PolarHBondContact O-N 2.88Å; A96-R98 VanDerWaalsContact C-N 3.32Å; A96-R98 PolarHBondContact O-N 3.34Å; R98-T102 PolarHBondContact O-N 3.44Å; R98-T102 PolarHBondContact O-OG1 3.29Å
99	R	88.1	Confident	90.5	Very high	89 Å²	89	50.2 Å²	50.2	34%	0.336	25%	0.247	S	C	.	.	H	α-helix	trans	-60.8	-47	173.5	-75.1	-172.3	-66.3	-91.2	3.8	110.9	D95 A96 T102 L103 L130	D95-R99 WeakPolarHBondContact O-CG 3.07Å; D95-R99 PolarHBondContact O-N 3.13Å; A96-R99 PolarHBondContact O-N 3.3Å; R99-T102 PolarHBondContact O-N 3.09Å; R99-L103 PolarHBondContact O-N 3.32Å; R99-L103 VanDerWaalsContact O-N 3.14Å; R99-L130 HydrophobicContact CB-CD2 4.35Å; R99-L130 HydrophobicContact CG-CD2 4.39Å
100	E	90.2	Very high	90.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62	-46.8	178.6	-176.5	57.4	-155.2	0	0	112.5	M39 L67 R71 A96 Q97 T102 L103 L104 Q134 R137	M39-E100 HydrophobicContact SD-CG 4.24Å; L67-E100 HydrophobicContact CB-CG 4.17Å; L67-E100 HydrophobicContact CD1-CB 4.26Å; L67-E100 HydrophobicContact CD1-CG 4.17Å; L67-E100 HydrophobicContact CD2-CG 4.44Å; R71-E100 IonicContact CZ-OE1 2.84Å; R71-E100 VanDerWaalsContact CZ-OE1 3.24Å; R71-E100 IonicContact NE-OE1 2.89Å; R71-E100 PolarHBondContact NE-OE1 3.15Å; R71-E100 IonicContact NH2-OE1 3.99Å; R71-E100 PolarHBondContact NH2-OE1 2.89Å; R71-E100 IonicContact NH2-OE2 2.88Å; R71-E100 PolarHBondContact NH2-OE2 2.68Å; A96-E100 PolarHBondContact O-N 2.87Å; Q97-E100 PolarHBondContact O-N 3.34Å; E100-T102 VanDerWaalsContact C-N 3.26Å; E100-T102 PolarHBondContact O-N 3.3Å; E100-L103 PolarHBondContact O-N 3.37Å; E100-L104 HydrophobicContact CG-CD1 4.11Å; E100-L104 HydrophobicContact CG-CG 4.49Å; E100-L104 WeakPolarHBondContact O-CG 3.3Å; E100-L104 PolarHBondContact O-N 3.07Å; E100-Q134 PolarHBondContact OE2-NE2 3.12Å; E100-Q134 VanDerWaalsContact OE2-NE2 3.09Å; E100-R137 VanDerWaalsContact CD-NH1 3.25Å; E100-R137 IonicContact OE1-CZ 2.67Å; E100-R137 IonicContact OE1-NH1 3.67Å; E100-R137 PolarHBondContact OE1-NH1 3.01Å; E100-R137 IonicContact OE1-NH2 2.71Å; E100-R137 PolarHBondContact OE1-NH2 2.77Å; E100-R137 VanDerWaalsContact OE1-NH2 3.1Å; E100-R137 IonicContact OE2-NH1 3.94Å; E100-R137 PolarHBondContact OE2-NH1 3.06Å
101	K	93.1	Very high	90.6	Very high	45 Å²	45	50.3 Å²	50.3	20%	0.196	25%	0.251	C	S	.	.	H	α-helix	trans	-55.6	-42.2	175	176.1	177.1	177.4	175.7	0	111.9	L67 F86 L89 L93 Q97 L103 L104 A105	L67-K101 HydrophobicContact CD2-CB 4.16Å; F86-K101 HydrophobicContact CE2-CG 3.72Å; F86-K101 WeakPolarHBondContact CE2-O 3.36Å; F86-K101 HydrophobicContact CZ-CG 3.73Å; L89-K101 HydrophobicContact CD1-CD 4.1Å; L89-K101 HydrophobicContact CD1-CG 4.08Å; L93-K101 HydrophobicContact CD1-CB 4.31Å; L93-K101 HydrophobicContact CD1-CD 3.37Å; L93-K101 HydrophobicContact CD1-CG 4.46Å; Q97-K101 VanDerWaalsContact O-CB 3.29Å; Q97-K101 WeakPolarHBondContact O-CB 3.44Å; Q97-K101 PolarHBondContact O-N 2.89Å; K101-L103 VanDerWaalsContact C-N 3.35Å; K101-L104 PolarHBondContact O-N 3.11Å; K101-A105 PolarHBondContact O-N 3.48Å
102	T	92	Very high	91	Very high	49 Å²	49	47 Å²	47	30%	0.301	24%	0.236	S	C	.	.	H	α-helix	trans	-65	-41.6	-179.1	-53.2	0	0	0	0	110.9	R98 R99 E100 A105 V106 I125	R98-T102 PolarHBondContact O-N 3.44Å; R98-T102 PolarHBondContact O-OG1 3.29Å; R99-T102 PolarHBondContact O-N 3.09Å; E100-T102 VanDerWaalsContact C-N 3.26Å; E100-T102 PolarHBondContact O-N 3.3Å; T102-A105 WeakPolarHBondContact O-CB 3.4Å; T102-A105 PolarHBondContact O-N 3.1Å; T102-V106 PolarHBondContact O-N 2.77Å; T102-I125 HydrophobicContact CG2-CD1 3.8Å; T102-I125 HydrophobicContact CG2-CG1 3.83Å
103	L	93	Very high	91.3	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.016	23%	0.227	C	C	.	.	H	α-helix	trans	-68.1	-40.3	176.8	-171.9	58.1	0	0	0	112.3	R99 E100 K101 A105 V106 E107 Q134 R137	R99-L103 PolarHBondContact O-N 3.32Å; R99-L103 VanDerWaalsContact O-N 3.14Å; E100-L103 PolarHBondContact O-N 3.37Å; K101-L103 VanDerWaalsContact C-N 3.35Å; L103-A105 VanDerWaalsContact C-N 3.29Å; L103-A105 PolarHBondContact O-N 3.04Å; L103-V106 WeakPolarHBondContact O-CB 3.44Å; L103-V106 PolarHBondContact O-N 2.9Å; L103-V106 VanDerWaalsContact O-N 3.12Å; L103-E107 PolarHBondContact O-N 2.72Å; L103-Q134 HydrophobicContact CD2-CB 4.29Å; L103-R137 HydrophobicContact CD2-CB 3.73Å; L103-R137 HydrophobicContact CG-CB 4.46Å
104	L	94.3	Very high	91.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.9	-36.6	173.3	-69.8	171.3	0	0	0	112.3	L67 I70 R71 F86 E100 K101 V106 E107 I108	L67-L104 HydrophobicContact CB-CD1 4.07Å; L67-L104 HydrophobicContact CD2-CD1 3.64Å; L67-L104 HydrophobicContact CG-CD1 4.48Å; L67-L104 WeakPolarHBondContact O-CD1 3.17Å; I70-L104 HydrophobicContact CB-CD1 4.24Å; I70-L104 HydrophobicContact CG2-CB 4.42Å; I70-L104 HydrophobicContact CG2-CD1 4.19Å; I70-L104 HydrophobicContact CG2-CD2 4.3Å; R71-L104 HydrophobicContact CB-CD2 3.63Å; R71-L104 HydrophobicContact CG-CD2 3.9Å; F86-L104 HydrophobicContact CD2-CB 4.4Å; F86-L104 HydrophobicContact CE2-CB 4.15Å; E100-L104 HydrophobicContact CG-CD1 4.11Å; E100-L104 HydrophobicContact CG-CG 4.49Å; E100-L104 WeakPolarHBondContact O-CG 3.3Å; E100-L104 PolarHBondContact O-N 3.07Å; K101-L104 PolarHBondContact O-N 3.11Å; L104-V106 VanDerWaalsContact C-N 3.26Å; L104-V106 PolarHBondContact O-N 2.82Å; L104-E107 PolarHBondContact O-N 2.92Å; L104-I108 WeakPolarHBondContact O-CB 3.35Å; L104-I108 VanDerWaalsContact O-CG1 3.29Å; L104-I108 WeakPolarHBondContact O-CG1 3.43Å; L104-I108 PolarHBondContact O-N 3.4Å
105	A	95.6	Very high	91.6	Very high	19 Å²	19	46.9 Å²	46.9	16%	0.157	23%	0.231	C	C	.	.	H	α-helix	trans	-60	-39.6	174.5	0	0	0	0	0	111.5	F86 K101 T102 L103 K109 L121	F86-A105 HydrophobicContact CE2-CB 4.17Å; F86-A105 HydrophobicContact CZ-CB 3.73Å; K101-A105 PolarHBondContact O-N 3.48Å; T102-A105 WeakPolarHBondContact O-CB 3.4Å; T102-A105 PolarHBondContact O-N 3.1Å; L103-A105 VanDerWaalsContact C-N 3.29Å; L103-A105 PolarHBondContact O-N 3.04Å; A105-K109 VanDerWaalsContact O-CG 3.24Å; A105-K109 WeakPolarHBondContact O-CG 3.26Å; A105-K109 PolarHBondContact O-N 3.03Å; A105-K109 VanDerWaalsContact O-N 3.07Å; A105-L121 HydrophobicContact CB-CD1 3.95Å
106	V	95.5	Very high	91.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.6	-49.6	174	179.5	0	0	0	0	110.7	T102 L103 L104 I108 K109 L110 A118 L121 L122 I125 A141	T102-V106 PolarHBondContact O-N 2.77Å; L103-V106 WeakPolarHBondContact O-CB 3.44Å; L103-V106 PolarHBondContact O-N 2.9Å; L103-V106 VanDerWaalsContact O-N 3.12Å; L104-V106 VanDerWaalsContact C-N 3.26Å; L104-V106 PolarHBondContact O-N 2.82Å; V106-I108 VanDerWaalsContact C-N 3.3Å; V106-I108 PolarHBondContact O-N 3.16Å; V106-K109 WeakPolarHBondContact O-CB 3.24Å; V106-K109 PolarHBondContact O-N 3.44Å; V106-L110 HydrophobicContact CG1-CD1 4.11Å; V106-L110 HydrophobicContact CG1-CG 4.42Å; V106-L110 WeakPolarHBondContact O-CG 3.43Å; V106-L110 PolarHBondContact O-N 2.87Å; V106-A118 HydrophobicContact CG1-CB 4.02Å; V106-L121 HydrophobicContact CG2-CB 3.64Å; V106-L121 HydrophobicContact CG2-CD1 4.39Å; V106-L122 HydrophobicContact CB-CG 4.43Å; V106-L122 HydrophobicContact CG1-CD1 3.71Å; V106-L122 HydrophobicContact CG1-CD2 3.89Å; V106-L122 HydrophobicContact CG1-CG 3.59Å; V106-L122 HydrophobicContact CG2-CD2 4.13Å; V106-L122 HydrophobicContact CG2-CG 3.93Å; V106-I125 HydrophobicContact CG2-CD1 4.31Å; V106-A141 HydrophobicContact CG1-CB 3.75Å
107	E	93.9	Very high	92.3	Very high	27 Å²	27	43.6 Å²	43.6	13%	0.126	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-38.5	-179	-68.3	175.4	177.6	0	0	112	V74 L103 L104 L110 A111 R137	V74-E107 HydrophobicContact CG1-CB 4.18Å; L103-E107 PolarHBondContact O-N 2.72Å; L104-E107 PolarHBondContact O-N 2.92Å; E107-L110 PolarHBondContact O-N 3.02Å; E107-A111 WeakPolarHBondContact O-CB 3.35Å; E107-A111 PolarHBondContact O-N 2.87Å; E107-R137 IonicContact OE1-CZ 3.39Å; E107-R137 IonicContact OE1-NE 3.62Å; E107-R137 PolarHBondContact OE1-NE 3.03Å; E107-R137 IonicContact OE1-NH2 2.87Å; E107-R137 PolarHBondContact OE1-NH2 3.08Å; E107-R137 IonicContact OE2-CZ 2.84Å; E107-R137 IonicContact OE2-NH2 3.29Å; E107-R137 PolarHBondContact OE2-NH2 3.2Å
108	I	94.7	Very high	92.5	Very high	10 Å²	10	43.6 Å²	43.6	5%	0.051	22%	0.22	C	C	.	.	H	α-helix	trans	-61.7	-46	172.3	-72.2	168.8	0	0	0	110.8	I70 V74 V83 F86 L104 V106 L110 A111 Q112	I70-I108 HydrophobicContact CG2-CD1 4.05Å; V74-I108 HydrophobicContact CG2-CG1 3.73Å; V83-I108 HydrophobicContact CG2-CG2 3.54Å; F86-I108 HydrophobicContact CB-CD1 3.8Å; F86-I108 HydrophobicContact CD1-CD1 4.38Å; F86-I108 HydrophobicContact CD2-CD1 3.62Å; F86-I108 HydrophobicContact CE2-CD1 4.3Å; F86-I108 HydrophobicContact CG-CD1 3.68Å; L104-I108 WeakPolarHBondContact O-CB 3.35Å; L104-I108 VanDerWaalsContact O-CG1 3.29Å; L104-I108 WeakPolarHBondContact O-CG1 3.43Å; L104-I108 PolarHBondContact O-N 3.4Å; V106-I108 VanDerWaalsContact C-N 3.3Å; V106-I108 PolarHBondContact O-N 3.16Å; I108-L110 VanDerWaalsContact C-N 3.34Å; I108-L110 PolarHBondContact O-N 3.02Å; I108-A111 PolarHBondContact O-N 3.08Å; I108-Q112 HydrophobicContact CG2-CG 4.45Å; I108-Q112 WeakPolarHBondContact O-CB 3.43Å; I108-Q112 VanDerWaalsContact O-CG 3.3Å; I108-Q112 WeakPolarHBondContact O-CG 3.16Å; I108-Q112 PolarHBondContact O-N 2.92Å
109	K	94.9	Very high	92.6	Very high	65 Å²	65	42.4 Å²	42.4	28%	0.283	22%	0.22	S	C	.	.	H	α-helix	trans	-61.4	-41.9	178.1	-73.1	-65.3	-169.9	172.9	0	112.1	A105 V106 Q112 K113 D114 A118 L121	A105-K109 VanDerWaalsContact O-CG 3.24Å; A105-K109 WeakPolarHBondContact O-CG 3.26Å; A105-K109 PolarHBondContact O-N 3.03Å; A105-K109 VanDerWaalsContact O-N 3.07Å; V106-K109 WeakPolarHBondContact O-CB 3.24Å; V106-K109 PolarHBondContact O-N 3.44Å; K109-Q112 CarbonylContact O-C 3.53Å; K109-Q112 PolarHBondContact O-N 3Å; K109-K113 PolarHBondContact O-N 2.84Å; K109-D114 HydrophobicContact CB-CB 4.47Å; K109-D114 HydrophobicContact CD-CB 3.93Å; K109-D114 VanDerWaalsContact CD-OD2 3.26Å; K109-D114 WeakPolarHBondContact CD-OD2 3.49Å; K109-D114 WeakPolarHBondContact CE-OD2 3.26Å; K109-D114 IonicContact NZ-OD2 2.74Å; K109-D114 PolarHBondContact NZ-OD2 3.14Å; K109-D114 PolarHBondContact O-N 2.8Å; K109-A118 HydrophobicContact CB-CB 3.92Å; K109-L121 HydrophobicContact CG-CD1 3.98Å
110	L	92.6	Very high	92.8	Very high	22 Å²	22	43.4 Å²	43.4	12%	0.115	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-45.1	173.4	-68.4	172.2	0	0	0	111.8	V106 E107 I108 Q112 K113 F115 A118 A141 D144 A145	V106-L110 HydrophobicContact CG1-CD1 4.11Å; V106-L110 HydrophobicContact CG1-CG 4.42Å; V106-L110 WeakPolarHBondContact O-CG 3.43Å; V106-L110 PolarHBondContact O-N 2.87Å; E107-L110 PolarHBondContact O-N 3.02Å; I108-L110 VanDerWaalsContact C-N 3.34Å; I108-L110 PolarHBondContact O-N 3.02Å; L110-Q112 PolarHBondContact O-N 2.81Å; L110-K113 WeakPolarHBondContact O-CA 3.23Å; L110-K113 PolarHBondContact O-N 2.82Å; L110-F115 HydrophobicContact CD2-CD1 3.81Å; L110-F115 HydrophobicContact CD2-CE1 4.26Å; L110-A118 HydrophobicContact CD2-CB 3.66Å; L110-A118 HydrophobicContact CG-CB 3.81Å; L110-A141 HydrophobicContact CD1-CB 3.73Å; L110-D144 HydrophobicContact CD1-CB 3.96Å; L110-D144 HydrophobicContact CD2-CB 4.2Å; L110-A145 HydrophobicContact CD2-CB 3.93Å
111	A	89.8	Confident	93	Very high	42 Å²	42	45.5 Å²	45.5	35%	0.347	24%	0.243	S	C	.	.	H	α-helix	trans	-65.6	-26.7	176.9	0	0	0	0	0	113.2	V74 T79 E107 I108 K113	V74-A111 HydrophobicContact CG1-CB 3.94Å; T79-A111 HydrophobicContact CG2-CB 3.7Å; E107-A111 WeakPolarHBondContact O-CB 3.35Å; E107-A111 PolarHBondContact O-N 2.87Å; I108-A111 PolarHBondContact O-N 3.08Å; A111-K113 VanDerWaalsContact C-N 3.29Å
112	Q	91.4	Very high	93	Very high	92 Å²	92	43.5 Å²	43.5	43%	0.43	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-1	171	-70.5	176.6	-14.5	0	0	113.6	T79 V83 I108 K109 L110 D114	T79-Q112 HydrophobicContact CG2-CG 3.89Å; V83-Q112 VanDerWaalsContact CG2-NE2 3.31Å; I108-Q112 HydrophobicContact CG2-CG 4.45Å; I108-Q112 WeakPolarHBondContact O-CB 3.43Å; I108-Q112 VanDerWaalsContact O-CG 3.3Å; I108-Q112 WeakPolarHBondContact O-CG 3.16Å; I108-Q112 PolarHBondContact O-N 2.92Å; K109-Q112 CarbonylContact O-C 3.53Å; K109-Q112 PolarHBondContact O-N 3Å; L110-Q112 PolarHBondContact O-N 2.81Å; Q112-D114 PolarHBondContact O-N 3.04Å
113	K	90.5	Very high	92.9	Very high	147 Å²	147	45.2 Å²	45.2	64%	0.639	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	20.8	-172.3	-53.4	-174.2	-179.7	-176.3	0	114.1	K109 L110 A111 F115	K109-K113 PolarHBondContact O-N 2.84Å; L110-K113 WeakPolarHBondContact O-CA 3.23Å; L110-K113 PolarHBondContact O-N 2.82Å; A111-K113 VanDerWaalsContact C-N 3.29Å; K113-F115 VanDerWaalsContact C-N 3.32Å; K113-F115 HydrophobicContact CB-CD2 4.47Å; K113-F115 HydrophobicContact CB-CE2 3.7Å; K113-F115 HydrophobicContact CB-CZ 4.18Å; K113-F115 HydrophobicContact CG-CE2 4.37Å; K113-F115 HydrophobicContact CG-CZ 4.43Å; K113-F115 WeakPolarHBondContact O-CD2 3.41Å; K113-F115 VanDerWaalsContact O-CE2 3.32Å; K113-F115 WeakPolarHBondContact O-CE2 3.5Å; K113-F115 PolarHBondContact O-N 3.14Å
114	D	92.2	Very high	92.8	Very high	56 Å²	56	53 Å²	53	30%	0.299	29%	0.287	S	S	.	.			trans	-88.3	70.4	172.1	-177.3	7.7	0	0	0	109.8	K109 Q112 A116 G117 A118	K109-D114 HydrophobicContact CB-CB 4.47Å; K109-D114 HydrophobicContact CD-CB 3.93Å; K109-D114 VanDerWaalsContact CD-OD2 3.26Å; K109-D114 WeakPolarHBondContact CD-OD2 3.49Å; K109-D114 WeakPolarHBondContact CE-OD2 3.26Å; K109-D114 IonicContact NZ-OD2 2.74Å; K109-D114 PolarHBondContact NZ-OD2 3.14Å; K109-D114 PolarHBondContact O-N 2.8Å; Q112-D114 PolarHBondContact O-N 3.04Å; D114-A116 VanDerWaalsContact C-N 3.33Å; D114-A116 PolarHBondContact O-N 3.2Å; D114-G117 PolarHBondContact O-N 3.23Å; D114-G117 WeakPolarHBondContact OD1-CA 3.48Å; D114-G117 PolarHBondContact OD1-N 3.37Å; D114-A118 PolarHBondContact O-N 3.31Å
115	F	92.5	Very high	92.7	Very high	53 Å²	53	54 Å²	54	23%	0.232	29%	0.293	C	S	.	.	H	α-helix	trans	-65.2	-35.6	-175.9	-56.5	-82.1	0	0	0	112.4	L110 K113 A118 Q119 Q147	L110-F115 HydrophobicContact CD2-CD1 3.81Å; L110-F115 HydrophobicContact CD2-CE1 4.26Å; K113-F115 VanDerWaalsContact C-N 3.32Å; K113-F115 HydrophobicContact CB-CD2 4.47Å; K113-F115 HydrophobicContact CB-CE2 3.7Å; K113-F115 HydrophobicContact CB-CZ 4.18Å; K113-F115 HydrophobicContact CG-CE2 4.37Å; K113-F115 HydrophobicContact CG-CZ 4.43Å; K113-F115 WeakPolarHBondContact O-CD2 3.41Å; K113-F115 VanDerWaalsContact O-CE2 3.32Å; K113-F115 WeakPolarHBondContact O-CE2 3.5Å; K113-F115 PolarHBondContact O-N 3.14Å; F115-A118 WeakPolarHBondContact O-CB 3.21Å; F115-A118 PolarHBondContact O-N 3.03Å; F115-Q119 WeakPolarHBondContact O-CG 3.47Å; F115-Q119 PolarHBondContact O-N 3.2Å; F115-Q147 HydrophobicContact CB-CG 4.49Å; F115-Q147 HydrophobicContact CD1-CG 3.79Å; F115-Q147 HydrophobicContact CD2-CG 4.18Å; F115-Q147 HydrophobicContact CE1-CG 3.97Å; F115-Q147 HydrophobicContact CE2-CG 4.35Å; F115-Q147 HydrophobicContact CG-CG 3.89Å; F115-Q147 HydrophobicContact CZ-CG 4.24Å
116	A	91.1	Very high	92.4	Very high	61 Å²	61	56.9 Å²	56.9	50%	0.504	31%	0.308	S	S	.	.	H	α-helix	trans	-66.2	-43.6	175.8	0	0	0	0	0	111.3	D114 A118 Q119 N120	D114-A116 VanDerWaalsContact C-N 3.33Å; D114-A116 PolarHBondContact O-N 3.2Å; A116-A118 VanDerWaalsContact C-N 3.33Å; A116-A118 PolarHBondContact O-N 3.45Å; A116-Q119 PolarHBondContact O-N 3.27Å; A116-N120 PolarHBondContact O-N 3.19Å; A116-N120 PolarHBondContact O-ND2 2.9Å
117	G	93.1	Very high	92.1	Very high	13 Å²	13	58.5 Å²	58.5	13%	0.134	32%	0.319	C	S	.	.	H	α-helix	trans	-59.7	-42.4	172.3	0	0	0	0	0	112.4	D114 N120 L121	D114-G117 PolarHBondContact O-N 3.23Å; D114-G117 WeakPolarHBondContact OD1-CA 3.48Å; D114-G117 PolarHBondContact OD1-N 3.37Å; G117-N120 PolarHBondContact O-N 3.37Å; G117-L121 WeakPolarHBondContact O-CG 3.46Å; G117-L121 PolarHBondContact O-N 3.28Å; G117-L121 VanDerWaalsContact O-N 3.16Å
118	A	94.4	Very high	91.8	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-61.2	-47.2	175.1	0	0	0	0	0	112.1	V106 K109 L110 D114 F115 A116 N120 L121 L122	V106-A118 HydrophobicContact CG1-CB 4.02Å; K109-A118 HydrophobicContact CB-CB 3.92Å; L110-A118 HydrophobicContact CD2-CB 3.66Å; L110-A118 HydrophobicContact CG-CB 3.81Å; D114-A118 PolarHBondContact O-N 3.31Å; F115-A118 WeakPolarHBondContact O-CB 3.21Å; F115-A118 PolarHBondContact O-N 3.03Å; A116-A118 VanDerWaalsContact C-N 3.33Å; A116-A118 PolarHBondContact O-N 3.45Å; A118-N120 PolarHBondContact O-N 3.04Å; A118-L121 PolarHBondContact O-N 3.11Å; A118-L122 WeakPolarHBondContact O-CB 3.42Å; A118-L122 WeakPolarHBondContact O-CG 3.5Å; A118-L122 PolarHBondContact O-N 3.02Å
119	Q	91.7	Very high	91.5	Very high	98 Å²	98	65.9 Å²	65.9	46%	0.458	37%	0.371	S	S	.	.	H	α-helix	trans	-60.4	-42.9	177.4	-72.4	-177.7	0.5	0	0	112.4	F115 A116 L121 L122 A123 A145	F115-Q119 WeakPolarHBondContact O-CG 3.47Å; F115-Q119 PolarHBondContact O-N 3.2Å; A116-Q119 PolarHBondContact O-N 3.27Å; Q119-L121 VanDerWaalsContact C-N 3.28Å; Q119-L121 PolarHBondContact O-N 3.39Å; Q119-L122 PolarHBondContact O-N 3.38Å; Q119-A123 WeakPolarHBondContact O-CB 3.33Å; Q119-A123 PolarHBondContact O-N 3.02Å; Q119-A145 HydrophobicContact CG-CB 3.81Å; Q119-A145 PolarHBondContact NE2-O 3.27Å
120	N	92.9	Very high	91.1	Very high	110 Å²	110	63.5 Å²	63.5	59%	0.588	36%	0.361	S	S	*	.	H	α-helix	trans	-63.1	-33.1	177.8	-75.8	-28.6	0	0	0	113.1	A116 G117 A118	A116-N120 PolarHBondContact O-N 3.19Å; A116-N120 PolarHBondContact O-ND2 2.9Å; G117-N120 PolarHBondContact O-N 3.37Å; A118-N120 PolarHBondContact O-N 3.04Å
121	L	93.4	Very high	90.7	Very high	44 Å²	44	66.5 Å²	66.5	23%	0.23	37%	0.374	C	S	.	.	H	α-helix	trans	-75.8	-43.7	174.3	-70.4	174.9	0	0	0	111.2	A105 V106 K109 G117 A118 Q119 A123 K124	A105-L121 HydrophobicContact CB-CD1 3.95Å; V106-L121 HydrophobicContact CG2-CB 3.64Å; V106-L121 HydrophobicContact CG2-CD1 4.39Å; K109-L121 HydrophobicContact CG-CD1 3.98Å; G117-L121 WeakPolarHBondContact O-CG 3.46Å; G117-L121 PolarHBondContact O-N 3.28Å; G117-L121 VanDerWaalsContact O-N 3.16Å; A118-L121 PolarHBondContact O-N 3.11Å; Q119-L121 VanDerWaalsContact C-N 3.28Å; Q119-L121 PolarHBondContact O-N 3.39Å; L121-A123 VanDerWaalsContact C-N 3.28Å; L121-A123 PolarHBondContact O-N 3.18Å; L121-K124 WeakPolarHBondContact O-CB 3.48Å; L121-K124 PolarHBondContact O-N 3.46Å; L121-K124 VanDerWaalsContact O-N 3.11Å
122	L	93.3	Very high	90.5	Very high	3 Å²	3	71 Å²	71	2%	0.016	39%	0.388	C	S	.	.	H	α-helix	trans	-60.1	-36.3	177.5	-76.4	161.9	0	0	0	112.7	V106 A118 Q119 K124 I125 Y138 A141 K142 A145	V106-L122 HydrophobicContact CB-CG 4.43Å; V106-L122 HydrophobicContact CG1-CD1 3.71Å; V106-L122 HydrophobicContact CG1-CD2 3.89Å; V106-L122 HydrophobicContact CG1-CG 3.59Å; V106-L122 HydrophobicContact CG2-CD2 4.13Å; V106-L122 HydrophobicContact CG2-CG 3.93Å; A118-L122 WeakPolarHBondContact O-CB 3.42Å; A118-L122 WeakPolarHBondContact O-CG 3.5Å; A118-L122 PolarHBondContact O-N 3.02Å; Q119-L122 PolarHBondContact O-N 3.38Å; L122-K124 PolarHBondContact O-N 3.35Å; L122-I125 PolarHBondContact O-N 3.38Å; L122-I125 VanDerWaalsContact O-N 3.14Å; L122-Y138 HydrophobicContact CB-CE2 4.27Å; L122-Y138 HydrophobicContact CD2-CD2 3.45Å; L122-Y138 VanDerWaalsContact CD2-CD2 3.45Å; L122-Y138 HydrophobicContact CD2-CE2 3.45Å; L122-Y138 VanDerWaalsContact CD2-CE2 3.45Å; L122-Y138 HydrophobicContact CD2-CG 4.34Å; L122-Y138 HydrophobicContact CG-CE2 4.5Å; L122-Y138 PolarHBondContact O-OH 2.81Å; L122-A141 HydrophobicContact CD1-CB 4.27Å; L122-A141 HydrophobicContact CD2-CB 4.06Å; L122-K142 HydrophobicContact CD1-CG 4.23Å; L122-K142 HydrophobicContact CD2-CG 4.47Å; L122-A145 HydrophobicContact CD1-CB 4.08Å
123	A	91	Very high	90.1	Very high	85 Å²	85	69.4 Å²	69.4	70%	0.702	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.7	177.8	0	0	0	0	0	113.8	Q119 L121	Q119-A123 WeakPolarHBondContact O-CB 3.33Å; Q119-A123 PolarHBondContact O-N 3.02Å; L121-A123 VanDerWaalsContact C-N 3.28Å; L121-A123 PolarHBondContact O-N 3.18Å
124	K	90.3	Very high	90	Very high	166 Å²	166	63 Å²	63	72%	0.722	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-6.8	178.6	-59.8	176.6	-175.1	-178.6	0	113.2	L121 L122	L121-K124 WeakPolarHBondContact O-CB 3.48Å; L121-K124 PolarHBondContact O-N 3.46Å; L121-K124 VanDerWaalsContact O-N 3.11Å; L122-K124 PolarHBondContact O-N 3.35Å
125	I	91.7	Very high	89.9	Confident	22 Å²	22	62.7 Å²	62.7	11%	0.113	35%	0.352	C	S	.	.			trans	-100.9	124.6	-177.1	-56.2	171.8	0	0	0	108.7	T102 V106 L122 P127 L130 Y138	T102-I125 HydrophobicContact CG2-CD1 3.8Å; T102-I125 HydrophobicContact CG2-CG1 3.83Å; V106-I125 HydrophobicContact CG2-CD1 4.31Å; L122-I125 PolarHBondContact O-N 3.38Å; L122-I125 VanDerWaalsContact O-N 3.14Å; I125-P127 WeakPolarHBondContact O-CD 3.4Å; I125-L130 HydrophobicContact CG2-CD1 3.83Å; I125-L130 HydrophobicContact CG2-CD2 4.1Å; I125-L130 HydrophobicContact CG2-CG 4.16Å; I125-Y138 HydrophobicContact CB-CD2 4.15Å; I125-Y138 HydrophobicContact CB-CE2 3.83Å; I125-Y138 HydrophobicContact CD1-CD2 4.25Å; I125-Y138 HydrophobicContact CD1-CE2 4.45Å; I125-Y138 HydrophobicContact CG2-CD2 3.94Å; I125-Y138 HydrophobicContact CG2-CE2 4.04Å
126	T	90.4	Very high	89.7	Confident	79 Å²	79	61.3 Å²	61.3	49%	0.485	35%	0.35	S	S	.	.			trans	-86.6	112.1	170.5	-54.4	0	0	0	0	108.8	A128 D129	T126-A128 HydrophobicContact CG2-CB 4.29Å; T126-A128 PolarHBondContact O-N 3.03Å; T126-D129 WeakPolarHBondContact CB-OD2 3.46Å; T126-D129 PolarHBondContact O-N 2.73Å; T126-D129 VanDerWaalsContact O-N 3.14Å
127	P	89.3	Confident	89.7	Confident	34 Å²	34	59.6 Å²	59.6	22%	0.221	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-63.5	-26.4	-174.5	22.9	-32.8	0	0	0	113.6	I125 D129 L130 Q135 Y138 W139	I125-P127 WeakPolarHBondContact O-CD 3.4Å; P127-D129 PolarHBondContact O-N 3.13Å; P127-L130 WeakPolarHBondContact O-CB 3.43Å; P127-L130 PolarHBondContact O-N 3.11Å; P127-Q135 WeakPolarHBondContact O-CG 3.38Å; P127-Q135 PolarHBondContact O-NE2 3.41Å; P127-Y138 HydrophobicContact CB-CD1 3.89Å; P127-Y138 HydrophobicContact CB-CE1 3.84Å; P127-Y138 HydrophobicContact CG-CE1 4.06Å; P127-W139 HydrophobicContact CB-CZ2 4.03Å; P127-W139 HydrophobicContact CG-CH2 4.33Å; P127-W139 HydrophobicContact CG-CZ2 3.95Å
128	A	87.6	Confident	89.7	Confident	82 Å²	82	59.5 Å²	59.5	68%	0.678	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-65.1	-22.7	177.8	0	0	0	0	0	113.7	T126 L130	T126-A128 HydrophobicContact CG2-CB 4.29Å; T126-A128 PolarHBondContact O-N 3.03Å; A128-L130 VanDerWaalsContact C-N 3.31Å
129	D	87.2	Confident	89.7	Confident	110 Å²	110	61.4 Å²	61.4	59%	0.588	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-86.9	-3.6	179.6	-59.5	-26.3	0	0	0	112.7	T126 P127	T126-D129 WeakPolarHBondContact CB-OD2 3.46Å; T126-D129 PolarHBondContact O-N 2.73Å; T126-D129 VanDerWaalsContact O-N 3.14Å; P127-D129 PolarHBondContact O-N 3.13Å
130	L	87.3	Confident	89.7	Confident	14 Å²	14	60.4 Å²	60.4	7%	0.073	33%	0.329	C	S	.	.	S	Bend	trans	-94.4	149.4	-178.6	-59.1	-177.4	0	0	0	111.4	R99 I125 P127 A128 Q134 Q135 Y138	R99-L130 HydrophobicContact CB-CD2 4.35Å; R99-L130 HydrophobicContact CG-CD2 4.39Å; I125-L130 HydrophobicContact CG2-CD1 3.83Å; I125-L130 HydrophobicContact CG2-CD2 4.1Å; I125-L130 HydrophobicContact CG2-CG 4.16Å; P127-L130 WeakPolarHBondContact O-CB 3.43Å; P127-L130 PolarHBondContact O-N 3.11Å; A128-L130 VanDerWaalsContact C-N 3.31Å; L130-Q134 HydrophobicContact CB-CB 3.9Å; L130-Q134 HydrophobicContact CD1-CB 4.37Å; L130-Q134 HydrophobicContact CD2-CB 4.48Å; L130-Q134 HydrophobicContact CG-CB 4.49Å; L130-Q135 HydrophobicContact CB-CG 3.76Å; L130-Q135 PolarHBondContact O-NE2 3.03Å; L130-Y138 HydrophobicContact CD1-CD2 4.33Å; L130-Y138 HydrophobicContact CD1-CG 4.12Å
131	E	84.9	Confident	89.7	Confident	86 Å²	86	55.3 Å²	55.3	40%	0.402	30%	0.302	S	S	.	.			trans	-67.7	159.6	168.5	-66.4	-177.2	177.4	0	0	111.5	N133 Q134 Q135	E131-N133 VanDerWaalsContact C-N 3.3Å; E131-N133 PolarHBondContact O-N 3.26Å; E131-N133 VanDerWaalsContact O-N 3.16Å; E131-Q134 CarbonylContact O-C 3.54Å; E131-Q134 WeakPolarHBondContact O-CA 3.36Å; E131-Q134 WeakPolarHBondContact O-CB 3.45Å; E131-Q134 PolarHBondContact O-N 2.88Å; E131-Q135 WeakPolarHBondContact O-CG 3.39Å; E131-Q135 PolarHBondContact O-N 3.22Å
132	Q	85	Confident	89.7	Confident	135 Å²	135	55.4 Å²	55.4	63%	0.631	30%	0.301	S	S	*	.	H	α-helix	trans	-54.9	-40.4	-173.6	-160.8	175.6	12.9	0	0	113.9	Q135 A136 L164	Q132-Q135 PolarHBondContact O-N 3.37Å; Q132-A136 PolarHBondContact O-N 3.09Å; Q132-A136 VanDerWaalsContact O-N 3.14Å; Q132-L164 HydrophobicContact CG-CD2 3.7Å
133	N	82.6	Confident	89.7	Confident	59 Å²	59	56.4 Å²	56.4	32%	0.316	31%	0.306	S	S	.	.	H	α-helix	trans	-66.3	-39.9	175.8	-172.9	-82.8	0	0	0	112.2	Q40 E131 A136 R137	Q40-N133 WeakPolarHBondContact O-CB 3.26Å; E131-N133 VanDerWaalsContact C-N 3.3Å; E131-N133 PolarHBondContact O-N 3.26Å; E131-N133 VanDerWaalsContact O-N 3.16Å; N133-A136 PolarHBondContact O-N 2.96Å; N133-R137 PolarHBondContact O-N 3.25Å
134	Q	87.8	Confident	89.7	Confident	13 Å²	13	55.9 Å²	55.9	6%	0.061	29%	0.291	C	S	.	.	H	α-helix	trans	-70.2	-35.6	177.4	-68.7	-178.7	-29.4	0	0	111.6	E100 L103 L130 E131 R137 Y138	E100-Q134 PolarHBondContact OE2-NE2 3.12Å; E100-Q134 VanDerWaalsContact OE2-NE2 3.09Å; L103-Q134 HydrophobicContact CD2-CB 4.29Å; L130-Q134 HydrophobicContact CB-CB 3.9Å; L130-Q134 HydrophobicContact CD1-CB 4.37Å; L130-Q134 HydrophobicContact CD2-CB 4.48Å; L130-Q134 HydrophobicContact CG-CB 4.49Å; E131-Q134 CarbonylContact O-C 3.54Å; E131-Q134 WeakPolarHBondContact O-CA 3.36Å; E131-Q134 WeakPolarHBondContact O-CB 3.45Å; E131-Q134 PolarHBondContact O-N 2.88Å; Q134-R137 PolarHBondContact O-N 3.22Å; Q134-Y138 WeakPolarHBondContact O-CB 3.11Å; Q134-Y138 PolarHBondContact O-N 2.96Å
135	Q	91.2	Very high	89.8	Confident	49 Å²	49	48.1 Å²	48.1	23%	0.229	26%	0.258	C	S	.	.	H	α-helix	trans	-60.4	-45.7	172.3	-69.5	-178.7	13.6	0	0	111.3	P127 L130 E131 Q132 R137 Y138 W139 L164	P127-Q135 WeakPolarHBondContact O-CG 3.38Å; P127-Q135 PolarHBondContact O-NE2 3.41Å; L130-Q135 HydrophobicContact CB-CG 3.76Å; L130-Q135 PolarHBondContact O-NE2 3.03Å; E131-Q135 WeakPolarHBondContact O-CG 3.39Å; E131-Q135 PolarHBondContact O-N 3.22Å; Q132-Q135 PolarHBondContact O-N 3.37Å; Q135-R137 VanDerWaalsContact C-N 3.29Å; Q135-R137 PolarHBondContact O-N 2.95Å; Q135-Y138 WeakPolarHBondContact O-CB 3.27Å; Q135-Y138 PolarHBondContact O-N 3.44Å; Q135-W139 PolarHBondContact O-N 3.24Å; Q135-L164 HydrophobicContact CB-CD1 3.73Å
136	A	88.2	Confident	89.7	Confident	25 Å²	25	47.5 Å²	47.5	21%	0.207	26%	0.256	C	S	.	.	H	α-helix	trans	-60	-41	178.4	0	0	0	0	0	112	Q132 N133 Q140 Q161 L164	Q132-A136 PolarHBondContact O-N 3.09Å; Q132-A136 VanDerWaalsContact O-N 3.14Å; N133-A136 PolarHBondContact O-N 2.96Å; A136-Q140 WeakPolarHBondContact O-CB 3.32Å; A136-Q140 PolarHBondContact O-N 2.8Å; A136-Q161 PolarHBondContact O-NE2 3.37Å; A136-L164 HydrophobicContact CB-CB 4.28Å; A136-L164 HydrophobicContact CB-CD1 4.2Å
137	R	90.3	Very high	89.5	Confident	24 Å²	24	48.1 Å²	48.1	9%	0.091	25%	0.253	C	S	.	.	H	α-helix	trans	-69.1	-40.2	175.2	-73.9	173.8	63	-153.1	5.7	113	R71 E100 L103 E107 N133 Q134 Q135 Q140 A141	R71-R137 VanDerWaalsContact CZ-NH1 3.26Å; E100-R137 VanDerWaalsContact CD-NH1 3.25Å; E100-R137 IonicContact OE1-CZ 2.67Å; E100-R137 IonicContact OE1-NH1 3.67Å; E100-R137 PolarHBondContact OE1-NH1 3.01Å; E100-R137 IonicContact OE1-NH2 2.71Å; E100-R137 PolarHBondContact OE1-NH2 2.77Å; E100-R137 VanDerWaalsContact OE1-NH2 3.1Å; E100-R137 IonicContact OE2-NH1 3.94Å; E100-R137 PolarHBondContact OE2-NH1 3.06Å; L103-R137 HydrophobicContact CD2-CB 3.73Å; L103-R137 HydrophobicContact CG-CB 4.46Å; E107-R137 IonicContact OE1-CZ 3.39Å; E107-R137 IonicContact OE1-NE 3.62Å; E107-R137 PolarHBondContact OE1-NE 3.03Å; E107-R137 IonicContact OE1-NH2 2.87Å; E107-R137 PolarHBondContact OE1-NH2 3.08Å; E107-R137 IonicContact OE2-CZ 2.84Å; E107-R137 IonicContact OE2-NH2 3.29Å; E107-R137 PolarHBondContact OE2-NH2 3.2Å; N133-R137 PolarHBondContact O-N 3.25Å; Q134-R137 PolarHBondContact O-N 3.22Å; Q135-R137 VanDerWaalsContact C-N 3.29Å; Q135-R137 PolarHBondContact O-N 2.95Å; R137-Q140 PolarHBondContact O-N 3.28Å; R137-A141 WeakPolarHBondContact O-CB 3.39Å; R137-A141 PolarHBondContact O-N 3.02Å
138	Y	94.3	Very high	89	Confident	12 Å²	12	49.2 Å²	49.2	5%	0.047	27%	0.27	C	S	.	.	H	α-helix	trans	-58.3	-48	174.4	169.8	-92.2	0	0	0	111.2	L122 I125 P127 L130 Q134 Q135 A141 K142	L122-Y138 HydrophobicContact CB-CE2 4.27Å; L122-Y138 HydrophobicContact CD2-CD2 3.45Å; L122-Y138 VanDerWaalsContact CD2-CD2 3.45Å; L122-Y138 HydrophobicContact CD2-CE2 3.45Å; L122-Y138 VanDerWaalsContact CD2-CE2 3.45Å; L122-Y138 HydrophobicContact CD2-CG 4.34Å; L122-Y138 HydrophobicContact CG-CE2 4.5Å; L122-Y138 PolarHBondContact O-OH 2.81Å; I125-Y138 HydrophobicContact CB-CD2 4.15Å; I125-Y138 HydrophobicContact CB-CE2 3.83Å; I125-Y138 HydrophobicContact CD1-CD2 4.25Å; I125-Y138 HydrophobicContact CD1-CE2 4.45Å; I125-Y138 HydrophobicContact CG2-CD2 3.94Å; I125-Y138 HydrophobicContact CG2-CE2 4.04Å; P127-Y138 HydrophobicContact CB-CD1 3.89Å; P127-Y138 HydrophobicContact CB-CE1 3.84Å; P127-Y138 HydrophobicContact CG-CE1 4.06Å; L130-Y138 HydrophobicContact CD1-CD2 4.33Å; L130-Y138 HydrophobicContact CD1-CG 4.12Å; Q134-Y138 WeakPolarHBondContact O-CB 3.11Å; Q134-Y138 PolarHBondContact O-N 2.96Å; Q135-Y138 WeakPolarHBondContact O-CB 3.27Å; Q135-Y138 PolarHBondContact O-N 3.44Å; Y138-A141 PolarHBondContact O-N 3.13Å; Y138-K142 HydrophobicContact CE1-CG 4.23Å; Y138-K142 PolarHBondContact O-N 3.39Å
139	W	93.9	Very high	88.8	Confident	39 Å²	39	53.3 Å²	53.3	15%	0.148	27%	0.268	C	S	.	.	H	α-helix	trans	-67.4	-39.6	178.6	-67.4	123.8	0	0	0	112.2	P127 Q135 A141 K142 I143 A157 A160 Q161	P127-W139 HydrophobicContact CB-CZ2 4.03Å; P127-W139 HydrophobicContact CG-CH2 4.33Å; P127-W139 HydrophobicContact CG-CZ2 3.95Å; Q135-W139 PolarHBondContact O-N 3.24Å; W139-A141 VanDerWaalsContact C-N 3.29Å; W139-A141 PolarHBondContact O-N 3.03Å; W139-K142 HydrophobicContact CE3-CB 4.34Å; W139-K142 HydrophobicContact CE3-CG 4.36Å; W139-K142 HydrophobicContact CZ3-CD 4.45Å; W139-K142 WeakPolarHBondContact O-CB 3.32Å; W139-K142 PolarHBondContact O-N 2.77Å; W139-I143 WeakPolarHBondContact O-CD1 3.48Å; W139-I143 VanDerWaalsContact O-CG1 3.27Å; W139-I143 WeakPolarHBondContact O-CG1 3.31Å; W139-I143 PolarHBondContact O-N 2.76Å; W139-A157 HydrophobicContact CE3-CB 3.71Å; W139-A157 HydrophobicContact CZ3-CB 4.17Å; W139-A160 HydrophobicContact CD2-CB 3.79Å; W139-A160 HydrophobicContact CE3-CB 4.21Å; W139-A160 HydrophobicContact CG-CB 4.36Å; W139-A160 HydrophobicContact CH2-CB 3.89Å; W139-A160 HydrophobicContact CZ2-CB 3.45Å; W139-A160 VanDerWaalsContact CZ2-CB 3.45Å; W139-A160 HydrophobicContact CZ3-CB 4.24Å; W139-Q161 HydrophobicContact CB-CB 3.86Å; W139-Q161 HydrophobicContact CB-CG 4.01Å; W139-Q161 HydrophobicContact CG-CB 4.43Å
140	Q	91.5	Very high	88.6	Confident	78 Å²	78	50.1 Å²	50.1	36%	0.364	25%	0.254	S	S	.	.	H	α-helix	trans	-57.6	-44.5	172	-170.2	60.3	50.8	0	0	111.5	A136 R137 K142 I143 D144	A136-Q140 WeakPolarHBondContact O-CB 3.32Å; A136-Q140 PolarHBondContact O-N 2.8Å; R137-Q140 PolarHBondContact O-N 3.28Å; Q140-K142 PolarHBondContact O-N 3.46Å; Q140-I143 WeakPolarHBondContact O-CB 3.36Å; Q140-I143 PolarHBondContact O-N 3.38Å; Q140-I143 VanDerWaalsContact O-N 3.16Å; Q140-D144 PolarHBondContact NE2-OD1 3.36Å; Q140-D144 VanDerWaalsContact O-CG 3.25Å; Q140-D144 PolarHBondContact O-N 3.14Å
141	A	93.4	Very high	88.6	Confident	3 Å²	3	51.1 Å²	51.1	3%	0.025	26%	0.262	C	S	.	.	H	α-helix	trans	-65.2	-37	177.9	0	0	0	0	0	112.7	V106 L110 L122 R137 Y138 W139 A145	V106-A141 HydrophobicContact CG1-CB 3.75Å; L110-A141 HydrophobicContact CD1-CB 3.73Å; L122-A141 HydrophobicContact CD1-CB 4.27Å; L122-A141 HydrophobicContact CD2-CB 4.06Å; R137-A141 WeakPolarHBondContact O-CB 3.39Å; R137-A141 PolarHBondContact O-N 3.02Å; Y138-A141 PolarHBondContact O-N 3.13Å; W139-A141 VanDerWaalsContact C-N 3.29Å; W139-A141 PolarHBondContact O-N 3.03Å; A141-A145 WeakPolarHBondContact O-CB 3.25Å; A141-A145 PolarHBondContact O-N 2.88Å
142	K	93.7	Very high	88.7	Confident	46 Å²	46	48.6 Å²	48.6	20%	0.2	25%	0.251	C	S	.	.	H	α-helix	trans	-61.2	-41.5	170.4	-97.7	-108.6	-177.1	175.2	0	111.9	L122 Y138 W139 Q140 S146 D153 A157	L122-K142 HydrophobicContact CD1-CG 4.23Å; L122-K142 HydrophobicContact CD2-CG 4.47Å; Y138-K142 HydrophobicContact CE1-CG 4.23Å; Y138-K142 PolarHBondContact O-N 3.39Å; W139-K142 HydrophobicContact CE3-CB 4.34Å; W139-K142 HydrophobicContact CE3-CG 4.36Å; W139-K142 HydrophobicContact CZ3-CD 4.45Å; W139-K142 WeakPolarHBondContact O-CB 3.32Å; W139-K142 PolarHBondContact O-N 2.77Å; Q140-K142 PolarHBondContact O-N 3.46Å; K142-S146 PolarHBondContact O-N 3.19Å; K142-S146 PolarHBondContact O-OG 2.84Å; K142-D153 IonicContact NZ-OD1 3.24Å; K142-D153 PolarHBondContact NZ-OD1 3.22Å; K142-A157 HydrophobicContact CB-CB 3.82Å
143	I	92.7	Very high	88.8	Confident	24 Å²	24	45.7 Å²	45.7	12%	0.123	24%	0.24	C	C	.	.	H	α-helix	trans	-65	-50.5	177.7	-67.9	158	0	0	0	110.2	W139 Q140 A145 S146 L154 A157 L158	W139-I143 WeakPolarHBondContact O-CD1 3.48Å; W139-I143 VanDerWaalsContact O-CG1 3.27Å; W139-I143 WeakPolarHBondContact O-CG1 3.31Å; W139-I143 PolarHBondContact O-N 2.76Å; Q140-I143 WeakPolarHBondContact O-CB 3.36Å; Q140-I143 PolarHBondContact O-N 3.38Å; Q140-I143 VanDerWaalsContact O-N 3.16Å; I143-A145 VanDerWaalsContact C-N 3.32Å; I143-A145 PolarHBondContact O-N 2.88Å; I143-S146 WeakPolarHBondContact O-CB 3.32Å; I143-S146 PolarHBondContact O-N 3.39Å; I143-L154 HydrophobicContact CB-CD1 4.23Å; I143-L154 HydrophobicContact CG1-CD1 4.13Å; I143-L154 HydrophobicContact CG2-CD1 3.96Å; I143-A157 HydrophobicContact CG1-CB 3.86Å; I143-L158 HydrophobicContact CD1-CD2 3.59Å; I143-L158 HydrophobicContact CD1-CG 4.18Å; I143-L158 HydrophobicContact CG1-CD2 3.88Å; I143-L158 HydrophobicContact CG1-CG 4.11Å; I143-L158 HydrophobicContact CG2-CD2 4.3Å
144	D	90.9	Very high	89.2	Confident	73 Å²	73	43.3 Å²	43.3	39%	0.39	23%	0.227	S	C	.	.	H	α-helix	trans	-62.3	-40.5	179	-65.5	-9.4	0	0	0	111.4	L110 Q140 S146 Q147	L110-D144 HydrophobicContact CD1-CB 3.96Å; L110-D144 HydrophobicContact CD2-CB 4.2Å; Q140-D144 PolarHBondContact NE2-OD1 3.36Å; Q140-D144 VanDerWaalsContact O-CG 3.25Å; Q140-D144 PolarHBondContact O-N 3.14Å; D144-S146 PolarHBondContact O-N 3.11Å; D144-Q147 PolarHBondContact O-N 2.81Å; D144-Q147 VanDerWaalsContact O-N 3.08Å
145	A	92.2	Very high	89.4	Confident	3 Å²	3	42.7 Å²	42.7	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-24	175.4	0	0	0	0	0	113.5	L110 Q119 L122 A141 I143 Q147	L110-A145 HydrophobicContact CD2-CB 3.93Å; Q119-A145 HydrophobicContact CG-CB 3.81Å; Q119-A145 PolarHBondContact NE2-O 3.27Å; L122-A145 HydrophobicContact CD1-CB 4.08Å; A141-A145 WeakPolarHBondContact O-CB 3.25Å; A141-A145 PolarHBondContact O-N 2.88Å; I143-A145 VanDerWaalsContact C-N 3.32Å; I143-A145 PolarHBondContact O-N 2.88Å; A145-Q147 VanDerWaalsContact C-N 3.31Å
146	S	89.5	Confident	89.4	Confident	10 Å²	10	43.6 Å²	43.6	7%	0.07	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-12.1	177.8	-57.1	0	0	0	0	112.5	K142 I143 D144 G148 R149	K142-S146 PolarHBondContact O-N 3.19Å; K142-S146 PolarHBondContact O-OG 2.84Å; I143-S146 WeakPolarHBondContact O-CB 3.32Å; I143-S146 PolarHBondContact O-N 3.39Å; D144-S146 PolarHBondContact O-N 3.11Å; S146-G148 PolarHBondContact O-N 3.41Å; S146-G148 VanDerWaalsContact O-N 3.13Å; S146-R149 VanDerWaalsContact O-CB 3.26Å; S146-R149 WeakPolarHBondContact O-CB 3.44Å; S146-R149 WeakPolarHBondContact O-CG 3.34Å; S146-R149 PolarHBondContact O-N 2.88Å
147	Q	86.7	Confident	89.7	Confident	91 Å²	91	42.4 Å²	42.4	43%	0.425	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	27.8	178.9	-50.4	-175.3	-52.8	0	0	114.5	F115 D144 A145 R149	F115-Q147 HydrophobicContact CB-CG 4.49Å; F115-Q147 HydrophobicContact CD1-CG 3.79Å; F115-Q147 HydrophobicContact CD2-CG 4.18Å; F115-Q147 HydrophobicContact CE1-CG 3.97Å; F115-Q147 HydrophobicContact CE2-CG 4.35Å; F115-Q147 HydrophobicContact CG-CG 3.89Å; F115-Q147 HydrophobicContact CZ-CG 4.24Å; D144-Q147 PolarHBondContact O-N 2.81Å; D144-Q147 VanDerWaalsContact O-N 3.08Å; A145-Q147 VanDerWaalsContact C-N 3.31Å; Q147-R149 HydrophobicContact CB-CG 4.49Å; Q147-R149 PolarHBondContact O-N 2.9Å
148	G	79.1	Confident	89.8	Confident	57 Å²	57	41.6 Å²	41.6	59%	0.588	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.4	8.8	-173	0	0	0	0	0	114.5	S146 P150	S146-G148 PolarHBondContact O-N 3.41Å; S146-G148 VanDerWaalsContact O-N 3.13Å; G148-P150 WeakPolarHBondContact O-CD 3.33Å
149	R	82.5	Confident	89.8	Confident	168 Å²	168	42.7 Å²	42.7	63%	0.634	22%	0.219	S	C	*	.			trans	-69.9	122.4	174.6	-64.7	-176.5	-174	-166	1.1	109.1	S146 Q147 S151 L154	S146-R149 VanDerWaalsContact O-CB 3.26Å; S146-R149 WeakPolarHBondContact O-CB 3.44Å; S146-R149 WeakPolarHBondContact O-CG 3.34Å; S146-R149 PolarHBondContact O-N 2.88Å; Q147-R149 HydrophobicContact CB-CG 4.49Å; Q147-R149 PolarHBondContact O-N 2.9Å; R149-S151 PolarHBondContact O-N 3.49Å; R149-S151 VanDerWaalsContact O-N 3.1Å; R149-S151 PolarHBondContact O-OG 3.23Å; R149-L154 WeakPolarHBondContact O-CD2 3.28Å
150	P	83.5	Confident	89.7	Confident	44 Å²	44	42.5 Å²	42.5	29%	0.286	23%	0.226	S	C	.	.			trans	-60.6	117.4	179.4	-23.9	36.1	0	0	0	110.6	G148 S183 M184	G148-P150 WeakPolarHBondContact O-CD 3.33Å; P150-S183 WeakPolarHBondContact CG-OG 3.5Å; P150-M184 HydrophobicContact CB-CB 4.46Å; P150-M184 HydrophobicContact CB-CG 3.31Å; P150-M184 HydrophobicContact CB-SD 4.32Å; P150-M184 HydrophobicContact CG-CG 4.47Å
151	S	85.9	Confident	89.8	Confident	35 Å²	35	39.3 Å²	39.3	25%	0.245	21%	0.211	C	C	.	.			trans	-155.4	157.8	-176.7	61.1	0	0	0	0	110.3	R149 D153 L154 L155	R149-S151 PolarHBondContact O-N 3.49Å; R149-S151 VanDerWaalsContact O-N 3.1Å; R149-S151 PolarHBondContact O-OG 3.23Å; S151-D153 PolarHBondContact O-N 2.77Å; S151-L154 PolarHBondContact O-N 3.47Å; S151-L154 WeakPolarHBondContact OG-CB 3.34Å; S151-L154 PolarHBondContact OG-N 3.26Å; S151-L155 WeakPolarHBondContact O-CG 3.39Å; S151-L155 PolarHBondContact O-N 2.87Å; S151-L155 VanDerWaalsContact O-N 3.09Å
152	I	87.5	Confident	89.8	Confident	32 Å²	32	40.5 Å²	40.5	16%	0.164	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-34.6	176.7	-162.6	167.2	0	0	0	112.3	L155 R156 L192 V193 L201	I152-L155 PolarHBondContact O-N 2.75Å; I152-R156 HydrophobicContact CG1-CG 4.46Å; I152-R156 WeakPolarHBondContact O-CB 3.2Å; I152-R156 WeakPolarHBondContact O-CG 3.27Å; I152-R156 PolarHBondContact O-N 3.35Å; I152-L192 HydrophobicContact CB-CD2 3.79Å; I152-L192 HydrophobicContact CD1-CB 4.1Å; I152-L192 HydrophobicContact CD1-CD2 4.29Å; I152-L192 HydrophobicContact CG1-CD2 4.37Å; I152-V193 VanDerWaalsContact CD1-O 3.23Å; I152-V193 WeakPolarHBondContact CD1-O 3.47Å; I152-L201 HydrophobicContact CG1-CD2 4.42Å
153	D	86.9	Confident	89.7	Confident	75 Å²	75	42.3 Å²	42.3	40%	0.401	23%	0.233	S	C	.	.	H	α-helix	trans	-63.4	-41.7	176.5	-82.3	-61.9	0	0	0	111.9	K142 S151 A157	K142-D153 IonicContact NZ-OD1 3.24Å; K142-D153 PolarHBondContact NZ-OD1 3.22Å; S151-D153 PolarHBondContact O-N 2.77Å; D153-A157 VanDerWaalsContact O-CB 3.3Å; D153-A157 WeakPolarHBondContact O-CB 3.22Å; D153-A157 PolarHBondContact O-N 3.26Å
154	L	91.7	Very high	89.5	Confident	8 Å²	8	43.2 Å²	43.2	4%	0.042	24%	0.237	C	C	.	.	H	α-helix	trans	-63.7	-46.9	175.1	176.7	58.5	0	0	0	111.1	I143 R149 S151 R156 A157 L158 A180	I143-L154 HydrophobicContact CB-CD1 4.23Å; I143-L154 HydrophobicContact CG1-CD1 4.13Å; I143-L154 HydrophobicContact CG2-CD1 3.96Å; R149-L154 WeakPolarHBondContact O-CD2 3.28Å; S151-L154 PolarHBondContact O-N 3.47Å; S151-L154 WeakPolarHBondContact OG-CB 3.34Å; S151-L154 PolarHBondContact OG-N 3.26Å; L154-R156 PolarHBondContact O-N 3.45Å; L154-A157 PolarHBondContact O-N 3.37Å; L154-L158 HydrophobicContact CD1-CD1 3.83Å; L154-L158 HydrophobicContact CD1-CG 4.07Å; L154-L158 HydrophobicContact CG-CD1 3.88Å; L154-L158 WeakPolarHBondContact O-CG 3.43Å; L154-L158 PolarHBondContact O-N 3.39Å; L154-A180 HydrophobicContact CD2-CB 3.92Å; L154-A180 HydrophobicContact CG-CB 4.38Å
155	L	92.5	Very high	89.3	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.5	-46	179.4	-66.6	175.2	0	0	0	111.8	S151 I152 A157 L158 I159 T177 A180 L181 M184 L192 L201	S151-L155 WeakPolarHBondContact O-CG 3.39Å; S151-L155 PolarHBondContact O-N 2.87Å; S151-L155 VanDerWaalsContact O-N 3.09Å; I152-L155 PolarHBondContact O-N 2.75Å; L155-A157 VanDerWaalsContact C-N 3.31Å; L155-A157 PolarHBondContact O-N 3.41Å; L155-L158 PolarHBondContact O-N 3.23Å; L155-I159 WeakPolarHBondContact O-CB 3.26Å; L155-I159 VanDerWaalsContact O-CG1 3.24Å; L155-I159 WeakPolarHBondContact O-CG1 3.31Å; L155-I159 PolarHBondContact O-N 2.96Å; L155-T177 HydrophobicContact CD2-CG2 4.44Å; L155-A180 HydrophobicContact CD2-CB 3.71Å; L155-L181 HydrophobicContact CD1-CD2 3.67Å; L155-L181 HydrophobicContact CD1-CG 4.43Å; L155-L181 HydrophobicContact CD2-CD1 4.43Å; L155-L181 HydrophobicContact CD2-CD2 3.83Å; L155-L181 HydrophobicContact CD2-CG 3.65Å; L155-L181 HydrophobicContact CG-CD2 4.42Å; L155-M184 HydrophobicContact CD1-SD 3.89Å; L155-L192 HydrophobicContact CD1-CD1 4.23Å; L155-L201 HydrophobicContact CB-CD1 4.06Å; L155-L201 HydrophobicContact CD1-CD1 4.14Å
156	R	91.5	Very high	89	Confident	69 Å²	69	43 Å²	43	26%	0.26	24%	0.244	S	C	.	.	H	α-helix	trans	-60.5	-41.6	175.5	-76.2	176.1	171.5	148	4.6	111.7	I152 L154 I159 A160 V193 E198	I152-R156 HydrophobicContact CG1-CG 4.46Å; I152-R156 WeakPolarHBondContact O-CB 3.2Å; I152-R156 WeakPolarHBondContact O-CG 3.27Å; I152-R156 PolarHBondContact O-N 3.35Å; L154-R156 PolarHBondContact O-N 3.45Å; R156-I159 PolarHBondContact O-N 3.25Å; R156-A160 VanDerWaalsContact O-CB 3.23Å; R156-A160 WeakPolarHBondContact O-CB 3.23Å; R156-A160 PolarHBondContact O-N 3.46Å; R156-V193 PolarHBondContact NH2-O 3.19Å; R156-E198 IonicContact CZ-OE1 2.73Å; R156-E198 IonicContact CZ-OE2 2.96Å; R156-E198 IonicContact NE-OE1 3.74Å; R156-E198 PolarHBondContact NE-OE1 2.91Å; R156-E198 IonicContact NE-OE2 2.7Å; R156-E198 IonicContact NH2-OE1 3.38Å; R156-E198 IonicContact NH2-OE2 2.77Å; R156-E198 PolarHBondContact NH2-OE2 2.71Å
157	A	93	Very high	88.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.5	-45.3	178.9	0	0	0	0	0	112.5	W139 K142 I143 D153 L154 L155 A160 Q161	W139-A157 HydrophobicContact CE3-CB 3.71Å; W139-A157 HydrophobicContact CZ3-CB 4.17Å; K142-A157 HydrophobicContact CB-CB 3.82Å; I143-A157 HydrophobicContact CG1-CB 3.86Å; D153-A157 VanDerWaalsContact O-CB 3.3Å; D153-A157 WeakPolarHBondContact O-CB 3.22Å; D153-A157 PolarHBondContact O-N 3.26Å; L154-A157 PolarHBondContact O-N 3.37Å; L155-A157 VanDerWaalsContact C-N 3.31Å; L155-A157 PolarHBondContact O-N 3.41Å; A157-A160 PolarHBondContact O-N 2.9Å; A157-Q161 WeakPolarHBondContact O-CB 3.32Å; A157-Q161 PolarHBondContact O-N 3.4Å
158	L	94.1	Very high	88.2	Confident	6 Å²	6	47.7 Å²	47.7	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-64	-42.5	176.7	-67.6	164.6	0	0	0	111.7	I143 L154 L155 Q161 E162 N173 A176 T177 A180	I143-L158 HydrophobicContact CD1-CD2 3.59Å; I143-L158 HydrophobicContact CD1-CG 4.18Å; I143-L158 HydrophobicContact CG1-CD2 3.88Å; I143-L158 HydrophobicContact CG1-CG 4.11Å; I143-L158 HydrophobicContact CG2-CD2 4.3Å; L154-L158 HydrophobicContact CD1-CD1 3.83Å; L154-L158 HydrophobicContact CD1-CG 4.07Å; L154-L158 HydrophobicContact CG-CD1 3.88Å; L154-L158 WeakPolarHBondContact O-CG 3.43Å; L154-L158 PolarHBondContact O-N 3.39Å; L155-L158 PolarHBondContact O-N 3.23Å; L158-Q161 PolarHBondContact O-N 3.11Å; L158-E162 PolarHBondContact O-N 3.49Å; L158-N173 VanDerWaalsContact CD2-OD1 3.23Å; L158-N173 WeakPolarHBondContact CD2-OD1 3.27Å; L158-N173 PolarHBondContact O-ND2 3.14Å; L158-N173 PolarHBondContact O-OD1 2.99Å; L158-A176 HydrophobicContact CD1-CB 4.39Å; L158-A176 HydrophobicContact CD2-CB 3.93Å; L158-T177 WeakPolarHBondContact CB-OG1 3.26Å; L158-A180 HydrophobicContact CD1-CB 4.42Å
159	I	93.4	Very high	88.6	Confident	36 Å²	36	49 Å²	49	19%	0.185	27%	0.267	C	S	.	.	H	α-helix	trans	-64.3	-42.4	177.1	-69.4	167.6	0	0	0	111	L155 R156 I200 L201	L155-I159 WeakPolarHBondContact O-CB 3.26Å; L155-I159 VanDerWaalsContact O-CG1 3.24Å; L155-I159 WeakPolarHBondContact O-CG1 3.31Å; L155-I159 PolarHBondContact O-N 2.96Å; R156-I159 PolarHBondContact O-N 3.25Å; I159-I200 HydrophobicContact CD1-CG2 4.46Å; I159-I200 HydrophobicContact CG1-CG2 4.43Å; I159-I200 HydrophobicContact CG2-CB 4.24Å; I159-I200 HydrophobicContact CG2-CG2 3.84Å; I159-L201 HydrophobicContact CD1-CB 3.88Å; I159-L201 HydrophobicContact CD1-CD1 3.8Å; I159-L201 HydrophobicContact CD1-CG 4.42Å
160	A	92.4	Very high	89	Confident	34 Å²	34	43.4 Å²	43.4	28%	0.281	25%	0.247	S	C	.	.	H	α-helix	trans	-72.7	-26.5	-179.6	0	0	0	0	0	113.4	W139 R156 A157 P163	W139-A160 HydrophobicContact CD2-CB 3.79Å; W139-A160 HydrophobicContact CE3-CB 4.21Å; W139-A160 HydrophobicContact CG-CB 4.36Å; W139-A160 HydrophobicContact CH2-CB 3.89Å; W139-A160 HydrophobicContact CZ2-CB 3.45Å; W139-A160 VanDerWaalsContact CZ2-CB 3.45Å; W139-A160 HydrophobicContact CZ3-CB 4.24Å; R156-A160 VanDerWaalsContact O-CB 3.23Å; R156-A160 WeakPolarHBondContact O-CB 3.23Å; R156-A160 PolarHBondContact O-N 3.46Å; A157-A160 PolarHBondContact O-N 2.9Å; A160-P163 WeakPolarHBondContact O-CD 3.35Å
161	Q	93.1	Very high	89.2	Confident	11 Å²	11	43.5 Å²	43.5	5%	0.051	24%	0.244	C	C	.	.	H	α-helix	trans	-75.5	-34.2	176.5	-160.7	-175.5	29.3	0	0	112.4	A136 W139 A157 L158 P163 L164 L165	A136-Q161 PolarHBondContact O-NE2 3.37Å; W139-Q161 HydrophobicContact CB-CB 3.86Å; W139-Q161 HydrophobicContact CB-CG 4.01Å; W139-Q161 HydrophobicContact CG-CB 4.43Å; A157-Q161 WeakPolarHBondContact O-CB 3.32Å; A157-Q161 PolarHBondContact O-N 3.4Å; L158-Q161 PolarHBondContact O-N 3.11Å; Q161-P163 VanDerWaalsContact C-CD 3.42Å; Q161-P163 VanDerWaalsContact O-N 3.16Å; Q161-L164 WeakPolarHBondContact O-CA 3.28Å; Q161-L164 VanDerWaalsContact O-CB 3.31Å; Q161-L164 WeakPolarHBondContact O-CB 3.37Å; Q161-L164 PolarHBondContact O-N 3.49Å; Q161-L165 HydrophobicContact CG-CD1 4.07Å; Q161-L165 HydrophobicContact CG-CD2 4.05Å; Q161-L165 HydrophobicContact CG-CG 4.06Å; Q161-L165 WeakPolarHBondContact O-CG 3.44Å
162	E	93	Very high	89.3	Confident	28 Å²	28	47.5 Å²	47.5	13%	0.131	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-47.6	-44.8	-173	-166.9	-78.4	146.3	0	0	115.2	L158 L164 L165 K170 N173 P236	L158-E162 PolarHBondContact O-N 3.49Å; E162-L164 PolarHBondContact O-N 3.09Å; E162-L165 PolarHBondContact O-N 3.03Å; E162-K170 HydrophobicContact CG-CG 4.41Å; E162-K170 WeakPolarHBondContact O-CE 3.31Å; E162-K170 PolarHBondContact O-NZ 2.92Å; E162-K170 WeakPolarHBondContact OE1-CD 3.47Å; E162-K170 WeakPolarHBondContact OE1-CE 3.49Å; E162-K170 WeakPolarHBondContact OE1-CG 3.43Å; E162-K170 IonicContact OE1-NZ 2.98Å; E162-K170 PolarHBondContact OE1-NZ 3.34Å; E162-K170 IonicContact OE2-NZ 2.94Å; E162-N173 WeakPolarHBondContact CB-ND2 3.48Å; E162-P236 HydrophobicContact CG-CB 4.03Å; E162-P236 HydrophobicContact CG-CG 4.12Å
163	P	91.3	Very high	89.5	Confident	85 Å²	85	46.4 Å²	46.4	55%	0.552	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-67.5	-19.1	-179.1	-20.8	35.1	0	0	0	113.6	A160 Q161	A160-P163 WeakPolarHBondContact O-CD 3.35Å; Q161-P163 VanDerWaalsContact C-CD 3.42Å; Q161-P163 VanDerWaalsContact O-N 3.16Å
164	L	88.6	Confident	89.8	Confident	43 Å²	43	42.9 Å²	42.9	23%	0.225	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-90.1	-7.2	-176.5	-50.5	178.6	0	0	0	112.9	Q132 Q135 A136 Q161 E162	Q132-L164 HydrophobicContact CG-CD2 3.7Å; Q135-L164 HydrophobicContact CB-CD1 3.73Å; A136-L164 HydrophobicContact CB-CB 4.28Å; A136-L164 HydrophobicContact CB-CD1 4.2Å; Q161-L164 WeakPolarHBondContact O-CA 3.28Å; Q161-L164 VanDerWaalsContact O-CB 3.31Å; Q161-L164 WeakPolarHBondContact O-CB 3.37Å; Q161-L164 PolarHBondContact O-N 3.49Å; E162-L164 PolarHBondContact O-N 3.09Å
165	L	87.9	Confident	89.5	Confident	36 Å²	36	44.5 Å²	44.5	19%	0.188	24%	0.243	C	C	.	.	S	Bend	trans	-98.1	155.4	-171.3	-65	178.7	0	0	0	112.9	Q161 E162 E169 K170 N173	Q161-L165 HydrophobicContact CG-CD1 4.07Å; Q161-L165 HydrophobicContact CG-CD2 4.05Å; Q161-L165 HydrophobicContact CG-CG 4.06Å; Q161-L165 WeakPolarHBondContact O-CG 3.44Å; E162-L165 PolarHBondContact O-N 3.03Å; L165-E169 HydrophobicContact CB-CB 3.9Å; L165-E169 HydrophobicContact CD1-CB 4.3Å; L165-E169 HydrophobicContact CD2-CB 4.1Å; L165-E169 HydrophobicContact CG-CB 4.31Å; L165-K170 HydrophobicContact CB-CG 3.88Å; L165-K170 WeakPolarHBondContact O-CE 3.36Å; L165-N173 HydrophobicContact CD1-CB 3.48Å; L165-N173 VanDerWaalsContact CD1-CB 3.48Å
166	G	85.1	Confident	89.3	Confident	36 Å²	36	46.2 Å²	46.2	37%	0.371	26%	0.257	S	S	.	.			trans	-74.9	170.6	168.9	0	0	0	0	0	112.4	K168 E169 K170	G166-K168 VanDerWaalsContact C-N 3.32Å; G166-K168 PolarHBondContact O-N 3.25Å; G166-E169 VanDerWaalsContact C-OE2 3.25Å; G166-E169 WeakPolarHBondContact CA-OE2 3.29Å; G166-E169 PolarHBondContact N-OE2 3.39Å; G166-E169 PolarHBondContact O-N 2.93Å; G166-K170 WeakPolarHBondContact O-CB 3.45Å; G166-K170 WeakPolarHBondContact O-CG 3.29Å; G166-K170 PolarHBondContact O-N 2.75Å
167	A	81.2	Confident	89.4	Confident	77 Å²	77	43 Å²	43	64%	0.636	25%	0.246	S	C	*	.	H	α-helix	trans	-60	-36.9	-174.3	0	0	0	0	0	113.9
168	K	78.1	Confident	89.3	Confident	121 Å²	121	43 Å²	43	53%	0.526	25%	0.246	S	C	.	.	H	α-helix	trans	-70.6	-45.7	178.3	-176.2	-178.2	175.5	-174.2	0	110.5	G166 K170 Q171 Q172 D509	G166-K168 VanDerWaalsContact C-N 3.32Å; G166-K168 PolarHBondContact O-N 3.25Å; K168-K170 VanDerWaalsContact C-N 3.34Å; K168-Q171 PolarHBondContact O-N 3.22Å; K168-Q172 PolarHBondContact O-N 3.17Å; K168-D509 IonicContact NZ-OD2 3.77Å; K168-D509 PolarHBondContact NZ-OD2 3.37Å
169	E	86.9	Confident	89	Confident	86 Å²	86	48 Å²	48	40%	0.402	27%	0.268	S	S	.	.	H	α-helix	trans	-68.3	-32.9	179.7	-61.4	78.8	-170.6	0	0	111.7	L165 G166 Q171 Q172 N173	L165-E169 HydrophobicContact CB-CB 3.9Å; L165-E169 HydrophobicContact CD1-CB 4.3Å; L165-E169 HydrophobicContact CD2-CB 4.1Å; L165-E169 HydrophobicContact CG-CB 4.31Å; G166-E169 VanDerWaalsContact C-OE2 3.25Å; G166-E169 WeakPolarHBondContact CA-OE2 3.29Å; G166-E169 PolarHBondContact N-OE2 3.39Å; G166-E169 PolarHBondContact O-N 2.93Å; E169-Q171 PolarHBondContact O-N 3.5Å; E169-Q172 WeakPolarHBondContact O-CB 3.2Å; E169-Q172 PolarHBondContact O-N 2.89Å; E169-N173 WeakPolarHBondContact O-CB 3.29Å; E169-N173 PolarHBondContact O-N 2.91Å
170	K	92	Very high	88.8	Confident	49 Å²	49	46.5 Å²	46.5	21%	0.213	26%	0.262	C	S	.	.	H	α-helix	trans	-58.8	-45.2	173.4	-79.8	170.3	178.3	-103.2	0	112.2	E162 L165 G166 K168 Q172 N173 I174	E162-K170 HydrophobicContact CG-CG 4.41Å; E162-K170 WeakPolarHBondContact O-CE 3.31Å; E162-K170 PolarHBondContact O-NZ 2.92Å; E162-K170 WeakPolarHBondContact OE1-CD 3.47Å; E162-K170 WeakPolarHBondContact OE1-CE 3.49Å; E162-K170 WeakPolarHBondContact OE1-CG 3.43Å; E162-K170 IonicContact OE1-NZ 2.98Å; E162-K170 PolarHBondContact OE1-NZ 3.34Å; E162-K170 IonicContact OE2-NZ 2.94Å; L165-K170 HydrophobicContact CB-CG 3.88Å; L165-K170 WeakPolarHBondContact O-CE 3.36Å; G166-K170 WeakPolarHBondContact O-CB 3.45Å; G166-K170 WeakPolarHBondContact O-CG 3.29Å; G166-K170 PolarHBondContact O-N 2.75Å; K168-K170 VanDerWaalsContact C-N 3.34Å; K170-Q172 VanDerWaalsContact C-N 3.32Å; K170-Q172 PolarHBondContact O-N 2.93Å; K170-N173 PolarHBondContact O-N 2.7Å; K170-I174 WeakPolarHBondContact O-CB 3.45Å; K170-I174 VanDerWaalsContact O-CG1 3.24Å; K170-I174 WeakPolarHBondContact O-CG1 3.24Å; K170-I174 PolarHBondContact O-N 2.73Å
171	Q	87.8	Confident	88.7	Confident	47 Å²	47	44.9 Å²	44.9	22%	0.22	25%	0.249	C	C	.	.	H	α-helix	trans	-62.2	-41.7	176.7	-173.1	64.7	53.2	0	0	111.3	K168 E169 N173 I174 D175 M240 L241	K168-Q171 PolarHBondContact O-N 3.22Å; E169-Q171 PolarHBondContact O-N 3.5Å; Q171-N173 PolarHBondContact O-N 3.05Å; Q171-I174 PolarHBondContact O-N 3.05Å; Q171-D175 PolarHBondContact NE2-OD1 2.59Å; Q171-D175 VanDerWaalsContact NE2-OD1 3.12Å; Q171-D175 WeakPolarHBondContact O-CB 3.29Å; Q171-D175 VanDerWaalsContact O-CG 3.31Å; Q171-D175 PolarHBondContact O-N 3.23Å; Q171-M240 HydrophobicContact CB-CE 3.81Å; Q171-M240 HydrophobicContact CG-CE 4.49Å; Q171-L241 PolarHBondContact NE2-O 3.29Å; Q171-L241 VanDerWaalsContact NE2-O 3.11Å
172	Q	86.6	Confident	88.3	Confident	119 Å²	119	45.1 Å²	45.1	56%	0.556	25%	0.251	S	S	*	.	H	α-helix	trans	-62.4	-42.9	176.8	-66.1	177.8	-12.2	0	0	111.7	K168 E169 K170 D175 A176	K168-Q172 PolarHBondContact O-N 3.17Å; E169-Q172 WeakPolarHBondContact O-CB 3.2Å; E169-Q172 PolarHBondContact O-N 2.89Å; K170-Q172 VanDerWaalsContact C-N 3.32Å; K170-Q172 PolarHBondContact O-N 2.93Å; Q172-D175 PolarHBondContact O-N 3.07Å; Q172-A176 WeakPolarHBondContact O-CB 3.27Å; Q172-A176 PolarHBondContact O-N 3.36Å
173	N	92.1	Very high	87.8	Confident	8 Å²	8	46.8 Å²	46.8	4%	0.043	27%	0.266	C	S	.	.	H	α-helix	trans	-66.4	-38.9	177.3	-176.8	71.4	0	0	0	112.5	L158 E162 L165 E169 K170 Q171 A176 T177	L158-N173 VanDerWaalsContact CD2-OD1 3.23Å; L158-N173 WeakPolarHBondContact CD2-OD1 3.27Å; L158-N173 PolarHBondContact O-ND2 3.14Å; L158-N173 PolarHBondContact O-OD1 2.99Å; E162-N173 WeakPolarHBondContact CB-ND2 3.48Å; L165-N173 HydrophobicContact CD1-CB 3.48Å; L165-N173 VanDerWaalsContact CD1-CB 3.48Å; E169-N173 WeakPolarHBondContact O-CB 3.29Å; E169-N173 PolarHBondContact O-N 2.91Å; K170-N173 PolarHBondContact O-N 2.7Å; Q171-N173 PolarHBondContact O-N 3.05Å; N173-A176 PolarHBondContact O-N 2.74Å; N173-T177 WeakPolarHBondContact O-CB 3.4Å; N173-T177 PolarHBondContact O-N 2.85Å; N173-T177 PolarHBondContact O-OG1 2.72Å
174	I	92.8	Very high	87.4	Confident	2 Å²	2	43 Å²	43	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-63	-44.6	173.9	-74.6	171.7	0	0	0	110.7	K170 Q171 T177 W178 W204 P236 M240 P242	K170-I174 WeakPolarHBondContact O-CB 3.45Å; K170-I174 VanDerWaalsContact O-CG1 3.24Å; K170-I174 WeakPolarHBondContact O-CG1 3.24Å; K170-I174 PolarHBondContact O-N 2.73Å; Q171-I174 PolarHBondContact O-N 3.05Å; I174-T177 WeakPolarHBondContact O-CB 3.45Å; I174-T177 PolarHBondContact O-N 2.55Å; I174-W178 WeakPolarHBondContact O-CB 3.46Å; I174-W178 PolarHBondContact O-N 3.06Å; I174-W204 HydrophobicContact CG2-CH2 4.01Å; I174-W204 HydrophobicContact CG2-CZ2 4.43Å; I174-P236 HydrophobicContact CD1-CB 4.13Å; I174-P236 HydrophobicContact CG1-CB 4.3Å; I174-M240 HydrophobicContact CD1-CB 3.65Å; I174-M240 WeakPolarHBondContact CG2-O 3.49Å; I174-P242 HydrophobicContact CG2-CB 4.37Å; I174-P242 HydrophobicContact CG2-CG 3.92Å
175	D	86.5	Confident	87	Confident	41 Å²	41	44.2 Å²	44.2	22%	0.219	25%	0.25	C	S	.	.	H	α-helix	trans	-64.9	-39.9	177.2	-72.7	-13.8	0	0	0	111.3	Q171 Q172 W178 Q179 P242 T243	Q171-D175 PolarHBondContact NE2-OD1 2.59Å; Q171-D175 VanDerWaalsContact NE2-OD1 3.12Å; Q171-D175 WeakPolarHBondContact O-CB 3.29Å; Q171-D175 VanDerWaalsContact O-CG 3.31Å; Q171-D175 PolarHBondContact O-N 3.23Å; Q172-D175 PolarHBondContact O-N 3.07Å; D175-W178 PolarHBondContact O-N 2.89Å; D175-Q179 VanDerWaalsContact O-CB 3.3Å; D175-Q179 WeakPolarHBondContact O-CB 3.49Å; D175-Q179 PolarHBondContact O-N 2.77Å; D175-P242 VanDerWaalsContact OD1-CA 3.31Å; D175-P242 WeakPolarHBondContact OD1-CA 2.79Å; D175-T243 PolarHBondContact OD1-N 2.93Å; D175-T243 PolarHBondContact OD1-OG1 2.84Å; D175-T243 WeakPolarHBondContact OD2-CB 3.28Å; D175-T243 PolarHBondContact OD2-OG1 2.84Å
176	A	88.9	Confident	86.4	Confident	36 Å²	36	46.7 Å²	46.7	30%	0.298	26%	0.261	S	S	.	.	H	α-helix	trans	-65.8	-40.3	174.2	0	0	0	0	0	112.4	L158 Q172 N173 W178 Q179 A180	L158-A176 HydrophobicContact CD1-CB 4.39Å; L158-A176 HydrophobicContact CD2-CB 3.93Å; Q172-A176 WeakPolarHBondContact O-CB 3.27Å; Q172-A176 PolarHBondContact O-N 3.36Å; N173-A176 PolarHBondContact O-N 2.74Å; A176-W178 VanDerWaalsContact C-N 3.34Å; A176-Q179 PolarHBondContact O-N 2.97Å; A176-A180 PolarHBondContact O-N 2.78Å
177	T	92.9	Very high	86	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.018	28%	0.278	C	S	.	.	H	α-helix	trans	-59.8	-47.7	174.2	-55.1	0	0	0	0	110.2	L155 L158 N173 I174 A180 L181 W204	L155-T177 HydrophobicContact CD2-CG2 4.44Å; L158-T177 WeakPolarHBondContact CB-OG1 3.26Å; N173-T177 WeakPolarHBondContact O-CB 3.4Å; N173-T177 PolarHBondContact O-N 2.85Å; N173-T177 PolarHBondContact O-OG1 2.72Å; I174-T177 WeakPolarHBondContact O-CB 3.45Å; I174-T177 PolarHBondContact O-N 2.55Å; T177-A180 PolarHBondContact O-N 2.89Å; T177-L181 HydrophobicContact CG2-CD1 4.1Å; T177-L181 WeakPolarHBondContact O-CD1 3.27Å; T177-L181 WeakPolarHBondContact O-CG 3.42Å; T177-L181 PolarHBondContact O-N 3.28Å; T177-L181 VanDerWaalsContact O-N 3.09Å; T177-W204 HydrophobicContact CG2-CD2 3.93Å; T177-W204 HydrophobicContact CG2-CE3 4.46Å; T177-W204 HydrophobicContact CG2-CG 4.2Å; T177-W204 HydrophobicContact CG2-CZ2 4.16Å
178	W	91.1	Very high	86	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.7	-42.2	177.2	-175.6	-110.6	0	0	0	112.5	I174 D175 A176 A180 L181 S182 W204 L207 W211 P242 Q244 L245	I174-W178 WeakPolarHBondContact O-CB 3.46Å; I174-W178 PolarHBondContact O-N 3.06Å; D175-W178 PolarHBondContact O-N 2.89Å; A176-W178 VanDerWaalsContact C-N 3.34Å; W178-A180 VanDerWaalsContact C-N 3.34Å; W178-A180 PolarHBondContact O-N 2.78Å; W178-L181 HydrophobicContact CE3-CD1 4.36Å; W178-L181 PolarHBondContact O-N 2.79Å; W178-S182 WeakPolarHBondContact O-CB 3.46Å; W178-S182 PolarHBondContact O-N 2.97Å; W178-S182 PolarHBondContact O-OG 3.22Å; W178-W204 HydrophobicContact CB-CZ3 4.46Å; W178-W204 HydrophobicContact CE3-CE3 4.07Å; W178-W204 AromaticContact CE3-CZ3 3.79Å; W178-W204 HydrophobicContact CE3-CZ3 3.79Å; W178-L207 HydrophobicContact CE3-CD2 4.12Å; W178-L207 HydrophobicContact CE3-CG 4.41Å; W178-L207 HydrophobicContact CH2-CD2 4.35Å; W178-L207 HydrophobicContact CH2-CG 3.85Å; W178-L207 HydrophobicContact CZ3-CB 4.01Å; W178-L207 HydrophobicContact CZ3-CD2 3.7Å; W178-L207 HydrophobicContact CZ3-CG 3.51Å; W178-W211 HydrophobicContact CH2-CB 3.58Å; W178-W211 AromaticContact CH2-CG 3.99Å; W178-W211 HydrophobicContact CH2-CG 3.99Å; W178-W211 HydrophobicContact CZ2-CB 3.78Å; W178-W211 AromaticContact CZ2-CD2 3.94Å; W178-W211 HydrophobicContact CZ2-CD2 3.94Å; W178-W211 HydrophobicContact CZ2-CE3 4.29Å; W178-W211 AromaticContact CZ2-CG 3.68Å; W178-W211 HydrophobicContact CZ2-CG 3.68Å; W178-P242 HydrophobicContact CB-CB 3.6Å; W178-P242 HydrophobicContact CB-CG 3.6Å; W178-P242 HydrophobicContact CD2-CB 4.22Å; W178-P242 HydrophobicContact CD2-CG 4Å; W178-P242 HydrophobicContact CE3-CG 4.31Å; W178-P242 HydrophobicContact CG-CB 3.54Å; W178-P242 HydrophobicContact CG-CG 3.68Å; W178-Q244 VanDerWaalsContact CD1-OE1 3.3Å; W178-Q244 VanDerWaalsContact NE1-OE1 3.1Å; W178-L245 HydrophobicContact CD2-CD1 4.28Å; W178-L245 HydrophobicContact CD2-CG 4.49Å; W178-L245 HydrophobicContact CE3-CD1 4.36Å; W178-L245 HydrophobicContact CH2-CD1 3.99Å; W178-L245 HydrophobicContact CH2-CD2 4.29Å; W178-L245 HydrophobicContact CZ2-CD1 3.91Å; W178-L245 HydrophobicContact CZ2-CD2 3.61Å; W178-L245 HydrophobicContact CZ2-CG 3.95Å; W178-L245 HydrophobicContact CZ3-CD1 4.24Å
179	Q	86.4	Confident	86	Confident	109 Å²	109	47.6 Å²	47.6	51%	0.509	25%	0.246	S	C	.	.	H	α-helix	trans	-62.5	-40.6	177.8	-177.7	176.4	-9.6	0	0	112.2	D175 A176 S182 S183	D175-Q179 VanDerWaalsContact O-CB 3.3Å; D175-Q179 WeakPolarHBondContact O-CB 3.49Å; D175-Q179 PolarHBondContact O-N 2.77Å; A176-Q179 PolarHBondContact O-N 2.97Å; Q179-S182 PolarHBondContact O-OG 3.28Å; Q179-S183 WeakPolarHBondContact O-CB 3.4Å; Q179-S183 PolarHBondContact O-N 3.37Å; Q179-S183 PolarHBondContact O-OG 2.89Å
180	A	89.4	Confident	85.5	Confident	6 Å²	6	50 Å²	50	5%	0.05	26%	0.262	C	S	.	.	H	α-helix	trans	-62.4	-44.9	174.1	0	0	0	0	0	110.9	L154 L155 L158 A176 T177 W178 S183 M184	L154-A180 HydrophobicContact CD2-CB 3.92Å; L154-A180 HydrophobicContact CG-CB 4.38Å; L155-A180 HydrophobicContact CD2-CB 3.71Å; L158-A180 HydrophobicContact CD1-CB 4.42Å; A176-A180 PolarHBondContact O-N 2.78Å; T177-A180 PolarHBondContact O-N 2.89Å; W178-A180 VanDerWaalsContact C-N 3.34Å; W178-A180 PolarHBondContact O-N 2.78Å; A180-S183 PolarHBondContact O-OG 3.36Å; A180-S183 VanDerWaalsContact O-OG 3.06Å; A180-M184 WeakPolarHBondContact O-CG 3.44Å; A180-M184 PolarHBondContact O-N 3.35Å
181	L	90	Very high	85	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66.5	-45.5	178.5	-69.9	160.1	0	0	0	113.2	L155 T177 W178 S183 M184 W204 L205 Q208	L155-L181 HydrophobicContact CD1-CD2 3.67Å; L155-L181 HydrophobicContact CD1-CG 4.43Å; L155-L181 HydrophobicContact CD2-CD1 4.43Å; L155-L181 HydrophobicContact CD2-CD2 3.83Å; L155-L181 HydrophobicContact CD2-CG 3.65Å; L155-L181 HydrophobicContact CG-CD2 4.42Å; T177-L181 HydrophobicContact CG2-CD1 4.1Å; T177-L181 WeakPolarHBondContact O-CD1 3.27Å; T177-L181 WeakPolarHBondContact O-CG 3.42Å; T177-L181 PolarHBondContact O-N 3.28Å; T177-L181 VanDerWaalsContact O-N 3.09Å; W178-L181 HydrophobicContact CE3-CD1 4.36Å; W178-L181 PolarHBondContact O-N 2.79Å; L181-S183 PolarHBondContact O-N 3.11Å; L181-M184 PolarHBondContact O-N 2.84Å; L181-M184 VanDerWaalsContact O-N 3.15Å; L181-W204 HydrophobicContact CD1-CB 3.59Å; L181-W204 HydrophobicContact CD1-CD2 3.83Å; L181-W204 HydrophobicContact CD1-CE3 3.53Å; L181-W204 HydrophobicContact CD1-CG 3.9Å; L181-W204 HydrophobicContact CD1-CZ3 4.46Å; L181-L205 HydrophobicContact CD2-CD2 3.74Å; L181-L205 HydrophobicContact CD2-CG 4.42Å; L181-Q208 HydrophobicContact CB-CB 4.29Å; L181-Q208 HydrophobicContact CB-CG 4.25Å
182	S	85.2	Confident	84.7	Confident	16 Å²	16	52 Å²	52	11%	0.112	28%	0.28	C	S	.	.	H	α-helix	trans	-69.7	-17.2	-175.9	71.1	0	0	0	0	112.9	W178 Q179	W178-S182 WeakPolarHBondContact O-CB 3.46Å; W178-S182 PolarHBondContact O-N 2.97Å; W178-S182 PolarHBondContact O-OG 3.22Å; Q179-S182 PolarHBondContact O-OG 3.28Å
183	S	82.8	Confident	84.3	Confident	62 Å²	62	51.7 Å²	51.7	43%	0.434	29%	0.286	S	S	.	.	H	α-helix	trans	-95.9	-10.5	174.3	54.5	0	0	0	0	114	P150 Q179 A180 L181	P150-S183 WeakPolarHBondContact CG-OG 3.5Å; Q179-S183 WeakPolarHBondContact O-CB 3.4Å; Q179-S183 PolarHBondContact O-N 3.37Å; Q179-S183 PolarHBondContact O-OG 2.89Å; A180-S183 PolarHBondContact O-OG 3.36Å; A180-S183 VanDerWaalsContact O-OG 3.06Å; L181-S183 PolarHBondContact O-N 3.11Å
184	M	83.6	Confident	83.9	Confident	5 Å²	5	53.7 Å²	53.7	3%	0.025	30%	0.296	C	S	.	.	S	Bend	trans	-74.2	137.9	169.9	-70.4	-172.6	71.2	0	0	111.1	P150 L155 A180 L181 Q188 L192 F212	P150-M184 HydrophobicContact CB-CB 4.46Å; P150-M184 HydrophobicContact CB-CG 3.31Å; P150-M184 HydrophobicContact CB-SD 4.32Å; P150-M184 HydrophobicContact CG-CG 4.47Å; L155-M184 HydrophobicContact CD1-SD 3.89Å; A180-M184 WeakPolarHBondContact O-CG 3.44Å; A180-M184 PolarHBondContact O-N 3.35Å; L181-M184 PolarHBondContact O-N 2.84Å; L181-M184 VanDerWaalsContact O-N 3.15Å; M184-Q188 HydrophobicContact CB-CB 4.47Å; M184-Q188 HydrophobicContact CE-CB 3.66Å; M184-L192 HydrophobicContact CE-CD1 3.85Å; M184-L192 HydrophobicContact CE-CD2 3.89Å; M184-L192 HydrophobicContact CE-CG 4.05Å; M184-L192 HydrophobicContact SD-CD1 4.25Å; M184-F212 WeakPolarHBondContact O-CZ 3.14Å
185	T	80.7	Confident	83.4	Confident	69 Å²	69	57.7 Å²	57.7	42%	0.423	32%	0.317	S	S	.	.			trans	-70.3	157.9	169	71	0	0	0	0	110.6	E187 Q188 A189	T185-E187 PolarHBondContact O-N 3.22Å; T185-Q188 PolarHBondContact O-N 3.4Å; T185-Q188 VanDerWaalsContact OG1-CG 3.28Å; T185-Q188 WeakPolarHBondContact OG1-CG 3.02Å; T185-Q188 PolarHBondContact OG1-N 3.45Å; T185-Q188 VanDerWaalsContact OG1-N 3.14Å; T185-A189 PolarHBondContact O-N 2.98Å
186	Q	74.4	Confident	82.9	Confident	89 Å²	89	60.8 Å²	60.8	42%	0.416	35%	0.348	S	S	.	.	H	α-helix	trans	-58.9	-37	174.2	-80	-174.3	-11.8	0	0	112.1	A189 N190	Q186-A189 PolarHBondContact O-N 2.97Å; Q186-N190 WeakPolarHBondContact O-CB 3.46Å; Q186-N190 PolarHBondContact O-N 2.91Å; Q186-N190 PolarHBondContact O-ND2 2.93Å
187	E	77.4	Confident	82.7	Confident	157 Å²	157	65 Å²	65	73%	0.734	37%	0.366	S	S	*	.	H	α-helix	trans	-62	-46.8	174.7	-71.6	-177.6	166	0	0	111.7	T185 A189 N190 T191	T185-E187 PolarHBondContact O-N 3.22Å; E187-A189 VanDerWaalsContact C-N 3.33Å; E187-A189 PolarHBondContact O-N 3.34Å; E187-N190 PolarHBondContact O-N 2.78Å; E187-T191 WeakPolarHBondContact O-CG2 3.45Å; E187-T191 PolarHBondContact O-N 3.4Å; E187-T191 VanDerWaalsContact O-N 3.08Å; E187-T191 PolarHBondContact O-OG1 3.34Å
188	Q	80.2	Confident	82.4	Confident	87 Å²	87	66.7 Å²	66.7	41%	0.407	37%	0.374	S	S	.	.	H	α-helix	trans	-60.9	-43.8	176.8	-73.5	171	-24.8	0	0	111.4	M184 T185 N190 T191 L192	M184-Q188 HydrophobicContact CB-CB 4.47Å; M184-Q188 HydrophobicContact CE-CB 3.66Å; T185-Q188 PolarHBondContact O-N 3.4Å; T185-Q188 VanDerWaalsContact OG1-CG 3.28Å; T185-Q188 WeakPolarHBondContact OG1-CG 3.02Å; T185-Q188 PolarHBondContact OG1-N 3.45Å; T185-Q188 VanDerWaalsContact OG1-N 3.14Å; Q188-N190 PolarHBondContact O-N 3.45Å; Q188-T191 PolarHBondContact O-N 3.04Å; Q188-T191 PolarHBondContact O-OG1 2.78Å; Q188-L192 WeakPolarHBondContact O-CG 3.22Å
189	A	78.4	Confident	82.4	Confident	9 Å²	9	72 Å²	72	7%	0.074	40%	0.402	C	S	.	.	H	α-helix	trans	-62.5	-40.6	177.9	0	0	0	0	0	112.1	T185 Q186 E187 T191 L192 L205	T185-A189 PolarHBondContact O-N 2.98Å; Q186-A189 PolarHBondContact O-N 2.97Å; E187-A189 VanDerWaalsContact C-N 3.33Å; E187-A189 PolarHBondContact O-N 3.34Å; A189-T191 VanDerWaalsContact C-N 3.31Å; A189-T191 PolarHBondContact O-N 2.84Å; A189-L192 WeakPolarHBondContact O-CB 3.31Å; A189-L192 WeakPolarHBondContact O-CG 3.39Å; A189-L192 PolarHBondContact O-N 3.36Å; A189-L205 HydrophobicContact CB-CD2 4.3Å
190	N	75.7	Confident	82.7	Confident	137 Å²	137	69.2 Å²	69.2	73%	0.733	39%	0.39	S	S	*	.	H	α-helix	trans	-71.1	-24.2	179.1	-71.1	-20.8	0	0	0	113.4	Q186 E187 Q188 L192	Q186-N190 WeakPolarHBondContact O-CB 3.46Å; Q186-N190 PolarHBondContact O-N 2.91Å; Q186-N190 PolarHBondContact O-ND2 2.93Å; E187-N190 PolarHBondContact O-N 2.78Å; Q188-N190 PolarHBondContact O-N 3.45Å; N190-L192 VanDerWaalsContact C-N 3.26Å; N190-L192 PolarHBondContact O-N 3.03Å
191	T	81.6	Confident	82.8	Confident	109 Å²	109	69.1 Å²	69.1	67%	0.669	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-5.5	175.3	59.3	0	0	0	0	113.9	E187 Q188 A189 V193	E187-T191 WeakPolarHBondContact O-CG2 3.45Å; E187-T191 PolarHBondContact O-N 3.4Å; E187-T191 VanDerWaalsContact O-N 3.08Å; E187-T191 PolarHBondContact O-OG1 3.34Å; Q188-T191 PolarHBondContact O-N 3.04Å; Q188-T191 PolarHBondContact O-OG1 2.78Å; A189-T191 VanDerWaalsContact C-N 3.31Å; A189-T191 PolarHBondContact O-N 2.84Å; T191-V193 PolarHBondContact O-N 2.81Å
192	L	81.1	Confident	82.9	Confident	29 Å²	29	72.5 Å²	72.5	15%	0.152	41%	0.405	C	S	.	.			trans	-71.5	125.7	-177.8	-63	-172.6	0	0	0	111.6	I152 L155 M184 Q188 A189 N190 I194 L205	I152-L192 HydrophobicContact CB-CD2 3.79Å; I152-L192 HydrophobicContact CD1-CB 4.1Å; I152-L192 HydrophobicContact CD1-CD2 4.29Å; I152-L192 HydrophobicContact CG1-CD2 4.37Å; L155-L192 HydrophobicContact CD1-CD1 4.23Å; M184-L192 HydrophobicContact CE-CD1 3.85Å; M184-L192 HydrophobicContact CE-CD2 3.89Å; M184-L192 HydrophobicContact CE-CG 4.05Å; M184-L192 HydrophobicContact SD-CD1 4.25Å; Q188-L192 WeakPolarHBondContact O-CG 3.22Å; A189-L192 WeakPolarHBondContact O-CB 3.31Å; A189-L192 WeakPolarHBondContact O-CG 3.39Å; A189-L192 PolarHBondContact O-N 3.36Å; N190-L192 VanDerWaalsContact C-N 3.26Å; N190-L192 PolarHBondContact O-N 3.03Å; L192-I194 PolarHBondContact O-N 3.35Å; L192-L205 HydrophobicContact CD1-CD1 4.32Å; L192-L205 HydrophobicContact CD1-CD2 3.95Å
193	V	79.7	Confident	83.3	Confident	112 Å²	112	71.7 Å²	71.7	68%	0.679	40%	0.399	S	S	*	.			trans	-86.5	103.3	172.2	-177.5	0	0	0	0	109	I152 R156 T191	I152-V193 VanDerWaalsContact CD1-O 3.23Å; I152-V193 WeakPolarHBondContact CD1-O 3.47Å; R156-V193 PolarHBondContact NH2-O 3.19Å; T191-V193 PolarHBondContact O-N 2.81Å
194	I	83.2	Confident	83.8	Confident	50 Å²	50	68.9 Å²	68.9	26%	0.256	38%	0.379	S	S	.	.			trans	-96.9	132.1	178.5	-51	162	0	0	0	108.2	L192 E198 L201 L205	L192-I194 PolarHBondContact O-N 3.35Å; I194-E198 HydrophobicContact CG2-CB 3.72Å; I194-L201 HydrophobicContact CG1-CD2 4.33Å; I194-L201 HydrophobicContact CG2-CD2 4.27Å; I194-L205 HydrophobicContact CD1-CD1 3.25Å; I194-L205 HydrophobicContact CG1-CD1 3.99Å
195	N	82.6	Confident	84.1	Confident	85 Å²	85	69.4 Å²	69.4	46%	0.455	38%	0.382	S	S	.	.			trans	-77.1	151.6	173.2	-59.7	-34.2	0	0	0	110.3	D197 E198	N195-D197 WeakPolarHBondContact CB-OD1 3.25Å; N195-D197 PolarHBondContact O-N 2.71Å; N195-E198 HydrophobicContact CB-CG 4.08Å; N195-E198 PolarHBondContact N-OE2 3.2Å; N195-E198 WeakPolarHBondContact O-CB 3.4Å; N195-E198 PolarHBondContact O-N 2.82Å
196	A	75.7	Confident	84.6	Confident	106 Å²	106	67.7 Å²	67.7	88%	0.876	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-19.7	-174.5	0	0	0	0	0	114.4
197	D	84.3	Confident	85.5	Confident	125 Å²	125	63.5 Å²	63.5	67%	0.668	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-8.9	178.7	60.9	-29	0	0	0	113.9	N195 N199	N195-D197 WeakPolarHBondContact CB-OD1 3.25Å; N195-D197 PolarHBondContact O-N 2.71Å; D197-N199 PolarHBondContact O-N 2.71Å
198	E	86.5	Confident	86.1	Confident	38 Å²	38	56.4 Å²	56.4	18%	0.178	32%	0.318	C	S	.	.			trans	-82.5	51.2	-176.1	-66.5	-175	106	0	0	113.5	R156 I194 N195 I200 L201 Q202	R156-E198 IonicContact CZ-OE1 2.73Å; R156-E198 IonicContact CZ-OE2 2.96Å; R156-E198 IonicContact NE-OE1 3.74Å; R156-E198 PolarHBondContact NE-OE1 2.91Å; R156-E198 IonicContact NE-OE2 2.7Å; R156-E198 IonicContact NH2-OE1 3.38Å; R156-E198 IonicContact NH2-OE2 2.77Å; R156-E198 PolarHBondContact NH2-OE2 2.71Å; I194-E198 HydrophobicContact CG2-CB 3.72Å; N195-E198 HydrophobicContact CB-CG 4.08Å; N195-E198 PolarHBondContact N-OE2 3.2Å; N195-E198 WeakPolarHBondContact O-CB 3.4Å; N195-E198 PolarHBondContact O-N 2.82Å; E198-I200 PolarHBondContact O-N 2.68Å; E198-I200 VanDerWaalsContact O-N 3.16Å; E198-L201 HydrophobicContact CB-CB 4.11Å; E198-L201 PolarHBondContact O-N 3.13Å; E198-Q202 PolarHBondContact O-N 3.42Å
199	N	90.9	Very high	86.5	Confident	113 Å²	113	59.9 Å²	59.9	60%	0.604	33%	0.327	S	S	*	.	H	α-helix	trans	-56.6	-33.5	-177.2	-73.4	-51.1	0	0	0	114.2	D197 G203	D197-N199 PolarHBondContact O-N 2.71Å; N199-G203 PolarHBondContact O-N 2.92Å
200	I	93.2	Very high	87.1	Confident	50 Å²	50	60.2 Å²	60.2	26%	0.256	33%	0.328	S	S	.	.	H	α-helix	trans	-68.6	-42.4	178.1	-57.2	-62.9	0	0	0	110.7	I159 E198 G203 W204 N235 P236	I159-I200 HydrophobicContact CD1-CG2 4.46Å; I159-I200 HydrophobicContact CG1-CG2 4.43Å; I159-I200 HydrophobicContact CG2-CB 4.24Å; I159-I200 HydrophobicContact CG2-CG2 3.84Å; E198-I200 PolarHBondContact O-N 2.68Å; E198-I200 VanDerWaalsContact O-N 3.16Å; I200-G203 PolarHBondContact O-N 3.4Å; I200-W204 PolarHBondContact O-N 2.75Å; I200-W204 VanDerWaalsContact O-N 3.07Å; I200-N235 PolarHBondContact O-ND2 3.24Å; I200-P236 HydrophobicContact CG2-CG 4.48Å
201	L	92.5	Very high	87.6	Confident	3 Å²	3	55 Å²	55	2%	0.016	30%	0.298	C	S	.	.	H	α-helix	trans	-66.8	-42.1	177.1	179.6	57.9	0	0	0	111	I152 L155 I159 I194 E198 G203 W204 L205	I152-L201 HydrophobicContact CG1-CD2 4.42Å; L155-L201 HydrophobicContact CB-CD1 4.06Å; L155-L201 HydrophobicContact CD1-CD1 4.14Å; I159-L201 HydrophobicContact CD1-CB 3.88Å; I159-L201 HydrophobicContact CD1-CD1 3.8Å; I159-L201 HydrophobicContact CD1-CG 4.42Å; I194-L201 HydrophobicContact CG1-CD2 4.33Å; I194-L201 HydrophobicContact CG2-CD2 4.27Å; E198-L201 HydrophobicContact CB-CB 4.11Å; E198-L201 PolarHBondContact O-N 3.13Å; L201-G203 VanDerWaalsContact C-N 3.32Å; L201-G203 PolarHBondContact O-N 3.36Å; L201-W204 WeakPolarHBondContact O-CB 3.38Å; L201-W204 PolarHBondContact O-N 2.72Å; L201-W204 VanDerWaalsContact O-N 3.13Å; L201-L205 HydrophobicContact CD1-CD1 4.38Å; L201-L205 HydrophobicContact CD1-CG 4.46Å; L201-L205 HydrophobicContact CG-CD1 4.22Å; L201-L205 WeakPolarHBondContact O-CG 3.44Å; L201-L205 PolarHBondContact O-N 2.96Å
202	Q	90.6	Very high	87.6	Confident	71 Å²	71	51.8 Å²	51.8	33%	0.332	28%	0.275	S	S	.	.	H	α-helix	trans	-57.5	-46.1	173.9	-173.9	62.8	48.1	0	0	111.4	E198 W204 L205 D206	E198-Q202 PolarHBondContact O-N 3.42Å; Q202-W204 VanDerWaalsContact C-N 3.3Å; Q202-W204 PolarHBondContact O-N 3.29Å; Q202-L205 PolarHBondContact O-N 2.95Å; Q202-D206 PolarHBondContact NE2-OD1 3.4Å; Q202-D206 PolarHBondContact O-N 2.78Å
203	G	93.3	Very high	87.8	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.1	-42.2	175.6	0	0	0	0	0	112.5	N199 I200 L201 L205 D206 L207 W228 Y232	N199-G203 PolarHBondContact O-N 2.92Å; I200-G203 PolarHBondContact O-N 3.4Å; L201-G203 VanDerWaalsContact C-N 3.32Å; L201-G203 PolarHBondContact O-N 3.36Å; G203-L205 PolarHBondContact O-N 3.04Å; G203-D206 PolarHBondContact O-N 2.84Å; G203-L207 PolarHBondContact O-N 3Å; G203-L207 VanDerWaalsContact O-N 3.08Å; G203-W228 PolarHBondContact O-NE1 2.78Å; G203-Y232 VanDerWaalsContact CA-CD1 3.48Å; G203-Y232 VanDerWaalsContact CA-CE1 3.5Å
204	W	93.6	Very high	88	Confident	3 Å²	3	51 Å²	51	1%	0.011	27%	0.267	C	S	.	.	H	α-helix	trans	-62.8	-41	176.8	-86.6	121.1	0	0	0	113.8	I174 T177 W178 L181 I200 L201 Q202 L207 Q208 N235 P242	I174-W204 HydrophobicContact CG2-CH2 4.01Å; I174-W204 HydrophobicContact CG2-CZ2 4.43Å; T177-W204 HydrophobicContact CG2-CD2 3.93Å; T177-W204 HydrophobicContact CG2-CE3 4.46Å; T177-W204 HydrophobicContact CG2-CG 4.2Å; T177-W204 HydrophobicContact CG2-CZ2 4.16Å; W178-W204 HydrophobicContact CB-CZ3 4.46Å; W178-W204 HydrophobicContact CE3-CE3 4.07Å; W178-W204 AromaticContact CE3-CZ3 3.79Å; W178-W204 HydrophobicContact CE3-CZ3 3.79Å; L181-W204 HydrophobicContact CD1-CB 3.59Å; L181-W204 HydrophobicContact CD1-CD2 3.83Å; L181-W204 HydrophobicContact CD1-CE3 3.53Å; L181-W204 HydrophobicContact CD1-CG 3.9Å; L181-W204 HydrophobicContact CD1-CZ3 4.46Å; I200-W204 PolarHBondContact O-N 2.75Å; I200-W204 VanDerWaalsContact O-N 3.07Å; L201-W204 WeakPolarHBondContact O-CB 3.38Å; L201-W204 PolarHBondContact O-N 2.72Å; L201-W204 VanDerWaalsContact O-N 3.13Å; Q202-W204 VanDerWaalsContact C-N 3.3Å; Q202-W204 PolarHBondContact O-N 3.29Å; W204-L207 HydrophobicContact CE3-CD2 4.11Å; W204-L207 HydrophobicContact CZ3-CD2 3.87Å; W204-L207 PolarHBondContact O-N 3.24Å; W204-Q208 PolarHBondContact O-N 3.38Å; W204-N235 PolarHBondContact NE1-OD1 2.77Å; W204-P242 HydrophobicContact CH2-CG 3.73Å; W204-P242 HydrophobicContact CZ3-CG 3.75Å
205	L	91	Very high	87.5	Confident	15 Å²	15	54 Å²	54	8%	0.079	28%	0.275	C	S	.	.	H	α-helix	trans	-69.4	-37.2	177.7	-67.9	167.6	0	0	0	112.1	L181 A189 L192 I194 L201 Q202 G203 L207 Q208 R209	L181-L205 HydrophobicContact CD2-CD2 3.74Å; L181-L205 HydrophobicContact CD2-CG 4.42Å; A189-L205 HydrophobicContact CB-CD2 4.3Å; L192-L205 HydrophobicContact CD1-CD1 4.32Å; L192-L205 HydrophobicContact CD1-CD2 3.95Å; I194-L205 HydrophobicContact CD1-CD1 3.25Å; I194-L205 HydrophobicContact CG1-CD1 3.99Å; L201-L205 HydrophobicContact CD1-CD1 4.38Å; L201-L205 HydrophobicContact CD1-CG 4.46Å; L201-L205 HydrophobicContact CG-CD1 4.22Å; L201-L205 WeakPolarHBondContact O-CG 3.44Å; L201-L205 PolarHBondContact O-N 2.96Å; Q202-L205 PolarHBondContact O-N 2.95Å; G203-L205 PolarHBondContact O-N 3.04Å; L205-L207 VanDerWaalsContact C-N 3.31Å; L205-L207 PolarHBondContact O-N 2.9Å; L205-Q208 WeakPolarHBondContact O-CB 2.9Å; L205-Q208 PolarHBondContact O-N 3.46Å; L205-R209 PolarHBondContact O-N 2.86Å
206	D	91.4	Very high	86.7	Confident	33 Å²	33	56.4 Å²	56.4	18%	0.176	29%	0.288	C	S	.	.	H	α-helix	trans	-61.1	-39.5	172.2	-90.3	44.4	0	0	0	112	Q202 G203 R209 V210 R231 Y232	Q202-D206 PolarHBondContact NE2-OD1 3.4Å; Q202-D206 PolarHBondContact O-N 2.78Å; G203-D206 PolarHBondContact O-N 2.84Å; D206-R209 PolarHBondContact O-N 2.89Å; D206-V210 WeakPolarHBondContact O-CG2 3.24Å; D206-V210 PolarHBondContact O-N 3.48Å; D206-R231 IonicContact OD2-CZ 3.27Å; D206-R231 IonicContact OD2-NH1 3.36Å; D206-R231 PolarHBondContact OD2-NH1 2.75Å; D206-R231 IonicContact OD2-NH2 3.72Å; D206-Y232 HydrophobicContact CB-CE2 3.83Å; D206-Y232 VanDerWaalsContact CG-OH 3.31Å; D206-Y232 PolarHBondContact OD2-OH 3.25Å
207	L	92.7	Very high	86.5	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-67.2	-38.9	175.1	-171.9	55.9	0	0	0	112	W178 G203 W204 L205 R209 V210 W211 I225 W228 L245	W178-L207 HydrophobicContact CE3-CD2 4.12Å; W178-L207 HydrophobicContact CE3-CG 4.41Å; W178-L207 HydrophobicContact CH2-CD2 4.35Å; W178-L207 HydrophobicContact CH2-CG 3.85Å; W178-L207 HydrophobicContact CZ3-CB 4.01Å; W178-L207 HydrophobicContact CZ3-CD2 3.7Å; W178-L207 HydrophobicContact CZ3-CG 3.51Å; G203-L207 PolarHBondContact O-N 3Å; G203-L207 VanDerWaalsContact O-N 3.08Å; W204-L207 HydrophobicContact CE3-CD2 4.11Å; W204-L207 HydrophobicContact CZ3-CD2 3.87Å; W204-L207 PolarHBondContact O-N 3.24Å; L205-L207 VanDerWaalsContact C-N 3.31Å; L205-L207 PolarHBondContact O-N 2.9Å; L207-R209 VanDerWaalsContact C-N 3.31Å; L207-R209 PolarHBondContact O-N 2.98Å; L207-V210 PolarHBondContact O-N 3.2Å; L207-W211 PolarHBondContact O-N 2.63Å; L207-I225 HydrophobicContact CD1-CG1 4.36Å; L207-W228 HydrophobicContact CB-CD2 4Å; L207-W228 HydrophobicContact CB-CG 4.17Å; L207-W228 HydrophobicContact CB-CZ2 4.03Å; L207-W228 HydrophobicContact CD1-CB 4.19Å; L207-W228 HydrophobicContact CD1-CD2 3.67Å; L207-W228 HydrophobicContact CD1-CE3 3.82Å; L207-W228 HydrophobicContact CD1-CG 3.78Å; L207-W228 HydrophobicContact CD1-CZ3 4.47Å; L207-W228 HydrophobicContact CD2-CD2 4.11Å; L207-W228 HydrophobicContact CD2-CE3 4Å; L207-W228 HydrophobicContact CD2-CH2 3.74Å; L207-W228 HydrophobicContact CD2-CZ2 3.85Å; L207-W228 HydrophobicContact CD2-CZ3 3.81Å; L207-W228 HydrophobicContact CG-CD2 4.12Å; L207-W228 HydrophobicContact CG-CE3 4.37Å; L207-W228 HydrophobicContact CG-CG 4.47Å; L207-W228 HydrophobicContact CG-CZ2 4.45Å; L207-L245 HydrophobicContact CD1-CD1 3.98Å; L207-L245 HydrophobicContact CD2-CD1 3.56Å; L207-L245 HydrophobicContact CG-CD1 3.92Å
208	Q	90.6	Very high	85.8	Confident	9 Å²	9	49.9 Å²	49.9	4%	0.042	24%	0.24	C	C	.	.	H	α-helix	trans	-60.8	-42.4	175	179.5	-95.7	10.4	0	0	110.8	L181 W204 L205 W211 F212	L181-Q208 HydrophobicContact CB-CB 4.29Å; L181-Q208 HydrophobicContact CB-CG 4.25Å; W204-Q208 PolarHBondContact O-N 3.38Å; L205-Q208 WeakPolarHBondContact O-CB 2.9Å; L205-Q208 PolarHBondContact O-N 3.46Å; Q208-W211 WeakPolarHBondContact O-CB 3.38Å; Q208-W211 PolarHBondContact O-N 3.25Å; Q208-W211 VanDerWaalsContact O-N 3.16Å; Q208-F212 VanDerWaalsContact CD-CD2 3.44Å; Q208-F212 HydrophobicContact CG-CD2 3.73Å; Q208-F212 HydrophobicContact CG-CE2 3.6Å; Q208-F212 VanDerWaalsContact NE2-CD2 3.29Å; Q208-F212 VanDerWaalsContact O-CD2 3.24Å; Q208-F212 WeakPolarHBondContact O-CD2 3.27Å; Q208-F212 PolarHBondContact O-N 3.5Å
209	R	88.5	Confident	85.3	Confident	160 Å²	160	53.4 Å²	53.4	60%	0.604	26%	0.26	S	S	*	.	H	α-helix	trans	-62.2	-48.4	174.3	-176	173.7	-177.7	163.3	3.1	112.3	L205 D206 L207 W211 F212 D213	L205-R209 PolarHBondContact O-N 2.86Å; D206-R209 PolarHBondContact O-N 2.89Å; L207-R209 VanDerWaalsContact C-N 3.31Å; L207-R209 PolarHBondContact O-N 2.98Å; R209-W211 PolarHBondContact O-N 2.77Å; R209-F212 PolarHBondContact O-N 3.46Å; R209-D213 WeakPolarHBondContact CG-OD2 3.31Å; R209-D213 IonicContact NE-OD2 2.95Å; R209-D213 WeakPolarHBondContact O-CB 3.43Å; R209-D213 VanDerWaalsContact O-CG 3.22Å; R209-D213 PolarHBondContact O-N 3.23Å
210	V	89.7	Confident	84.9	Confident	16 Å²	16	52.9 Å²	52.9	10%	0.097	26%	0.255	C	S	.	.	H	α-helix	trans	-53.5	-40.2	173.5	169.1	0	0	0	0	110.7	D206 L207 N214 M221	D206-V210 WeakPolarHBondContact O-CG2 3.24Å; D206-V210 PolarHBondContact O-N 3.48Å; L207-V210 PolarHBondContact O-N 3.2Å; V210-N214 WeakPolarHBondContact O-CB 3.37Å; V210-N214 PolarHBondContact O-N 3.25Å; V210-N214 VanDerWaalsContact O-N 3.13Å; V210-N214 PolarHBondContact O-ND2 2.99Å; V210-M221 HydrophobicContact CG1-SD 4.34Å
211	W	86.6	Confident	84.4	Confident	26 Å²	26	50.6 Å²	50.6	10%	0.098	24%	0.243	C	C	.	.	H	α-helix	trans	-65.4	-52.9	177.7	170.9	-101.7	0	0	0	112.7	W178 L207 Q208 R209 D213 N214 R215 M221 L245 V248	W178-W211 HydrophobicContact CH2-CB 3.58Å; W178-W211 AromaticContact CH2-CG 3.99Å; W178-W211 HydrophobicContact CH2-CG 3.99Å; W178-W211 HydrophobicContact CZ2-CB 3.78Å; W178-W211 AromaticContact CZ2-CD2 3.94Å; W178-W211 HydrophobicContact CZ2-CD2 3.94Å; W178-W211 HydrophobicContact CZ2-CE3 4.29Å; W178-W211 AromaticContact CZ2-CG 3.68Å; W178-W211 HydrophobicContact CZ2-CG 3.68Å; L207-W211 PolarHBondContact O-N 2.63Å; Q208-W211 WeakPolarHBondContact O-CB 3.38Å; Q208-W211 PolarHBondContact O-N 3.25Å; Q208-W211 VanDerWaalsContact O-N 3.16Å; R209-W211 PolarHBondContact O-N 2.77Å; W211-D213 VanDerWaalsContact C-N 3.29Å; W211-D213 PolarHBondContact O-N 3Å; W211-N214 PolarHBondContact O-N 3.48Å; W211-R215 HydrophobicContact CD2-CB 4.22Å; W211-R215 HydrophobicContact CE3-CB 4.44Å; W211-R215 HydrophobicContact CH2-CB 4.21Å; W211-R215 HydrophobicContact CZ2-CB 4.06Å; W211-R215 HydrophobicContact CZ3-CB 4.38Å; W211-R215 WeakPolarHBondContact O-CA 3.49Å; W211-R215 WeakPolarHBondContact O-CB 3.46Å; W211-R215 PolarHBondContact O-N 3.2Å; W211-M221 HydrophobicContact CB-CE 4.3Å; W211-M221 HydrophobicContact CD2-CE 3.76Å; W211-M221 HydrophobicContact CE3-CE 3.03Å; W211-M221 HydrophobicContact CE3-SD 3.69Å; W211-M221 HydrophobicContact CG-CE 4.32Å; W211-M221 HydrophobicContact CH2-CE 4.49Å; W211-M221 HydrophobicContact CZ3-CE 3.44Å; W211-M221 VanDerWaalsContact CZ3-CE 3.44Å; W211-M221 HydrophobicContact CZ3-SD 4.29Å; W211-M221 WeakPolarHBondContact O-CE 3.28Å; W211-L245 HydrophobicContact CE3-CD2 3.7Å; W211-L245 HydrophobicContact CZ3-CD2 4.13Å; W211-V248 HydrophobicContact CH2-CG2 4.34Å; W211-V248 HydrophobicContact CZ3-CG2 3.82Å
212	F	83	Confident	84	Confident	42 Å²	42	53 Å²	53	18%	0.184	25%	0.253	C	S	.	.	H	α-helix	trans	-62.7	-36.4	-179.1	-82.1	-71.6	0	0	0	113	M184 Q208 R209	M184-F212 WeakPolarHBondContact O-CZ 3.14Å; Q208-F212 VanDerWaalsContact CD-CD2 3.44Å; Q208-F212 HydrophobicContact CG-CD2 3.73Å; Q208-F212 HydrophobicContact CG-CE2 3.6Å; Q208-F212 VanDerWaalsContact NE2-CD2 3.29Å; Q208-F212 VanDerWaalsContact O-CD2 3.24Å; Q208-F212 WeakPolarHBondContact O-CD2 3.27Å; Q208-F212 PolarHBondContact O-N 3.5Å; R209-F212 PolarHBondContact O-N 3.46Å
213	D	85.1	Confident	83.9	Confident	94 Å²	94	52.4 Å²	52.4	50%	0.503	26%	0.26	S	S	.	.	H	α-helix	trans	-74.3	-31.9	-178.7	-66.2	-11.3	0	0	0	112.2	R209 W211	R209-D213 WeakPolarHBondContact CG-OD2 3.31Å; R209-D213 IonicContact NE-OD2 2.95Å; R209-D213 WeakPolarHBondContact O-CB 3.43Å; R209-D213 VanDerWaalsContact O-CG 3.22Å; R209-D213 PolarHBondContact O-N 3.23Å; W211-D213 VanDerWaalsContact C-N 3.29Å; W211-D213 PolarHBondContact O-N 3Å
214	N	82.8	Confident	83.8	Confident	32 Å²	32	53 Å²	53	17%	0.171	27%	0.267	C	S	.	.	H	α-helix	trans	-118.5	0.4	-170	-55.5	-76.2	0	0	0	115.2	V210 W211 N216 D217 M220 M221	V210-N214 WeakPolarHBondContact O-CB 3.37Å; V210-N214 PolarHBondContact O-N 3.25Å; V210-N214 VanDerWaalsContact O-N 3.13Å; V210-N214 PolarHBondContact O-ND2 2.99Å; W211-N214 PolarHBondContact O-N 3.48Å; N214-N216 PolarHBondContact O-N 3.41Å; N214-D217 CarbonylContact O-C 3.56Å; N214-D217 PolarHBondContact O-N 2.73Å; N214-M220 HydrophobicContact CB-CB 4.17Å; N214-M221 HydrophobicContact CB-CB 4.23Å; N214-M221 HydrophobicContact CB-CE 4.24Å
215	R	73.2	Confident	83.7	Confident	112 Å²	112	52.9 Å²	52.9	42%	0.423	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-21.9	-173	60.5	-179.3	-176.2	178.8	2.3	116	W211 M221	W211-R215 HydrophobicContact CD2-CB 4.22Å; W211-R215 HydrophobicContact CE3-CB 4.44Å; W211-R215 HydrophobicContact CH2-CB 4.21Å; W211-R215 HydrophobicContact CZ2-CB 4.06Å; W211-R215 HydrophobicContact CZ3-CB 4.38Å; W211-R215 WeakPolarHBondContact O-CA 3.49Å; W211-R215 WeakPolarHBondContact O-CB 3.46Å; W211-R215 PolarHBondContact O-N 3.2Å; R215-M221 HydrophobicContact CB-CE 3.88Å; R215-M221 VanDerWaalsContact N-CE 3.33Å
216	N	64.6	Low	83.7	Confident	136 Å²	136	54.1 Å²	54.1	73%	0.727	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-5.5	177.7	-65	-19.6	0	0	0	113.2	N214	N214-N216 PolarHBondContact O-N 3.41Å
217	D	72.8	Confident	83.8	Confident	71 Å²	71	56.4 Å²	56.4	38%	0.38	29%	0.291	S	S	.	.			trans	-127.5	99.1	178.6	-174.9	-29.9	0	0	0	109.7	N214 D219 M220 M221	N214-D217 CarbonylContact O-C 3.56Å; N214-D217 PolarHBondContact O-N 2.73Å; D217-D219 VanDerWaalsContact C-N 3.25Å; D217-D219 PolarHBondContact O-N 3.33Å; D217-D219 PolarHBondContact OD1-N 2.95Å; D217-D219 VanDerWaalsContact OD1-N 3.07Å; D217-M220 HydrophobicContact CB-CB 3.91Å; D217-M220 HydrophobicContact CB-CG 4.16Å; D217-M220 VanDerWaalsContact CG-CG 3.43Å; D217-M220 PolarHBondContact O-N 2.94Å; D217-M220 PolarHBondContact OD1-N 3.25Å; D217-M220 VanDerWaalsContact OD2-CG 3.22Å; D217-M220 WeakPolarHBondContact OD2-CG 3.31Å; D217-M221 WeakPolarHBondContact O-CB 3.35Å; D217-M221 PolarHBondContact O-N 3.23Å
218	P	69	Low	83.9	Confident	23 Å²	23	56.3 Å²	56.3	15%	0.149	29%	0.291	C	S	.	.	H	α-helix	trans	-59.9	-31.3	-176.6	-25.8	35.3	0	0	0	114.4	K222	P218-K222 WeakPolarHBondContact O-CB 3.45Å; P218-K222 WeakPolarHBondContact O-CG 3.14Å; P218-K222 PolarHBondContact O-N 3.27Å
219	D	75.4	Confident	84.1	Confident	111 Å²	111	58.3 Å²	58.3	59%	0.594	30%	0.3	S	S	*	.	H	α-helix	trans	-78.4	-42.6	-177.6	-71.3	-26.9	0	0	0	110.3	D217 M221 K222 A223	D217-D219 VanDerWaalsContact C-N 3.25Å; D217-D219 PolarHBondContact O-N 3.33Å; D217-D219 PolarHBondContact OD1-N 2.95Å; D217-D219 VanDerWaalsContact OD1-N 3.07Å; D219-M221 VanDerWaalsContact C-N 3.31Å; D219-M221 PolarHBondContact O-N 3.11Å; D219-K222 PolarHBondContact O-N 2.88Å; D219-K222 IonicContact OD1-NZ 2.76Å; D219-A223 WeakPolarHBondContact O-CB 3.46Å; D219-A223 PolarHBondContact O-N 3.35Å
220	M	82.8	Confident	84.4	Confident	102 Å²	102	58.8 Å²	58.8	50%	0.502	31%	0.306	S	S	.	.	H	α-helix	trans	-62.8	-37.5	170.5	-70.5	-70	-75.9	0	0	111.8	N214 D217 A223 G224	N214-M220 HydrophobicContact CB-CB 4.17Å; D217-M220 HydrophobicContact CB-CB 3.91Å; D217-M220 HydrophobicContact CB-CG 4.16Å; D217-M220 VanDerWaalsContact CG-CG 3.43Å; D217-M220 PolarHBondContact O-N 2.94Å; D217-M220 PolarHBondContact OD1-N 3.25Å; D217-M220 VanDerWaalsContact OD2-CG 3.22Å; D217-M220 WeakPolarHBondContact OD2-CG 3.31Å; M220-A223 PolarHBondContact O-N 3.45Å; M220-G224 PolarHBondContact O-N 3.34Å
221	M	84	Confident	84.6	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-63.7	-46.5	173.9	-178.4	68.3	72.9	0	0	111.8	V210 W211 N214 R215 D217 D219 A223 G224 I225 V248	V210-M221 HydrophobicContact CG1-SD 4.34Å; W211-M221 HydrophobicContact CB-CE 4.3Å; W211-M221 HydrophobicContact CD2-CE 3.76Å; W211-M221 HydrophobicContact CE3-CE 3.03Å; W211-M221 HydrophobicContact CE3-SD 3.69Å; W211-M221 HydrophobicContact CG-CE 4.32Å; W211-M221 HydrophobicContact CH2-CE 4.49Å; W211-M221 HydrophobicContact CZ3-CE 3.44Å; W211-M221 VanDerWaalsContact CZ3-CE 3.44Å; W211-M221 HydrophobicContact CZ3-SD 4.29Å; W211-M221 WeakPolarHBondContact O-CE 3.28Å; N214-M221 HydrophobicContact CB-CB 4.23Å; N214-M221 HydrophobicContact CB-CE 4.24Å; R215-M221 HydrophobicContact CB-CE 3.88Å; R215-M221 VanDerWaalsContact N-CE 3.33Å; D217-M221 WeakPolarHBondContact O-CB 3.35Å; D217-M221 PolarHBondContact O-N 3.23Å; D219-M221 VanDerWaalsContact C-N 3.31Å; D219-M221 PolarHBondContact O-N 3.11Å; M221-A223 VanDerWaalsContact C-N 3.31Å; M221-A223 PolarHBondContact O-N 3.23Å; M221-G224 PolarHBondContact O-N 2.79Å; M221-I225 HydrophobicContact CG-CD1 3.72Å; M221-I225 HydrophobicContact CG-CG1 4.27Å; M221-I225 VanDerWaalsContact O-CG1 3.25Å; M221-I225 WeakPolarHBondContact O-CG1 3.35Å; M221-I225 PolarHBondContact O-N 2.86Å; M221-I225 HydrophobicContact SD-CD1 4.03Å; M221-I225 HydrophobicContact SD-CG1 4.1Å; M221-V248 HydrophobicContact CB-CG1 4.15Å; M221-V248 HydrophobicContact CG-CG1 3.59Å
222	K	84.3	Confident	85	Confident	54 Å²	54	64.4 Å²	64.4	24%	0.235	33%	0.326	C	S	.	.	H	α-helix	trans	-59.1	-45	177.2	-78	168.4	-170.6	171.2	0	111.3	P218 D219 A226 V248 K249 F251	P218-K222 WeakPolarHBondContact O-CB 3.45Å; P218-K222 WeakPolarHBondContact O-CG 3.14Å; P218-K222 PolarHBondContact O-N 3.27Å; D219-K222 PolarHBondContact O-N 2.88Å; D219-K222 IonicContact OD1-NZ 2.76Å; K222-A226 WeakPolarHBondContact O-CB 3.4Å; K222-A226 PolarHBondContact O-N 3.27Å; K222-A226 VanDerWaalsContact O-N 3.07Å; K222-V248 WeakPolarHBondContact CE-O 3.47Å; K222-K249 WeakPolarHBondContact CE-O 3.49Å; K222-F251 PolarHBondContact NZ-O 2.88Å
223	A	88.3	Confident	85.6	Confident	58 Å²	58	66 Å²	66	48%	0.479	34%	0.341	S	S	.	.	H	α-helix	trans	-62.7	-46.1	176	0	0	0	0	0	111.5	D219 M220 M221 I225 A226 D227	D219-A223 WeakPolarHBondContact O-CB 3.46Å; D219-A223 PolarHBondContact O-N 3.35Å; M220-A223 PolarHBondContact O-N 3.45Å; M221-A223 VanDerWaalsContact C-N 3.31Å; M221-A223 PolarHBondContact O-N 3.23Å; A223-I225 PolarHBondContact O-N 3.4Å; A223-A226 PolarHBondContact O-N 3.04Å; A223-D227 PolarHBondContact O-N 2.74Å
224	G	90.9	Very high	85.9	Confident	13 Å²	13	67.5 Å²	67.5	13%	0.134	35%	0.349	C	S	.	.	H	α-helix	trans	-61.9	-42.3	178.6	0	0	0	0	0	113.4	M220 M221 D227 W228	M220-G224 PolarHBondContact O-N 3.34Å; M221-G224 PolarHBondContact O-N 2.79Å; G224-D227 PolarHBondContact O-N 3.07Å; G224-W228 VanDerWaalsContact O-CB 3.3Å; G224-W228 WeakPolarHBondContact O-CB 3.49Å; G224-W228 PolarHBondContact O-N 3.25Å
225	I	90.5	Very high	86.4	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-65.7	-40.7	175.3	-61.9	161.1	0	0	0	110.4	L207 M221 A223 W228 Q229 L241 L245 K249	L207-I225 HydrophobicContact CD1-CG1 4.36Å; M221-I225 HydrophobicContact CG-CD1 3.72Å; M221-I225 HydrophobicContact CG-CG1 4.27Å; M221-I225 VanDerWaalsContact O-CG1 3.25Å; M221-I225 WeakPolarHBondContact O-CG1 3.35Å; M221-I225 PolarHBondContact O-N 2.86Å; M221-I225 HydrophobicContact SD-CD1 4.03Å; M221-I225 HydrophobicContact SD-CG1 4.1Å; A223-I225 PolarHBondContact O-N 3.4Å; I225-W228 PolarHBondContact O-N 2.86Å; I225-Q229 WeakPolarHBondContact O-CG 3.21Å; I225-Q229 PolarHBondContact O-N 2.99Å; I225-L241 HydrophobicContact CG2-CD1 4.24Å; I225-L241 HydrophobicContact CG2-CD2 3.79Å; I225-L245 HydrophobicContact CD1-CB 4.2Å; I225-L245 HydrophobicContact CD1-CD2 4.04Å; I225-K249 HydrophobicContact CD1-CG 4.49Å
226	A	91.5	Very high	87.3	Confident	41 Å²	41	61.7 Å²	61.7	34%	0.339	33%	0.327	S	S	.	.	H	α-helix	trans	-66.1	-39.1	178.4	0	0	0	0	0	112.4	K222 A223 K230	K222-A226 WeakPolarHBondContact O-CB 3.4Å; K222-A226 PolarHBondContact O-N 3.27Å; K222-A226 VanDerWaalsContact O-N 3.07Å; A223-A226 PolarHBondContact O-N 3.04Å; A226-K230 WeakPolarHBondContact O-CG 3.34Å; A226-K230 PolarHBondContact O-N 3.24Å
227	D	93.3	Very high	88.6	Confident	81 Å²	81	55.2 Å²	55.2	43%	0.433	29%	0.292	S	S	.	.	H	α-helix	trans	-63.1	-48.5	171.6	179.2	73.3	0	0	0	111.3	A223 G224 Q229 K230 R231	A223-D227 PolarHBondContact O-N 2.74Å; G224-D227 PolarHBondContact O-N 3.07Å; D227-Q229 PolarHBondContact O-N 2.78Å; D227-K230 WeakPolarHBondContact O-CB 3.43Å; D227-K230 PolarHBondContact O-N 3.01Å; D227-R231 PolarHBondContact O-N 2.78Å; D227-R231 IonicContact OD2-CZ 3.69Å; D227-R231 IonicContact OD2-NE 3.46Å; D227-R231 PolarHBondContact OD2-NE 3.38Å; D227-R231 IonicContact OD2-NH2 2.72Å
228	W	94.9	Very high	89.6	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-57.1	-44.7	178.9	175.2	84.6	0	0	0	113	G203 L207 G224 I225 K230 R231 Y232 N235 A238 L241	G203-W228 PolarHBondContact O-NE1 2.78Å; L207-W228 HydrophobicContact CB-CD2 4Å; L207-W228 HydrophobicContact CB-CG 4.17Å; L207-W228 HydrophobicContact CB-CZ2 4.03Å; L207-W228 HydrophobicContact CD1-CB 4.19Å; L207-W228 HydrophobicContact CD1-CD2 3.67Å; L207-W228 HydrophobicContact CD1-CE3 3.82Å; L207-W228 HydrophobicContact CD1-CG 3.78Å; L207-W228 HydrophobicContact CD1-CZ3 4.47Å; L207-W228 HydrophobicContact CD2-CD2 4.11Å; L207-W228 HydrophobicContact CD2-CE3 4Å; L207-W228 HydrophobicContact CD2-CH2 3.74Å; L207-W228 HydrophobicContact CD2-CZ2 3.85Å; L207-W228 HydrophobicContact CD2-CZ3 3.81Å; L207-W228 HydrophobicContact CG-CD2 4.12Å; L207-W228 HydrophobicContact CG-CE3 4.37Å; L207-W228 HydrophobicContact CG-CG 4.47Å; L207-W228 HydrophobicContact CG-CZ2 4.45Å; G224-W228 VanDerWaalsContact O-CB 3.3Å; G224-W228 WeakPolarHBondContact O-CB 3.49Å; G224-W228 PolarHBondContact O-N 3.25Å; I225-W228 PolarHBondContact O-N 2.86Å; W228-K230 PolarHBondContact O-N 3.34Å; W228-R231 PolarHBondContact O-N 3.44Å; W228-R231 VanDerWaalsContact O-N 3.07Å; W228-Y232 AromaticContact CD1-CD2 3.54Å; W228-Y232 AromaticContact CD1-CE2 3.93Å; W228-Y232 HydrophobicContact CG-CD2 4.28Å; W228-Y232 AromaticContact NE1-CD2 3.32Å; W228-Y232 VanDerWaalsContact NE1-CD2 3.32Å; W228-Y232 AromaticContact NE1-CE2 3.89Å; W228-Y232 PolarHBondContact O-N 3.13Å; W228-N235 HydrophobicContact CH2-CB 4.14Å; W228-N235 HydrophobicContact CZ2-CB 4.11Å; W228-A238 HydrophobicContact CH2-CB 4.05Å; W228-A238 HydrophobicContact CZ3-CB 3.86Å; W228-L241 HydrophobicContact CZ3-CD2 4.32Å
229	Q	94.7	Very high	90.6	Very high	50 Å²	50	58.7 Å²	58.7	23%	0.234	30%	0.304	C	S	.	.	H	α-helix	trans	-61.3	-30.5	177.3	-75.2	-175.4	-67.7	0	0	112.8	I225 D227 A238	I225-Q229 WeakPolarHBondContact O-CG 3.21Å; I225-Q229 PolarHBondContact O-N 2.99Å; D227-Q229 PolarHBondContact O-N 2.78Å; Q229-A238 HydrophobicContact CB-CB 4.46Å; Q229-A238 HydrophobicContact CG-CB 4.21Å; Q229-A238 PolarHBondContact NE2-O 2.83Å
230	K	94.1	Very high	91.3	Very high	170 Å²	170	56.5 Å²	56.5	74%	0.739	29%	0.291	S	S	*	.	H	α-helix	trans	-73.8	-36.6	174.3	-68.2	174.1	-178.1	177.3	0	112	A226 D227 W228	A226-K230 WeakPolarHBondContact O-CG 3.34Å; A226-K230 PolarHBondContact O-N 3.24Å; D227-K230 WeakPolarHBondContact O-CB 3.43Å; D227-K230 PolarHBondContact O-N 3.01Å; W228-K230 PolarHBondContact O-N 3.34Å
231	R	94.6	Very high	91.6	Very high	112 Å²	112	52.5 Å²	52.5	42%	0.423	27%	0.272	S	S	.	.	H	α-helix	trans	-72	-33.1	178	-66.6	-165.9	-70.7	125.4	-0.1	112.7	D206 D227 W228 P233	D206-R231 IonicContact OD2-CZ 3.27Å; D206-R231 IonicContact OD2-NH1 3.36Å; D206-R231 PolarHBondContact OD2-NH1 2.75Å; D206-R231 IonicContact OD2-NH2 3.72Å; D227-R231 PolarHBondContact O-N 2.78Å; D227-R231 IonicContact OD2-CZ 3.69Å; D227-R231 IonicContact OD2-NE 3.46Å; D227-R231 PolarHBondContact OD2-NE 3.38Å; D227-R231 IonicContact OD2-NH2 2.72Å; W228-R231 PolarHBondContact O-N 3.44Å; W228-R231 VanDerWaalsContact O-N 3.07Å; R231-P233 VanDerWaalsContact C-CD 3.46Å; R231-P233 WeakPolarHBondContact O-CD 3.37Å
232	Y	95.4	Very high	91.8	Very high	49 Å²	49	52.4 Å²	52.4	19%	0.192	27%	0.271	C	S	.	.			trans	-126	58.8	-175.8	-60.1	-82.8	0	0	0	113.8	G203 D206 W228 N234 N235 A238	G203-Y232 VanDerWaalsContact CA-CD1 3.48Å; G203-Y232 VanDerWaalsContact CA-CE1 3.5Å; D206-Y232 HydrophobicContact CB-CE2 3.83Å; D206-Y232 VanDerWaalsContact CG-OH 3.31Å; D206-Y232 PolarHBondContact OD2-OH 3.25Å; W228-Y232 AromaticContact CD1-CD2 3.54Å; W228-Y232 AromaticContact CD1-CE2 3.93Å; W228-Y232 HydrophobicContact CG-CD2 4.28Å; W228-Y232 AromaticContact NE1-CD2 3.32Å; W228-Y232 VanDerWaalsContact NE1-CD2 3.32Å; W228-Y232 AromaticContact NE1-CE2 3.89Å; W228-Y232 PolarHBondContact O-N 3.13Å; Y232-N234 PolarHBondContact O-N 3.21Å; Y232-N234 VanDerWaalsContact O-N 3.11Å; Y232-N235 WeakPolarHBondContact O-CB 3.48Å; Y232-N235 PolarHBondContact O-N 3.38Å; Y232-A238 WeakPolarHBondContact O-CB 3.23Å
233	P	94.5	Very high	91.6	Very high	76 Å²	76	52.2 Å²	52.2	49%	0.494	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.8	-173.5	27.1	-36	0	0	0	114	R231	R231-P233 VanDerWaalsContact C-CD 3.46Å; R231-P233 WeakPolarHBondContact O-CD 3.37Å
234	N	92	Very high	90.9	Very high	124 Å²	124	52.3 Å²	52.3	66%	0.663	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-9.1	179.1	-69.3	-29.4	0	0	0	113.7	Y232	Y232-N234 PolarHBondContact O-N 3.21Å; Y232-N234 VanDerWaalsContact O-N 3.11Å
235	N	94	Very high	90.5	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.011	26%	0.259	C	S	.	.	S	Bend	trans	-68	134.7	178.3	-171.5	-56.6	0	0	0	110.2	I200 W204 W228 Y232 G237 A238 K239	I200-N235 PolarHBondContact O-ND2 3.24Å; W204-N235 PolarHBondContact NE1-OD1 2.77Å; W228-N235 HydrophobicContact CH2-CB 4.14Å; W228-N235 HydrophobicContact CZ2-CB 4.11Å; Y232-N235 WeakPolarHBondContact O-CB 3.48Å; Y232-N235 PolarHBondContact O-N 3.38Å; N235-G237 PolarHBondContact O-N 3.05Å; N235-G237 PolarHBondContact OD1-N 2.89Å; N235-A238 HydrophobicContact CB-CB 4.36Å; N235-A238 WeakPolarHBondContact O-CB 3.46Å; N235-A238 PolarHBondContact O-N 3.09Å; N235-K239 PolarHBondContact O-N 3.19Å
236	P	92.8	Very high	90.1	Very high	20 Å²	20	54.9 Å²	54.9	13%	0.13	28%	0.278	C	S	.	.	H	α-helix	trans	-50.6	-40.1	175.2	-28.5	35	0	0	0	113.1	E162 I174 I200 A238 K239 M240	E162-P236 HydrophobicContact CG-CB 4.03Å; E162-P236 HydrophobicContact CG-CG 4.12Å; I174-P236 HydrophobicContact CD1-CB 4.13Å; I174-P236 HydrophobicContact CG1-CB 4.3Å; I200-P236 HydrophobicContact CG2-CG 4.48Å; P236-A238 PolarHBondContact O-N 3.24Å; P236-K239 PolarHBondContact O-N 2.96Å; P236-M240 PolarHBondContact O-N 3.47Å
237	G	91.5	Very high	88.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.5	-21.9	176	0	0	0	0	0	114.4	N235 M240 L241	N235-G237 PolarHBondContact O-N 3.05Å; N235-G237 PolarHBondContact OD1-N 2.89Å; G237-M240 CarbonylContact C-O 3.54Å; G237-M240 VanDerWaalsContact CA-O 3.3Å; G237-M240 WeakPolarHBondContact CA-O 3.48Å; G237-M240 CarbonylContact O-C 3.46Å; G237-L241 VanDerWaalsContact O-CA 3.28Å; G237-L241 WeakPolarHBondContact O-CA 3.42Å; G237-L241 VanDerWaalsContact O-CD2 3.31Å; G237-L241 WeakPolarHBondContact O-CD2 3.36Å; G237-L241 PolarHBondContact O-N 3.09Å
238	A	93.2	Very high	87.8	Confident	13 Å²	13	51.5 Å²	51.5	11%	0.107	26%	0.255	C	S	.	.	H	α-helix	trans	-80.6	-34	175.8	0	0	0	0	0	111.9	W228 Q229 Y232 N235 P236	W228-A238 HydrophobicContact CH2-CB 4.05Å; W228-A238 HydrophobicContact CZ3-CB 3.86Å; Q229-A238 HydrophobicContact CB-CB 4.46Å; Q229-A238 HydrophobicContact CG-CB 4.21Å; Q229-A238 PolarHBondContact NE2-O 2.83Å; Y232-A238 WeakPolarHBondContact O-CB 3.23Å; N235-A238 HydrophobicContact CB-CB 4.36Å; N235-A238 WeakPolarHBondContact O-CB 3.46Å; N235-A238 PolarHBondContact O-N 3.09Å; P236-A238 PolarHBondContact O-N 3.24Å
239	K	90.8	Very high	86.5	Confident	155 Å²	155	55 Å²	55	67%	0.674	27%	0.27	S	S	*	.	H	α-helix	trans	-77.3	-41.9	176.2	-63.6	176.5	-178	171.3	0	111.8	N235 P236	N235-K239 PolarHBondContact O-N 3.19Å; P236-K239 PolarHBondContact O-N 2.96Å
240	M	89.3	Confident	85.2	Confident	64 Å²	64	55.7 Å²	55.7	32%	0.315	28%	0.284	S	S	.	.	S	Bend	trans	-131.1	101.5	177.3	-70.4	175.3	62.7	0	0	107.8	Q171 I174 P236 G237	Q171-M240 HydrophobicContact CB-CE 3.81Å; Q171-M240 HydrophobicContact CG-CE 4.49Å; I174-M240 HydrophobicContact CD1-CB 3.65Å; I174-M240 WeakPolarHBondContact CG2-O 3.49Å; P236-M240 PolarHBondContact O-N 3.47Å; G237-M240 CarbonylContact C-O 3.54Å; G237-M240 VanDerWaalsContact CA-O 3.3Å; G237-M240 WeakPolarHBondContact CA-O 3.48Å; G237-M240 CarbonylContact O-C 3.46Å
241	L	89.6	Confident	83.5	Confident	19 Å²	19	48 Å²	48	10%	0.099	25%	0.251	C	S	.	.			trans	-64.8	145	-179.8	-81.2	164.8	0	0	0	110.7	Q171 I225 W228 G237 T243 L245 V246 K249	Q171-L241 PolarHBondContact NE2-O 3.29Å; Q171-L241 VanDerWaalsContact NE2-O 3.11Å; I225-L241 HydrophobicContact CG2-CD1 4.24Å; I225-L241 HydrophobicContact CG2-CD2 3.79Å; W228-L241 HydrophobicContact CZ3-CD2 4.32Å; G237-L241 VanDerWaalsContact O-CA 3.28Å; G237-L241 WeakPolarHBondContact O-CA 3.42Å; G237-L241 VanDerWaalsContact O-CD2 3.31Å; G237-L241 WeakPolarHBondContact O-CD2 3.36Å; G237-L241 PolarHBondContact O-N 3.09Å; L241-T243 PolarHBondContact O-N 2.98Å; L241-L245 HydrophobicContact CD2-CB 4.36Å; L241-L245 HydrophobicContact CD2-CD1 4.35Å; L241-V246 HydrophobicContact CB-CG2 3.61Å; L241-K249 HydrophobicContact CD1-CD 3.86Å
242	P	88.6	Confident	81.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.266	C	S	.	.			trans	-50.4	137.5	165.5	-25.7	32.9	0	0	0	110.6	I174 D175 W178 W204 Q244 L245 V246	I174-P242 HydrophobicContact CG2-CB 4.37Å; I174-P242 HydrophobicContact CG2-CG 3.92Å; D175-P242 VanDerWaalsContact OD1-CA 3.31Å; D175-P242 WeakPolarHBondContact OD1-CA 2.79Å; W178-P242 HydrophobicContact CB-CB 3.6Å; W178-P242 HydrophobicContact CB-CG 3.6Å; W178-P242 HydrophobicContact CD2-CB 4.22Å; W178-P242 HydrophobicContact CD2-CG 4Å; W178-P242 HydrophobicContact CE3-CG 4.31Å; W178-P242 HydrophobicContact CG-CB 3.54Å; W178-P242 HydrophobicContact CG-CG 3.68Å; W204-P242 HydrophobicContact CH2-CG 3.73Å; W204-P242 HydrophobicContact CZ3-CG 3.75Å; P242-Q244 PolarHBondContact O-N 3.08Å; P242-L245 HydrophobicContact CB-CG 4.35Å; P242-L245 HydrophobicContact CG-CD1 4.12Å; P242-L245 HydrophobicContact CG-CG 4.48Å; P242-L245 WeakPolarHBondContact O-CA 3.45Å; P242-L245 PolarHBondContact O-N 3.27Å; P242-V246 PolarHBondContact O-N 3.08Å
243	T	78.9	Confident	80	Confident	49 Å²	49	52.3 Å²	52.3	30%	0.301	28%	0.282	S	S	.	.	H	α-helix	trans	-52.2	-37.6	-177.6	-59	0	0	0	0	111	D175 L241 L245 V246 N247	D175-T243 PolarHBondContact OD1-N 2.93Å; D175-T243 PolarHBondContact OD1-OG1 2.84Å; D175-T243 WeakPolarHBondContact OD2-CB 3.28Å; D175-T243 PolarHBondContact OD2-OG1 2.84Å; L241-T243 PolarHBondContact O-N 2.98Å; T243-L245 VanDerWaalsContact C-N 3.35Å; T243-L245 PolarHBondContact O-N 3.48Å; T243-V246 PolarHBondContact O-N 2.98Å; T243-N247 PolarHBondContact O-N 2.78Å; T243-N247 PolarHBondContact O-ND2 3.46Å; T243-N247 PolarHBondContact O-OD1 2.88Å
244	Q	73.7	Confident	78.1	Confident	60 Å²	60	49.2 Å²	49.2	28%	0.28	26%	0.263	S	S	.	.	H	α-helix	trans	-59	-41.2	175.5	-62.4	-177.4	21.8	0	0	113.1	W178 P242 N247 V248	W178-Q244 VanDerWaalsContact CD1-OE1 3.3Å; W178-Q244 VanDerWaalsContact NE1-OE1 3.1Å; P242-Q244 PolarHBondContact O-N 3.08Å; Q244-N247 WeakPolarHBondContact O-CB 3.09Å; Q244-N247 PolarHBondContact O-N 2.74Å; Q244-V248 WeakPolarHBondContact O-CG2 3.02Å; Q244-V248 PolarHBondContact O-N 3.11Å
245	L	83.6	Confident	76.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-79.7	-31.3	-179.3	-63.5	-175.4	0	0	0	112.5	W178 L207 W211 I225 L241 P242 T243 N247 V248 K249	W178-L245 HydrophobicContact CD2-CD1 4.28Å; W178-L245 HydrophobicContact CD2-CG 4.49Å; W178-L245 HydrophobicContact CE3-CD1 4.36Å; W178-L245 HydrophobicContact CH2-CD1 3.99Å; W178-L245 HydrophobicContact CH2-CD2 4.29Å; W178-L245 HydrophobicContact CZ2-CD1 3.91Å; W178-L245 HydrophobicContact CZ2-CD2 3.61Å; W178-L245 HydrophobicContact CZ2-CG 3.95Å; W178-L245 HydrophobicContact CZ3-CD1 4.24Å; L207-L245 HydrophobicContact CD1-CD1 3.98Å; L207-L245 HydrophobicContact CD2-CD1 3.56Å; L207-L245 HydrophobicContact CG-CD1 3.92Å; W211-L245 HydrophobicContact CE3-CD2 3.7Å; W211-L245 HydrophobicContact CZ3-CD2 4.13Å; I225-L245 HydrophobicContact CD1-CB 4.2Å; I225-L245 HydrophobicContact CD1-CD2 4.04Å; L241-L245 HydrophobicContact CD2-CB 4.36Å; L241-L245 HydrophobicContact CD2-CD1 4.35Å; P242-L245 HydrophobicContact CB-CG 4.35Å; P242-L245 HydrophobicContact CG-CD1 4.12Å; P242-L245 HydrophobicContact CG-CG 4.48Å; P242-L245 WeakPolarHBondContact O-CA 3.45Å; P242-L245 PolarHBondContact O-N 3.27Å; T243-L245 VanDerWaalsContact C-N 3.35Å; T243-L245 PolarHBondContact O-N 3.48Å; L245-N247 PolarHBondContact O-N 3.17Å; L245-V248 PolarHBondContact O-N 2.77Å; L245-K249 PolarHBondContact O-N 3.05Å
246	V	81.3	Confident	75.2	Confident	68 Å²	68	47.3 Å²	47.3	41%	0.412	26%	0.258	S	S	.	.	H	α-helix	trans	-57.6	-43.8	168.2	178.6	0	0	0	0	109.9	L241 P242 T243 V248 K249 A250	L241-V246 HydrophobicContact CB-CG2 3.61Å; P242-V246 PolarHBondContact O-N 3.08Å; T243-V246 PolarHBondContact O-N 2.98Å; V246-V248 VanDerWaalsContact C-N 3.3Å; V246-V248 PolarHBondContact O-N 3.31Å; V246-K249 PolarHBondContact O-N 2.84Å; V246-A250 PolarHBondContact O-N 3.01Å
247	N	66.7	Low	74.3	Confident	35 Å²	35	50.9 Å²	50.9	19%	0.187	28%	0.276	C	S	.	.	H	α-helix	trans	-60.9	-40.2	178.7	-63.5	-18.2	0	0	0	111.8	T243 Q244 L245 A250 F251 V417	T243-N247 PolarHBondContact O-N 2.78Å; T243-N247 PolarHBondContact O-ND2 3.46Å; T243-N247 PolarHBondContact O-OD1 2.88Å; Q244-N247 WeakPolarHBondContact O-CB 3.09Å; Q244-N247 PolarHBondContact O-N 2.74Å; L245-N247 PolarHBondContact O-N 3.17Å; N247-A250 PolarHBondContact O-N 2.95Å; N247-F251 VanDerWaalsContact O-CB 3.31Å; N247-F251 WeakPolarHBondContact O-CB 3.47Å; N247-F251 PolarHBondContact O-N 3.34Å; N247-V417 HydrophobicContact CB-CG1 4.05Å; N247-V417 HydrophobicContact CB-CG2 4.36Å; N247-V417 WeakPolarHBondContact OD1-CG2 3.3Å
248	V	68.7	Low	74.1	Confident	16 Å²	16	54.4 Å²	54.4	10%	0.097	29%	0.292	C	S	.	.	H	α-helix	trans	-68.5	-37.7	178.5	-179.6	0	0	0	0	111.7	W211 M221 K222 Q244 L245 V246 A250 F251	W211-V248 HydrophobicContact CH2-CG2 4.34Å; W211-V248 HydrophobicContact CZ3-CG2 3.82Å; M221-V248 HydrophobicContact CB-CG1 4.15Å; M221-V248 HydrophobicContact CG-CG1 3.59Å; K222-V248 WeakPolarHBondContact CE-O 3.47Å; Q244-V248 WeakPolarHBondContact O-CG2 3.02Å; Q244-V248 PolarHBondContact O-N 3.11Å; L245-V248 PolarHBondContact O-N 2.77Å; V246-V248 VanDerWaalsContact C-N 3.3Å; V246-V248 PolarHBondContact O-N 3.31Å; V248-A250 VanDerWaalsContact C-N 3.34Å; V248-A250 PolarHBondContact O-N 2.99Å; V248-F251 WeakPolarHBondContact O-CB 3.48Å; V248-F251 PolarHBondContact O-N 3.28Å
249	K	69.5	Low	73.9	Confident	73 Å²	73	53.8 Å²	53.8	32%	0.317	29%	0.287	S	S	.	.	H	α-helix	trans	-62.6	-40.6	173.3	-75.5	-168.9	175.3	-169.5	0	112.7	K222 I225 L241 L245 V246 F251	K222-K249 WeakPolarHBondContact CE-O 3.49Å; I225-K249 HydrophobicContact CD1-CG 4.49Å; L241-K249 HydrophobicContact CD1-CD 3.86Å; L245-K249 PolarHBondContact O-N 3.05Å; V246-K249 PolarHBondContact O-N 2.84Å; K249-F251 VanDerWaalsContact C-N 3.32Å
250	A	65.9	Low	74.1	Confident	64 Å²	64	46.4 Å²	46.4	53%	0.529	26%	0.255	S	S	.	.	H	α-helix	trans	-76.8	-19.4	178.6	0	0	0	0	0	113.3	V246 N247 V248 K252 V417	V246-A250 PolarHBondContact O-N 3.01Å; N247-A250 PolarHBondContact O-N 2.95Å; V248-A250 VanDerWaalsContact C-N 3.34Å; V248-A250 PolarHBondContact O-N 2.99Å; A250-K252 PolarHBondContact O-N 3.3Å; A250-V417 HydrophobicContact CB-CG1 4.46Å
251	F	58.2	Low	74.5	Confident	10 Å²	10	43.4 Å²	43.4	4%	0.044	24%	0.24	C	C	.	.			trans	-66.6	128.5	-172.4	-175.8	-97.7	0	0	0	112.6	K222 N247 V248 K249 P253 S635 Q639	K222-F251 PolarHBondContact NZ-O 2.88Å; N247-F251 VanDerWaalsContact O-CB 3.31Å; N247-F251 WeakPolarHBondContact O-CB 3.47Å; N247-F251 PolarHBondContact O-N 3.34Å; V248-F251 WeakPolarHBondContact O-CB 3.48Å; V248-F251 PolarHBondContact O-N 3.28Å; K249-F251 VanDerWaalsContact C-N 3.32Å; F251-P253 HydrophobicContact CD1-CG 4.49Å; F251-P253 VanDerWaalsContact CE1-CA 3.42Å; F251-P253 HydrophobicContact CE1-CB 4.12Å; F251-P253 HydrophobicContact CE1-CG 3.99Å; F251-S635 WeakPolarHBondContact CZ-OG 3.18Å; F251-Q639 VanDerWaalsContact CD1-NE2 3.26Å
252	K	60.5	Low	74.8	Confident	167 Å²	167	42.5 Å²	42.5	73%	0.726	24%	0.235	S	C	*	.			trans	-112.3	123.7	164.7	-70.5	-174.6	179.3	-179	0	108	A250 A254 N403	A250-K252 PolarHBondContact O-N 3.3Å; K252-A254 PolarHBondContact O-N 3.22Å; K252-N403 PolarHBondContact O-ND2 2.92Å
253	P	56.7	Low	75.2	Confident	83 Å²	83	42.5 Å²	42.5	54%	0.539	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-51.1	127.1	176.2	-23.2	31.3	0	0	0	110.6	F251 S255	F251-P253 HydrophobicContact CD1-CG 4.49Å; F251-P253 VanDerWaalsContact CE1-CA 3.42Å; F251-P253 HydrophobicContact CE1-CB 4.12Å; F251-P253 HydrophobicContact CE1-CG 3.99Å; P253-S255 PolarHBondContact O-N 2.97Å
254	A	55.4	Low	76	Confident	11 Å²	11	40.2 Å²	40.2	9%	0.091	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-66.8	123.4	170.1	0	0	0	0	0	108	K252 T256 I382 N403	K252-A254 PolarHBondContact O-N 3.22Å; A254-T256 PolarHBondContact O-N 3.1Å; A254-I382 HydrophobicContact CB-CB 4.4Å; A254-N403 HydrophobicContact CB-CB 4.41Å; A254-N403 WeakPolarHBondContact CB-ND2 3.41Å
255	S	59.6	Low	76.9	Confident	52 Å²	52	38.8 Å²	38.8	36%	0.364	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-72.6	124.5	162.8	88.1	0	0	0	0	107.3	P253 N257 S381	P253-S255 PolarHBondContact O-N 2.97Å; S255-N257 PolarHBondContact O-N 3.09Å; S255-S381 WeakPolarHBondContact CA-OG 3.4Å; S255-S381 WeakPolarHBondContact CB-OG 3.45Å; S255-S381 PolarHBondContact N-OG 3.39Å; S255-S381 PolarHBondContact O-OG 3.4Å; S255-S381 PolarHBondContact OG-OG 2.92Å
256	T	65	Low	77.2	Confident	34 Å²	34	43.3 Å²	43.3	21%	0.209	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	9.2	175.3	49.2	0	0	0	0	111.8	A254 A356	A254-T256 PolarHBondContact O-N 3.1Å; T256-A356 WeakPolarHBondContact O-CB 3.43Å
257	N	74.7	Confident	77.4	Confident	96 Å²	96	43.2 Å²	43.2	51%	0.513	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-29.8	-176.2	-67.8	-12.4	0	0	0	113.2	S255 N353 A356 E357	S255-N257 PolarHBondContact O-N 3.09Å; N257-N353 PolarHBondContact OD1-ND2 2.94Å; N257-A356 WeakPolarHBondContact O-CA 3.4Å; N257-E357 PolarHBondContact O-N 2.97Å
258	K	85.7	Confident	78.1	Confident	73 Å²	73	50.8 Å²	50.8	32%	0.317	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	118.1	176.4	-61.6	-156	-177.8	-146.6	0	110.6	E357 A380	K258-E357 CarbonylContact C-O 3.47Å; K258-E357 WeakPolarHBondContact CA-O 3.35Å; K258-E357 WeakPolarHBondContact CD-OE2 3.37Å; K258-E357 WeakPolarHBondContact CE-OE2 3.45Å; K258-E357 HydrophobicContact CG-CB 4.06Å; K258-E357 IonicContact NZ-OE1 3.62Å; K258-E357 PolarHBondContact NZ-OE1 3.49Å; K258-E357 IonicContact NZ-OE2 2.57Å; K258-E357 PolarHBondContact NZ-OE2 3.29Å; K258-A380 HydrophobicContact CB-CB 4.29Å
259	I	90.4	Very high	79	Confident	1 Å²	1	51 Å²	51	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.1	-179.3	-54.3	-176.7	0	0	0	109.1	F280 A356 E357 L358 K359 I382 V384 W628	I259-F280 HydrophobicContact CG2-CZ 4.12Å; I259-A356 HydrophobicContact CD1-CB 4.15Å; I259-A356 HydrophobicContact CG1-CB 4.31Å; I259-E357 PolarHBondContact N-O 3.48Å; I259-L358 HydrophobicContact CB-CD1 4.36Å; I259-L358 HydrophobicContact CG2-CD1 4.34Å; I259-K359 PolarHBondContact O-N 3Å; I259-I382 HydrophobicContact CB-CG2 4.18Å; I259-I382 HydrophobicContact CG1-CG2 3.71Å; I259-I382 HydrophobicContact CG2-CG2 4.18Å; I259-V384 HydrophobicContact CG2-CG2 3.82Å; I259-W628 HydrophobicContact CD1-CE3 4.32Å; I259-W628 HydrophobicContact CD1-CH2 4.47Å; I259-W628 HydrophobicContact CD1-CZ3 3.83Å
260	A	94.8	Very high	80.1	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	122.1	172.3	0	0	0	0	0	110.8	L262 K359 Y361 V375 A380 I382 V383 V384	A260-L262 HydrophobicContact CB-CD1 4.05Å; A260-K359 CarbonylContact C-O 3.29Å; A260-K359 WeakPolarHBondContact CA-O 3.45Å; A260-Y361 HydrophobicContact CB-CD2 4.06Å; A260-Y361 HydrophobicContact CB-CE2 3.64Å; A260-V375 HydrophobicContact CB-CB 4.32Å; A260-V375 HydrophobicContact CB-CG1 3.49Å; A260-V375 VanDerWaalsContact CB-CG1 3.49Å; A260-V375 HydrophobicContact CB-CG2 3.8Å; A260-A380 HydrophobicContact CB-CB 3.88Å; A260-I382 PolarHBondContact N-O 2.85Å; A260-V383 HydrophobicContact CB-CG2 4.32Å; A260-V383 CarbonylContact O-C 3.57Å; A260-V383 WeakPolarHBondContact O-CA 3.35Å; A260-V384 PolarHBondContact O-N 3.35Å
261	L	96.2	Very high	81.3	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	115.4	178.1	-177.3	63.8	0	0	0	110.4	L263 Q277 F280 L358 K359 I360 Y361 V384	L261-L263 HydrophobicContact CD1-CD1 3.86Å; L261-L263 HydrophobicContact CD1-CG 4.07Å; L261-L263 HydrophobicContact CD2-CD1 3.64Å; L261-L263 HydrophobicContact CG-CD1 3.6Å; L261-L263 HydrophobicContact CG-CG 3.98Å; L261-Q277 HydrophobicContact CD2-CB 4.43Å; L261-Q277 HydrophobicContact CD2-CG 4.22Å; L261-F280 HydrophobicContact CD1-CD2 4.37Å; L261-F280 HydrophobicContact CD1-CE2 4.46Å; L261-F280 HydrophobicContact CD2-CB 4.45Å; L261-F280 HydrophobicContact CD2-CD1 4.08Å; L261-F280 HydrophobicContact CD2-CG 4.23Å; L261-L358 HydrophobicContact CB-CD1 3.82Å; L261-K359 PolarHBondContact N-O 3.37Å; L261-I360 HydrophobicContact CB-CG1 4.44Å; L261-I360 HydrophobicContact CD2-CG1 4.48Å; L261-I360 CarbonylContact O-C 3.52Å; L261-I360 WeakPolarHBondContact O-CA 3.31Å; L261-Y361 PolarHBondContact O-N 2.94Å; L261-V384 CarbonylContact C-O 3.42Å; L261-V384 WeakPolarHBondContact CA-O 3.36Å; L261-V384 HydrophobicContact CD1-CB 3.89Å; L261-V384 HydrophobicContact CD1-CG1 3.77Å
262	L	97.4	Very high	83	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	104	-174.7	-89.5	61.3	0	0	0	110.1	A260 Y361 T363 L368 I371 L372 V375 V383 V384	A260-L262 HydrophobicContact CB-CD1 4.05Å; L262-Y361 WeakPolarHBondContact CA-O 3.41Å; L262-Y361 HydrophobicContact CD1-CD2 3.67Å; L262-Y361 HydrophobicContact CD1-CG 4.03Å; L262-T363 HydrophobicContact CB-CG2 3.67Å; L262-T363 HydrophobicContact CD2-CG2 4.44Å; L262-T363 HydrophobicContact CG-CG2 4.06Å; L262-L368 HydrophobicContact CD2-CD1 3.66Å; L262-I371 HydrophobicContact CD1-CG2 4.19Å; L262-I371 HydrophobicContact CD2-CG2 3.82Å; L262-I371 HydrophobicContact CG-CG2 3.86Å; L262-L372 HydrophobicContact CD2-CD2 4.14Å; L262-V375 HydrophobicContact CD1-CG2 4.04Å; L262-V383 HydrophobicContact CD1-CG1 4.03Å; L262-V383 HydrophobicContact CD2-CG1 3.88Å; L262-V383 HydrophobicContact CG-CG1 4.38Å; L262-V384 PolarHBondContact N-O 3.26Å
263	L	96.8	Very high	84.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	151.3	-175.8	-67.1	170.2	0	0	0	111	L261 L265 G273 I276 Q277 Y361 D362 T363 L387 L407	L261-L263 HydrophobicContact CD1-CD1 3.86Å; L261-L263 HydrophobicContact CD1-CG 4.07Å; L261-L263 HydrophobicContact CD2-CD1 3.64Å; L261-L263 HydrophobicContact CG-CD1 3.6Å; L261-L263 HydrophobicContact CG-CG 3.98Å; L263-L265 HydrophobicContact CB-CD2 3.97Å; L263-L265 HydrophobicContact CB-CG 4.43Å; L263-L265 PolarHBondContact O-N 3.07Å; L263-G273 WeakPolarHBondContact CD1-O 3.45Å; L263-I276 HydrophobicContact CD1-CB 4.35Å; L263-I276 HydrophobicContact CD1-CG2 4.1Å; L263-I276 HydrophobicContact CD2-CB 4.29Å; L263-I276 HydrophobicContact CD2-CD1 4.39Å; L263-I276 HydrophobicContact CD2-CG2 3.94Å; L263-Q277 HydrophobicContact CD1-CB 3.87Å; L263-Y361 PolarHBondContact N-O 3.01Å; L263-Y361 VanDerWaalsContact N-O 3.15Å; L263-D362 WeakPolarHBondContact O-CA 3.28Å; L263-T363 VanDerWaalsContact C-OG1 3.31Å; L263-T363 PolarHBondContact O-N 3.47Å; L263-T363 PolarHBondContact O-OG1 3.47Å; L263-L387 HydrophobicContact CD2-CB 4.24Å; L263-L407 HydrophobicContact CD2-CD1 3.79Å
264	P	94.6	Very high	86.4	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.006	25%	0.251	C	S	.	.			trans	-74.7	112.9	168.9	30.2	-32.3	0	0	0	108.7	A269 A270 L387 L388	P264-A269 HydrophobicContact CB-CB 3.96Å; P264-A269 HydrophobicContact CG-CB 3.87Å; P264-A270 WeakPolarHBondContact O-CA 3.41Å; P264-L387 HydrophobicContact CG-CB 4.5Å; P264-L387 HydrophobicContact CG-CD2 3.98Å; P264-L388 HydrophobicContact CB-CD1 4.17Å; P264-L388 HydrophobicContact CB-CG 4.44Å; P264-L388 HydrophobicContact CG-CD1 4.42Å; P264-L388 HydrophobicContact CG-CD2 4.39Å; P264-L388 HydrophobicContact CG-CG 4.17Å
265	L	93.8	Very high	88.3	Confident	31 Å²	31	45.8 Å²	45.8	16%	0.162	25%	0.249	C	C	.	.			trans	-107.3	-5.2	-176.8	-58.4	-179.8	0	0	0	113.5	L263 A270 R274 I360 D362	L263-L265 HydrophobicContact CB-CD2 3.97Å; L263-L265 HydrophobicContact CB-CG 4.43Å; L263-L265 PolarHBondContact O-N 3.07Å; L265-A270 WeakPolarHBondContact O-CB 3.34Å; L265-R274 HydrophobicContact CD2-CG 4.3Å; L265-R274 PolarHBondContact O-NH2 2.92Å; L265-I360 HydrophobicContact CD1-CG2 3.61Å; L265-D362 HydrophobicContact CB-CB 4.17Å; L265-D362 HydrophobicContact CD1-CB 4.24Å; L265-D362 HydrophobicContact CG-CB 4.34Å; L265-D362 PolarHBondContact N-OD1 3.33Å
266	N	89	Confident	90	Very high	95 Å²	95	43.3 Å²	43.3	51%	0.508	23%	0.232	S	C	.	.	S	Bend	trans	-125.9	163.9	172	-64.9	-60	0	0	0	112.3	D362 S364	N266-D362 PolarHBondContact ND2-OD2 3.49Å; N266-S364 WeakPolarHBondContact CB-OG 3.47Å; N266-S364 PolarHBondContact N-OG 3.11Å
267	G	85.4	Confident	91.5	Very high	65 Å²	65	43.6 Å²	43.6	67%	0.67	23%	0.23	S	C	*	.	S	Bend	trans	75.9	-167.5	-177.6	0	0	0	0	0	114.3	A269 A270	G267-A269 PolarHBondContact O-N 3.46Å; G267-A270 WeakPolarHBondContact O-CB 3.25Å; G267-A270 PolarHBondContact O-N 3.24Å; G267-A270 VanDerWaalsContact O-N 3.12Å
268	Q	83	Confident	92.4	Very high	195 Å²	195	43 Å²	43	91%	0.911	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-28.4	-175.7	-66.3	179	8.8	0	0	113.3	A270	Q268-A270 VanDerWaalsContact C-N 3.3Å; Q268-A270 PolarHBondContact O-N 3.02Å
269	A	86.8	Confident	92.7	Very high	21 Å²	21	39.5 Å²	39.5	17%	0.174	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-7.8	179	0	0	0	0	0	113.9	P264 G267 V271 F272 G273 L388	P264-A269 HydrophobicContact CB-CB 3.96Å; P264-A269 HydrophobicContact CG-CB 3.87Å; G267-A269 PolarHBondContact O-N 3.46Å; A269-V271 PolarHBondContact O-N 3.3Å; A269-F272 PolarHBondContact O-N 3.1Å; A269-F272 VanDerWaalsContact O-N 3.14Å; A269-G273 PolarHBondContact O-N 3.47Å; A269-G273 VanDerWaalsContact O-N 3.13Å; A269-L388 HydrophobicContact CB-CD2 4Å
270	A	91.7	Very high	92.9	Very high	7 Å²	7	39.5 Å²	39.5	6%	0.058	21%	0.209	C	C	.	.	H	α-helix	trans	-58.1	-33.8	-177.5	0	0	0	0	0	113.3	P264 L265 G267 Q268 F272 G273 R274	P264-A270 WeakPolarHBondContact O-CA 3.41Å; L265-A270 WeakPolarHBondContact O-CB 3.34Å; G267-A270 WeakPolarHBondContact O-CB 3.25Å; G267-A270 PolarHBondContact O-N 3.24Å; G267-A270 VanDerWaalsContact O-N 3.12Å; Q268-A270 VanDerWaalsContact C-N 3.3Å; Q268-A270 PolarHBondContact O-N 3.02Å; A270-F272 PolarHBondContact O-N 3.45Å; A270-G273 PolarHBondContact O-N 3.43Å; A270-R274 WeakPolarHBondContact O-CB 3.48Å; A270-R274 VanDerWaalsContact O-CG 3.24Å; A270-R274 WeakPolarHBondContact O-CG 3.26Å; A270-R274 PolarHBondContact O-N 3.07Å
271	V	91.9	Very high	92.7	Very high	70 Å²	70	42.6 Å²	42.6	42%	0.424	22%	0.224	S	C	.	.	H	α-helix	trans	-60.4	-46.3	178	66.4	0	0	0	0	111	A269 T275 L617	A269-V271 PolarHBondContact O-N 3.3Å; V271-T275 WeakPolarHBondContact O-CB 3.45Å; V271-T275 PolarHBondContact O-N 3.37Å; V271-T275 VanDerWaalsContact O-N 3.08Å; V271-T275 PolarHBondContact O-OG1 3.38Å; V271-L617 HydrophobicContact CG2-CD1 4.08Å; V271-L617 HydrophobicContact CG2-CD2 3.89Å
272	F	93.4	Very high	92.4	Very high	85 Å²	85	43.1 Å²	43.1	37%	0.373	23%	0.228	S	C	.	.	H	α-helix	trans	-68.9	-43.1	178.8	-54.9	-62.7	0	0	0	111.7	A269 A270 T275 I276 L387 L617 M620	A269-F272 PolarHBondContact O-N 3.1Å; A269-F272 VanDerWaalsContact O-N 3.14Å; A270-F272 PolarHBondContact O-N 3.45Å; F272-T275 PolarHBondContact O-N 2.84Å; F272-I276 WeakPolarHBondContact O-CG1 3.49Å; F272-I276 PolarHBondContact O-N 3.36Å; F272-L387 HydrophobicContact CB-CD2 4.19Å; F272-L617 HydrophobicContact CD1-CD2 3.85Å; F272-L617 HydrophobicContact CE1-CD2 3.98Å; F272-M620 HydrophobicContact CD1-CG 4Å
273	G	94.3	Very high	91.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.7	-49.6	176.5	0	0	0	0	0	112.2	L263 A269 A270 T275 I276 Q277	L263-G273 WeakPolarHBondContact CD1-O 3.45Å; A269-G273 PolarHBondContact O-N 3.47Å; A269-G273 VanDerWaalsContact O-N 3.13Å; A270-G273 PolarHBondContact O-N 3.43Å; G273-T275 PolarHBondContact O-N 3.03Å; G273-I276 PolarHBondContact O-N 3.44Å; G273-Q277 WeakPolarHBondContact O-CB 3.4Å; G273-Q277 PolarHBondContact O-N 3.23Å
274	R	95.2	Very high	91.4	Very high	127 Å²	127	45.5 Å²	45.5	48%	0.479	24%	0.24	S	C	.	.	H	α-helix	trans	-63.3	-39.1	178.6	-70.2	174.9	-168.2	173.5	4.6	112.4	L265 A270 Q277 Q278	L265-R274 HydrophobicContact CD2-CG 4.3Å; L265-R274 PolarHBondContact O-NH2 2.92Å; A270-R274 WeakPolarHBondContact O-CB 3.48Å; A270-R274 VanDerWaalsContact O-CG 3.24Å; A270-R274 WeakPolarHBondContact O-CG 3.26Å; A270-R274 PolarHBondContact O-N 3.07Å; R274-Q277 WeakPolarHBondContact O-CB 3.28Å; R274-Q277 PolarHBondContact O-N 3.21Å; R274-Q278 VanDerWaalsContact O-CG 3.32Å; R274-Q278 WeakPolarHBondContact O-CG 3.47Å; R274-Q278 PolarHBondContact O-N 2.96Å
275	T	94.9	Very high	90.7	Very high	9 Å²	9	49.9 Å²	49.9	6%	0.055	26%	0.263	C	S	.	.	H	α-helix	trans	-67.4	-39.6	178.2	-55.9	0	0	0	0	112.4	V271 F272 G273 Q278 G279 V611 L617 M620	V271-T275 WeakPolarHBondContact O-CB 3.45Å; V271-T275 PolarHBondContact O-N 3.37Å; V271-T275 VanDerWaalsContact O-N 3.08Å; V271-T275 PolarHBondContact O-OG1 3.38Å; F272-T275 PolarHBondContact O-N 2.84Å; G273-T275 PolarHBondContact O-N 3.03Å; T275-Q278 PolarHBondContact O-N 3.19Å; T275-G279 PolarHBondContact O-N 3.19Å; T275-G279 VanDerWaalsContact O-N 3.12Å; T275-V611 HydrophobicContact CG2-CG1 3.69Å; T275-L617 HydrophobicContact CG2-CB 4.25Å; T275-L617 WeakPolarHBondContact CG2-O 3.46Å; T275-M620 HydrophobicContact CG2-CB 4.08Å
276	I	95.2	Very high	89.4	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-44.3	172.4	-69.4	166.5	0	0	0	110.4	L263 F272 G273 Q278 G279 F280 L387 L407 M620 M623 G624	L263-I276 HydrophobicContact CD1-CB 4.35Å; L263-I276 HydrophobicContact CD1-CG2 4.1Å; L263-I276 HydrophobicContact CD2-CB 4.29Å; L263-I276 HydrophobicContact CD2-CD1 4.39Å; L263-I276 HydrophobicContact CD2-CG2 3.94Å; F272-I276 WeakPolarHBondContact O-CG1 3.49Å; F272-I276 PolarHBondContact O-N 3.36Å; G273-I276 PolarHBondContact O-N 3.44Å; I276-Q278 VanDerWaalsContact C-N 3.34Å; I276-Q278 PolarHBondContact O-N 3.26Å; I276-G279 PolarHBondContact O-N 3.49Å; I276-F280 WeakPolarHBondContact O-CB 3.28Å; I276-F280 PolarHBondContact O-N 2.93Å; I276-L387 HydrophobicContact CD1-CD1 3.6Å; I276-L387 HydrophobicContact CD1-CD2 3.66Å; I276-L387 HydrophobicContact CD1-CG 4.22Å; I276-L407 HydrophobicContact CG2-CD1 3.92Å; I276-M620 HydrophobicContact CD1-SD 4.12Å; I276-M620 HydrophobicContact CG1-CB 4.01Å; I276-M620 WeakPolarHBondContact CG1-O 3.35Å; I276-M620 HydrophobicContact CG1-SD 4.41Å; I276-M623 HydrophobicContact CD1-SD 4.2Å; I276-G624 WeakPolarHBondContact O-CA 3.34Å
277	Q	95.7	Very high	87.7	Confident	39 Å²	39	50.9 Å²	50.9	18%	0.182	28%	0.279	C	S	.	.	H	α-helix	trans	-57.5	-46.5	176.9	-177.2	-169	-21.6	0	0	111.4	L261 L263 G273 R274 G279 F280 E281 I360	L261-Q277 HydrophobicContact CD2-CB 4.43Å; L261-Q277 HydrophobicContact CD2-CG 4.22Å; L263-Q277 HydrophobicContact CD1-CB 3.87Å; G273-Q277 WeakPolarHBondContact O-CB 3.4Å; G273-Q277 PolarHBondContact O-N 3.23Å; R274-Q277 WeakPolarHBondContact O-CB 3.28Å; R274-Q277 PolarHBondContact O-N 3.21Å; Q277-G279 PolarHBondContact O-N 3.45Å; Q277-F280 WeakPolarHBondContact O-CB 3.42Å; Q277-F280 PolarHBondContact O-N 2.87Å; Q277-E281 HydrophobicContact CG-CG 4.43Å; Q277-E281 WeakPolarHBondContact CG-OE1 3.31Å; Q277-E281 PolarHBondContact NE2-OE1 2.82Å; Q277-E281 WeakPolarHBondContact O-CB 3.11Å; Q277-E281 WeakPolarHBondContact O-CG 3.32Å; Q277-E281 PolarHBondContact O-N 2.89Å; Q277-I360 HydrophobicContact CG-CD1 4.29Å; Q277-I360 VanDerWaalsContact NE2-CD1 3.33Å
278	Q	94.1	Very high	85.4	Confident	84 Å²	84	51.7 Å²	51.7	39%	0.393	27%	0.271	S	S	.	.	H	α-helix	trans	-59.1	-46.4	177.8	-72.8	172	12.7	0	0	112.2	R274 T275 I276 F280 E281 A282 Y621	R274-Q278 VanDerWaalsContact O-CG 3.32Å; R274-Q278 WeakPolarHBondContact O-CG 3.47Å; R274-Q278 PolarHBondContact O-N 2.96Å; T275-Q278 PolarHBondContact O-N 3.19Å; I276-Q278 VanDerWaalsContact C-N 3.34Å; I276-Q278 PolarHBondContact O-N 3.26Å; Q278-F280 VanDerWaalsContact C-N 3.34Å; Q278-F280 PolarHBondContact O-N 2.87Å; Q278-E281 PolarHBondContact O-N 3.07Å; Q278-A282 VanDerWaalsContact O-CB 3.32Å; Q278-A282 WeakPolarHBondContact O-CB 3.41Å; Q278-A282 PolarHBondContact O-N 3.41Å; Q278-Y621 HydrophobicContact CB-CD2 4.18Å; Q278-Y621 HydrophobicContact CB-CE2 4.02Å
279	G	92.9	Very high	82.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.2	-39.9	176.6	0	0	0	0	0	112.9	T275 I276 Q277 A282 A283 Y621 V625	T275-G279 PolarHBondContact O-N 3.19Å; T275-G279 VanDerWaalsContact O-N 3.12Å; I276-G279 PolarHBondContact O-N 3.49Å; Q277-G279 PolarHBondContact O-N 3.45Å; G279-A282 PolarHBondContact O-N 3.18Å; G279-A283 PolarHBondContact O-N 3.22Å; G279-A283 VanDerWaalsContact O-N 3.07Å; G279-Y621 WeakPolarHBondContact CA-O 3.34Å; G279-V625 VanDerWaalsContact O-CG2 3.25Å; G279-V625 WeakPolarHBondContact O-CG2 3.37Å
280	F	93.7	Very high	79.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.6	-45.7	177.8	-167.7	-85	0	0	0	112.1	I259 L261 I276 Q277 Q278 A283 K284 L358 V384 G624 A627 W628	I259-F280 HydrophobicContact CG2-CZ 4.12Å; L261-F280 HydrophobicContact CD1-CD2 4.37Å; L261-F280 HydrophobicContact CD1-CE2 4.46Å; L261-F280 HydrophobicContact CD2-CB 4.45Å; L261-F280 HydrophobicContact CD2-CD1 4.08Å; L261-F280 HydrophobicContact CD2-CG 4.23Å; I276-F280 WeakPolarHBondContact O-CB 3.28Å; I276-F280 PolarHBondContact O-N 2.93Å; Q277-F280 WeakPolarHBondContact O-CB 3.42Å; Q277-F280 PolarHBondContact O-N 2.87Å; Q278-F280 VanDerWaalsContact C-N 3.34Å; Q278-F280 PolarHBondContact O-N 2.87Å; F280-A283 PolarHBondContact O-N 3.5Å; F280-K284 PolarHBondContact O-N 3.19Å; F280-K284 VanDerWaalsContact O-N 3.09Å; F280-L358 HydrophobicContact CD1-CD1 4.3Å; F280-L358 HydrophobicContact CD1-CD2 3.93Å; F280-L358 HydrophobicContact CE1-CD1 3.63Å; F280-L358 HydrophobicContact CE1-CD2 3.96Å; F280-L358 HydrophobicContact CE1-CG 4.43Å; F280-L358 HydrophobicContact CZ-CD1 4.45Å; F280-V384 HydrophobicContact CD2-CG1 4.48Å; F280-V384 HydrophobicContact CE2-CB 4.27Å; F280-V384 HydrophobicContact CE2-CG1 3.91Å; F280-V384 HydrophobicContact CE2-CG2 4.04Å; F280-V384 HydrophobicContact CZ-CG2 4.17Å; F280-G624 VanDerWaalsContact CA-O 3.3Å; F280-G624 WeakPolarHBondContact CA-O 3.25Å; F280-G624 WeakPolarHBondContact CD2-O 3.35Å; F280-A627 HydrophobicContact CD2-CB 3.97Å; F280-A627 HydrophobicContact CE2-CB 4.17Å; F280-W628 HydrophobicContact CD1-CE3 4.16Å; F280-W628 HydrophobicContact CD2-CB 3.89Å; F280-W628 AromaticContact CE1-CE3 3.48Å; F280-W628 HydrophobicContact CE1-CE3 3.48Å; F280-W628 VanDerWaalsContact CE1-CE3 3.48Å; F280-W628 HydrophobicContact CE1-CZ3 4.08Å; F280-W628 VanDerWaalsContact CE2-CA 3.4Å; F280-W628 HydrophobicContact CE2-CB 3.88Å; F280-W628 HydrophobicContact CE2-CE3 4.39Å; F280-W628 VanDerWaalsContact CE2-N 3.33Å; F280-W628 HydrophobicContact CG-CB 4.28Å; F280-W628 HydrophobicContact CZ-CB 4.26Å; F280-W628 AromaticContact CZ-CE3 3.62Å; F280-W628 HydrophobicContact CZ-CE3 3.62Å; F280-W628 HydrophobicContact CZ-CZ3 4.39Å
281	E	91.7	Very high	76.9	Confident	65 Å²	65	61.2 Å²	61.2	30%	0.304	33%	0.331	S	S	.	.	H	α-helix	trans	-66.9	-39.3	176.5	-72.2	174.8	-174.1	0	0	112.1	Q277 Q278 A283 K284 N285 L358	Q277-E281 HydrophobicContact CG-CG 4.43Å; Q277-E281 WeakPolarHBondContact CG-OE1 3.31Å; Q277-E281 PolarHBondContact NE2-OE1 2.82Å; Q277-E281 WeakPolarHBondContact O-CB 3.11Å; Q277-E281 WeakPolarHBondContact O-CG 3.32Å; Q277-E281 PolarHBondContact O-N 2.89Å; Q278-E281 PolarHBondContact O-N 3.07Å; E281-A283 VanDerWaalsContact C-N 3.34Å; E281-A283 PolarHBondContact O-N 3.4Å; E281-K284 WeakPolarHBondContact O-CB 3.31Å; E281-K284 PolarHBondContact O-N 3.33Å; E281-N285 VanDerWaalsContact O-CG 3.24Å; E281-N285 PolarHBondContact O-N 2.97Å; E281-N285 PolarHBondContact O-ND2 3.18Å; E281-L358 HydrophobicContact CG-CD2 4.12Å
282	A	88.7	Confident	73.7	Confident	11 Å²	11	61.1 Å²	61.1	9%	0.091	34%	0.337	C	S	.	.	H	α-helix	trans	-59.7	-44.8	174.9	0	0	0	0	0	111.7	Q278 G279 N285 I286 Y621	Q278-A282 VanDerWaalsContact O-CB 3.32Å; Q278-A282 WeakPolarHBondContact O-CB 3.41Å; Q278-A282 PolarHBondContact O-N 3.41Å; G279-A282 PolarHBondContact O-N 3.18Å; A282-N285 PolarHBondContact O-N 3.5Å; A282-I286 WeakPolarHBondContact O-CG1 3.28Å; A282-I286 PolarHBondContact O-N 3.01Å; A282-Y621 WeakPolarHBondContact CB-OH 3.24Å
283	A	87.2	Confident	70.5	Confident	8 Å²	8	61.7 Å²	61.7	7%	0.066	36%	0.358	C	S	.	.	H	α-helix	trans	-65.1	-38.7	177.5	0	0	0	0	0	113	G279 F280 E281 N285 I286 V625 W628	G279-A283 PolarHBondContact O-N 3.22Å; G279-A283 VanDerWaalsContact O-N 3.07Å; F280-A283 PolarHBondContact O-N 3.5Å; E281-A283 VanDerWaalsContact C-N 3.34Å; E281-A283 PolarHBondContact O-N 3.4Å; A283-N285 VanDerWaalsContact C-N 3.31Å; A283-N285 PolarHBondContact O-N 3.15Å; A283-I286 PolarHBondContact O-N 3.29Å; A283-V625 HydrophobicContact CB-CB 4.21Å; A283-V625 HydrophobicContact CB-CG1 3.95Å; A283-V625 HydrophobicContact CB-CG2 4.37Å; A283-W628 HydrophobicContact CB-CB 3.82Å; A283-W628 HydrophobicContact CB-CG 3.86Å
284	K	85.6	Confident	67.3	Low	42 Å²	42	69.7 Å²	69.7	18%	0.183	40%	0.395	C	S	.	.	H	α-helix	trans	-58.1	-44.4	172.1	175.6	177	175.1	179.5	0	111.7	F280 E281 G287 A356 W628	F280-K284 PolarHBondContact O-N 3.19Å; F280-K284 VanDerWaalsContact O-N 3.09Å; E281-K284 WeakPolarHBondContact O-CB 3.31Å; E281-K284 PolarHBondContact O-N 3.33Å; K284-G287 PolarHBondContact O-N 2.89Å; K284-A356 WeakPolarHBondContact CE-O 3.4Å; K284-A356 PolarHBondContact NZ-O 2.88Å; K284-W628 HydrophobicContact CB-CD2 3.97Å; K284-W628 HydrophobicContact CB-CE3 3.9Å; K284-W628 HydrophobicContact CB-CH2 3.84Å; K284-W628 HydrophobicContact CB-CZ2 3.89Å; K284-W628 HydrophobicContact CB-CZ3 3.83Å; K284-W628 HydrophobicContact CD-CH2 3.92Å; K284-W628 HydrophobicContact CD-CZ3 3.88Å; K284-W628 HydrophobicContact CG-CE3 4.43Å; K284-W628 HydrophobicContact CG-CH2 3.53Å; K284-W628 HydrophobicContact CG-CZ2 3.86Å; K284-W628 HydrophobicContact CG-CZ3 3.84Å
285	N	79.8	Confident	64	Low	93 Å²	93	70.9 Å²	70.9	50%	0.497	42%	0.416	S	S	.	.	H	α-helix	trans	-73.1	-31.1	-176.3	-66.4	-22.6	0	0	0	112.9	E281 A282 A283 G287 T288	E281-N285 VanDerWaalsContact O-CG 3.24Å; E281-N285 PolarHBondContact O-N 2.97Å; E281-N285 PolarHBondContact O-ND2 3.18Å; A282-N285 PolarHBondContact O-N 3.5Å; A283-N285 VanDerWaalsContact C-N 3.31Å; A283-N285 PolarHBondContact O-N 3.15Å; N285-G287 PolarHBondContact O-N 3.17Å; N285-T288 PolarHBondContact O-N 2.95Å; N285-T288 PolarHBondContact O-OG1 3.14Å
286	I	67.5	Low	61.1	Low	101 Å²	101	73.8 Å²	73.8	52%	0.518	44%	0.441	S	S	.	.	H	α-helix	trans	-59.9	-33.5	176.9	-69.3	163.7	0	0	0	111.5	A282 A283 T288 Q289	A282-I286 WeakPolarHBondContact O-CG1 3.28Å; A282-I286 PolarHBondContact O-N 3.01Å; A283-I286 PolarHBondContact O-N 3.29Å; I286-T288 PolarHBondContact O-N 3.49Å; I286-Q289 PolarHBondContact O-N 3.3Å
287	G	52.3	Low	57.9	Low	47 Å²	47	78.4 Å²	78.4	49%	0.485	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-6.9	175.7	0	0	0	0	0	115.5	K284 N285	K284-G287 PolarHBondContact O-N 2.89Å; N285-G287 PolarHBondContact O-N 3.17Å
288	T	38.3	Very low	54.8	Low	81 Å²	81	81.2 Å²	81.2	50%	0.497	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-8.9	179.3	59.8	0	0	0	0	114.3	N285 I286 P290 P354	N285-T288 PolarHBondContact O-N 2.95Å; N285-T288 PolarHBondContact O-OG1 3.14Å; I286-T288 PolarHBondContact O-N 3.49Å; T288-P290 WeakPolarHBondContact O-CD 3.45Å; T288-P354 HydrophobicContact CG2-CB 3.51Å; T288-P354 HydrophobicContact CG2-CG 4.45Å
289	Q	27.9	Very low	51.9	Low	156 Å²	156	83.1 Å²	83.1	73%	0.729	53%	0.529	S	S	*	.	S	Bend	trans	-83	122.1	177.1	-75.4	-158.8	-13.6	0	0	110.8	I286 V291	I286-Q289 PolarHBondContact O-N 3.3Å; Q289-V291 PolarHBondContact O-N 3.26Å
290	P	26.2	Very low	49	Very low	115 Å²	115	88 Å²	88	75%	0.747	57%	0.57	S	S	*	*			trans	-64.2	125.1	169.8	26.7	-29.5	0	0	0	107.8	T288 A292	T288-P290 WeakPolarHBondContact O-CD 3.45Å; P290-A292 PolarHBondContact O-N 3.3Å
291	V	28.2	Very low	46.2	Very low	152 Å²	152	92.2 Å²	92.2	92%	0.921	60%	0.604	S	S	*	*			trans	-69.9	79.7	163.9	-172.5	0	0	0	0	106.6	Q289 A293	Q289-V291 PolarHBondContact O-N 3.26Å; V291-A293 PolarHBondContact O-N 2.82Å
292	A	25.1	Very low	43.4	Very low	68 Å²	68	96.4 Å²	96.4	56%	0.562	63%	0.628	S	S	*	*			trans	-70.3	115	163.1	0	0	0	0	0	106.8	P290 Q294	P290-A292 PolarHBondContact O-N 3.3Å; A292-Q294 PolarHBondContact O-N 3.3Å
293	A	25.4	Very low	41	Very low	97 Å²	97	102.9 Å²	102.9	80%	0.802	67%	0.667	S	S	*	*			trans	-55	108.1	152.5	0	0	0	0	0	107.7	V291	V291-A293 PolarHBondContact O-N 2.82Å
294	Q	27.1	Very low	38.6	Very low	168 Å²	168	106.1 Å²	106.1	79%	0.785	69%	0.693	S	S	*	*			trans	-118	80.9	162.4	-104.4	177.8	-22.4	0	0	108.8	A292	A292-Q294 PolarHBondContact O-N 3.3Å
295	V	26.8	Very low	36.1	Very low	153 Å²	153	112 Å²	112	93%	0.927	72%	0.721	S	S	*	*			trans	-99.7	85.7	142.6	-169.6	0	0	0	0	105.1
296	A	33	Very low	34	Very low	70 Å²	70	115.1 Å²	115.1	58%	0.579	73%	0.733	S	S	*	*			trans	-167.9	109	172.1	0	0	0	0	0	106.6
297	A	29.4	Very low	32.6	Very low	97 Å²	97	115.6 Å²	115.6	80%	0.802	74%	0.743	S	S	*	*				55.6	104.3	76.9	0	0	0	0	0	113.8
298	A	29.3	Very low	31.6	Very low	98 Å²	98	122 Å²	122	81%	0.81	76%	0.76	S	S	*	*			trans	73.8	160	154	0	0	0	0	0	118.2
299	P	34.7	Very low	31.5	Very low	124 Å²	124	123 Å²	123	81%	0.805	77%	0.768	S	S	*	*			cis	-132	165.8	3.7	29.1	-6.8	0	0	0	115.8
300	A	30.8	Very low	31.9	Very low	103 Å²	103	123.5 Å²	123.5	85%	0.851	77%	0.77	S	S	*	*			trans	-70.6	143.5	165.3	0	0	0	0	0	112.1
301	A	35.9	Very low	32.3	Very low	88 Å²	88	123.8 Å²	123.8	73%	0.727	77%	0.77	S	S	*	*			trans	-168.7	121.9	148.1	0	0	0	0	0	111.7
302	D	33.2	Very low	32.6	Very low	152 Å²	152	122.3 Å²	122.3	81%	0.813	76%	0.761	S	S	*	*			trans	61.6	102.8	141.4	-57.3	-23.9	0	0	0	122.1
303	V	37.5	Very low	33	Very low	148 Å²	148	126.2 Å²	126.2	90%	0.897	77%	0.773	S	S	*	*			trans	-138.3	98.1	130.2	-161.7	0	0	0	0	109.8
304	A	36.1	Very low	33.3	Very low	75 Å²	75	125 Å²	125	62%	0.62	77%	0.769	S	S	*	*			trans	43.1	119.2	143.1	0	0	0	0	0	123.5
305	E	33.1	Very low	33.6	Very low	166 Å²	166	123.8 Å²	123.8	78%	0.776	77%	0.773	S	S	*	*				49.5	133.5	129.4	-63.1	-176.1	121.9	0	0	119.3
306	Q	36.4	Very low	33.8	Very low	158 Å²	158	121 Å²	121	74%	0.738	77%	0.766	S	S	*	*			cis	174.4	175.3	16.8	-108.8	-177.7	21.9	0	0	105.5
307	P	37.2	Very low	33.5	Very low	112 Å²	112	123 Å²	123	73%	0.727	78%	0.776	S	S	*	*				-128	149.2	-67.6	28.9	-6.2	0	0	0	115.3
308	Q	31.6	Very low	33.7	Very low	181 Å²	181	124.1 Å²	124.1	85%	0.846	78%	0.775	S	S	*	*			trans	-0.5	161.9	141.4	-101.6	169.1	-14.9	0	0	121.9
309	P	37.4	Very low	33.8	Very low	101 Å²	101	123.4 Å²	123.4	66%	0.656	77%	0.769	S	S	*	*				-157.8	165.4	66.2	41.4	-18.3	0	0	0	121.3
310	Q	36.6	Very low	33.5	Very low	167 Å²	167	126.8 Å²	126.8	78%	0.78	77%	0.774	S	S	*	*			trans	77.3	129.5	144.3	-76.2	159.6	-6.1	0	0	118.6
311	T	33.3	Very low	33.4	Very low	121 Å²	121	126.6 Å²	126.6	74%	0.742	77%	0.773	S	S	*	*			cis	-170.4	136.7	46.6	23.6	0	0	0	0	113.7
312	V	34.8	Very low	33	Very low	121 Å²	121	128.1 Å²	128.1	73%	0.733	78%	0.778	S	S	*	*			trans	42.6	147.4	140.8	-73.1	0	0	0	0	122.6
313	D	33.7	Very low	33	Very low	151 Å²	151	127.8 Å²	127.8	81%	0.807	78%	0.781	S	S	*	*			cis	-171.4	148.6	11.1	-108	-28.5	0	0	0	110.8
314	G	31.6	Very low	32.7	Very low	70 Å²	70	125.4 Å²	125.4	72%	0.722	77%	0.771	S	S	*	*			trans	63	151.9	147.8	0	0	0	0	0	121.1
315	V	32.9	Very low	32.5	Very low	143 Å²	143	128.8 Å²	128.8	87%	0.867	78%	0.778	S	S	*	*			cis	-167.6	137.1	16	-176.1	0	0	0	0	109.8
316	A	31.2	Very low	32.4	Very low	95 Å²	95	129.4 Å²	129.4	79%	0.785	79%	0.786	S	S	*	*			trans	34.6	131.8	147.7	0	0	0	0	0	126.3
317	S	27.5	Very low	32.3	Very low	112 Å²	112	128.3 Å²	128.3	78%	0.783	79%	0.791	S	S	*	*			trans	-73.2	177.5	146.7	-75.9	0	0	0	0	111.5
318	P	32.5	Very low	32.2	Very low	121 Å²	121	126.9 Å²	126.9	79%	0.786	80%	0.796	S	S	*	*			cis	-154.4	-169.1	30.1	40.2	-14.8	0	0	0	118.1
319	A	31.4	Very low	32.2	Very low	83 Å²	83	127.6 Å²	127.6	69%	0.686	80%	0.799	S	S	*	*			trans	96.5	111.2	142.4	0	0	0	0	0	122.2
320	Q	28.4	Very low	32	Very low	194 Å²	194	131.9 Å²	131.9	91%	0.907	81%	0.811	S	S	*	*				31.8	126.2	125.5	-65	177.6	-47.4	0	0	121.1
321	A	30	Very low	32	Very low	100 Å²	100	129.5 Å²	129.5	83%	0.826	81%	0.81	S	S	*	*			trans	-154.2	118.7	143.5	0	0	0	0	0	110.9
322	S	27.3	Very low	31.9	Very low	119 Å²	119	128.7 Å²	128.7	83%	0.832	82%	0.815	S	S	*	*			trans	-91.6	148.6	168.1	-41.3	0	0	0	0	109.3
323	V	33.2	Very low	32	Very low	146 Å²	146	128 Å²	128	89%	0.885	82%	0.822	S	S	*	*			trans	-130.1	116.1	166.3	-152.4	0	0	0	0	109.1
324	S	30.1	Very low	31.9	Very low	97 Å²	97	129.7 Å²	129.7	68%	0.678	83%	0.825	S	S	*	*			trans	-75.8	152.4	173.2	-53.9	0	0	0	0	111.2
325	D	33.1	Very low	32.1	Very low	146 Å²	146	131.6 Å²	131.6	78%	0.781	82%	0.824	S	S	*	*				166.1	119.8	125.5	-88.3	-18.7	0	0	0	110.2
326	L	31	Very low	32.2	Very low	179 Å²	179	130.7 Å²	130.7	94%	0.937	82%	0.819	S	S	*	*			trans	-174.1	96.5	137.8	-94.1	169.8	0	0	0	107.5
327	T	34.2	Very low	32.2	Very low	136 Å²	136	132.4 Å²	132.4	83%	0.834	82%	0.822	S	S	*	*			trans	-73	145.5	-179.8	44.4	0	0	0	0	113.4
328	G	34.2	Very low	32.6	Very low	81 Å²	81	133.6 Å²	133.6	84%	0.835	82%	0.824	S	S	*	*			trans	179.4	73	167.4	0	0	0	0	0	112.4
329	E	31.7	Very low	32.7	Very low	197 Å²	197	133.3 Å²	133.3	92%	0.921	83%	0.825	S	S	*	*			trans	-73.9	134.8	168.9	-84.3	171.5	105.9	0	0	111.6
330	Q	33.2	Very low	32.7	Very low	191 Å²	191	133.6 Å²	133.6	89%	0.893	83%	0.827	S	S	*	*			trans	-154.8	129.9	143.9	-144.3	164.5	-35.1	0	0	110.8
331	P	36.4	Very low	32.9	Very low	117 Å²	117	130.1 Å²	130.1	76%	0.76	82%	0.822	S	S	*	*			trans	-105.6	156.3	-170.4	35.6	-27	0	0	0	115.6
332	A	31.7	Very low	32.8	Very low	103 Å²	103	130.3 Å²	130.3	85%	0.851	82%	0.824	S	S	*	*			trans	69.1	107.8	148.4	0	0	0	0	0	121.3
333	A	36.9	Very low	32.9	Very low	106 Å²	106	130.9 Å²	130.9	88%	0.876	82%	0.822	S	S	*	*			trans	-159.1	111.6	135.9	0	0	0	0	0	111.1
334	Q	31.3	Very low	32.7	Very low	187 Å²	187	129.4 Å²	129.4	87%	0.874	82%	0.818	S	S	*	*			trans	-78.2	173.6	152.4	-68	179.3	-21.8	0	0	108.3
335	P	36.1	Very low	32.5	Very low	110 Å²	110	131.1 Å²	131.1	71%	0.714	83%	0.825	S	S	*	*			cis	-135.7	169.1	1.7	39.1	-21.4	0	0	0	114.3
336	V	34	Very low	32.3	Very low	124 Å²	124	128.3 Å²	128.3	75%	0.752	82%	0.822	S	S	*	*				176.8	128.7	123.8	-88.1	0	0	0	0	109.4	V338	V336-V338 PolarHBondContact O-N 3.17Å
337	P	32.3	Very low	32.1	Very low	131 Å²	131	124.8 Å²	124.8	85%	0.851	82%	0.819	S	S	*	*			trans	-82.2	116.8	177.9	31.6	-28.5	0	0	0	109.7
338	V	36.5	Very low	31.8	Very low	137 Å²	137	124.9 Å²	124.9	83%	0.83	82%	0.818	S	S	*	*			trans	-97.7	110.3	167.8	-135.6	0	0	0	0	107.6	V336 A340	V336-V338 PolarHBondContact O-N 3.17Å; V338-A340 PolarHBondContact O-N 3.44Å
339	S	33.5	Very low	31.8	Very low	115 Å²	115	125 Å²	125	80%	0.804	81%	0.807	S	S	*	*			trans	-58.5	110.3	172.8	43.2	0	0	0	0	110.9
340	A	31.8	Very low	31.9	Very low	89 Å²	89	118.9 Å²	118.9	74%	0.736	79%	0.79	S	S	*	*			trans	-83.3	142.9	166.3	0	0	0	0	0	109.9	V338	V338-A340 PolarHBondContact O-N 3.44Å
341	P	32.4	Very low	32.2	Very low	122 Å²	122	115.6 Å²	115.6	79%	0.792	79%	0.785	S	S	*	*			trans	-65	137.9	-177.3	-11.4	26	0	0	0	110.5	T343	P341-T343 PolarHBondContact O-N 3.23Å
342	A	28.3	Very low	33.1	Very low	104 Å²	104	111.5 Å²	111.5	86%	0.86	76%	0.761	S	S	*	*			trans	-54.5	109.5	173.7	0	0	0	0	0	110.3	S344	A342-S344 PolarHBondContact O-N 3.02Å
343	T	28.4	Very low	34.5	Very low	130 Å²	130	109 Å²	109	80%	0.798	73%	0.733	S	S	*	*			trans	-65.8	113.2	163.6	33.3	0	0	0	0	107.6	P341 T345	P341-T343 PolarHBondContact O-N 3.23Å; T343-T345 PolarHBondContact O-N 2.98Å
344	S	28.6	Very low	35.6	Very low	115 Å²	115	105.7 Å²	105.7	80%	0.804	70%	0.703	S	S	*	*			trans	-50.8	109.1	174.3	53.1	0	0	0	0	109.6	A342 A346	A342-S344 PolarHBondContact O-N 3.02Å; S344-A346 PolarHBondContact O-N 3.39Å
345	T	26.9	Very low	37.3	Very low	134 Å²	134	101.5 Å²	101.5	82%	0.822	69%	0.694	S	S	*	*			trans	-52.8	118.3	170.1	42.4	0	0	0	0	109.1	T343 A347	T343-T345 PolarHBondContact O-N 2.98Å; T345-A347 PolarHBondContact O-N 3.38Å
346	A	28.5	Very low	39.2	Very low	87 Å²	87	96.3 Å²	96.3	72%	0.719	66%	0.66	S	S	*	*			trans	-47.8	126.6	164.3	0	0	0	0	0	108.6	S344 V348	S344-A346 PolarHBondContact O-N 3.39Å; A346-V348 PolarHBondContact O-N 2.93Å
347	A	27.2	Very low	41.6	Very low	105 Å²	105	95.1 Å²	95.1	87%	0.868	65%	0.647	S	S	*	*			trans	-59.5	102.4	179	0	0	0	0	0	109.1	T345 S349	T345-A347 PolarHBondContact O-N 3.38Å; A347-S349 PolarHBondContact O-N 3.35Å; A347-S349 VanDerWaalsContact O-N 3.17Å
348	V	28.5	Very low	44.4	Very low	137 Å²	137	90.5 Å²	90.5	83%	0.83	62%	0.615	S	S	*	*			trans	-63.2	113.8	166.1	177.7	0	0	0	0	106	A346 A350	A346-V348 PolarHBondContact O-N 2.93Å; V348-A350 PolarHBondContact O-N 3.4Å
349	S	33.7	Very low	47	Very low	84 Å²	84	87.7 Å²	87.7	59%	0.587	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-52.4	124.6	174.5	43.6	0	0	0	0	109.9	A347	A347-S349 PolarHBondContact O-N 3.35Å; A347-S349 VanDerWaalsContact O-N 3.17Å
350	A	32.9	Very low	49.9	Very low	68 Å²	68	85.1 Å²	85.1	56%	0.562	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-55.8	130.9	170.7	0	0	0	0	0	109.1	V348	V348-A350 PolarHBondContact O-N 3.4Å
351	P	40.2	Very low	53	Low	122 Å²	122	81.9 Å²	81.9	79%	0.792	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-60	143.9	179.5	22.1	-30.1	0	0	0	110.7
352	A	55.4	Low	56	Low	31 Å²	31	77.2 Å²	77.2	26%	0.256	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-50.4	146.5	173.7	0	0	0	0	0	110.6	P354 W628 N632	A352-P354 WeakPolarHBondContact O-CD 3.23Å; A352-W628 HydrophobicContact CB-CZ2 4.43Å; A352-N632 HydrophobicContact CB-CB 4.08Å
353	N	60.6	Low	59.1	Low	50 Å²	50	72.7 Å²	72.7	27%	0.267	47%	0.467	S	S	.	.			trans	-80.1	100.8	176.9	-175.4	0.8	0	0	0	109.2	N257 S355 A356 N632	N257-N353 PolarHBondContact OD1-ND2 2.94Å; N353-S355 PolarHBondContact O-N 3.49Å; N353-S355 VanDerWaalsContact O-N 3.09Å; N353-S355 VanDerWaalsContact OD1-CB 3.24Å; N353-S355 WeakPolarHBondContact OD1-CB 3.48Å; N353-S355 PolarHBondContact OD1-N 2.96Å; N353-S355 VanDerWaalsContact OD1-N 3.1Å; N353-S355 PolarHBondContact OD1-OG 3.07Å; N353-A356 PolarHBondContact O-N 3.22Å; N353-N632 PolarHBondContact N-OD1 3.46Å
354	P	60.7	Low	62.1	Low	38 Å²	38	69.3 Å²	69.3	25%	0.247	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.2	-178.8	28.6	-36.1	0	0	0	112.6	T288 A352 A356	T288-P354 HydrophobicContact CG2-CB 3.51Å; T288-P354 HydrophobicContact CG2-CG 4.45Å; A352-P354 WeakPolarHBondContact O-CD 3.23Å; P354-A356 VanDerWaalsContact C-N 3.26Å; P354-A356 PolarHBondContact O-N 3.09Å
355	S	67.2	Low	65	Low	98 Å²	98	67.2 Å²	67.2	69%	0.685	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	0.9	-176.9	-26.6	0	0	0	0	113.8	N353 E357	N353-S355 PolarHBondContact O-N 3.49Å; N353-S355 VanDerWaalsContact O-N 3.09Å; N353-S355 VanDerWaalsContact OD1-CB 3.24Å; N353-S355 WeakPolarHBondContact OD1-CB 3.48Å; N353-S355 PolarHBondContact OD1-N 2.96Å; N353-S355 VanDerWaalsContact OD1-N 3.1Å; N353-S355 PolarHBondContact OD1-OG 3.07Å; S355-E357 PolarHBondContact O-N 3.24Å
356	A	76.6	Confident	68	Low	1 Å²	1	65.6 Å²	65.6	1%	0.008	42%	0.417	C	S	.	.			trans	-59.5	126.4	-179.3	0	0	0	0	0	111.8	T256 N257 I259 K284 N353 P354 L358 W628	T256-A356 WeakPolarHBondContact O-CB 3.43Å; N257-A356 WeakPolarHBondContact O-CA 3.4Å; I259-A356 HydrophobicContact CD1-CB 4.15Å; I259-A356 HydrophobicContact CG1-CB 4.31Å; K284-A356 WeakPolarHBondContact CE-O 3.4Å; K284-A356 PolarHBondContact NZ-O 2.88Å; N353-A356 PolarHBondContact O-N 3.22Å; P354-A356 VanDerWaalsContact C-N 3.26Å; P354-A356 PolarHBondContact O-N 3.09Å; A356-L358 PolarHBondContact O-N 3.25Å; A356-W628 HydrophobicContact CB-CH2 3.98Å; A356-W628 HydrophobicContact CB-CZ3 4.43Å
357	E	83.8	Confident	70.9	Confident	99 Å²	99	64.7 Å²	64.7	46%	0.463	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	122.9	170.4	-168.2	-174.6	147.8	0	0	108.5	N257 K258 I259 S355	N257-E357 PolarHBondContact O-N 2.97Å; K258-E357 CarbonylContact C-O 3.47Å; K258-E357 WeakPolarHBondContact CA-O 3.35Å; K258-E357 WeakPolarHBondContact CD-OE2 3.37Å; K258-E357 WeakPolarHBondContact CE-OE2 3.45Å; K258-E357 HydrophobicContact CG-CB 4.06Å; K258-E357 IonicContact NZ-OE1 3.62Å; K258-E357 PolarHBondContact NZ-OE1 3.49Å; K258-E357 IonicContact NZ-OE2 2.57Å; K258-E357 PolarHBondContact NZ-OE2 3.29Å; I259-E357 PolarHBondContact N-O 3.48Å; S355-E357 PolarHBondContact O-N 3.24Å
358	L	89.9	Confident	74.1	Confident	34 Å²	34	59.9 Å²	59.9	18%	0.178	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.3	178.1	177.5	60.8	0	0	0	108.4	I259 L261 F280 E281 A356 I360	I259-L358 HydrophobicContact CB-CD1 4.36Å; I259-L358 HydrophobicContact CG2-CD1 4.34Å; L261-L358 HydrophobicContact CB-CD1 3.82Å; F280-L358 HydrophobicContact CD1-CD1 4.3Å; F280-L358 HydrophobicContact CD1-CD2 3.93Å; F280-L358 HydrophobicContact CE1-CD1 3.63Å; F280-L358 HydrophobicContact CE1-CD2 3.96Å; F280-L358 HydrophobicContact CE1-CG 4.43Å; F280-L358 HydrophobicContact CZ-CD1 4.45Å; E281-L358 HydrophobicContact CG-CD2 4.12Å; A356-L358 PolarHBondContact O-N 3.25Å; L358-I360 HydrophobicContact CG-CG1 4.4Å
359	K	92.5	Very high	76.9	Confident	78 Å²	78	56 Å²	56	34%	0.339	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.2	173.9	-168.9	164.8	174.8	-174.3	0	110	I259 A260 L261 Y361 D378	I259-K359 PolarHBondContact O-N 3Å; A260-K359 CarbonylContact C-O 3.29Å; A260-K359 WeakPolarHBondContact CA-O 3.45Å; L261-K359 PolarHBondContact N-O 3.37Å; K359-Y361 HydrophobicContact CB-CE2 3.92Å; K359-Y361 HydrophobicContact CD-CE2 4.24Å; K359-Y361 VanDerWaalsContact CD-OH 3.23Å; K359-Y361 WeakPolarHBondContact CD-OH 3.39Å; K359-Y361 WeakPolarHBondContact CE-OH 3.22Å; K359-Y361 HydrophobicContact CG-CE2 3.7Å; K359-Y361 WeakPolarHBondContact O-CE2 3.45Å; K359-D378 HydrophobicContact CD-CB 4.42Å; K359-D378 IonicContact NZ-OD1 3.53Å; K359-D378 PolarHBondContact NZ-OD1 3.12Å; K359-D378 IonicContact NZ-OD2 2.79Å; K359-D378 PolarHBondContact NZ-OD2 3.39Å
360	I	94	Very high	79.7	Confident	62 Å²	62	57.1 Å²	57.1	32%	0.318	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	135.9	-173.4	-59.8	161.4	0	0	0	109.4	L261 L265 Q277 L358	L261-I360 HydrophobicContact CB-CG1 4.44Å; L261-I360 HydrophobicContact CD2-CG1 4.48Å; L261-I360 CarbonylContact O-C 3.52Å; L261-I360 WeakPolarHBondContact O-CA 3.31Å; L265-I360 HydrophobicContact CD1-CG2 3.61Å; Q277-I360 HydrophobicContact CG-CD1 4.29Å; Q277-I360 VanDerWaalsContact NE2-CD1 3.33Å; L358-I360 HydrophobicContact CG-CG1 4.4Å
361	Y	96.2	Very high	82.6	Confident	21 Å²	21	54.1 Å²	54.1	8%	0.082	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	129.1	178.5	-58.4	-99.2	0	0	0	110.1	A260 L261 L262 L263 K359 T363 I371 Q374 V375 D378	A260-Y361 HydrophobicContact CB-CD2 4.06Å; A260-Y361 HydrophobicContact CB-CE2 3.64Å; L261-Y361 PolarHBondContact O-N 2.94Å; L262-Y361 WeakPolarHBondContact CA-O 3.41Å; L262-Y361 HydrophobicContact CD1-CD2 3.67Å; L262-Y361 HydrophobicContact CD1-CG 4.03Å; L263-Y361 PolarHBondContact N-O 3.01Å; L263-Y361 VanDerWaalsContact N-O 3.15Å; K359-Y361 HydrophobicContact CB-CE2 3.92Å; K359-Y361 HydrophobicContact CD-CE2 4.24Å; K359-Y361 VanDerWaalsContact CD-OH 3.23Å; K359-Y361 WeakPolarHBondContact CD-OH 3.39Å; K359-Y361 WeakPolarHBondContact CE-OH 3.22Å; K359-Y361 HydrophobicContact CG-CE2 3.7Å; K359-Y361 WeakPolarHBondContact O-CE2 3.45Å; Y361-T363 PolarHBondContact O-N 3.28Å; Y361-I371 HydrophobicContact CD1-CG2 3.93Å; Y361-I371 HydrophobicContact CG-CG2 3.89Å; Y361-Q374 HydrophobicContact CE1-CB 4.5Å; Y361-Q374 HydrophobicContact CE1-CG 3.96Å; Y361-V375 HydrophobicContact CD1-CG2 4.2Å; Y361-V375 HydrophobicContact CD2-CG2 3.87Å; Y361-V375 HydrophobicContact CE1-CG2 3.9Å; Y361-V375 HydrophobicContact CE2-CG2 3.56Å; Y361-V375 HydrophobicContact CG-CG2 4.17Å; Y361-D378 WeakPolarHBondContact OH-CB 3.32Å; Y361-D378 PolarHBondContact OH-OD2 2.94Å
362	D	95.5	Very high	85.1	Confident	24 Å²	24	48.6 Å²	48.6	13%	0.128	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	107.1	178.3	-179.9	11.7	0	0	0	111.3	L263 L265 N266 S364 S365 I371	L263-D362 WeakPolarHBondContact O-CA 3.28Å; L265-D362 HydrophobicContact CB-CB 4.17Å; L265-D362 HydrophobicContact CD1-CB 4.24Å; L265-D362 HydrophobicContact CG-CB 4.34Å; L265-D362 PolarHBondContact N-OD1 3.33Å; N266-D362 PolarHBondContact ND2-OD2 3.49Å; D362-S364 PolarHBondContact O-N 3.37Å; D362-S364 VanDerWaalsContact O-N 3.12Å; D362-S364 WeakPolarHBondContact OD1-CB 3.24Å; D362-S364 PolarHBondContact OD1-N 3.37Å; D362-S364 PolarHBondContact OD1-OG 3.02Å; D362-S364 PolarHBondContact OD2-OG 2.89Å; D362-S365 PolarHBondContact O-N 2.92Å; D362-S365 VanDerWaalsContact O-N 3.11Å; D362-S365 PolarHBondContact O-OG 3.06Å; D362-I371 WeakPolarHBondContact O-CD1 3.32Å
363	T	94.8	Very high	86.7	Confident	9 Å²	9	50.1 Å²	50.1	6%	0.055	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-4.6	178.8	64	0	0	0	0	114.3	L262 L263 Y361 L368 I371 P386 N391	L262-T363 HydrophobicContact CB-CG2 3.67Å; L262-T363 HydrophobicContact CD2-CG2 4.44Å; L262-T363 HydrophobicContact CG-CG2 4.06Å; L263-T363 VanDerWaalsContact C-OG1 3.31Å; L263-T363 PolarHBondContact O-N 3.47Å; L263-T363 PolarHBondContact O-OG1 3.47Å; Y361-T363 PolarHBondContact O-N 3.28Å; T363-L368 HydrophobicContact CG2-CD1 4.42Å; T363-I371 HydrophobicContact CG2-CD1 4.37Å; T363-P386 HydrophobicContact CG2-CB 4.22Å; T363-N391 WeakPolarHBondContact CB-ND2 2.96Å; T363-N391 PolarHBondContact OG1-ND2 2.9Å
364	S	91.3	Very high	88.2	Confident	58 Å²	58	51.5 Å²	51.5	41%	0.406	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-7.6	173.5	67.4	0	0	0	0	113.6	N266 D362	N266-S364 WeakPolarHBondContact CB-OG 3.47Å; N266-S364 PolarHBondContact N-OG 3.11Å; D362-S364 PolarHBondContact O-N 3.37Å; D362-S364 VanDerWaalsContact O-N 3.12Å; D362-S364 WeakPolarHBondContact OD1-CB 3.24Å; D362-S364 PolarHBondContact OD1-N 3.37Å; D362-S364 PolarHBondContact OD1-OG 3.02Å; D362-S364 PolarHBondContact OD2-OG 2.89Å
365	S	88.9	Confident	89.8	Confident	72 Å²	72	49.7 Å²	49.7	50%	0.503	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-29.9	-176.8	69.3	0	0	0	0	114.1	D362	D362-S365 PolarHBondContact O-N 2.92Å; D362-S365 VanDerWaalsContact O-N 3.11Å; D362-S365 PolarHBondContact O-OG 3.06Å
366	Q	89.1	Confident	90.7	Very high	100 Å²	100	50 Å²	50	47%	0.467	27%	0.27	S	S	.	.	S	Bend	trans	-146.5	155.3	-174.9	-63	-179.1	34.8	0	0	110.4	I371	Q366-I371 HydrophobicContact CB-CD1 4.28Å; Q366-I371 HydrophobicContact CB-CG1 4.02Å; Q366-I371 WeakPolarHBondContact O-CD1 3.11Å
367	P	91	Very high	91.3	Very high	68 Å²	68	57.1 Å²	57.1	44%	0.442	30%	0.302	S	S	.	.			trans	-54.4	143.9	170.5	-24	33.8	0	0	0	112.1	S369 Q370 I371	P367-S369 VanDerWaalsContact C-N 3.28Å; P367-S369 PolarHBondContact O-N 3.32Å; P367-Q370 PolarHBondContact O-N 2.93Å; P367-Q370 VanDerWaalsContact O-N 3.11Å; P367-I371 PolarHBondContact O-N 2.93Å
368	L	93	Very high	91.5	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.016	29%	0.292	C	S	.	.	H	α-helix	trans	-62	-37.8	-173.7	-177.6	68.8	0	0	0	112.2	L262 T363 Q370 I371 L372 P386 N391 E394 L395	L262-L368 HydrophobicContact CD2-CD1 3.66Å; T363-L368 HydrophobicContact CG2-CD1 4.42Å; L368-Q370 VanDerWaalsContact C-N 3.28Å; L368-Q370 PolarHBondContact O-N 3.24Å; L368-I371 PolarHBondContact O-N 3.39Å; L368-I371 VanDerWaalsContact O-N 3.15Å; L368-L372 HydrophobicContact CD1-CG 4.29Å; L368-L372 HydrophobicContact CD2-CD1 4.28Å; L368-L372 HydrophobicContact CG-CD1 3.93Å; L368-L372 HydrophobicContact CG-CG 4.12Å; L368-L372 WeakPolarHBondContact O-CG 3.32Å; L368-L372 PolarHBondContact O-N 2.89Å; L368-P386 HydrophobicContact CD1-CB 4.37Å; L368-P386 HydrophobicContact CD1-CG 4.35Å; L368-P386 HydrophobicContact CD2-CG 4.02Å; L368-N391 HydrophobicContact CD2-CB 4.24Å; L368-N391 WeakPolarHBondContact CD2-O 3.49Å; L368-E394 HydrophobicContact CB-CB 4.49Å; L368-E394 HydrophobicContact CB-CG 4.27Å; L368-E394 HydrophobicContact CD2-CB 4.15Å; L368-E394 PolarHBondContact N-OE1 2.85Å; L368-L395 HydrophobicContact CD2-CB 3.86Å
369	S	88.9	Confident	91.2	Very high	56 Å²	56	55.2 Å²	55.2	39%	0.392	31%	0.307	S	S	.	.	H	α-helix	trans	-54.9	-38.9	175.6	49.8	0	0	0	0	113.9	P367 S373 E394	P367-S369 VanDerWaalsContact C-N 3.28Å; P367-S369 PolarHBondContact O-N 3.32Å; S369-S373 PolarHBondContact O-N 3.31Å; S369-S373 VanDerWaalsContact O-N 3.16Å; S369-S373 PolarHBondContact O-OG 2.77Å; S369-E394 PolarHBondContact N-OE1 3.42Å; S369-E394 PolarHBondContact OG-OE1 2.74Å
370	Q	91.7	Very high	90.9	Very high	107 Å²	107	51.8 Å²	51.8	50%	0.5	29%	0.293	S	S	.	.	H	α-helix	trans	-71	-42.8	176	-68.7	-176.9	-15.1	0	0	111.2	P367 L368 L372 S373 Q374	P367-Q370 PolarHBondContact O-N 2.93Å; P367-Q370 VanDerWaalsContact O-N 3.11Å; L368-Q370 VanDerWaalsContact C-N 3.28Å; L368-Q370 PolarHBondContact O-N 3.24Å; Q370-L372 PolarHBondContact O-N 3.42Å; Q370-S373 WeakPolarHBondContact O-CB 3.49Å; Q370-S373 PolarHBondContact O-N 2.83Å; Q370-Q374 WeakPolarHBondContact O-CB 3.27Å; Q370-Q374 PolarHBondContact O-N 3.27Å
371	I	94.4	Very high	90.1	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-60.6	-46.5	176.7	-63	174.2	0	0	0	110.7	L262 Y361 D362 T363 Q366 P367 L368 S373 Q374 V375	L262-I371 HydrophobicContact CD1-CG2 4.19Å; L262-I371 HydrophobicContact CD2-CG2 3.82Å; L262-I371 HydrophobicContact CG-CG2 3.86Å; Y361-I371 HydrophobicContact CD1-CG2 3.93Å; Y361-I371 HydrophobicContact CG-CG2 3.89Å; D362-I371 WeakPolarHBondContact O-CD1 3.32Å; T363-I371 HydrophobicContact CG2-CD1 4.37Å; Q366-I371 HydrophobicContact CB-CD1 4.28Å; Q366-I371 HydrophobicContact CB-CG1 4.02Å; Q366-I371 WeakPolarHBondContact O-CD1 3.11Å; P367-I371 PolarHBondContact O-N 2.93Å; L368-I371 PolarHBondContact O-N 3.39Å; L368-I371 VanDerWaalsContact O-N 3.15Å; I371-S373 VanDerWaalsContact C-N 3.31Å; I371-S373 PolarHBondContact O-N 2.81Å; I371-Q374 WeakPolarHBondContact O-CB 3.17Å; I371-Q374 PolarHBondContact O-N 2.8Å; I371-V375 HydrophobicContact CG2-CG2 4.23Å; I371-V375 WeakPolarHBondContact O-CG2 3.25Å; I371-V375 PolarHBondContact O-N 2.84Å
372	L	92.4	Very high	89.8	Confident	7 Å²	7	49.2 Å²	49.2	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-38.4	178.6	-69.6	172.3	0	0	0	112.2	L262 L368 Q370 V375 Q376 V383 L395 T400 L402	L262-L372 HydrophobicContact CD2-CD2 4.14Å; L368-L372 HydrophobicContact CD1-CG 4.29Å; L368-L372 HydrophobicContact CD2-CD1 4.28Å; L368-L372 HydrophobicContact CG-CD1 3.93Å; L368-L372 HydrophobicContact CG-CG 4.12Å; L368-L372 WeakPolarHBondContact O-CG 3.32Å; L368-L372 PolarHBondContact O-N 2.89Å; Q370-L372 PolarHBondContact O-N 3.42Å; L372-V375 PolarHBondContact O-N 3.09Å; L372-Q376 PolarHBondContact O-N 3.47Å; L372-V383 HydrophobicContact CD2-CG2 4.45Å; L372-L395 HydrophobicContact CD1-CD1 3.84Å; L372-L395 HydrophobicContact CD2-CD1 4.37Å; L372-T400 HydrophobicContact CD1-CG2 4.47Å; L372-L402 HydrophobicContact CD2-CD1 4.4Å
373	S	89.3	Confident	89.7	Confident	63 Å²	63	48 Å²	48	44%	0.441	28%	0.277	S	S	.	.	H	α-helix	trans	-63.8	-42.6	174.6	-58.3	0	0	0	0	111.4	S369 Q370 I371 Q376 Q377	S369-S373 PolarHBondContact O-N 3.31Å; S369-S373 VanDerWaalsContact O-N 3.16Å; S369-S373 PolarHBondContact O-OG 2.77Å; Q370-S373 WeakPolarHBondContact O-CB 3.49Å; Q370-S373 PolarHBondContact O-N 2.83Å; I371-S373 VanDerWaalsContact C-N 3.31Å; I371-S373 PolarHBondContact O-N 2.81Å; S373-Q376 PolarHBondContact O-N 3.41Å; S373-Q377 WeakPolarHBondContact O-CG 3.47Å; S373-Q377 PolarHBondContact O-N 2.9Å; S373-Q377 VanDerWaalsContact O-N 3.1Å
374	Q	92.1	Very high	89.8	Confident	78 Å²	78	47.6 Å²	47.6	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-64.3	-45.1	176	-176.2	59.1	59	0	0	111.7	Y361 Q370 I371 Q376 Q377 D378	Y361-Q374 HydrophobicContact CE1-CB 4.5Å; Y361-Q374 HydrophobicContact CE1-CG 3.96Å; Q370-Q374 WeakPolarHBondContact O-CB 3.27Å; Q370-Q374 PolarHBondContact O-N 3.27Å; I371-Q374 WeakPolarHBondContact O-CB 3.17Å; I371-Q374 PolarHBondContact O-N 2.8Å; Q374-Q376 VanDerWaalsContact C-N 3.27Å; Q374-Q376 PolarHBondContact O-N 3.45Å; Q374-Q377 WeakPolarHBondContact O-CB 3.3Å; Q374-Q377 PolarHBondContact O-N 3.48Å; Q374-Q377 VanDerWaalsContact O-N 3.09Å; Q374-D378 WeakPolarHBondContact CG-OD2 3.47Å; Q374-D378 PolarHBondContact NE2-OD1 3.3Å; Q374-D378 PolarHBondContact NE2-OD2 3.43Å; Q374-D378 VanDerWaalsContact O-CG 3.29Å; Q374-D378 PolarHBondContact O-N 2.92Å; Q374-D378 VanDerWaalsContact O-OD2 3.09Å
375	V	92.3	Very high	90	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-56.2	-43.1	176	170.7	0	0	0	0	111.6	A260 L262 Y361 I371 L372 D378 G379 A380 V383 L402	A260-V375 HydrophobicContact CB-CB 4.32Å; A260-V375 HydrophobicContact CB-CG1 3.49Å; A260-V375 VanDerWaalsContact CB-CG1 3.49Å; A260-V375 HydrophobicContact CB-CG2 3.8Å; L262-V375 HydrophobicContact CD1-CG2 4.04Å; Y361-V375 HydrophobicContact CD1-CG2 4.2Å; Y361-V375 HydrophobicContact CD2-CG2 3.87Å; Y361-V375 HydrophobicContact CE1-CG2 3.9Å; Y361-V375 HydrophobicContact CE2-CG2 3.56Å; Y361-V375 HydrophobicContact CG-CG2 4.17Å; I371-V375 HydrophobicContact CG2-CG2 4.23Å; I371-V375 WeakPolarHBondContact O-CG2 3.25Å; I371-V375 PolarHBondContact O-N 2.84Å; L372-V375 PolarHBondContact O-N 3.09Å; V375-D378 PolarHBondContact O-N 3.46Å; V375-G379 PolarHBondContact O-N 3.27Å; V375-A380 HydrophobicContact CG1-CB 3.7Å; V375-A380 PolarHBondContact O-N 3.09Å; V375-V383 HydrophobicContact CG1-CG2 3.86Å; V375-L402 HydrophobicContact CB-CD1 4.19Å; V375-L402 HydrophobicContact CG1-CD1 3.74Å
376	Q	86.6	Confident	90.3	Very high	106 Å²	106	41.4 Å²	41.4	50%	0.495	23%	0.231	S	C	.	.	H	α-helix	trans	-65.7	-39.7	178	-174.2	175.2	-10.9	0	0	111.8	L372 S373 Q374 D378 G379 L402	L372-Q376 PolarHBondContact O-N 3.47Å; S373-Q376 PolarHBondContact O-N 3.41Å; Q374-Q376 VanDerWaalsContact C-N 3.27Å; Q374-Q376 PolarHBondContact O-N 3.45Å; Q376-D378 VanDerWaalsContact C-N 3.31Å; Q376-G379 PolarHBondContact O-N 3.42Å; Q376-L402 HydrophobicContact CB-CD1 4.43Å; Q376-L402 HydrophobicContact CB-CD2 4.32Å; Q376-L402 HydrophobicContact CG-CD2 4.43Å
377	Q	89.5	Confident	90.5	Very high	149 Å²	149	37.4 Å²	37.4	70%	0.696	21%	0.213	S	C	*	.	H	α-helix	trans	-65	-35.3	174.6	-69.9	173.1	19.9	0	0	112.2	S373 Q374 G379	S373-Q377 WeakPolarHBondContact O-CG 3.47Å; S373-Q377 PolarHBondContact O-N 2.9Å; S373-Q377 VanDerWaalsContact O-N 3.1Å; Q374-Q377 WeakPolarHBondContact O-CB 3.3Å; Q374-Q377 PolarHBondContact O-N 3.48Å; Q374-Q377 VanDerWaalsContact O-N 3.09Å; Q377-G379 PolarHBondContact O-N 3.24Å
378	D	88.4	Confident	90.6	Very high	46 Å²	46	37.4 Å²	37.4	25%	0.246	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-6.4	177.7	-69.9	-49.7	0	0	0	113.8	K359 Y361 Q374 V375 Q376	K359-D378 HydrophobicContact CD-CB 4.42Å; K359-D378 IonicContact NZ-OD1 3.53Å; K359-D378 PolarHBondContact NZ-OD1 3.12Å; K359-D378 IonicContact NZ-OD2 2.79Å; K359-D378 PolarHBondContact NZ-OD2 3.39Å; Y361-D378 WeakPolarHBondContact OH-CB 3.32Å; Y361-D378 PolarHBondContact OH-OD2 2.94Å; Q374-D378 WeakPolarHBondContact CG-OD2 3.47Å; Q374-D378 PolarHBondContact NE2-OD1 3.3Å; Q374-D378 PolarHBondContact NE2-OD2 3.43Å; Q374-D378 VanDerWaalsContact O-CG 3.29Å; Q374-D378 PolarHBondContact O-N 2.92Å; Q374-D378 VanDerWaalsContact O-OD2 3.09Å; V375-D378 PolarHBondContact O-N 3.46Å; Q376-D378 VanDerWaalsContact C-N 3.31Å
379	G	84.1	Confident	90.5	Very high	47 Å²	47	40.3 Å²	40.3	49%	0.485	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	15.4	173.5	0	0	0	0	0	114.7	V375 Q376 Q377 S381	V375-G379 PolarHBondContact O-N 3.27Å; Q376-G379 PolarHBondContact O-N 3.42Å; Q377-G379 PolarHBondContact O-N 3.24Å; G379-S381 PolarHBondContact O-N 3.11Å
380	A	85	Confident	90.6	Very high	6 Å²	6	43.5 Å²	43.5	5%	0.05	23%	0.234	C	C	.	.			trans	-72.2	125.1	173.2	0	0	0	0	0	109.7	K258 A260 V375 L402	K258-A380 HydrophobicContact CB-CB 4.29Å; A260-A380 HydrophobicContact CB-CB 3.88Å; V375-A380 HydrophobicContact CG1-CB 3.7Å; V375-A380 PolarHBondContact O-N 3.09Å; A380-L402 VanDerWaalsContact O-CD2 3.31Å; A380-L402 WeakPolarHBondContact O-CD2 3.39Å
381	S	77.9	Confident	90.7	Very high	29 Å²	29	39.5 Å²	39.5	20%	0.203	22%	0.216	C	C	.	.	S	Bend	trans	-91.6	-11.9	177.4	45.2	0	0	0	0	114	S255 G379 N403	S255-S381 WeakPolarHBondContact CA-OG 3.4Å; S255-S381 WeakPolarHBondContact CB-OG 3.45Å; S255-S381 PolarHBondContact N-OG 3.39Å; S255-S381 PolarHBondContact O-OG 3.4Å; S255-S381 PolarHBondContact OG-OG 2.92Å; G379-S381 PolarHBondContact O-N 3.11Å; S381-N403 PolarHBondContact O-N 3.07Å
382	I	89.8	Confident	90.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.9	176.2	-171	169.3	0	0	0	111.2	A254 I259 A260 N403 A631 F634	A254-I382 HydrophobicContact CB-CB 4.4Å; I259-I382 HydrophobicContact CB-CG2 4.18Å; I259-I382 HydrophobicContact CG1-CG2 3.71Å; I259-I382 HydrophobicContact CG2-CG2 4.18Å; A260-I382 PolarHBondContact N-O 2.85Å; I382-N403 CarbonylContact C-O 3.59Å; I382-N403 VanDerWaalsContact CA-O 3.3Å; I382-N403 WeakPolarHBondContact CA-O 3.5Å; I382-N403 HydrophobicContact CG1-CB 4.45Å; I382-A631 HydrophobicContact CD1-CB 3.97Å; I382-A631 WeakPolarHBondContact CD1-O 3.5Å; I382-F634 HydrophobicContact CD1-CB 3.56Å; I382-F634 HydrophobicContact CD1-CD2 4.1Å; I382-F634 HydrophobicContact CD1-CG 3.87Å
383	V	93.9	Very high	90.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132.3	176.5	176.1	0	0	0	0	108.5	A260 L262 L372 V375 L402 N403 V404 L405	A260-V383 HydrophobicContact CB-CG2 4.32Å; A260-V383 CarbonylContact O-C 3.57Å; A260-V383 WeakPolarHBondContact O-CA 3.35Å; L262-V383 HydrophobicContact CD1-CG1 4.03Å; L262-V383 HydrophobicContact CD2-CG1 3.88Å; L262-V383 HydrophobicContact CG-CG1 4.38Å; L372-V383 HydrophobicContact CD2-CG2 4.45Å; V375-V383 HydrophobicContact CG1-CG2 3.86Å; V383-L402 HydrophobicContact CG2-CB 4.16Å; V383-L402 HydrophobicContact CG2-CD1 3.74Å; V383-N403 PolarHBondContact N-O 3.03Å; V383-V404 HydrophobicContact CB-CB 4.35Å; V383-V404 HydrophobicContact CB-CG1 4.06Å; V383-V404 HydrophobicContact CB-CG2 4.05Å; V383-V404 HydrophobicContact CG1-CG1 3.97Å; V383-V404 HydrophobicContact CG2-CG2 4.46Å; V383-V404 CarbonylContact O-C 3.58Å; V383-V404 WeakPolarHBondContact O-CA 3.46Å; V383-L405 PolarHBondContact O-N 3.36Å
384	V	96	Very high	90.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	118.8	168.8	-178.8	0	0	0	0	107.4	I259 A260 L261 L262 F280 L405 L407 A627 A631	I259-V384 HydrophobicContact CG2-CG2 3.82Å; A260-V384 PolarHBondContact O-N 3.35Å; L261-V384 CarbonylContact C-O 3.42Å; L261-V384 WeakPolarHBondContact CA-O 3.36Å; L261-V384 HydrophobicContact CD1-CB 3.89Å; L261-V384 HydrophobicContact CD1-CG1 3.77Å; L262-V384 PolarHBondContact N-O 3.26Å; F280-V384 HydrophobicContact CD2-CG1 4.48Å; F280-V384 HydrophobicContact CE2-CB 4.27Å; F280-V384 HydrophobicContact CE2-CG1 3.91Å; F280-V384 HydrophobicContact CE2-CG2 4.04Å; F280-V384 HydrophobicContact CZ-CG2 4.17Å; V384-L405 CarbonylContact C-O 3.52Å; V384-L405 WeakPolarHBondContact CA-O 3.49Å; V384-L405 HydrophobicContact CG1-CD2 4.48Å; V384-L407 HydrophobicContact CG1-CD1 4.09Å; V384-L407 HydrophobicContact CG1-CD2 3.94Å; V384-L407 HydrophobicContact CG1-CG 4.13Å; V384-A627 HydrophobicContact CG1-CB 3.95Å; V384-A631 HydrophobicContact CG2-CB 3.58Å
385	G	94.8	Very high	90.7	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.			trans	110.1	177.1	-167.4	0	0	0	0	0	112.3	V404 L405	G385-V404 WeakPolarHBondContact O-CG1 3.46Å; G385-L405 PolarHBondContact N-O 3.06Å
386	P	96.2	Very high	90.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.205	C	C	.	.			cis	-79.3	169.9	5.9	33.5	-35.2	0	0	0	113.4	T363 L368 N391 V392 L407	T363-P386 HydrophobicContact CG2-CB 4.22Å; L368-P386 HydrophobicContact CD1-CB 4.37Å; L368-P386 HydrophobicContact CD1-CG 4.35Å; L368-P386 HydrophobicContact CD2-CG 4.02Å; P386-N391 HydrophobicContact CB-CB 3.56Å; P386-N391 HydrophobicContact CG-CB 3.59Å; P386-V392 HydrophobicContact CG-CG2 3.91Å; P386-L407 PolarHBondContact O-N 3.3Å
387	L	94.2	Very high	90.4	Very high	16 Å²	16	41.4 Å²	41.4	8%	0.084	22%	0.215	C	C	.	.			trans	-93.7	-38.4	179.4	178.4	65.4	0	0	0	114	L263 P264 F272 I276 L407 N408	L263-L387 HydrophobicContact CD2-CB 4.24Å; P264-L387 HydrophobicContact CG-CB 4.5Å; P264-L387 HydrophobicContact CG-CD2 3.98Å; F272-L387 HydrophobicContact CB-CD2 4.19Å; I276-L387 HydrophobicContact CD1-CD1 3.6Å; I276-L387 HydrophobicContact CD1-CD2 3.66Å; I276-L387 HydrophobicContact CD1-CG 4.22Å; L387-L407 HydrophobicContact CD1-CB 4.08Å; L387-L407 WeakPolarHBondContact CD1-O 3.48Å; L387-N408 VanDerWaalsContact O-CB 3.25Å; L387-N408 WeakPolarHBondContact O-CB 3.35Å; L387-N408 PolarHBondContact O-ND2 3.11Å
388	L	93	Very high	90.1	Very high	68 Å²	68	36.3 Å²	36.3	36%	0.356	20%	0.196	S	C	.	.	S	Bend	trans	-78.7	136.1	-175.2	-61.4	-179.6	0	0	0	110.8	P264 A269 N390 N391 V392	P264-L388 HydrophobicContact CB-CD1 4.17Å; P264-L388 HydrophobicContact CB-CG 4.44Å; P264-L388 HydrophobicContact CG-CD1 4.42Å; P264-L388 HydrophobicContact CG-CD2 4.39Å; P264-L388 HydrophobicContact CG-CG 4.17Å; A269-L388 HydrophobicContact CB-CD2 4Å; L388-N390 VanDerWaalsContact C-N 3.3Å; L388-N390 PolarHBondContact O-N 3.17Å; L388-N391 WeakPolarHBondContact O-CA 3.34Å; L388-N391 WeakPolarHBondContact O-CB 3.44Å; L388-N391 PolarHBondContact O-N 3.07Å; L388-V392 PolarHBondContact O-N 3.33Å
389	K	89.7	Confident	89.6	Confident	64 Å²	64	40.1 Å²	40.1	28%	0.278	22%	0.217	S	C	.	.	H	α-helix	trans	-53.3	-44	-177.1	-167.2	179.7	-176.4	-174.3	0	112.8	N391 V392 E393 E411	K389-N391 VanDerWaalsContact C-N 3.28Å; K389-N391 PolarHBondContact O-N 3.09Å; K389-V392 PolarHBondContact O-N 3.14Å; K389-E393 PolarHBondContact O-N 3.26Å; K389-E411 VanDerWaalsContact NZ-CB 3.35Å; K389-E411 IonicContact NZ-OE2 2.71Å; K389-E411 PolarHBondContact NZ-OE2 2.97Å
390	N	91.2	Very high	89.5	Confident	122 Å²	122	38.6 Å²	38.6	65%	0.652	20%	0.198	S	C	*	.	H	α-helix	trans	-59	-38.3	177.5	-63.8	1.3	0	0	0	112.5	L388 E393 E394	L388-N390 VanDerWaalsContact C-N 3.3Å; L388-N390 PolarHBondContact O-N 3.17Å; N390-E393 PolarHBondContact O-N 2.66Å; N390-E394 PolarHBondContact O-N 2.79Å
391	N	93.8	Very high	89.2	Confident	23 Å²	23	42.6 Å²	42.6	12%	0.123	22%	0.224	C	C	.	.	H	α-helix	trans	-72.9	-35.4	177.1	-66.9	-7.1	0	0	0	110.6	T363 L368 P386 L388 K389 E393 E394 L395	T363-N391 WeakPolarHBondContact CB-ND2 2.96Å; T363-N391 PolarHBondContact OG1-ND2 2.9Å; L368-N391 HydrophobicContact CD2-CB 4.24Å; L368-N391 WeakPolarHBondContact CD2-O 3.49Å; P386-N391 HydrophobicContact CB-CB 3.56Å; P386-N391 HydrophobicContact CG-CB 3.59Å; L388-N391 WeakPolarHBondContact O-CA 3.34Å; L388-N391 WeakPolarHBondContact O-CB 3.44Å; L388-N391 PolarHBondContact O-N 3.07Å; K389-N391 VanDerWaalsContact C-N 3.28Å; K389-N391 PolarHBondContact O-N 3.09Å; N391-E393 VanDerWaalsContact C-N 3.29Å; N391-E393 PolarHBondContact O-N 2.58Å; N391-E394 PolarHBondContact O-N 2.87Å; N391-L395 WeakPolarHBondContact O-CB 3.25Å; N391-L395 PolarHBondContact O-N 2.8Å
392	V	92.7	Very high	89.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.7	-35.7	172.8	178.6	0	0	0	0	111.1	P386 L388 K389 L395 L396 A406 N408 P410 Y421	P386-V392 HydrophobicContact CG-CG2 3.91Å; L388-V392 PolarHBondContact O-N 3.33Å; K389-V392 PolarHBondContact O-N 3.14Å; V392-L395 WeakPolarHBondContact O-CB 3.46Å; V392-L395 PolarHBondContact O-N 3.27Å; V392-L396 WeakPolarHBondContact O-CG 3.5Å; V392-L396 PolarHBondContact O-N 3.18Å; V392-A406 HydrophobicContact CG1-CB 4.34Å; V392-A406 HydrophobicContact CG2-CB 4.25Å; V392-N408 HydrophobicContact CG2-CB 3.91Å; V392-P410 HydrophobicContact CG1-CB 4.46Å; V392-Y421 HydrophobicContact CG1-CD1 4.24Å; V392-Y421 HydrophobicContact CG1-CE1 4.11Å
393	E	91.7	Very high	89.4	Confident	62 Å²	62	42.7 Å²	42.7	29%	0.29	22%	0.222	S	C	.	.	H	α-helix	trans	-69.8	-37.1	173.4	-69.1	173	-173.8	0	0	112.6	K389 N390 N391 L395 L396 K397 P410	K389-E393 PolarHBondContact O-N 3.26Å; N390-E393 PolarHBondContact O-N 2.66Å; N391-E393 VanDerWaalsContact C-N 3.29Å; N391-E393 PolarHBondContact O-N 2.58Å; E393-L395 VanDerWaalsContact C-N 3.34Å; E393-L396 PolarHBondContact O-N 3.01Å; E393-K397 PolarHBondContact O-N 3.12Å; E393-P410 HydrophobicContact CG-CB 4.28Å
394	E	91.5	Very high	89.3	Confident	59 Å²	59	42.7 Å²	42.7	28%	0.276	22%	0.222	S	C	.	.	H	α-helix	trans	-65.3	-37.7	171.8	-166.9	-175.5	159.1	0	0	111.6	L368 S369 N390 N391 L396 K397 S398	L368-E394 HydrophobicContact CB-CB 4.49Å; L368-E394 HydrophobicContact CB-CG 4.27Å; L368-E394 HydrophobicContact CD2-CB 4.15Å; L368-E394 PolarHBondContact N-OE1 2.85Å; S369-E394 PolarHBondContact N-OE1 3.42Å; S369-E394 PolarHBondContact OG-OE1 2.74Å; N390-E394 PolarHBondContact O-N 2.79Å; N391-E394 PolarHBondContact O-N 2.87Å; E394-L396 VanDerWaalsContact C-N 3.27Å; E394-L396 PolarHBondContact O-N 3.01Å; E394-K397 WeakPolarHBondContact O-CA 3.49Å; E394-K397 WeakPolarHBondContact O-CB 3.47Å; E394-K397 PolarHBondContact O-N 3.11Å; E394-S398 PolarHBondContact O-N 3.39Å
395	L	91.6	Very high	89.3	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-55.4	-43.9	175.3	173.7	67.8	0	0	0	111	L368 L372 N391 V392 E393 K397 S398 T400 V404 A406 I419	L368-L395 HydrophobicContact CD2-CB 3.86Å; L372-L395 HydrophobicContact CD1-CD1 3.84Å; L372-L395 HydrophobicContact CD2-CD1 4.37Å; N391-L395 WeakPolarHBondContact O-CB 3.25Å; N391-L395 PolarHBondContact O-N 2.8Å; V392-L395 WeakPolarHBondContact O-CB 3.46Å; V392-L395 PolarHBondContact O-N 3.27Å; E393-L395 VanDerWaalsContact C-N 3.34Å; L395-K397 PolarHBondContact O-N 3.4Å; L395-S398 WeakPolarHBondContact O-CB 3.41Å; L395-S398 PolarHBondContact O-N 3.21Å; L395-S398 VanDerWaalsContact O-N 3.17Å; L395-S398 PolarHBondContact O-OG 3.19Å; L395-T400 HydrophobicContact CD1-CG2 3.7Å; L395-V404 HydrophobicContact CD1-CG1 4.25Å; L395-V404 HydrophobicContact CD1-CG2 4.13Å; L395-V404 HydrophobicContact CD2-CB 4.28Å; L395-V404 HydrophobicContact CD2-CG1 3.61Å; L395-A406 HydrophobicContact CD2-CB 4.24Å; L395-I419 HydrophobicContact CD2-CD1 4.1Å; L395-I419 HydrophobicContact CD2-CG2 4.28Å; L395-I419 HydrophobicContact CG-CD1 4.06Å
396	L	86.8	Confident	89.3	Confident	13 Å²	13	42.8 Å²	42.8	7%	0.068	22%	0.222	C	C	.	.	H	α-helix	trans	-65.2	-28.6	177.1	-61.4	178.4	0	0	0	112.8	V392 E393 E394 P410 R416 I419 Y421	V392-L396 WeakPolarHBondContact O-CG 3.5Å; V392-L396 PolarHBondContact O-N 3.18Å; E393-L396 PolarHBondContact O-N 3.01Å; E394-L396 VanDerWaalsContact C-N 3.27Å; E394-L396 PolarHBondContact O-N 3.01Å; L396-P410 HydrophobicContact CD1-CB 3.9Å; L396-P410 HydrophobicContact CD1-CG 3.9Å; L396-R416 PolarHBondContact O-NH1 3.1Å; L396-R416 PolarHBondContact O-NH2 3.34Å; L396-I419 HydrophobicContact CD2-CD1 4.02Å; L396-Y421 HydrophobicContact CD2-CE1 4.5Å; L396-Y421 VanDerWaalsContact CD2-OH 3.28Å; L396-Y421 WeakPolarHBondContact CD2-OH 3.42Å
397	K	86.9	Confident	89.2	Confident	164 Å²	164	42.9 Å²	42.9	71%	0.713	22%	0.223	S	C	*	.	H	α-helix	trans	-80.2	-20.1	176.6	-63.6	170.3	-172.6	170.2	0	112.8	E393 E394 L395 N399	E393-K397 PolarHBondContact O-N 3.12Å; E394-K397 WeakPolarHBondContact O-CA 3.49Å; E394-K397 WeakPolarHBondContact O-CB 3.47Å; E394-K397 PolarHBondContact O-N 3.11Å; L395-K397 PolarHBondContact O-N 3.4Å; K397-N399 PolarHBondContact O-N 2.89Å
398	S	84	Confident	89.1	Confident	42 Å²	42	44.5 Å²	44.5	29%	0.294	23%	0.231	S	C	.	.	H	α-helix	trans	-73.3	-22.2	-173.3	74.3	0	0	0	0	115.6	E394 L395 T400	E394-S398 PolarHBondContact O-N 3.39Å; L395-S398 WeakPolarHBondContact O-CB 3.41Å; L395-S398 PolarHBondContact O-N 3.21Å; L395-S398 VanDerWaalsContact O-N 3.17Å; L395-S398 PolarHBondContact O-OG 3.19Å; S398-T400 PolarHBondContact O-N 3.25Å; S398-T400 PolarHBondContact OG-N 3.41Å
399	N	77.5	Confident	88.8	Confident	126 Å²	126	43.3 Å²	43.3	67%	0.674	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	33.7	-170.7	-66	-31	0	0	0	114.1	K397	K397-N399 PolarHBondContact O-N 2.89Å
400	T	82	Confident	88.6	Confident	15 Å²	15	40.6 Å²	40.6	9%	0.092	21%	0.213	C	C	.	.			trans	-56.6	139	179.5	-177.9	0	0	0	0	112.3	L372 L395 S398 L402 V404 N418	L372-T400 HydrophobicContact CD1-CG2 4.47Å; L395-T400 HydrophobicContact CD1-CG2 3.7Å; S398-T400 PolarHBondContact O-N 3.25Å; S398-T400 PolarHBondContact OG-N 3.41Å; T400-L402 VanDerWaalsContact C-N 3.3Å; T400-L402 WeakPolarHBondContact OG1-CB 3.35Å; T400-L402 WeakPolarHBondContact OG1-CG 3.5Å; T400-L402 PolarHBondContact OG1-N 3.29Å; T400-V404 HydrophobicContact CG2-CG2 4.06Å; T400-N418 PolarHBondContact O-ND2 3.02Å
401	P	77.2	Confident	87.9	Confident	91 Å²	91	40.8 Å²	40.8	59%	0.591	21%	0.21	S	C	*	.			trans	-82	-7.2	172.9	34.5	-36.1	0	0	0	113.2
402	L	85.5	Confident	87.1	Confident	14 Å²	14	45.8 Å²	45.8	7%	0.073	24%	0.237	C	C	.	.	S	Bend	trans	-69.3	148.7	-177.4	-60.8	174.6	0	0	0	111.2	L372 V375 Q376 A380 V383 T400 V404 N418	L372-L402 HydrophobicContact CD2-CD1 4.4Å; V375-L402 HydrophobicContact CB-CD1 4.19Å; V375-L402 HydrophobicContact CG1-CD1 3.74Å; Q376-L402 HydrophobicContact CB-CD1 4.43Å; Q376-L402 HydrophobicContact CB-CD2 4.32Å; Q376-L402 HydrophobicContact CG-CD2 4.43Å; A380-L402 VanDerWaalsContact O-CD2 3.31Å; A380-L402 WeakPolarHBondContact O-CD2 3.39Å; V383-L402 HydrophobicContact CG2-CB 4.16Å; V383-L402 HydrophobicContact CG2-CD1 3.74Å; T400-L402 VanDerWaalsContact C-N 3.3Å; T400-L402 WeakPolarHBondContact OG1-CB 3.35Å; T400-L402 WeakPolarHBondContact OG1-CG 3.5Å; T400-L402 PolarHBondContact OG1-N 3.29Å; L402-V404 HydrophobicContact CB-CG2 4.29Å; L402-V404 WeakPolarHBondContact O-CG2 3.39Å; L402-N418 PolarHBondContact O-ND2 2.78Å
403	N	88.2	Confident	86.5	Confident	16 Å²	16	50.7 Å²	50.7	9%	0.086	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	127.1	167.3	-71	-48.1	0	0	0	108.9	K252 A254 S381 I382 V383 N418 F634	K252-N403 PolarHBondContact O-ND2 2.92Å; A254-N403 HydrophobicContact CB-CB 4.41Å; A254-N403 WeakPolarHBondContact CB-ND2 3.41Å; S381-N403 PolarHBondContact O-N 3.07Å; I382-N403 CarbonylContact C-O 3.59Å; I382-N403 VanDerWaalsContact CA-O 3.3Å; I382-N403 WeakPolarHBondContact CA-O 3.5Å; I382-N403 HydrophobicContact CG1-CB 4.45Å; V383-N403 PolarHBondContact N-O 3.03Å; N403-N418 CarbonylContact C-O 3.57Å; N403-N418 WeakPolarHBondContact CA-O 3.44Å; N403-F634 HydrophobicContact CB-CD1 3.89Å; N403-F634 HydrophobicContact CB-CE1 3.52Å; N403-F634 HydrophobicContact CB-CZ 3.97Å; N403-F634 WeakPolarHBondContact OD1-CE1 3.27Å
404	V	91.9	Very high	85.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	120.8	-172	-170.3	0	0	0	0	111.1	V383 G385 L395 T400 L402 N418 I419 C420 F634	V383-V404 HydrophobicContact CB-CB 4.35Å; V383-V404 HydrophobicContact CB-CG1 4.06Å; V383-V404 HydrophobicContact CB-CG2 4.05Å; V383-V404 HydrophobicContact CG1-CG1 3.97Å; V383-V404 HydrophobicContact CG2-CG2 4.46Å; V383-V404 CarbonylContact O-C 3.58Å; V383-V404 WeakPolarHBondContact O-CA 3.46Å; G385-V404 WeakPolarHBondContact O-CG1 3.46Å; L395-V404 HydrophobicContact CD1-CG1 4.25Å; L395-V404 HydrophobicContact CD1-CG2 4.13Å; L395-V404 HydrophobicContact CD2-CB 4.28Å; L395-V404 HydrophobicContact CD2-CG1 3.61Å; T400-V404 HydrophobicContact CG2-CG2 4.06Å; L402-V404 HydrophobicContact CB-CG2 4.29Å; L402-V404 WeakPolarHBondContact O-CG2 3.39Å; V404-N418 PolarHBondContact N-O 3.01Å; V404-I419 HydrophobicContact CB-CG1 4.34Å; V404-I419 CarbonylContact O-C 3.59Å; V404-I419 VanDerWaalsContact O-CA 3.31Å; V404-I419 WeakPolarHBondContact O-CA 3.47Å; V404-C420 PolarHBondContact O-N 3.2Å; V404-F634 WeakPolarHBondContact O-CE2 3.37Å
405	L	94	Very high	85.1	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.016	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	89.8	163.9	-178.9	66.7	0	0	0	108.2	V383 V384 G385 C420 F422 A627 L630 A631 F634	V383-L405 PolarHBondContact O-N 3.36Å; V384-L405 CarbonylContact C-O 3.52Å; V384-L405 WeakPolarHBondContact CA-O 3.49Å; V384-L405 HydrophobicContact CG1-CD2 4.48Å; G385-L405 PolarHBondContact N-O 3.06Å; L405-C420 CarbonylContact C-O 3.35Å; L405-C420 HydrophobicContact CD1-CB 3.82Å; L405-F422 HydrophobicContact CD1-CB 3.91Å; L405-F422 HydrophobicContact CG-CB 4.45Å; L405-A627 HydrophobicContact CD2-CB 4.46Å; L405-L630 HydrophobicContact CD2-CB 3.57Å; L405-L630 HydrophobicContact CD2-CD1 4.41Å; L405-A631 HydrophobicContact CD2-CB 4.47Å; L405-F634 HydrophobicContact CB-CD2 4.33Å; L405-F634 HydrophobicContact CB-CE2 4.42Å
406	A	95.6	Very high	84.3	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	134.2	176.8	0	0	0	0	0	110.2	V392 L395 N408 C420 Y421 F422	V392-A406 HydrophobicContact CG1-CB 4.34Å; V392-A406 HydrophobicContact CG2-CB 4.25Å; L395-A406 HydrophobicContact CD2-CB 4.24Å; A406-N408 PolarHBondContact O-N 2.6Å; A406-C420 PolarHBondContact N-O 2.95Å; A406-Y421 HydrophobicContact CB-CD1 4.02Å; A406-F422 PolarHBondContact O-N 3.18Å
407	L	95.2	Very high	83.5	Confident	2 Å²	2	59 Å²	59	1%	0.01	31%	0.305	C	S	.	.	S	Bend	trans	-89.3	25.3	-178.4	-63.6	-179.3	0	0	0	112.3	L263 I276 V384 P386 L387 F422 M623 A627	L263-L407 HydrophobicContact CD2-CD1 3.79Å; I276-L407 HydrophobicContact CG2-CD1 3.92Å; V384-L407 HydrophobicContact CG1-CD1 4.09Å; V384-L407 HydrophobicContact CG1-CD2 3.94Å; V384-L407 HydrophobicContact CG1-CG 4.13Å; P386-L407 PolarHBondContact O-N 3.3Å; L387-L407 HydrophobicContact CD1-CB 4.08Å; L387-L407 WeakPolarHBondContact CD1-O 3.48Å; L407-F422 CarbonylContact C-O 3.51Å; L407-F422 WeakPolarHBondContact CA-O 3.35Å; L407-F422 HydrophobicContact CD2-CD1 3.96Å; L407-M623 HydrophobicContact CB-CE 3.85Å; L407-M623 HydrophobicContact CD2-CE 4.17Å; L407-M623 WeakPolarHBondContact O-CE 3.44Å; L407-A627 HydrophobicContact CD2-CB 3.71Å
408	N	90.3	Very high	83.1	Confident	49 Å²	49	52.8 Å²	52.8	26%	0.262	28%	0.279	S	S	.	.	S	Bend	trans	-163.9	175	174.1	-146.2	-34.7	0	0	0	108.9	L387 V392 A406 Y421 F422	L387-N408 VanDerWaalsContact O-CB 3.25Å; L387-N408 WeakPolarHBondContact O-CB 3.35Å; L387-N408 PolarHBondContact O-ND2 3.11Å; V392-N408 HydrophobicContact CG2-CB 3.91Å; A406-N408 PolarHBondContact O-N 2.6Å; N408-Y421 WeakPolarHBondContact O-CD1 3.43Å; N408-F422 PolarHBondContact N-O 3.28Å
409	Q	87.4	Confident	83.3	Confident	43 Å²	43	51 Å²	51	20%	0.201	27%	0.266	C	S	.	.			trans	-119.2	144.7	174.7	64.5	-175.8	10.8	0	0	111.7	I413 Y421 A423 S425	Q409-I413 HydrophobicContact CB-CD1 4.48Å; Q409-I413 HydrophobicContact CB-CG1 4.48Å; Q409-Y421 HydrophobicContact CB-CG 4.45Å; Q409-A423 HydrophobicContact CG-CB 4.29Å; Q409-S425 PolarHBondContact NE2-OG 2.99Å
410	P	86.1	Confident	83.9	Confident	7 Å²	7	46.1 Å²	46.1	5%	0.045	24%	0.242	C	C	.	.			trans	-67.2	169.3	171.2	35	-41.1	0	0	0	110.5	V392 E393 L396 N412 I413 Y421	V392-P410 HydrophobicContact CG1-CB 4.46Å; E393-P410 HydrophobicContact CG-CB 4.28Å; L396-P410 HydrophobicContact CD1-CB 3.9Å; L396-P410 HydrophobicContact CD1-CG 3.9Å; P410-N412 VanDerWaalsContact C-N 3.3Å; P410-N412 WeakPolarHBondContact CG-O 3.41Å; P410-N412 PolarHBondContact O-N 2.7Å; P410-I413 HydrophobicContact CG-CG1 4.36Å; P410-Y421 VanDerWaalsContact CD-CE1 3.49Å; P410-Y421 HydrophobicContact CG-CE1 4.14Å
411	E	76	Confident	84.3	Confident	127 Å²	127	47.9 Å²	47.9	59%	0.593	25%	0.247	S	C	*	.	S	Bend	trans	-64.1	-38.8	172.9	-158.3	143.5	166.5	0	0	112.4	K389	K389-E411 VanDerWaalsContact NZ-CB 3.35Å; K389-E411 IonicContact NZ-OE2 2.71Å; K389-E411 PolarHBondContact NZ-OE2 2.97Å
412	N	77.6	Confident	85	Confident	128 Å²	128	45.3 Å²	45.3	68%	0.684	23%	0.227	S	C	*	.	S	Bend	trans	-112.8	107.4	175.7	-61.7	-51	0	0	0	108.2	P410 E414	P410-N412 VanDerWaalsContact C-N 3.3Å; P410-N412 WeakPolarHBondContact CG-O 3.41Å; P410-N412 PolarHBondContact O-N 2.7Å; N412-E414 PolarHBondContact O-N 3.48Å
413	I	80.1	Confident	85.1	Confident	103 Å²	103	45.6 Å²	45.6	53%	0.528	23%	0.231	S	C	.	.			trans	-73.8	117.9	-178.4	-59.8	175	0	0	0	109.2	Q409 P410 Y421	Q409-I413 HydrophobicContact CB-CD1 4.48Å; Q409-I413 HydrophobicContact CB-CG1 4.48Å; P410-I413 HydrophobicContact CG-CG1 4.36Å; I413-Y421 HydrophobicContact CG2-CD2 3.94Å; I413-Y421 HydrophobicContact CG2-CE2 3.69Å
414	E	77.2	Confident	85	Confident	91 Å²	91	48.2 Å²	48.2	43%	0.425	24%	0.244	S	C	.	.			trans	-99.7	131.1	170.9	-69.5	178.7	-159	0	0	110.2	N412 R416 Y421	N412-E414 PolarHBondContact O-N 3.48Å; E414-R416 PolarHBondContact O-N 3.16Å; E414-R416 IonicContact OE2-CZ 3.05Å; E414-R416 IonicContact OE2-NE 3.01Å; E414-R416 PolarHBondContact OE2-NE 3.49Å; E414-R416 IonicContact OE2-NH2 2.84Å; E414-R416 PolarHBondContact OE2-NH2 3.26Å; E414-Y421 WeakPolarHBondContact O-CE2 3.33Å; E414-Y421 PolarHBondContact O-OH 2.85Å
415	N	75.3	Confident	84.8	Confident	123 Å²	123	48.8 Å²	48.8	66%	0.658	25%	0.248	S	C	*	.			trans	-77.7	111.7	173.6	-174.1	14.8	0	0	0	109.9
416	R	75.9	Confident	84.6	Confident	54 Å²	54	50.6 Å²	50.6	20%	0.204	26%	0.261	C	S	.	.			trans	-121.8	145.4	175.4	-64.7	-168.7	179.5	-163.8	4.9	111	L396 E414 N418 I419 R638	L396-R416 PolarHBondContact O-NH1 3.1Å; L396-R416 PolarHBondContact O-NH2 3.34Å; E414-R416 PolarHBondContact O-N 3.16Å; E414-R416 IonicContact OE2-CZ 3.05Å; E414-R416 IonicContact OE2-NE 3.01Å; E414-R416 PolarHBondContact OE2-NE 3.49Å; E414-R416 IonicContact OE2-NH2 2.84Å; E414-R416 PolarHBondContact OE2-NH2 3.26Å; R416-N418 VanDerWaalsContact C-N 3.27Å; R416-N418 PolarHBondContact O-N 3.28Å; R416-I419 HydrophobicContact CB-CB 4.14Å; R416-I419 HydrophobicContact CB-CD1 4.36Å; R416-I419 HydrophobicContact CB-CG1 4.13Å; R416-I419 PolarHBondContact O-N 2.94Å; R416-R638 PolarHBondContact O-NH2 3.35Å
417	V	70.2	Confident	84.4	Confident	41 Å²	41	51.9 Å²	51.9	25%	0.248	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-39.1	-172	-173.9	0	0	0	0	112.4	N247 A250 R638	N247-V417 HydrophobicContact CB-CG1 4.05Å; N247-V417 HydrophobicContact CB-CG2 4.36Å; N247-V417 WeakPolarHBondContact OD1-CG2 3.3Å; A250-V417 HydrophobicContact CB-CG1 4.46Å; V417-R638 VanDerWaalsContact CA-NH2 3.34Å; V417-R638 PolarHBondContact O-NE 2.89Å; V417-R638 PolarHBondContact O-NH2 3.49Å
418	N	78.8	Confident	84	Confident	33 Å²	33	55.2 Å²	55.2	18%	0.176	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	10.9	-173.5	64.2	-49.5	0	0	0	113.3	T400 L402 N403 V404 R416	T400-N418 PolarHBondContact O-ND2 3.02Å; L402-N418 PolarHBondContact O-ND2 2.78Å; N403-N418 CarbonylContact C-O 3.57Å; N403-N418 WeakPolarHBondContact CA-O 3.44Å; V404-N418 PolarHBondContact N-O 3.01Å; R416-N418 VanDerWaalsContact C-N 3.27Å; R416-N418 PolarHBondContact O-N 3.28Å
419	I	87.9	Confident	84.2	Confident	5 Å²	5	54.5 Å²	54.5	3%	0.026	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128	-179.5	-51.3	-173.3	0	0	0	110.8	L395 L396 V404 R416 Y421	L395-I419 HydrophobicContact CD2-CD1 4.1Å; L395-I419 HydrophobicContact CD2-CG2 4.28Å; L395-I419 HydrophobicContact CG-CD1 4.06Å; L396-I419 HydrophobicContact CD2-CD1 4.02Å; V404-I419 HydrophobicContact CB-CG1 4.34Å; V404-I419 CarbonylContact O-C 3.59Å; V404-I419 VanDerWaalsContact O-CA 3.31Å; V404-I419 WeakPolarHBondContact O-CA 3.47Å; R416-I419 HydrophobicContact CB-CB 4.14Å; R416-I419 HydrophobicContact CB-CD1 4.36Å; R416-I419 HydrophobicContact CB-CG1 4.13Å; R416-I419 PolarHBondContact O-N 2.94Å; I419-Y421 HydrophobicContact CG2-CD1 4.32Å; I419-Y421 HydrophobicContact CG2-CE1 3.82Å
420	C	89.8	Confident	84.6	Confident	23 Å²	23	52.4 Å²	52.4	16%	0.155	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	145.6	165.4	-68.7	0	0	0	0	109.6	V404 L405 A406 F634 R638	V404-C420 PolarHBondContact O-N 3.2Å; L405-C420 CarbonylContact C-O 3.35Å; L405-C420 HydrophobicContact CD1-CB 3.82Å; A406-C420 PolarHBondContact N-O 2.95Å; C420-F634 HydrophobicContact CB-CE2 3.92Å; C420-R638 WeakPolarHBondContact SG-CD 3.43Å
421	Y	91	Very high	85	Confident	52 Å²	52	55.2 Å²	55.2	20%	0.204	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.1	173.7	-48.1	-78.9	0	0	0	108.6	V392 L396 A406 N408 Q409 P410 I413 E414 I419	V392-Y421 HydrophobicContact CG1-CD1 4.24Å; V392-Y421 HydrophobicContact CG1-CE1 4.11Å; L396-Y421 HydrophobicContact CD2-CE1 4.5Å; L396-Y421 VanDerWaalsContact CD2-OH 3.28Å; L396-Y421 WeakPolarHBondContact CD2-OH 3.42Å; A406-Y421 HydrophobicContact CB-CD1 4.02Å; N408-Y421 WeakPolarHBondContact O-CD1 3.43Å; Q409-Y421 HydrophobicContact CB-CG 4.45Å; P410-Y421 VanDerWaalsContact CD-CE1 3.49Å; P410-Y421 HydrophobicContact CG-CE1 4.14Å; I413-Y421 HydrophobicContact CG2-CD2 3.94Å; I413-Y421 HydrophobicContact CG2-CE2 3.69Å; E414-Y421 WeakPolarHBondContact O-CE2 3.33Å; E414-Y421 PolarHBondContact O-OH 2.85Å; I419-Y421 HydrophobicContact CG2-CD1 4.32Å; I419-Y421 HydrophobicContact CG2-CE1 3.82Å
422	F	91.2	Very high	85.7	Confident	38 Å²	38	53 Å²	53	17%	0.167	27%	0.272	C	S	.	.			trans	-123.1	108.5	173.2	175.5	-128.5	0	0	0	108.1	L405 A406 L407 N408 M623 D626 A627 L630	L405-F422 HydrophobicContact CD1-CB 3.91Å; L405-F422 HydrophobicContact CG-CB 4.45Å; A406-F422 PolarHBondContact O-N 3.18Å; L407-F422 CarbonylContact C-O 3.51Å; L407-F422 WeakPolarHBondContact CA-O 3.35Å; L407-F422 HydrophobicContact CD2-CD1 3.96Å; N408-F422 PolarHBondContact N-O 3.28Å; F422-M623 HydrophobicContact CD1-CE 4.01Å; F422-M623 HydrophobicContact CD1-CG 4.14Å; F422-M623 HydrophobicContact CE1-CB 4.43Å; F422-M623 HydrophobicContact CE1-CE 4.27Å; F422-M623 HydrophobicContact CE1-CG 3.53Å; F422-M623 HydrophobicContact CZ-CG 4.18Å; F422-M623 WeakPolarHBondContact O-CE 3.39Å; F422-D626 HydrophobicContact CE1-CB 3.82Å; F422-D626 HydrophobicContact CZ-CB 3.58Å; F422-A627 HydrophobicContact CD1-CB 4.44Å; F422-A627 HydrophobicContact CE1-CB 4.44Å; F422-L630 HydrophobicContact CB-CD1 4.21Å; F422-L630 HydrophobicContact CD1-CD1 3.63Å; F422-L630 HydrophobicContact CD2-CD1 3.68Å; F422-L630 HydrophobicContact CE1-CD1 3.81Å; F422-L630 HydrophobicContact CE2-CD1 3.88Å; F422-L630 HydrophobicContact CG-CD1 3.56Å; F422-L630 HydrophobicContact CZ-CD1 3.94Å
423	A	87.3	Confident	86.6	Confident	19 Å²	19	47.4 Å²	47.4	16%	0.157	24%	0.243	C	C	.	.			trans	-134.4	146.1	-174.7	0	0	0	0	0	110.6	Q409 S425	Q409-A423 HydrophobicContact CG-CB 4.29Å; A423-S425 VanDerWaalsContact C-N 3.32Å; A423-S425 PolarHBondContact O-N 3.34Å
424	L	87.3	Confident	87.4	Confident	71 Å²	71	42.5 Å²	42.5	37%	0.372	22%	0.218	S	C	.	.			trans	-89.8	72.7	167.3	-61.3	-179.2	0	0	0	108.9	R619 M620 M623	L424-R619 HydrophobicContact CD1-CB 4.01Å; L424-M620 HydrophobicContact CD1-CE 4.08Å; L424-M623 HydrophobicContact CD1-CB 4.1Å; L424-M623 HydrophobicContact CD1-CG 4.49Å; L424-M623 HydrophobicContact CD1-SD 4.3Å; L424-M623 HydrophobicContact CG-CG 4.48Å; L424-M623 HydrophobicContact CG-SD 4.21Å
425	S	86.4	Confident	88.3	Confident	12 Å²	12	42.3 Å²	42.3	8%	0.084	21%	0.213	C	C	.	.			trans	-85.8	126.6	-170.9	177.1	0	0	0	0	112	Q409 A423 E427 D428 E429	Q409-S425 PolarHBondContact NE2-OG 2.99Å; A423-S425 VanDerWaalsContact C-N 3.32Å; A423-S425 PolarHBondContact O-N 3.34Å; S425-E427 PolarHBondContact O-N 3.05Å; S425-E427 PolarHBondContact OG-N 3.22Å; S425-E427 PolarHBondContact OG-OE2 3.26Å; S425-D428 WeakPolarHBondContact CB-OD2 3.35Å; S425-D428 PolarHBondContact O-N 3.49Å; S425-E429 PolarHBondContact O-N 3.45Å
426	P	90.7	Very high	89.3	Confident	42 Å²	42	40.5 Å²	40.5	27%	0.273	20%	0.201	S	C	.	.	H	α-helix	trans	-64.3	-22.7	174.9	25.5	-31.3	0	0	0	112.5	A430 L454 V458	P426-A430 WeakPolarHBondContact O-CB 3.35Å; P426-A430 PolarHBondContact O-N 3.29Å; P426-L454 HydrophobicContact CB-CD1 4.35Å; P426-L454 HydrophobicContact CG-CD1 3.56Å; P426-V458 HydrophobicContact CB-CG2 3.94Å; P426-V458 HydrophobicContact CG-CG2 4.36Å
427	E	91.2	Very high	90.2	Very high	27 Å²	27	37.9 Å²	37.9	13%	0.126	19%	0.191	C	C	.	.	H	α-helix	trans	-67	-37.8	171.1	-66	84.2	168.3	0	0	111.9	S425 A430 R431 R457 A461	S425-E427 PolarHBondContact O-N 3.05Å; S425-E427 PolarHBondContact OG-N 3.22Å; S425-E427 PolarHBondContact OG-OE2 3.26Å; E427-A430 WeakPolarHBondContact O-CB 3.4Å; E427-A430 PolarHBondContact O-N 3.08Å; E427-R431 WeakPolarHBondContact O-CG 3.48Å; E427-R431 PolarHBondContact O-N 2.88Å; E427-R457 HydrophobicContact CG-CB 4.05Å; E427-R457 WeakPolarHBondContact OE1-CB 3.39Å; E427-R457 IonicContact OE1-CZ 3.9Å; E427-R457 IonicContact OE1-NE 3.35Å; E427-R457 PolarHBondContact OE1-NE 3.28Å; E427-R457 IonicContact OE1-NH2 3.17Å; E427-A461 HydrophobicContact CB-CB 3.72Å; E427-A461 HydrophobicContact CG-CB 4.05Å
428	D	87.5	Confident	91.3	Very high	72 Å²	72	39 Å²	39	39%	0.385	19%	0.191	S	C	.	.	H	α-helix	trans	-71.5	-39.6	177.5	-68	-27.5	0	0	0	111.2	S425 A430 R431 D432	S425-D428 WeakPolarHBondContact CB-OD2 3.35Å; S425-D428 PolarHBondContact O-N 3.49Å; D428-A430 VanDerWaalsContact C-N 3.29Å; D428-A430 PolarHBondContact O-N 2.89Å; D428-R431 PolarHBondContact O-N 3.33Å; D428-D432 PolarHBondContact O-N 3.21Å
429	E	93.1	Very high	91.9	Very high	33 Å²	33	43.9 Å²	43.9	15%	0.154	22%	0.217	C	C	.	.	H	α-helix	trans	-60.5	-38.6	171.3	-173	169.1	-152.2	0	0	111.6	S425 D432 A433 S570 S591	S425-E429 PolarHBondContact O-N 3.45Å; E429-D432 PolarHBondContact O-N 3.26Å; E429-A433 WeakPolarHBondContact O-CB 3.03Å; E429-A433 PolarHBondContact O-N 3.09Å; E429-S570 WeakPolarHBondContact OE1-CB 3.3Å; E429-S570 PolarHBondContact OE1-N 3.39Å; E429-S570 PolarHBondContact OE1-OG 3.08Å; E429-S570 VanDerWaalsContact OE1-OG 3.06Å; E429-S570 PolarHBondContact OE2-OG 3.02Å; E429-S591 VanDerWaalsContact CG-OG 3.25Å; E429-S591 WeakPolarHBondContact CG-OG 3.3Å; E429-S591 VanDerWaalsContact OE1-CB 3.23Å; E429-S591 WeakPolarHBondContact OE1-CB 3.46Å; E429-S591 PolarHBondContact OE1-OG 3.41Å
430	A	95.8	Very high	92.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.5	-38.4	174.4	0	0	0	0	0	113.1	P426 E427 D428 D432 A433 A434 V458 A461 F462 Y539	P426-A430 WeakPolarHBondContact O-CB 3.35Å; P426-A430 PolarHBondContact O-N 3.29Å; E427-A430 WeakPolarHBondContact O-CB 3.4Å; E427-A430 PolarHBondContact O-N 3.08Å; D428-A430 VanDerWaalsContact C-N 3.29Å; D428-A430 PolarHBondContact O-N 2.89Å; A430-D432 VanDerWaalsContact C-N 3.31Å; A430-A433 PolarHBondContact O-N 3.3Å; A430-A434 WeakPolarHBondContact O-CB 3.3Å; A430-A434 PolarHBondContact O-N 3.29Å; A430-V458 HydrophobicContact CB-CG1 3.83Å; A430-A461 HydrophobicContact CB-CB 4.47Å; A430-F462 HydrophobicContact CB-CB 4.22Å; A430-F462 VanDerWaalsContact O-CD2 3.24Å; A430-F462 WeakPolarHBondContact O-CD2 3.16Å; A430-Y539 HydrophobicContact CB-CE1 3.93Å
431	R	94.5	Very high	92.2	Very high	65 Å²	65	48.4 Å²	48.4	25%	0.245	25%	0.248	C	C	.	.	H	α-helix	trans	-64.3	-39.1	172	-64.4	-179.7	-173.9	-76.9	-6.9	110.9	E427 D428 A434 R435 A461 E465	E427-R431 WeakPolarHBondContact O-CG 3.48Å; E427-R431 PolarHBondContact O-N 2.88Å; D428-R431 PolarHBondContact O-N 3.33Å; R431-A434 WeakPolarHBondContact O-CB 3.25Å; R431-A434 PolarHBondContact O-N 2.89Å; R431-R435 PolarHBondContact O-N 3Å; R431-A461 HydrophobicContact CG-CB 4.37Å; R431-E465 HydrophobicContact CB-CB 4.07Å; R431-E465 HydrophobicContact CB-CG 3.94Å; R431-E465 HydrophobicContact CG-CB 4Å; R431-E465 HydrophobicContact CG-CG 4.33Å; R431-E465 IonicContact NH1-OE2 2.77Å
432	D	91.9	Very high	92.3	Very high	82 Å²	82	47.7 Å²	47.7	44%	0.439	25%	0.246	S	C	.	.	H	α-helix	trans	-66.6	-43.2	176.7	-156.8	54.9	0	0	0	112.5	D428 E429 A430 A434 R435 H436	D428-D432 PolarHBondContact O-N 3.21Å; E429-D432 PolarHBondContact O-N 3.26Å; A430-D432 VanDerWaalsContact C-N 3.31Å; D432-A434 VanDerWaalsContact C-N 3.31Å; D432-A434 PolarHBondContact O-N 3.15Å; D432-R435 VanDerWaalsContact CA-NH2 3.25Å; D432-R435 PolarHBondContact O-N 2.78Å; D432-R435 IonicContact OD1-CZ 3.13Å; D432-R435 IonicContact OD1-NE 2.78Å; D432-R435 IonicContact OD1-NH2 3.96Å; D432-R435 PolarHBondContact OD1-NH2 2.73Å; D432-H436 WeakPolarHBondContact O-CB 3.48Å; D432-H436 PolarHBondContact O-N 3.32Å
433	A	96.3	Very high	92.3	Very high	10 Å²	10	51 Å²	51	8%	0.083	26%	0.262	C	S	.	.	H	α-helix	trans	-58.5	-42	171.6	0	0	0	0	0	111.7	E429 A430 R435 H436 I437 F462 Y539	E429-A433 WeakPolarHBondContact O-CB 3.03Å; E429-A433 PolarHBondContact O-N 3.09Å; A430-A433 PolarHBondContact O-N 3.3Å; A433-R435 PolarHBondContact O-N 2.93Å; A433-H436 PolarHBondContact O-N 3.38Å; A433-I437 VanDerWaalsContact O-CB 3.23Å; A433-I437 WeakPolarHBondContact O-CB 3.19Å; A433-I437 WeakPolarHBondContact O-CD1 3.48Å; A433-I437 WeakPolarHBondContact O-CG1 3.42Å; A433-I437 PolarHBondContact O-N 2.96Å; A433-F462 HydrophobicContact CB-CD2 4.38Å; A433-F462 HydrophobicContact CB-CE2 4.06Å; A433-Y539 HydrophobicContact CB-CD1 4.38Å; A433-Y539 HydrophobicContact CB-CD2 3.61Å; A433-Y539 HydrophobicContact CB-CE1 4.13Å; A433-Y539 HydrophobicContact CB-CE2 3.32Å; A433-Y539 HydrophobicContact CB-CG 4.14Å
434	A	97	Very high	92.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.8	-44.9	176.5	0	0	0	0	0	112.1	A430 R431 D432 R438 F462 E465 W466	A430-A434 WeakPolarHBondContact O-CB 3.3Å; A430-A434 PolarHBondContact O-N 3.29Å; R431-A434 WeakPolarHBondContact O-CB 3.25Å; R431-A434 PolarHBondContact O-N 2.89Å; D432-A434 VanDerWaalsContact C-N 3.31Å; D432-A434 PolarHBondContact O-N 3.15Å; A434-R438 VanDerWaalsContact O-CB 3.28Å; A434-R438 WeakPolarHBondContact O-CB 3.42Å; A434-R438 PolarHBondContact O-N 3.06Å; A434-R438 VanDerWaalsContact O-N 3.08Å; A434-F462 HydrophobicContact CB-CD1 4.24Å; A434-F462 HydrophobicContact CB-CD2 3.91Å; A434-F462 HydrophobicContact CB-CE1 4.18Å; A434-F462 HydrophobicContact CB-CE2 3.86Å; A434-F462 HydrophobicContact CB-CG 4.1Å; A434-F462 HydrophobicContact CB-CZ 3.99Å; A434-E465 HydrophobicContact CB-CB 3.96Å; A434-E465 HydrophobicContact CB-CG 4.12Å; A434-W466 HydrophobicContact CB-CE3 4.23Å; A434-W466 WeakPolarHBondContact O-CZ3 3.5Å
435	R	95.9	Very high	92.9	Very high	86 Å²	86	47.4 Å²	47.4	33%	0.325	24%	0.243	S	C	.	.	H	α-helix	trans	-61.6	-50	173.6	-71.5	-175.8	-63.6	-91.6	0.8	111.5	R431 D432 A433 I437 R438 D439 E465 L469	R431-R435 PolarHBondContact O-N 3Å; D432-R435 VanDerWaalsContact CA-NH2 3.25Å; D432-R435 PolarHBondContact O-N 2.78Å; D432-R435 IonicContact OD1-CZ 3.13Å; D432-R435 IonicContact OD1-NE 2.78Å; D432-R435 IonicContact OD1-NH2 3.96Å; D432-R435 PolarHBondContact OD1-NH2 2.73Å; A433-R435 PolarHBondContact O-N 2.93Å; R435-I437 PolarHBondContact O-N 3.15Å; R435-R438 WeakPolarHBondContact O-CB 3.32Å; R435-R438 PolarHBondContact O-N 3.3Å; R435-D439 WeakPolarHBondContact O-CB 3.15Å; R435-D439 VanDerWaalsContact O-CG 3.25Å; R435-D439 PolarHBondContact O-N 3.34Å; R435-E465 HydrophobicContact CG-CG 4.2Å; R435-E465 IonicContact CZ-OE1 3.42Å; R435-E465 IonicContact NH1-OE1 2.9Å; R435-E465 PolarHBondContact NH1-OE1 2.84Å; R435-L469 HydrophobicContact CB-CD1 4.34Å; R435-L469 HydrophobicContact CG-CD1 3.83Å; R435-L469 HydrophobicContact CG-CD2 4.29Å
436	H	94.9	Very high	93.4	Very high	85 Å²	85	46.9 Å²	46.9	39%	0.394	24%	0.239	S	C	.	.	H	α-helix	trans	-60.9	-45.9	-178	-172.6	71.3	0	0	0	112.7	D432 A433 R438 D439 Q440 Y567	D432-H436 WeakPolarHBondContact O-CB 3.48Å; D432-H436 PolarHBondContact O-N 3.32Å; A433-H436 PolarHBondContact O-N 3.38Å; H436-R438 VanDerWaalsContact C-N 3.29Å; H436-R438 PolarHBondContact O-N 3.43Å; H436-D439 PolarHBondContact O-N 3.33Å; H436-Q440 PolarHBondContact NE2-NE2 3.28Å; H436-Q440 WeakPolarHBondContact O-CG 3.43Å; H436-Q440 PolarHBondContact O-N 2.85Å; H436-Y567 AromaticContact CD2-CE1 3.91Å
437	I	95.8	Very high	93.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.5	-38.2	177.9	-69.9	170.9	0	0	0	110.5	A433 R435 Q440 K442 F462 W466 A537 Y567	A433-I437 VanDerWaalsContact O-CB 3.23Å; A433-I437 WeakPolarHBondContact O-CB 3.19Å; A433-I437 WeakPolarHBondContact O-CD1 3.48Å; A433-I437 WeakPolarHBondContact O-CG1 3.42Å; A433-I437 PolarHBondContact O-N 2.96Å; R435-I437 PolarHBondContact O-N 3.15Å; I437-Q440 PolarHBondContact O-N 2.87Å; I437-K442 HydrophobicContact CG2-CB 3.63Å; I437-K442 HydrophobicContact CG2-CG 3.96Å; I437-K442 WeakPolarHBondContact O-CB 3.45Å; I437-K442 WeakPolarHBondContact O-CG 3.36Å; I437-K442 PolarHBondContact O-N 3Å; I437-F462 HydrophobicContact CD1-CE2 3.86Å; I437-F462 HydrophobicContact CD1-CZ 3.86Å; I437-W466 HydrophobicContact CB-CZ3 4.08Å; I437-W466 HydrophobicContact CG2-CH2 3.89Å; I437-W466 HydrophobicContact CG2-CZ3 3.77Å; I437-A537 HydrophobicContact CG2-CB 3.67Å; I437-Y567 HydrophobicContact CD1-CD1 4.42Å; I437-Y567 HydrophobicContact CD1-CD2 3.66Å; I437-Y567 HydrophobicContact CD1-CE2 4.04Å; I437-Y567 HydrophobicContact CD1-CG 3.86Å; I437-Y567 HydrophobicContact CG1-CD1 3.97Å; I437-Y567 HydrophobicContact CG1-CD2 3.73Å; I437-Y567 HydrophobicContact CG1-CE1 3.89Å; I437-Y567 HydrophobicContact CG1-CE2 3.65Å; I437-Y567 HydrophobicContact CG1-CG 3.88Å; I437-Y567 HydrophobicContact CG2-CE2 4.48Å
438	R	93.2	Very high	94	Very high	65 Å²	65	43.7 Å²	43.7	25%	0.245	22%	0.22	C	C	.	.	H	α-helix	trans	-66.6	-43.2	175.9	-175.4	61.4	173.9	157.8	-2.2	111.8	A434 R435 H436 Q440 G441 K442 W466 L469	A434-R438 VanDerWaalsContact O-CB 3.28Å; A434-R438 WeakPolarHBondContact O-CB 3.42Å; A434-R438 PolarHBondContact O-N 3.06Å; A434-R438 VanDerWaalsContact O-N 3.08Å; R435-R438 WeakPolarHBondContact O-CB 3.32Å; R435-R438 PolarHBondContact O-N 3.3Å; H436-R438 VanDerWaalsContact C-N 3.29Å; H436-R438 PolarHBondContact O-N 3.43Å; R438-Q440 PolarHBondContact O-N 3.35Å; R438-G441 WeakPolarHBondContact O-CA 3.42Å; R438-G441 PolarHBondContact O-N 2.95Å; R438-K442 PolarHBondContact NH1-O 3.43Å; R438-W466 HydrophobicContact CB-CE3 4.37Å; R438-W466 HydrophobicContact CB-CH2 4.12Å; R438-W466 HydrophobicContact CB-CZ3 3.72Å; R438-L469 HydrophobicContact CB-CD1 4.02Å; R438-L469 HydrophobicContact CG-CB 4.24Å; R438-L469 HydrophobicContact CG-CD1 4.24Å
439	D	91.7	Very high	94.5	Very high	135 Å²	135	40.2 Å²	40.2	72%	0.722	20%	0.202	S	C	*	.	H	α-helix	trans	-64	-28.9	176.9	-70	-14.6	0	0	0	112	R435 H436 G441	R435-D439 WeakPolarHBondContact O-CB 3.15Å; R435-D439 VanDerWaalsContact O-CG 3.25Å; R435-D439 PolarHBondContact O-N 3.34Å; H436-D439 PolarHBondContact O-N 3.33Å; D439-G441 PolarHBondContact O-N 3.5Å
440	Q	92	Very high	94.5	Very high	76 Å²	76	39.2 Å²	39.2	36%	0.355	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	6.6	169.7	-67	-160.6	19.4	0	0	113.9	H436 I437 R438 K442 Y567	H436-Q440 PolarHBondContact NE2-NE2 3.28Å; H436-Q440 WeakPolarHBondContact O-CG 3.43Å; H436-Q440 PolarHBondContact O-N 2.85Å; I437-Q440 PolarHBondContact O-N 2.87Å; R438-Q440 PolarHBondContact O-N 3.35Å; Q440-K442 VanDerWaalsContact C-N 3.32Å; Q440-K442 HydrophobicContact CB-CG 4.36Å; Q440-K442 PolarHBondContact O-N 3.42Å; Q440-Y567 VanDerWaalsContact CD-OH 3.26Å; Q440-Y567 PolarHBondContact OE1-OH 3.31Å
441	G	91.4	Very high	94.4	Very high	47 Å²	47	46.6 Å²	46.6	49%	0.485	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	6.8	174.2	0	0	0	0	0	115.4	R438 D439 Q443	R438-G441 WeakPolarHBondContact O-CA 3.42Å; R438-G441 PolarHBondContact O-N 2.95Å; D439-G441 PolarHBondContact O-N 3.5Å; G441-Q443 PolarHBondContact O-NE2 3.34Å
442	K	93.3	Very high	94.1	Very high	36 Å²	36	45.6 Å²	45.6	16%	0.157	23%	0.229	C	C	.	.			trans	-70.4	148.9	-179.5	-52.6	-63	-172.1	163.2	0	111.3	I437 R438 Q440 W466 D536 A537 T565	I437-K442 HydrophobicContact CG2-CB 3.63Å; I437-K442 HydrophobicContact CG2-CG 3.96Å; I437-K442 WeakPolarHBondContact O-CB 3.45Å; I437-K442 WeakPolarHBondContact O-CG 3.36Å; I437-K442 PolarHBondContact O-N 3Å; R438-K442 PolarHBondContact NH1-O 3.43Å; Q440-K442 VanDerWaalsContact C-N 3.32Å; Q440-K442 HydrophobicContact CB-CG 4.36Å; Q440-K442 PolarHBondContact O-N 3.42Å; K442-W466 WeakPolarHBondContact O-CH2 3.33Å; K442-D536 WeakPolarHBondContact CA-OD2 3.38Å; K442-D536 HydrophobicContact CD-CB 4.36Å; K442-D536 PolarHBondContact NZ-O 3.07Å; K442-D536 VanDerWaalsContact NZ-O 3.15Å; K442-A537 HydrophobicContact CB-CB 3.98Å; K442-A537 HydrophobicContact CD-CB 4.4Å; K442-A537 HydrophobicContact CG-CB 3.97Å; K442-T565 WeakPolarHBondContact CE-OG1 3.31Å; K442-T565 PolarHBondContact NZ-OG1 3.43Å
443	Q	90.9	Very high	93.9	Very high	107 Å²	107	45.7 Å²	45.7	50%	0.5	24%	0.236	S	C	.	.			trans	-123.5	-30.8	-172.3	-56.2	-61.5	-41.4	0	0	113.8	G441 P445 D536	G441-Q443 PolarHBondContact O-NE2 3.34Å; Q443-P445 WeakPolarHBondContact O-CD 3.26Å; Q443-D536 PolarHBondContact N-OD1 2.88Å; Q443-D536 PolarHBondContact N-OD2 3.07Å
444	A	91.7	Very high	93.5	Very high	16 Å²	16	46.8 Å²	46.8	13%	0.132	24%	0.241	C	C	.	.	S	Bend	trans	-126.4	72.9	-170.2	0	0	0	0	0	111.1	V535 D536	A444-V535 WeakPolarHBondContact O-CA 3.43Å; A444-D536 VanDerWaalsContact C-OD1 3.31Å; A444-D536 WeakPolarHBondContact CA-OD1 2.94Å; A444-D536 PolarHBondContact N-OD1 3.37Å; A444-D536 PolarHBondContact O-N 3.08Å
445	P	96.2	Very high	93.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	141.3	-178.1	31.9	-35.7	0	0	0	112.4	Q443 F462 W466 V474 L475 A537	Q443-P445 WeakPolarHBondContact O-CD 3.26Å; P445-F462 HydrophobicContact CB-CE1 3.99Å; P445-F462 HydrophobicContact CB-CZ 4.14Å; P445-F462 HydrophobicContact CG-CE1 3.97Å; P445-W466 VanDerWaalsContact CD-CZ2 3.49Å; P445-W466 HydrophobicContact CG-CD2 3.89Å; P445-W466 HydrophobicContact CG-CE3 4.29Å; P445-W466 HydrophobicContact CG-CG 4.43Å; P445-W466 HydrophobicContact CG-CH2 4.12Å; P445-W466 HydrophobicContact CG-CZ2 3.69Å; P445-W466 HydrophobicContact CG-CZ3 4.38Å; P445-V474 HydrophobicContact CG-CG1 4.29Å; P445-V474 HydrophobicContact CG-CG2 4.08Å; P445-L475 PolarHBondContact O-N 3.06Å; P445-L475 VanDerWaalsContact O-N 3.14Å; P445-A537 WeakPolarHBondContact CA-O 3.46Å
446	L	96.7	Very high	93.1	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.8	164.2	175.7	64.7	0	0	0	109.5	L475 Q477 L497 V535 A537 V538 Y539	L446-L475 CarbonylContact C-O 3.51Å; L446-L475 WeakPolarHBondContact CA-O 3.48Å; L446-L475 HydrophobicContact CD1-CB 3.71Å; L446-Q477 HydrophobicContact CD1-CB 4.02Å; L446-L497 HydrophobicContact CD2-CD2 4.15Å; L446-V535 HydrophobicContact CB-CG1 3.63Å; L446-V535 HydrophobicContact CB-CG2 4.15Å; L446-A537 PolarHBondContact N-O 2.89Å; L446-V538 HydrophobicContact CD2-CG1 4.44Å; L446-V538 CarbonylContact O-C 3.56Å; L446-V538 VanDerWaalsContact O-CA 3.27Å; L446-V538 WeakPolarHBondContact O-CA 3.22Å; L446-Y539 PolarHBondContact O-N 3.16Å
447	V	97.5	Very high	92.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	115.5	173.5	178.6	0	0	0	0	109	I449 A459 F462 V474 L475 Q476 Q477 Y539	V447-I449 HydrophobicContact CG1-CG2 3.61Å; V447-A459 HydrophobicContact CG1-CB 4.07Å; V447-F462 HydrophobicContact CG2-CB 4.28Å; V447-F462 HydrophobicContact CG2-CD1 3.62Å; V447-F462 HydrophobicContact CG2-CD2 4.3Å; V447-F462 HydrophobicContact CG2-CE1 4Å; V447-F462 HydrophobicContact CG2-CG 3.8Å; V447-F462 HydrophobicContact CG2-CZ 4.47Å; V447-V474 HydrophobicContact CB-CG1 4.5Å; V447-V474 HydrophobicContact CG2-CG1 3.6Å; V447-L475 PolarHBondContact N-O 2.75Å; V447-Q476 WeakPolarHBondContact O-CA 3.04Å; V447-Q477 PolarHBondContact O-N 3.14Å; V447-Y539 WeakPolarHBondContact CA-O 3.38Å; V447-Y539 HydrophobicContact CG1-CD1 4.45Å
448	L	96.9	Very high	92.9	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	108.7	-179.9	-173.9	63.6	0	0	0	109.8	Q477 F479 I495 V538 Y539 I540 V541 I550 I554	L448-Q477 WeakPolarHBondContact CA-O 3.31Å; L448-Q477 HydrophobicContact CD1-CB 3.89Å; L448-Q477 HydrophobicContact CD1-CG 3.97Å; L448-F479 HydrophobicContact CD1-CB 4.45Å; L448-F479 HydrophobicContact CD1-CD1 4.02Å; L448-F479 HydrophobicContact CG-CD1 3.83Å; L448-F479 HydrophobicContact CG-CE1 4.39Å; L448-I495 HydrophobicContact CD1-CG2 4.47Å; L448-I495 HydrophobicContact CD2-CD1 4.26Å; L448-I495 HydrophobicContact CD2-CG2 4.4Å; L448-V538 HydrophobicContact CB-CG1 4.16Å; L448-Y539 PolarHBondContact N-O 3.27Å; L448-I540 HydrophobicContact CB-CG1 4.32Å; L448-I540 HydrophobicContact CD2-CG1 4.34Å; L448-I540 HydrophobicContact CD2-CG2 4.44Å; L448-I540 WeakPolarHBondContact O-CA 3.44Å; L448-V541 PolarHBondContact O-N 3.2Å; L448-I550 HydrophobicContact CD2-CG2 3.43Å; L448-I550 VanDerWaalsContact CD2-CG2 3.43Å; L448-I554 HydrophobicContact CD2-CD1 4.31Å
449	I	96.9	Very high	93	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	154.2	-167.8	44.8	154	0	0	0	112.3	V447 G455 V458 A459 Q477 K478 F479 V541	V447-I449 HydrophobicContact CG1-CG2 3.61Å; I449-G455 VanDerWaalsContact CD1-C 3.48Å; I449-G455 WeakPolarHBondContact CD1-O 3.49Å; I449-V458 HydrophobicContact CG2-CG1 4.28Å; I449-A459 HydrophobicContact CD1-CB 3.77Å; I449-Q477 PolarHBondContact N-O 3.27Å; I449-K478 HydrophobicContact CD1-CD 4.49Å; I449-K478 HydrophobicContact CD1-CG 4.02Å; I449-K478 HydrophobicContact CG1-CG 4.15Å; I449-K478 CarbonylContact O-C 3.48Å; I449-K478 WeakPolarHBondContact O-CA 3.45Å; I449-F479 WeakPolarHBondContact O-CD1 3.36Å; I449-F479 PolarHBondContact O-N 2.75Å; I449-V541 HydrophobicContact CG2-CB 4.33Å
450	P	95.1	Very high	93.1	Very high	12 Å²	12	39.3 Å²	39.3	8%	0.078	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	147.7	176	28.4	-34	0	0	0	109.9	S452 F479 V541	P450-S452 PolarHBondContact O-N 3.34Å; P450-S452 PolarHBondContact O-OG 2.8Å; P450-F479 HydrophobicContact CB-CE1 4.42Å; P450-F479 HydrophobicContact CB-CE2 3.98Å; P450-F479 HydrophobicContact CB-CZ 3.83Å; P450-F479 HydrophobicContact CG-CZ 4.36Å; P450-F479 VanDerWaalsContact N-CE1 3.33Å; P450-V541 VanDerWaalsContact CD-O 3.3Å; P450-V541 WeakPolarHBondContact CD-O 3.45Å
451	R	92.9	Very high	93.2	Very high	154 Å²	154	35.9 Å²	35.9	58%	0.581	19%	0.192	S	C	*	.	S	Bend	trans	-65.6	78.9	170.4	-74.4	-171.7	-61.4	174.5	0.6	111.3	K478 F479 E484	R451-K478 HydrophobicContact CG-CB 3.46Å; R451-K478 VanDerWaalsContact CG-CB 3.46Å; R451-K478 HydrophobicContact CG-CD 4.19Å; R451-K478 HydrophobicContact CG-CG 4.46Å; R451-F479 WeakPolarHBondContact CG-O 3.37Å; R451-F479 PolarHBondContact N-O 2.85Å; R451-E484 IonicContact CZ-OE1 2.85Å; R451-E484 IonicContact NH2-OE1 3.1Å; R451-E484 PolarHBondContact NH2-OE1 2.87Å; R451-E484 IonicContact NH2-OE2 2.93Å; R451-E484 PolarHBondContact NH2-OE2 2.71Å
452	S	88.3	Confident	93.5	Very high	45 Å²	45	33.6 Å²	33.6	32%	0.315	17%	0.169	S	C	.	.	S	Bend	trans	-157.2	163.2	-177.5	67.6	0	0	0	0	111.4	P450 L454 G455 D456	P450-S452 PolarHBondContact O-N 3.34Å; P450-S452 PolarHBondContact O-OG 2.8Å; S452-L454 PolarHBondContact O-N 3.39Å; S452-G455 PolarHBondContact O-N 3.45Å; S452-G455 VanDerWaalsContact O-N 3.1Å; S452-G455 PolarHBondContact OG-N 3.06Å; S452-D456 PolarHBondContact O-N 2.98Å; S452-D456 VanDerWaalsContact O-N 3.16Å
453	S	88.2	Confident	93.7	Very high	83 Å²	83	32.2 Å²	32.2	58%	0.58	16%	0.164	S	C	*	.	H	α-helix	trans	-61.4	-32.1	174.4	59.2	0	0	0	0	113	D456 R457	S453-D456 PolarHBondContact O-N 3.31Å; S453-R457 WeakPolarHBondContact O-CG 3.2Å; S453-R457 PolarHBondContact O-N 3.38Å; S453-R457 VanDerWaalsContact O-N 3.11Å
454	L	88.1	Confident	93.8	Very high	33 Å²	33	31.4 Å²	31.4	17%	0.173	16%	0.16	C	C	.	.	H	α-helix	trans	-61.3	-47.7	172.3	171.9	64.6	0	0	0	111.2	P426 S452 D456 R457 V458	P426-L454 HydrophobicContact CB-CD1 4.35Å; P426-L454 HydrophobicContact CG-CD1 3.56Å; S452-L454 PolarHBondContact O-N 3.39Å; L454-D456 VanDerWaalsContact C-N 3.28Å; L454-D456 PolarHBondContact O-N 2.8Å; L454-R457 PolarHBondContact O-N 3.18Å; L454-V458 HydrophobicContact CD1-CG2 4.09Å; L454-V458 WeakPolarHBondContact O-CG2 3.49Å; L454-V458 PolarHBondContact O-N 3.18Å
455	G	92	Very high	94	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-55.4	-45.6	176.8	0	0	0	0	0	111.5	I449 S452 R457 V458 A459	I449-G455 VanDerWaalsContact CD1-C 3.48Å; I449-G455 WeakPolarHBondContact CD1-O 3.49Å; S452-G455 PolarHBondContact O-N 3.45Å; S452-G455 VanDerWaalsContact O-N 3.1Å; S452-G455 PolarHBondContact OG-N 3.06Å; G455-R457 PolarHBondContact O-N 2.89Å; G455-V458 PolarHBondContact O-N 3.34Å; G455-A459 WeakPolarHBondContact O-CB 3.5Å; G455-A459 PolarHBondContact O-N 3.46Å
456	D	92.3	Very high	93.9	Very high	56 Å²	56	31.2 Å²	31.2	30%	0.299	16%	0.157	S	C	.	.	H	α-helix	trans	-61.5	-43.2	178.6	-70.9	-35.9	0	0	0	113.2	S452 S453 L454 N460 K478	S452-D456 PolarHBondContact O-N 2.98Å; S452-D456 VanDerWaalsContact O-N 3.16Å; S453-D456 PolarHBondContact O-N 3.31Å; L454-D456 VanDerWaalsContact C-N 3.28Å; L454-D456 PolarHBondContact O-N 2.8Å; D456-N460 WeakPolarHBondContact O-CB 3.42Å; D456-N460 VanDerWaalsContact O-CG 3.23Å; D456-N460 PolarHBondContact O-N 3Å; D456-N460 PolarHBondContact O-ND2 3.49Å; D456-N460 VanDerWaalsContact O-ND2 3.11Å; D456-K478 WeakPolarHBondContact OD1-CE 3.46Å; D456-K478 IonicContact OD1-NZ 3.79Å; D456-K478 PolarHBondContact OD1-NZ 3.05Å; D456-K478 IonicContact OD2-NZ 2.89Å; D456-K478 PolarHBondContact OD2-NZ 3.28Å
457	R	90.9	Very high	93.7	Very high	96 Å²	96	37 Å²	37	36%	0.362	18%	0.184	S	C	.	.	H	α-helix	trans	-66.3	-42.3	178.1	-66.5	-167.6	-47.9	-85.7	-4.2	112.3	E427 S453 L454 G455 N460 A461	E427-R457 HydrophobicContact CG-CB 4.05Å; E427-R457 WeakPolarHBondContact OE1-CB 3.39Å; E427-R457 IonicContact OE1-CZ 3.9Å; E427-R457 IonicContact OE1-NE 3.35Å; E427-R457 PolarHBondContact OE1-NE 3.28Å; E427-R457 IonicContact OE1-NH2 3.17Å; S453-R457 WeakPolarHBondContact O-CG 3.2Å; S453-R457 PolarHBondContact O-N 3.38Å; S453-R457 VanDerWaalsContact O-N 3.11Å; L454-R457 PolarHBondContact O-N 3.18Å; G455-R457 PolarHBondContact O-N 2.89Å; R457-N460 PolarHBondContact O-N 3.29Å; R457-A461 WeakPolarHBondContact O-CB 3.39Å; R457-A461 PolarHBondContact O-N 3.34Å
458	V	94.4	Very high	93.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.6	-47.7	176.3	167	0	0	0	0	111.1	P426 A430 I449 L454 G455 N460 A461 F462 Y539 V541	P426-V458 HydrophobicContact CB-CG2 3.94Å; P426-V458 HydrophobicContact CG-CG2 4.36Å; A430-V458 HydrophobicContact CB-CG1 3.83Å; I449-V458 HydrophobicContact CG2-CG1 4.28Å; L454-V458 HydrophobicContact CD1-CG2 4.09Å; L454-V458 WeakPolarHBondContact O-CG2 3.49Å; L454-V458 PolarHBondContact O-N 3.18Å; G455-V458 PolarHBondContact O-N 3.34Å; V458-N460 PolarHBondContact O-N 2.88Å; V458-A461 PolarHBondContact O-N 3.07Å; V458-F462 PolarHBondContact O-N 2.93Å; V458-Y539 HydrophobicContact CG1-CE1 4.24Å; V458-V541 HydrophobicContact CG1-CB 4.44Å; V458-V541 HydrophobicContact CG1-CG2 3.59Å
459	A	96.3	Very high	92.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-42.3	179.1	0	0	0	0	0	112	V447 I449 G455 F462 A463 I502	V447-A459 HydrophobicContact CG1-CB 4.07Å; I449-A459 HydrophobicContact CD1-CB 3.77Å; G455-A459 WeakPolarHBondContact O-CB 3.5Å; G455-A459 PolarHBondContact O-N 3.46Å; A459-F462 PolarHBondContact O-N 3.28Å; A459-A463 WeakPolarHBondContact O-CB 3.34Å; A459-A463 PolarHBondContact O-N 3.33Å; A459-I502 HydrophobicContact CB-CD1 3.92Å
460	N	94.2	Very high	92.4	Very high	62 Å²	62	49.8 Å²	49.8	33%	0.332	25%	0.253	S	S	.	.	H	α-helix	trans	-63.8	-42.1	174.7	-72.7	-29.9	0	0	0	112.1	D456 R457 V458 A463 Q464	D456-N460 WeakPolarHBondContact O-CB 3.42Å; D456-N460 VanDerWaalsContact O-CG 3.23Å; D456-N460 PolarHBondContact O-N 3Å; D456-N460 PolarHBondContact O-ND2 3.49Å; D456-N460 VanDerWaalsContact O-ND2 3.11Å; R457-N460 PolarHBondContact O-N 3.29Å; V458-N460 PolarHBondContact O-N 2.88Å; N460-A463 PolarHBondContact O-N 2.87Å; N460-Q464 WeakPolarHBondContact O-CB 3.25Å; N460-Q464 WeakPolarHBondContact O-CG 3.2Å; N460-Q464 PolarHBondContact O-N 2.93Å
461	A	93.6	Very high	91.9	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.033	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-44.1	177.3	0	0	0	0	0	112	E427 A430 R431 R457 V458 E465	E427-A461 HydrophobicContact CB-CB 3.72Å; E427-A461 HydrophobicContact CG-CB 4.05Å; A430-A461 HydrophobicContact CB-CB 4.47Å; R431-A461 HydrophobicContact CG-CB 4.37Å; R457-A461 WeakPolarHBondContact O-CB 3.39Å; R457-A461 PolarHBondContact O-N 3.34Å; V458-A461 PolarHBondContact O-N 3.07Å; A461-E465 PolarHBondContact O-N 3.36Å; A461-E465 VanDerWaalsContact O-N 3.16Å
462	F	97.6	Very high	91.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59	-51.1	173.6	-170	-77.3	0	0	0	111.2	A430 A433 A434 I437 P445 V447 V458 A459 Q464 E465 W466 V474 Y539	A430-F462 HydrophobicContact CB-CB 4.22Å; A430-F462 VanDerWaalsContact O-CD2 3.24Å; A430-F462 WeakPolarHBondContact O-CD2 3.16Å; A433-F462 HydrophobicContact CB-CD2 4.38Å; A433-F462 HydrophobicContact CB-CE2 4.06Å; A434-F462 HydrophobicContact CB-CD1 4.24Å; A434-F462 HydrophobicContact CB-CD2 3.91Å; A434-F462 HydrophobicContact CB-CE1 4.18Å; A434-F462 HydrophobicContact CB-CE2 3.86Å; A434-F462 HydrophobicContact CB-CG 4.1Å; A434-F462 HydrophobicContact CB-CZ 3.99Å; I437-F462 HydrophobicContact CD1-CE2 3.86Å; I437-F462 HydrophobicContact CD1-CZ 3.86Å; P445-F462 HydrophobicContact CB-CE1 3.99Å; P445-F462 HydrophobicContact CB-CZ 4.14Å; P445-F462 HydrophobicContact CG-CE1 3.97Å; V447-F462 HydrophobicContact CG2-CB 4.28Å; V447-F462 HydrophobicContact CG2-CD1 3.62Å; V447-F462 HydrophobicContact CG2-CD2 4.3Å; V447-F462 HydrophobicContact CG2-CE1 4Å; V447-F462 HydrophobicContact CG2-CG 3.8Å; V447-F462 HydrophobicContact CG2-CZ 4.47Å; V458-F462 PolarHBondContact O-N 2.93Å; A459-F462 PolarHBondContact O-N 3.28Å; F462-Q464 PolarHBondContact O-N 3.38Å; F462-E465 PolarHBondContact O-N 3.1Å; F462-W466 HydrophobicContact CD1-CB 4.46Å; F462-W466 HydrophobicContact CE1-CB 4.42Å; F462-W466 HydrophobicContact CE1-CD2 4.33Å; F462-W466 HydrophobicContact CE1-CE3 4.02Å; F462-W466 HydrophobicContact CZ-CE3 4.24Å; F462-W466 WeakPolarHBondContact O-CB 3.49Å; F462-W466 PolarHBondContact O-N 3.36Å; F462-V474 HydrophobicContact CD1-CG1 3.99Å; F462-V474 HydrophobicContact CD1-CG2 4.31Å; F462-V474 HydrophobicContact CE1-CG1 4.2Å; F462-V474 HydrophobicContact CE1-CG2 4.38Å; F462-Y539 AromaticContact CD2-CD1 3.53Å; F462-Y539 HydrophobicContact CD2-CD1 3.53Å; F462-Y539 HydrophobicContact CD2-CE1 4.02Å; F462-Y539 HydrophobicContact CD2-CG 4.12Å; F462-Y539 AromaticContact CE2-CD1 3.79Å; F462-Y539 HydrophobicContact CE2-CD1 3.79Å; F462-Y539 AromaticContact CE2-CG 3.88Å; F462-Y539 HydrophobicContact CE2-CG 3.88Å; F462-Y539 HydrophobicContact CG-CD1 4.47Å
463	A	96.4	Very high	91.5	Very high	6 Å²	6	47 Å²	47	5%	0.05	27%	0.265	C	S	.	.	H	α-helix	trans	-64.2	-40.3	-177.1	0	0	0	0	0	112.9	A459 N460 W466 Q467 V474 I502 L504	A459-A463 WeakPolarHBondContact O-CB 3.34Å; A459-A463 PolarHBondContact O-N 3.33Å; N460-A463 PolarHBondContact O-N 2.87Å; A463-W466 PolarHBondContact O-N 2.67Å; A463-Q467 WeakPolarHBondContact O-CB 3.19Å; A463-Q467 PolarHBondContact O-N 3.02Å; A463-V474 HydrophobicContact CB-CB 4.28Å; A463-V474 HydrophobicContact CB-CG2 4.25Å; A463-I502 HydrophobicContact CB-CB 4.16Å; A463-I502 HydrophobicContact CB-CD1 3.91Å; A463-I502 HydrophobicContact CB-CG2 3.83Å; A463-L504 HydrophobicContact CB-CD1 4.15Å; A463-L504 HydrophobicContact CB-CD2 4.2Å; A463-L504 HydrophobicContact CB-CG 4.34Å
464	Q	93.9	Very high	91.8	Very high	90 Å²	90	43.3 Å²	43.3	42%	0.421	24%	0.239	S	C	.	.	H	α-helix	trans	-61.2	-45	175.5	-75.2	171.1	6.8	0	0	111.6	N460 F462 K468 L504	N460-Q464 WeakPolarHBondContact O-CB 3.25Å; N460-Q464 WeakPolarHBondContact O-CG 3.2Å; N460-Q464 PolarHBondContact O-N 2.93Å; F462-Q464 PolarHBondContact O-N 3.38Å; Q464-K468 WeakPolarHBondContact O-CB 3.23Å; Q464-K468 PolarHBondContact O-N 2.82Å; Q464-L504 HydrophobicContact CG-CD1 4.05Å; Q464-L504 HydrophobicContact CG-CD2 3.69Å
465	E	95.3	Very high	92.1	Very high	12 Å²	12	43.3 Å²	43.3	6%	0.056	24%	0.239	C	C	.	.	H	α-helix	trans	-67.9	-41.8	177.6	-165.9	72.1	179.5	0	0	111.3	R431 A434 R435 A461 F462 Q467 K468 L469	R431-E465 HydrophobicContact CB-CB 4.07Å; R431-E465 HydrophobicContact CB-CG 3.94Å; R431-E465 HydrophobicContact CG-CB 4Å; R431-E465 HydrophobicContact CG-CG 4.33Å; R431-E465 IonicContact NH1-OE2 2.77Å; A434-E465 HydrophobicContact CB-CB 3.96Å; A434-E465 HydrophobicContact CB-CG 4.12Å; R435-E465 HydrophobicContact CG-CG 4.2Å; R435-E465 IonicContact CZ-OE1 3.42Å; R435-E465 IonicContact NH1-OE1 2.9Å; R435-E465 PolarHBondContact NH1-OE1 2.84Å; A461-E465 PolarHBondContact O-N 3.36Å; A461-E465 VanDerWaalsContact O-N 3.16Å; F462-E465 PolarHBondContact O-N 3.1Å; E465-Q467 VanDerWaalsContact C-N 3.34Å; E465-Q467 PolarHBondContact O-N 3.1Å; E465-K468 WeakPolarHBondContact O-CB 3.33Å; E465-K468 PolarHBondContact O-N 3.21Å; E465-K468 VanDerWaalsContact O-N 3.14Å; E465-L469 HydrophobicContact CG-CD1 4.29Å; E465-L469 VanDerWaalsContact O-CG 3.28Å; E465-L469 WeakPolarHBondContact O-CG 3.31Å; E465-L469 PolarHBondContact O-N 2.93Å
466	W	94.6	Very high	92.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.9	-45.3	176.4	-166.3	-102.4	0	0	0	112.1	A434 I437 R438 K442 P445 F462 A463 L469 G470 G471 G472 V474	A434-W466 HydrophobicContact CB-CE3 4.23Å; A434-W466 WeakPolarHBondContact O-CZ3 3.5Å; I437-W466 HydrophobicContact CB-CZ3 4.08Å; I437-W466 HydrophobicContact CG2-CH2 3.89Å; I437-W466 HydrophobicContact CG2-CZ3 3.77Å; R438-W466 HydrophobicContact CB-CE3 4.37Å; R438-W466 HydrophobicContact CB-CH2 4.12Å; R438-W466 HydrophobicContact CB-CZ3 3.72Å; K442-W466 WeakPolarHBondContact O-CH2 3.33Å; P445-W466 VanDerWaalsContact CD-CZ2 3.49Å; P445-W466 HydrophobicContact CG-CD2 3.89Å; P445-W466 HydrophobicContact CG-CE3 4.29Å; P445-W466 HydrophobicContact CG-CG 4.43Å; P445-W466 HydrophobicContact CG-CH2 4.12Å; P445-W466 HydrophobicContact CG-CZ2 3.69Å; P445-W466 HydrophobicContact CG-CZ3 4.38Å; F462-W466 HydrophobicContact CD1-CB 4.46Å; F462-W466 HydrophobicContact CE1-CB 4.42Å; F462-W466 HydrophobicContact CE1-CD2 4.33Å; F462-W466 HydrophobicContact CE1-CE3 4.02Å; F462-W466 HydrophobicContact CZ-CE3 4.24Å; F462-W466 WeakPolarHBondContact O-CB 3.49Å; F462-W466 PolarHBondContact O-N 3.36Å; A463-W466 PolarHBondContact O-N 2.67Å; W466-L469 PolarHBondContact O-N 3.17Å; W466-G470 PolarHBondContact O-N 2.76Å; W466-G471 WeakPolarHBondContact O-CA 3.31Å; W466-G471 PolarHBondContact O-N 3.29Å; W466-G472 VanDerWaalsContact CD1-O 3.27Å; W466-V474 HydrophobicContact CB-CG2 3.74Å; W466-V474 HydrophobicContact CD2-CG2 4.47Å; W466-V474 HydrophobicContact CG-CG2 3.58Å
467	Q	91.6	Very high	92.4	Very high	124 Å²	124	45 Å²	45	58%	0.579	25%	0.245	S	C	*	.	H	α-helix	trans	-64.5	-40.6	175.4	-173.8	179.1	-3	0	0	111.8	A463 E465 L469 G470	A463-Q467 WeakPolarHBondContact O-CB 3.19Å; A463-Q467 PolarHBondContact O-N 3.02Å; E465-Q467 VanDerWaalsContact C-N 3.34Å; E465-Q467 PolarHBondContact O-N 3.1Å; Q467-L469 VanDerWaalsContact C-N 3.26Å; Q467-L469 PolarHBondContact O-N 3.36Å; Q467-G470 WeakPolarHBondContact O-CA 3.45Å; Q467-G470 PolarHBondContact O-N 3.31Å
468	K	90.2	Very high	92.6	Very high	165 Å²	165	44.3 Å²	44.3	72%	0.717	24%	0.244	S	C	*	.	H	α-helix	trans	-60.5	-35	175.8	-176.4	-176.1	174.1	-169.3	0	112.3	Q464 E465 G470	Q464-K468 WeakPolarHBondContact O-CB 3.23Å; Q464-K468 PolarHBondContact O-N 2.82Å; E465-K468 WeakPolarHBondContact O-CB 3.33Å; E465-K468 PolarHBondContact O-N 3.21Å; E465-K468 VanDerWaalsContact O-N 3.14Å; K468-G470 PolarHBondContact O-N 2.71Å
469	L	89.1	Confident	92.5	Very high	64 Å²	64	44.8 Å²	44.8	34%	0.335	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	3.9	174.5	-61.8	167.6	0	0	0	113.6	R435 R438 E465 W466 Q467 G471	R435-L469 HydrophobicContact CB-CD1 4.34Å; R435-L469 HydrophobicContact CG-CD1 3.83Å; R435-L469 HydrophobicContact CG-CD2 4.29Å; R438-L469 HydrophobicContact CB-CD1 4.02Å; R438-L469 HydrophobicContact CG-CB 4.24Å; R438-L469 HydrophobicContact CG-CD1 4.24Å; E465-L469 HydrophobicContact CG-CD1 4.29Å; E465-L469 VanDerWaalsContact O-CG 3.28Å; E465-L469 WeakPolarHBondContact O-CG 3.31Å; E465-L469 PolarHBondContact O-N 2.93Å; W466-L469 PolarHBondContact O-N 3.17Å; Q467-L469 VanDerWaalsContact C-N 3.26Å; Q467-L469 PolarHBondContact O-N 3.36Å; L469-G471 VanDerWaalsContact C-N 3.32Å
470	G	85.9	Confident	92.2	Very high	39 Å²	39	45.5 Å²	45.5	40%	0.402	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	18.5	-177.4	0	0	0	0	0	114.2	W466 Q467 K468	W466-G470 PolarHBondContact O-N 2.76Å; Q467-G470 WeakPolarHBondContact O-CA 3.45Å; Q467-G470 PolarHBondContact O-N 3.31Å; K468-G470 PolarHBondContact O-N 2.71Å
471	G	84.4	Confident	91.9	Very high	13 Å²	13	45.1 Å²	45.1	13%	0.134	26%	0.257	C	S	.	.			trans	-71.7	157.1	172	0	0	0	0	0	112.5	W466 L469	W466-G471 WeakPolarHBondContact O-CA 3.31Å; W466-G471 PolarHBondContact O-N 3.29Å; L469-G471 VanDerWaalsContact C-N 3.32Å
472	G	84.1	Confident	91.6	Very high	55 Å²	55	47.1 Å²	47.1	57%	0.567	27%	0.268	S	S	*	.			trans	-80.6	-151.2	178.5	0	0	0	0	0	113.6	W466 V474	W466-G472 VanDerWaalsContact CD1-O 3.27Å; G472-V474 PolarHBondContact O-N 3.33Å
473	T	88.2	Confident	91	Very high	85 Å²	85	50.5 Å²	50.5	52%	0.521	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-63.9	129.5	178.3	-55.7	0	0	0	0	111.7	L475 P501	T473-L475 HydrophobicContact CG2-CD2 4.41Å; T473-P501 HydrophobicContact CG2-CB 3.67Å; T473-P501 HydrophobicContact CG2-CG 4.16Å
474	V	94.3	Very high	90.6	Very high	5 Å²	5	54.6 Å²	54.6	3%	0.03	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-92.7	130.2	168.4	-177	0	0	0	0	108.9	P445 V447 F462 A463 W466 G472 I502	P445-V474 HydrophobicContact CG-CG1 4.29Å; P445-V474 HydrophobicContact CG-CG2 4.08Å; V447-V474 HydrophobicContact CB-CG1 4.5Å; V447-V474 HydrophobicContact CG2-CG1 3.6Å; F462-V474 HydrophobicContact CD1-CG1 3.99Å; F462-V474 HydrophobicContact CD1-CG2 4.31Å; F462-V474 HydrophobicContact CE1-CG1 4.2Å; F462-V474 HydrophobicContact CE1-CG2 4.38Å; A463-V474 HydrophobicContact CB-CB 4.28Å; A463-V474 HydrophobicContact CB-CG2 4.25Å; W466-V474 HydrophobicContact CB-CG2 3.74Å; W466-V474 HydrophobicContact CD2-CG2 4.47Å; W466-V474 HydrophobicContact CG-CG2 3.58Å; G472-V474 PolarHBondContact O-N 3.33Å; V474-I502 HydrophobicContact CB-CD1 4.08Å; V474-I502 HydrophobicContact CG1-CD1 3.7Å; V474-I502 PolarHBondContact O-N 3.33Å
475	L	94.9	Very high	90.4	Very high	34 Å²	34	50.7 Å²	50.7	18%	0.178	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	144.6	173	-60.2	-178.9	0	0	0	109.6	P445 L446 V447 T473 P501 V535	P445-L475 PolarHBondContact O-N 3.06Å; P445-L475 VanDerWaalsContact O-N 3.14Å; L446-L475 CarbonylContact C-O 3.51Å; L446-L475 WeakPolarHBondContact CA-O 3.48Å; L446-L475 HydrophobicContact CD1-CB 3.71Å; V447-L475 PolarHBondContact N-O 2.75Å; T473-L475 HydrophobicContact CG2-CD2 4.41Å; L475-P501 HydrophobicContact CD2-CG 4.27Å; L475-V535 HydrophobicContact CD1-CG2 4.01Å
476	Q	95.8	Very high	90	Very high	42 Å²	42	56.1 Å²	56.1	20%	0.196	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	144	169.5	60.1	172.1	13.6	0	0	111.3	V447 G499 S500 I502	V447-Q476 WeakPolarHBondContact O-CA 3.04Å; Q476-G499 CarbonylContact O-C 3.59Å; Q476-G499 WeakPolarHBondContact O-CA 3.44Å; Q476-S500 VanDerWaalsContact CG-O 3.27Å; Q476-S500 WeakPolarHBondContact CG-O 3.43Å; Q476-S500 PolarHBondContact N-O 3.16Å; Q476-S500 PolarHBondContact O-N 2.8Å; Q476-I502 HydrophobicContact CB-CD1 4Å; Q476-I502 HydrophobicContact CB-CG1 3.69Å; Q476-I502 HydrophobicContact CG-CG1 3.69Å
477	Q	94.4	Very high	89.4	Confident	48 Å²	48	59.1 Å²	59.1	22%	0.224	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	137.2	166.4	-174.3	179.5	15.5	0	0	108.2	L446 V447 L448 I449 A496 T498	L446-Q477 HydrophobicContact CD1-CB 4.02Å; V447-Q477 PolarHBondContact O-N 3.14Å; L448-Q477 WeakPolarHBondContact CA-O 3.31Å; L448-Q477 HydrophobicContact CD1-CB 3.89Å; L448-Q477 HydrophobicContact CD1-CG 3.97Å; I449-Q477 PolarHBondContact N-O 3.27Å; Q477-A496 PolarHBondContact OE1-O 3.22Å; Q477-A496 VanDerWaalsContact OE1-O 3.07Å; Q477-T498 PolarHBondContact OE1-O 2.84Å
478	K	95	Very high	88.7	Confident	82 Å²	82	53.8 Å²	53.8	36%	0.357	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	132	179.6	-54.8	-172.5	175.9	-176.4	0	110.5	I449 R451 D456	I449-K478 HydrophobicContact CD1-CD 4.49Å; I449-K478 HydrophobicContact CD1-CG 4.02Å; I449-K478 HydrophobicContact CG1-CG 4.15Å; I449-K478 CarbonylContact O-C 3.48Å; I449-K478 WeakPolarHBondContact O-CA 3.45Å; R451-K478 HydrophobicContact CG-CB 3.46Å; R451-K478 VanDerWaalsContact CG-CB 3.46Å; R451-K478 HydrophobicContact CG-CD 4.19Å; R451-K478 HydrophobicContact CG-CG 4.46Å; D456-K478 WeakPolarHBondContact OD1-CE 3.46Å; D456-K478 IonicContact OD1-NZ 3.79Å; D456-K478 PolarHBondContact OD1-NZ 3.05Å; D456-K478 IonicContact OD2-NZ 2.89Å; D456-K478 PolarHBondContact OD2-NZ 3.28Å
479	F	93.2	Very high	88.1	Confident	10 Å²	10	48 Å²	48	4%	0.044	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	158.2	175.8	66.6	-94.4	0	0	0	112.4	L448 I449 P450 R451 L485 V541 A542 E546 I550	L448-F479 HydrophobicContact CD1-CB 4.45Å; L448-F479 HydrophobicContact CD1-CD1 4.02Å; L448-F479 HydrophobicContact CG-CD1 3.83Å; L448-F479 HydrophobicContact CG-CE1 4.39Å; I449-F479 WeakPolarHBondContact O-CD1 3.36Å; I449-F479 PolarHBondContact O-N 2.75Å; P450-F479 HydrophobicContact CB-CE1 4.42Å; P450-F479 HydrophobicContact CB-CE2 3.98Å; P450-F479 HydrophobicContact CB-CZ 3.83Å; P450-F479 HydrophobicContact CG-CZ 4.36Å; P450-F479 VanDerWaalsContact N-CE1 3.33Å; R451-F479 WeakPolarHBondContact CG-O 3.37Å; R451-F479 PolarHBondContact N-O 2.85Å; F479-L485 HydrophobicContact CB-CD2 4.23Å; F479-L485 HydrophobicContact CD2-CD1 3.96Å; F479-L485 HydrophobicContact CD2-CD2 4.49Å; F479-L485 HydrophobicContact CD2-CG 4.5Å; F479-L485 HydrophobicContact CE2-CD1 4.39Å; F479-V541 WeakPolarHBondContact CE1-O 3.5Å; F479-V541 VanDerWaalsContact CZ-O 3.3Å; F479-V541 WeakPolarHBondContact CZ-O 3.24Å; F479-A542 HydrophobicContact CE1-CB 4.49Å; F479-A542 HydrophobicContact CZ-CB 3.97Å; F479-E546 HydrophobicContact CE2-CB 4.26Å; F479-E546 HydrophobicContact CE2-CG 4.18Å; F479-I550 HydrophobicContact CD1-CD1 4.02Å; F479-I550 HydrophobicContact CD2-CD1 4.18Å; F479-I550 HydrophobicContact CE1-CD1 3.86Å; F479-I550 HydrophobicContact CE2-CD1 4.1Å; F479-I550 HydrophobicContact CG-CD1 4.18Å; F479-I550 HydrophobicContact CZ-CD1 3.92Å
480	G	89.7	Confident	87.6	Confident	16 Å²	16	51.3 Å²	51.3	17%	0.165	31%	0.311	C	S	.	.			trans	-78.8	-168	-178.1	0	0	0	0	0	114.6	E484	G480-E484 WeakPolarHBondContact CA-OE2 3.4Å
481	S	87.3	Confident	87	Confident	54 Å²	54	52.3 Å²	52.3	38%	0.378	32%	0.321	S	S	.	.			trans	-67.8	165.9	169.7	61.1	0	0	0	0	111.8	S483 E484 L485	S481-S483 PolarHBondContact O-N 2.77Å; S481-S483 VanDerWaalsContact O-N 3.16Å; S481-S483 PolarHBondContact OG-OG 3.33Å; S481-E484 PolarHBondContact N-OE2 2.94Å; S481-E484 WeakPolarHBondContact O-CB 3.32Å; S481-E484 PolarHBondContact O-N 3.46Å; S481-E484 PolarHBondContact OG-OE2 3.19Å; S481-L485 PolarHBondContact O-N 2.93Å
482	T	87.6	Confident	86.5	Confident	45 Å²	45	54.2 Å²	54.2	28%	0.276	34%	0.341	S	S	.	.	H	α-helix	trans	-55.8	-32.1	176.3	-42.6	0	0	0	0	113.2	R486 F549	T482-R486 WeakPolarHBondContact O-CB 3.34Å; T482-R486 PolarHBondContact O-N 2.78Å; T482-F549 HydrophobicContact CG2-CD2 3.95Å; T482-F549 HydrophobicContact CG2-CE2 3.55Å
483	S	85.2	Confident	85.9	Confident	71 Å²	71	55.2 Å²	55.2	50%	0.497	34%	0.34	S	S	.	.	H	α-helix	trans	-69	-37.8	176	50.8	0	0	0	0	112.5	S481 R486 A487	S481-S483 PolarHBondContact O-N 2.77Å; S481-S483 VanDerWaalsContact O-N 3.16Å; S481-S483 PolarHBondContact OG-OG 3.33Å; S483-R486 PolarHBondContact O-N 3.44Å; S483-A487 WeakPolarHBondContact O-CB 3.46Å; S483-A487 PolarHBondContact O-N 3.21Å
484	E	86.9	Confident	85.6	Confident	93 Å²	93	52.2 Å²	52.2	44%	0.435	33%	0.325	S	S	.	.	H	α-helix	trans	-67.9	-41.6	174.9	-68.5	173.6	126.4	0	0	111.1	R451 G480 S481 R486 A487 G488	R451-E484 IonicContact CZ-OE1 2.85Å; R451-E484 IonicContact NH2-OE1 3.1Å; R451-E484 PolarHBondContact NH2-OE1 2.87Å; R451-E484 IonicContact NH2-OE2 2.93Å; R451-E484 PolarHBondContact NH2-OE2 2.71Å; G480-E484 WeakPolarHBondContact CA-OE2 3.4Å; S481-E484 PolarHBondContact N-OE2 2.94Å; S481-E484 WeakPolarHBondContact O-CB 3.32Å; S481-E484 PolarHBondContact O-N 3.46Å; S481-E484 PolarHBondContact OG-OE2 3.19Å; E484-R486 PolarHBondContact O-N 3.32Å; E484-A487 PolarHBondContact O-N 2.83Å; E484-G488 PolarHBondContact O-N 2.88Å
485	L	89.9	Confident	85.3	Confident	8 Å²	8	52.5 Å²	52.5	4%	0.042	33%	0.327	C	S	.	.	H	α-helix	trans	-60.4	-44.9	174.2	-70.6	172.6	0	0	0	111.6	F479 S481 A487 G488 V489 I495 E546 F549 I550 M553	F479-L485 HydrophobicContact CB-CD2 4.23Å; F479-L485 HydrophobicContact CD2-CD1 3.96Å; F479-L485 HydrophobicContact CD2-CD2 4.49Å; F479-L485 HydrophobicContact CD2-CG 4.5Å; F479-L485 HydrophobicContact CE2-CD1 4.39Å; S481-L485 PolarHBondContact O-N 2.93Å; L485-A487 PolarHBondContact O-N 2.98Å; L485-G488 PolarHBondContact O-N 2.9Å; L485-V489 PolarHBondContact O-N 2.69Å; L485-I495 HydrophobicContact CD2-CD1 4.4Å; L485-E546 HydrophobicContact CD1-CB 3.89Å; L485-E546 HydrophobicContact CD1-CG 4.02Å; L485-F549 HydrophobicContact CB-CB 3.79Å; L485-F549 HydrophobicContact CB-CD2 4.34Å; L485-F549 HydrophobicContact CB-CG 4.2Å; L485-F549 HydrophobicContact CD1-CB 4.48Å; L485-I550 HydrophobicContact CD1-CD1 4.32Å; L485-I550 HydrophobicContact CD1-CG1 4.02Å; L485-I550 HydrophobicContact CD2-CG1 4.01Å; L485-M553 HydrophobicContact CB-SD 4.32Å; L485-M553 HydrophobicContact CD2-CE 4.39Å; L485-M553 HydrophobicContact CD2-SD 3.74Å
486	R	86.7	Confident	84.9	Confident	126 Å²	126	52 Å²	52	48%	0.475	33%	0.327	S	S	.	.	H	α-helix	trans	-60.7	-44.2	176	-173.4	-174	-60.4	135.5	1.4	112.2	T482 S483 E484 G488 V489 N490 F549	T482-R486 WeakPolarHBondContact O-CB 3.34Å; T482-R486 PolarHBondContact O-N 2.78Å; S483-R486 PolarHBondContact O-N 3.44Å; E484-R486 PolarHBondContact O-N 3.32Å; R486-G488 VanDerWaalsContact C-N 3.29Å; R486-G488 PolarHBondContact O-N 3.28Å; R486-V489 PolarHBondContact O-N 3.25Å; R486-N490 PolarHBondContact O-N 2.86Å; R486-N490 VanDerWaalsContact O-N 3.15Å; R486-F549 HydrophobicContact CB-CE1 4.2Å; R486-F549 HydrophobicContact CB-CZ 4.35Å; R486-F549 HydrophobicContact CG-CE1 4.21Å; R486-F549 HydrophobicContact CG-CZ 4.48Å
487	A	83.2	Confident	84.6	Confident	62 Å²	62	51 Å²	51	51%	0.512	32%	0.323	S	S	.	.	H	α-helix	trans	-62.7	-37.5	176.1	0	0	0	0	0	111.7	S483 E484 L485 N490 G491	S483-A487 WeakPolarHBondContact O-CB 3.46Å; S483-A487 PolarHBondContact O-N 3.21Å; E484-A487 PolarHBondContact O-N 2.83Å; L485-A487 PolarHBondContact O-N 2.98Å; A487-N490 PolarHBondContact O-N 2.79Å; A487-G491 PolarHBondContact O-N 2.7Å
488	G	77.3	Confident	84.2	Confident	12 Å²	12	53.1 Å²	53.1	12%	0.124	34%	0.339	C	S	.	.	H	α-helix	trans	-62.5	-44.7	176.1	0	0	0	0	0	113.3	E484 L485 R486 G491 G492 S493	E484-G488 PolarHBondContact O-N 2.88Å; L485-G488 PolarHBondContact O-N 2.9Å; R486-G488 VanDerWaalsContact C-N 3.29Å; R486-G488 PolarHBondContact O-N 3.28Å; G488-G491 PolarHBondContact O-N 2.58Å; G488-G492 PolarHBondContact O-N 2.79Å; G488-S493 CarbonylContact C-O 3.58Å; G488-S493 PolarHBondContact O-N 2.98Å
489	V	76.6	Confident	83.9	Confident	43 Å²	43	50.6 Å²	50.6	26%	0.261	34%	0.337	S	S	.	.	H	α-helix	trans	-59.6	-47.9	174.1	175.1	0	0	0	0	111.1	L485 R486 G491 G492 F549 M553 M556	L485-V489 PolarHBondContact O-N 2.69Å; R486-V489 PolarHBondContact O-N 3.25Å; V489-G491 VanDerWaalsContact C-N 3.3Å; V489-G491 PolarHBondContact O-N 3.05Å; V489-G492 PolarHBondContact O-N 3.32Å; V489-F549 HydrophobicContact CG2-CB 4.3Å; V489-F549 HydrophobicContact CG2-CD1 4.11Å; V489-M553 HydrophobicContact CG2-CG 3.36Å; V489-M553 HydrophobicContact CG2-SD 3.89Å; V489-M556 HydrophobicContact CG1-SD 4.43Å
490	N	78.9	Confident	83.8	Confident	134 Å²	134	53.7 Å²	53.7	72%	0.717	36%	0.36	S	S	*	.	H	α-helix	trans	-66.8	-30.7	-179.3	-68.5	-11	0	0	0	113.2	R486 A487	R486-N490 PolarHBondContact O-N 2.86Å; R486-N490 VanDerWaalsContact O-N 3.15Å; A487-N490 PolarHBondContact O-N 2.79Å
491	G	73.5	Confident	83.8	Confident	60 Å²	60	55.8 Å²	55.8	62%	0.619	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-2.4	179.4	0	0	0	0	0	114.8	A487 G488 V489 S493	A487-G491 PolarHBondContact O-N 2.7Å; G488-G491 PolarHBondContact O-N 2.58Å; V489-G491 VanDerWaalsContact C-N 3.3Å; V489-G491 PolarHBondContact O-N 3.05Å; G491-S493 PolarHBondContact O-N 2.78Å
492	G	73.4	Confident	84	Confident	53 Å²	53	54.1 Å²	54.1	55%	0.546	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	7.1	-174.4	0	0	0	0	0	114.4	G488 V489 G494	G488-G492 PolarHBondContact O-N 2.79Å; V489-G492 PolarHBondContact O-N 3.32Å; G492-G494 PolarHBondContact O-N 3.15Å
493	S	71.6	Confident	83.6	Confident	77 Å²	77	57.9 Å²	57.9	54%	0.538	38%	0.38	S	S	.	.			trans	-82.2	91.8	178.5	-62.2	0	0	0	0	109.5	G488 G491 M553	G488-S493 CarbonylContact C-O 3.58Å; G488-S493 PolarHBondContact O-N 2.98Å; G491-S493 PolarHBondContact O-N 2.78Å; S493-M553 WeakPolarHBondContact O-CE 3.45Å
494	G	81.9	Confident	83.1	Confident	21 Å²	21	57 Å²	57	22%	0.216	37%	0.37	C	S	.	.			trans	-78.1	174.9	175.1	0	0	0	0	0	114	G492 M553	G492-G494 PolarHBondContact O-N 3.15Å; G494-M553 CarbonylContact C-O 3.59Å; G494-M553 WeakPolarHBondContact CA-O 3.23Å
495	I	87.4	Confident	81.6	Confident	12 Å²	12	64.2 Å²	64.2	6%	0.062	39%	0.393	C	S	.	.			trans	-95.5	110.6	178.6	-64.9	174.1	0	0	0	108.4	L448 L485 I550 M553 I554 N558	L448-I495 HydrophobicContact CD1-CG2 4.47Å; L448-I495 HydrophobicContact CD2-CD1 4.26Å; L448-I495 HydrophobicContact CD2-CG2 4.4Å; L485-I495 HydrophobicContact CD2-CD1 4.4Å; I495-I550 HydrophobicContact CD1-CB 4.29Å; I495-I550 HydrophobicContact CD1-CG1 4.13Å; I495-I550 HydrophobicContact CD1-CG2 4.09Å; I495-M553 HydrophobicContact CB-CB 4.29Å; I495-M553 HydrophobicContact CD1-CB 3.96Å; I495-M553 HydrophobicContact CD1-CE 4.42Å; I495-M553 HydrophobicContact CD1-SD 4.17Å; I495-M553 HydrophobicContact CG1-CB 3.74Å; I495-M553 HydrophobicContact CG1-CE 3.95Å; I495-M553 HydrophobicContact CG1-SD 4.27Å; I495-M553 PolarHBondContact N-O 2.83Å; I495-I554 HydrophobicContact CB-CG1 3.96Å; I495-I554 HydrophobicContact CG2-CG1 4.07Å; I495-N558 PolarHBondContact O-ND2 3.27Å
496	A	87.9	Confident	79.2	Confident	23 Å²	23	68 Å²	68	19%	0.19	43%	0.425	C	S	.	.			trans	-70.1	143.8	173.8	0	0	0	0	0	110.4	Q477 T498 R557	Q477-A496 PolarHBondContact OE1-O 3.22Å; Q477-A496 VanDerWaalsContact OE1-O 3.07Å; A496-T498 PolarHBondContact O-N 3.38Å; A496-R557 HydrophobicContact CB-CG 3.97Å
497	L	89.4	Confident	76.6	Confident	22 Å²	22	68.8 Å²	68.8	12%	0.115	44%	0.444	C	S	.	.	S	Bend	trans	-78.7	57.5	173.8	-62.7	-177.2	0	0	0	111.5	L446 V535 V538 I554 N558 A564	L446-L497 HydrophobicContact CD2-CD2 4.15Å; L497-V535 HydrophobicContact CB-CB 4.15Å; L497-V535 HydrophobicContact CB-CG1 4.33Å; L497-V535 VanDerWaalsContact O-CG2 3.26Å; L497-V535 WeakPolarHBondContact O-CG2 3.47Å; L497-V538 HydrophobicContact CD2-CG2 3.59Å; L497-I554 HydrophobicContact CD2-CG2 3.94Å; L497-I554 HydrophobicContact CG-CG2 4.47Å; L497-N558 HydrophobicContact CD1-CB 4.42Å; L497-N558 HydrophobicContact CG-CB 4.48Å; L497-N558 PolarHBondContact N-OD1 3.34Å; L497-A564 HydrophobicContact CD1-CB 3.67Å
498	T	86.5	Confident	74.1	Confident	91 Å²	91	71.8 Å²	71.8	56%	0.558	46%	0.457	S	S	*	.			trans	-134.9	159.2	177.9	60.3	0	0	0	0	109.5	Q477 A496	Q477-T498 PolarHBondContact OE1-O 2.84Å; A496-T498 PolarHBondContact O-N 3.38Å
499	G	88	Confident	71.8	Confident	29 Å²	29	77.1 Å²	77.1	30%	0.299	48%	0.482	S	S	.	.			trans	-168.8	178.3	-177.9	0	0	0	0	0	112.1	Q476	Q476-G499 CarbonylContact O-C 3.59Å; Q476-G499 WeakPolarHBondContact O-CA 3.44Å
500	S	91	Very high	69.5	Low	76 Å²	76	80.7 Å²	80.7	53%	0.531	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	143.6	174.4	-53.7	0	0	0	0	110.2	Q476 I502	Q476-S500 VanDerWaalsContact CG-O 3.27Å; Q476-S500 WeakPolarHBondContact CG-O 3.43Å; Q476-S500 PolarHBondContact N-O 3.16Å; Q476-S500 PolarHBondContact O-N 2.8Å; S500-I502 PolarHBondContact O-N 3.38Å
501	P	90.3	Very high	66.9	Low	59 Å²	59	78 Å²	78	38%	0.383	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	137.6	172.1	-27	36.3	0	0	0	112.4	T473 L475 T503	T473-P501 HydrophobicContact CG2-CB 3.67Å; T473-P501 HydrophobicContact CG2-CG 4.16Å; L475-P501 HydrophobicContact CD2-CG 4.27Å; P501-T503 PolarHBondContact O-N 2.95Å
502	I	90.5	Very high	65	Low	19 Å²	19	84.1 Å²	84.1	10%	0.097	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-77.3	116.2	168.6	-59.4	172.6	0	0	0	108.3	A459 A463 V474 Q476 S500 L504	A459-I502 HydrophobicContact CB-CD1 3.92Å; A463-I502 HydrophobicContact CB-CB 4.16Å; A463-I502 HydrophobicContact CB-CD1 3.91Å; A463-I502 HydrophobicContact CB-CG2 3.83Å; V474-I502 HydrophobicContact CB-CD1 4.08Å; V474-I502 HydrophobicContact CG1-CD1 3.7Å; V474-I502 PolarHBondContact O-N 3.33Å; Q476-I502 HydrophobicContact CB-CD1 4Å; Q476-I502 HydrophobicContact CB-CG1 3.69Å; Q476-I502 HydrophobicContact CG-CG1 3.69Å; S500-I502 PolarHBondContact O-N 3.38Å; I502-L504 HydrophobicContact CG2-CD2 4.37Å
503	T	80.2	Confident	62.7	Low	124 Å²	124	88.1 Å²	88.1	76%	0.761	54%	0.541	S	S	*	.			trans	-92.9	101.6	174.7	47.3	0	0	0	0	110.4	P501 R505	P501-T503 PolarHBondContact O-N 2.95Å; T503-R505 PolarHBondContact O-N 3.12Å
504	L	75.2	Confident	60.8	Low	54 Å²	54	91 Å²	91	28%	0.283	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-72.4	116	171.5	-65	171.1	0	0	0	108.6	A463 Q464 I502 A506	A463-L504 HydrophobicContact CB-CD1 4.15Å; A463-L504 HydrophobicContact CB-CD2 4.2Å; A463-L504 HydrophobicContact CB-CG 4.34Å; Q464-L504 HydrophobicContact CG-CD1 4.05Å; Q464-L504 HydrophobicContact CG-CD2 3.69Å; I502-L504 HydrophobicContact CG2-CD2 4.37Å; L504-A506 PolarHBondContact O-N 3.49Å
505	R	53.9	Low	58.1	Low	243 Å²	243	97.8 Å²	97.8	92%	0.917	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-65.7	121.8	169.6	-81.4	180	175.1	168.5	-1.9	108.4	T503 T507	T503-R505 PolarHBondContact O-N 3.12Å; R505-T507 PolarHBondContact O-N 3.26Å
506	A	41	Very low	55.3	Low	87 Å²	87	104.2 Å²	104.2	72%	0.719	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-59.9	121.7	166	0	0	0	0	0	108.2	L504 T508	L504-A506 PolarHBondContact O-N 3.49Å; A506-T508 VanDerWaalsContact C-N 3.34Å; A506-T508 PolarHBondContact O-N 3.23Å
507	T	31.2	Very low	52.6	Low	143 Å²	143	108.5 Å²	108.5	88%	0.877	65%	0.648	S	S	*	*			trans	-71.6	91.2	171.1	47.8	0	0	0	0	108.4	R505	R505-T507 PolarHBondContact O-N 3.26Å
508	T	30.9	Very low	49.6	Very low	126 Å²	126	112.8 Å²	112.8	77%	0.773	68%	0.675	S	S	*	*			trans	-90.8	122.4	159.2	43.4	0	0	0	0	108.7	A506	A506-T508 VanDerWaalsContact C-N 3.34Å; A506-T508 PolarHBondContact O-N 3.23Å
509	D	27.7	Very low	46.9	Very low	124 Å²	124	116.1 Å²	116.1	66%	0.663	69%	0.689	S	S	*	*			trans	-49.7	144.6	167.1	-110	-19.1	0	0	0	110.2	K168	K168-D509 IonicContact NZ-OD2 3.77Å; K168-D509 PolarHBondContact NZ-OD2 3.37Å
510	S	29.2	Very low	43.8	Very low	117 Å²	117	124.3 Å²	124.3	82%	0.818	72%	0.719	S	S	*	*			trans	99.4	115.9	164.8	-44.2	0	0	0	0	117.3
511	G	25	Very low	40.7	Very low	77 Å²	77	126.2 Å²	126.2	79%	0.794	73%	0.727	S	S	*	*			trans	-72.6	142.7	177.8	0	0	0	0	0	113.9
512	M	32.7	Very low	37.6	Very low	189 Å²	189	129.6 Å²	129.6	93%	0.931	75%	0.748	S	S	*	*			trans	-146.3	119.2	135.8	-95.7	-169.4	-170.4	0	0	107.6
513	T	26	Very low	34.6	Very low	137 Å²	137	132.9 Å²	132.9	84%	0.84	77%	0.77	S	S	*	*			trans	-73.1	118.9	171.1	49.9	0	0	0	0	109.4
514	T	30.6	Very low	32.1	Very low	139 Å²	139	131.7 Å²	131.7	85%	0.853	76%	0.763	S	S	*	*			trans	-149.6	117.6	151.1	30.1	0	0	0	0	110.6
515	N	26.6	Very low	30.1	Very low	162 Å²	162	137.3 Å²	137.3	87%	0.866	79%	0.793	S	S	*	*			trans	-59.7	132.6	174.2	-62.6	-47	0	0	0	111
516	N	28.6	Very low	29	Very low	147 Å²	147	132.4 Å²	132.4	79%	0.786	79%	0.785	S	S	*	*			trans	-146.1	112	146.8	-147.7	7.2	0	0	0	111
517	P	29.7	Very low	28.5	Very low	114 Å²	114	135.3 Å²	135.3	74%	0.74	78%	0.784	S	S	*	*			trans	-97.6	84.2	-179.5	35.4	-27.3	0	0	0	110.1
518	T	27.7	Very low	28.6	Very low	112 Å²	112	136.2 Å²	136.2	69%	0.687	78%	0.776	S	S	*	*			trans	-162.6	114.9	166	28.7	0	0	0	0	111.3
519	L	28.4	Very low	28.5	Very low	161 Å²	161	135.2 Å²	135.2	84%	0.843	77%	0.77	S	S	*	*			trans	143.7	69.3	151.2	-76	162.1	0	0	0	109.5	T521	L519-T521 PolarHBondContact O-N 2.8Å
520	Q	23.5	Very low	28.6	Very low	201 Å²	201	136.5 Å²	136.5	94%	0.939	78%	0.776	S	S	*	*			trans	-76.6	101.3	153.9	-78	176.3	-23.9	0	0	107
521	T	26.7	Very low	29	Very low	115 Å²	115	139.1 Å²	139.1	71%	0.706	78%	0.781	S	S	*	*			trans	-102.3	112.7	157.5	50.9	0	0	0	0	107.3	L519 P523	L519-T521 PolarHBondContact O-N 2.8Å; T521-P523 WeakPolarHBondContact O-CD 3.4Å
522	T	23.6	Very low	29.9	Very low	131 Å²	131	138.2 Å²	138.2	80%	0.804	77%	0.772	S	S	*	*			trans	-52.1	119.6	172.1	-30.1	0	0	0	0	109.6	T524	T522-T524 PolarHBondContact O-N 2.79Å
523	P	28.4	Very low	30.9	Very low	87 Å²	87	131.7 Å²	131.7	57%	0.565	75%	0.753	S	S	*	*			trans	-77.6	115.8	168.9	-3.1	20.6	0	0	0	107.7	T521 F528	T521-P523 WeakPolarHBondContact O-CD 3.4Å; P523-F528 HydrophobicContact CB-CE2 4.13Å
524	T	28.5	Very low	33.5	Very low	100 Å²	100	134.1 Å²	134.1	61%	0.613	75%	0.747	S	S	*	*			trans	-65.4	145.5	164.7	36.5	0	0	0	0	109.9	T522 D526	T522-T524 PolarHBondContact O-N 2.79Å; T524-D526 PolarHBondContact O-N 3.13Å
525	D	32.3	Very low	36.3	Very low	171 Å²	171	127.8 Å²	127.8	91%	0.914	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	6.6	-167.7	-74.2	-42.8	0	0	0	117.4
526	D	31.7	Very low	39.4	Very low	140 Å²	140	121.8 Å²	121.8	75%	0.749	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.9	3.3	-169.5	-77.9	-33.6	0	0	0	116.1	T524	T524-D526 PolarHBondContact O-N 3.13Å
527	Q	29.6	Very low	42.6	Very low	149 Å²	149	114.8 Å²	114.8	70%	0.696	64%	0.639	S	S	*	*	S	Bend	trans	-107.8	10.3	-171.2	-73.9	-169.5	-4.8	0	0	117.6
528	F	33.5	Very low	45.8	Very low	162 Å²	162	109.3 Å²	109.3	71%	0.711	60%	0.603	S	S	*	*			trans	-123.5	23.6	178.4	-62.9	-70	0	0	0	115.1	P523	P523-F528 HydrophobicContact CB-CE2 4.13Å
529	T	28.3	Very low	49.1	Very low	105 Å²	105	104 Å²	104	64%	0.644	57%	0.571	S	S	*	*			trans	-79.4	134.7	162.4	58.4	0	0	0	0	107.9
530	N	30.2	Very low	52.4	Low	150 Å²	150	96.4 Å²	96.4	80%	0.802	53%	0.531	S	S	*	.	S	Bend	trans	111.7	18.2	165.8	-52.1	-30.7	0	0	0	120.7
531	N	38.2	Very low	55.9	Low	172 Å²	172	87 Å²	87	92%	0.92	49%	0.487	S	S	*	.	S	Bend	trans	-143.6	8.1	162.5	-107.4	-7.7	0	0	0	117
532	G	42.7	Very low	59.1	Low	58 Å²	58	81.5 Å²	81.5	60%	0.598	45%	0.453	S	S	*	.	S	Bend	trans	-123.5	125.6	171	0	0	0	0	0	109.5
533	G	55	Low	62.3	Low	53 Å²	53	77.1 Å²	77.1	55%	0.546	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-56.9	162.8	176.1	0	0	0	0	0	112.2	V535	G533-V535 PolarHBondContact O-N 3.22Å
534	R	79.2	Confident	65	Low	187 Å²	187	73.5 Å²	73.5	71%	0.706	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-50.6	127.9	174.2	-178.9	178.5	135.3	168.7	-0.4	109.5	D536 S562	R534-D536 PolarHBondContact O-N 3.03Å; R534-S562 PolarHBondContact NH2-O 2.84Å
535	V	90.2	Very high	67.8	Low	7 Å²	7	70.6 Å²	70.6	4%	0.042	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-54	121.6	178	173.1	0	0	0	0	109.6	A444 L446 L475 L497 G533 A537 V538 A564	A444-V535 WeakPolarHBondContact O-CA 3.43Å; L446-V535 HydrophobicContact CB-CG1 3.63Å; L446-V535 HydrophobicContact CB-CG2 4.15Å; L475-V535 HydrophobicContact CD1-CG2 4.01Å; L497-V535 HydrophobicContact CB-CB 4.15Å; L497-V535 HydrophobicContact CB-CG1 4.33Å; L497-V535 VanDerWaalsContact O-CG2 3.26Å; L497-V535 WeakPolarHBondContact O-CG2 3.47Å; G533-V535 PolarHBondContact O-N 3.22Å; V535-A537 WeakPolarHBondContact CG1-O 3.49Å; V535-V538 HydrophobicContact CG1-CG2 4.07Å; V535-A564 HydrophobicContact CG1-CB 4.45Å
536	D	92.1	Very high	70.7	Confident	35 Å²	35	63.5 Å²	63.5	19%	0.187	36%	0.355	C	S	.	.			trans	-114.4	-7.3	-175.9	65.8	-9.1	0	0	0	113.4	K442 Q443 A444 R534 A564 T565	K442-D536 WeakPolarHBondContact CA-OD2 3.38Å; K442-D536 HydrophobicContact CD-CB 4.36Å; K442-D536 PolarHBondContact NZ-O 3.07Å; K442-D536 VanDerWaalsContact NZ-O 3.15Å; Q443-D536 PolarHBondContact N-OD1 2.88Å; Q443-D536 PolarHBondContact N-OD2 3.07Å; A444-D536 VanDerWaalsContact C-OD1 3.31Å; A444-D536 WeakPolarHBondContact CA-OD1 2.94Å; A444-D536 PolarHBondContact N-OD1 3.37Å; A444-D536 PolarHBondContact O-N 3.08Å; R534-D536 PolarHBondContact O-N 3.03Å; D536-A564 WeakPolarHBondContact O-CA 3.24Å; D536-T565 PolarHBondContact O-N 2.78Å; D536-T565 VanDerWaalsContact O-N 3.08Å
537	A	95.2	Very high	73.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	141	175.6	0	0	0	0	0	111.1	I437 K442 P445 L446 V535 T565 Y567	I437-A537 HydrophobicContact CG2-CB 3.67Å; K442-A537 HydrophobicContact CB-CB 3.98Å; K442-A537 HydrophobicContact CD-CB 4.4Å; K442-A537 HydrophobicContact CG-CB 3.97Å; P445-A537 WeakPolarHBondContact CA-O 3.46Å; L446-A537 PolarHBondContact N-O 2.89Å; V535-A537 WeakPolarHBondContact CG1-O 3.49Å; A537-T565 CarbonylContact C-O 3.42Å; A537-T565 WeakPolarHBondContact CA-O 3.43Å; A537-Y567 HydrophobicContact CB-CD2 4.42Å; A537-Y567 HydrophobicContact CB-CE2 3.87Å
538	V	96.5	Very high	76.4	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	119.9	173.1	-170.4	0	0	0	0	109.1	L446 L448 L497 V535 I540 A564 T565 L566 Y567	L446-V538 HydrophobicContact CD2-CG1 4.44Å; L446-V538 CarbonylContact O-C 3.56Å; L446-V538 VanDerWaalsContact O-CA 3.27Å; L446-V538 WeakPolarHBondContact O-CA 3.22Å; L448-V538 HydrophobicContact CB-CG1 4.16Å; L497-V538 HydrophobicContact CD2-CG2 3.59Å; V535-V538 HydrophobicContact CG1-CG2 4.07Å; V538-I540 HydrophobicContact CG1-CD1 4.37Å; V538-I540 HydrophobicContact CG1-CG1 3.82Å; V538-A564 HydrophobicContact CG2-CB 4.02Å; V538-T565 PolarHBondContact N-O 3.27Å; V538-L566 HydrophobicContact CB-CD2 3.7Å; V538-L566 HydrophobicContact CG2-CD2 3.74Å; V538-Y567 PolarHBondContact O-N 3.02Å
539	Y	97.7	Very high	79.2	Confident	1 Å²	1	45.6 Å²	45.6	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.1	172.5	179.9	-120.5	0	0	0	110.2	A430 A433 L446 V447 L448 V458 F462 V541 Y567	A430-Y539 HydrophobicContact CB-CE1 3.93Å; A433-Y539 HydrophobicContact CB-CD1 4.38Å; A433-Y539 HydrophobicContact CB-CD2 3.61Å; A433-Y539 HydrophobicContact CB-CE1 4.13Å; A433-Y539 HydrophobicContact CB-CE2 3.32Å; A433-Y539 HydrophobicContact CB-CG 4.14Å; L446-Y539 PolarHBondContact O-N 3.16Å; V447-Y539 WeakPolarHBondContact CA-O 3.38Å; V447-Y539 HydrophobicContact CG1-CD1 4.45Å; L448-Y539 PolarHBondContact N-O 3.27Å; V458-Y539 HydrophobicContact CG1-CE1 4.24Å; F462-Y539 AromaticContact CD2-CD1 3.53Å; F462-Y539 HydrophobicContact CD2-CD1 3.53Å; F462-Y539 HydrophobicContact CD2-CE1 4.02Å; F462-Y539 HydrophobicContact CD2-CG 4.12Å; F462-Y539 AromaticContact CE2-CD1 3.79Å; F462-Y539 HydrophobicContact CE2-CD1 3.79Å; F462-Y539 AromaticContact CE2-CG 3.88Å; F462-Y539 HydrophobicContact CE2-CG 3.88Å; F462-Y539 HydrophobicContact CG-CD1 4.47Å; Y539-V541 HydrophobicContact CD1-CG2 4.36Å; Y539-V541 HydrophobicContact CE1-CG2 3.7Å; Y539-Y567 CarbonylContact C-O 3.56Å
540	I	97.3	Very high	82.3	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.9	-169.6	-52.4	170	0	0	0	109.5	L448 V538 A542 I547 I550 I554 Y567 A568 S569 L588	L448-I540 HydrophobicContact CB-CG1 4.32Å; L448-I540 HydrophobicContact CD2-CG1 4.34Å; L448-I540 HydrophobicContact CD2-CG2 4.44Å; L448-I540 WeakPolarHBondContact O-CA 3.44Å; V538-I540 HydrophobicContact CG1-CD1 4.37Å; V538-I540 HydrophobicContact CG1-CG1 3.82Å; I540-A542 HydrophobicContact CG2-CB 3.84Å; I540-I547 HydrophobicContact CB-CD1 4.49Å; I540-I547 HydrophobicContact CG2-CD1 4.12Å; I540-I550 HydrophobicContact CD1-CG2 4.09Å; I540-I550 HydrophobicContact CG2-CD1 4.11Å; I540-I550 HydrophobicContact CG2-CG2 4.25Å; I540-I554 HydrophobicContact CD1-CD1 4.28Å; I540-Y567 WeakPolarHBondContact CB-O 3.32Å; I540-Y567 PolarHBondContact N-O 3.4Å; I540-A568 HydrophobicContact CB-CB 4.43Å; I540-A568 WeakPolarHBondContact O-CA 3.26Å; I540-S569 PolarHBondContact O-N 3.45Å; I540-S569 VanDerWaalsContact O-N 3.1Å; I540-L588 HydrophobicContact CD1-CD1 4.44Å
541	V	96.4	Very high	85.2	Confident	3 Å²	3	35.1 Å²	35.1	2%	0.018	21%	0.211	C	C	.	.			trans	-109.6	98.4	169.8	179.5	0	0	0	0	108.7	L448 I449 P450 V458 F479 Y539	L448-V541 PolarHBondContact O-N 3.2Å; I449-V541 HydrophobicContact CG2-CB 4.33Å; P450-V541 VanDerWaalsContact CD-O 3.3Å; P450-V541 WeakPolarHBondContact CD-O 3.45Å; V458-V541 HydrophobicContact CG1-CB 4.44Å; V458-V541 HydrophobicContact CG1-CG2 3.59Å; F479-V541 WeakPolarHBondContact CE1-O 3.5Å; F479-V541 VanDerWaalsContact CZ-O 3.3Å; F479-V541 WeakPolarHBondContact CZ-O 3.24Å; Y539-V541 HydrophobicContact CD1-CG2 4.36Å; Y539-V541 HydrophobicContact CE1-CG2 3.7Å
542	A	93.8	Very high	87.5	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.183	C	C	.	.			trans	-141.7	154	-174.6	0	0	0	0	0	110.9	F479 I540 E546 I547 I550 R571 S572	F479-A542 HydrophobicContact CE1-CB 4.49Å; F479-A542 HydrophobicContact CZ-CB 3.97Å; I540-A542 HydrophobicContact CG2-CB 3.84Å; A542-E546 HydrophobicContact CB-CB 3.92Å; A542-I547 HydrophobicContact CB-CB 4.1Å; A542-I550 HydrophobicContact CB-CD1 3.71Å; A542-R571 CarbonylContact O-C 3.57Å; A542-R571 WeakPolarHBondContact O-CG 3.47Å; A542-S572 VanDerWaalsContact O-CA 3.28Å; A542-S572 WeakPolarHBondContact O-CA 3.48Å; A542-S572 WeakPolarHBondContact O-CB 3.28Å; A542-S572 PolarHBondContact O-N 3.34Å; A542-S572 VanDerWaalsContact O-N 3.17Å; A542-S572 PolarHBondContact O-OG 2.86Å
543	T	90.5	Very high	89.8	Confident	39 Å²	39	27.3 Å²	27.3	24%	0.239	16%	0.158	C	C	.	.			trans	-71.6	164.7	164.9	62	0	0	0	0	110.6	G545 E546 I547 R571	T543-G545 VanDerWaalsContact C-N 3.26Å; T543-G545 PolarHBondContact O-N 3Å; T543-E546 WeakPolarHBondContact CB-OE2 3.35Å; T543-E546 WeakPolarHBondContact CG2-OE2 3.19Å; T543-E546 PolarHBondContact N-OE2 2.9Å; T543-E546 PolarHBondContact O-N 3.13Å; T543-E546 VanDerWaalsContact OG1-CG 3.25Å; T543-E546 WeakPolarHBondContact OG1-CG 3.47Å; T543-E546 PolarHBondContact OG1-N 3.31Å; T543-E546 PolarHBondContact OG1-OE2 2.9Å; T543-I547 PolarHBondContact O-N 3.27Å; T543-R571 HydrophobicContact CG2-CG 4.49Å
544	P	86.6	Confident	91.5	Very high	12 Å²	12	25 Å²	25	8%	0.078	13%	0.133	C	C	.	.	H	α-helix	trans	-62.4	-34.2	179.7	-27.3	42	0	0	0	112.5	I547 A548 R571 Q574 F581	P544-I547 WeakPolarHBondContact O-CG2 3.33Å; P544-A548 PolarHBondContact O-N 2.92Å; P544-R571 VanDerWaalsContact CD-O 3.3Å; P544-R571 WeakPolarHBondContact CD-O 3.21Å; P544-Q574 HydrophobicContact CB-CB 4.38Å; P544-Q574 HydrophobicContact CB-CG 4.25Å; P544-Q574 HydrophobicContact CG-CB 4.06Å; P544-Q574 HydrophobicContact CG-CG 3.63Å; P544-F581 HydrophobicContact CB-CE2 4.49Å; P544-F581 HydrophobicContact CB-CZ 4.26Å
545	G	86.6	Confident	91.8	Very high	39 Å²	39	17.7 Å²	17.7	40%	0.402	11%	0.113	S	C	.	.	H	α-helix	trans	-68.7	-32	173.3	0	0	0	0	0	113.7	T543 F549	T543-G545 VanDerWaalsContact C-N 3.26Å; T543-G545 PolarHBondContact O-N 3Å; G545-F549 WeakPolarHBondContact O-CD2 3.09Å; G545-F549 WeakPolarHBondContact O-CE2 3.4Å
546	E	92.5	Very high	91.5	Very high	22 Å²	22	21.9 Å²	21.9	10%	0.103	13%	0.133	C	C	.	.	H	α-helix	trans	-78.8	-42	177.4	-71.6	160.6	152.9	0	0	111.8	F479 L485 A542 T543 A548 F549 I550	F479-E546 HydrophobicContact CE2-CB 4.26Å; F479-E546 HydrophobicContact CE2-CG 4.18Å; L485-E546 HydrophobicContact CD1-CB 3.89Å; L485-E546 HydrophobicContact CD1-CG 4.02Å; A542-E546 HydrophobicContact CB-CB 3.92Å; T543-E546 WeakPolarHBondContact CB-OE2 3.35Å; T543-E546 WeakPolarHBondContact CG2-OE2 3.19Å; T543-E546 PolarHBondContact N-OE2 2.9Å; T543-E546 PolarHBondContact O-N 3.13Å; T543-E546 VanDerWaalsContact OG1-CG 3.25Å; T543-E546 WeakPolarHBondContact OG1-CG 3.47Å; T543-E546 PolarHBondContact OG1-N 3.31Å; T543-E546 PolarHBondContact OG1-OE2 2.9Å; E546-A548 VanDerWaalsContact C-N 3.26Å; E546-A548 PolarHBondContact O-N 3.5Å; E546-F549 PolarHBondContact O-N 3.35Å; E546-I550 HydrophobicContact CB-CD1 4.33Å; E546-I550 WeakPolarHBondContact O-CG1 3.38Å; E546-I550 PolarHBondContact O-N 2.87Å
547	I	92.5	Very high	91.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67	-29.9	-176.5	-157.9	152.6	0	0	0	112.9	I540 A542 T543 P544 F549 I550 K551 A568 S572 F581 M585 L588 Y590	I540-I547 HydrophobicContact CB-CD1 4.49Å; I540-I547 HydrophobicContact CG2-CD1 4.12Å; A542-I547 HydrophobicContact CB-CB 4.1Å; T543-I547 PolarHBondContact O-N 3.27Å; P544-I547 WeakPolarHBondContact O-CG2 3.33Å; I547-F549 PolarHBondContact O-N 3.18Å; I547-I550 PolarHBondContact O-N 3.26Å; I547-K551 PolarHBondContact O-N 3.36Å; I547-K551 VanDerWaalsContact O-N 3.16Å; I547-A568 HydrophobicContact CD1-CB 3.67Å; I547-S572 WeakPolarHBondContact CD1-OG 3.49Å; I547-F581 HydrophobicContact CG2-CE2 4.16Å; I547-F581 HydrophobicContact CG2-CZ 3.83Å; I547-M585 HydrophobicContact CG1-SD 4.21Å; I547-M585 HydrophobicContact CG2-CE 4.45Å; I547-M585 HydrophobicContact CG2-SD 4.05Å; I547-L588 HydrophobicContact CD1-CD2 3.36Å; I547-L588 HydrophobicContact CG1-CD2 3.91Å; I547-Y590 HydrophobicContact CD1-CE1 4.36Å
548	A	89.7	Confident	90.6	Very high	26 Å²	26	30.9 Å²	30.9	22%	0.215	17%	0.168	C	C	.	.	H	α-helix	trans	-56.6	-28.1	171.2	0	0	0	0	0	113.2	P544 E546 P552 F581	P544-A548 PolarHBondContact O-N 2.92Å; E546-A548 VanDerWaalsContact C-N 3.26Å; E546-A548 PolarHBondContact O-N 3.5Å; A548-P552 WeakPolarHBondContact O-CD 3.43Å; A548-P552 VanDerWaalsContact O-CG 3.25Å; A548-P552 WeakPolarHBondContact O-CG 3.33Å; A548-F581 HydrophobicContact CB-CE2 4.27Å
549	F	91.6	Very high	89.5	Confident	49 Å²	49	32.6 Å²	32.6	22%	0.215	19%	0.186	C	C	.	.	H	α-helix	trans	-94.6	-39.5	173.9	-59.7	-72.1	0	0	0	112.3	T482 L485 R486 V489 G545 E546 I547 K551 P552 M553	T482-F549 HydrophobicContact CG2-CD2 3.95Å; T482-F549 HydrophobicContact CG2-CE2 3.55Å; L485-F549 HydrophobicContact CB-CB 3.79Å; L485-F549 HydrophobicContact CB-CD2 4.34Å; L485-F549 HydrophobicContact CB-CG 4.2Å; L485-F549 HydrophobicContact CD1-CB 4.48Å; R486-F549 HydrophobicContact CB-CE1 4.2Å; R486-F549 HydrophobicContact CB-CZ 4.35Å; R486-F549 HydrophobicContact CG-CE1 4.21Å; R486-F549 HydrophobicContact CG-CZ 4.48Å; V489-F549 HydrophobicContact CG2-CB 4.3Å; V489-F549 HydrophobicContact CG2-CD1 4.11Å; G545-F549 WeakPolarHBondContact O-CD2 3.09Å; G545-F549 WeakPolarHBondContact O-CE2 3.4Å; E546-F549 PolarHBondContact O-N 3.35Å; I547-F549 PolarHBondContact O-N 3.18Å; F549-K551 PolarHBondContact O-N 2.95Å; F549-P552 WeakPolarHBondContact O-CD 3.35Å; F549-M553 HydrophobicContact CB-SD 4.47Å; F549-M553 WeakPolarHBondContact O-CB 3.49Å; F549-M553 WeakPolarHBondContact O-CG 3.28Å; F549-M553 PolarHBondContact O-N 3.06Å
550	I	92.8	Very high	88.1	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-58.3	-49.1	-175.7	-72.6	167.1	0	0	0	111.8	L448 F479 L485 I495 I540 A542 E546 I547 M553 I554	L448-I550 HydrophobicContact CD2-CG2 3.43Å; L448-I550 VanDerWaalsContact CD2-CG2 3.43Å; F479-I550 HydrophobicContact CD1-CD1 4.02Å; F479-I550 HydrophobicContact CD2-CD1 4.18Å; F479-I550 HydrophobicContact CE1-CD1 3.86Å; F479-I550 HydrophobicContact CE2-CD1 4.1Å; F479-I550 HydrophobicContact CG-CD1 4.18Å; F479-I550 HydrophobicContact CZ-CD1 3.92Å; L485-I550 HydrophobicContact CD1-CD1 4.32Å; L485-I550 HydrophobicContact CD1-CG1 4.02Å; L485-I550 HydrophobicContact CD2-CG1 4.01Å; I495-I550 HydrophobicContact CD1-CB 4.29Å; I495-I550 HydrophobicContact CD1-CG1 4.13Å; I495-I550 HydrophobicContact CD1-CG2 4.09Å; I540-I550 HydrophobicContact CD1-CG2 4.09Å; I540-I550 HydrophobicContact CG2-CD1 4.11Å; I540-I550 HydrophobicContact CG2-CG2 4.25Å; A542-I550 HydrophobicContact CB-CD1 3.71Å; E546-I550 HydrophobicContact CB-CD1 4.33Å; E546-I550 WeakPolarHBondContact O-CG1 3.38Å; E546-I550 PolarHBondContact O-N 2.87Å; I547-I550 PolarHBondContact O-N 3.26Å; I550-M553 PolarHBondContact O-N 3.36Å; I550-I554 HydrophobicContact CG2-CD1 3.84Å; I550-I554 HydrophobicContact CG2-CG1 4.44Å; I550-I554 WeakPolarHBondContact O-CG1 3.43Å; I550-I554 PolarHBondContact O-N 3.02Å
551	K	90.9	Very high	86.3	Confident	35 Å²	35	46.2 Å²	46.2	15%	0.152	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-47.6	-175.8	-179.9	-178.9	176.8	-167.2	0	112.1	I547 F549 M553 I554 A555 L566 E584 M585 E586	I547-K551 PolarHBondContact O-N 3.36Å; I547-K551 VanDerWaalsContact O-N 3.16Å; F549-K551 PolarHBondContact O-N 2.95Å; K551-M553 VanDerWaalsContact C-N 3.34Å; K551-M553 PolarHBondContact O-N 3.06Å; K551-I554 PolarHBondContact O-N 2.74Å; K551-A555 PolarHBondContact O-N 3.36Å; K551-A555 VanDerWaalsContact O-N 3.09Å; K551-L566 HydrophobicContact CD-CD1 4.49Å; K551-L566 HydrophobicContact CG-CD1 4.07Å; K551-E584 WeakPolarHBondContact CD-O 3.19Å; K551-E584 VanDerWaalsContact CE-O 3.31Å; K551-E584 WeakPolarHBondContact CE-O 3.25Å; K551-E584 PolarHBondContact NZ-O 3.14Å; K551-M585 HydrophobicContact CB-CE 4.5Å; K551-M585 HydrophobicContact CD-SD 4.18Å; K551-M585 PolarHBondContact NZ-O 2.9Å; K551-E586 PolarHBondContact NZ-O 3.38Å
552	P	88.3	Confident	84.8	Confident	52 Å²	52	47 Å²	47	34%	0.338	27%	0.268	S	S	.	.	H	α-helix	trans	-55.9	-43.7	169.9	-29.4	36.6	0	0	0	113.6	A548 F549 I554 A555 M556	A548-P552 WeakPolarHBondContact O-CD 3.43Å; A548-P552 VanDerWaalsContact O-CG 3.25Å; A548-P552 WeakPolarHBondContact O-CG 3.33Å; F549-P552 WeakPolarHBondContact O-CD 3.35Å; P552-I554 VanDerWaalsContact C-N 3.33Å; P552-I554 PolarHBondContact O-N 3.1Å; P552-A555 PolarHBondContact O-N 2.5Å; P552-A555 VanDerWaalsContact O-N 3.14Å; P552-M556 WeakPolarHBondContact O-CB 3.49Å; P552-M556 VanDerWaalsContact O-CG 3.24Å; P552-M556 WeakPolarHBondContact O-CG 3.19Å; P552-M556 PolarHBondContact O-N 3.37Å
553	M	89.8	Confident	83.8	Confident	13 Å²	13	49.1 Å²	49.1	6%	0.064	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-35.5	179.6	-68.5	172.7	80.1	0	0	113	L485 V489 S493 G494 I495 F549 I550 K551 R557	L485-M553 HydrophobicContact CB-SD 4.32Å; L485-M553 HydrophobicContact CD2-CE 4.39Å; L485-M553 HydrophobicContact CD2-SD 3.74Å; V489-M553 HydrophobicContact CG2-CG 3.36Å; V489-M553 HydrophobicContact CG2-SD 3.89Å; S493-M553 WeakPolarHBondContact O-CE 3.45Å; G494-M553 CarbonylContact C-O 3.59Å; G494-M553 WeakPolarHBondContact CA-O 3.23Å; I495-M553 HydrophobicContact CB-CB 4.29Å; I495-M553 HydrophobicContact CD1-CB 3.96Å; I495-M553 HydrophobicContact CD1-CE 4.42Å; I495-M553 HydrophobicContact CD1-SD 4.17Å; I495-M553 HydrophobicContact CG1-CB 3.74Å; I495-M553 HydrophobicContact CG1-CE 3.95Å; I495-M553 HydrophobicContact CG1-SD 4.27Å; I495-M553 PolarHBondContact N-O 2.83Å; F549-M553 HydrophobicContact CB-SD 4.47Å; F549-M553 WeakPolarHBondContact O-CB 3.49Å; F549-M553 WeakPolarHBondContact O-CG 3.28Å; F549-M553 PolarHBondContact O-N 3.06Å; I550-M553 PolarHBondContact O-N 3.36Å; K551-M553 VanDerWaalsContact C-N 3.34Å; K551-M553 PolarHBondContact O-N 3.06Å; M553-R557 PolarHBondContact O-N 3.26Å
554	I	90.3	Very high	83.7	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-64	-46.8	172.5	-68.4	169.3	0	0	0	109.9	L448 I495 L497 I540 I550 K551 P552 M556 R557 N558 L566	L448-I554 HydrophobicContact CD2-CD1 4.31Å; I495-I554 HydrophobicContact CB-CG1 3.96Å; I495-I554 HydrophobicContact CG2-CG1 4.07Å; L497-I554 HydrophobicContact CD2-CG2 3.94Å; L497-I554 HydrophobicContact CG-CG2 4.47Å; I540-I554 HydrophobicContact CD1-CD1 4.28Å; I550-I554 HydrophobicContact CG2-CD1 3.84Å; I550-I554 HydrophobicContact CG2-CG1 4.44Å; I550-I554 WeakPolarHBondContact O-CG1 3.43Å; I550-I554 PolarHBondContact O-N 3.02Å; K551-I554 PolarHBondContact O-N 2.74Å; P552-I554 VanDerWaalsContact C-N 3.33Å; P552-I554 PolarHBondContact O-N 3.1Å; I554-M556 PolarHBondContact O-N 3.05Å; I554-R557 PolarHBondContact O-N 2.75Å; I554-N558 PolarHBondContact O-N 3.03Å; I554-N558 PolarHBondContact O-ND2 2.64Å; I554-L566 HydrophobicContact CD1-CD2 4.25Å
555	A	87.2	Confident	84.1	Confident	35 Å²	35	49 Å²	49	29%	0.289	29%	0.29	S	S	.	.	H	α-helix	trans	-63.8	-38.4	178.9	0	0	0	0	0	112.3	K551 P552 R557 G559	K551-A555 PolarHBondContact O-N 3.36Å; K551-A555 VanDerWaalsContact O-N 3.09Å; P552-A555 PolarHBondContact O-N 2.5Å; P552-A555 VanDerWaalsContact O-N 3.14Å; A555-R557 VanDerWaalsContact C-N 3.33Å; A555-R557 PolarHBondContact O-N 3.03Å; A555-G559 CarbonylContact O-C 3.58Å; A555-G559 WeakPolarHBondContact O-CA 3.32Å; A555-G559 PolarHBondContact O-N 2.92Å
556	M	83.4	Confident	84.5	Confident	94 Å²	94	48 Å²	48	46%	0.463	28%	0.276	S	S	.	.	H	α-helix	trans	-60.8	-38.5	176.6	-74.6	170.4	68.3	0	0	112.7	V489 P552 I554	V489-M556 HydrophobicContact CG1-SD 4.43Å; P552-M556 WeakPolarHBondContact O-CB 3.49Å; P552-M556 VanDerWaalsContact O-CG 3.24Å; P552-M556 WeakPolarHBondContact O-CG 3.19Å; P552-M556 PolarHBondContact O-N 3.37Å; I554-M556 PolarHBondContact O-N 3.05Å
557	R	84.1	Confident	84.7	Confident	170 Å²	170	47.4 Å²	47.4	64%	0.642	27%	0.273	S	S	*	.	H	α-helix	trans	-88.6	-34.1	-175.9	-176.4	59.3	172.4	176.7	0.3	113.8	A496 M553 I554 A555	A496-R557 HydrophobicContact CB-CG 3.97Å; M553-R557 PolarHBondContact O-N 3.26Å; I554-R557 PolarHBondContact O-N 2.75Å; A555-R557 VanDerWaalsContact C-N 3.33Å; A555-R557 PolarHBondContact O-N 3.03Å
558	N	84.2	Confident	84.8	Confident	54 Å²	54	47.4 Å²	47.4	29%	0.289	27%	0.273	S	S	.	.	H	α-helix	trans	-116.4	-1.2	-169.4	-48.6	-88.4	0	0	0	112.9	I495 L497 I554	I495-N558 PolarHBondContact O-ND2 3.27Å; L497-N558 HydrophobicContact CD1-CB 4.42Å; L497-N558 HydrophobicContact CG-CB 4.48Å; L497-N558 PolarHBondContact N-OD1 3.34Å; I554-N558 PolarHBondContact O-N 3.03Å; I554-N558 PolarHBondContact O-ND2 2.64Å
559	G	73.6	Confident	85.1	Confident	37 Å²	37	46.3 Å²	46.3	38%	0.381	26%	0.263	S	S	.	.			trans	75.5	162.3	-168.6	0	0	0	0	0	112.6	A555 Q561 S562	A555-G559 CarbonylContact O-C 3.58Å; A555-G559 WeakPolarHBondContact O-CA 3.32Å; A555-G559 PolarHBondContact O-N 2.92Å; G559-Q561 PolarHBondContact O-N 3.14Å; G559-S562 PolarHBondContact O-N 3.23Å
560	S	67.1	Low	85.1	Confident	113 Å²	113	44.8 Å²	44.8	79%	0.79	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-13.6	176.2	-49.8	0	0	0	0	113.4
561	Q	60.6	Low	85.1	Confident	173 Å²	173	49.6 Å²	49.6	81%	0.808	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	39.2	179.4	-65.7	-69.5	-14.2	0	0	111.4	G559 G563	G559-Q561 PolarHBondContact O-N 3.14Å; Q561-G563 PolarHBondContact O-N 2.84Å
562	S	64.6	Low	85	Confident	19 Å²	19	47.9 Å²	47.9	13%	0.133	27%	0.27	C	S	.	.			trans	-56.6	-16.7	178	68.1	0	0	0	0	113	R534 G559 A564	R534-S562 PolarHBondContact NH2-O 2.84Å; G559-S562 PolarHBondContact O-N 3.23Å; S562-A564 PolarHBondContact O-N 3.48Å; S562-A564 PolarHBondContact OG-N 3.4Å
563	G	73	Confident	84.8	Confident	46 Å²	46	46.4 Å²	46.4	47%	0.474	26%	0.262	S	S	.	.			trans	72.5	-3.9	-178	0	0	0	0	0	113.5	Q561	Q561-G563 PolarHBondContact O-N 2.84Å
564	A	89.1	Confident	84.2	Confident	12 Å²	12	50.2 Å²	50.2	10%	0.099	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-85.4	127.8	173.7	0	0	0	0	0	109.9	L497 V535 D536 V538 S562	L497-A564 HydrophobicContact CD1-CB 3.67Å; V535-A564 HydrophobicContact CG1-CB 4.45Å; D536-A564 WeakPolarHBondContact O-CA 3.24Å; V538-A564 HydrophobicContact CG2-CB 4.02Å; S562-A564 PolarHBondContact O-N 3.48Å; S562-A564 PolarHBondContact OG-N 3.4Å
565	T	93.7	Very high	83	Confident	35 Å²	35	51.4 Å²	51.4	22%	0.215	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	130.6	173	-55.3	0	0	0	0	108.9	K442 D536 A537 V538 Y567	K442-T565 WeakPolarHBondContact CE-OG1 3.31Å; K442-T565 PolarHBondContact NZ-OG1 3.43Å; D536-T565 PolarHBondContact O-N 2.78Å; D536-T565 VanDerWaalsContact O-N 3.08Å; A537-T565 CarbonylContact C-O 3.42Å; A537-T565 WeakPolarHBondContact CA-O 3.43Å; V538-T565 PolarHBondContact N-O 3.27Å; T565-Y567 HydrophobicContact CG2-CD2 4.37Å; T565-Y567 HydrophobicContact CG2-CE1 4.17Å; T565-Y567 HydrophobicContact CG2-CE2 3.63Å; T565-Y567 WeakPolarHBondContact O-CD2 3.44Å; T565-Y567 WeakPolarHBondContact O-CE2 3.22Å
566	L	94.9	Very high	81.9	Confident	20 Å²	20	54.6 Å²	54.6	11%	0.105	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130.5	-179.3	-51.9	-178.3	0	0	0	110	V538 K551 I554 L588 Q589	V538-L566 HydrophobicContact CB-CD2 3.7Å; V538-L566 HydrophobicContact CG2-CD2 3.74Å; K551-L566 HydrophobicContact CD-CD1 4.49Å; K551-L566 HydrophobicContact CG-CD1 4.07Å; I554-L566 HydrophobicContact CD1-CD2 4.25Å; L566-L588 HydrophobicContact CB-CD1 3.54Å; L566-L588 WeakPolarHBondContact O-CD1 3.33Å; L566-Q589 PolarHBondContact O-N 3.08Å
567	Y	96.7	Very high	81	Confident	8 Å²	8	51.4 Å²	51.4	3%	0.031	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	147.6	175.9	-54.3	-96.2	0	0	0	108.8	H436 I437 Q440 A537 V538 Y539 I540 T565 Q589	H436-Y567 AromaticContact CD2-CE1 3.91Å; I437-Y567 HydrophobicContact CD1-CD1 4.42Å; I437-Y567 HydrophobicContact CD1-CD2 3.66Å; I437-Y567 HydrophobicContact CD1-CE2 4.04Å; I437-Y567 HydrophobicContact CD1-CG 3.86Å; I437-Y567 HydrophobicContact CG1-CD1 3.97Å; I437-Y567 HydrophobicContact CG1-CD2 3.73Å; I437-Y567 HydrophobicContact CG1-CE1 3.89Å; I437-Y567 HydrophobicContact CG1-CE2 3.65Å; I437-Y567 HydrophobicContact CG1-CG 3.88Å; I437-Y567 HydrophobicContact CG2-CE2 4.48Å; Q440-Y567 VanDerWaalsContact CD-OH 3.26Å; Q440-Y567 PolarHBondContact OE1-OH 3.31Å; A537-Y567 HydrophobicContact CB-CD2 4.42Å; A537-Y567 HydrophobicContact CB-CE2 3.87Å; V538-Y567 PolarHBondContact O-N 3.02Å; Y539-Y567 CarbonylContact C-O 3.56Å; I540-Y567 WeakPolarHBondContact CB-O 3.32Å; I540-Y567 PolarHBondContact N-O 3.4Å; T565-Y567 HydrophobicContact CG2-CD2 4.37Å; T565-Y567 HydrophobicContact CG2-CE1 4.17Å; T565-Y567 HydrophobicContact CG2-CE2 3.63Å; T565-Y567 WeakPolarHBondContact O-CD2 3.44Å; T565-Y567 WeakPolarHBondContact O-CE2 3.22Å; Y567-Q589 CarbonylContact C-O 3.48Å; Y567-Q589 VanDerWaalsContact CA-O 3.25Å; Y567-Q589 WeakPolarHBondContact CA-O 3.4Å; Y567-Q589 HydrophobicContact CD1-CB 3.99Å
568	A	95.5	Very high	80.1	Confident	1 Å²	1	45 Å²	45	1%	0.008	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	150.3	176.9	0	0	0	0	0	112.3	I540 I547 L588 Q589 Y590 S591	I540-A568 HydrophobicContact CB-CB 4.43Å; I540-A568 WeakPolarHBondContact O-CA 3.26Å; I547-A568 HydrophobicContact CD1-CB 3.67Å; A568-L588 HydrophobicContact CB-CD1 3.93Å; A568-L588 HydrophobicContact CB-CD2 4.22Å; A568-L588 HydrophobicContact CB-CG 4.2Å; A568-Q589 PolarHBondContact N-O 3.15Å; A568-Y590 HydrophobicContact CB-CD1 3.58Å; A568-Y590 HydrophobicContact CB-CE1 3.81Å; A568-Y590 HydrophobicContact CB-CG 4.46Å; A568-Y590 VanDerWaalsContact O-CA 3.25Å; A568-Y590 WeakPolarHBondContact O-CA 3.38Å; A568-S591 PolarHBondContact O-N 3.46Å; A568-S591 PolarHBondContact O-OG 3.32Å
569	S	94.7	Very high	79.5	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.014	30%	0.302	C	S	.	.			trans	-69.4	162.3	170.4	62.7	0	0	0	0	111.8	I540 R571 S572 S591	I540-S569 PolarHBondContact O-N 3.45Å; I540-S569 VanDerWaalsContact O-N 3.1Å; S569-R571 PolarHBondContact O-N 3.29Å; S569-R571 WeakPolarHBondContact OG-CB 3.17Å; S569-S572 WeakPolarHBondContact O-CB 3.12Å; S569-S572 PolarHBondContact O-N 3.15Å; S569-S591 WeakPolarHBondContact CA-OG 3.38Å
570	S	92.9	Very high	79.3	Confident	18 Å²	18	51 Å²	51	13%	0.126	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-51.4	-25.8	170.8	64.3	0	0	0	0	113.1	E429 S572 A573 S591 R619	E429-S570 WeakPolarHBondContact OE1-CB 3.3Å; E429-S570 PolarHBondContact OE1-N 3.39Å; E429-S570 PolarHBondContact OE1-OG 3.08Å; E429-S570 VanDerWaalsContact OE1-OG 3.06Å; E429-S570 PolarHBondContact OE2-OG 3.02Å; S570-S572 PolarHBondContact O-N 3.43Å; S570-S572 VanDerWaalsContact O-N 3.1Å; S570-A573 PolarHBondContact O-N 3.17Å; S570-S591 WeakPolarHBondContact CA-O 3.43Å; S570-S591 VanDerWaalsContact CB-O 3.26Å; S570-S591 WeakPolarHBondContact CB-O 3.23Å; S570-S591 PolarHBondContact N-O 3Å; S570-R619 PolarHBondContact O-NH2 3.3Å
571	R	91.5	Very high	79.8	Confident	100 Å²	100	47.3 Å²	47.3	38%	0.377	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-54.7	-27.2	172.8	-168.7	-176.9	173.7	119.6	-2.6	113.3	A542 T543 P544 S569	A542-R571 CarbonylContact O-C 3.57Å; A542-R571 WeakPolarHBondContact O-CG 3.47Å; T543-R571 HydrophobicContact CG2-CG 4.49Å; P544-R571 VanDerWaalsContact CD-O 3.3Å; P544-R571 WeakPolarHBondContact CD-O 3.21Å; S569-R571 PolarHBondContact O-N 3.29Å; S569-R571 WeakPolarHBondContact OG-CB 3.17Å
572	S	89.7	Confident	80.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-88.8	-10.5	-179.3	-56.2	0	0	0	0	113.7	A542 I547 S569 S570	A542-S572 VanDerWaalsContact O-CA 3.28Å; A542-S572 WeakPolarHBondContact O-CA 3.48Å; A542-S572 WeakPolarHBondContact O-CB 3.28Å; A542-S572 PolarHBondContact O-N 3.34Å; A542-S572 VanDerWaalsContact O-N 3.17Å; A542-S572 PolarHBondContact O-OG 2.86Å; I547-S572 WeakPolarHBondContact CD1-OG 3.49Å; S569-S572 WeakPolarHBondContact O-CB 3.12Å; S569-S572 PolarHBondContact O-N 3.15Å; S570-S572 PolarHBondContact O-N 3.43Å; S570-S572 VanDerWaalsContact O-N 3.1Å
573	A	84.5	Confident	81.2	Confident	21 Å²	21	49.9 Å²	49.9	17%	0.174	29%	0.286	C	S	.	.			trans	-91.4	138.1	179.2	0	0	0	0	0	111.7	S570	S570-A573 PolarHBondContact O-N 3.17Å
574	Q	77.1	Confident	81.4	Confident	93 Å²	93	52.9 Å²	52.9	44%	0.435	29%	0.288	S	S	.	.			trans	-139.7	137.7	176.2	-105.4	175.5	8.6	0	0	110.5	P544 T576 A577	P544-Q574 HydrophobicContact CB-CB 4.38Å; P544-Q574 HydrophobicContact CB-CG 4.25Å; P544-Q574 HydrophobicContact CG-CB 4.06Å; P544-Q574 HydrophobicContact CG-CG 3.63Å; Q574-T576 VanDerWaalsContact C-N 3.28Å; Q574-T576 PolarHBondContact O-N 2.84Å; Q574-A577 WeakPolarHBondContact O-CB 3.25Å; Q574-A577 PolarHBondContact O-N 3.44Å
575	G	65.8	Low	81.3	Confident	29 Å²	29	52.7 Å²	52.7	30%	0.299	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-22.9	179	0	0	0	0	0	114.9	A577 Y615	G575-A577 VanDerWaalsContact C-N 3.33Å; G575-Y615 VanDerWaalsContact CA-CD1 3.42Å
576	T	62.8	Low	80.8	Confident	101 Å²	101	57 Å²	57	62%	0.62	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	9.2	180	56.2	0	0	0	0	113.2	Q574 G578	Q574-T576 VanDerWaalsContact C-N 3.28Å; Q574-T576 PolarHBondContact O-N 2.84Å; T576-G578 PolarHBondContact O-N 3.49Å
577	A	66	Low	80.3	Confident	28 Å²	28	59 Å²	59	23%	0.231	33%	0.328	C	S	.	.			trans	-65.4	116.5	179.3	0	0	0	0	0	110.9	Q574 G575 F581	Q574-A577 WeakPolarHBondContact O-CB 3.25Å; Q574-A577 PolarHBondContact O-N 3.44Å; G575-A577 VanDerWaalsContact C-N 3.33Å; A577-F581 HydrophobicContact CB-CB 4.17Å; A577-F581 HydrophobicContact CB-CD1 3.48Å; A577-F581 VanDerWaalsContact CB-CD1 3.48Å; A577-F581 HydrophobicContact CB-CE1 4.09Å; A577-F581 HydrophobicContact CB-CG 4.01Å
578	G	65	Low	80	Confident	34 Å²	34	59.3 Å²	59.3	35%	0.351	33%	0.331	S	S	.	.			trans	-65.1	168.5	178.7	0	0	0	0	0	113.4	T576 D580 F581 R582	T576-G578 PolarHBondContact O-N 3.49Å; G578-D580 PolarHBondContact O-N 2.79Å; G578-F581 PolarHBondContact O-N 2.88Å; G578-F581 VanDerWaalsContact O-N 3.17Å; G578-R582 PolarHBondContact O-N 3.09Å; G578-R582 VanDerWaalsContact O-N 3.15Å
579	P	70.8	Confident	79.8	Confident	103 Å²	103	62.8 Å²	62.8	67%	0.669	35%	0.347	S	S	*	.	H	α-helix	trans	-52.7	-37	177.6	-25.7	34.3	0	0	0	113.4	R582 L583	P579-R582 WeakPolarHBondContact O-CB 3.5Å; P579-R582 PolarHBondContact O-N 3.43Å; P579-L583 WeakPolarHBondContact O-CG 3.19Å; P579-L583 PolarHBondContact O-N 3.38Å
580	D	70.1	Confident	79.5	Confident	116 Å²	116	66.3 Å²	66.3	62%	0.62	36%	0.36	S	S	*	.	H	α-helix	trans	-64.3	-47.9	179.2	-63.1	-24.2	0	0	0	111.8	G578 R582 L583 E584	G578-D580 PolarHBondContact O-N 2.79Å; D580-R582 VanDerWaalsContact C-N 3.26Å; D580-R582 PolarHBondContact O-N 2.95Å; D580-L583 PolarHBondContact O-N 2.93Å; D580-L583 VanDerWaalsContact O-N 3.14Å; D580-E584 WeakPolarHBondContact O-CB 3.25Å; D580-E584 WeakPolarHBondContact O-CG 3.1Å; D580-E584 PolarHBondContact O-N 3.29Å
581	F	76.7	Confident	79.4	Confident	35 Å²	35	66.8 Å²	66.8	15%	0.154	36%	0.363	C	S	.	.	H	α-helix	trans	-59	-39.8	174.6	-176.5	-88.9	0	0	0	111.1	P544 I547 A548 A577 G578 L583 E584 M585	P544-F581 HydrophobicContact CB-CE2 4.49Å; P544-F581 HydrophobicContact CB-CZ 4.26Å; I547-F581 HydrophobicContact CG2-CE2 4.16Å; I547-F581 HydrophobicContact CG2-CZ 3.83Å; A548-F581 HydrophobicContact CB-CE2 4.27Å; A577-F581 HydrophobicContact CB-CB 4.17Å; A577-F581 HydrophobicContact CB-CD1 3.48Å; A577-F581 VanDerWaalsContact CB-CD1 3.48Å; A577-F581 HydrophobicContact CB-CE1 4.09Å; A577-F581 HydrophobicContact CB-CG 4.01Å; G578-F581 PolarHBondContact O-N 2.88Å; G578-F581 VanDerWaalsContact O-N 3.17Å; F581-L583 PolarHBondContact O-N 3.29Å; F581-E584 PolarHBondContact O-N 2.8Å; F581-M585 HydrophobicContact CD1-CG 3.81Å; F581-M585 HydrophobicContact CD2-CG 4.41Å; F581-M585 HydrophobicContact CE1-CG 3.53Å; F581-M585 HydrophobicContact CE2-CE 4.17Å; F581-M585 HydrophobicContact CE2-CG 4.15Å; F581-M585 HydrophobicContact CG-CG 4.28Å; F581-M585 HydrophobicContact CZ-CE 4.48Å; F581-M585 HydrophobicContact CZ-CG 3.72Å; F581-M585 HydrophobicContact CZ-SD 4.27Å; F581-M585 VanDerWaalsContact O-CB 3.25Å; F581-M585 WeakPolarHBondContact O-CB 3.36Å; F581-M585 WeakPolarHBondContact O-CG 3.47Å; F581-M585 PolarHBondContact O-N 3.31Å
582	R	77.9	Confident	79.4	Confident	190 Å²	190	64.3 Å²	64.3	72%	0.717	36%	0.356	S	S	*	.	H	α-helix	trans	-65	-38.9	177.7	-67.7	-179.5	63.5	157.4	0.5	112.5	G578 P579 D580 E586	G578-R582 PolarHBondContact O-N 3.09Å; G578-R582 VanDerWaalsContact O-N 3.15Å; P579-R582 WeakPolarHBondContact O-CB 3.5Å; P579-R582 PolarHBondContact O-N 3.43Å; D580-R582 VanDerWaalsContact C-N 3.26Å; D580-R582 PolarHBondContact O-N 2.95Å; R582-E586 PolarHBondContact O-N 3.21Å
583	L	77.2	Confident	79.3	Confident	55 Å²	55	65.8 Å²	65.8	29%	0.288	36%	0.363	S	S	.	.	H	α-helix	trans	-68.3	-46.7	174.4	-72.6	168.2	0	0	0	111	P579 D580 F581 M585 E586	P579-L583 WeakPolarHBondContact O-CG 3.19Å; P579-L583 PolarHBondContact O-N 3.38Å; D580-L583 PolarHBondContact O-N 2.93Å; D580-L583 VanDerWaalsContact O-N 3.14Å; F581-L583 PolarHBondContact O-N 3.29Å; L583-M585 PolarHBondContact O-N 3.39Å; L583-E586 WeakPolarHBondContact O-CB 3.23Å; L583-E586 PolarHBondContact O-N 3.37Å; L583-E586 VanDerWaalsContact O-N 3.11Å
584	E	78	Confident	79.2	Confident	110 Å²	110	67.5 Å²	67.5	51%	0.514	37%	0.373	S	S	.	.	H	α-helix	trans	-59.1	-34	176.7	-74.1	178	179.5	0	0	112	K551 D580 F581	K551-E584 WeakPolarHBondContact CD-O 3.19Å; K551-E584 VanDerWaalsContact CE-O 3.31Å; K551-E584 WeakPolarHBondContact CE-O 3.25Å; K551-E584 PolarHBondContact NZ-O 3.14Å; D580-E584 WeakPolarHBondContact O-CB 3.25Å; D580-E584 WeakPolarHBondContact O-CG 3.1Å; D580-E584 PolarHBondContact O-N 3.29Å; F581-E584 PolarHBondContact O-N 2.8Å
585	M	86	Confident	79.7	Confident	8 Å²	8	63 Å²	63	4%	0.039	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	1.1	179.3	-65.7	-56.9	125.3	0	0	114.7	I547 K551 F581 L583 G587 L588 Y590	I547-M585 HydrophobicContact CG1-SD 4.21Å; I547-M585 HydrophobicContact CG2-CE 4.45Å; I547-M585 HydrophobicContact CG2-SD 4.05Å; K551-M585 HydrophobicContact CB-CE 4.5Å; K551-M585 HydrophobicContact CD-SD 4.18Å; K551-M585 PolarHBondContact NZ-O 2.9Å; F581-M585 HydrophobicContact CD1-CG 3.81Å; F581-M585 HydrophobicContact CD2-CG 4.41Å; F581-M585 HydrophobicContact CE1-CG 3.53Å; F581-M585 HydrophobicContact CE2-CE 4.17Å; F581-M585 HydrophobicContact CE2-CG 4.15Å; F581-M585 HydrophobicContact CG-CG 4.28Å; F581-M585 HydrophobicContact CZ-CE 4.48Å; F581-M585 HydrophobicContact CZ-CG 3.72Å; F581-M585 HydrophobicContact CZ-SD 4.27Å; F581-M585 VanDerWaalsContact O-CB 3.25Å; F581-M585 WeakPolarHBondContact O-CB 3.36Å; F581-M585 WeakPolarHBondContact O-CG 3.47Å; F581-M585 PolarHBondContact O-N 3.31Å; L583-M585 PolarHBondContact O-N 3.39Å; M585-G587 PolarHBondContact O-N 3.41Å; M585-L588 WeakPolarHBondContact O-CB 3.49Å; M585-L588 PolarHBondContact O-N 3.33Å; M585-L588 HydrophobicContact SD-CD2 3.77Å; M585-Y590 VanDerWaalsContact CB-OH 3.23Å; M585-Y590 WeakPolarHBondContact CB-OH 3.48Å; M585-Y590 WeakPolarHBondContact CG-OH 3.48Å
586	E	83.6	Confident	80.7	Confident	124 Å²	124	62.4 Å²	62.4	58%	0.579	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	125.1	178.8	-177.2	167.5	-160.9	0	0	114	K551 R582 L583	K551-E586 PolarHBondContact NZ-O 3.38Å; R582-E586 PolarHBondContact O-N 3.21Å; L583-E586 WeakPolarHBondContact O-CB 3.23Å; L583-E586 PolarHBondContact O-N 3.37Å; L583-E586 VanDerWaalsContact O-N 3.11Å
587	G	84.5	Confident	81.6	Confident	63 Å²	63	61.3 Å²	61.3	65%	0.649	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.5	-3.9	-177	0	0	0	0	0	115.5	M585	M585-G587 PolarHBondContact O-N 3.41Å
588	L	89.6	Confident	82	Confident	15 Å²	15	62 Å²	62	8%	0.079	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	128.4	169.4	-178.1	58.1	0	0	0	110.2	I540 I547 L566 A568 M585 Y590	I540-L588 HydrophobicContact CD1-CD1 4.44Å; I547-L588 HydrophobicContact CD1-CD2 3.36Å; I547-L588 HydrophobicContact CG1-CD2 3.91Å; L566-L588 HydrophobicContact CB-CD1 3.54Å; L566-L588 WeakPolarHBondContact O-CD1 3.33Å; A568-L588 HydrophobicContact CB-CD1 3.93Å; A568-L588 HydrophobicContact CB-CD2 4.22Å; A568-L588 HydrophobicContact CB-CG 4.2Å; M585-L588 WeakPolarHBondContact O-CB 3.49Å; M585-L588 PolarHBondContact O-N 3.33Å; M585-L588 HydrophobicContact SD-CD2 3.77Å; L588-Y590 HydrophobicContact CB-CE2 4.08Å; L588-Y590 HydrophobicContact CD2-CE1 3.61Å; L588-Y590 HydrophobicContact CD2-CE2 4.07Å; L588-Y590 WeakPolarHBondContact CD2-OH 3.37Å; L588-Y590 HydrophobicContact CG-CD2 4.46Å; L588-Y590 HydrophobicContact CG-CE1 3.97Å; L588-Y590 HydrophobicContact CG-CE2 3.83Å; L588-Y590 WeakPolarHBondContact O-CE2 3.35Å
589	Q	91.9	Very high	82.3	Confident	74 Å²	74	62.2 Å²	62.2	35%	0.346	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133.8	176.8	-62.1	-179.6	23.8	0	0	110.1	L566 Y567 A568	L566-Q589 PolarHBondContact O-N 3.08Å; Y567-Q589 CarbonylContact C-O 3.48Å; Y567-Q589 VanDerWaalsContact CA-O 3.25Å; Y567-Q589 WeakPolarHBondContact CA-O 3.4Å; Y567-Q589 HydrophobicContact CD1-CB 3.99Å; A568-Q589 PolarHBondContact N-O 3.15Å
590	Y	88.7	Confident	82.5	Confident	76 Å²	76	59.1 Å²	59.1	30%	0.298	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	142	-180	-54.3	-98.5	0	0	0	111	I547 A568 M585 L588	I547-Y590 HydrophobicContact CD1-CE1 4.36Å; A568-Y590 HydrophobicContact CB-CD1 3.58Å; A568-Y590 HydrophobicContact CB-CE1 3.81Å; A568-Y590 HydrophobicContact CB-CG 4.46Å; A568-Y590 VanDerWaalsContact O-CA 3.25Å; A568-Y590 WeakPolarHBondContact O-CA 3.38Å; M585-Y590 VanDerWaalsContact CB-OH 3.23Å; M585-Y590 WeakPolarHBondContact CB-OH 3.48Å; M585-Y590 WeakPolarHBondContact CG-OH 3.48Å; L588-Y590 HydrophobicContact CB-CE2 4.08Å; L588-Y590 HydrophobicContact CD2-CE1 3.61Å; L588-Y590 HydrophobicContact CD2-CE2 4.07Å; L588-Y590 WeakPolarHBondContact CD2-OH 3.37Å; L588-Y590 HydrophobicContact CG-CD2 4.46Å; L588-Y590 HydrophobicContact CG-CE1 3.97Å; L588-Y590 HydrophobicContact CG-CE2 3.83Å; L588-Y590 WeakPolarHBondContact O-CE2 3.35Å
591	S	90.7	Very high	83.1	Confident	27 Å²	27	58.2 Å²	58.2	19%	0.189	33%	0.328	C	S	.	.			trans	-79.3	141.9	161.8	42.6	0	0	0	0	110.3	E429 A568 S569 S570	E429-S591 VanDerWaalsContact CG-OG 3.25Å; E429-S591 WeakPolarHBondContact CG-OG 3.3Å; E429-S591 VanDerWaalsContact OE1-CB 3.23Å; E429-S591 WeakPolarHBondContact OE1-CB 3.46Å; E429-S591 PolarHBondContact OE1-OG 3.41Å; A568-S591 PolarHBondContact O-N 3.46Å; A568-S591 PolarHBondContact O-OG 3.32Å; S569-S591 WeakPolarHBondContact CA-OG 3.38Å; S570-S591 WeakPolarHBondContact CA-O 3.43Å; S570-S591 VanDerWaalsContact CB-O 3.26Å; S570-S591 WeakPolarHBondContact CB-O 3.23Å; S570-S591 PolarHBondContact N-O 3Å
592	E	90	Very high	83.5	Confident	48 Å²	48	61 Å²	61	22%	0.224	35%	0.349	C	S	.	.			trans	-158.1	155.7	179.9	-169.9	52.6	-91.2	0	0	111.1	L596 R619	E592-L596 HydrophobicContact CG-CB 3.62Å; E592-L596 HydrophobicContact CG-CD1 4.35Å; E592-R619 IonicContact OE1-CZ 2.79Å; E592-R619 IonicContact OE1-NE 3.59Å; E592-R619 PolarHBondContact OE1-NE 3.47Å; E592-R619 IonicContact OE1-NH2 3.59Å; E592-R619 IonicContact OE2-CZ 2.68Å; E592-R619 IonicContact OE2-NE 3.13Å; E592-R619 PolarHBondContact OE2-NE 2.91Å; E592-R619 IonicContact OE2-NH2 3.29Å; E592-R619 PolarHBondContact OE2-NH2 3.19Å
593	I	87.7	Confident	83.8	Confident	31 Å²	31	52.2 Å²	52.2	16%	0.159	32%	0.316	C	S	.	.			trans	-63.7	142.5	173.5	61.3	167.9	0	0	0	110.9	M595 L596 A597 R619 A622	I593-M595 HydrophobicContact CD1-CB 4.28Å; I593-M595 HydrophobicContact CD1-CE 4.01Å; I593-M595 PolarHBondContact O-N 3.39Å; I593-M595 VanDerWaalsContact O-N 3.11Å; I593-L596 HydrophobicContact CD1-CD1 4.07Å; I593-L596 HydrophobicContact CD1-CG 4.06Å; I593-L596 HydrophobicContact CG1-CB 4.01Å; I593-L596 HydrophobicContact CG1-CD1 3.92Å; I593-L596 HydrophobicContact CG1-CG 3.91Å; I593-L596 PolarHBondContact O-N 3.3Å; I593-A597 PolarHBondContact O-N 2.89Å; I593-A597 VanDerWaalsContact O-N 3.12Å; I593-R619 HydrophobicContact CD1-CB 4.29Å; I593-R619 HydrophobicContact CD1-CG 3.83Å; I593-R619 HydrophobicContact CG1-CG 4.13Å; I593-R619 HydrophobicContact CG2-CG 4.5Å; I593-A622 HydrophobicContact CD1-CB 3.38Å
594	P	83.3	Confident	84.3	Confident	57 Å²	57	51.1 Å²	51.1	37%	0.37	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-31.5	-173.4	-22.7	31.7	0	0	0	114	L596 A597 G598 G599 T649 R650	P594-L596 VanDerWaalsContact C-N 3.35Å; P594-L596 PolarHBondContact O-N 2.85Å; P594-A597 CarbonylContact O-C 3.54Å; P594-A597 PolarHBondContact O-N 3Å; P594-G598 PolarHBondContact O-N 3.17Å; P594-G599 WeakPolarHBondContact O-CA 3.43Å; P594-G599 PolarHBondContact O-N 2.79Å; P594-T649 CarbonylContact C-O 3.57Å; P594-T649 WeakPolarHBondContact CB-O 3.44Å; P594-R650 HydrophobicContact CG-CG 4.3Å
595	M	87.2	Confident	84.7	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	31%	0.312	C	S	.	.	I	π-helix	trans	-54.6	-47.3	173.6	-174.7	-169.6	78	0	0	112.2	I593 G598 L603 M604 A607 A618 A622 T649	I593-M595 HydrophobicContact CD1-CB 4.28Å; I593-M595 HydrophobicContact CD1-CE 4.01Å; I593-M595 PolarHBondContact O-N 3.39Å; I593-M595 VanDerWaalsContact O-N 3.11Å; M595-G598 PolarHBondContact O-N 2.9Å; M595-L603 HydrophobicContact CG-CD2 4.23Å; M595-L603 HydrophobicContact CG-CG 4.23Å; M595-L603 HydrophobicContact SD-CD2 3.94Å; M595-L603 HydrophobicContact SD-CG 3.78Å; M595-M604 HydrophobicContact CG-CB 4.21Å; M595-M604 WeakPolarHBondContact O-CB 3.41Å; M595-M604 WeakPolarHBondContact O-CG 3.22Å; M595-M604 VanDerWaalsContact O-SD 3.36Å; M595-A607 HydrophobicContact CE-CB 3.65Å; M595-A607 HydrophobicContact SD-CB 3.93Å; M595-A618 HydrophobicContact CE-CB 4.39Å; M595-A618 WeakPolarHBondContact CE-O 3.26Å; M595-A622 HydrophobicContact CE-CB 3.79Å; M595-A622 HydrophobicContact SD-CB 3.91Å; M595-T649 PolarHBondContact N-O 3.45Å; M595-T649 HydrophobicContact SD-CG2 4.45Å
596	L	86.6	Confident	84.9	Confident	15 Å²	15	55.1 Å²	55.1	8%	0.079	33%	0.328	C	S	.	.	I	π-helix	trans	-80.7	-18.2	179.8	-71.2	177.1	0	0	0	112.9	E592 I593 P594 G598 M604 L608 Y615 A618 R619	E592-L596 HydrophobicContact CG-CB 3.62Å; E592-L596 HydrophobicContact CG-CD1 4.35Å; I593-L596 HydrophobicContact CD1-CD1 4.07Å; I593-L596 HydrophobicContact CD1-CG 4.06Å; I593-L596 HydrophobicContact CG1-CB 4.01Å; I593-L596 HydrophobicContact CG1-CD1 3.92Å; I593-L596 HydrophobicContact CG1-CG 3.91Å; I593-L596 PolarHBondContact O-N 3.3Å; P594-L596 VanDerWaalsContact C-N 3.35Å; P594-L596 PolarHBondContact O-N 2.85Å; L596-G598 PolarHBondContact O-N 3.3Å; L596-M604 HydrophobicContact CD2-CG 4.36Å; L596-L608 HydrophobicContact CD2-CD2 3.87Å; L596-L608 HydrophobicContact CD2-CG 4.36Å; L596-Y615 HydrophobicContact CD1-CD2 4.18Å; L596-Y615 HydrophobicContact CD1-CG 4.09Å; L596-Y615 HydrophobicContact CD2-CD1 4.23Å; L596-Y615 HydrophobicContact CD2-CE1 4.2Å; L596-A618 HydrophobicContact CD1-CB 4.24Å; L596-A618 HydrophobicContact CD2-CB 3.96Å; L596-R619 HydrophobicContact CD1-CG 3.89Å
597	A	82.9	Confident	85.3	Confident	79 Å²	79	49.2 Å²	49.2	65%	0.653	30%	0.301	S	S	*	.	I	π-helix	trans	-81	0.7	170.6	0	0	0	0	0	113.5	I593 P594	I593-A597 PolarHBondContact O-N 2.89Å; I593-A597 VanDerWaalsContact O-N 3.12Å; P594-A597 CarbonylContact O-C 3.54Å; P594-A597 PolarHBondContact O-N 3Å
598	G	74.8	Confident	85.5	Confident	42 Å²	42	47 Å²	47	43%	0.433	27%	0.274	S	S	.	.	I	π-helix	trans	96.5	9.3	177.6	0	0	0	0	0	115.4	P594 M595 L596 N600	P594-G598 PolarHBondContact O-N 3.17Å; M595-G598 PolarHBondContact O-N 2.9Å; L596-G598 PolarHBondContact O-N 3.3Å; G598-N600 VanDerWaalsContact C-N 3.28Å; G598-N600 PolarHBondContact O-N 3.09Å
599	G	69.9	Low	85.5	Confident	38 Å²	38	50.4 Å²	50.4	39%	0.392	30%	0.299	S	S	.	.	I	π-helix	trans	-67.5	-21.3	-179.4	0	0	0	0	0	114.9	P594 S651	P594-G599 WeakPolarHBondContact O-CA 3.43Å; P594-G599 PolarHBondContact O-N 2.79Å; G599-S651 VanDerWaalsContact O-O 3.13Å
600	N	75.9	Confident	85.4	Confident	39 Å²	39	49.1 Å²	49.1	21%	0.209	30%	0.301	C	S	.	.	S	Bend	trans	-146.2	86.3	176.1	-171.7	-24.6	0	0	0	109.8	G598 P602 L603 M604 P648	G598-N600 VanDerWaalsContact C-N 3.28Å; G598-N600 PolarHBondContact O-N 3.09Å; N600-P602 WeakPolarHBondContact OD1-CD 3.18Å; N600-L603 HydrophobicContact CB-CB 4.09Å; N600-L603 VanDerWaalsContact CG-CB 3.43Å; N600-L603 PolarHBondContact O-N 3.06Å; N600-L603 WeakPolarHBondContact OD1-CB 3.49Å; N600-L603 PolarHBondContact OD1-N 2.83Å; N600-M604 WeakPolarHBondContact O-CB 3.47Å; N600-M604 PolarHBondContact O-N 3.44Å; N600-P648 PolarHBondContact ND2-O 3.37Å
601	L	82	Confident	85.5	Confident	97 Å²	97	45.8 Å²	45.8	51%	0.508	29%	0.289	S	S	.	.	H	α-helix	trans	-60.1	-43.9	-171.7	-161.6	75.3	0	0	0	113.8	M604 Q605	L601-M604 HydrophobicContact CD1-CE 3.58Å; L601-M604 PolarHBondContact O-N 3.1Å; L601-Q605 WeakPolarHBondContact O-CG 3.49Å; L601-Q605 PolarHBondContact O-N 2.74Å
602	P	84.4	Confident	85.3	Confident	92 Å²	92	51.3 Å²	51.3	60%	0.597	32%	0.316	S	S	*	.	H	α-helix	trans	-62.1	-45.7	176.4	-23.7	34.8	0	0	0	112.7	N600 M604 Q605 Q606	N600-P602 WeakPolarHBondContact OD1-CD 3.18Å; P602-M604 VanDerWaalsContact C-N 3.31Å; P602-M604 PolarHBondContact O-N 3.31Å; P602-Q605 PolarHBondContact O-N 3.11Å; P602-Q606 WeakPolarHBondContact O-CB 3.22Å; P602-Q606 PolarHBondContact O-N 3.21Å
603	L	85.6	Confident	85.1	Confident	7 Å²	7	52.9 Å²	52.9	4%	0.037	33%	0.326	C	S	.	.	H	α-helix	trans	-65	-38.1	178	-176.2	63.4	0	0	0	111.4	M595 N600 Q606 A607 Y621 V625 P648 T649	M595-L603 HydrophobicContact CG-CD2 4.23Å; M595-L603 HydrophobicContact CG-CG 4.23Å; M595-L603 HydrophobicContact SD-CD2 3.94Å; M595-L603 HydrophobicContact SD-CG 3.78Å; N600-L603 HydrophobicContact CB-CB 4.09Å; N600-L603 VanDerWaalsContact CG-CB 3.43Å; N600-L603 PolarHBondContact O-N 3.06Å; N600-L603 WeakPolarHBondContact OD1-CB 3.49Å; N600-L603 PolarHBondContact OD1-N 2.83Å; L603-Q606 PolarHBondContact O-N 3.35Å; L603-A607 VanDerWaalsContact O-CB 3.27Å; L603-A607 WeakPolarHBondContact O-CB 3.42Å; L603-A607 PolarHBondContact O-N 2.76Å; L603-Y621 HydrophobicContact CD1-CE1 4.1Å; L603-V625 HydrophobicContact CD1-CG2 4.2Å; L603-V625 HydrophobicContact CD2-CG1 4.16Å; L603-P648 HydrophobicContact CD2-CB 4.38Å; L603-T649 HydrophobicContact CD2-CG2 3.99Å
604	M	86.5	Confident	85.1	Confident	32 Å²	32	54.7 Å²	54.7	16%	0.158	34%	0.336	C	S	.	.	H	α-helix	trans	-62.7	-46.9	176	-171.7	-173.7	78.1	0	0	111.3	M595 L596 N600 L601 P602 Q606 A607 L608	M595-M604 HydrophobicContact CG-CB 4.21Å; M595-M604 WeakPolarHBondContact O-CB 3.41Å; M595-M604 WeakPolarHBondContact O-CG 3.22Å; M595-M604 VanDerWaalsContact O-SD 3.36Å; L596-M604 HydrophobicContact CD2-CG 4.36Å; N600-M604 WeakPolarHBondContact O-CB 3.47Å; N600-M604 PolarHBondContact O-N 3.44Å; L601-M604 HydrophobicContact CD1-CE 3.58Å; L601-M604 PolarHBondContact O-N 3.1Å; P602-M604 VanDerWaalsContact C-N 3.31Å; P602-M604 PolarHBondContact O-N 3.31Å; M604-Q606 VanDerWaalsContact C-N 3.35Å; M604-Q606 PolarHBondContact O-N 3.46Å; M604-A607 PolarHBondContact O-N 3.02Å; M604-L608 HydrophobicContact CE-CD1 4.42Å; M604-L608 HydrophobicContact CG-CD1 3.82Å; M604-L608 HydrophobicContact CG-CG 4.27Å; M604-L608 VanDerWaalsContact O-CB 3.3Å; M604-L608 WeakPolarHBondContact O-CB 3.47Å; M604-L608 VanDerWaalsContact O-CG 3.25Å; M604-L608 WeakPolarHBondContact O-CG 3.39Å; M604-L608 PolarHBondContact O-N 3.4Å; M604-L608 HydrophobicContact SD-CD1 4.46Å
605	Q	88.1	Confident	85.4	Confident	120 Å²	120	54.5 Å²	54.5	56%	0.561	33%	0.328	S	S	*	.	H	α-helix	trans	-60.6	-44.9	176.2	-73.2	176.2	3.2	0	0	111.4	L601 P602 S609	L601-Q605 WeakPolarHBondContact O-CG 3.49Å; L601-Q605 PolarHBondContact O-N 2.74Å; P602-Q605 PolarHBondContact O-N 3.11Å; Q605-S609 VanDerWaalsContact O-CB 3.26Å; Q605-S609 WeakPolarHBondContact O-CB 3.4Å; Q605-S609 PolarHBondContact O-N 3.12Å; Q605-S609 PolarHBondContact O-OG 2.96Å
606	Q	89.5	Confident	85.4	Confident	81 Å²	81	57.1 Å²	57.1	38%	0.379	35%	0.347	S	S	.	.	H	α-helix	trans	-59.5	-51.3	175.9	-174.7	-177.9	4.9	0	0	111.3	P602 L603 M604 S609 A610 Y621	P602-Q606 WeakPolarHBondContact O-CB 3.22Å; P602-Q606 PolarHBondContact O-N 3.21Å; L603-Q606 PolarHBondContact O-N 3.35Å; M604-Q606 VanDerWaalsContact C-N 3.35Å; M604-Q606 PolarHBondContact O-N 3.46Å; Q606-S609 PolarHBondContact O-N 2.82Å; Q606-S609 PolarHBondContact O-OG 3.46Å; Q606-A610 WeakPolarHBondContact O-CB 3.06Å; Q606-A610 PolarHBondContact O-N 3.43Å; Q606-Y621 VanDerWaalsContact CD-OH 3.29Å; Q606-Y621 PolarHBondContact NE2-OH 3.41Å; Q606-Y621 VanDerWaalsContact NE2-OH 3.1Å
607	A	90.7	Very high	85.7	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-61.3	-47.9	-179.4	0	0	0	0	0	111.9	M595 L603 M604 S609 A610 V611 Y621	M595-A607 HydrophobicContact CE-CB 3.65Å; M595-A607 HydrophobicContact SD-CB 3.93Å; L603-A607 VanDerWaalsContact O-CB 3.27Å; L603-A607 WeakPolarHBondContact O-CB 3.42Å; L603-A607 PolarHBondContact O-N 2.76Å; M604-A607 PolarHBondContact O-N 3.02Å; A607-S609 VanDerWaalsContact C-N 3.34Å; A607-S609 PolarHBondContact O-N 3.29Å; A607-A610 PolarHBondContact O-N 2.86Å; A607-V611 WeakPolarHBondContact O-CG2 3.37Å; A607-V611 PolarHBondContact O-N 3.37Å; A607-Y621 HydrophobicContact CB-CD1 3.49Å; A607-Y621 VanDerWaalsContact CB-CD1 3.49Å; A607-Y621 HydrophobicContact CB-CE1 3.88Å; A607-Y621 HydrophobicContact CB-CG 3.96Å
608	L	90.4	Very high	86.2	Confident	18 Å²	18	53.9 Å²	53.9	9%	0.094	32%	0.318	C	S	.	.	H	α-helix	trans	-64.8	-37.1	-179.8	-71.2	177.7	0	0	0	112.4	L596 M604 V611 N612 N613 Y615 A618	L596-L608 HydrophobicContact CD2-CD2 3.87Å; L596-L608 HydrophobicContact CD2-CG 4.36Å; M604-L608 HydrophobicContact CE-CD1 4.42Å; M604-L608 HydrophobicContact CG-CD1 3.82Å; M604-L608 HydrophobicContact CG-CG 4.27Å; M604-L608 VanDerWaalsContact O-CB 3.3Å; M604-L608 WeakPolarHBondContact O-CB 3.47Å; M604-L608 VanDerWaalsContact O-CG 3.25Å; M604-L608 WeakPolarHBondContact O-CG 3.39Å; M604-L608 PolarHBondContact O-N 3.4Å; M604-L608 HydrophobicContact SD-CD1 4.46Å; L608-V611 PolarHBondContact O-N 2.98Å; L608-N612 PolarHBondContact O-N 2.81Å; L608-N613 PolarHBondContact O-N 3.45Å; L608-Y615 HydrophobicContact CD1-CE1 4.49Å; L608-Y615 HydrophobicContact CD2-CD1 3.7Å; L608-Y615 HydrophobicContact CD2-CE1 3.52Å; L608-A618 HydrophobicContact CD2-CB 4.08Å
609	S	89.7	Confident	87	Confident	86 Å²	86	53 Å²	53	60%	0.601	30%	0.302	S	S	*	.	H	α-helix	trans	-65.5	-38.7	174.1	73.4	0	0	0	0	112.4	Q605 Q606 A607 V611	Q605-S609 VanDerWaalsContact O-CB 3.26Å; Q605-S609 WeakPolarHBondContact O-CB 3.4Å; Q605-S609 PolarHBondContact O-N 3.12Å; Q605-S609 PolarHBondContact O-OG 2.96Å; Q606-S609 PolarHBondContact O-N 2.82Å; Q606-S609 PolarHBondContact O-OG 3.46Å; A607-S609 VanDerWaalsContact C-N 3.34Å; A607-S609 PolarHBondContact O-N 3.29Å; S609-V611 VanDerWaalsContact C-N 3.27Å; S609-V611 PolarHBondContact O-N 3.24Å
610	A	89.6	Confident	88.2	Confident	46 Å²	46	53.1 Å²	53.1	38%	0.38	29%	0.293	S	S	.	.	H	α-helix	trans	-69.3	-24.6	-179.8	0	0	0	0	0	113.2	Q606 A607 Y621	Q606-A610 WeakPolarHBondContact O-CB 3.06Å; Q606-A610 PolarHBondContact O-N 3.43Å; A607-A610 PolarHBondContact O-N 2.86Å; A610-Y621 HydrophobicContact CB-CD2 4.33Å; A610-Y621 HydrophobicContact CB-CE2 4.11Å
611	V	90	Very high	89.1	Confident	7 Å²	7	51.6 Å²	51.6	4%	0.042	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	17.5	-171.7	-53.7	0	0	0	0	113.9	T275 A607 L608 S609 N613 D614 L617 A618	T275-V611 HydrophobicContact CG2-CG1 3.69Å; A607-V611 WeakPolarHBondContact O-CG2 3.37Å; A607-V611 PolarHBondContact O-N 3.37Å; L608-V611 PolarHBondContact O-N 2.98Å; S609-V611 VanDerWaalsContact C-N 3.27Å; S609-V611 PolarHBondContact O-N 3.24Å; V611-N613 VanDerWaalsContact C-N 3.27Å; V611-N613 PolarHBondContact O-N 2.81Å; V611-D614 WeakPolarHBondContact CG2-O 3.2Å; V611-D614 WeakPolarHBondContact O-CB 3.46Å; V611-D614 PolarHBondContact O-N 2.85Å; V611-L617 HydrophobicContact CB-CB 3.66Å; V611-L617 HydrophobicContact CB-CD1 4.44Å; V611-L617 HydrophobicContact CG1-CB 3.8Å; V611-L617 HydrophobicContact CG2-CB 4.22Å; V611-A618 HydrophobicContact CG2-CB 3.88Å
612	N	87.5	Confident	89.6	Confident	142 Å²	142	47.1 Å²	47.1	76%	0.759	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	41.9	179.2	-60.1	-45	0	0	0	113.5	L608 D614	L608-N612 PolarHBondContact O-N 2.81Å; N612-D614 PolarHBondContact O-N 2.8Å
613	N	85.1	Confident	90	Very high	82 Å²	82	43 Å²	43	44%	0.439	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	13.6	-177	-60.4	-59.3	0	0	0	116.2	L608 V611 Y615	L608-N613 PolarHBondContact O-N 3.45Å; V611-N613 VanDerWaalsContact C-N 3.27Å; V611-N613 PolarHBondContact O-N 2.81Å; N613-Y615 WeakPolarHBondContact O-CD1 3.2Å; N613-Y615 PolarHBondContact O-N 2.85Å
614	D	87.1	Confident	90.4	Very high	68 Å²	68	42.6 Å²	42.6	36%	0.364	23%	0.232	S	C	.	.			trans	-73.8	106.1	170.9	-173.9	-24.8	0	0	0	110.1	V611 N612 S616 L617 A618	V611-D614 WeakPolarHBondContact CG2-O 3.2Å; V611-D614 WeakPolarHBondContact O-CB 3.46Å; V611-D614 PolarHBondContact O-N 2.85Å; N612-D614 PolarHBondContact O-N 2.8Å; D614-S616 PolarHBondContact O-N 3.25Å; D614-S616 WeakPolarHBondContact OD1-CA 3.19Å; D614-S616 VanDerWaalsContact OD1-CB 3.22Å; D614-S616 WeakPolarHBondContact OD1-CB 3.5Å; D614-S616 PolarHBondContact OD1-N 3.04Å; D614-S616 PolarHBondContact OD1-OG 3.34Å; D614-L617 HydrophobicContact CB-CB 4.12Å; D614-L617 HydrophobicContact CB-CD1 4.13Å; D614-L617 HydrophobicContact CB-CG 4.13Å; D614-L617 CarbonylContact O-C 2.99Å; D614-L617 PolarHBondContact O-N 2.89Å; D614-L617 VanDerWaalsContact O-N 3.14Å; D614-L617 PolarHBondContact OD1-N 3.2Å; D614-A618 PolarHBondContact O-N 2.91Å
615	Y	89.6	Confident	90.6	Very high	53 Å²	53	41.1 Å²	41.1	21%	0.208	23%	0.225	C	C	.	.	H	α-helix	trans	-61.9	-29.7	-179.4	-80.2	17.4	0	0	0	113.2	G575 L596 L608 N613 L617 A618 R619	G575-Y615 VanDerWaalsContact CA-CD1 3.42Å; L596-Y615 HydrophobicContact CD1-CD2 4.18Å; L596-Y615 HydrophobicContact CD1-CG 4.09Å; L596-Y615 HydrophobicContact CD2-CD1 4.23Å; L596-Y615 HydrophobicContact CD2-CE1 4.2Å; L608-Y615 HydrophobicContact CD1-CE1 4.49Å; L608-Y615 HydrophobicContact CD2-CD1 3.7Å; L608-Y615 HydrophobicContact CD2-CE1 3.52Å; N613-Y615 WeakPolarHBondContact O-CD1 3.2Å; N613-Y615 PolarHBondContact O-N 2.85Å; Y615-L617 VanDerWaalsContact C-N 3.34Å; Y615-A618 PolarHBondContact O-N 3.39Å; Y615-R619 VanDerWaalsContact O-CG 3.32Å; Y615-R619 WeakPolarHBondContact O-CG 3.49Å; Y615-R619 PolarHBondContact O-N 3.24Å
616	S	88.4	Confident	90.7	Very high	56 Å²	56	36.3 Å²	36.3	39%	0.392	20%	0.203	S	C	.	.	H	α-helix	trans	-65.2	-43	176.6	-48.2	0	0	0	0	110.3	D614 M620	D614-S616 PolarHBondContact O-N 3.25Å; D614-S616 WeakPolarHBondContact OD1-CA 3.19Å; D614-S616 VanDerWaalsContact OD1-CB 3.22Å; D614-S616 WeakPolarHBondContact OD1-CB 3.5Å; D614-S616 PolarHBondContact OD1-N 3.04Å; D614-S616 PolarHBondContact OD1-OG 3.34Å; S616-M620 WeakPolarHBondContact O-CG 3.25Å; S616-M620 PolarHBondContact O-N 3.04Å
617	L	92.2	Very high	90.9	Very high	26 Å²	26	32.4 Å²	32.4	14%	0.136	19%	0.185	C	C	.	.	H	α-helix	trans	-72.6	-35.8	174.2	-64.3	-176.7	0	0	0	111.7	V271 F272 T275 V611 D614 Y615 R619 M620 Y621	V271-L617 HydrophobicContact CG2-CD1 4.08Å; V271-L617 HydrophobicContact CG2-CD2 3.89Å; F272-L617 HydrophobicContact CD1-CD2 3.85Å; F272-L617 HydrophobicContact CE1-CD2 3.98Å; T275-L617 HydrophobicContact CG2-CB 4.25Å; T275-L617 WeakPolarHBondContact CG2-O 3.46Å; V611-L617 HydrophobicContact CB-CB 3.66Å; V611-L617 HydrophobicContact CB-CD1 4.44Å; V611-L617 HydrophobicContact CG1-CB 3.8Å; V611-L617 HydrophobicContact CG2-CB 4.22Å; D614-L617 HydrophobicContact CB-CB 4.12Å; D614-L617 HydrophobicContact CB-CD1 4.13Å; D614-L617 HydrophobicContact CB-CG 4.13Å; D614-L617 CarbonylContact O-C 2.99Å; D614-L617 PolarHBondContact O-N 2.89Å; D614-L617 VanDerWaalsContact O-N 3.14Å; D614-L617 PolarHBondContact OD1-N 3.2Å; Y615-L617 VanDerWaalsContact C-N 3.34Å; L617-R619 VanDerWaalsContact C-N 3.29Å; L617-R619 PolarHBondContact O-N 3.21Å; L617-M620 CarbonylContact O-C 3.51Å; L617-M620 WeakPolarHBondContact O-CA 3.37Å; L617-M620 WeakPolarHBondContact O-CB 3.37Å; L617-M620 PolarHBondContact O-N 2.92Å; L617-Y621 PolarHBondContact O-N 3.16Å
618	A	92.8	Very high	90.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.7	-36.9	175.3	0	0	0	0	0	112	M595 L596 L608 V611 D614 Y615 M620 Y621 A622	M595-A618 HydrophobicContact CE-CB 4.39Å; M595-A618 WeakPolarHBondContact CE-O 3.26Å; L596-A618 HydrophobicContact CD1-CB 4.24Å; L596-A618 HydrophobicContact CD2-CB 3.96Å; L608-A618 HydrophobicContact CD2-CB 4.08Å; V611-A618 HydrophobicContact CG2-CB 3.88Å; D614-A618 PolarHBondContact O-N 2.91Å; Y615-A618 PolarHBondContact O-N 3.39Å; A618-M620 VanDerWaalsContact C-N 3.35Å; A618-Y621 WeakPolarHBondContact O-CB 3.36Å; A618-Y621 PolarHBondContact O-N 2.95Å; A618-A622 PolarHBondContact O-N 3.15Å
619	R	92.8	Very high	90.7	Very high	24 Å²	24	32.6 Å²	32.6	9%	0.091	19%	0.186	C	C	.	.	H	α-helix	trans	-64.1	-38.3	171.3	-70.4	177.8	-154.8	118.3	3	112.3	L424 S570 E592 I593 L596 Y615 L617 Y621 A622 M623	L424-R619 HydrophobicContact CD1-CB 4.01Å; S570-R619 PolarHBondContact O-NH2 3.3Å; E592-R619 IonicContact OE1-CZ 2.79Å; E592-R619 IonicContact OE1-NE 3.59Å; E592-R619 PolarHBondContact OE1-NE 3.47Å; E592-R619 IonicContact OE1-NH2 3.59Å; E592-R619 IonicContact OE2-CZ 2.68Å; E592-R619 IonicContact OE2-NE 3.13Å; E592-R619 PolarHBondContact OE2-NE 2.91Å; E592-R619 IonicContact OE2-NH2 3.29Å; E592-R619 PolarHBondContact OE2-NH2 3.19Å; I593-R619 HydrophobicContact CD1-CB 4.29Å; I593-R619 HydrophobicContact CD1-CG 3.83Å; I593-R619 HydrophobicContact CG1-CG 4.13Å; I593-R619 HydrophobicContact CG2-CG 4.5Å; L596-R619 HydrophobicContact CD1-CG 3.89Å; Y615-R619 VanDerWaalsContact O-CG 3.32Å; Y615-R619 WeakPolarHBondContact O-CG 3.49Å; Y615-R619 PolarHBondContact O-N 3.24Å; L617-R619 VanDerWaalsContact C-N 3.29Å; L617-R619 PolarHBondContact O-N 3.21Å; R619-Y621 VanDerWaalsContact C-N 3.35Å; R619-A622 PolarHBondContact O-N 2.92Å; R619-M623 WeakPolarHBondContact O-CB 3.25Å; R619-M623 PolarHBondContact O-N 3.22Å
620	M	94.3	Very high	90.6	Very high	40 Å²	40	29.4 Å²	29.4	20%	0.197	16%	0.162	C	C	.	.	H	α-helix	trans	-67	-36.3	173.7	-64.6	-62.9	136.3	0	0	112.1	F272 T275 I276 L424 S616 L617 A618 M623 G624	F272-M620 HydrophobicContact CD1-CG 4Å; T275-M620 HydrophobicContact CG2-CB 4.08Å; I276-M620 HydrophobicContact CD1-SD 4.12Å; I276-M620 HydrophobicContact CG1-CB 4.01Å; I276-M620 WeakPolarHBondContact CG1-O 3.35Å; I276-M620 HydrophobicContact CG1-SD 4.41Å; L424-M620 HydrophobicContact CD1-CE 4.08Å; S616-M620 WeakPolarHBondContact O-CG 3.25Å; S616-M620 PolarHBondContact O-N 3.04Å; L617-M620 CarbonylContact O-C 3.51Å; L617-M620 WeakPolarHBondContact O-CA 3.37Å; L617-M620 WeakPolarHBondContact O-CB 3.37Å; L617-M620 PolarHBondContact O-N 2.92Å; A618-M620 VanDerWaalsContact C-N 3.35Å; M620-M623 WeakPolarHBondContact O-CB 3.45Å; M620-M623 PolarHBondContact O-N 2.94Å; M620-M623 HydrophobicContact SD-SD 4.35Å; M620-G624 PolarHBondContact O-N 3.44Å
621	Y	94.7	Very high	90.5	Very high	6 Å²	6	27.2 Å²	27.2	2%	0.024	14%	0.144	C	C	.	.	H	α-helix	trans	-62.9	-48.6	173.2	-173.4	-80	0	0	0	110.4	Q278 G279 A282 L603 Q606 A607 A610 L617 A618 R619 M623 G624 V625	Q278-Y621 HydrophobicContact CB-CD2 4.18Å; Q278-Y621 HydrophobicContact CB-CE2 4.02Å; G279-Y621 WeakPolarHBondContact CA-O 3.34Å; A282-Y621 WeakPolarHBondContact CB-OH 3.24Å; L603-Y621 HydrophobicContact CD1-CE1 4.1Å; Q606-Y621 VanDerWaalsContact CD-OH 3.29Å; Q606-Y621 PolarHBondContact NE2-OH 3.41Å; Q606-Y621 VanDerWaalsContact NE2-OH 3.1Å; A607-Y621 HydrophobicContact CB-CD1 3.49Å; A607-Y621 VanDerWaalsContact CB-CD1 3.49Å; A607-Y621 HydrophobicContact CB-CE1 3.88Å; A607-Y621 HydrophobicContact CB-CG 3.96Å; A610-Y621 HydrophobicContact CB-CD2 4.33Å; A610-Y621 HydrophobicContact CB-CE2 4.11Å; L617-Y621 PolarHBondContact O-N 3.16Å; A618-Y621 WeakPolarHBondContact O-CB 3.36Å; A618-Y621 PolarHBondContact O-N 2.95Å; R619-Y621 VanDerWaalsContact C-N 3.35Å; Y621-M623 VanDerWaalsContact C-N 3.31Å; Y621-M623 PolarHBondContact O-N 3.25Å; Y621-G624 WeakPolarHBondContact O-CA 3.36Å; Y621-G624 PolarHBondContact O-N 3.26Å; Y621-V625 HydrophobicContact CD1-CG2 4.08Å; Y621-V625 HydrophobicContact CE1-CG2 3.89Å; Y621-V625 PolarHBondContact O-N 2.97Å; Y621-V625 VanDerWaalsContact O-N 3.11Å
622	A	92.2	Very high	90.2	Very high	3 Å²	3	27.6 Å²	27.6	3%	0.025	15%	0.146	C	C	.	.	H	α-helix	trans	-58.3	-41.6	174.7	0	0	0	0	0	112.4	I593 M595 A618 R619 G624 V625 D626 T649	I593-A622 HydrophobicContact CD1-CB 3.38Å; M595-A622 HydrophobicContact CE-CB 3.79Å; M595-A622 HydrophobicContact SD-CB 3.91Å; A618-A622 PolarHBondContact O-N 3.15Å; R619-A622 PolarHBondContact O-N 2.92Å; A622-G624 VanDerWaalsContact C-N 3.27Å; A622-G624 PolarHBondContact O-N 3.33Å; A622-V625 WeakPolarHBondContact O-CB 3.14Å; A622-V625 PolarHBondContact O-N 3.03Å; A622-V625 VanDerWaalsContact O-N 3.09Å; A622-D626 PolarHBondContact O-N 3.03Å; A622-T649 HydrophobicContact CB-CG2 3.7Å
623	M	93.1	Very high	89.9	Confident	5 Å²	5	21.8 Å²	21.8	3%	0.025	11%	0.114	C	C	.	.	H	α-helix	trans	-58.2	-39.6	174.4	-170	-179.1	-168.7	0	0	111.9	I276 L407 F422 L424 R619 M620 Y621 D626 A627	I276-M623 HydrophobicContact CD1-SD 4.2Å; L407-M623 HydrophobicContact CB-CE 3.85Å; L407-M623 HydrophobicContact CD2-CE 4.17Å; L407-M623 WeakPolarHBondContact O-CE 3.44Å; F422-M623 HydrophobicContact CD1-CE 4.01Å; F422-M623 HydrophobicContact CD1-CG 4.14Å; F422-M623 HydrophobicContact CE1-CB 4.43Å; F422-M623 HydrophobicContact CE1-CE 4.27Å; F422-M623 HydrophobicContact CE1-CG 3.53Å; F422-M623 HydrophobicContact CZ-CG 4.18Å; F422-M623 WeakPolarHBondContact O-CE 3.39Å; L424-M623 HydrophobicContact CD1-CB 4.1Å; L424-M623 HydrophobicContact CD1-CG 4.49Å; L424-M623 HydrophobicContact CD1-SD 4.3Å; L424-M623 HydrophobicContact CG-CG 4.48Å; L424-M623 HydrophobicContact CG-SD 4.21Å; R619-M623 WeakPolarHBondContact O-CB 3.25Å; R619-M623 PolarHBondContact O-N 3.22Å; M620-M623 WeakPolarHBondContact O-CB 3.45Å; M620-M623 PolarHBondContact O-N 2.94Å; M620-M623 HydrophobicContact SD-SD 4.35Å; Y621-M623 VanDerWaalsContact C-N 3.31Å; Y621-M623 PolarHBondContact O-N 3.25Å; M623-D626 PolarHBondContact O-N 3.16Å; M623-A627 WeakPolarHBondContact O-CB 3.28Å; M623-A627 PolarHBondContact O-N 3.49Å
624	G	93.8	Very high	89.8	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.7	-46.1	172.6	0	0	0	0	0	112.9	I276 F280 M620 Y621 A622 D626 A627 W628	I276-G624 WeakPolarHBondContact O-CA 3.34Å; F280-G624 VanDerWaalsContact CA-O 3.3Å; F280-G624 WeakPolarHBondContact CA-O 3.25Å; F280-G624 WeakPolarHBondContact CD2-O 3.35Å; M620-G624 PolarHBondContact O-N 3.44Å; Y621-G624 WeakPolarHBondContact O-CA 3.36Å; Y621-G624 PolarHBondContact O-N 3.26Å; A622-G624 VanDerWaalsContact C-N 3.27Å; A622-G624 PolarHBondContact O-N 3.33Å; G624-D626 VanDerWaalsContact C-N 3.34Å; G624-D626 PolarHBondContact O-N 3.48Å; G624-A627 PolarHBondContact O-N 3.01Å; G624-W628 PolarHBondContact O-N 2.92Å
625	V	91.7	Very high	89.3	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.3	-44.3	178.2	173.5	0	0	0	0	111.6	G279 A283 L603 Y621 A622 S629 P648 T649	G279-V625 VanDerWaalsContact O-CG2 3.25Å; G279-V625 WeakPolarHBondContact O-CG2 3.37Å; A283-V625 HydrophobicContact CB-CB 4.21Å; A283-V625 HydrophobicContact CB-CG1 3.95Å; A283-V625 HydrophobicContact CB-CG2 4.37Å; L603-V625 HydrophobicContact CD1-CG2 4.2Å; L603-V625 HydrophobicContact CD2-CG1 4.16Å; Y621-V625 HydrophobicContact CD1-CG2 4.08Å; Y621-V625 HydrophobicContact CE1-CG2 3.89Å; Y621-V625 PolarHBondContact O-N 2.97Å; Y621-V625 VanDerWaalsContact O-N 3.11Å; A622-V625 WeakPolarHBondContact O-CB 3.14Å; A622-V625 PolarHBondContact O-N 3.03Å; A622-V625 VanDerWaalsContact O-N 3.09Å; V625-S629 PolarHBondContact O-N 3.04Å; V625-S629 PolarHBondContact O-OG 3.28Å; V625-P648 HydrophobicContact CG1-CB 3.87Å; V625-P648 HydrophobicContact CG1-CG 4.03Å; V625-T649 HydrophobicContact CB-CG2 3.89Å; V625-T649 HydrophobicContact CG1-CG2 3.83Å
626	D	90.1	Very high	88.4	Confident	19 Å²	19	16.3 Å²	16.3	10%	0.102	9%	0.088	C	C	.	.	H	α-helix	trans	-69.6	-41.3	179	-71.1	-5.6	0	0	0	111.5	F422 A622 M623 G624 W628 S629 L630 V647 T649	F422-D626 HydrophobicContact CE1-CB 3.82Å; F422-D626 HydrophobicContact CZ-CB 3.58Å; A622-D626 PolarHBondContact O-N 3.03Å; M623-D626 PolarHBondContact O-N 3.16Å; G624-D626 VanDerWaalsContact C-N 3.34Å; G624-D626 PolarHBondContact O-N 3.48Å; D626-W628 VanDerWaalsContact C-N 3.26Å; D626-W628 PolarHBondContact O-N 3.26Å; D626-S629 CarbonylContact O-C 3.52Å; D626-S629 WeakPolarHBondContact O-CA 3.36Å; D626-S629 WeakPolarHBondContact O-CB 3.21Å; D626-S629 PolarHBondContact O-N 3.48Å; D626-L630 HydrophobicContact CB-CD1 4.47Å; D626-L630 WeakPolarHBondContact O-CB 3.47Å; D626-L630 VanDerWaalsContact O-CG 3.23Å; D626-L630 WeakPolarHBondContact O-CG 3.01Å; D626-L630 PolarHBondContact O-N 3.44Å; D626-V647 HydrophobicContact CB-CB 4.39Å; D626-V647 HydrophobicContact CB-CG1 4.33Å; D626-V647 VanDerWaalsContact OD1-CB 3.22Å; D626-V647 WeakPolarHBondContact OD1-CB 3.36Å; D626-V647 VanDerWaalsContact OD1-CG2 3.26Å; D626-V647 WeakPolarHBondContact OD1-CG2 3.37Å; D626-T649 VanDerWaalsContact OD1-CB 3.31Å; D626-T649 WeakPolarHBondContact OD1-CB 3.4Å; D626-T649 WeakPolarHBondContact OD1-CG2 3.42Å; D626-T649 PolarHBondContact OD1-OG1 3.01Å; D626-T649 PolarHBondContact OD2-OG1 2.91Å
627	A	92.5	Very high	87.9	Confident	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-59	-37	178.5	0	0	0	0	0	112.2	F280 V384 L405 L407 F422 M623 G624 A631	F280-A627 HydrophobicContact CD2-CB 3.97Å; F280-A627 HydrophobicContact CE2-CB 4.17Å; V384-A627 HydrophobicContact CG1-CB 3.95Å; L405-A627 HydrophobicContact CD2-CB 4.46Å; L407-A627 HydrophobicContact CD2-CB 3.71Å; F422-A627 HydrophobicContact CD1-CB 4.44Å; F422-A627 HydrophobicContact CE1-CB 4.44Å; M623-A627 WeakPolarHBondContact O-CB 3.28Å; M623-A627 PolarHBondContact O-N 3.49Å; G624-A627 PolarHBondContact O-N 3.01Å; A627-A631 WeakPolarHBondContact O-CB 3.37Å; A627-A631 PolarHBondContact O-N 2.95Å
628	W	90.5	Very high	87.1	Confident	9 Å²	9	18.1 Å²	18.1	3%	0.034	9%	0.087	C	C	.	.	H	α-helix	trans	-60.8	-47.2	171.9	169.1	-100	0	0	0	111.7	I259 F280 A283 K284 A352 A356 G624 D626 A631 N632	I259-W628 HydrophobicContact CD1-CE3 4.32Å; I259-W628 HydrophobicContact CD1-CH2 4.47Å; I259-W628 HydrophobicContact CD1-CZ3 3.83Å; F280-W628 HydrophobicContact CD1-CE3 4.16Å; F280-W628 HydrophobicContact CD2-CB 3.89Å; F280-W628 AromaticContact CE1-CE3 3.48Å; F280-W628 HydrophobicContact CE1-CE3 3.48Å; F280-W628 VanDerWaalsContact CE1-CE3 3.48Å; F280-W628 HydrophobicContact CE1-CZ3 4.08Å; F280-W628 VanDerWaalsContact CE2-CA 3.4Å; F280-W628 HydrophobicContact CE2-CB 3.88Å; F280-W628 HydrophobicContact CE2-CE3 4.39Å; F280-W628 VanDerWaalsContact CE2-N 3.33Å; F280-W628 HydrophobicContact CG-CB 4.28Å; F280-W628 HydrophobicContact CZ-CB 4.26Å; F280-W628 AromaticContact CZ-CE3 3.62Å; F280-W628 HydrophobicContact CZ-CE3 3.62Å; F280-W628 HydrophobicContact CZ-CZ3 4.39Å; A283-W628 HydrophobicContact CB-CB 3.82Å; A283-W628 HydrophobicContact CB-CG 3.86Å; K284-W628 HydrophobicContact CB-CD2 3.97Å; K284-W628 HydrophobicContact CB-CE3 3.9Å; K284-W628 HydrophobicContact CB-CH2 3.84Å; K284-W628 HydrophobicContact CB-CZ2 3.89Å; K284-W628 HydrophobicContact CB-CZ3 3.83Å; K284-W628 HydrophobicContact CD-CH2 3.92Å; K284-W628 HydrophobicContact CD-CZ3 3.88Å; K284-W628 HydrophobicContact CG-CE3 4.43Å; K284-W628 HydrophobicContact CG-CH2 3.53Å; K284-W628 HydrophobicContact CG-CZ2 3.86Å; K284-W628 HydrophobicContact CG-CZ3 3.84Å; A352-W628 HydrophobicContact CB-CZ2 4.43Å; A356-W628 HydrophobicContact CB-CH2 3.98Å; A356-W628 HydrophobicContact CB-CZ3 4.43Å; G624-W628 PolarHBondContact O-N 2.92Å; D626-W628 VanDerWaalsContact C-N 3.26Å; D626-W628 PolarHBondContact O-N 3.26Å; W628-A631 PolarHBondContact O-N 3.43Å; W628-N632 WeakPolarHBondContact CZ2-ND2 3.43Å; W628-N632 PolarHBondContact O-N 2.88Å; W628-N632 PolarHBondContact O-ND2 2.96Å
629	S	86.4	Confident	85.8	Confident	13 Å²	13	20 Å²	20	9%	0.091	10%	0.096	C	C	.	.	H	α-helix	trans	-65.3	-44.4	-179	-56.7	0	0	0	0	111.4	V625 D626 N632 H633 P648	V625-S629 PolarHBondContact O-N 3.04Å; V625-S629 PolarHBondContact O-OG 3.28Å; D626-S629 CarbonylContact O-C 3.52Å; D626-S629 WeakPolarHBondContact O-CA 3.36Å; D626-S629 WeakPolarHBondContact O-CB 3.21Å; D626-S629 PolarHBondContact O-N 3.48Å; S629-N632 PolarHBondContact O-N 3.07Å; S629-H633 PolarHBondContact O-N 2.99Å; S629-H633 PolarHBondContact O-ND1 3.18Å; S629-P648 WeakPolarHBondContact OG-CD 3.47Å
630	L	88	Confident	84.3	Confident	19 Å²	19	21.8 Å²	21.8	10%	0.099	11%	0.109	C	C	.	.	H	α-helix	trans	-64.2	-42.9	177.1	-68.2	171.1	0	0	0	111.5	L405 F422 D626 N632 H633 F634 M637 I645	L405-L630 HydrophobicContact CD2-CB 3.57Å; L405-L630 HydrophobicContact CD2-CD1 4.41Å; F422-L630 HydrophobicContact CB-CD1 4.21Å; F422-L630 HydrophobicContact CD1-CD1 3.63Å; F422-L630 HydrophobicContact CD2-CD1 3.68Å; F422-L630 HydrophobicContact CE1-CD1 3.81Å; F422-L630 HydrophobicContact CE2-CD1 3.88Å; F422-L630 HydrophobicContact CG-CD1 3.56Å; F422-L630 HydrophobicContact CZ-CD1 3.94Å; D626-L630 HydrophobicContact CB-CD1 4.47Å; D626-L630 WeakPolarHBondContact O-CB 3.47Å; D626-L630 VanDerWaalsContact O-CG 3.23Å; D626-L630 WeakPolarHBondContact O-CG 3.01Å; D626-L630 PolarHBondContact O-N 3.44Å; L630-N632 VanDerWaalsContact C-N 3.31Å; L630-N632 PolarHBondContact O-N 3.32Å; L630-H633 CarbonylContact O-C 3.5Å; L630-H633 PolarHBondContact O-N 2.83Å; L630-F634 PolarHBondContact O-N 3.37Å; L630-M637 HydrophobicContact CB-CE 3.92Å; L630-M637 HydrophobicContact CB-SD 4.38Å; L630-M637 HydrophobicContact CD2-CE 4Å; L630-M637 HydrophobicContact CD2-SD 3.31Å; L630-M637 WeakPolarHBondContact CD2-SD 3.49Å; L630-M637 HydrophobicContact CG-SD 4.43Å; L630-M637 WeakPolarHBondContact O-CE 3.18Å; L630-I645 HydrophobicContact CD2-CG2 3.86Å
631	A	88.5	Confident	82.6	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60	-41.8	177.4	0	0	0	0	0	111.9	I382 V384 L405 A627 W628 H633 F634	I382-A631 HydrophobicContact CD1-CB 3.97Å; I382-A631 WeakPolarHBondContact CD1-O 3.5Å; V384-A631 HydrophobicContact CG2-CB 3.58Å; L405-A631 HydrophobicContact CD2-CB 4.47Å; A627-A631 WeakPolarHBondContact O-CB 3.37Å; A627-A631 PolarHBondContact O-N 2.95Å; W628-A631 PolarHBondContact O-N 3.43Å; A631-H633 PolarHBondContact O-N 3.19Å; A631-F634 WeakPolarHBondContact O-CB 3.44Å; A631-F634 PolarHBondContact O-N 3.36Å
632	N	83.3	Confident	80.8	Confident	14 Å²	14	29.2 Å²	29.2	8%	0.075	16%	0.161	C	C	.	.	H	α-helix	trans	-67.3	-19.7	176.9	-79.7	-77.2	0	0	0	113.6	A352 N353 W628 S629 L630	A352-N632 HydrophobicContact CB-CB 4.08Å; N353-N632 PolarHBondContact N-OD1 3.46Å; W628-N632 WeakPolarHBondContact CZ2-ND2 3.43Å; W628-N632 PolarHBondContact O-N 2.88Å; W628-N632 PolarHBondContact O-ND2 2.96Å; S629-N632 PolarHBondContact O-N 3.07Å; L630-N632 VanDerWaalsContact C-N 3.31Å; L630-N632 PolarHBondContact O-N 3.32Å
633	H	81.2	Confident	79.5	Confident	20 Å²	20	32 Å²	32	9%	0.093	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	17.3	179.5	-62.1	85.6	0	0	0	113.2	S629 L630 A631 S635 Q636 M637 F643 I645	S629-H633 PolarHBondContact O-N 2.99Å; S629-H633 PolarHBondContact O-ND1 3.18Å; L630-H633 CarbonylContact O-C 3.5Å; L630-H633 PolarHBondContact O-N 2.83Å; A631-H633 PolarHBondContact O-N 3.19Å; H633-S635 VanDerWaalsContact C-N 3.29Å; H633-S635 PolarHBondContact O-N 3.48Å; H633-Q636 VanDerWaalsContact C-OE1 3.3Å; H633-Q636 VanDerWaalsContact CA-OE1 3.26Å; H633-Q636 PolarHBondContact O-N 3.49Å; H633-Q636 VanDerWaalsContact O-N 3.16Å; H633-Q636 PolarHBondContact O-OE1 3.41Å; H633-M637 WeakPolarHBondContact O-CG 3.47Å; H633-M637 PolarHBondContact O-N 3.07Å; H633-F643 HydrophobicContact CB-CE1 3.92Å; H633-F643 HydrophobicContact CB-CZ 4.08Å; H633-F643 AromaticContact CD2-CZ 3.85Å; H633-I645 HydrophobicContact CB-CD1 4.07Å; H633-I645 VanDerWaalsContact ND1-CD1 3.28Å; H633-I645 WeakPolarHBondContact ND1-CD1 3.13Å
634	F	83.2	Confident	78.2	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.009	20%	0.204	C	C	.	.	H	α-helix	trans	-55.5	-44.9	-174.6	-173.6	-86.3	0	0	0	112.2	I382 N403 V404 L405 C420 L630 A631 R638	I382-F634 HydrophobicContact CD1-CB 3.56Å; I382-F634 HydrophobicContact CD1-CD2 4.1Å; I382-F634 HydrophobicContact CD1-CG 3.87Å; N403-F634 HydrophobicContact CB-CD1 3.89Å; N403-F634 HydrophobicContact CB-CE1 3.52Å; N403-F634 HydrophobicContact CB-CZ 3.97Å; N403-F634 WeakPolarHBondContact OD1-CE1 3.27Å; V404-F634 WeakPolarHBondContact O-CE2 3.37Å; L405-F634 HydrophobicContact CB-CD2 4.33Å; L405-F634 HydrophobicContact CB-CE2 4.42Å; C420-F634 HydrophobicContact CB-CE2 3.92Å; L630-F634 PolarHBondContact O-N 3.37Å; A631-F634 WeakPolarHBondContact O-CB 3.44Å; A631-F634 PolarHBondContact O-N 3.36Å; F634-R638 HydrophobicContact CD1-CG 4.32Å; F634-R638 HydrophobicContact CE1-CG 3.98Å; F634-R638 HydrophobicContact CZ-CG 4.35Å; F634-R638 WeakPolarHBondContact O-CG 3.23Å; F634-R638 PolarHBondContact O-N 2.94Å
635	S	76.4	Confident	77	Confident	19 Å²	19	39.9 Å²	39.9	13%	0.133	21%	0.21	C	C	.	.	H	α-helix	trans	-61	-48.1	178.7	-57.9	0	0	0	0	111.6	F251 H633 R638 Q639	F251-S635 WeakPolarHBondContact CZ-OG 3.18Å; H633-S635 VanDerWaalsContact C-N 3.29Å; H633-S635 PolarHBondContact O-N 3.48Å; S635-R638 PolarHBondContact O-N 3.31Å; S635-Q639 WeakPolarHBondContact O-CB 3.37Å; S635-Q639 VanDerWaalsContact O-CG 3.22Å; S635-Q639 WeakPolarHBondContact O-CG 3.4Å; S635-Q639 PolarHBondContact O-N 2.91Å; S635-Q639 VanDerWaalsContact O-N 3.07Å
636	Q	71.6	Confident	75.5	Confident	68 Å²	68	44.1 Å²	44.1	32%	0.318	23%	0.233	S	C	.	.	H	α-helix	trans	-65.9	-43.1	-178.6	-63.4	86.4	-23.7	0	0	111.3	H633 R638 Q639 V640 F643	H633-Q636 VanDerWaalsContact C-OE1 3.3Å; H633-Q636 VanDerWaalsContact CA-OE1 3.26Å; H633-Q636 PolarHBondContact O-N 3.49Å; H633-Q636 VanDerWaalsContact O-N 3.16Å; H633-Q636 PolarHBondContact O-OE1 3.41Å; Q636-R638 PolarHBondContact O-N 3.47Å; Q636-Q639 PolarHBondContact O-N 2.77Å; Q636-V640 WeakPolarHBondContact O-CB 3.24Å; Q636-V640 PolarHBondContact O-N 3.08Å; Q636-F643 HydrophobicContact CB-CD2 3.97Å; Q636-F643 HydrophobicContact CB-CE1 4.27Å; Q636-F643 HydrophobicContact CB-CE2 3.61Å; Q636-F643 HydrophobicContact CB-CG 4.46Å; Q636-F643 HydrophobicContact CB-CZ 3.76Å; Q636-F643 HydrophobicContact CG-CE2 4.33Å
637	M	77.4	Confident	74.2	Confident	49 Å²	49	43.7 Å²	43.7	24%	0.241	23%	0.231	C	C	.	.	H	α-helix	trans	-58.9	-33.6	175.9	-75.6	-169.6	-58.3	0	0	113.1	L630 H633 F643	L630-M637 HydrophobicContact CB-CE 3.92Å; L630-M637 HydrophobicContact CB-SD 4.38Å; L630-M637 HydrophobicContact CD2-CE 4Å; L630-M637 HydrophobicContact CD2-SD 3.31Å; L630-M637 WeakPolarHBondContact CD2-SD 3.49Å; L630-M637 HydrophobicContact CG-SD 4.43Å; L630-M637 WeakPolarHBondContact O-CE 3.18Å; H633-M637 WeakPolarHBondContact O-CG 3.47Å; H633-M637 PolarHBondContact O-N 3.07Å; M637-F643 HydrophobicContact CB-CD1 4.32Å; M637-F643 HydrophobicContact CG-CD1 3.48Å; M637-F643 VanDerWaalsContact CG-CD1 3.48Å; M637-F643 HydrophobicContact CG-CE1 3.78Å; M637-F643 HydrophobicContact CG-CG 4.48Å
638	R	73.8	Confident	72.5	Confident	71 Å²	71	45.8 Å²	45.8	27%	0.268	25%	0.245	S	C	.	.	H	α-helix	trans	-81.5	-29.2	178.2	-68.8	-64	-59.8	167.1	0.8	113.2	R416 V417 C420 F634 S635 Q636	R416-R638 PolarHBondContact O-NH2 3.35Å; V417-R638 VanDerWaalsContact CA-NH2 3.34Å; V417-R638 PolarHBondContact O-NE 2.89Å; V417-R638 PolarHBondContact O-NH2 3.49Å; C420-R638 WeakPolarHBondContact SG-CD 3.43Å; F634-R638 HydrophobicContact CD1-CG 4.32Å; F634-R638 HydrophobicContact CE1-CG 3.98Å; F634-R638 HydrophobicContact CZ-CG 4.35Å; F634-R638 WeakPolarHBondContact O-CG 3.23Å; F634-R638 PolarHBondContact O-N 2.94Å; S635-R638 PolarHBondContact O-N 3.31Å; Q636-R638 PolarHBondContact O-N 3.47Å
639	Q	65.6	Low	70.9	Confident	40 Å²	40	45.5 Å²	45.5	19%	0.187	24%	0.244	C	C	.	.	H	α-helix	trans	-93	-37.8	-173	-71.9	174.6	-3.7	0	0	113.3	F251 S635 Q636	F251-Q639 VanDerWaalsContact CD1-NE2 3.26Å; S635-Q639 WeakPolarHBondContact O-CB 3.37Å; S635-Q639 VanDerWaalsContact O-CG 3.22Å; S635-Q639 WeakPolarHBondContact O-CG 3.4Å; S635-Q639 PolarHBondContact O-N 2.91Å; S635-Q639 VanDerWaalsContact O-N 3.07Å; Q636-Q639 PolarHBondContact O-N 2.77Å
640	V	61.9	Low	69.4	Low	60 Å²	60	51.8 Å²	51.8	36%	0.364	27%	0.266	S	S	.	.	S	Bend	trans	-99.7	107.1	-173.1	179.3	0	0	0	0	108.5	Q636 G642 F643	Q636-V640 WeakPolarHBondContact O-CB 3.24Å; Q636-V640 PolarHBondContact O-N 3.08Å; V640-G642 PolarHBondContact O-N 2.86Å; V640-F643 HydrophobicContact CB-CB 3.98Å; V640-F643 HydrophobicContact CB-CD2 4.17Å; V640-F643 HydrophobicContact CG1-CB 4.14Å; V640-F643 HydrophobicContact CG1-CD2 4.33Å; V640-F643 VanDerWaalsContact O-CB 3.26Å; V640-F643 WeakPolarHBondContact O-CB 3.48Å; V640-F643 PolarHBondContact O-N 2.88Å
641	Q	58.5	Low	67	Low	134 Å²	134	54 Å²	54	63%	0.626	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	131.3	172.1	-171.8	177.1	21	0	0	109.6	F643	Q641-F643 VanDerWaalsContact C-N 3.27Å; Q641-F643 PolarHBondContact O-N 3.3Å
642	G	58.3	Low	64.2	Low	68 Å²	68	56.6 Å²	56.6	70%	0.701	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	20.1	-175.5	0	0	0	0	0	113.6	V640 E644	V640-G642 PolarHBondContact O-N 2.86Å; G642-E644 PolarHBondContact O-N 3.18Å; G642-E644 VanDerWaalsContact O-N 3.1Å
643	F	63.7	Low	61.6	Low	63 Å²	63	59.6 Å²	59.6	28%	0.276	33%	0.332	S	S	.	.			trans	-58.8	115.9	171.3	-173.9	-98.6	0	0	0	110.2	H633 Q636 M637 V640 Q641 I645	H633-F643 HydrophobicContact CB-CE1 3.92Å; H633-F643 HydrophobicContact CB-CZ 4.08Å; H633-F643 AromaticContact CD2-CZ 3.85Å; Q636-F643 HydrophobicContact CB-CD2 3.97Å; Q636-F643 HydrophobicContact CB-CE1 4.27Å; Q636-F643 HydrophobicContact CB-CE2 3.61Å; Q636-F643 HydrophobicContact CB-CG 4.46Å; Q636-F643 HydrophobicContact CB-CZ 3.76Å; Q636-F643 HydrophobicContact CG-CE2 4.33Å; M637-F643 HydrophobicContact CB-CD1 4.32Å; M637-F643 HydrophobicContact CG-CD1 3.48Å; M637-F643 VanDerWaalsContact CG-CD1 3.48Å; M637-F643 HydrophobicContact CG-CE1 3.78Å; M637-F643 HydrophobicContact CG-CG 4.48Å; V640-F643 HydrophobicContact CB-CB 3.98Å; V640-F643 HydrophobicContact CB-CD2 4.17Å; V640-F643 HydrophobicContact CG1-CB 4.14Å; V640-F643 HydrophobicContact CG1-CD2 4.33Å; V640-F643 VanDerWaalsContact O-CB 3.26Å; V640-F643 WeakPolarHBondContact O-CB 3.48Å; V640-F643 PolarHBondContact O-N 2.88Å; Q641-F643 VanDerWaalsContact C-N 3.27Å; Q641-F643 PolarHBondContact O-N 3.3Å; F643-I645 HydrophobicContact CE1-CB 3.92Å
644	E	67	Low	59.3	Low	142 Å²	142	62.3 Å²	62.3	66%	0.664	35%	0.351	S	S	*	.			trans	-104.3	132.9	172.3	-66	-172.6	169.7	0	0	109	G642	G642-E644 PolarHBondContact O-N 3.18Å; G642-E644 VanDerWaalsContact O-N 3.1Å
645	I	66.6	Low	57	Low	27 Å²	27	72.8 Å²	72.8	14%	0.138	39%	0.391	C	S	.	.			trans	-113.4	128.7	172.5	-177.5	168.3	0	0	0	109.2	L630 H633 F643 V647	L630-I645 HydrophobicContact CD2-CG2 3.86Å; H633-I645 HydrophobicContact CB-CD1 4.07Å; H633-I645 VanDerWaalsContact ND1-CD1 3.28Å; H633-I645 WeakPolarHBondContact ND1-CD1 3.13Å; F643-I645 HydrophobicContact CE1-CB 3.92Å; I645-V647 VanDerWaalsContact C-N 3.3Å; I645-V647 HydrophobicContact CD1-CG1 4.2Å; I645-V647 HydrophobicContact CG1-CG1 4.05Å; I645-V647 HydrophobicContact CG2-CG1 3.85Å; I645-V647 PolarHBondContact O-N 2.92Å
646	N	61.2	Low	55	Low	90 Å²	90	80.5 Å²	80.5	48%	0.481	42%	0.424	S	S	.	.			trans	-76.9	89.7	162.9	-75.7	-19.7	0	0	0	107.7	P654	N646-P654 WeakPolarHBondContact ND2-CD 3.45Å; N646-P654 WeakPolarHBondContact OD1-CD 3.43Å
647	V	62.1	Low	53.5	Low	10 Å²	10	81.4 Å²	81.4	6%	0.061	43%	0.431	C	S	.	.			trans	-69.7	147.4	169.7	-66.3	0	0	0	0	109.6	D626 I645 T649 R650 S651	D626-V647 HydrophobicContact CB-CB 4.39Å; D626-V647 HydrophobicContact CB-CG1 4.33Å; D626-V647 VanDerWaalsContact OD1-CB 3.22Å; D626-V647 WeakPolarHBondContact OD1-CB 3.36Å; D626-V647 VanDerWaalsContact OD1-CG2 3.26Å; D626-V647 WeakPolarHBondContact OD1-CG2 3.37Å; I645-V647 VanDerWaalsContact C-N 3.3Å; I645-V647 HydrophobicContact CD1-CG1 4.2Å; I645-V647 HydrophobicContact CG1-CG1 4.05Å; I645-V647 HydrophobicContact CG2-CG1 3.85Å; I645-V647 PolarHBondContact O-N 2.92Å; V647-T649 WeakPolarHBondContact CG2-OG1 3.37Å; V647-T649 PolarHBondContact O-N 3.34Å; V647-T649 VanDerWaalsContact O-N 3.09Å; V647-R650 HydrophobicContact CG2-CB 3.43Å; V647-R650 VanDerWaalsContact CG2-CB 3.43Å; V647-R650 CarbonylContact O-C 3.2Å; V647-R650 WeakPolarHBondContact O-CA 3.13Å; V647-R650 WeakPolarHBondContact O-CB 3.37Å; V647-R650 PolarHBondContact O-N 3.42Å; V647-S651 PolarHBondContact O-N 3.29Å
648	P	57.5	Low	52.2	Low	43 Å²	43	82.9 Å²	82.9	28%	0.279	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-56	-29.5	-177	-26.5	34.1	0	0	0	114	N600 L603 V625 S629 R650	N600-P648 PolarHBondContact ND2-O 3.37Å; L603-P648 HydrophobicContact CD2-CB 4.38Å; V625-P648 HydrophobicContact CG1-CB 3.87Å; V625-P648 HydrophobicContact CG1-CG 4.03Å; S629-P648 WeakPolarHBondContact OG-CD 3.47Å; P648-R650 VanDerWaalsContact C-N 3.27Å; P648-R650 PolarHBondContact O-N 3.19Å
649	T	57	Low	51.2	Low	4 Å²	4	84.6 Å²	84.6	3%	0.025	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-73.5	-19.9	175.3	69.6	0	0	0	0	112.9	P594 M595 L603 A622 V625 D626 V647	P594-T649 CarbonylContact C-O 3.57Å; P594-T649 WeakPolarHBondContact CB-O 3.44Å; M595-T649 PolarHBondContact N-O 3.45Å; M595-T649 HydrophobicContact SD-CG2 4.45Å; L603-T649 HydrophobicContact CD2-CG2 3.99Å; A622-T649 HydrophobicContact CB-CG2 3.7Å; V625-T649 HydrophobicContact CB-CG2 3.89Å; V625-T649 HydrophobicContact CG1-CG2 3.83Å; D626-T649 VanDerWaalsContact OD1-CB 3.31Å; D626-T649 WeakPolarHBondContact OD1-CB 3.4Å; D626-T649 WeakPolarHBondContact OD1-CG2 3.42Å; D626-T649 PolarHBondContact OD1-OG1 3.01Å; D626-T649 PolarHBondContact OD2-OG1 2.91Å; V647-T649 WeakPolarHBondContact CG2-OG1 3.37Å; V647-T649 PolarHBondContact O-N 3.34Å; V647-T649 VanDerWaalsContact O-N 3.09Å
650	R	55.2	Low	50.9	Low	144 Å²	144	88 Å²	88	54%	0.543	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-103.7	-0.4	179.2	-165.1	174	-173.7	-175.6	1.4	112.6	P594 V647 P648 G652	P594-R650 HydrophobicContact CG-CG 4.3Å; V647-R650 HydrophobicContact CG2-CB 3.43Å; V647-R650 VanDerWaalsContact CG2-CB 3.43Å; V647-R650 CarbonylContact O-C 3.2Å; V647-R650 WeakPolarHBondContact O-CA 3.13Å; V647-R650 WeakPolarHBondContact O-CB 3.37Å; V647-R650 PolarHBondContact O-N 3.42Å; P648-R650 VanDerWaalsContact C-N 3.27Å; P648-R650 PolarHBondContact O-N 3.19Å; R650-G652 PolarHBondContact O-N 3.28Å
651	S	37.8	Very low	50.8	Low	66 Å²	66	87.1 Å²	87.1	46%	0.462	47%	0.467	S	S	.	.			trans	-61.2	74.6	-175	176.7	0	0	0	0	114	G599 V647	G599-S651 VanDerWaalsContact O-O 3.13Å; V647-S651 PolarHBondContact O-N 3.29Å
652	G	28.8	Very low	50.8	Low	54 Å²	54	83.2 Å²	83.2	56%	0.557	45%	0.453	S	S	*	.	S	Bend	trans	-130.7	120.2	148.5	0	0	0	0	0	105.8	R650	R650-G652 PolarHBondContact O-N 3.28Å
653	S	29.7	Very low	50.9	Low	78 Å²	78	80.3 Å²	80.3	55%	0.545	42%	0.423	S	S	.	.			trans	-44.4	141.7	-167.5	-51.4	0	0	0	0	115.6	R655	S653-R655 PolarHBondContact O-N 2.81Å
654	P	31.7	Very low	51	Low	76 Å²	76	80.8 Å²	80.8	49%	0.494	43%	0.428	S	S	.	.	S	Bend	trans	-63	135.4	163.1	26.4	-29.7	0	0	0	109.1	N646 Q656	N646-P654 WeakPolarHBondContact ND2-CD 3.45Å; N646-P654 WeakPolarHBondContact OD1-CD 3.43Å; P654-Q656 PolarHBondContact O-N 2.89Å
655	R	35.4	Very low	50.8	Low	223 Å²	223	76.2 Å²	76.2	84%	0.842	41%	0.414	S	S	*	.	S	Bend	trans	-63.3	109.1	-159.6	-70.3	170.1	172.1	162	-3.2	115	S653	S653-R655 PolarHBondContact O-N 2.81Å
656	Q	34.7	Very low	50.7	Low	180 Å²	180	81.8 Å²	81.8	84%	0.841	43%	0.434	S	S	*	.				-109.9	120.9	114.3	-87.1	-171	3.8	0	0	105.2	P654 T658 Q661	P654-Q656 PolarHBondContact O-N 2.89Å; Q656-T658 PolarHBondContact O-N 2.82Å; Q656-Q661 PolarHBondContact O-OE1 2.85Å
657	L	39.7	Very low	51	Low	88 Å²	88	79 Å²	79	46%	0.461	42%	0.418	S	S	.	.			trans	-61.5	105.3	177.7	-64.8	167.6	0	0	0	107.4	Q661 T662	L657-Q661 HydrophobicContact CB-CB 3.86Å; L657-Q661 HydrophobicContact CD2-CB 3.57Å; L657-Q661 HydrophobicContact CG-CB 4.31Å; L657-T662 WeakPolarHBondContact CB-OG1 3.31Å; L657-T662 PolarHBondContact O-OG1 3.48Å
658	T	50.9	Low	51.5	Low	79 Å²	79	80.4 Å²	80.4	49%	0.485	43%	0.431	S	S	.	.			trans	-50.6	160	165.2	57.1	0	0	0	0	109.6	Q656 K660 Q661 T662	Q656-T658 PolarHBondContact O-N 2.82Å; T658-K660 CarbonylContact O-C 3.58Å; T658-K660 PolarHBondContact O-N 3.39Å; T658-Q661 CarbonylContact O-C 3.57Å; T658-Q661 WeakPolarHBondContact O-CA 3.45Å; T658-Q661 PolarHBondContact O-N 2.94Å; T658-Q661 VanDerWaalsContact OG1-CG 3.28Å; T658-Q661 WeakPolarHBondContact OG1-CG 3.45Å; T658-Q661 PolarHBondContact OG1-N 3.18Å; T658-Q661 VanDerWaalsContact OG1-N 3.11Å; T658-Q661 PolarHBondContact OG1-OE1 3.18Å; T658-T662 PolarHBondContact O-N 3.26Å; T658-T662 PolarHBondContact O-OG1 2.85Å
659	T	51.7	Low	52.3	Low	107 Å²	107	83.9 Å²	83.9	66%	0.656	44%	0.443	S	S	*	.	H	α-helix	trans	-49.9	-36.6	175.5	-41.4	0	0	0	0	111.4	G663	T659-G663 PolarHBondContact O-N 3.25Å
660	K	60	Low	52.8	Low	111 Å²	111	84.7 Å²	84.7	48%	0.483	45%	0.45	S	S	.	.	H	α-helix	trans	-62.6	-54.1	170.3	-174.4	175.9	-179	177.6	0	112.7	T658 T662 G663 D664	T658-K660 CarbonylContact O-C 3.58Å; T658-K660 PolarHBondContact O-N 3.39Å; K660-T662 PolarHBondContact O-N 3.16Å; K660-G663 CarbonylContact O-C 3.56Å; K660-G663 WeakPolarHBondContact O-CA 3.21Å; K660-G663 PolarHBondContact O-N 3.15Å; K660-D664 PolarHBondContact O-N 3.11Å
661	Q	59.1	Low	54	Low	42 Å²	42	82.1 Å²	82.1	20%	0.196	44%	0.441	C	S	.	.	H	α-helix	trans	-63.7	-27.3	178.9	-70.8	170.1	-46.4	0	0	113.5	Q656 L657 T658 A665	Q656-Q661 PolarHBondContact O-OE1 2.85Å; L657-Q661 HydrophobicContact CB-CB 3.86Å; L657-Q661 HydrophobicContact CD2-CB 3.57Å; L657-Q661 HydrophobicContact CG-CB 4.31Å; T658-Q661 CarbonylContact O-C 3.57Å; T658-Q661 WeakPolarHBondContact O-CA 3.45Å; T658-Q661 PolarHBondContact O-N 2.94Å; T658-Q661 VanDerWaalsContact OG1-CG 3.28Å; T658-Q661 WeakPolarHBondContact OG1-CG 3.45Å; T658-Q661 PolarHBondContact OG1-N 3.18Å; T658-Q661 VanDerWaalsContact OG1-N 3.11Å; T658-Q661 PolarHBondContact OG1-OE1 3.18Å; Q661-A665 WeakPolarHBondContact O-CB 3.5Å; Q661-A665 PolarHBondContact O-N 3.17Å
662	T	59.1	Low	56	Low	53 Å²	53	87.9 Å²	87.9	33%	0.325	45%	0.452	S	S	.	.	H	α-helix	trans	-69.5	-45.7	170.3	-57.1	0	0	0	0	109.8	L657 T658 K660 A665 W666	L657-T662 WeakPolarHBondContact CB-OG1 3.31Å; L657-T662 PolarHBondContact O-OG1 3.48Å; T658-T662 PolarHBondContact O-N 3.26Å; T658-T662 PolarHBondContact O-OG1 2.85Å; K660-T662 PolarHBondContact O-N 3.16Å; T662-A665 WeakPolarHBondContact O-CB 3.46Å; T662-A665 PolarHBondContact O-N 3.32Å; T662-W666 PolarHBondContact O-N 2.81Å
663	G	60.7	Low	58.2	Low	6 Å²	6	93 Å²	93	6%	0.062	46%	0.455	C	S	.	.	H	α-helix	trans	-55.6	-50	170.2	0	0	0	0	0	112.5	T659 K660 A665 W666 E667	T659-G663 PolarHBondContact O-N 3.25Å; K660-G663 CarbonylContact O-C 3.56Å; K660-G663 WeakPolarHBondContact O-CA 3.21Å; K660-G663 PolarHBondContact O-N 3.15Å; G663-A665 VanDerWaalsContact C-N 3.26Å; G663-A665 PolarHBondContact O-N 3.23Å; G663-W666 CarbonylContact O-C 3.53Å; G663-W666 PolarHBondContact O-N 3.27Å; G663-W666 VanDerWaalsContact O-N 3.07Å; G663-E667 PolarHBondContact O-N 3.31Å
664	D	64.5	Low	60.2	Low	74 Å²	74	91.2 Å²	91.2	40%	0.396	44%	0.439	S	S	.	.	H	α-helix	trans	-58.6	-37.1	177.2	-59.6	-20.7	0	0	0	111.4	K660 A668	K660-D664 PolarHBondContact O-N 3.11Å; D664-A668 VanDerWaalsContact O-CB 3.25Å; D664-A668 WeakPolarHBondContact O-CB 3.48Å; D664-A668 PolarHBondContact O-N 3.27Å
665	A	63.6	Low	62.4	Low	45 Å²	45	91.3 Å²	91.3	37%	0.372	43%	0.433	S	S	.	.	H	α-helix	trans	-69	-40.9	175.9	0	0	0	0	0	112.2	Q661 T662 G663 A668 Q669	Q661-A665 WeakPolarHBondContact O-CB 3.5Å; Q661-A665 PolarHBondContact O-N 3.17Å; T662-A665 WeakPolarHBondContact O-CB 3.46Å; T662-A665 PolarHBondContact O-N 3.32Å; G663-A665 VanDerWaalsContact C-N 3.26Å; G663-A665 PolarHBondContact O-N 3.23Å; A665-A668 PolarHBondContact O-N 3.04Å; A665-Q669 WeakPolarHBondContact O-CB 3.45Å; A665-Q669 PolarHBondContact O-N 2.85Å
666	W	64.3	Low	64.3	Low	145 Å²	145	84 Å²	84	55%	0.549	43%	0.427	S	S	.	.	H	α-helix	trans	-67.9	-40.8	173.8	-73.7	114.6	0	0	0	112.2	T662 G663 Q669 A670	T662-W666 PolarHBondContact O-N 2.81Å; G663-W666 CarbonylContact O-C 3.53Å; G663-W666 PolarHBondContact O-N 3.27Å; G663-W666 VanDerWaalsContact O-N 3.07Å; W666-Q669 PolarHBondContact O-N 2.79Å; W666-A670 WeakPolarHBondContact O-CB 3.45Å; W666-A670 PolarHBondContact O-N 3.28Å
667	E	68	Low	66.1	Low	32 Å²	32	82.1 Å²	82.1	15%	0.15	42%	0.416	C	S	.	.	H	α-helix	trans	-61.8	-43.4	171.8	-79.1	-161.5	145.6	0	0	111.2	G663 Q669 A670 R671 I693 D694 L695	G663-E667 PolarHBondContact O-N 3.31Å; E667-Q669 VanDerWaalsContact C-N 3.28Å; E667-Q669 PolarHBondContact O-N 3.39Å; E667-A670 PolarHBondContact O-N 3.46Å; E667-R671 WeakPolarHBondContact O-CB 3.41Å; E667-R671 PolarHBondContact O-N 3.31Å; E667-I693 HydrophobicContact CG-CG1 4.44Å; E667-D694 PolarHBondContact OE1-N 3.06Å; E667-L695 HydrophobicContact CB-CD2 4.3Å
668	A	71.4	Confident	67.4	Low	39 Å²	39	80.8 Å²	80.8	32%	0.322	42%	0.423	S	S	.	.	H	α-helix	trans	-61.7	-37.8	174.9	0	0	0	0	0	111.8	D664 A665 R672	D664-A668 VanDerWaalsContact O-CB 3.25Å; D664-A668 WeakPolarHBondContact O-CB 3.48Å; D664-A668 PolarHBondContact O-N 3.27Å; A665-A668 PolarHBondContact O-N 3.04Å; A668-R672 WeakPolarHBondContact O-CB 3.48Å; A668-R672 VanDerWaalsContact O-CG 3.25Å; A668-R672 WeakPolarHBondContact O-CG 3.2Å; A668-R672 PolarHBondContact O-N 3.07Å
669	Q	74.3	Confident	68.2	Low	115 Å²	115	79.3 Å²	79.3	54%	0.537	41%	0.412	S	S	.	.	H	α-helix	trans	-69.9	-45.1	175.5	-174.7	172	-11.6	0	0	112.2	A665 W666 E667 R672 W673	A665-Q669 WeakPolarHBondContact O-CB 3.45Å; A665-Q669 PolarHBondContact O-N 2.85Å; W666-Q669 PolarHBondContact O-N 2.79Å; E667-Q669 VanDerWaalsContact C-N 3.28Å; E667-Q669 PolarHBondContact O-N 3.39Å; Q669-R672 PolarHBondContact O-N 3.26Å; Q669-W673 WeakPolarHBondContact O-CB 3.45Å; Q669-W673 PolarHBondContact O-N 3.49Å
670	A	69.4	Low	69	Low	22 Å²	22	79.1 Å²	79.1	18%	0.182	40%	0.399	C	S	.	.	H	α-helix	trans	-62.8	-44.2	176.1	0	0	0	0	0	111	W666 E667 W673 L674 I693 L695	W666-A670 WeakPolarHBondContact O-CB 3.45Å; W666-A670 PolarHBondContact O-N 3.28Å; E667-A670 PolarHBondContact O-N 3.46Å; A670-W673 WeakPolarHBondContact O-CB 3.49Å; A670-W673 PolarHBondContact O-N 2.95Å; A670-L674 WeakPolarHBondContact O-CB 3.42Å; A670-L674 VanDerWaalsContact O-CG 3.23Å; A670-L674 WeakPolarHBondContact O-CG 3.31Å; A670-L674 PolarHBondContact O-N 3.43Å; A670-I693 HydrophobicContact CB-CG2 4.22Å; A670-L695 HydrophobicContact CB-CD1 3.75Å
671	R	78.7	Confident	69.6	Low	90 Å²	90	76.3 Å²	76.3	34%	0.34	39%	0.387	S	S	.	.	H	α-helix	trans	-58.4	-49.3	174.3	178.6	177.4	169.8	175.9	0.1	111.4	E667 W673 L674 E675 F681 L695 M697	E667-R671 WeakPolarHBondContact O-CB 3.41Å; E667-R671 PolarHBondContact O-N 3.31Å; R671-W673 VanDerWaalsContact C-N 3.28Å; R671-W673 PolarHBondContact O-N 3.3Å; R671-L674 PolarHBondContact O-N 3.24Å; R671-E675 HydrophobicContact CG-CG 4.23Å; R671-E675 IonicContact CZ-OE1 3.95Å; R671-E675 IonicContact NE-OE1 3.86Å; R671-E675 PolarHBondContact NE-OE1 3.45Å; R671-E675 IonicContact NE-OE2 3.84Å; R671-E675 IonicContact NH2-OE1 3.81Å; R671-E675 PolarHBondContact NH2-OE1 3.21Å; R671-E675 VanDerWaalsContact NH2-OE1 3.13Å; R671-E675 VanDerWaalsContact O-CB 3.32Å; R671-E675 WeakPolarHBondContact O-CB 3.44Å; R671-E675 VanDerWaalsContact O-CG 3.31Å; R671-E675 WeakPolarHBondContact O-CG 3.16Å; R671-E675 PolarHBondContact O-N 2.88Å; R671-F681 HydrophobicContact CG-CB 4.33Å; R671-F681 HydrophobicContact CG-CD2 4.3Å; R671-F681 VanDerWaalsContact CZ-CG 3.43Å; R671-F681 VanDerWaalsContact NH1-CD1 3.33Å; R671-L695 HydrophobicContact CB-CD1 3.86Å; R671-L695 HydrophobicContact CB-CD2 4.26Å; R671-M697 HydrophobicContact CG-CE 4.5Å
672	R	79.6	Confident	70	Confident	187 Å²	187	78.8 Å²	78.8	71%	0.706	40%	0.4	S	S	*	.	H	α-helix	trans	-59.6	-39.9	176.1	-76.9	174.3	-169.9	166.7	4.1	112.1	A668 Q669 G676	A668-R672 WeakPolarHBondContact O-CB 3.48Å; A668-R672 VanDerWaalsContact O-CG 3.25Å; A668-R672 WeakPolarHBondContact O-CG 3.2Å; A668-R672 PolarHBondContact O-N 3.07Å; Q669-R672 PolarHBondContact O-N 3.26Å; R672-G676 PolarHBondContact O-N 3.06Å
673	W	75.4	Confident	70.2	Confident	162 Å²	162	78 Å²	78	61%	0.614	40%	0.4	S	S	*	.	H	α-helix	trans	-65.3	-45.7	176.8	-176.1	90	0	0	0	111.5	Q669 A670 R671 G676 K677	Q669-W673 WeakPolarHBondContact O-CB 3.45Å; Q669-W673 PolarHBondContact O-N 3.49Å; A670-W673 WeakPolarHBondContact O-CB 3.49Å; A670-W673 PolarHBondContact O-N 2.95Å; R671-W673 VanDerWaalsContact C-N 3.28Å; R671-W673 PolarHBondContact O-N 3.3Å; W673-G676 CarbonylContact O-C 3.46Å; W673-G676 WeakPolarHBondContact O-CA 3.49Å; W673-G676 PolarHBondContact O-N 3.21Å; W673-K677 HydrophobicContact CD2-CG 4.39Å; W673-K677 HydrophobicContact CE3-CG 4.26Å; W673-K677 HydrophobicContact CH2-CG 4.25Å; W673-K677 VanDerWaalsContact CZ2-CE 3.45Å; W673-K677 HydrophobicContact CZ2-CG 4.38Å; W673-K677 HydrophobicContact CZ3-CG 4.19Å; W673-K677 WeakPolarHBondContact O-CG 3.37Å; W673-K677 PolarHBondContact O-N 3.3Å; W673-K677 VanDerWaalsContact O-N 3.07Å
674	L	72.8	Confident	70.4	Confident	39 Å²	39	79 Å²	79	20%	0.204	41%	0.408	C	S	.	.	H	α-helix	trans	-66.9	-40.9	177.7	-67.6	165	0	0	0	111.9	A670 R671 G676 K677 G678 L679 L695 M697	A670-L674 WeakPolarHBondContact O-CB 3.42Å; A670-L674 VanDerWaalsContact O-CG 3.23Å; A670-L674 WeakPolarHBondContact O-CG 3.31Å; A670-L674 PolarHBondContact O-N 3.43Å; R671-L674 PolarHBondContact O-N 3.24Å; L674-G676 VanDerWaalsContact C-N 3.31Å; L674-G676 PolarHBondContact O-N 2.86Å; L674-K677 CarbonylContact O-C 3.58Å; L674-K677 WeakPolarHBondContact O-CA 3.41Å; L674-K677 WeakPolarHBondContact O-CB 3.39Å; L674-K677 PolarHBondContact O-N 3.49Å; L674-G678 PolarHBondContact O-N 3.03Å; L674-L679 HydrophobicContact CB-CB 4.38Å; L674-L679 HydrophobicContact CB-CD1 4.08Å; L674-L679 HydrophobicContact CD2-CD1 3.64Å; L674-L679 HydrophobicContact CG-CD1 4.45Å; L674-L679 WeakPolarHBondContact O-CB 3.31Å; L674-L679 PolarHBondContact O-N 3.33Å; L674-L679 VanDerWaalsContact O-N 3.09Å; L674-L695 HydrophobicContact CD1-CD1 3.91Å; L674-M697 HydrophobicContact CB-CE 3.41Å; L674-M697 VanDerWaalsContact CB-CE 3.41Å; L674-M697 HydrophobicContact CB-CG 4.25Å; L674-M697 HydrophobicContact CB-SD 4.33Å; L674-M697 HydrophobicContact CD1-CE 4.42Å; L674-M697 HydrophobicContact CD1-CG 3.75Å; L674-M697 HydrophobicContact CD1-SD 4.26Å
675	E	77.6	Confident	70	Confident	79 Å²	79	79 Å²	79	37%	0.369	41%	0.408	S	S	.	.	H	α-helix	trans	-61.2	-40	170.8	-73.7	173.8	167.5	0	0	111	R671 K677 G678 L679 M697	R671-E675 HydrophobicContact CG-CG 4.23Å; R671-E675 IonicContact CZ-OE1 3.95Å; R671-E675 IonicContact NE-OE1 3.86Å; R671-E675 PolarHBondContact NE-OE1 3.45Å; R671-E675 IonicContact NE-OE2 3.84Å; R671-E675 IonicContact NH2-OE1 3.81Å; R671-E675 PolarHBondContact NH2-OE1 3.21Å; R671-E675 VanDerWaalsContact NH2-OE1 3.13Å; R671-E675 VanDerWaalsContact O-CB 3.32Å; R671-E675 WeakPolarHBondContact O-CB 3.44Å; R671-E675 VanDerWaalsContact O-CG 3.31Å; R671-E675 WeakPolarHBondContact O-CG 3.16Å; R671-E675 PolarHBondContact O-N 2.88Å; E675-K677 PolarHBondContact O-N 2.93Å; E675-G678 PolarHBondContact O-N 3.38Å; E675-L679 VanDerWaalsContact CA-O 3.24Å; E675-L679 WeakPolarHBondContact CA-O 3.48Å; E675-L679 WeakPolarHBondContact CG-O 3.25Å; E675-M697 HydrophobicContact CG-CE 3.88Å
676	G	75.2	Confident	69.5	Low	69 Å²	69	82.8 Å²	82.8	71%	0.711	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-16.3	170.5	0	0	0	0	0	114.6	R672 W673 L674	R672-G676 PolarHBondContact O-N 3.06Å; W673-G676 CarbonylContact O-C 3.46Å; W673-G676 WeakPolarHBondContact O-CA 3.49Å; W673-G676 PolarHBondContact O-N 3.21Å; L674-G676 VanDerWaalsContact C-N 3.31Å; L674-G676 PolarHBondContact O-N 2.86Å
677	K	72.6	Confident	68.8	Low	141 Å²	141	82.8 Å²	82.8	61%	0.613	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	0.6	170.9	-64.4	-67.4	-178	179.3	0	113.4	W673 L674 E675	W673-K677 HydrophobicContact CD2-CG 4.39Å; W673-K677 HydrophobicContact CE3-CG 4.26Å; W673-K677 HydrophobicContact CH2-CG 4.25Å; W673-K677 VanDerWaalsContact CZ2-CE 3.45Å; W673-K677 HydrophobicContact CZ2-CG 4.38Å; W673-K677 HydrophobicContact CZ3-CG 4.19Å; W673-K677 WeakPolarHBondContact O-CG 3.37Å; W673-K677 PolarHBondContact O-N 3.3Å; W673-K677 VanDerWaalsContact O-N 3.07Å; L674-K677 CarbonylContact O-C 3.58Å; L674-K677 WeakPolarHBondContact O-CA 3.41Å; L674-K677 WeakPolarHBondContact O-CB 3.39Å; L674-K677 PolarHBondContact O-N 3.49Å; E675-K677 PolarHBondContact O-N 2.93Å
678	G	66.8	Low	67.9	Low	59 Å²	59	85.1 Å²	85.1	61%	0.608	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.5	6.6	178.6	0	0	0	0	0	115.1	L674 E675	L674-G678 PolarHBondContact O-N 3.03Å; E675-G678 PolarHBondContact O-N 3.38Å
679	L	66.9	Low	66.9	Low	48 Å²	48	95.1 Å²	95.1	25%	0.251	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-89.4	134.4	178	-67.9	155.7	0	0	0	111	L674 E675 M697 R698 E699	L674-L679 HydrophobicContact CB-CB 4.38Å; L674-L679 HydrophobicContact CB-CD1 4.08Å; L674-L679 HydrophobicContact CD2-CD1 3.64Å; L674-L679 HydrophobicContact CG-CD1 4.45Å; L674-L679 WeakPolarHBondContact O-CB 3.31Å; L674-L679 PolarHBondContact O-N 3.33Å; L674-L679 VanDerWaalsContact O-N 3.09Å; E675-L679 VanDerWaalsContact CA-O 3.24Å; E675-L679 WeakPolarHBondContact CA-O 3.48Å; E675-L679 WeakPolarHBondContact CG-O 3.25Å; L679-M697 HydrophobicContact CB-CB 3.95Å; L679-M697 HydrophobicContact CB-CE 3.88Å; L679-M697 HydrophobicContact CD2-CB 4.35Å; L679-M697 VanDerWaalsContact O-CE 3.31Å; L679-M697 WeakPolarHBondContact O-CE 3.3Å; L679-R698 CarbonylContact C-O 3.41Å; L679-E699 HydrophobicContact CD2-CB 4.11Å
680	R	69.6	Low	65.5	Low	103 Å²	103	91.8 Å²	91.8	39%	0.389	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	121.6	179.1	-179.4	172.9	166.7	161.6	-0.2	111.1	I682 M697 R698	R680-I682 PolarHBondContact O-N 3.3Å; R680-M697 CarbonylContact O-C 3.58Å; R680-R698 PolarHBondContact N-O 2.83Å; R680-R698 WeakPolarHBondContact O-CB 3.3Å; R680-R698 PolarHBondContact O-N 3.45Å
681	F	73	Confident	64.5	Low	52 Å²	52	92.4 Å²	92.4	23%	0.228	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	130	175.8	178.2	-101.7	0	0	0	112.8	R671 A683 A684 L695 M697	R671-F681 HydrophobicContact CG-CB 4.33Å; R671-F681 HydrophobicContact CG-CD2 4.3Å; R671-F681 VanDerWaalsContact CZ-CG 3.43Å; R671-F681 VanDerWaalsContact NH1-CD1 3.33Å; F681-A683 VanDerWaalsContact CE2-O 3.23Å; F681-A683 WeakPolarHBondContact CE2-O 3.44Å; F681-A684 HydrophobicContact CE2-CB 3.96Å; F681-A684 HydrophobicContact CZ-CB 3.89Å; F681-L695 HydrophobicContact CD2-CD2 4.03Å; F681-L695 HydrophobicContact CE2-CD2 3.66Å; F681-M697 HydrophobicContact CB-CE 4.33Å; F681-M697 HydrophobicContact CB-SD 3.94Å; F681-M697 HydrophobicContact CD2-SD 3.94Å; F681-M697 HydrophobicContact CG-SD 4.45Å
682	I	65.9	Low	63.4	Low	94 Å²	94	94.1 Å²	94.1	48%	0.482	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-57.6	173.8	-54.8	-169.8	0	0	0	110.1	R680 I696 R698	R680-I682 PolarHBondContact O-N 3.3Å; I682-I696 WeakPolarHBondContact CA-O 3.37Å; I682-I696 HydrophobicContact CB-CB 4.24Å; I682-I696 HydrophobicContact CB-CG2 3.88Å; I682-I696 WeakPolarHBondContact CB-O 3.35Å; I682-I696 HydrophobicContact CD1-CG2 3.97Å; I682-I696 HydrophobicContact CG1-CG2 4.22Å; I682-I696 HydrophobicContact CG2-CG2 4.38Å; I682-I696 PolarHBondContact N-O 2.89Å; I682-R698 HydrophobicContact CD1-CB 3.52Å; I682-R698 HydrophobicContact CD1-CG 3.86Å; I682-R698 HydrophobicContact CG1-CB 3.53Å; I682-R698 HydrophobicContact CG1-CG 4.35Å
683	A	64.3	Low	62.3	Low	37 Å²	37	89.9 Å²	89.9	31%	0.306	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	160.9	-174	0	0	0	0	0	109.8	F681 I696	F681-A683 VanDerWaalsContact CE2-O 3.23Å; F681-A683 WeakPolarHBondContact CE2-O 3.44Å; A683-I696 HydrophobicContact CB-CB 4.45Å; A683-I696 HydrophobicContact CB-CD1 4.25Å; A683-I696 PolarHBondContact N-O 2.9Å; A683-I696 WeakPolarHBondContact O-CA 3.37Å; A683-I696 WeakPolarHBondContact O-CB 3.47Å; A683-I696 PolarHBondContact O-N 3.26Å
684	A	64.5	Low	61.8	Low	28 Å²	28	85.3 Å²	85.3	23%	0.231	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	146.1	164.6	0	0	0	0	0	107.2	F681 V686 D694 L695	F681-A684 HydrophobicContact CE2-CB 3.96Å; F681-A684 HydrophobicContact CZ-CB 3.89Å; A684-V686 VanDerWaalsContact O-CG2 3.31Å; A684-V686 WeakPolarHBondContact O-CG2 3.38Å; A684-V686 PolarHBondContact O-N 3.35Å; A684-V686 VanDerWaalsContact O-N 3.17Å; A684-D694 WeakPolarHBondContact CA-O 3.42Å; A684-L695 HydrophobicContact CB-CD2 4.44Å
685	N	56.7	Low	61.3	Low	74 Å²	74	85 Å²	85	40%	0.396	47%	0.47	S	S	.	.			trans	-71.7	107.8	174.6	-170.7	4.1	0	0	0	109.6	N687 D694	N685-N687 PolarHBondContact O-N 2.94Å; N685-D694 HydrophobicContact CB-CB 3.86Å; N685-D694 VanDerWaalsContact CB-OD2 3.25Å; N685-D694 WeakPolarHBondContact CB-OD2 3.37Å; N685-D694 PolarHBondContact N-O 2.82Å; N685-D694 PolarHBondContact ND2-OD2 3.31Å
686	V	53.2	Low	60.6	Low	124 Å²	124	85.7 Å²	85.7	75%	0.752	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-1.4	-167.3	-151.8	0	0	0	0	113.2	A684	A684-V686 VanDerWaalsContact O-CG2 3.31Å; A684-V686 WeakPolarHBondContact O-CG2 3.38Å; A684-V686 PolarHBondContact O-N 3.35Å; A684-V686 VanDerWaalsContact O-N 3.17Å
687	N	49.7	Very low	60.4	Low	145 Å²	145	84.2 Å²	84.2	78%	0.775	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	2	-165.6	-90.9	-18.6	0	0	0	116.5	N685	N685-N687 PolarHBondContact O-N 2.94Å
688	E	48.3	Very low	59.9	Low	80 Å²	80	79.5 Å²	79.5	37%	0.374	43%	0.428	S	S	.	.			trans	-90.3	131.3	-178.5	-61.6	-139.8	160.8	0	0	113.5	G690 E692	E688-G690 VanDerWaalsContact C-N 3.26Å; E688-G690 PolarHBondContact O-N 3.37Å; E688-E692 WeakPolarHBondContact OE2-CB 3.24Å; E688-E692 WeakPolarHBondContact OE2-CG 3.35Å
689	R	49.7	Very low	59.5	Low	250 Å²	250	84.5 Å²	84.5	94%	0.943	44%	0.436	S	S	*	.	S	Bend	trans	-80.3	-1.2	-177.9	-70.7	-179.9	176.5	-179.6	-0.9	113.4
690	G	45.9	Very low	59	Low	44 Å²	44	84.1 Å²	84.1	45%	0.454	44%	0.443	S	S	.	.	S	Bend	trans	-121.1	-3.3	-157.7	0	0	0	0	0	119.3	E688	E688-G690 VanDerWaalsContact C-N 3.26Å; E688-G690 PolarHBondContact O-N 3.37Å
691	G	47.3	Very low	58.1	Low	35 Å²	35	88.1 Å²	88.1	36%	0.361	46%	0.458	S	S	.	.			trans	74.8	29.6	-178.2	0	0	0	0	0	114.6
692	E	56.7	Low	57.2	Low	127 Å²	127	87.5 Å²	87.5	59%	0.593	46%	0.459	S	S	*	.			trans	-73.8	140.9	168.2	-55.2	-167.5	-175.2	0	0	109.5	E688 D694	E688-E692 WeakPolarHBondContact OE2-CB 3.24Å; E688-E692 WeakPolarHBondContact OE2-CG 3.35Å; E692-D694 PolarHBondContact O-N 3.22Å
693	I	56.8	Low	57.1	Low	98 Å²	98	86.2 Å²	86.2	50%	0.503	46%	0.455	S	S	.	.			trans	-84	107	-179.8	-63.9	173.9	0	0	0	107.8	E667 A670 L695	E667-I693 HydrophobicContact CG-CG1 4.44Å; A670-I693 HydrophobicContact CB-CG2 4.22Å; I693-L695 HydrophobicContact CG2-CD1 4.22Å; I693-L695 HydrophobicContact CG2-CG 4.24Å
694	D	64.4	Low	57.5	Low	66 Å²	66	87 Å²	87	35%	0.353	45%	0.454	S	S	.	.			trans	-128.9	57.5	-172.2	-130.2	18.2	0	0	0	110.5	E667 A684 N685 E692	E667-D694 PolarHBondContact OE1-N 3.06Å; A684-D694 WeakPolarHBondContact CA-O 3.42Å; N685-D694 HydrophobicContact CB-CB 3.86Å; N685-D694 VanDerWaalsContact CB-OD2 3.25Å; N685-D694 WeakPolarHBondContact CB-OD2 3.37Å; N685-D694 PolarHBondContact N-O 2.82Å; N685-D694 PolarHBondContact ND2-OD2 3.31Å; E692-D694 PolarHBondContact O-N 3.22Å
695	L	62.7	Low	58.3	Low	32 Å²	32	88.4 Å²	88.4	17%	0.168	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	118.3	-179.1	-64.3	173.2	0	0	0	111.4	E667 A670 R671 L674 F681 A684 I693 M697	E667-L695 HydrophobicContact CB-CD2 4.3Å; A670-L695 HydrophobicContact CB-CD1 3.75Å; R671-L695 HydrophobicContact CB-CD1 3.86Å; R671-L695 HydrophobicContact CB-CD2 4.26Å; L674-L695 HydrophobicContact CD1-CD1 3.91Å; F681-L695 HydrophobicContact CD2-CD2 4.03Å; F681-L695 HydrophobicContact CE2-CD2 3.66Å; A684-L695 HydrophobicContact CB-CD2 4.44Å; I693-L695 HydrophobicContact CG2-CD1 4.22Å; I693-L695 HydrophobicContact CG2-CG 4.24Å; L695-M697 HydrophobicContact CB-CG 4.29Å; L695-M697 HydrophobicContact CB-SD 4.28Å
696	I	62.7	Low	59.2	Low	94 Å²	94	88.8 Å²	88.8	48%	0.482	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	112.2	167	-52.9	179.7	0	0	0	107.8	I682 A683	I682-I696 WeakPolarHBondContact CA-O 3.37Å; I682-I696 HydrophobicContact CB-CB 4.24Å; I682-I696 HydrophobicContact CB-CG2 3.88Å; I682-I696 WeakPolarHBondContact CB-O 3.35Å; I682-I696 HydrophobicContact CD1-CG2 3.97Å; I682-I696 HydrophobicContact CG1-CG2 4.22Å; I682-I696 HydrophobicContact CG2-CG2 4.38Å; I682-I696 PolarHBondContact N-O 2.89Å; A683-I696 HydrophobicContact CB-CB 4.45Å; A683-I696 HydrophobicContact CB-CD1 4.25Å; A683-I696 PolarHBondContact N-O 2.9Å; A683-I696 WeakPolarHBondContact O-CA 3.37Å; A683-I696 WeakPolarHBondContact O-CB 3.47Å; A683-I696 PolarHBondContact O-N 3.26Å
697	M	69.9	Low	60.2	Low	37 Å²	37	87.1 Å²	87.1	18%	0.182	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	145	178.5	-53.6	-67.8	-74.1	0	0	110.9	R671 L674 E675 L679 R680 F681 L695	R671-M697 HydrophobicContact CG-CE 4.5Å; L674-M697 HydrophobicContact CB-CE 3.41Å; L674-M697 VanDerWaalsContact CB-CE 3.41Å; L674-M697 HydrophobicContact CB-CG 4.25Å; L674-M697 HydrophobicContact CB-SD 4.33Å; L674-M697 HydrophobicContact CD1-CE 4.42Å; L674-M697 HydrophobicContact CD1-CG 3.75Å; L674-M697 HydrophobicContact CD1-SD 4.26Å; E675-M697 HydrophobicContact CG-CE 3.88Å; L679-M697 HydrophobicContact CB-CB 3.95Å; L679-M697 HydrophobicContact CB-CE 3.88Å; L679-M697 HydrophobicContact CD2-CB 4.35Å; L679-M697 VanDerWaalsContact O-CE 3.31Å; L679-M697 WeakPolarHBondContact O-CE 3.3Å; R680-M697 CarbonylContact O-C 3.58Å; F681-M697 HydrophobicContact CB-CE 4.33Å; F681-M697 HydrophobicContact CB-SD 3.94Å; F681-M697 HydrophobicContact CD2-SD 3.94Å; F681-M697 HydrophobicContact CG-SD 4.45Å; L695-M697 HydrophobicContact CB-CG 4.29Å; L695-M697 HydrophobicContact CB-SD 4.28Å
698	R	62.7	Low	61.8	Low	43 Å²	43	80.6 Å²	80.6	16%	0.162	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	131.1	177.4	-156.1	164.6	58.3	176.6	-0.5	110.2	L679 R680 I682 G700 R701 T702	L679-R698 CarbonylContact C-O 3.41Å; R680-R698 PolarHBondContact N-O 2.83Å; R680-R698 WeakPolarHBondContact O-CB 3.3Å; R680-R698 PolarHBondContact O-N 3.45Å; I682-R698 HydrophobicContact CD1-CB 3.52Å; I682-R698 HydrophobicContact CD1-CG 3.86Å; I682-R698 HydrophobicContact CG1-CB 3.53Å; I682-R698 HydrophobicContact CG1-CG 4.35Å; R698-G700 VanDerWaalsContact CZ-O 3.22Å; R698-G700 PolarHBondContact NE-O 3.4Å; R698-G700 PolarHBondContact NH2-O 3.24Å; R698-R701 PolarHBondContact NH1-O 3.42Å; R698-T702 WeakPolarHBondContact CD-O 3.46Å; R698-T702 PolarHBondContact NH1-O 3.04Å
699	E	58.4	Low	63.5	Low	164 Å²	164	78.1 Å²	78.1	77%	0.766	40%	0.399	S	S	*	.	S	Bend	trans	-86.6	110.5	155.4	-161.9	169.8	-156.2	0	0	107.4	L679	L679-E699 HydrophobicContact CD2-CB 4.11Å
700	G	57.2	Low	64.9	Low	39 Å²	39	73 Å²	73	40%	0.402	39%	0.389	S	S	.	.	S	Bend	trans	98.1	-158.1	174.8	0	0	0	0	0	117.4	R698	R698-G700 VanDerWaalsContact CZ-O 3.22Å; R698-G700 PolarHBondContact NE-O 3.4Å; R698-G700 PolarHBondContact NH2-O 3.24Å
701	R	51.1	Low	66.7	Low	187 Å²	187	76.6 Å²	76.6	71%	0.706	40%	0.398	S	S	*	.	S	Bend	trans	-108.6	1.7	-168.1	-78.8	-173.5	-177	165.8	0.7	115.8	R698 T703	R698-R701 PolarHBondContact NH1-O 3.42Å; R701-T703 PolarHBondContact O-N 3.49Å
702	T	53.7	Low	68.6	Low	39 Å²	39	78 Å²	78	24%	0.239	41%	0.413	C	S	.	.			trans	-70.8	131.2	-164	-17.8	0	0	0	0	113.3	R698 I704 T830	R698-T702 WeakPolarHBondContact CD-O 3.46Å; R698-T702 PolarHBondContact NH1-O 3.04Å; T702-I704 HydrophobicContact CG2-CD1 4.11Å; T702-I704 HydrophobicContact CG2-CG1 3.35Å; T702-T830 HydrophobicContact CG2-CG2 3.92Å; T702-T830 WeakPolarHBondContact OG1-CG2 3.5Å
703	T	63.9	Low	70.4	Confident	67 Å²	67	73.9 Å²	73.9	41%	0.411	40%	0.395	S	S	.	.			trans	-115.3	67.3	165.6	39.1	0	0	0	0	109.3	R701 F705 V706 E707	R701-T703 PolarHBondContact O-N 3.49Å; T703-F705 PolarHBondContact O-N 2.96Å; T703-V706 PolarHBondContact O-N 3.03Å; T703-E707 PolarHBondContact N-OE1 2.72Å; T703-E707 WeakPolarHBondContact O-CB 3.5Å; T703-E707 WeakPolarHBondContact O-CG 3.38Å; T703-E707 PolarHBondContact O-N 3.08Å; T703-E707 PolarHBondContact OG1-OE1 3.44Å
704	I	73	Confident	72.2	Confident	53 Å²	53	71.3 Å²	71.3	27%	0.272	38%	0.38	S	S	.	.	H	α-helix	trans	-53.4	-54.2	-167.1	-63.7	172.9	0	0	0	112.9	T702 S708 V783 T809 V811	T702-I704 HydrophobicContact CG2-CD1 4.11Å; T702-I704 HydrophobicContact CG2-CG1 3.35Å; I704-S708 WeakPolarHBondContact O-CB 3.35Å; I704-S708 PolarHBondContact O-N 3.5Å; I704-V783 HydrophobicContact CG2-CG1 4.1Å; I704-V783 HydrophobicContact CG2-CG2 3.84Å; I704-T809 HydrophobicContact CD1-CG2 4.24Å; I704-T809 HydrophobicContact CG1-CG2 4.43Å; I704-T809 HydrophobicContact CG2-CG2 3.48Å; I704-T809 VanDerWaalsContact CG2-CG2 3.48Å; I704-V811 HydrophobicContact CB-CG2 4.38Å; I704-V811 HydrophobicContact CD1-CG2 3.9Å; I704-V811 HydrophobicContact CG2-CG2 3.84Å
705	F	81.2	Confident	73.7	Confident	59 Å²	59	68.1 Å²	68.1	26%	0.259	36%	0.363	S	S	.	.	H	α-helix	trans	-65.6	-42.1	-177.8	-63.9	-23.6	0	0	0	112.1	T703 S708 L709 I715 F730 V783 L785 V811	T703-F705 PolarHBondContact O-N 2.96Å; F705-S708 PolarHBondContact O-N 3.33Å; F705-L709 WeakPolarHBondContact O-CB 3.5Å; F705-L709 VanDerWaalsContact O-CD1 3.28Å; F705-L709 WeakPolarHBondContact O-CD1 3.24Å; F705-L709 WeakPolarHBondContact O-CG 3.49Å; F705-L709 PolarHBondContact O-N 3.39Å; F705-I715 HydrophobicContact CB-CD1 4.03Å; F705-I715 HydrophobicContact CD1-CD1 3.77Å; F705-I715 HydrophobicContact CD1-CG1 4.44Å; F705-I715 HydrophobicContact CD2-CD1 4.43Å; F705-I715 HydrophobicContact CE1-CD1 4.32Å; F705-I715 HydrophobicContact CE1-CG2 4.48Å; F705-I715 HydrophobicContact CG-CD1 3.84Å; F705-F730 HydrophobicContact CD2-CZ 4.28Å; F705-F730 HydrophobicContact CE2-CE2 4.15Å; F705-F730 AromaticContact CE2-CZ 3.93Å; F705-F730 HydrophobicContact CE2-CZ 3.93Å; F705-F730 HydrophobicContact CZ-CZ 4.33Å; F705-V783 HydrophobicContact CD1-CB 4.33Å; F705-V783 HydrophobicContact CD1-CG1 3.83Å; F705-V783 HydrophobicContact CD1-CG2 4.34Å; F705-V783 HydrophobicContact CE1-CB 4.42Å; F705-V783 HydrophobicContact CE1-CG1 3.55Å; F705-L785 HydrophobicContact CZ-CB 4.39Å; F705-L785 HydrophobicContact CZ-CD1 4.16Å; F705-L785 HydrophobicContact CZ-CD2 4.13Å; F705-L785 HydrophobicContact CZ-CG 4.46Å; F705-V811 HydrophobicContact CE1-CB 4.15Å; F705-V811 HydrophobicContact CE1-CG1 4.42Å; F705-V811 HydrophobicContact CE1-CG2 3.8Å; F705-V811 HydrophobicContact CZ-CB 4.32Å; F705-V811 HydrophobicContact CZ-CG1 4.15Å; F705-V811 HydrophobicContact CZ-CG2 4.34Å
706	V	75.7	Confident	75.3	Confident	81 Å²	81	66.6 Å²	66.6	49%	0.491	36%	0.355	S	S	.	.	H	α-helix	trans	-64.2	-47	-178.8	178.9	0	0	0	0	110.4	T703 L709 L710	T703-V706 PolarHBondContact O-N 3.03Å; V706-L709 PolarHBondContact O-N 3.33Å; V706-L710 HydrophobicContact CG1-CD1 3.71Å; V706-L710 HydrophobicContact CG1-CG 4.18Å; V706-L710 VanDerWaalsContact O-CB 3.31Å; V706-L710 WeakPolarHBondContact O-CB 3.48Å; V706-L710 VanDerWaalsContact O-CG 3.22Å; V706-L710 WeakPolarHBondContact O-CG 3.43Å; V706-L710 PolarHBondContact O-N 3.5Å
707	E	74	Confident	76.9	Confident	89 Å²	89	62.1 Å²	62.1	42%	0.416	33%	0.332	S	S	.	.	H	α-helix	trans	-62	-45.1	178.2	-72.6	162.7	-139.1	0	0	111.7	T703 N711	T703-E707 PolarHBondContact N-OE1 2.72Å; T703-E707 WeakPolarHBondContact O-CB 3.5Å; T703-E707 WeakPolarHBondContact O-CG 3.38Å; T703-E707 PolarHBondContact O-N 3.08Å; T703-E707 PolarHBondContact OG1-OE1 3.44Å; E707-N711 WeakPolarHBondContact O-CB 3.36Å; E707-N711 VanDerWaalsContact O-CG 3.25Å; E707-N711 PolarHBondContact O-N 3.4Å; E707-N711 VanDerWaalsContact O-N 3.12Å; E707-N711 PolarHBondContact O-ND2 3.22Å; E707-N711 VanDerWaalsContact O-ND2 3.09Å
708	S	81.7	Confident	78.1	Confident	8 Å²	8	60.4 Å²	60.4	6%	0.056	32%	0.323	C	S	.	.	H	α-helix	trans	-60.8	-47.4	177.2	-178.2	0	0	0	0	111.8	I704 F705 N711 G712 N713 G781 V783	I704-S708 WeakPolarHBondContact O-CB 3.35Å; I704-S708 PolarHBondContact O-N 3.5Å; F705-S708 PolarHBondContact O-N 3.33Å; S708-N711 PolarHBondContact O-N 2.94Å; S708-G712 PolarHBondContact O-N 3.41Å; S708-N713 WeakPolarHBondContact O-CB 3.15Å; S708-N713 PolarHBondContact O-N 3.24Å; S708-N713 WeakPolarHBondContact OG-CB 3.41Å; S708-G781 PolarHBondContact OG-O 2.74Å; S708-V783 VanDerWaalsContact CB-CG2 3.45Å; S708-V783 WeakPolarHBondContact OG-CG2 3.43Å
709	L	85	Confident	79.5	Confident	29 Å²	29	58.3 Å²	58.3	15%	0.152	32%	0.316	C	S	.	.	H	α-helix	trans	-68.5	-39.5	-178.9	-67.1	165	0	0	0	112.7	F705 V706 N711 G712 I715 M734 L745 P746	F705-L709 WeakPolarHBondContact O-CB 3.5Å; F705-L709 VanDerWaalsContact O-CD1 3.28Å; F705-L709 WeakPolarHBondContact O-CD1 3.24Å; F705-L709 WeakPolarHBondContact O-CG 3.49Å; F705-L709 PolarHBondContact O-N 3.39Å; V706-L709 PolarHBondContact O-N 3.33Å; L709-N711 PolarHBondContact O-N 3.19Å; L709-G712 PolarHBondContact O-N 2.97Å; L709-I715 HydrophobicContact CD1-CD1 4.16Å; L709-I715 HydrophobicContact CD2-CD1 4.39Å; L709-I715 HydrophobicContact CD2-CG1 4.35Å; L709-I715 HydrophobicContact CG-CD1 4.38Å; L709-M734 HydrophobicContact CD1-CE 3.46Å; L709-M734 VanDerWaalsContact CD1-CE 3.46Å; L709-M734 HydrophobicContact CD2-CE 4.46Å; L709-L745 HydrophobicContact CB-CD2 4.49Å; L709-L745 HydrophobicContact CD1-CB 4.37Å; L709-L745 HydrophobicContact CD1-CD1 4.12Å; L709-L745 HydrophobicContact CD1-CD2 4.24Å; L709-L745 HydrophobicContact CD1-CG 4.47Å; L709-L745 HydrophobicContact CD2-CB 4.17Å; L709-L745 HydrophobicContact CD2-CD2 4.47Å; L709-P746 HydrophobicContact CD2-CG 3.87Å
710	L	79.2	Confident	80.9	Confident	141 Å²	141	53 Å²	53	74%	0.738	29%	0.293	S	S	*	.	H	α-helix	trans	-64.2	-29.6	175.3	-74.7	175.7	0	0	0	112.3	V706 G712	V706-L710 HydrophobicContact CG1-CD1 3.71Å; V706-L710 HydrophobicContact CG1-CG 4.18Å; V706-L710 VanDerWaalsContact O-CB 3.31Å; V706-L710 WeakPolarHBondContact O-CB 3.48Å; V706-L710 VanDerWaalsContact O-CG 3.22Å; V706-L710 WeakPolarHBondContact O-CG 3.43Å; V706-L710 PolarHBondContact O-N 3.5Å; L710-G712 PolarHBondContact O-N 3.49Å
711	N	83.6	Confident	82.1	Confident	121 Å²	121	54.2 Å²	54.2	65%	0.647	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	4.9	174.1	-68.9	-28.3	0	0	0	113.4	E707 S708 L709 N713	E707-N711 WeakPolarHBondContact O-CB 3.36Å; E707-N711 VanDerWaalsContact O-CG 3.25Å; E707-N711 PolarHBondContact O-N 3.4Å; E707-N711 VanDerWaalsContact O-N 3.12Å; E707-N711 PolarHBondContact O-ND2 3.22Å; E707-N711 VanDerWaalsContact O-ND2 3.09Å; S708-N711 PolarHBondContact O-N 2.94Å; L709-N711 PolarHBondContact O-N 3.19Å; N711-N713 VanDerWaalsContact C-N 3.34Å
712	G	87.6	Confident	83.3	Confident	65 Å²	65	50.7 Å²	50.7	67%	0.67	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	10.8	178.4	0	0	0	0	0	114.9	S708 L709 L710	S708-G712 PolarHBondContact O-N 3.41Å; L709-G712 PolarHBondContact O-N 2.97Å; L710-G712 PolarHBondContact O-N 3.49Å
713	N	93.1	Very high	84.8	Confident	40 Å²	40	49.2 Å²	49.2	21%	0.214	30%	0.295	C	S	.	.			trans	-86.8	169.7	179	-57.1	-39.5	0	0	0	111.4	S708 N711 P746 G781	S708-N713 WeakPolarHBondContact O-CB 3.15Å; S708-N713 PolarHBondContact O-N 3.24Å; S708-N713 WeakPolarHBondContact OG-CB 3.41Å; N711-N713 VanDerWaalsContact C-N 3.34Å; N713-P746 WeakPolarHBondContact O-CG 3.36Å; N713-G781 VanDerWaalsContact CB-O 3.31Å; N713-G781 WeakPolarHBondContact CB-O 3.06Å; N713-G781 PolarHBondContact ND2-O 3.02Å
714	K	95.3	Very high	86	Confident	43 Å²	43	46.6 Å²	46.6	19%	0.187	28%	0.281	C	S	.	.			trans	-115.6	163.5	-177.5	63.5	179.7	178.6	-59	0	112.8	L716 P746 I748 L777 H779 D782 V783	K714-L716 HydrophobicContact CD-CD2 4.25Å; K714-P746 WeakPolarHBondContact CA-O 3.3Å; K714-P746 HydrophobicContact CB-CB 3.82Å; K714-P746 HydrophobicContact CB-CG 4.23Å; K714-I748 HydrophobicContact CD-CD1 4Å; K714-L777 WeakPolarHBondContact CE-O 3.28Å; K714-L777 PolarHBondContact NZ-O 3.33Å; K714-H779 PolarHBondContact NZ-ND1 2.8Å; K714-D782 WeakPolarHBondContact CE-OD2 3.28Å; K714-D782 HydrophobicContact CG-CB 4.45Å; K714-D782 VanDerWaalsContact CG-OD1 3.24Å; K714-D782 WeakPolarHBondContact CG-OD1 3.45Å; K714-D782 PolarHBondContact N-OD1 3.41Å; K714-D782 IonicContact NZ-OD1 3.68Å; K714-D782 IonicContact NZ-OD2 2.72Å; K714-D782 PolarHBondContact NZ-OD2 3.21Å; K714-D782 VanDerWaalsContact O-CA 3.32Å; K714-D782 WeakPolarHBondContact O-CA 3.35Å; K714-D782 VanDerWaalsContact O-CB 3.32Å; K714-D782 WeakPolarHBondContact O-CB 3.45Å; K714-V783 PolarHBondContact O-N 3.2Å
715	I	95.9	Very high	86.6	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.5	174.1	-52.7	177.1	0	0	0	109.8	F705 L709 F730 M734 P746 A747 I748 V783 L785	F705-I715 HydrophobicContact CB-CD1 4.03Å; F705-I715 HydrophobicContact CD1-CD1 3.77Å; F705-I715 HydrophobicContact CD1-CG1 4.44Å; F705-I715 HydrophobicContact CD2-CD1 4.43Å; F705-I715 HydrophobicContact CE1-CD1 4.32Å; F705-I715 HydrophobicContact CE1-CG2 4.48Å; F705-I715 HydrophobicContact CG-CD1 3.84Å; L709-I715 HydrophobicContact CD1-CD1 4.16Å; L709-I715 HydrophobicContact CD2-CD1 4.39Å; L709-I715 HydrophobicContact CD2-CG1 4.35Å; L709-I715 HydrophobicContact CG-CD1 4.38Å; I715-F730 HydrophobicContact CB-CE1 4.47Å; I715-F730 HydrophobicContact CD1-CE1 4.19Å; I715-F730 HydrophobicContact CD1-CZ 4.04Å; I715-F730 HydrophobicContact CG2-CE1 3.9Å; I715-M734 HydrophobicContact CD1-CE 3.85Å; I715-P746 PolarHBondContact N-O 3.4Å; I715-A747 HydrophobicContact CB-CB 4.31Å; I715-A747 CarbonylContact O-C 3.41Å; I715-A747 WeakPolarHBondContact O-CA 3.49Å; I715-I748 PolarHBondContact O-N 2.86Å; I715-V783 CarbonylContact C-O 3.55Å; I715-V783 WeakPolarHBondContact CA-O 3.33Å; I715-V783 HydrophobicContact CG1-CB 4.32Å; I715-V783 HydrophobicContact CG2-CB 4.4Å; I715-L785 HydrophobicContact CG2-CB 4.19Å
716	L	97.5	Very high	87	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	134.5	165.7	-56.9	-171.3	0	0	0	108.6	K714 I748 L750 L777 V783 L784 L785 M808	K714-L716 HydrophobicContact CD-CD2 4.25Å; L716-I748 CarbonylContact C-O 3.42Å; L716-I748 WeakPolarHBondContact CA-O 3.41Å; L716-I748 HydrophobicContact CD2-CB 3.77Å; L716-I748 HydrophobicContact CD2-CD1 3.96Å; L716-I748 HydrophobicContact CD2-CG1 4.17Å; L716-L750 HydrophobicContact CB-CD1 4.3Å; L716-L750 HydrophobicContact CB-CD2 4.41Å; L716-L750 HydrophobicContact CB-CG 4.4Å; L716-L750 HydrophobicContact CD1-CD2 4.44Å; L716-L750 HydrophobicContact CD2-CD2 4.29Å; L716-L777 HydrophobicContact CD1-CB 4.12Å; L716-V783 PolarHBondContact N-O 3.46Å; L716-L784 HydrophobicContact CB-CD1 4.2Å; L716-L784 CarbonylContact O-C 3.57Å; L716-L784 WeakPolarHBondContact O-CA 3.27Å; L716-L785 PolarHBondContact O-N 2.85Å; L716-M808 HydrophobicContact CB-CE 4.21Å; L716-M808 HydrophobicContact CD1-CE 3.78Å; L716-M808 HydrophobicContact CG-CE 3.98Å
717	C	95.8	Very high	87.8	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	139.3	179.5	53.6	0	0	0	0	112.1	A727 F730 I748 A749 L750 L785	C717-A727 HydrophobicContact CB-CB 4.05Å; C717-A727 PolarHBondContact SG-O 2.75Å; C717-F730 HydrophobicContact CB-CD1 4.47Å; C717-I748 PolarHBondContact N-O 3.33Å; C717-I748 PolarHBondContact SG-O 3.27Å; C717-A749 WeakPolarHBondContact SG-CA 3.42Å; C717-L750 PolarHBondContact O-N 3.44Å; C717-L785 VanDerWaalsContact CA-O 3.26Å; C717-L785 WeakPolarHBondContact CA-O 3.46Å; C717-L785 HydrophobicContact CB-CB 3.98Å; C717-L785 HydrophobicContact CB-CD2 4.3Å; C717-L785 HydrophobicContact CB-CG 4.32Å
718	C	95	Very high	88.7	Confident	0 Å²	0	44 Å²	44	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	158.6	179.6	65.3	0	0	0	0	111.7	L750 Y770 L785 I787	C718-L750 HydrophobicContact CB-CB 4.34Å; C718-L750 HydrophobicContact CB-CD1 4.32Å; C718-Y770 HydrophobicContact CB-CD1 3.66Å; C718-Y770 HydrophobicContact CB-CD2 4.09Å; C718-Y770 HydrophobicContact CB-CE1 3.94Å; C718-Y770 HydrophobicContact CB-CE2 4.34Å; C718-Y770 HydrophobicContact CB-CG 3.75Å; C718-L785 PolarHBondContact N-O 2.9Å; C718-I787 PolarHBondContact O-N 2.82Å
719	G	91.3	Very high	89	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.7	163.5	178.5	0	0	0	0	0	110.2	A724 Y770 I787	G719-A724 WeakPolarHBondContact O-CA 3.36Å; G719-A724 WeakPolarHBondContact O-CB 3.37Å; G719-Y770 PolarHBondContact O-OH 2.73Å; G719-I787 WeakPolarHBondContact CA-O 3.39Å
720	N	87.2	Confident	89.4	Confident	53 Å²	53	50.5 Å²	50.5	28%	0.283	30%	0.302	S	S	.	.	S	Bend	trans	-108.9	148.1	-178	-71.7	-27.6	0	0	0	112.8	T722 S723 Y770 S793 D795	N720-T722 PolarHBondContact O-N 3.38Å; N720-S723 VanDerWaalsContact O-CB 3.26Å; N720-S723 WeakPolarHBondContact O-CB 3.34Å; N720-S723 PolarHBondContact O-N 2.93Å; N720-Y770 VanDerWaalsContact OD1-CE2 3.32Å; N720-Y770 WeakPolarHBondContact OD1-CE2 3.37Å; N720-Y770 PolarHBondContact OD1-OH 2.69Å; N720-S793 PolarHBondContact ND2-OG 3.35Å; N720-D795 VanDerWaalsContact ND2-CG 3.29Å; N720-D795 PolarHBondContact ND2-OD1 3.05Å; N720-D795 VanDerWaalsContact ND2-OD1 3.09Å; N720-D795 PolarHBondContact ND2-OD2 2.97Å; N720-D795 PolarHBondContact OD1-OD2 3.48Å
721	G	83.8	Confident	90.1	Very high	63 Å²	63	44 Å²	44	65%	0.649	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	-125.5	179.6	0	0	0	0	0	112.4	S723 A724 A725	G721-S723 VanDerWaalsContact C-N 3.26Å; G721-S723 PolarHBondContact O-N 3.43Å; G721-A724 WeakPolarHBondContact O-CA 3.48Å; G721-A724 WeakPolarHBondContact O-CB 3.26Å; G721-A724 PolarHBondContact O-N 2.94Å; G721-A725 PolarHBondContact O-N 3.48Å
722	T	75.2	Confident	90.6	Very high	113 Å²	113	40.9 Å²	40.9	69%	0.693	26%	0.26	S	S	*	.	H	α-helix	trans	-60.4	-32.4	175.5	16.6	0	0	0	0	113.1	N720 A724 A725 N726	N720-T722 PolarHBondContact O-N 3.38Å; T722-A724 PolarHBondContact O-N 3.05Å; T722-A725 WeakPolarHBondContact O-CB 3.5Å; T722-A725 PolarHBondContact O-N 3.25Å; T722-A725 VanDerWaalsContact O-N 3.17Å; T722-N726 PolarHBondContact O-N 2.99Å; T722-N726 VanDerWaalsContact O-N 3.08Å
723	S	85.4	Confident	90.8	Very high	8 Å²	8	38.8 Å²	38.8	6%	0.056	24%	0.235	C	C	.	.	H	α-helix	trans	-63.9	-30.3	172.6	-59.4	0	0	0	0	112.3	N720 G721 N726 A727 I787	N720-S723 VanDerWaalsContact O-CB 3.26Å; N720-S723 WeakPolarHBondContact O-CB 3.34Å; N720-S723 PolarHBondContact O-N 2.93Å; G721-S723 VanDerWaalsContact C-N 3.26Å; G721-S723 PolarHBondContact O-N 3.43Å; S723-N726 PolarHBondContact O-N 2.78Å; S723-A727 PolarHBondContact O-N 2.81Å; S723-I787 VanDerWaalsContact CB-O 3.26Å; S723-I787 WeakPolarHBondContact CB-O 3.4Å
724	A	88.6	Confident	90.7	Very high	13 Å²	13	37.9 Å²	37.9	11%	0.107	23%	0.23	C	C	.	.	H	α-helix	trans	-67	-41.2	174.7	0	0	0	0	0	110.9	G719 G721 T722 N726 A727 Q728 N751	G719-A724 WeakPolarHBondContact O-CA 3.36Å; G719-A724 WeakPolarHBondContact O-CB 3.37Å; G721-A724 WeakPolarHBondContact O-CA 3.48Å; G721-A724 WeakPolarHBondContact O-CB 3.26Å; G721-A724 PolarHBondContact O-N 2.94Å; T722-A724 PolarHBondContact O-N 3.05Å; A724-N726 VanDerWaalsContact C-N 3.32Å; A724-N726 PolarHBondContact O-N 3.37Å; A724-A727 PolarHBondContact O-N 3.16Å; A724-Q728 WeakPolarHBondContact O-CG 2.98Å; A724-Q728 PolarHBondContact O-N 2.94Å; A724-N751 WeakPolarHBondContact CA-ND2 3.4Å; A724-N751 HydrophobicContact CB-CB 4.36Å; A724-N751 WeakPolarHBondContact CB-ND2 3.18Å; A724-N751 PolarHBondContact O-ND2 2.8Å
725	A	87.2	Confident	90.6	Very high	51 Å²	51	39.9 Å²	39.9	42%	0.421	24%	0.241	S	C	.	.	H	α-helix	trans	-62.9	-39.7	174.3	0	0	0	0	0	111.5	G721 T722 Q728 H729	G721-A725 PolarHBondContact O-N 3.48Å; T722-A725 WeakPolarHBondContact O-CB 3.5Å; T722-A725 PolarHBondContact O-N 3.25Å; T722-A725 VanDerWaalsContact O-N 3.17Å; A725-Q728 PolarHBondContact O-N 3.1Å; A725-H729 WeakPolarHBondContact O-CB 3.14Å; A725-H729 PolarHBondContact O-N 2.74Å
726	N	88.5	Confident	90.3	Very high	95 Å²	95	45 Å²	45	51%	0.508	27%	0.269	S	S	.	.	H	α-helix	trans	-64	-41	174.9	-69.2	-16.6	0	0	0	112.3	T722 S723 A724 H729 F730 I787	T722-N726 PolarHBondContact O-N 2.99Å; T722-N726 VanDerWaalsContact O-N 3.08Å; S723-N726 PolarHBondContact O-N 2.78Å; A724-N726 VanDerWaalsContact C-N 3.32Å; A724-N726 PolarHBondContact O-N 3.37Å; N726-H729 PolarHBondContact O-N 3.02Å; N726-F730 VanDerWaalsContact O-CB 3.3Å; N726-F730 WeakPolarHBondContact O-CB 3.37Å; N726-F730 PolarHBondContact O-N 2.91Å; N726-I787 HydrophobicContact CB-CD1 4.13Å
727	A	92.6	Very high	89.5	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.1	-44.1	174.6	0	0	0	0	0	111.8	C717 S723 A724 F730 A731 I787	C717-A727 HydrophobicContact CB-CB 4.05Å; C717-A727 PolarHBondContact SG-O 2.75Å; S723-A727 PolarHBondContact O-N 2.81Å; A724-A727 PolarHBondContact O-N 3.16Å; A727-F730 PolarHBondContact O-N 3.47Å; A727-A731 PolarHBondContact O-N 3.06Å; A727-I787 HydrophobicContact CB-CD1 4.26Å
728	Q	92.8	Very high	88.4	Confident	82 Å²	82	57.5 Å²	57.5	38%	0.383	32%	0.32	S	S	.	.	H	α-helix	trans	-62.2	-46.5	175.2	-70.9	176.6	0.6	0	0	112.2	A724 A725 F730 A731 A732 A749 N751 T752	A724-Q728 WeakPolarHBondContact O-CG 2.98Å; A724-Q728 PolarHBondContact O-N 2.94Å; A725-Q728 PolarHBondContact O-N 3.1Å; Q728-F730 VanDerWaalsContact C-N 3.34Å; Q728-F730 PolarHBondContact O-N 2.92Å; Q728-A731 PolarHBondContact O-N 2.68Å; Q728-A732 WeakPolarHBondContact O-CB 3.35Å; Q728-A732 PolarHBondContact O-N 2.86Å; Q728-A749 HydrophobicContact CG-CB 4.07Å; Q728-N751 WeakPolarHBondContact CG-ND2 3.36Å; Q728-N751 PolarHBondContact NE2-ND2 3.3Å; Q728-N751 PolarHBondContact NE2-O 3.16Å; Q728-N751 VanDerWaalsContact NE2-O 3.16Å; Q728-T752 HydrophobicContact CG-CG2 3.87Å
729	H	89.4	Confident	87.1	Confident	124 Å²	124	66 Å²	66	57%	0.574	36%	0.359	S	S	*	.	H	α-helix	trans	-63	-40.9	178.7	-174.2	-91.2	0	0	0	111.9	A725 N726 A732 S733	A725-H729 WeakPolarHBondContact O-CB 3.14Å; A725-H729 PolarHBondContact O-N 2.74Å; N726-H729 PolarHBondContact O-N 3.02Å; H729-A732 PolarHBondContact O-N 3.45Å; H729-S733 WeakPolarHBondContact O-CB 3.46Å; H729-S733 PolarHBondContact O-N 2.94Å; H729-S733 PolarHBondContact O-OG 3.35Å
730	F	92.6	Very high	85.9	Confident	48 Å²	48	70.6 Å²	70.6	21%	0.211	39%	0.387	C	S	.	.	H	α-helix	trans	-59.2	-53.3	173.9	176.1	-94.1	0	0	0	111	F705 I715 C717 N726 A727 Q728 A732 S733 M734 L785	F705-F730 HydrophobicContact CD2-CZ 4.28Å; F705-F730 HydrophobicContact CE2-CE2 4.15Å; F705-F730 AromaticContact CE2-CZ 3.93Å; F705-F730 HydrophobicContact CE2-CZ 3.93Å; F705-F730 HydrophobicContact CZ-CZ 4.33Å; I715-F730 HydrophobicContact CB-CE1 4.47Å; I715-F730 HydrophobicContact CD1-CE1 4.19Å; I715-F730 HydrophobicContact CD1-CZ 4.04Å; I715-F730 HydrophobicContact CG2-CE1 3.9Å; C717-F730 HydrophobicContact CB-CD1 4.47Å; N726-F730 VanDerWaalsContact O-CB 3.3Å; N726-F730 WeakPolarHBondContact O-CB 3.37Å; N726-F730 PolarHBondContact O-N 2.91Å; A727-F730 PolarHBondContact O-N 3.47Å; Q728-F730 VanDerWaalsContact C-N 3.34Å; Q728-F730 PolarHBondContact O-N 2.92Å; F730-A732 VanDerWaalsContact C-N 3.34Å; F730-A732 PolarHBondContact O-N 3.06Å; F730-S733 PolarHBondContact O-N 2.89Å; F730-M734 HydrophobicContact CD1-CG 4.18Å; F730-M734 HydrophobicContact CE1-CG 3.79Å; F730-M734 HydrophobicContact CE2-CG 4.2Å; F730-M734 HydrophobicContact CE2-SD 4.37Å; F730-M734 HydrophobicContact CZ-CE 4.46Å; F730-M734 HydrophobicContact CZ-CG 3.81Å; F730-M734 HydrophobicContact CZ-SD 4.15Å; F730-M734 VanDerWaalsContact O-CG 3.27Å; F730-M734 WeakPolarHBondContact O-CG 3.5Å; F730-M734 PolarHBondContact O-N 3.27Å; F730-L785 HydrophobicContact CD1-CD2 3.81Å; F730-L785 HydrophobicContact CD2-CD2 4.22Å; F730-L785 HydrophobicContact CE1-CD2 3.83Å; F730-L785 HydrophobicContact CE2-CD2 4.22Å; F730-L785 HydrophobicContact CG-CD2 4.02Å; F730-L785 HydrophobicContact CZ-CD2 4.03Å
731	A	94.5	Very high	85.6	Confident	5 Å²	5	75 Å²	75	4%	0.041	41%	0.406	C	S	.	.	H	α-helix	trans	-59.6	-42.9	178.7	0	0	0	0	0	112.3	A727 Q728 S733 M734 I735 A747 A749	A727-A731 PolarHBondContact O-N 3.06Å; Q728-A731 PolarHBondContact O-N 2.68Å; A731-S733 PolarHBondContact O-N 3.39Å; A731-M734 PolarHBondContact O-N 3.38Å; A731-I735 WeakPolarHBondContact O-CG1 3.41Å; A731-I735 PolarHBondContact O-N 3.1Å; A731-A747 HydrophobicContact CB-CB 4.16Å; A731-A749 HydrophobicContact CB-CB 3.85Å
732	A	93.2	Very high	85.4	Confident	55 Å²	55	75.1 Å²	75.1	46%	0.455	39%	0.387	S	S	.	.	H	α-helix	trans	-61.3	-43.1	177	0	0	0	0	0	112.2	Q728 H729 F730 M734 I735 N736	Q728-A732 WeakPolarHBondContact O-CB 3.35Å; Q728-A732 PolarHBondContact O-N 2.86Å; H729-A732 PolarHBondContact O-N 3.45Å; F730-A732 VanDerWaalsContact C-N 3.34Å; F730-A732 PolarHBondContact O-N 3.06Å; A732-M734 VanDerWaalsContact C-N 3.33Å; A732-I735 PolarHBondContact O-N 2.88Å; A732-N736 VanDerWaalsContact O-CB 3.3Å; A732-N736 WeakPolarHBondContact O-CB 3.15Å; A732-N736 PolarHBondContact O-N 3.13Å
733	S	91.4	Very high	85.8	Confident	21 Å²	21	75.1 Å²	75.1	15%	0.147	39%	0.389	C	S	.	.	H	α-helix	trans	-65.9	-37.1	176.8	-58.8	0	0	0	0	111.5	H729 F730 A731 R737 R742	H729-S733 WeakPolarHBondContact O-CB 3.46Å; H729-S733 PolarHBondContact O-N 2.94Å; H729-S733 PolarHBondContact O-OG 3.35Å; F730-S733 PolarHBondContact O-N 2.89Å; A731-S733 PolarHBondContact O-N 3.39Å; S733-R737 CarbonylContact O-C 3.52Å; S733-R742 PolarHBondContact O-NH2 3.32Å
734	M	91.2	Very high	86.1	Confident	22 Å²	22	78.7 Å²	78.7	11%	0.108	41%	0.414	C	S	.	.	H	α-helix	trans	-65.1	-45.2	176.1	-70.7	-60	-79.8	0	0	112.1	L709 I715 F730 A731 A732 R742 L745 A747	L709-M734 HydrophobicContact CD1-CE 3.46Å; L709-M734 VanDerWaalsContact CD1-CE 3.46Å; L709-M734 HydrophobicContact CD2-CE 4.46Å; I715-M734 HydrophobicContact CD1-CE 3.85Å; F730-M734 HydrophobicContact CD1-CG 4.18Å; F730-M734 HydrophobicContact CE1-CG 3.79Å; F730-M734 HydrophobicContact CE2-CG 4.2Å; F730-M734 HydrophobicContact CE2-SD 4.37Å; F730-M734 HydrophobicContact CZ-CE 4.46Å; F730-M734 HydrophobicContact CZ-CG 3.81Å; F730-M734 HydrophobicContact CZ-SD 4.15Å; F730-M734 VanDerWaalsContact O-CG 3.27Å; F730-M734 WeakPolarHBondContact O-CG 3.5Å; F730-M734 PolarHBondContact O-N 3.27Å; A731-M734 PolarHBondContact O-N 3.38Å; A732-M734 VanDerWaalsContact C-N 3.33Å; M734-R742 VanDerWaalsContact CA-NH2 3.32Å; M734-R742 PolarHBondContact O-NH1 2.95Å; M734-R742 PolarHBondContact O-NH2 3.14Å; M734-R742 VanDerWaalsContact O-NH2 3.16Å; M734-L745 CarbonylContact C-O 3.41Å; M734-L745 HydrophobicContact CB-CB 4.37Å; M734-L745 HydrophobicContact CE-CB 3.66Å; M734-L745 HydrophobicContact CE-CD1 3.63Å; M734-L745 HydrophobicContact CE-CG 4.28Å; M734-L745 PolarHBondContact O-N 2.96Å; M734-L745 HydrophobicContact SD-CD1 4.14Å; M734-A747 HydrophobicContact CB-CB 3.66Å; M734-A747 HydrophobicContact CG-CB 4.14Å
735	I	93.5	Very high	86.3	Confident	84 Å²	84	80.5 Å²	80.5	43%	0.431	42%	0.422	S	S	.	.	H	α-helix	trans	-74.7	-42.1	-178.1	-63.8	161.9	0	0	0	112.2	A731 A732 S744 A747	A731-I735 WeakPolarHBondContact O-CG1 3.41Å; A731-I735 PolarHBondContact O-N 3.1Å; A732-I735 PolarHBondContact O-N 2.88Å; I735-S744 WeakPolarHBondContact O-CA 3.5Å; I735-S744 WeakPolarHBondContact O-CB 3.44Å; I735-S744 PolarHBondContact O-OG 3.2Å; I735-A747 WeakPolarHBondContact CD1-O 3.25Å
736	N	89	Confident	86.6	Confident	108 Å²	108	81 Å²	81	58%	0.578	42%	0.42	S	S	*	.	S	Bend	trans	-86.9	-91.3	-174.2	-175.2	21.5	0	0	0	111.6	A732	A732-N736 VanDerWaalsContact O-CB 3.3Å; A732-N736 WeakPolarHBondContact O-CB 3.15Å; A732-N736 PolarHBondContact O-N 3.13Å
737	R	80.7	Confident	87	Confident	146 Å²	146	76.8 Å²	76.8	55%	0.551	40%	0.399	S	S	*	.			trans	-158	161.1	178.4	67.6	179.2	-170.9	-179.7	1.2	109.7	S733 E741	S733-R737 CarbonylContact O-C 3.52Å; R737-E741 VanDerWaalsContact CD-OE2 3.26Å; R737-E741 WeakPolarHBondContact CD-OE2 3.28Å; R737-E741 IonicContact NH1-OE2 2.72Å; R737-E741 PolarHBondContact NH1-OE2 3.28Å
738	F	72.5	Confident	87.2	Confident	117 Å²	117	79.9 Å²	79.9	51%	0.513	42%	0.415	S	S	.	.	S	Bend	trans	-144	112.6	170.3	-177	-100.9	0	0	0	109	T740	F738-T740 PolarHBondContact O-N 3.36Å
739	E	69.4	Low	87.4	Confident	177 Å²	177	76.1 Å²	76.1	83%	0.827	40%	0.398	S	S	*	.	S	Bend	trans	59.8	-33.7	-175.1	-60.5	-176.2	166.8	0	0	116.5
740	T	65.3	Low	87.7	Confident	97 Å²	97	70.2 Å²	70.2	60%	0.595	37%	0.371	S	S	*	.	S	Bend	trans	-133.7	154.8	180	58.7	0	0	0	0	110.6	F738	F738-T740 PolarHBondContact O-N 3.36Å
741	E	80.2	Confident	87.7	Confident	147 Å²	147	68.7 Å²	68.7	69%	0.687	37%	0.365	S	S	*	.			trans	-73	131.1	173.5	-155.3	70.4	-173.2	0	0	109.8	R737	R737-E741 VanDerWaalsContact CD-OE2 3.26Å; R737-E741 WeakPolarHBondContact CD-OE2 3.28Å; R737-E741 IonicContact NH1-OE2 2.72Å; R737-E741 PolarHBondContact NH1-OE2 3.28Å
742	R	81.2	Confident	87.5	Confident	64 Å²	64	72.6 Å²	72.6	24%	0.242	39%	0.388	C	S	.	.			trans	-152.7	161.7	178.9	59.3	163.2	176.6	69.5	4.2	110.8	S733 M734 L745	S733-R742 PolarHBondContact O-NH2 3.32Å; M734-R742 VanDerWaalsContact CA-NH2 3.32Å; M734-R742 PolarHBondContact O-NH1 2.95Å; M734-R742 PolarHBondContact O-NH2 3.14Å; M734-R742 VanDerWaalsContact O-NH2 3.16Å; R742-L745 VanDerWaalsContact NH1-CG 3.29Å
743	P	83.3	Confident	87.4	Confident	113 Å²	113	73.4 Å²	73.4	73%	0.734	39%	0.385	S	S	*	.			trans	-52.5	142.2	167.4	-26.1	35.5	0	0	0	112
744	S	90.5	Very high	87.1	Confident	83 Å²	83	78 Å²	78	58%	0.58	41%	0.408	S	S	*	.			trans	-59.7	133.9	175.8	-60	0	0	0	0	110.9	I735	I735-S744 WeakPolarHBondContact O-CA 3.5Å; I735-S744 WeakPolarHBondContact O-CB 3.44Å; I735-S744 PolarHBondContact O-OG 3.2Å
745	L	92.8	Very high	87	Confident	51 Å²	51	81.5 Å²	81.5	27%	0.267	43%	0.43	S	S	.	.			trans	-105	129.7	177.7	-64.3	170	0	0	0	109	L709 M734 R742 A747	L709-L745 HydrophobicContact CB-CD2 4.49Å; L709-L745 HydrophobicContact CD1-CB 4.37Å; L709-L745 HydrophobicContact CD1-CD1 4.12Å; L709-L745 HydrophobicContact CD1-CD2 4.24Å; L709-L745 HydrophobicContact CD1-CG 4.47Å; L709-L745 HydrophobicContact CD2-CB 4.17Å; L709-L745 HydrophobicContact CD2-CD2 4.47Å; M734-L745 CarbonylContact C-O 3.41Å; M734-L745 HydrophobicContact CB-CB 4.37Å; M734-L745 HydrophobicContact CE-CB 3.66Å; M734-L745 HydrophobicContact CE-CD1 3.63Å; M734-L745 HydrophobicContact CE-CG 4.28Å; M734-L745 PolarHBondContact O-N 2.96Å; M734-L745 HydrophobicContact SD-CD1 4.14Å; R742-L745 VanDerWaalsContact NH1-CG 3.29Å; L745-A747 PolarHBondContact O-N 2.93Å
746	P	95.2	Very high	86.9	Confident	61 Å²	61	79.8 Å²	79.8	40%	0.396	42%	0.424	S	S	.	.			trans	-68.6	114.6	-174.3	27.7	-37.1	0	0	0	112	L709 N713 K714 I715	L709-P746 HydrophobicContact CD2-CG 3.87Å; N713-P746 WeakPolarHBondContact O-CG 3.36Å; K714-P746 WeakPolarHBondContact CA-O 3.3Å; K714-P746 HydrophobicContact CB-CB 3.82Å; K714-P746 HydrophobicContact CB-CG 4.23Å; I715-P746 PolarHBondContact N-O 3.4Å
747	A	95.7	Very high	86.8	Confident	7 Å²	7	76.5 Å²	76.5	6%	0.058	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	147.8	174.1	0	0	0	0	0	111	I715 A731 M734 I735 L745	I715-A747 HydrophobicContact CB-CB 4.31Å; I715-A747 CarbonylContact O-C 3.41Å; I715-A747 WeakPolarHBondContact O-CA 3.49Å; A731-A747 HydrophobicContact CB-CB 4.16Å; M734-A747 HydrophobicContact CB-CB 3.66Å; M734-A747 HydrophobicContact CG-CB 4.14Å; I735-A747 WeakPolarHBondContact CD1-O 3.25Å; L745-A747 PolarHBondContact O-N 2.93Å
748	I	96.8	Very high	86.9	Confident	65 Å²	65	73.8 Å²	73.8	33%	0.333	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	124.4	179	-54	176.8	0	0	0	108.9	K714 I715 L716 C717 L750	K714-I748 HydrophobicContact CD-CD1 4Å; I715-I748 PolarHBondContact O-N 2.86Å; L716-I748 CarbonylContact C-O 3.42Å; L716-I748 WeakPolarHBondContact CA-O 3.41Å; L716-I748 HydrophobicContact CD2-CB 3.77Å; L716-I748 HydrophobicContact CD2-CD1 3.96Å; L716-I748 HydrophobicContact CD2-CG1 4.17Å; C717-I748 PolarHBondContact N-O 3.33Å; C717-I748 PolarHBondContact SG-O 3.27Å; I748-L750 HydrophobicContact CG2-CD2 4.29Å
749	A	96.7	Very high	87.6	Confident	4 Å²	4	70.7 Å²	70.7	3%	0.033	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	114.3	170.8	0	0	0	0	0	109.9	C717 Q728 A731 N751 T752	C717-A749 WeakPolarHBondContact SG-CA 3.42Å; Q728-A749 HydrophobicContact CG-CB 4.07Å; A731-A749 HydrophobicContact CB-CB 3.85Å; A749-N751 PolarHBondContact O-N 3.14Å; A749-N751 VanDerWaalsContact O-N 3.11Å; A749-T752 HydrophobicContact CB-CG2 3.74Å; A749-T752 WeakPolarHBondContact O-CG2 3.43Å; A749-T752 PolarHBondContact O-N 3.3Å; A749-T752 PolarHBondContact O-OG1 3.44Å
750	L	96.3	Very high	88.5	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-1.9	-173.5	-58.9	-175.7	0	0	0	113.7	L716 C717 C718 I748 Y770 Q773 V774 L777 L784	L716-L750 HydrophobicContact CB-CD1 4.3Å; L716-L750 HydrophobicContact CB-CD2 4.41Å; L716-L750 HydrophobicContact CB-CG 4.4Å; L716-L750 HydrophobicContact CD1-CD2 4.44Å; L716-L750 HydrophobicContact CD2-CD2 4.29Å; C717-L750 PolarHBondContact O-N 3.44Å; C718-L750 HydrophobicContact CB-CB 4.34Å; C718-L750 HydrophobicContact CB-CD1 4.32Å; I748-L750 HydrophobicContact CG2-CD2 4.29Å; L750-Y770 HydrophobicContact CB-CD1 3.85Å; L750-Y770 HydrophobicContact CB-CE1 4.36Å; L750-Q773 HydrophobicContact CD1-CB 4.41Å; L750-Q773 HydrophobicContact CD2-CB 4.17Å; L750-Q773 PolarHBondContact O-NE2 3.38Å; L750-Q773 PolarHBondContact O-OE1 2.79Å; L750-V774 HydrophobicContact CD1-CG2 3.62Å; L750-L777 HydrophobicContact CD2-CD1 4.04Å; L750-L784 HydrophobicContact CD1-CD1 4.5Å
751	N	91.8	Very high	89.2	Confident	15 Å²	15	59.7 Å²	59.7	8%	0.08	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	17.2	-178.9	67.4	-51.4	0	0	0	113.1	A724 Q728 A749 L757 Y770	A724-N751 WeakPolarHBondContact CA-ND2 3.4Å; A724-N751 HydrophobicContact CB-CB 4.36Å; A724-N751 WeakPolarHBondContact CB-ND2 3.18Å; A724-N751 PolarHBondContact O-ND2 2.8Å; Q728-N751 WeakPolarHBondContact CG-ND2 3.36Å; Q728-N751 PolarHBondContact NE2-ND2 3.3Å; Q728-N751 PolarHBondContact NE2-O 3.16Å; Q728-N751 VanDerWaalsContact NE2-O 3.16Å; A749-N751 PolarHBondContact O-N 3.14Å; A749-N751 VanDerWaalsContact O-N 3.11Å; N751-L757 HydrophobicContact CB-CD1 4.46Å; N751-Y770 HydrophobicContact CB-CE1 4.05Å
752	T	91.1	Very high	89.2	Confident	88 Å²	88	59 Å²	59	54%	0.54	35%	0.349	S	S	.	.	S	Bend	trans	-91.2	-38.3	-176.7	49.1	0	0	0	0	113.2	Q728 A749 N754	Q728-T752 HydrophobicContact CG-CG2 3.87Å; A749-T752 HydrophobicContact CB-CG2 3.74Å; A749-T752 WeakPolarHBondContact O-CG2 3.43Å; A749-T752 PolarHBondContact O-N 3.3Å; A749-T752 PolarHBondContact O-OG1 3.44Å; T752-N754 PolarHBondContact O-N 3.07Å
753	D	90.3	Very high	89	Confident	72 Å²	72	61.4 Å²	61.4	39%	0.385	37%	0.367	S	S	.	.			trans	-84.4	97.3	178.1	-169.6	-32.8	0	0	0	110.5	V755 V756 L757	D753-V755 VanDerWaalsContact C-N 3.25Å; D753-V755 PolarHBondContact O-N 3.46Å; D753-V755 WeakPolarHBondContact OD1-CA 3.44Å; D753-V755 WeakPolarHBondContact OD1-CB 3.32Å; D753-V755 PolarHBondContact OD1-N 2.67Å; D753-V756 HydrophobicContact CB-CB 4.04Å; D753-V756 HydrophobicContact CB-CG2 4.04Å; D753-V756 VanDerWaalsContact CG-CG2 3.43Å; D753-V756 PolarHBondContact O-N 3.32Å; D753-V756 PolarHBondContact OD1-N 2.75Å; D753-V756 WeakPolarHBondContact OD2-CG2 3.34Å; D753-L757 WeakPolarHBondContact O-CG 3.36Å; D753-L757 PolarHBondContact O-N 3.48Å; D753-L757 VanDerWaalsContact O-N 3.13Å
754	N	86	Confident	88	Confident	117 Å²	117	66.6 Å²	66.6	63%	0.626	37%	0.372	S	S	*	.	H	α-helix	trans	-63.7	-29.6	178.5	62.2	-13.7	0	0	0	112.8	T752 T758	T752-N754 PolarHBondContact O-N 3.07Å; N754-T758 WeakPolarHBondContact O-CB 3.3Å; N754-T758 VanDerWaalsContact O-CG2 3.25Å; N754-T758 WeakPolarHBondContact O-CG2 3.37Å; N754-T758 PolarHBondContact O-N 3.2Å; N754-T758 PolarHBondContact O-OG1 3.32Å
755	V	89	Confident	87.2	Confident	95 Å²	95	65.9 Å²	65.9	58%	0.576	36%	0.361	S	S	*	.	H	α-helix	trans	-69.1	-44	177.8	-178.3	0	0	0	0	109.8	D753 T758 A759	D753-V755 VanDerWaalsContact C-N 3.25Å; D753-V755 PolarHBondContact O-N 3.46Å; D753-V755 WeakPolarHBondContact OD1-CA 3.44Å; D753-V755 WeakPolarHBondContact OD1-CB 3.32Å; D753-V755 PolarHBondContact OD1-N 2.67Å; V755-T758 PolarHBondContact O-N 3.17Å; V755-T758 PolarHBondContact O-OG1 3.07Å; V755-A759 WeakPolarHBondContact O-CB 3.43Å; V755-A759 PolarHBondContact O-N 2.96Å
756	V	90.7	Very high	86.5	Confident	49 Å²	49	68.9 Å²	68.9	30%	0.297	37%	0.373	S	S	.	.	H	α-helix	trans	-63.4	-47.6	176.6	171	0	0	0	0	111.6	D753 T758 A759 I760 Q773	D753-V756 HydrophobicContact CB-CB 4.04Å; D753-V756 HydrophobicContact CB-CG2 4.04Å; D753-V756 VanDerWaalsContact CG-CG2 3.43Å; D753-V756 PolarHBondContact O-N 3.32Å; D753-V756 PolarHBondContact OD1-N 2.75Å; D753-V756 WeakPolarHBondContact OD2-CG2 3.34Å; V756-T758 PolarHBondContact O-N 2.83Å; V756-A759 PolarHBondContact O-N 3.41Å; V756-I760 HydrophobicContact CG1-CD1 3.8Å; V756-I760 WeakPolarHBondContact O-CG1 2.94Å; V756-I760 PolarHBondContact O-N 3.38Å; V756-I760 VanDerWaalsContact O-N 3.1Å; V756-Q773 HydrophobicContact CG1-CG 3.93Å
757	L	88.1	Confident	86.2	Confident	38 Å²	38	68.4 Å²	68.4	20%	0.199	37%	0.367	C	S	.	.	H	α-helix	trans	-59.4	-47	178.6	-68.3	178.1	0	0	0	111.6	N751 D753 A761 V769 Y770	N751-L757 HydrophobicContact CB-CD1 4.46Å; D753-L757 WeakPolarHBondContact O-CG 3.36Å; D753-L757 PolarHBondContact O-N 3.48Å; D753-L757 VanDerWaalsContact O-N 3.13Å; L757-A761 VanDerWaalsContact O-CB 3.24Å; L757-A761 WeakPolarHBondContact O-CB 3.1Å; L757-A761 PolarHBondContact O-N 2.76Å; L757-V769 HydrophobicContact CD2-CB 4.1Å; L757-Y770 HydrophobicContact CD2-CE1 4.16Å
758	T	82.9	Confident	85.9	Confident	89 Å²	89	69.4 Å²	69.4	55%	0.546	37%	0.371	S	S	.	.	H	α-helix	trans	-72.4	-36.3	-177.7	54.6	0	0	0	0	112.5	N754 V755 V756 A761 N762	N754-T758 WeakPolarHBondContact O-CB 3.3Å; N754-T758 VanDerWaalsContact O-CG2 3.25Å; N754-T758 WeakPolarHBondContact O-CG2 3.37Å; N754-T758 PolarHBondContact O-N 3.2Å; N754-T758 PolarHBondContact O-OG1 3.32Å; V755-T758 PolarHBondContact O-N 3.17Å; V755-T758 PolarHBondContact O-OG1 3.07Å; V756-T758 PolarHBondContact O-N 2.83Å; T758-A761 PolarHBondContact O-N 3.35Å; T758-N762 WeakPolarHBondContact O-CB 3.4Å; T758-N762 PolarHBondContact O-N 3.43Å
759	A	86.8	Confident	85.7	Confident	52 Å²	52	67 Å²	67	43%	0.43	36%	0.359	S	S	.	.	H	α-helix	trans	-61.6	-45.7	174.3	0	0	0	0	0	111.7	V755 V756 N762 D763	V755-A759 WeakPolarHBondContact O-CB 3.43Å; V755-A759 PolarHBondContact O-N 2.96Å; V756-A759 PolarHBondContact O-N 3.41Å; A759-N762 PolarHBondContact O-N 2.97Å; A759-D763 PolarHBondContact O-N 2.92Å
760	I	87.2	Confident	85.7	Confident	20 Å²	20	67.2 Å²	67.2	10%	0.103	36%	0.359	C	S	.	.	H	α-helix	trans	-66.4	-44	177.3	-63.6	165.2	0	0	0	111.1	V756 N762 D763 L765 E768 V769 K772 Q773	V756-I760 HydrophobicContact CG1-CD1 3.8Å; V756-I760 WeakPolarHBondContact O-CG1 2.94Å; V756-I760 PolarHBondContact O-N 3.38Å; V756-I760 VanDerWaalsContact O-N 3.1Å; I760-N762 VanDerWaalsContact C-N 3.35Å; I760-N762 PolarHBondContact O-N 3.34Å; I760-D763 PolarHBondContact O-N 3.07Å; I760-L765 HydrophobicContact CG2-CB 4.07Å; I760-L765 WeakPolarHBondContact CG2-O 3.34Å; I760-L765 PolarHBondContact O-N 3.44Å; I760-E768 HydrophobicContact CG2-CB 4.21Å; I760-V769 HydrophobicContact CB-CG1 4.26Å; I760-V769 HydrophobicContact CG2-CB 4.49Å; I760-V769 HydrophobicContact CG2-CG1 3.96Å; I760-K772 HydrophobicContact CD1-CB 4.02Å; I760-K772 HydrophobicContact CD1-CD 4.11Å; I760-K772 HydrophobicContact CG1-CD 3.98Å; I760-K772 HydrophobicContact CG2-CD 3.83Å; I760-Q773 HydrophobicContact CD1-CG 4.47Å
761	A	81.4	Confident	85.6	Confident	23 Å²	23	67.2 Å²	67.2	19%	0.19	36%	0.359	C	S	.	.	H	α-helix	trans	-64.8	-37.8	178.6	0	0	0	0	0	112.3	L757 T758 D763 R764 V769	L757-A761 VanDerWaalsContact O-CB 3.24Å; L757-A761 WeakPolarHBondContact O-CB 3.1Å; L757-A761 PolarHBondContact O-N 2.76Å; T758-A761 PolarHBondContact O-N 3.35Å; A761-D763 VanDerWaalsContact C-N 3.26Å; A761-D763 PolarHBondContact O-N 3.02Å; A761-R764 WeakPolarHBondContact O-CA 3.35Å; A761-R764 PolarHBondContact O-N 3.23Å; A761-V769 HydrophobicContact CB-CG1 4.23Å
762	N	79.1	Confident	85.7	Confident	133 Å²	133	70.7 Å²	70.7	71%	0.711	37%	0.374	S	S	*	.	H	α-helix	trans	-63.7	-30.8	179.6	-172.3	62.3	0	0	0	112.5	T758 A759 I760 R764	T758-N762 WeakPolarHBondContact O-CB 3.4Å; T758-N762 PolarHBondContact O-N 3.43Å; A759-N762 PolarHBondContact O-N 2.97Å; I760-N762 VanDerWaalsContact C-N 3.35Å; I760-N762 PolarHBondContact O-N 3.34Å; N762-R764 PolarHBondContact O-N 3.06Å; N762-R764 VanDerWaalsContact O-N 3.09Å
763	D	77.6	Confident	86	Confident	115 Å²	115	67.5 Å²	67.5	62%	0.615	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	15.3	172.5	-71.6	-13.5	0	0	0	113.3	A759 I760 A761 L765	A759-D763 PolarHBondContact O-N 2.92Å; I760-D763 PolarHBondContact O-N 3.07Å; A761-D763 VanDerWaalsContact C-N 3.26Å; A761-D763 PolarHBondContact O-N 3.02Å; D763-L765 HydrophobicContact CB-CD1 4.49Å; D763-L765 PolarHBondContact O-N 3.34Å
764	R	62	Low	86.3	Confident	222 Å²	222	64 Å²	64	84%	0.838	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	23.6	-176.5	-55.6	-172.3	177.1	115.7	-0.3	114.1	A761 N762	A761-R764 WeakPolarHBondContact O-CA 3.35Å; A761-R764 PolarHBondContact O-N 3.23Å; N762-R764 PolarHBondContact O-N 3.06Å; N762-R764 VanDerWaalsContact O-N 3.09Å
765	L	73.4	Confident	86.7	Confident	67 Å²	67	62.8 Å²	62.8	35%	0.351	32%	0.32	S	S	.	.			trans	-103	49.7	177.6	-61.6	176.4	0	0	0	110.7	I760 D763 D767 E768	I760-L765 HydrophobicContact CG2-CB 4.07Å; I760-L765 WeakPolarHBondContact CG2-O 3.34Å; I760-L765 PolarHBondContact O-N 3.44Å; D763-L765 HydrophobicContact CB-CD1 4.49Å; D763-L765 PolarHBondContact O-N 3.34Å; L765-D767 PolarHBondContact O-N 3.26Å; L765-E768 HydrophobicContact CB-CB 3.93Å; L765-E768 HydrophobicContact CB-CG 3.98Å; L765-E768 HydrophobicContact CD2-CG 4.29Å; L765-E768 WeakPolarHBondContact O-CB 3.36Å; L765-E768 PolarHBondContact O-N 2.98Å
766	H	78.5	Confident	87	Confident	115 Å²	115	61.3 Å²	61.3	53%	0.532	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-54.5	-39.5	-179.2	-66.6	-74.8	0	0	0	112.5	E768 V769	H766-E768 PolarHBondContact O-N 2.95Å; H766-V769 WeakPolarHBondContact O-CG1 3.26Å; H766-V769 WeakPolarHBondContact O-CG2 3.39Å
767	D	88.9	Confident	87.3	Confident	51 Å²	51	62.2 Å²	62.2	27%	0.273	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-72.4	-11.1	178.4	-57.7	-18.7	0	0	0	112.8	L765 R794 D795 K798	L765-D767 PolarHBondContact O-N 3.26Å; D767-R794 HydrophobicContact CB-CB 4.29Å; D767-D795 VanDerWaalsContact O-CA 3.28Å; D767-D795 WeakPolarHBondContact O-CA 3.2Å; D767-K798 HydrophobicContact CB-CD 3.77Å; D767-K798 WeakPolarHBondContact O-CB 3.39Å; D767-K798 WeakPolarHBondContact O-CD 3.38Å
768	E	90.3	Very high	87.6	Confident	27 Å²	27	60.4 Å²	60.4	13%	0.126	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-101.3	-1.4	-175.9	-61.4	-70.9	151.4	0	0	113.6	I760 L765 H766 Y770 A771 K772 R775 K798	I760-E768 HydrophobicContact CG2-CB 4.21Å; L765-E768 HydrophobicContact CB-CB 3.93Å; L765-E768 HydrophobicContact CB-CG 3.98Å; L765-E768 HydrophobicContact CD2-CG 4.29Å; L765-E768 WeakPolarHBondContact O-CB 3.36Å; L765-E768 PolarHBondContact O-N 2.98Å; H766-E768 PolarHBondContact O-N 2.95Å; E768-Y770 PolarHBondContact O-N 3.06Å; E768-Y770 VanDerWaalsContact O-N 3.17Å; E768-A771 PolarHBondContact O-N 3.39Å; E768-K772 HydrophobicContact CB-CD 4.13Å; E768-K772 HydrophobicContact CB-CG 4.13Å; E768-K772 WeakPolarHBondContact O-CB 3.38Å; E768-K772 PolarHBondContact O-N 2.7Å; E768-R775 IonicContact OE2-CZ 3.78Å; E768-R775 IonicContact OE2-NH1 3.64Å; E768-R775 PolarHBondContact OE2-NH1 3.03Å; E768-R775 IonicContact OE2-NH2 3.85Å; E768-R775 PolarHBondContact OE2-NH2 3.37Å; E768-K798 WeakPolarHBondContact OE1-CD 3.38Å; E768-K798 IonicContact OE1-NZ 3.43Å; E768-K798 PolarHBondContact OE1-NZ 3.04Å
769	V	92.7	Very high	88	Confident	15 Å²	15	61.6 Å²	61.6	9%	0.091	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-39.5	-170.9	-67.7	0	0	0	0	112.9	L757 I760 A761 H766 Q773 D795	L757-V769 HydrophobicContact CD2-CB 4.1Å; I760-V769 HydrophobicContact CB-CG1 4.26Å; I760-V769 HydrophobicContact CG2-CB 4.49Å; I760-V769 HydrophobicContact CG2-CG1 3.96Å; A761-V769 HydrophobicContact CB-CG1 4.23Å; H766-V769 WeakPolarHBondContact O-CG1 3.26Å; H766-V769 WeakPolarHBondContact O-CG2 3.39Å; V769-Q773 PolarHBondContact O-NE2 3.11Å; V769-D795 HydrophobicContact CG2-CB 3.99Å
770	Y	95.6	Very high	88.2	Confident	9 Å²	9	62 Å²	62	4%	0.035	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-41	172.9	-60.2	-52.4	0	0	0	112.3	C718 G719 N720 L750 N751 L757 E768 K772 Q773 V774 D795 I796	C718-Y770 HydrophobicContact CB-CD1 3.66Å; C718-Y770 HydrophobicContact CB-CD2 4.09Å; C718-Y770 HydrophobicContact CB-CE1 3.94Å; C718-Y770 HydrophobicContact CB-CE2 4.34Å; C718-Y770 HydrophobicContact CB-CG 3.75Å; G719-Y770 PolarHBondContact O-OH 2.73Å; N720-Y770 VanDerWaalsContact OD1-CE2 3.32Å; N720-Y770 WeakPolarHBondContact OD1-CE2 3.37Å; N720-Y770 PolarHBondContact OD1-OH 2.69Å; L750-Y770 HydrophobicContact CB-CD1 3.85Å; L750-Y770 HydrophobicContact CB-CE1 4.36Å; N751-Y770 HydrophobicContact CB-CE1 4.05Å; L757-Y770 HydrophobicContact CD2-CE1 4.16Å; E768-Y770 PolarHBondContact O-N 3.06Å; E768-Y770 VanDerWaalsContact O-N 3.17Å; Y770-K772 VanDerWaalsContact C-N 3.32Å; Y770-K772 PolarHBondContact O-N 3.22Å; Y770-Q773 WeakPolarHBondContact O-CB 3.45Å; Y770-Q773 PolarHBondContact O-N 2.76Å; Y770-V774 WeakPolarHBondContact O-CG2 3.48Å; Y770-V774 PolarHBondContact O-N 3.34Å; Y770-D795 HydrophobicContact CD2-CB 4.33Å; Y770-D795 WeakPolarHBondContact CE2-OD2 3.49Å; Y770-I796 HydrophobicContact CD2-CG1 4.32Å; Y770-I796 HydrophobicContact CE2-CG1 4.3Å
771	A	94.3	Very high	88	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-57.5	-41.1	-176.2	0	0	0	0	0	113	E768 Q773 V774 R775 K798 A802	E768-A771 PolarHBondContact O-N 3.39Å; A771-Q773 VanDerWaalsContact C-N 3.35Å; A771-Q773 PolarHBondContact O-N 3.12Å; A771-V774 PolarHBondContact O-N 3.41Å; A771-R775 WeakPolarHBondContact O-CB 3.47Å; A771-R775 VanDerWaalsContact O-CG 3.29Å; A771-R775 WeakPolarHBondContact O-CG 3.48Å; A771-R775 PolarHBondContact O-N 3.37Å; A771-K798 HydrophobicContact CB-CB 3.9Å; A771-K798 WeakPolarHBondContact CB-O 3.3Å; A771-A802 HydrophobicContact CB-CB 4.04Å
772	K	94.1	Very high	88.7	Confident	88 Å²	88	61.1 Å²	61.1	38%	0.383	31%	0.311	S	S	.	.	H	α-helix	trans	-62.3	-41.1	174.5	-82.9	175.2	-176.9	-77.8	0	112.6	I760 E768 Y770 R775 A776	I760-K772 HydrophobicContact CD1-CB 4.02Å; I760-K772 HydrophobicContact CD1-CD 4.11Å; I760-K772 HydrophobicContact CG1-CD 3.98Å; I760-K772 HydrophobicContact CG2-CD 3.83Å; E768-K772 HydrophobicContact CB-CD 4.13Å; E768-K772 HydrophobicContact CB-CG 4.13Å; E768-K772 WeakPolarHBondContact O-CB 3.38Å; E768-K772 PolarHBondContact O-N 2.7Å; Y770-K772 VanDerWaalsContact C-N 3.32Å; Y770-K772 PolarHBondContact O-N 3.22Å; K772-R775 CarbonylContact O-C 3.45Å; K772-R775 PolarHBondContact O-N 3.22Å; K772-A776 WeakPolarHBondContact O-CB 3.46Å; K772-A776 PolarHBondContact O-N 3.36Å
773	Q	96.4	Very high	89.3	Confident	20 Å²	20	54.8 Å²	54.8	9%	0.093	28%	0.277	C	S	.	.	H	α-helix	trans	-69.2	-40.6	177.9	-63.5	-176.9	70.6	0	0	111.4	L750 V756 I760 V769 Y770 A771 R775 A776 L777	L750-Q773 HydrophobicContact CD1-CB 4.41Å; L750-Q773 HydrophobicContact CD2-CB 4.17Å; L750-Q773 PolarHBondContact O-NE2 3.38Å; L750-Q773 PolarHBondContact O-OE1 2.79Å; V756-Q773 HydrophobicContact CG1-CG 3.93Å; I760-Q773 HydrophobicContact CD1-CG 4.47Å; V769-Q773 PolarHBondContact O-NE2 3.11Å; Y770-Q773 WeakPolarHBondContact O-CB 3.45Å; Y770-Q773 PolarHBondContact O-N 2.76Å; A771-Q773 VanDerWaalsContact C-N 3.35Å; A771-Q773 PolarHBondContact O-N 3.12Å; Q773-R775 PolarHBondContact O-N 3.13Å; Q773-A776 WeakPolarHBondContact O-CA 3.48Å; Q773-A776 PolarHBondContact O-N 3.02Å; Q773-L777 WeakPolarHBondContact O-CB 3.38Å; Q773-L777 WeakPolarHBondContact O-CG 3.41Å; Q773-L777 PolarHBondContact O-N 3.4Å
774	V	96.5	Very high	90.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-45.7	173	174.3	0	0	0	0	110.5	L750 Y770 A771 A776 G778 L784 A799 A802 A803 M808	L750-V774 HydrophobicContact CD1-CG2 3.62Å; Y770-V774 WeakPolarHBondContact O-CG2 3.48Å; Y770-V774 PolarHBondContact O-N 3.34Å; A771-V774 PolarHBondContact O-N 3.41Å; V774-A776 PolarHBondContact O-N 2.92Å; V774-G778 WeakPolarHBondContact O-CA 3.31Å; V774-G778 PolarHBondContact O-N 3.31Å; V774-L784 HydrophobicContact CG2-CD1 4.01Å; V774-A799 HydrophobicContact CG2-CB 4.31Å; V774-A802 HydrophobicContact CB-CB 3.96Å; V774-A802 HydrophobicContact CG1-CB 3.8Å; V774-A803 HydrophobicContact CG1-CB 3.99Å; V774-M808 HydrophobicContact CG1-SD 3.79Å
775	R	95.6	Very high	91.7	Very high	90 Å²	90	38.9 Å²	38.9	34%	0.34	21%	0.209	S	C	.	.	H	α-helix	trans	-68.7	-5.9	171.3	-64.2	-175.8	-153.4	106.3	-6.6	113.8	E768 A771 K772 Q773 A802 R806	E768-R775 IonicContact OE2-CZ 3.78Å; E768-R775 IonicContact OE2-NH1 3.64Å; E768-R775 PolarHBondContact OE2-NH1 3.03Å; E768-R775 IonicContact OE2-NH2 3.85Å; E768-R775 PolarHBondContact OE2-NH2 3.37Å; A771-R775 WeakPolarHBondContact O-CB 3.47Å; A771-R775 VanDerWaalsContact O-CG 3.29Å; A771-R775 WeakPolarHBondContact O-CG 3.48Å; A771-R775 PolarHBondContact O-N 3.37Å; K772-R775 CarbonylContact O-C 3.45Å; K772-R775 PolarHBondContact O-N 3.22Å; Q773-R775 PolarHBondContact O-N 3.13Å; R775-A802 HydrophobicContact CG-CB 3.79Å; R775-R806 VanDerWaalsContact C-CZ 3.45Å; R775-R806 PolarHBondContact O-NH1 3.07Å; R775-R806 PolarHBondContact O-NH2 3.41Å
776	A	95.2	Very high	92.6	Very high	65 Å²	65	35.7 Å²	35.7	54%	0.537	19%	0.193	S	C	.	.	H	α-helix	trans	-100.9	-43.9	174.4	0	0	0	0	0	110.5	K772 Q773 V774	K772-A776 WeakPolarHBondContact O-CB 3.46Å; K772-A776 PolarHBondContact O-N 3.36Å; Q773-A776 WeakPolarHBondContact O-CA 3.48Å; Q773-A776 PolarHBondContact O-N 3.02Å; V774-A776 PolarHBondContact O-N 2.92Å
777	L	96.3	Very high	93.1	Very high	67 Å²	67	31.1 Å²	31.1	35%	0.351	17%	0.172	S	C	.	.	H	α-helix	trans	-105.2	-25.2	-165.7	-55.7	176.2	0	0	0	113.4	K714 L716 L750 Q773 H779	K714-L777 WeakPolarHBondContact CE-O 3.28Å; K714-L777 PolarHBondContact NZ-O 3.33Å; L716-L777 HydrophobicContact CD1-CB 4.12Å; L750-L777 HydrophobicContact CD2-CD1 4.04Å; Q773-L777 WeakPolarHBondContact O-CB 3.38Å; Q773-L777 WeakPolarHBondContact O-CG 3.41Å; Q773-L777 PolarHBondContact O-N 3.4Å; L777-H779 PolarHBondContact O-CE1 3.39Å; L777-H779 PolarHBondContact O-ND1 3.09Å
778	G	94.1	Very high	92.9	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.01	16%	0.162	C	C	.	.			trans	-74.6	133.5	-176.5	0	0	0	0	0	112.4	V774 R806 M808	V774-G778 WeakPolarHBondContact O-CA 3.31Å; V774-G778 PolarHBondContact O-N 3.31Å; G778-R806 WeakPolarHBondContact O-CD 3.17Å; G778-R806 PolarHBondContact O-NH1 2.83Å; G778-M808 VanDerWaalsContact CA-SD 3.59Å
779	H	93.1	Very high	92.1	Very high	114 Å²	114	31.8 Å²	31.8	53%	0.528	18%	0.18	S	C	.	.			trans	-124.6	157.9	175.6	-63.7	64.5	0	0	0	110	K714 L777 G781 D782 R806 M808	K714-H779 PolarHBondContact NZ-ND1 2.8Å; L777-H779 PolarHBondContact O-CE1 3.39Å; L777-H779 PolarHBondContact O-ND1 3.09Å; H779-G781 PolarHBondContact O-N 2.9Å; H779-D782 PolarHBondContact N-OD2 2.57Å; H779-D782 IonicContact ND1-OD2 3.18Å; H779-D782 VanDerWaalsContact O-CB 3.23Å; H779-D782 WeakPolarHBondContact O-CB 3.45Å; H779-D782 PolarHBondContact O-N 3.39Å; H779-R806 CarbonylContact C-O 3.6Å; H779-M808 WeakPolarHBondContact O-CG 3.31Å
780	A	89.6	Confident	91.1	Very high	60 Å²	60	38.8 Å²	38.8	50%	0.496	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	130.5	176.6	0	0	0	0	0	111	D782 R806 D807	A780-D782 VanDerWaalsContact C-N 3.35Å; A780-R806 WeakPolarHBondContact CA-O 3.45Å; A780-R806 PolarHBondContact N-O 3.37Å; A780-D807 HydrophobicContact CB-CB 3.82Å
781	G	84	Confident	90.2	Very high	20 Å²	20	38.4 Å²	38.4	21%	0.206	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-11.3	-176.7	0	0	0	0	0	115.9	S708 N713 H779 D807	S708-G781 PolarHBondContact OG-O 2.74Å; N713-G781 VanDerWaalsContact CB-O 3.31Å; N713-G781 WeakPolarHBondContact CB-O 3.06Å; N713-G781 PolarHBondContact ND2-O 3.02Å; H779-G781 PolarHBondContact O-N 2.9Å; G781-D807 PolarHBondContact N-O 3.11Å; G781-D807 VanDerWaalsContact N-O 3.08Å
782	D	95	Very high	89.4	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.021	23%	0.226	C	C	.	.			trans	-65.8	162.3	165.2	-68.8	-24.9	0	0	0	110.6	K714 H779 A780 M808 T809	K714-D782 WeakPolarHBondContact CE-OD2 3.28Å; K714-D782 HydrophobicContact CG-CB 4.45Å; K714-D782 VanDerWaalsContact CG-OD1 3.24Å; K714-D782 WeakPolarHBondContact CG-OD1 3.45Å; K714-D782 PolarHBondContact N-OD1 3.41Å; K714-D782 IonicContact NZ-OD1 3.68Å; K714-D782 IonicContact NZ-OD2 2.72Å; K714-D782 PolarHBondContact NZ-OD2 3.21Å; K714-D782 VanDerWaalsContact O-CA 3.32Å; K714-D782 WeakPolarHBondContact O-CA 3.35Å; K714-D782 VanDerWaalsContact O-CB 3.32Å; K714-D782 WeakPolarHBondContact O-CB 3.45Å; H779-D782 PolarHBondContact N-OD2 2.57Å; H779-D782 IonicContact ND1-OD2 3.18Å; H779-D782 VanDerWaalsContact O-CB 3.23Å; H779-D782 WeakPolarHBondContact O-CB 3.45Å; H779-D782 PolarHBondContact O-N 3.39Å; A780-D782 VanDerWaalsContact C-N 3.35Å; D782-M808 HydrophobicContact CB-CE 3.77Å; D782-M808 HydrophobicContact CB-CG 4.18Å; D782-M808 CarbonylContact O-C 3.52Å; D782-M808 VanDerWaalsContact O-CA 3.28Å; D782-M808 WeakPolarHBondContact O-CA 3.49Å; D782-M808 WeakPolarHBondContact O-CB 3.42Å; D782-T809 PolarHBondContact O-N 3.02Å
783	V	93.4	Very high	88.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.2	176.3	-175.7	0	0	0	0	110.2	I704 F705 S708 K714 I715 L716 T809 V811	I704-V783 HydrophobicContact CG2-CG1 4.1Å; I704-V783 HydrophobicContact CG2-CG2 3.84Å; F705-V783 HydrophobicContact CD1-CB 4.33Å; F705-V783 HydrophobicContact CD1-CG1 3.83Å; F705-V783 HydrophobicContact CD1-CG2 4.34Å; F705-V783 HydrophobicContact CE1-CB 4.42Å; F705-V783 HydrophobicContact CE1-CG1 3.55Å; S708-V783 VanDerWaalsContact CB-CG2 3.45Å; S708-V783 WeakPolarHBondContact OG-CG2 3.43Å; K714-V783 PolarHBondContact O-N 3.2Å; I715-V783 CarbonylContact C-O 3.55Å; I715-V783 WeakPolarHBondContact CA-O 3.33Å; I715-V783 HydrophobicContact CG1-CB 4.32Å; I715-V783 HydrophobicContact CG2-CB 4.4Å; L716-V783 PolarHBondContact N-O 3.46Å; V783-T809 CarbonylContact C-O 3.53Å; V783-T809 VanDerWaalsContact CA-O 3.25Å; V783-T809 WeakPolarHBondContact CA-O 3.48Å; V783-T809 WeakPolarHBondContact CG1-O 3.5Å; V783-V811 HydrophobicContact CG1-CB 4.44Å; V783-V811 HydrophobicContact CG1-CG2 3.81Å
784	L	95.1	Very high	88.5	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	116.1	163.8	-179.8	68.1	0	0	0	109.3	L716 L750 V774 A799 V800 A803 M808 T809 V811	L716-L784 HydrophobicContact CB-CD1 4.2Å; L716-L784 CarbonylContact O-C 3.57Å; L716-L784 WeakPolarHBondContact O-CA 3.27Å; L750-L784 HydrophobicContact CD1-CD1 4.5Å; V774-L784 HydrophobicContact CG2-CD1 4.01Å; L784-A799 HydrophobicContact CD2-CB 4.26Å; L784-A799 WeakPolarHBondContact CD2-O 3.43Å; L784-V800 HydrophobicContact CD2-CG2 4.04Å; L784-A803 HydrophobicContact CB-CB 3.83Å; L784-A803 HydrophobicContact CD2-CB 3.53Å; L784-A803 HydrophobicContact CG-CB 4.29Å; L784-M808 HydrophobicContact CB-CE 3.99Å; L784-T809 PolarHBondContact N-O 3.02Å; L784-V811 PolarHBondContact O-N 2.9Å
785	L	94.6	Very high	88.2	Confident	4 Å²	4	48 Å²	48	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	104.2	167.1	174.1	57.5	0	0	0	109.8	F705 I715 L716 C717 C718 F730 I787 V811 L813	F705-L785 HydrophobicContact CZ-CB 4.39Å; F705-L785 HydrophobicContact CZ-CD1 4.16Å; F705-L785 HydrophobicContact CZ-CD2 4.13Å; F705-L785 HydrophobicContact CZ-CG 4.46Å; I715-L785 HydrophobicContact CG2-CB 4.19Å; L716-L785 PolarHBondContact O-N 2.85Å; C717-L785 VanDerWaalsContact CA-O 3.26Å; C717-L785 WeakPolarHBondContact CA-O 3.46Å; C717-L785 HydrophobicContact CB-CB 3.98Å; C717-L785 HydrophobicContact CB-CD2 4.3Å; C717-L785 HydrophobicContact CB-CG 4.32Å; C718-L785 PolarHBondContact N-O 2.9Å; F730-L785 HydrophobicContact CD1-CD2 3.81Å; F730-L785 HydrophobicContact CD2-CD2 4.22Å; F730-L785 HydrophobicContact CE1-CD2 3.83Å; F730-L785 HydrophobicContact CE2-CD2 4.22Å; F730-L785 HydrophobicContact CG-CD2 4.02Å; F730-L785 HydrophobicContact CZ-CD2 4.03Å; L785-I787 HydrophobicContact CD1-CG1 4.28Å; L785-I787 HydrophobicContact CD2-CD1 4.39Å; L785-I787 HydrophobicContact CG-CD1 4.39Å; L785-I787 HydrophobicContact CG-CG1 4.1Å; L785-V811 CarbonylContact C-O 3.56Å; L785-V811 WeakPolarHBondContact CA-O 3.38Å; L785-V811 HydrophobicContact CD1-CB 4.27Å; L785-V811 HydrophobicContact CD1-CG1 3.96Å; L785-L813 HydrophobicContact CD1-CD1 3.92Å; L785-L813 HydrophobicContact CD1-CG 3.89Å
786	A	91.4	Very high	88.1	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	119.3	178	0	0	0	0	0	110.7	I796 V800 V811 A812 L813	A786-I796 HydrophobicContact CB-CG2 3.79Å; A786-V800 HydrophobicContact CB-CG2 4.06Å; A786-V811 PolarHBondContact N-O 3.05Å; A786-A812 CarbonylContact O-C 3.55Å; A786-A812 WeakPolarHBondContact O-CA 3.3Å; A786-L813 PolarHBondContact O-N 3.11Å
787	I	89.9	Confident	87.7	Confident	19 Å²	19	41.3 Å²	41.3	10%	0.097	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	113.7	-178.9	-48.3	178.9	0	0	0	109.4	C718 G719 S723 N726 A727 L785 L813	C718-I787 PolarHBondContact O-N 2.82Å; G719-I787 WeakPolarHBondContact CA-O 3.39Å; S723-I787 VanDerWaalsContact CB-O 3.26Å; S723-I787 WeakPolarHBondContact CB-O 3.4Å; N726-I787 HydrophobicContact CB-CD1 4.13Å; A727-I787 HydrophobicContact CB-CD1 4.26Å; L785-I787 HydrophobicContact CD1-CG1 4.28Å; L785-I787 HydrophobicContact CD2-CD1 4.39Å; L785-I787 HydrophobicContact CG-CD1 4.39Å; L785-I787 HydrophobicContact CG-CG1 4.1Å; I787-L813 HydrophobicContact CG1-CD1 4.37Å; I787-L813 HydrophobicContact CG2-CB 4.38Å
788	S	84.4	Confident	87.4	Confident	10 Å²	10	40.8 Å²	40.8	7%	0.07	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	118.8	-174.3	-176.8	0	0	0	0	112.3	R790 G791 L813 T814	S788-R790 VanDerWaalsContact C-N 3.32Å; S788-R790 PolarHBondContact O-N 2.95Å; S788-G791 WeakPolarHBondContact OG-CA 3.13Å; S788-G791 PolarHBondContact OG-N 2.79Å; S788-G791 VanDerWaalsContact OG-N 3.14Å; S788-L813 PolarHBondContact N-O 3.27Å; S788-T814 VanDerWaalsContact O-CA 3.22Å; S788-T814 WeakPolarHBondContact O-CA 3.47Å
789	T	73.6	Confident	87.3	Confident	82 Å²	82	40.8 Å²	40.8	50%	0.503	21%	0.207	S	C	.	.	S	Bend	trans	-59.2	-39.5	-174.5	-40	0	0	0	0	113.2	G815 Y816	T789-G815 CarbonylContact O-C 3.52Å; T789-G815 WeakPolarHBondContact O-CA 3.44Å; T789-G815 PolarHBondContact O-N 2.87Å; T789-Y816 HydrophobicContact CG2-CE2 4.1Å; T789-Y816 VanDerWaalsContact O-CD2 3.27Å; T789-Y816 WeakPolarHBondContact O-CD2 3.19Å
790	R	71.7	Confident	87.1	Confident	162 Å²	162	35.8 Å²	35.8	61%	0.611	18%	0.184	S	C	*	.	S	Bend	trans	-114	-4.1	-177.6	-66.2	-173.2	-179.7	-157	1.3	114.7	S788 N792 Y816	S788-R790 VanDerWaalsContact C-N 3.32Å; S788-R790 PolarHBondContact O-N 2.95Å; R790-N792 PolarHBondContact O-N 3.37Å; R790-N792 VanDerWaalsContact O-N 3.11Å; R790-N792 PolarHBondContact O-ND2 2.79Å; R790-Y816 HydrophobicContact CB-CD2 4.47Å; R790-Y816 HydrophobicContact CG-CD2 3.77Å; R790-Y816 HydrophobicContact CG-CE2 3.67Å
791	G	75.2	Confident	87	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	67.1	8.5	179.8	0	0	0	0	0	117.1	S788 G818 E820 L821	S788-G791 WeakPolarHBondContact OG-CA 3.13Å; S788-G791 PolarHBondContact OG-N 2.79Å; S788-G791 VanDerWaalsContact OG-N 3.14Å; G791-G818 WeakPolarHBondContact CA-O 3.4Å; G791-E820 PolarHBondContact O-N 2.9Å; G791-L821 WeakPolarHBondContact O-CG 3.39Å; G791-L821 PolarHBondContact O-N 3.5Å
792	N	78.2	Confident	87.3	Confident	88 Å²	88	36.9 Å²	36.9	47%	0.471	17%	0.174	S	C	.	.			trans	-113.4	10.7	-174.8	-63.6	-41.3	0	0	0	114	R790 R794 G819 E820	R790-N792 PolarHBondContact O-N 3.37Å; R790-N792 VanDerWaalsContact O-N 3.11Å; R790-N792 PolarHBondContact O-ND2 2.79Å; N792-R794 PolarHBondContact O-N 3.09Å; N792-G819 VanDerWaalsContact OD1-CA 3.23Å; N792-G819 WeakPolarHBondContact OD1-CA 3.45Å; N792-E820 PolarHBondContact OD1-N 2.91Å
793	S	84.3	Confident	87.1	Confident	37 Å²	37	36.7 Å²	36.7	26%	0.259	17%	0.173	S	C	.	.			trans	-76.3	112.3	-178	-154.7	0	0	0	0	109.5	N720 D795 I796 V797	N720-S793 PolarHBondContact ND2-OG 3.35Å; S793-D795 VanDerWaalsContact C-N 3.26Å; S793-D795 VanDerWaalsContact CB-OD1 3.27Å; S793-D795 WeakPolarHBondContact CB-OD1 3.36Å; S793-D795 PolarHBondContact O-N 3.24Å; S793-D795 PolarHBondContact OG-OD1 3.41Å; S793-I796 PolarHBondContact O-N 3.49Å; S793-V797 WeakPolarHBondContact O-CG2 3.4Å; S793-V797 PolarHBondContact O-N 3.08Å
794	R	88.1	Confident	86.6	Confident	168 Å²	168	40 Å²	40	63%	0.634	19%	0.193	S	C	*	.	H	α-helix	trans	-55.4	-39.2	-173.7	-79	-173.4	160.6	-173	-3.7	113.8	D767 N792 I796 V797 K798	D767-R794 HydrophobicContact CB-CB 4.29Å; N792-R794 PolarHBondContact O-N 3.09Å; R794-I796 VanDerWaalsContact C-N 3.33Å; R794-I796 PolarHBondContact O-N 2.89Å; R794-V797 PolarHBondContact O-N 3.2Å; R794-K798 WeakPolarHBondContact O-CB 3.38Å; R794-K798 WeakPolarHBondContact O-CG 3.23Å; R794-K798 PolarHBondContact O-N 3.24Å
795	D	90.7	Very high	86.1	Confident	18 Å²	18	44.6 Å²	44.6	10%	0.096	22%	0.221	C	C	.	.	H	α-helix	trans	-63.3	-35.8	176.1	60.4	-28.3	0	0	0	114	N720 D767 V769 Y770 S793 A799	N720-D795 VanDerWaalsContact ND2-CG 3.29Å; N720-D795 PolarHBondContact ND2-OD1 3.05Å; N720-D795 VanDerWaalsContact ND2-OD1 3.09Å; N720-D795 PolarHBondContact ND2-OD2 2.97Å; N720-D795 PolarHBondContact OD1-OD2 3.48Å; D767-D795 VanDerWaalsContact O-CA 3.28Å; D767-D795 WeakPolarHBondContact O-CA 3.2Å; V769-D795 HydrophobicContact CG2-CB 3.99Å; Y770-D795 HydrophobicContact CD2-CB 4.33Å; Y770-D795 WeakPolarHBondContact CE2-OD2 3.49Å; S793-D795 VanDerWaalsContact C-N 3.26Å; S793-D795 VanDerWaalsContact CB-OD1 3.27Å; S793-D795 WeakPolarHBondContact CB-OD1 3.36Å; S793-D795 PolarHBondContact O-N 3.24Å; S793-D795 PolarHBondContact OG-OD1 3.41Å; D795-A799 PolarHBondContact O-N 2.97Å; D795-A799 VanDerWaalsContact O-N 3.15Å
796	I	91.6	Very high	85.9	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-76.4	-41.4	174.4	-57.7	178.5	0	0	0	110.5	Y770 A786 S793 R794 K798 A799 V800 L821	Y770-I796 HydrophobicContact CD2-CG1 4.32Å; Y770-I796 HydrophobicContact CE2-CG1 4.3Å; A786-I796 HydrophobicContact CB-CG2 3.79Å; S793-I796 PolarHBondContact O-N 3.49Å; R794-I796 VanDerWaalsContact C-N 3.33Å; R794-I796 PolarHBondContact O-N 2.89Å; I796-K798 VanDerWaalsContact C-N 3.33Å; I796-K798 PolarHBondContact O-N 2.95Å; I796-A799 WeakPolarHBondContact O-CA 3.27Å; I796-A799 VanDerWaalsContact O-CB 3.29Å; I796-A799 WeakPolarHBondContact O-CB 3.17Å; I796-A799 PolarHBondContact O-N 2.87Å; I796-V800 PolarHBondContact O-N 2.81Å; I796-L821 HydrophobicContact CG2-CD1 3.73Å; I796-L821 HydrophobicContact CG2-CD2 4.37Å
797	V	86.7	Confident	85.5	Confident	13 Å²	13	51.4 Å²	51.4	8%	0.079	25%	0.252	C	S	.	.	H	α-helix	trans	-57.2	-48.2	174.8	173.3	0	0	0	0	110.2	S793 R794 A799 V800 E801 E820 L821	S793-V797 WeakPolarHBondContact O-CG2 3.4Å; S793-V797 PolarHBondContact O-N 3.08Å; R794-V797 PolarHBondContact O-N 3.2Å; V797-A799 VanDerWaalsContact C-N 3.28Å; V797-A799 PolarHBondContact O-N 3.45Å; V797-V800 WeakPolarHBondContact O-CA 3.35Å; V797-V800 WeakPolarHBondContact O-CB 3.49Å; V797-V800 PolarHBondContact O-N 3.19Å; V797-V800 VanDerWaalsContact O-N 3.09Å; V797-E801 WeakPolarHBondContact O-CG 3.44Å; V797-E801 PolarHBondContact O-N 2.94Å; V797-E820 HydrophobicContact CG1-CG 4.3Å; V797-E820 HydrophobicContact CG2-CB 4.16Å; V797-E820 HydrophobicContact CG2-CG 4.15Å; V797-L821 HydrophobicContact CB-CD2 4.47Å; V797-L821 HydrophobicContact CG2-CD2 3.91Å; V797-L821 HydrophobicContact CG2-CG 4.21Å
798	K	90.9	Very high	85.5	Confident	56 Å²	56	51 Å²	51	24%	0.243	25%	0.249	C	C	.	.	H	α-helix	trans	-64	-30	174.8	-72.5	-160.3	-177.6	179.6	0	113.8	D767 E768 A771 R794 I796 A802	D767-K798 HydrophobicContact CB-CD 3.77Å; D767-K798 WeakPolarHBondContact O-CB 3.39Å; D767-K798 WeakPolarHBondContact O-CD 3.38Å; E768-K798 WeakPolarHBondContact OE1-CD 3.38Å; E768-K798 IonicContact OE1-NZ 3.43Å; E768-K798 PolarHBondContact OE1-NZ 3.04Å; A771-K798 HydrophobicContact CB-CB 3.9Å; A771-K798 WeakPolarHBondContact CB-O 3.3Å; R794-K798 WeakPolarHBondContact O-CB 3.38Å; R794-K798 WeakPolarHBondContact O-CG 3.23Å; R794-K798 PolarHBondContact O-N 3.24Å; I796-K798 VanDerWaalsContact C-N 3.33Å; I796-K798 PolarHBondContact O-N 2.95Å; K798-A802 VanDerWaalsContact O-CB 3.3Å; K798-A802 WeakPolarHBondContact O-CB 3.34Å; K798-A802 PolarHBondContact O-N 3.24Å
799	A	93	Very high	85.5	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.1	-41	172.4	0	0	0	0	0	111.5	V774 L784 D795 I796 V797 A802 A803	V774-A799 HydrophobicContact CG2-CB 4.31Å; L784-A799 HydrophobicContact CD2-CB 4.26Å; L784-A799 WeakPolarHBondContact CD2-O 3.43Å; D795-A799 PolarHBondContact O-N 2.97Å; D795-A799 VanDerWaalsContact O-N 3.15Å; I796-A799 WeakPolarHBondContact O-CA 3.27Å; I796-A799 VanDerWaalsContact O-CB 3.29Å; I796-A799 WeakPolarHBondContact O-CB 3.17Å; I796-A799 PolarHBondContact O-N 2.87Å; V797-A799 VanDerWaalsContact C-N 3.28Å; V797-A799 PolarHBondContact O-N 3.45Å; A799-A802 WeakPolarHBondContact O-CB 3.26Å; A799-A802 PolarHBondContact O-N 2.91Å; A799-A803 WeakPolarHBondContact O-CB 3.46Å; A799-A803 PolarHBondContact O-N 3.33Å
800	V	89	Confident	86.1	Confident	9 Å²	9	50.6 Å²	50.6	6%	0.055	25%	0.245	C	C	.	.	H	α-helix	trans	-64.8	-46	174.3	168.7	0	0	0	0	110.6	L784 A786 I796 V797 A802 A803 V804 I810 L821	L784-V800 HydrophobicContact CD2-CG2 4.04Å; A786-V800 HydrophobicContact CB-CG2 4.06Å; I796-V800 PolarHBondContact O-N 2.81Å; V797-V800 WeakPolarHBondContact O-CA 3.35Å; V797-V800 WeakPolarHBondContact O-CB 3.49Å; V797-V800 PolarHBondContact O-N 3.19Å; V797-V800 VanDerWaalsContact O-N 3.09Å; V800-A802 VanDerWaalsContact C-N 3.31Å; V800-A802 PolarHBondContact O-N 2.85Å; V800-A803 WeakPolarHBondContact O-CB 3.16Å; V800-A803 PolarHBondContact O-N 3.18Å; V800-A803 VanDerWaalsContact O-N 3.1Å; V800-V804 WeakPolarHBondContact O-CG2 3.32Å; V800-V804 PolarHBondContact O-N 3.2Å; V800-I810 HydrophobicContact CG1-CD1 4.03Å; V800-I810 HydrophobicContact CG1-CG1 4.43Å; V800-I810 HydrophobicContact CG1-CG2 4.08Å; V800-I810 HydrophobicContact CG2-CG2 4Å; V800-L821 HydrophobicContact CB-CD2 4.14Å; V800-L821 HydrophobicContact CG2-CD2 3.69Å
801	E	87.1	Confident	86.8	Confident	102 Å²	102	44.2 Å²	44.2	48%	0.477	22%	0.224	S	C	.	.	H	α-helix	trans	-55.6	-45.9	172.1	-67.9	173.1	174.5	0	0	111.6	V797 A803 V804 T805	V797-E801 WeakPolarHBondContact O-CG 3.44Å; V797-E801 PolarHBondContact O-N 2.94Å; E801-A803 VanDerWaalsContact C-N 3.33Å; E801-A803 PolarHBondContact O-N 3.28Å; E801-V804 WeakPolarHBondContact O-CB 3.06Å; E801-V804 PolarHBondContact O-N 3.38Å; E801-T805 WeakPolarHBondContact O-CG2 3.47Å; E801-T805 PolarHBondContact O-N 3.31Å
802	A	90.7	Very high	87.2	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-62.1	-38.2	175.8	0	0	0	0	0	112.9	A771 V774 R775 K798 A799 V800 T805 R806	A771-A802 HydrophobicContact CB-CB 4.04Å; V774-A802 HydrophobicContact CB-CB 3.96Å; V774-A802 HydrophobicContact CG1-CB 3.8Å; R775-A802 HydrophobicContact CG-CB 3.79Å; K798-A802 VanDerWaalsContact O-CB 3.3Å; K798-A802 WeakPolarHBondContact O-CB 3.34Å; K798-A802 PolarHBondContact O-N 3.24Å; A799-A802 WeakPolarHBondContact O-CB 3.26Å; A799-A802 PolarHBondContact O-N 2.91Å; V800-A802 VanDerWaalsContact C-N 3.31Å; V800-A802 PolarHBondContact O-N 2.85Å; A802-T805 WeakPolarHBondContact CA-OG1 3.44Å; A802-T805 PolarHBondContact O-N 3.3Å; A802-T805 PolarHBondContact O-OG1 2.88Å; A802-R806 WeakPolarHBondContact O-CG 3.28Å; A802-R806 PolarHBondContact O-N 2.93Å
803	A	89.9	Confident	87.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.8	-39.5	176.2	0	0	0	0	0	111.9	V774 L784 A799 V800 E801 T805 R806 D807 M808 I810	V774-A803 HydrophobicContact CG1-CB 3.99Å; L784-A803 HydrophobicContact CB-CB 3.83Å; L784-A803 HydrophobicContact CD2-CB 3.53Å; L784-A803 HydrophobicContact CG-CB 4.29Å; A799-A803 WeakPolarHBondContact O-CB 3.46Å; A799-A803 PolarHBondContact O-N 3.33Å; V800-A803 WeakPolarHBondContact O-CB 3.16Å; V800-A803 PolarHBondContact O-N 3.18Å; V800-A803 VanDerWaalsContact O-N 3.1Å; E801-A803 VanDerWaalsContact C-N 3.33Å; E801-A803 PolarHBondContact O-N 3.28Å; A803-T805 VanDerWaalsContact C-N 3.3Å; A803-T805 PolarHBondContact O-N 2.89Å; A803-R806 CarbonylContact O-C 3.52Å; A803-R806 WeakPolarHBondContact O-CA 3.37Å; A803-R806 PolarHBondContact O-N 3.48Å; A803-D807 PolarHBondContact O-N 3.01Å; A803-M808 HydrophobicContact CB-CB 4Å; A803-M808 HydrophobicContact CB-SD 4.05Å; A803-M808 PolarHBondContact O-N 2.76Å; A803-M808 VanDerWaalsContact O-N 3.13Å; A803-I810 HydrophobicContact CB-CD1 4.22Å; A803-I810 HydrophobicContact CB-CG1 3.84Å
804	V	82.5	Confident	86.9	Confident	69 Å²	69	46.8 Å²	46.8	42%	0.418	24%	0.24	S	C	.	.	H	α-helix	trans	-56.7	-46.5	171.1	174.7	0	0	0	0	109.9	V800 E801 R806 D807 I810	V800-V804 WeakPolarHBondContact O-CG2 3.32Å; V800-V804 PolarHBondContact O-N 3.2Å; E801-V804 WeakPolarHBondContact O-CB 3.06Å; E801-V804 PolarHBondContact O-N 3.38Å; V804-R806 PolarHBondContact O-N 3.11Å; V804-D807 PolarHBondContact O-N 3.42Å; V804-I810 HydrophobicContact CB-CD1 4.46Å; V804-I810 HydrophobicContact CG2-CD1 3.4Å
805	T	85.5	Confident	85.4	Confident	97 Å²	97	40.2 Å²	40.2	60%	0.595	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-7.1	177.7	63.9	0	0	0	0	114.7	E801 A802 A803	E801-T805 WeakPolarHBondContact O-CG2 3.47Å; E801-T805 PolarHBondContact O-N 3.31Å; A802-T805 WeakPolarHBondContact CA-OG1 3.44Å; A802-T805 PolarHBondContact O-N 3.3Å; A802-T805 PolarHBondContact O-OG1 2.88Å; A803-T805 VanDerWaalsContact C-N 3.3Å; A803-T805 PolarHBondContact O-N 2.89Å
806	R	89.2	Confident	84.3	Confident	83 Å²	83	48 Å²	48	31%	0.313	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	8.6	-177.9	-74.6	-69.3	175.5	117.6	-18.5	113.5	R775 G778 H779 A780 A802 A803 V804 M808	R775-R806 VanDerWaalsContact C-CZ 3.45Å; R775-R806 PolarHBondContact O-NH1 3.07Å; R775-R806 PolarHBondContact O-NH2 3.41Å; G778-R806 WeakPolarHBondContact O-CD 3.17Å; G778-R806 PolarHBondContact O-NH1 2.83Å; H779-R806 CarbonylContact C-O 3.6Å; A780-R806 WeakPolarHBondContact CA-O 3.45Å; A780-R806 PolarHBondContact N-O 3.37Å; A802-R806 WeakPolarHBondContact O-CG 3.28Å; A802-R806 PolarHBondContact O-N 2.93Å; A803-R806 CarbonylContact O-C 3.52Å; A803-R806 WeakPolarHBondContact O-CA 3.37Å; A803-R806 PolarHBondContact O-N 3.48Å; V804-R806 PolarHBondContact O-N 3.11Å; R806-M808 HydrophobicContact CB-CG 3.8Å; R806-M808 HydrophobicContact CB-SD 3.97Å; R806-M808 PolarHBondContact O-N 3.4Å
807	D	84.4	Confident	83.2	Confident	65 Å²	65	54.3 Å²	54.3	35%	0.348	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	34.7	-175.3	-54.7	-44	0	0	0	112.6	A780 G781 A803 V804	A780-D807 HydrophobicContact CB-CB 3.82Å; G781-D807 PolarHBondContact N-O 3.11Å; G781-D807 VanDerWaalsContact N-O 3.08Å; A803-D807 PolarHBondContact O-N 3.01Å; V804-D807 PolarHBondContact O-N 3.42Å
808	M	89.1	Confident	81.8	Confident	11 Å²	11	53.9 Å²	53.9	5%	0.054	29%	0.286	C	S	.	.			trans	-85.7	146.8	175	-64.5	176.4	68.8	0	0	109.6	L716 V774 G778 H779 D782 L784 A803 R806	L716-M808 HydrophobicContact CB-CE 4.21Å; L716-M808 HydrophobicContact CD1-CE 3.78Å; L716-M808 HydrophobicContact CG-CE 3.98Å; V774-M808 HydrophobicContact CG1-SD 3.79Å; G778-M808 VanDerWaalsContact CA-SD 3.59Å; H779-M808 WeakPolarHBondContact O-CG 3.31Å; D782-M808 HydrophobicContact CB-CE 3.77Å; D782-M808 HydrophobicContact CB-CG 4.18Å; D782-M808 CarbonylContact O-C 3.52Å; D782-M808 VanDerWaalsContact O-CA 3.28Å; D782-M808 WeakPolarHBondContact O-CA 3.49Å; D782-M808 WeakPolarHBondContact O-CB 3.42Å; L784-M808 HydrophobicContact CB-CE 3.99Å; A803-M808 HydrophobicContact CB-CB 4Å; A803-M808 HydrophobicContact CB-SD 4.05Å; A803-M808 PolarHBondContact O-N 2.76Å; A803-M808 VanDerWaalsContact O-N 3.13Å; R806-M808 HydrophobicContact CB-CG 3.8Å; R806-M808 HydrophobicContact CB-SD 3.97Å; R806-M808 PolarHBondContact O-N 3.4Å
809	T	85.1	Confident	80.8	Confident	50 Å²	50	51.9 Å²	51.9	31%	0.307	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	135.7	167.7	-54.8	0	0	0	0	109.1	I704 D782 V783 L784	I704-T809 HydrophobicContact CD1-CG2 4.24Å; I704-T809 HydrophobicContact CG1-CG2 4.43Å; I704-T809 HydrophobicContact CG2-CG2 3.48Å; I704-T809 VanDerWaalsContact CG2-CG2 3.48Å; D782-T809 PolarHBondContact O-N 3.02Å; V783-T809 CarbonylContact C-O 3.53Å; V783-T809 VanDerWaalsContact CA-O 3.25Å; V783-T809 WeakPolarHBondContact CA-O 3.48Å; V783-T809 WeakPolarHBondContact CG1-O 3.5Å; L784-T809 PolarHBondContact N-O 3.02Å
810	I	85.2	Confident	79.9	Confident	33 Å²	33	56.8 Å²	56.8	17%	0.169	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129.9	-179.6	-63.4	138.9	0	0	0	109.4	V800 A803 V804 T825	V800-I810 HydrophobicContact CG1-CD1 4.03Å; V800-I810 HydrophobicContact CG1-CG1 4.43Å; V800-I810 HydrophobicContact CG1-CG2 4.08Å; V800-I810 HydrophobicContact CG2-CG2 4Å; A803-I810 HydrophobicContact CB-CD1 4.22Å; A803-I810 HydrophobicContact CB-CG1 3.84Å; V804-I810 HydrophobicContact CB-CD1 4.46Å; V804-I810 HydrophobicContact CG2-CD1 3.4Å; I810-T825 HydrophobicContact CG2-CG2 3.83Å
811	V	86.8	Confident	78.9	Confident	28 Å²	28	56.5 Å²	56.5	17%	0.17	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	114.7	169.9	179.5	0	0	0	0	107.3	I704 F705 V783 L784 L785 A786	I704-V811 HydrophobicContact CB-CG2 4.38Å; I704-V811 HydrophobicContact CD1-CG2 3.9Å; I704-V811 HydrophobicContact CG2-CG2 3.84Å; F705-V811 HydrophobicContact CE1-CB 4.15Å; F705-V811 HydrophobicContact CE1-CG1 4.42Å; F705-V811 HydrophobicContact CE1-CG2 3.8Å; F705-V811 HydrophobicContact CZ-CB 4.32Å; F705-V811 HydrophobicContact CZ-CG1 4.15Å; F705-V811 HydrophobicContact CZ-CG2 4.34Å; V783-V811 HydrophobicContact CG1-CB 4.44Å; V783-V811 HydrophobicContact CG1-CG2 3.81Å; L784-V811 PolarHBondContact O-N 2.9Å; L785-V811 CarbonylContact C-O 3.56Å; L785-V811 WeakPolarHBondContact CA-O 3.38Å; L785-V811 HydrophobicContact CD1-CB 4.27Å; L785-V811 HydrophobicContact CD1-CG1 3.96Å; A786-V811 PolarHBondContact N-O 3.05Å
812	A	83.6	Confident	77.6	Confident	28 Å²	28	53.4 Å²	53.4	23%	0.231	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	128.2	176.4	0	0	0	0	0	110.6	A786 T814 T825	A786-A812 CarbonylContact O-C 3.55Å; A786-A812 WeakPolarHBondContact O-CA 3.3Å; A812-T814 HydrophobicContact CB-CG2 4.36Å; A812-T825 HydrophobicContact CB-CG2 3.63Å
813	L	82.2	Confident	75.7	Confident	95 Å²	95	59.2 Å²	59.2	50%	0.497	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	107	169.3	-61.8	-178	0	0	0	108.2	L785 A786 I787 S788	L785-L813 HydrophobicContact CD1-CD1 3.92Å; L785-L813 HydrophobicContact CD1-CG 3.89Å; A786-L813 PolarHBondContact O-N 3.11Å; I787-L813 HydrophobicContact CG1-CD1 4.37Å; I787-L813 HydrophobicContact CG2-CB 4.38Å; S788-L813 PolarHBondContact N-O 3.27Å
814	T	74.4	Confident	73.5	Confident	56 Å²	56	61.1 Å²	61.1	34%	0.344	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	150.1	-177.1	60.4	0	0	0	0	112.6	S788 A812 G818 L821	S788-T814 VanDerWaalsContact O-CA 3.22Å; S788-T814 WeakPolarHBondContact O-CA 3.47Å; A812-T814 HydrophobicContact CB-CG2 4.36Å; T814-G818 WeakPolarHBondContact OG1-CA 3.24Å; T814-L821 HydrophobicContact CG2-CB 4.12Å; T814-L821 HydrophobicContact CG2-CD1 4.03Å
815	G	55.7	Low	71.7	Confident	29 Å²	29	60 Å²	60	30%	0.299	34%	0.343	S	S	.	.			trans	-98.8	-178.7	167.4	0	0	0	0	0	112.2	T789 G818	T789-G815 CarbonylContact O-C 3.52Å; T789-G815 WeakPolarHBondContact O-CA 3.44Å; T789-G815 PolarHBondContact O-N 2.87Å; G815-G818 PolarHBondContact O-N 2.83Å; G815-G818 VanDerWaalsContact O-N 3.13Å
816	Y	67.9	Low	69.3	Low	181 Å²	181	59.8 Å²	59.8	71%	0.71	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	-131.7	-179	-53.2	-84.6	0	0	0	112.6	T789 R790 G818	T789-Y816 HydrophobicContact CG2-CE2 4.1Å; T789-Y816 VanDerWaalsContact O-CD2 3.27Å; T789-Y816 WeakPolarHBondContact O-CD2 3.19Å; R790-Y816 HydrophobicContact CB-CD2 4.47Å; R790-Y816 HydrophobicContact CG-CD2 3.77Å; R790-Y816 HydrophobicContact CG-CE2 3.67Å; Y816-G818 VanDerWaalsContact C-N 3.26Å
817	D	67.5	Low	66.7	Low	134 Å²	134	57.5 Å²	57.5	72%	0.717	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	3	177.3	61.5	-3.4	0	0	0	113.2	G819	D817-G819 PolarHBondContact O-N 3.39Å; D817-G819 PolarHBondContact OD1-N 3.49Å; D817-G819 VanDerWaalsContact OD1-N 3.14Å
818	G	58.9	Low	64.3	Low	4 Å²	4	57.9 Å²	57.9	4%	0.041	35%	0.354	C	S	.	.			trans	76.6	-4	-178.5	0	0	0	0	0	115.7	G791 T814 G815 Y816 A822	G791-G818 WeakPolarHBondContact CA-O 3.4Å; T814-G818 WeakPolarHBondContact OG1-CA 3.24Å; G815-G818 PolarHBondContact O-N 2.83Å; G815-G818 VanDerWaalsContact O-N 3.13Å; Y816-G818 VanDerWaalsContact C-N 3.26Å; G818-A822 PolarHBondContact O-N 3.19Å; G818-A822 VanDerWaalsContact O-N 3.14Å
819	G	68.9	Low	61.5	Low	15 Å²	15	60.3 Å²	60.3	16%	0.155	38%	0.382	C	S	.	.	H	α-helix	trans	53	-152.5	174.2	0	0	0	0	0	115.1	N792 D817 L821 A822	N792-G819 VanDerWaalsContact OD1-CA 3.23Å; N792-G819 WeakPolarHBondContact OD1-CA 3.45Å; D817-G819 PolarHBondContact O-N 3.39Å; D817-G819 PolarHBondContact OD1-N 3.49Å; D817-G819 VanDerWaalsContact OD1-N 3.14Å; G819-L821 PolarHBondContact O-N 3.16Å; G819-A822 PolarHBondContact O-N 3.28Å
820	E	74.2	Confident	58.8	Low	102 Å²	102	62.2 Å²	62.2	48%	0.477	39%	0.393	S	S	.	.	H	α-helix	trans	-58.2	-32.8	178.5	-169	170.7	-176	0	0	112.7	G791 N792 V797 A822 V823 G824	G791-E820 PolarHBondContact O-N 2.9Å; N792-E820 PolarHBondContact OD1-N 2.91Å; V797-E820 HydrophobicContact CG1-CG 4.3Å; V797-E820 HydrophobicContact CG2-CB 4.16Å; V797-E820 HydrophobicContact CG2-CG 4.15Å; E820-A822 PolarHBondContact O-N 2.89Å; E820-V823 PolarHBondContact O-N 3.34Å; E820-G824 PolarHBondContact O-N 2.93Å
821	L	68.7	Low	56.3	Low	3 Å²	3	65.5 Å²	65.5	2%	0.016	41%	0.406	C	S	.	.	H	α-helix	trans	-63.2	-36.9	176.8	-73.6	-177.3	0	0	0	113.6	G791 I796 V797 V800 T814 G819 V823 G824 T825	G791-L821 WeakPolarHBondContact O-CG 3.39Å; G791-L821 PolarHBondContact O-N 3.5Å; I796-L821 HydrophobicContact CG2-CD1 3.73Å; I796-L821 HydrophobicContact CG2-CD2 4.37Å; V797-L821 HydrophobicContact CB-CD2 4.47Å; V797-L821 HydrophobicContact CG2-CD2 3.91Å; V797-L821 HydrophobicContact CG2-CG 4.21Å; V800-L821 HydrophobicContact CB-CD2 4.14Å; V800-L821 HydrophobicContact CG2-CD2 3.69Å; T814-L821 HydrophobicContact CG2-CB 4.12Å; T814-L821 HydrophobicContact CG2-CD1 4.03Å; G819-L821 PolarHBondContact O-N 3.16Å; L821-V823 VanDerWaalsContact C-N 3.28Å; L821-V823 PolarHBondContact O-N 2.74Å; L821-G824 PolarHBondContact O-N 2.87Å; L821-G824 VanDerWaalsContact O-N 3.11Å; L821-T825 PolarHBondContact O-N 2.82Å; L821-T825 PolarHBondContact O-OG1 3.23Å
822	A	60	Low	53.7	Low	38 Å²	38	67.5 Å²	67.5	31%	0.314	43%	0.426	S	S	.	.	H	α-helix	trans	-64.4	-33.4	-179.9	0	0	0	0	0	112.9	G818 G819 E820 G824	G818-A822 PolarHBondContact O-N 3.19Å; G818-A822 VanDerWaalsContact O-N 3.14Å; G819-A822 PolarHBondContact O-N 3.28Å; E820-A822 PolarHBondContact O-N 2.89Å; A822-G824 VanDerWaalsContact C-N 3.34Å
823	V	50	Low	51.4	Low	122 Å²	122	71.6 Å²	71.6	74%	0.739	46%	0.46	S	S	*	.	H	α-helix	trans	-70.1	-35	175.1	-176.3	0	0	0	0	110.8	E820 L821	E820-V823 PolarHBondContact O-N 3.34Å; L821-V823 VanDerWaalsContact C-N 3.28Å; L821-V823 PolarHBondContact O-N 2.74Å
824	G	43.7	Very low	49.4	Very low	41 Å²	41	71.8 Å²	71.8	42%	0.423	47%	0.465	S	S	.	.	H	α-helix	trans	-75.6	-32.2	179.9	0	0	0	0	0	114.8	E820 L821 A822	E820-G824 PolarHBondContact O-N 2.93Å; L821-G824 PolarHBondContact O-N 2.87Å; L821-G824 VanDerWaalsContact O-N 3.11Å; A822-G824 VanDerWaalsContact C-N 3.34Å
825	T	45.7	Very low	47.9	Very low	46 Å²	46	70.8 Å²	70.8	28%	0.282	46%	0.458	S	S	.	.	H	α-helix	trans	-87.9	-21.3	-174.8	54.7	0	0	0	0	115.4	I810 A812 L821 A827	I810-T825 HydrophobicContact CG2-CG2 3.83Å; A812-T825 HydrophobicContact CB-CG2 3.63Å; L821-T825 PolarHBondContact O-N 2.82Å; L821-T825 PolarHBondContact O-OG1 3.23Å; T825-A827 PolarHBondContact O-N 3.45Å
826	A	35.4	Very low	47.4	Very low	91 Å²	91	73 Å²	73	75%	0.752	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-3	-176.1	0	0	0	0	0	115
827	A	33.7	Very low	47.1	Very low	36 Å²	36	65.1 Å²	65.1	30%	0.298	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-21.8	-175.2	0	0	0	0	0	115.3	T825 V850	T825-A827 PolarHBondContact O-N 3.45Å; A827-V850 HydrophobicContact CB-CB 4.21Å; A827-V850 HydrophobicContact CB-CG1 3.55Å; A827-V850 HydrophobicContact CB-CG2 3.88Å; A827-V850 WeakPolarHBondContact O-CG2 3.42Å
828	V	33	Very low	46.4	Very low	73 Å²	73	62.1 Å²	62.1	44%	0.442	43%	0.425	S	S	.	.			trans	-139.3	96.5	-160.3	-170.8	0	0	0	0	112.1
829	G	30.7	Very low	45.7	Very low	62 Å²	62	67 Å²	67	64%	0.639	45%	0.454	S	S	*	.			trans	-177.5	116.9	171	0	0	0	0	0	116.9
830	T	28	Very low	44.7	Very low	89 Å²	89	67.5 Å²	67.5	55%	0.546	46%	0.459	S	S	.	.			trans	95.4	83.3	170.6	69.3	0	0	0	0	119.5	T702	T702-T830 HydrophobicContact CG2-CG2 3.92Å; T702-T830 WeakPolarHBondContact OG1-CG2 3.5Å
831	K	32.7	Very low	44.4	Very low	102 Å²	102	64.4 Å²	64.4	44%	0.443	45%	0.447	S	S	.	.			trans	-130.3	139.5	155.4	-70.5	-175.7	-175.8	169.6	0	109.7	E849	K831-E849 VanDerWaalsContact NZ-CD 3.29Å; K831-E849 IonicContact NZ-OE1 3.48Å; K831-E849 PolarHBondContact NZ-OE1 2.93Å; K831-E849 VanDerWaalsContact NZ-OE1 3.14Å; K831-E849 IonicContact NZ-OE2 2.64Å; K831-E849 PolarHBondContact NZ-OE2 3.01Å
832	A	33.2	Very low	43.6	Very low	71 Å²	71	65.3 Å²	65.3	59%	0.587	45%	0.451	S	S	*	.			trans	-91.7	157	-150.4	0	0	0	0	0	116.7	T834	A832-T834 PolarHBondContact O-N 3.04Å
833	A	34.8	Very low	43.2	Very low	114 Å²	114	65.6 Å²	65.6	94%	0.942	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	24.9	-176.9	0	0	0	0	0	117.8
834	T	40.2	Very low	44	Very low	98 Å²	98	63.2 Å²	63.2	60%	0.601	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	-19.1	177.1	53.6	0	0	0	0	113.5	A832 S943	A832-T834 PolarHBondContact O-N 3.04Å; T834-S943 WeakPolarHBondContact O-CB 3.29Å
835	D	44.2	Very low	45.6	Very low	36 Å²	36	61.4 Å²	61.4	19%	0.193	41%	0.413	C	S	.	.			trans	-66.6	130.1	-174.5	-172.8	-35.1	0	0	0	112.6	R837 Q842	D835-R837 PolarHBondContact O-N 3.06Å; D835-R837 VanDerWaalsContact OD1-CB 3.24Å; D835-R837 WeakPolarHBondContact OD1-CB 3.42Å; D835-R837 VanDerWaalsContact OD1-CG 3.27Å; D835-R837 WeakPolarHBondContact OD1-CG 3.43Å; D835-R837 IonicContact OD1-CZ 2.74Å; D835-R837 PolarHBondContact OD1-N 3.29Å; D835-R837 IonicContact OD1-NE 3.51Å; D835-R837 PolarHBondContact OD1-NE 3.44Å; D835-R837 IonicContact OD1-NH2 2.81Å; D835-R837 IonicContact OD2-CZ 3.23Å; D835-R837 VanDerWaalsContact OD2-CZ 3.29Å; D835-R837 IonicContact OD2-NE 2.73Å; D835-R837 PolarHBondContact OD2-NE 2.96Å; D835-R837 VanDerWaalsContact OD2-NE 3.13Å; D835-R837 IonicContact OD2-NH2 2.83Å; D835-R837 PolarHBondContact OD2-NH2 3.4Å; D835-Q842 HydrophobicContact CB-CG 4.41Å
836	P	44.4	Very low	46.6	Very low	75 Å²	75	60 Å²	60	49%	0.487	41%	0.407	S	S	.	.	S	Bend	trans	-70.8	-10.3	-177	33.3	-40.9	0	0	0	113.8	S943 N944	P836-S943 WeakPolarHBondContact CD-O 3.43Å; P836-N944 HydrophobicContact CG-CB 4.47Å; P836-N944 VanDerWaalsContact CG-OD1 3.28Å; P836-N944 WeakPolarHBondContact CG-OD1 3.38Å
837	R	61.1	Low	48.2	Very low	16 Å²	16	57.1 Å²	57.1	6%	0.06	38%	0.38	C	S	.	.	S	Bend	trans	-82.4	148.5	179.7	-58.4	173.6	-64.5	155.8	14.3	110.1	D835 T841 Q842 D845 Y873 Q874	D835-R837 PolarHBondContact O-N 3.06Å; D835-R837 VanDerWaalsContact OD1-CB 3.24Å; D835-R837 WeakPolarHBondContact OD1-CB 3.42Å; D835-R837 VanDerWaalsContact OD1-CG 3.27Å; D835-R837 WeakPolarHBondContact OD1-CG 3.43Å; D835-R837 IonicContact OD1-CZ 2.74Å; D835-R837 PolarHBondContact OD1-N 3.29Å; D835-R837 IonicContact OD1-NE 3.51Å; D835-R837 PolarHBondContact OD1-NE 3.44Å; D835-R837 IonicContact OD1-NH2 2.81Å; D835-R837 IonicContact OD2-CZ 3.23Å; D835-R837 VanDerWaalsContact OD2-CZ 3.29Å; D835-R837 IonicContact OD2-NE 2.73Å; D835-R837 PolarHBondContact OD2-NE 2.96Å; D835-R837 VanDerWaalsContact OD2-NE 3.13Å; D835-R837 IonicContact OD2-NH2 2.83Å; D835-R837 PolarHBondContact OD2-NH2 3.4Å; R837-T841 HydrophobicContact CB-CG2 4.31Å; R837-Q842 HydrophobicContact CB-CG 4.33Å; R837-Q842 PolarHBondContact O-NE2 3.46Å; R837-D845 IonicContact CZ-OD2 3.97Å; R837-D845 IonicContact NH1-OD2 2.75Å; R837-D845 PolarHBondContact NH1-OD2 2.96Å; R837-Y873 VanDerWaalsContact CD-CZ 3.48Å; R837-Y873 VanDerWaalsContact NE-CE2 3.32Å; R837-Y873 VanDerWaalsContact NH1-CG 3.3Å; R837-Q874 HydrophobicContact CG-CG 4.5Å
838	S	53.5	Low	50.6	Low	71 Å²	71	55.5 Å²	55.5	50%	0.497	37%	0.366	S	S	.	.			trans	-54.4	147.6	177	79.8	0	0	0	0	110.9	G840 T841 Q842	S838-G840 PolarHBondContact O-N 3.25Å; S838-T841 PolarHBondContact O-N 3.24Å; S838-T841 PolarHBondContact OG-N 3.32Å; S838-T841 PolarHBondContact OG-OG1 3.28Å; S838-Q842 PolarHBondContact O-N 2.87Å
839	V	43.9	Very low	52.8	Low	107 Å²	107	53.4 Å²	53.4	65%	0.648	35%	0.352	S	S	*	.	H	α-helix	trans	-53.9	-38.3	175.9	176.9	0	0	0	0	110.5	Q842 V843	V839-Q842 PolarHBondContact O-N 3.16Å; V839-V843 HydrophobicContact CG1-CG2 4.38Å; V839-V843 VanDerWaalsContact O-CG2 3.31Å; V839-V843 WeakPolarHBondContact O-CG2 3.24Å; V839-V843 PolarHBondContact O-N 3.46Å
840	G	48.3	Very low	54.6	Low	24 Å²	24	52.8 Å²	52.8	25%	0.247	34%	0.336	C	S	.	.	H	α-helix	trans	-55.9	-52.4	172.8	0	0	0	0	0	112.4	S838 Q842 V843 D844	S838-G840 PolarHBondContact O-N 3.25Å; G840-Q842 VanDerWaalsContact C-N 3.28Å; G840-Q842 PolarHBondContact O-N 2.94Å; G840-V843 CarbonylContact O-C 3.48Å; G840-V843 PolarHBondContact O-N 3.41Å; G840-V843 VanDerWaalsContact O-N 3.08Å; G840-D844 WeakPolarHBondContact O-CB 3.4Å; G840-D844 PolarHBondContact O-N 2.96Å
841	T	67.1	Low	57.1	Low	37 Å²	37	52.7 Å²	52.7	23%	0.227	33%	0.325	C	S	.	.	H	α-helix	trans	-60.7	-34.9	177.4	-48.6	0	0	0	0	113.1	R837 S838 D845 Q874	R837-T841 HydrophobicContact CB-CG2 4.31Å; S838-T841 PolarHBondContact O-N 3.24Å; S838-T841 PolarHBondContact OG-N 3.32Å; S838-T841 PolarHBondContact OG-OG1 3.28Å; T841-D845 WeakPolarHBondContact O-CB 3.48Å; T841-D845 PolarHBondContact O-N 3.42Å; T841-Q874 HydrophobicContact CG2-CG 4.21Å
842	Q	52.9	Low	59.8	Low	23 Å²	23	47.8 Å²	47.8	11%	0.107	30%	0.304	C	S	.	.	H	α-helix	trans	-69.3	-37.9	176.4	-65.5	179	52.4	0	0	112.1	D835 R837 S838 V839 G840 G846	D835-Q842 HydrophobicContact CB-CG 4.41Å; R837-Q842 HydrophobicContact CB-CG 4.33Å; R837-Q842 PolarHBondContact O-NE2 3.46Å; S838-Q842 PolarHBondContact O-N 2.87Å; V839-Q842 PolarHBondContact O-N 3.16Å; G840-Q842 VanDerWaalsContact C-N 3.28Å; G840-Q842 PolarHBondContact O-N 2.94Å; Q842-G846 PolarHBondContact O-N 2.77Å
843	V	50.6	Low	62.2	Low	43 Å²	43	47.6 Å²	47.6	26%	0.261	29%	0.293	S	S	.	.	H	α-helix	trans	-69.7	-42.2	174.4	171.9	0	0	0	0	110.7	V839 G840 D845 G846 T847	V839-V843 HydrophobicContact CG1-CG2 4.38Å; V839-V843 VanDerWaalsContact O-CG2 3.31Å; V839-V843 WeakPolarHBondContact O-CG2 3.24Å; V839-V843 PolarHBondContact O-N 3.46Å; G840-V843 CarbonylContact O-C 3.48Å; G840-V843 PolarHBondContact O-N 3.41Å; G840-V843 VanDerWaalsContact O-N 3.08Å; V843-D845 PolarHBondContact O-N 3.4Å; V843-G846 PolarHBondContact O-N 3.19Å; V843-T847 VanDerWaalsContact O-CB 3.29Å; V843-T847 WeakPolarHBondContact O-CB 3.49Å; V843-T847 PolarHBondContact O-N 2.94Å; V843-T847 PolarHBondContact O-OG1 3.34Å
844	D	67.6	Low	64.3	Low	73 Å²	73	44.6 Å²	44.6	39%	0.39	27%	0.265	S	S	.	.	H	α-helix	trans	-57.2	-48.8	175.1	-70.9	-32.6	0	0	0	111	G840 T847 L848	G840-D844 WeakPolarHBondContact O-CB 3.4Å; G840-D844 PolarHBondContact O-N 2.96Å; D844-T847 PolarHBondContact O-N 3.26Å; D844-L848 WeakPolarHBondContact O-CB 3.41Å; D844-L848 PolarHBondContact O-N 3.22Å
845	D	76.5	Confident	66.7	Low	3 Å²	3	41.1 Å²	41.1	2%	0.016	25%	0.246	C	C	.	.	H	α-helix	trans	-68.3	-38.4	178.6	-75.4	-33.4	0	0	0	112.4	R837 T841 V843 L848 E849 A872 Y873 Q874 G875	R837-D845 IonicContact CZ-OD2 3.97Å; R837-D845 IonicContact NH1-OD2 2.75Å; R837-D845 PolarHBondContact NH1-OD2 2.96Å; T841-D845 WeakPolarHBondContact O-CB 3.48Å; T841-D845 PolarHBondContact O-N 3.42Å; V843-D845 PolarHBondContact O-N 3.4Å; D845-L848 PolarHBondContact O-N 3.44Å; D845-E849 WeakPolarHBondContact O-CG 3.44Å; D845-E849 PolarHBondContact O-N 2.91Å; D845-A872 HydrophobicContact CB-CB 3.93Å; D845-A872 WeakPolarHBondContact O-CB 3.44Å; D845-Y873 WeakPolarHBondContact OD2-CA 3.43Å; D845-Q874 VanDerWaalsContact CG-N 3.27Å; D845-Q874 PolarHBondContact OD1-N 2.88Å; D845-Q874 VanDerWaalsContact OD1-N 3.07Å; D845-Q874 PolarHBondContact OD2-N 3.23Å; D845-G875 PolarHBondContact OD1-N 3.05Å
846	G	67.2	Low	68.8	Low	16 Å²	16	39.7 Å²	39.7	17%	0.165	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-44.1	173.4	0	0	0	0	0	111.9	Q842 V843 L848 E849 V850	Q842-G846 PolarHBondContact O-N 2.77Å; V843-G846 PolarHBondContact O-N 3.19Å; G846-L848 VanDerWaalsContact C-N 3.35Å; G846-E849 WeakPolarHBondContact O-CB 3.23Å; G846-E849 PolarHBondContact O-N 2.93Å; G846-V850 WeakPolarHBondContact O-CG2 3.33Å; G846-V850 PolarHBondContact O-N 3.35Å; G846-V850 VanDerWaalsContact O-N 3.14Å
847	T	67.8	Low	70.7	Confident	30 Å²	30	38.9 Å²	38.9	18%	0.184	24%	0.235	C	C	.	.	H	α-helix	trans	-66.6	-38.1	176.1	-54.9	0	0	0	0	111	V843 D844 V850 R851	V843-T847 VanDerWaalsContact O-CB 3.29Å; V843-T847 WeakPolarHBondContact O-CB 3.49Å; V843-T847 PolarHBondContact O-N 2.94Å; V843-T847 PolarHBondContact O-OG1 3.34Å; D844-T847 PolarHBondContact O-N 3.26Å; T847-V850 PolarHBondContact O-N 2.9Å; T847-R851 HydrophobicContact CG2-CG 4.44Å; T847-R851 WeakPolarHBondContact O-CB 3.11Å; T847-R851 VanDerWaalsContact O-CG 3.29Å; T847-R851 WeakPolarHBondContact O-CG 3.23Å; T847-R851 PolarHBondContact O-N 3.36Å
848	L	84.7	Confident	72	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-63.2	-45.4	174.1	-179	59.3	0	0	0	111.5	D844 D845 G846 V850 R851 V852 A872 V877 V899 G901 A902	D844-L848 WeakPolarHBondContact O-CB 3.41Å; D844-L848 PolarHBondContact O-N 3.22Å; D845-L848 PolarHBondContact O-N 3.44Å; G846-L848 VanDerWaalsContact C-N 3.35Å; L848-V850 VanDerWaalsContact C-N 3.29Å; L848-V850 PolarHBondContact O-N 3.46Å; L848-R851 PolarHBondContact O-N 3.07Å; L848-V852 HydrophobicContact CD1-CG2 4.03Å; L848-V852 HydrophobicContact CG-CG2 4.42Å; L848-V852 WeakPolarHBondContact O-CB 3.46Å; L848-V852 VanDerWaalsContact O-CG2 3.27Å; L848-V852 WeakPolarHBondContact O-CG2 3.42Å; L848-V852 PolarHBondContact O-N 3.43Å; L848-A872 HydrophobicContact CB-CB 4.36Å; L848-A872 HydrophobicContact CD2-CB 4.03Å; L848-A872 HydrophobicContact CG-CB 4.28Å; L848-V877 HydrophobicContact CD1-CG2 4.48Å; L848-V877 HydrophobicContact CD2-CG2 3.75Å; L848-V877 HydrophobicContact CG-CG2 4.03Å; L848-V899 HydrophobicContact CD1-CG1 3.84Å; L848-G901 VanDerWaalsContact CD2-O 3.29Å; L848-G901 WeakPolarHBondContact CD2-O 3.27Å; L848-A902 HydrophobicContact CD1-CB 4.14Å
849	E	79.9	Confident	73.9	Confident	29 Å²	29	43.7 Å²	43.7	14%	0.136	25%	0.248	C	C	.	.	H	α-helix	trans	-54.9	-45.6	174	-78.5	167.7	-167.3	0	0	111.7	K831 D845 G846 N853 V870 A872 K946	K831-E849 VanDerWaalsContact NZ-CD 3.29Å; K831-E849 IonicContact NZ-OE1 3.48Å; K831-E849 PolarHBondContact NZ-OE1 2.93Å; K831-E849 VanDerWaalsContact NZ-OE1 3.14Å; K831-E849 IonicContact NZ-OE2 2.64Å; K831-E849 PolarHBondContact NZ-OE2 3.01Å; D845-E849 WeakPolarHBondContact O-CG 3.44Å; D845-E849 PolarHBondContact O-N 2.91Å; G846-E849 WeakPolarHBondContact O-CB 3.23Å; G846-E849 PolarHBondContact O-N 2.93Å; E849-N853 VanDerWaalsContact O-CB 3.31Å; E849-N853 WeakPolarHBondContact O-CB 3.41Å; E849-N853 PolarHBondContact O-N 3.48Å; E849-N853 PolarHBondContact O-ND2 3.38Å; E849-V870 HydrophobicContact CG-CG1 4.32Å; E849-A872 HydrophobicContact CG-CB 3.67Å; E849-A872 PolarHBondContact OE1-N 3.36Å; E849-K946 IonicContact OE1-NZ 3.48Å; E849-K946 PolarHBondContact OE1-NZ 3.41Å
850	V	68.4	Low	75.9	Confident	50 Å²	50	44.8 Å²	44.8	30%	0.303	25%	0.246	S	C	.	.	H	α-helix	trans	-65.7	-47	177.5	175.2	0	0	0	0	111.4	A827 G846 T847 L848 V852 N853 S854	A827-V850 HydrophobicContact CB-CB 4.21Å; A827-V850 HydrophobicContact CB-CG1 3.55Å; A827-V850 HydrophobicContact CB-CG2 3.88Å; A827-V850 WeakPolarHBondContact O-CG2 3.42Å; G846-V850 WeakPolarHBondContact O-CG2 3.33Å; G846-V850 PolarHBondContact O-N 3.35Å; G846-V850 VanDerWaalsContact O-N 3.14Å; T847-V850 PolarHBondContact O-N 2.9Å; L848-V850 VanDerWaalsContact C-N 3.29Å; L848-V850 PolarHBondContact O-N 3.46Å; V850-V852 VanDerWaalsContact C-N 3.3Å; V850-V852 PolarHBondContact O-N 3.16Å; V850-N853 PolarHBondContact O-N 3.24Å; V850-S854 VanDerWaalsContact O-CB 3.27Å; V850-S854 WeakPolarHBondContact O-CB 3.3Å; V850-S854 PolarHBondContact O-N 3.06Å
851	R	81	Confident	77.8	Confident	86 Å²	86	47 Å²	47	33%	0.325	25%	0.25	S	S	.	.	H	α-helix	trans	-60.9	-41.6	-179.3	-75.2	-175.8	-71.9	179.3	-4	111	T847 L848 S854 A855 V899 D900	T847-R851 HydrophobicContact CG2-CG 4.44Å; T847-R851 WeakPolarHBondContact O-CB 3.11Å; T847-R851 VanDerWaalsContact O-CG 3.29Å; T847-R851 WeakPolarHBondContact O-CG 3.23Å; T847-R851 PolarHBondContact O-N 3.36Å; L848-R851 PolarHBondContact O-N 3.07Å; R851-S854 PolarHBondContact O-N 3.36Å; R851-A855 VanDerWaalsContact O-CB 3.29Å; R851-A855 WeakPolarHBondContact O-CB 3.09Å; R851-A855 PolarHBondContact O-N 3.33Å; R851-V899 HydrophobicContact CB-CG1 3.48Å; R851-V899 VanDerWaalsContact CB-CG1 3.48Å; R851-D900 PolarHBondContact NH1-O 2.89Å; R851-D900 IonicContact NH1-OD2 2.77Å; R851-D900 PolarHBondContact NH1-OD2 3.22Å; R851-D900 PolarHBondContact NH2-O 2.92Å
852	V	88	Confident	79	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.3	-48.8	174	176	0	0	0	0	111.1	L848 V850 S854 A855 L856 V870 V877 L879 A896 V899	L848-V852 HydrophobicContact CD1-CG2 4.03Å; L848-V852 HydrophobicContact CG-CG2 4.42Å; L848-V852 WeakPolarHBondContact O-CB 3.46Å; L848-V852 VanDerWaalsContact O-CG2 3.27Å; L848-V852 WeakPolarHBondContact O-CG2 3.42Å; L848-V852 PolarHBondContact O-N 3.43Å; V850-V852 VanDerWaalsContact C-N 3.3Å; V850-V852 PolarHBondContact O-N 3.16Å; V852-S854 VanDerWaalsContact C-N 3.31Å; V852-S854 PolarHBondContact O-N 3.29Å; V852-A855 PolarHBondContact O-N 3.3Å; V852-L856 HydrophobicContact CG1-CD1 3.9Å; V852-L856 HydrophobicContact CG1-CG 4.3Å; V852-L856 WeakPolarHBondContact O-CB 3.46Å; V852-L856 VanDerWaalsContact O-CG 3.26Å; V852-L856 WeakPolarHBondContact O-CG 3.32Å; V852-L856 PolarHBondContact O-N 3.21Å; V852-V870 HydrophobicContact CB-CG1 3.92Å; V852-V870 HydrophobicContact CG1-CB 4.43Å; V852-V870 HydrophobicContact CG1-CG1 3.72Å; V852-V870 HydrophobicContact CG1-CG2 3.81Å; V852-V877 HydrophobicContact CG1-CG1 4.38Å; V852-V877 HydrophobicContact CG2-CG1 4.47Å; V852-V877 HydrophobicContact CG2-CG2 4.33Å; V852-L879 HydrophobicContact CG1-CD2 4.18Å; V852-A896 HydrophobicContact CG1-CB 3.77Å; V852-A896 HydrophobicContact CG2-CB 4.48Å; V852-V899 HydrophobicContact CG2-CB 3.92Å; V852-V899 HydrophobicContact CG2-CG1 3.95Å; V852-V899 HydrophobicContact CG2-CG2 3.99Å
853	N	85	Confident	80.6	Confident	67 Å²	67	50.8 Å²	50.8	36%	0.358	26%	0.264	S	S	.	.	H	α-helix	trans	-58.7	-42.1	176	-83.2	-44.2	0	0	0	112.4	E849 V850 L856 S857 V870	E849-N853 VanDerWaalsContact O-CB 3.31Å; E849-N853 WeakPolarHBondContact O-CB 3.41Å; E849-N853 PolarHBondContact O-N 3.48Å; E849-N853 PolarHBondContact O-ND2 3.38Å; V850-N853 PolarHBondContact O-N 3.24Å; N853-L856 PolarHBondContact O-N 2.81Å; N853-S857 VanDerWaalsContact O-CB 3.28Å; N853-S857 WeakPolarHBondContact O-CB 3.41Å; N853-S857 PolarHBondContact O-N 3.27Å; N853-S857 PolarHBondContact O-OG 2.9Å; N853-V870 WeakPolarHBondContact OD1-CG2 3.46Å
854	S	77.4	Confident	82.3	Confident	50 Å²	50	57 Å²	57	35%	0.35	29%	0.287	S	S	.	.	H	α-helix	trans	-63.3	-46.5	176.5	-176.1	0	0	0	0	111.1	V850 R851 V852 L856 S857 K858	V850-S854 VanDerWaalsContact O-CB 3.27Å; V850-S854 WeakPolarHBondContact O-CB 3.3Å; V850-S854 PolarHBondContact O-N 3.06Å; R851-S854 PolarHBondContact O-N 3.36Å; V852-S854 VanDerWaalsContact C-N 3.31Å; V852-S854 PolarHBondContact O-N 3.29Å; S854-L856 PolarHBondContact O-N 3.43Å; S854-S857 WeakPolarHBondContact CA-OG 3.39Å; S854-S857 PolarHBondContact O-N 2.9Å; S854-S857 PolarHBondContact O-OG 2.72Å; S854-K858 WeakPolarHBondContact O-CG 3.46Å; S854-K858 PolarHBondContact O-N 3.3Å
855	A	90.3	Very high	83.3	Confident	25 Å²	25	57 Å²	57	21%	0.207	29%	0.285	C	S	.	.	H	α-helix	trans	-61.8	-41.9	177.1	0	0	0	0	0	111.9	R851 V852 K858 I895 V899	R851-A855 VanDerWaalsContact O-CB 3.29Å; R851-A855 WeakPolarHBondContact O-CB 3.09Å; R851-A855 PolarHBondContact O-N 3.33Å; V852-A855 PolarHBondContact O-N 3.3Å; A855-K858 PolarHBondContact O-N 3.38Å; A855-I895 HydrophobicContact CB-CG2 3.49Å; A855-I895 VanDerWaalsContact CB-CG2 3.49Å; A855-V899 HydrophobicContact CB-CG2 3.73Å
856	L	90	Very high	84	Confident	6 Å²	6	57.6 Å²	57.6	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-65.2	-41.3	174.8	-68.6	173.2	0	0	0	112	V852 N853 S854 K858 D859 I862 I868 V870 L879 A892 I895	V852-L856 HydrophobicContact CG1-CD1 3.9Å; V852-L856 HydrophobicContact CG1-CG 4.3Å; V852-L856 WeakPolarHBondContact O-CB 3.46Å; V852-L856 VanDerWaalsContact O-CG 3.26Å; V852-L856 WeakPolarHBondContact O-CG 3.32Å; V852-L856 PolarHBondContact O-N 3.21Å; N853-L856 PolarHBondContact O-N 2.81Å; S854-L856 PolarHBondContact O-N 3.43Å; L856-K858 PolarHBondContact O-N 2.89Å; L856-D859 PolarHBondContact O-N 3.42Å; L856-D859 VanDerWaalsContact O-N 3.11Å; L856-I862 HydrophobicContact CB-CG2 4.43Å; L856-I862 HydrophobicContact CD2-CD1 4.03Å; L856-I868 HydrophobicContact CD1-CB 4.45Å; L856-I868 HydrophobicContact CD1-CG2 3.97Å; L856-V870 HydrophobicContact CD1-CG2 3.78Å; L856-L879 HydrophobicContact CD1-CD2 4.37Å; L856-A892 HydrophobicContact CD2-CB 3.69Å; L856-I895 HydrophobicContact CD2-CB 4.03Å; L856-I895 HydrophobicContact CD2-CD1 4.36Å; L856-I895 HydrophobicContact CD2-CG2 3.94Å; L856-I895 HydrophobicContact CG-CG2 4.32Å
857	S	83.4	Confident	85	Confident	58 Å²	58	60.8 Å²	60.8	41%	0.406	30%	0.297	S	S	.	.	H	α-helix	trans	-68	-17.6	-179	74	0	0	0	0	114.3	N853 S854 D859	N853-S857 VanDerWaalsContact O-CB 3.28Å; N853-S857 WeakPolarHBondContact O-CB 3.41Å; N853-S857 PolarHBondContact O-N 3.27Å; N853-S857 PolarHBondContact O-OG 2.9Å; S854-S857 WeakPolarHBondContact CA-OG 3.39Å; S854-S857 PolarHBondContact O-N 2.9Å; S854-S857 PolarHBondContact O-OG 2.72Å; S857-D859 VanDerWaalsContact C-N 3.34Å
858	K	88.3	Confident	86.1	Confident	161 Å²	161	60.4 Å²	60.4	70%	0.7	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-18.1	173.9	-72	171.8	-175.6	177.6	0	112.8	S854 A855 L856 E860	S854-K858 WeakPolarHBondContact O-CG 3.46Å; S854-K858 PolarHBondContact O-N 3.3Å; A855-K858 PolarHBondContact O-N 3.38Å; L856-K858 PolarHBondContact O-N 2.89Å; K858-E860 PolarHBondContact O-N 2.95Å
859	D	92.6	Very high	86.1	Confident	27 Å²	27	63.1 Å²	63.1	14%	0.144	31%	0.308	C	S	.	.	S	Bend	trans	-85.3	108.9	171.3	-173.4	-62.1	0	0	0	109.2	L856 S857 Q861 I862 K863 R891 I895	L856-D859 PolarHBondContact O-N 3.42Å; L856-D859 VanDerWaalsContact O-N 3.11Å; S857-D859 VanDerWaalsContact C-N 3.34Å; D859-Q861 PolarHBondContact O-N 2.99Å; D859-Q861 WeakPolarHBondContact OD1-CA 3.2Å; D859-Q861 WeakPolarHBondContact OD1-CB 3.46Å; D859-Q861 PolarHBondContact OD1-N 3.36Å; D859-I862 HydrophobicContact CB-CB 4.11Å; D859-I862 HydrophobicContact CB-CD1 3.95Å; D859-I862 HydrophobicContact CB-CG1 4.1Å; D859-I862 PolarHBondContact O-N 2.95Å; D859-I862 PolarHBondContact OD1-N 3.46Å; D859-K863 WeakPolarHBondContact O-CB 3.36Å; D859-K863 PolarHBondContact O-N 2.83Å; D859-R891 IonicContact OD1-NH1 3.67Å; D859-R891 WeakPolarHBondContact OD2-CD 3.24Å; D859-R891 IonicContact OD2-CZ 3.56Å; D859-R891 IonicContact OD2-NE 3.5Å; D859-R891 IonicContact OD2-NH1 3.95Å; D859-R891 PolarHBondContact OD2-NH1 3.2Å; D859-I895 HydrophobicContact CB-CD1 3.95Å
860	E	86.5	Confident	86.5	Confident	130 Å²	130	62.4 Å²	62.4	61%	0.607	31%	0.306	S	S	*	.	H	α-helix	trans	-59.8	-29	-176.9	-74.8	-63.9	139.6	0	0	113.4	K858 K863 K864	K858-E860 PolarHBondContact O-N 2.95Å; E860-K863 IonicContact OE1-NZ 2.92Å; E860-K864 WeakPolarHBondContact O-CB 3.36Å; E860-K864 PolarHBondContact O-N 3Å
861	Q	89.4	Confident	87.5	Confident	71 Å²	71	60.4 Å²	60.4	33%	0.332	29%	0.294	S	S	.	.	H	α-helix	trans	-78.8	-41.8	-179.5	-160.2	-179.9	-9.8	0	0	110.9	D859 K864 E865 L888	D859-Q861 PolarHBondContact O-N 2.99Å; D859-Q861 WeakPolarHBondContact OD1-CA 3.2Å; D859-Q861 WeakPolarHBondContact OD1-CB 3.46Å; D859-Q861 PolarHBondContact OD1-N 3.36Å; Q861-K864 PolarHBondContact O-N 3.26Å; Q861-E865 PolarHBondContact NE2-OE2 3.41Å; Q861-E865 WeakPolarHBondContact O-CB 3.39Å; Q861-E865 PolarHBondContact O-N 3.13Å; Q861-L888 HydrophobicContact CB-CD2 3.93Å; Q861-L888 HydrophobicContact CG-CD1 4.15Å; Q861-L888 HydrophobicContact CG-CD2 3.76Å; Q861-L888 HydrophobicContact CG-CG 4.47Å
862	I	91.8	Very high	87.8	Confident	6 Å²	6	56.3 Å²	56.3	3%	0.031	28%	0.279	C	S	.	.	H	α-helix	trans	-60.8	-49	173	-67.7	177.3	0	0	0	110.4	L856 D859 K864 A866 I868 L888 R891 A892 I895	L856-I862 HydrophobicContact CB-CG2 4.43Å; L856-I862 HydrophobicContact CD2-CD1 4.03Å; D859-I862 HydrophobicContact CB-CB 4.11Å; D859-I862 HydrophobicContact CB-CD1 3.95Å; D859-I862 HydrophobicContact CB-CG1 4.1Å; D859-I862 PolarHBondContact O-N 2.95Å; D859-I862 PolarHBondContact OD1-N 3.46Å; I862-K864 PolarHBondContact O-N 3.25Å; I862-A866 HydrophobicContact CG2-CB 4.41Å; I862-A866 PolarHBondContact O-N 2.88Å; I862-I868 HydrophobicContact CG2-CD1 3.69Å; I862-L888 HydrophobicContact CG1-CD2 3.94Å; I862-R891 HydrophobicContact CD1-CG 4.44Å; I862-A892 HydrophobicContact CD1-CB 4.03Å; I862-I895 HydrophobicContact CD1-CD1 3.59Å
863	K	86.4	Confident	87.8	Confident	134 Å²	134	56.8 Å²	56.8	58%	0.583	28%	0.28	S	S	*	.	H	α-helix	trans	-58.4	-34.5	-179.6	-179.9	-178.6	174.3	-173.6	0	113.2	D859 E860	D859-K863 WeakPolarHBondContact O-CB 3.36Å; D859-K863 PolarHBondContact O-N 2.83Å; E860-K863 IonicContact OE1-NZ 2.92Å
864	K	85	Confident	87.9	Confident	172 Å²	172	57.1 Å²	57.1	75%	0.748	28%	0.28	S	S	*	.	H	α-helix	trans	-88.4	-37.1	-174.9	-173.5	-179.7	179	-173.2	0	113.3	E860 Q861 I862	E860-K864 WeakPolarHBondContact O-CB 3.36Å; E860-K864 PolarHBondContact O-N 3Å; Q861-K864 PolarHBondContact O-N 3.26Å; I862-K864 PolarHBondContact O-N 3.25Å
865	E	90.2	Very high	88.4	Confident	73 Å²	73	55.1 Å²	55.1	34%	0.341	27%	0.267	S	S	.	.	H	α-helix	trans	-114.4	-18.1	-165.4	-59	179.4	-173.2	0	0	114	Q861 P884 L888	Q861-E865 PolarHBondContact NE2-OE2 3.41Å; Q861-E865 WeakPolarHBondContact O-CB 3.39Å; Q861-E865 PolarHBondContact O-N 3.13Å; E865-P884 HydrophobicContact CB-CG 4.01Å; E865-P884 WeakPolarHBondContact O-CD 3.4Å; E865-L888 HydrophobicContact CB-CD1 4.26Å
866	A	89.9	Confident	88.6	Confident	16 Å²	16	57.6 Å²	57.6	13%	0.132	27%	0.273	C	S	.	.			trans	-116.5	150.7	-177.5	0	0	0	0	0	111.9	I862 I868 Q882	I862-A866 HydrophobicContact CG2-CB 4.41Å; I862-A866 PolarHBondContact O-N 2.88Å; A866-I868 HydrophobicContact CB-CD1 4.28Å; A866-I868 HydrophobicContact CB-CG1 4.13Å; A866-Q882 WeakPolarHBondContact CA-O 3.43Å
867	R	89.5	Confident	88.8	Confident	83 Å²	83	57.3 Å²	57.3	31%	0.313	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	116	165.9	173	-177.6	171.5	93.9	-0.3	106.7	G881 Q882 P914 E950	R867-G881 CarbonylContact O-C 3.59Å; R867-G881 WeakPolarHBondContact O-CA 3.31Å; R867-Q882 PolarHBondContact N-O 3.34Å; R867-Q882 PolarHBondContact O-N 3.07Å; R867-P914 HydrophobicContact CB-CB 3.88Å; R867-P914 HydrophobicContact CB-CG 4.26Å; R867-E950 IonicContact NE-OE1 2.91Å; R867-E950 PolarHBondContact NE-OE1 3.3Å
868	I	89.6	Confident	89.4	Confident	22 Å²	22	55 Å²	55	11%	0.113	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	120.4	-178.7	-54.2	179.4	0	0	0	108.3	L856 I862 A866 V870 L879 V880 A892 I909	L856-I868 HydrophobicContact CD1-CB 4.45Å; L856-I868 HydrophobicContact CD1-CG2 3.97Å; I862-I868 HydrophobicContact CG2-CD1 3.69Å; A866-I868 HydrophobicContact CB-CD1 4.28Å; A866-I868 HydrophobicContact CB-CG1 4.13Å; I868-V870 HydrophobicContact CG2-CG2 4.44Å; I868-L879 HydrophobicContact CG2-CB 4.27Å; I868-L879 HydrophobicContact CG2-CD2 4.19Å; I868-V880 CarbonylContact C-O 3.59Å; I868-V880 WeakPolarHBondContact CA-O 3.49Å; I868-A892 HydrophobicContact CD1-CB 3.44Å; I868-A892 VanDerWaalsContact CD1-CB 3.44Å; I868-I909 HydrophobicContact CD1-CD1 3.79Å; I868-I909 HydrophobicContact CG1-CD1 4.07Å; I868-I909 HydrophobicContact CG2-CD1 4.17Å
869	N	85.7	Confident	89.8	Confident	59 Å²	59	47.4 Å²	47.4	32%	0.316	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	128.9	171.7	-81.9	-26.4	0	0	0	108.9	V880 E950	N869-V880 HydrophobicContact CB-CG2 3.81Å; N869-V880 PolarHBondContact N-O 3.37Å; N869-V880 PolarHBondContact O-N 2.86Å; N869-E950 PolarHBondContact ND2-OE2 3.48Å
870	V	89.1	Confident	89.9	Confident	14 Å²	14	46.1 Å²	46.1	9%	0.085	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127	-176.8	-176.7	0	0	0	0	109.3	E849 V852 N853 L856 I868 V877 L879	E849-V870 HydrophobicContact CG-CG1 4.32Å; V852-V870 HydrophobicContact CB-CG1 3.92Å; V852-V870 HydrophobicContact CG1-CB 4.43Å; V852-V870 HydrophobicContact CG1-CG1 3.72Å; V852-V870 HydrophobicContact CG1-CG2 3.81Å; N853-V870 WeakPolarHBondContact OD1-CG2 3.46Å; L856-V870 HydrophobicContact CD1-CG2 3.78Å; I868-V870 HydrophobicContact CG2-CG2 4.44Å; V870-V877 HydrophobicContact CG1-CG1 3.84Å; V870-L879 HydrophobicContact CB-CD2 4.5Å; V870-L879 HydrophobicContact CG1-CD2 4.31Å; V870-L879 HydrophobicContact CG2-CD2 3.84Å
871	T	88.9	Confident	90.2	Very high	9 Å²	9	40 Å²	40	6%	0.055	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	122.8	173.9	-61.4	0	0	0	0	108.7	L878 K946 T948 M957	T871-L878 PolarHBondContact N-O 3.16Å; T871-L878 PolarHBondContact O-N 3.39Å; T871-K946 HydrophobicContact CG2-CD 3.66Å; T871-K946 VanDerWaalsContact CG2-CE 3.49Å; T871-K946 HydrophobicContact CG2-CG 4.31Å; T871-K946 VanDerWaalsContact CG2-NZ 3.34Å; T871-T948 PolarHBondContact OG1-OG1 3.41Å; T871-M957 HydrophobicContact CG2-SD 3.79Å
872	A	87.2	Confident	90.4	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	143.3	172.7	0	0	0	0	0	111.8	D845 L848 E849 K876 K946	D845-A872 HydrophobicContact CB-CB 3.93Å; D845-A872 WeakPolarHBondContact O-CB 3.44Å; L848-A872 HydrophobicContact CB-CB 4.36Å; L848-A872 HydrophobicContact CD2-CB 4.03Å; L848-A872 HydrophobicContact CG-CB 4.28Å; E849-A872 HydrophobicContact CG-CB 3.67Å; E849-A872 PolarHBondContact OE1-N 3.36Å; A872-K876 CarbonylContact C-O 3.54Å; A872-K876 VanDerWaalsContact CA-O 3.31Å; A872-K876 WeakPolarHBondContact CA-O 3.38Å; A872-K946 PolarHBondContact O-NZ 3.14Å
873	Y	88.3	Confident	90.4	Very high	9 Å²	9	36.7 Å²	36.7	4%	0.035	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	111.3	173	-164.7	-81.9	0	0	0	110.3	R837 D845 K876 N944 K946 M957 L959	R837-Y873 VanDerWaalsContact CD-CZ 3.48Å; R837-Y873 VanDerWaalsContact NE-CE2 3.32Å; R837-Y873 VanDerWaalsContact NH1-CG 3.3Å; D845-Y873 WeakPolarHBondContact OD2-CA 3.43Å; Y873-K876 PolarHBondContact N-O 3.4Å; Y873-K876 WeakPolarHBondContact O-CB 3.45Å; Y873-K876 PolarHBondContact O-N 3.12Å; Y873-N944 PolarHBondContact OH-O 3.09Å; Y873-K946 HydrophobicContact CD2-CB 3.98Å; Y873-K946 HydrophobicContact CD2-CD 4.13Å; Y873-K946 HydrophobicContact CE2-CB 4.28Å; Y873-M957 HydrophobicContact CD2-CB 4.49Å; Y873-M957 HydrophobicContact CG-CB 4.22Å; Y873-L959 HydrophobicContact CE1-CG 4.17Å; Y873-L959 PolarHBondContact OH-N 3.18Å
874	Q	86.5	Confident	90.7	Very high	74 Å²	74	32.1 Å²	32.1	35%	0.346	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	46.5	-174.6	-60.2	-162.3	-44.7	0	0	113.9	R837 T841 D845 K876 L959	R837-Q874 HydrophobicContact CG-CG 4.5Å; T841-Q874 HydrophobicContact CG2-CG 4.21Å; D845-Q874 VanDerWaalsContact CG-N 3.27Å; D845-Q874 PolarHBondContact OD1-N 2.88Å; D845-Q874 VanDerWaalsContact OD1-N 3.07Å; D845-Q874 PolarHBondContact OD2-N 3.23Å; Q874-K876 PolarHBondContact O-N 3.31Å; Q874-K876 VanDerWaalsContact O-N 3.11Å; Q874-L959 VanDerWaalsContact OE1-CD2 3.31Å
875	G	88.3	Confident	91	Very high	8 Å²	8	26.1 Å²	26.1	8%	0.082	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	-2.5	-178	0	0	0	0	0	114.4	D845 N903	D845-G875 PolarHBondContact OD1-N 3.05Å; G875-N903 PolarHBondContact O-N 3.39Å
876	K	93.4	Very high	91	Very high	78 Å²	78	26.1 Å²	26.1	34%	0.339	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	125.3	170.7	-58.9	-179.4	174.9	-121.5	0	109	A872 Y873 Q874 E904 Y906 M957	A872-K876 CarbonylContact C-O 3.54Å; A872-K876 VanDerWaalsContact CA-O 3.31Å; A872-K876 WeakPolarHBondContact CA-O 3.38Å; Y873-K876 PolarHBondContact N-O 3.4Å; Y873-K876 WeakPolarHBondContact O-CB 3.45Å; Y873-K876 PolarHBondContact O-N 3.12Å; Q874-K876 PolarHBondContact O-N 3.31Å; Q874-K876 VanDerWaalsContact O-N 3.11Å; K876-E904 CarbonylContact C-O 3.55Å; K876-E904 WeakPolarHBondContact CA-O 3.39Å; K876-E904 WeakPolarHBondContact CE-OE2 3.38Å; K876-E904 HydrophobicContact CG-CB 4.19Å; K876-E904 IonicContact NZ-OE2 3.38Å; K876-E904 PolarHBondContact NZ-OE2 3.09Å; K876-Y906 HydrophobicContact CB-CE2 4.09Å; K876-Y906 HydrophobicContact CD-CE2 4.12Å; K876-Y906 HydrophobicContact CG-CE2 4.46Å; K876-Y906 PolarHBondContact NZ-OH 3.09Å; K876-M957 HydrophobicContact CB-CE 4.05Å; K876-M957 WeakPolarHBondContact O-CE 3.37Å
877	V	95	Very high	91.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.4	-178.2	-179.7	0	0	0	0	109.1	L848 V852 V870 L879 A902 E904 V905 Y906	L848-V877 HydrophobicContact CD1-CG2 4.48Å; L848-V877 HydrophobicContact CD2-CG2 3.75Å; L848-V877 HydrophobicContact CG-CG2 4.03Å; V852-V877 HydrophobicContact CG1-CG1 4.38Å; V852-V877 HydrophobicContact CG2-CG1 4.47Å; V852-V877 HydrophobicContact CG2-CG2 4.33Å; V870-V877 HydrophobicContact CG1-CG1 3.84Å; V877-L879 HydrophobicContact CG1-CD2 3.85Å; V877-L879 HydrophobicContact CG1-CG 4.34Å; V877-A902 HydrophobicContact CG2-CB 4.01Å; V877-E904 PolarHBondContact N-O 3.23Å; V877-V905 HydrophobicContact CB-CG2 4.25Å; V877-V905 CarbonylContact O-C 3.55Å; V877-V905 WeakPolarHBondContact O-CA 3.34Å; V877-Y906 PolarHBondContact O-N 3.13Å
878	L	96	Very high	91.3	Very high	10 Å²	10	29 Å²	29	5%	0.052	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122.5	169.3	171.6	67	0	0	0	108.7	T871 V880 E908 F955 M957	T871-L878 PolarHBondContact N-O 3.16Å; T871-L878 PolarHBondContact O-N 3.39Å; L878-V880 HydrophobicContact CD1-CG1 3.88Å; L878-V880 HydrophobicContact CD2-CG1 4.01Å; L878-V880 HydrophobicContact CG-CG1 3.81Å; L878-E908 HydrophobicContact CD1-CB 4.08Å; L878-E908 HydrophobicContact CD1-CG 3.75Å; L878-F955 HydrophobicContact CD1-CD1 4.36Å; L878-F955 HydrophobicContact CD2-CB 3.59Å; L878-F955 HydrophobicContact CD2-CD1 4.2Å; L878-F955 HydrophobicContact CD2-CG 3.98Å; L878-M957 HydrophobicContact CB-CE 4.37Å; L878-M957 HydrophobicContact CB-SD 3.59Å; L878-M957 VanDerWaalsContact CB-SD 3.59Å; L878-M957 HydrophobicContact CD2-CG 4.31Å; L878-M957 HydrophobicContact CD2-SD 4.02Å; L878-M957 HydrophobicContact CG-SD 4.46Å
879	L	96.2	Very high	91.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	118.5	171.2	-54.9	179.6	0	0	0	108.7	V852 L856 I868 V870 V877 A892 A896 V905 Y906 E908 I909	V852-L879 HydrophobicContact CG1-CD2 4.18Å; L856-L879 HydrophobicContact CD1-CD2 4.37Å; I868-L879 HydrophobicContact CG2-CB 4.27Å; I868-L879 HydrophobicContact CG2-CD2 4.19Å; V870-L879 HydrophobicContact CB-CD2 4.5Å; V870-L879 HydrophobicContact CG1-CD2 4.31Å; V870-L879 HydrophobicContact CG2-CD2 3.84Å; V877-L879 HydrophobicContact CG1-CD2 3.85Å; V877-L879 HydrophobicContact CG1-CG 4.34Å; L879-A892 HydrophobicContact CD1-CB 4.4Å; L879-A896 HydrophobicContact CD1-CB 4Å; L879-A896 HydrophobicContact CD2-CB 4.34Å; L879-V905 HydrophobicContact CD1-CG1 3.81Å; L879-V905 HydrophobicContact CG-CG1 4.03Å; L879-Y906 PolarHBondContact N-O 2.92Å; L879-E908 CarbonylContact O-C 3.57Å; L879-E908 WeakPolarHBondContact O-CA 3.29Å; L879-E908 PolarHBondContact O-N 3.02Å; L879-I909 HydrophobicContact CB-CD1 4.05Å; L879-I909 HydrophobicContact CB-CG1 4.05Å; L879-I909 HydrophobicContact CD1-CD1 4.44Å; L879-I909 PolarHBondContact O-N 2.88Å
880	V	94.5	Very high	92	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	156.8	174.8	-66.5	0	0	0	0	109.7	I868 N869 L878 E908 T948 E950 F955	I868-V880 CarbonylContact C-O 3.59Å; I868-V880 WeakPolarHBondContact CA-O 3.49Å; N869-V880 HydrophobicContact CB-CG2 3.81Å; N869-V880 PolarHBondContact N-O 3.37Å; N869-V880 PolarHBondContact O-N 2.86Å; L878-V880 HydrophobicContact CD1-CG1 3.88Å; L878-V880 HydrophobicContact CD2-CG1 4.01Å; L878-V880 HydrophobicContact CG-CG1 3.81Å; V880-E908 HydrophobicContact CG1-CB 3.89Å; V880-T948 HydrophobicContact CG2-CG2 3.93Å; V880-E950 HydrophobicContact CB-CB 4.15Å; V880-E950 HydrophobicContact CB-CG 4.34Å; V880-E950 HydrophobicContact CG2-CB 4.08Å; V880-E950 HydrophobicContact CG2-CG 4.43Å; V880-F955 HydrophobicContact CB-CE2 4.22Å; V880-F955 HydrophobicContact CG1-CD1 4.07Å; V880-F955 HydrophobicContact CG1-CD2 3.67Å; V880-F955 HydrophobicContact CG1-CE1 3.96Å; V880-F955 HydrophobicContact CG1-CE2 3.54Å; V880-F955 HydrophobicContact CG1-CG 3.93Å; V880-F955 HydrophobicContact CG1-CZ 3.7Å
881	G	92.4	Very high	92.3	Very high	1 Å²	1	33 Å²	33	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.8	-154.2	178.8	0	0	0	0	0	112.8	R867 R910	R867-G881 CarbonylContact O-C 3.59Å; R867-G881 WeakPolarHBondContact O-CA 3.31Å; G881-R910 PolarHBondContact O-N 3.11Å
882	Q	94.2	Very high	92.6	Very high	8 Å²	8	32.5 Å²	32.5	4%	0.037	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137.1	-178.6	-55.3	79.5	40	0	0	111.5	A866 R867 R910 Q913 I915 E950	A866-Q882 WeakPolarHBondContact CA-O 3.43Å; R867-Q882 PolarHBondContact N-O 3.34Å; R867-Q882 PolarHBondContact O-N 3.07Å; Q882-R910 VanDerWaalsContact CA-O 3.31Å; Q882-R910 WeakPolarHBondContact CA-O 3.37Å; Q882-Q913 WeakPolarHBondContact CB-O 3.46Å; Q882-Q913 WeakPolarHBondContact CG-O 3.41Å; Q882-I915 VanDerWaalsContact OE1-N 3.13Å; Q882-E950 PolarHBondContact NE2-OE1 3.49Å; Q882-E950 PolarHBondContact OE1-OE1 3.34Å
883	S	93.3	Very high	93	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	141.6	174.2	171.8	0	0	0	0	109.6	N885 L888 R910 Q911 G912	S883-N885 PolarHBondContact O-N 3.35Å; S883-N885 PolarHBondContact OG-O 2.97Å; S883-L888 VanDerWaalsContact OG-CB 3.25Å; S883-L888 WeakPolarHBondContact OG-CB 3.49Å; S883-R910 PolarHBondContact N-O 2.84Å; S883-Q911 CarbonylContact O-C 3.48Å; S883-Q911 VanDerWaalsContact O-CA 3.28Å; S883-Q911 WeakPolarHBondContact O-CA 3.23Å; S883-G912 CarbonylContact C-O 3.59Å; S883-G912 VanDerWaalsContact C-O 3.29Å; S883-G912 PolarHBondContact O-N 2.95Å
884	P	91	Very high	93.4	Very high	38 Å²	38	41.9 Å²	41.9	25%	0.247	22%	0.219	C	C	.	.	S	Bend	trans	-69.1	-23	-178.5	30.1	-38.1	0	0	0	112.9	E865 L888 Q911	E865-P884 HydrophobicContact CB-CG 4.01Å; E865-P884 WeakPolarHBondContact O-CD 3.4Å; P884-L888 HydrophobicContact CG-CD1 3.67Å; P884-Q911 PolarHBondContact O-NE2 3.34Å
885	N	91.6	Very high	93.8	Very high	46 Å²	46	40.2 Å²	40.2	25%	0.246	21%	0.212	C	C	.	.	S	Bend	trans	-146.4	163.5	179.7	62.3	57.9	0	0	0	112.6	S883 E887 L888	S883-N885 PolarHBondContact O-N 3.35Å; S883-N885 PolarHBondContact OG-O 2.97Å; N885-E887 VanDerWaalsContact C-N 3.29Å; N885-E887 PolarHBondContact O-N 3.47Å; N885-E887 WeakPolarHBondContact OD1-CB 3.49Å; N885-E887 PolarHBondContact OD1-N 3.11Å; N885-L888 WeakPolarHBondContact OD1-CB 3.39Å; N885-L888 PolarHBondContact OD1-N 3.32Å
886	A	91.7	Very high	94.1	Very high	72 Å²	72	39.8 Å²	39.8	60%	0.595	21%	0.208	S	C	*	.	H	α-helix	trans	-68.5	-26.9	-179.7	0	0	0	0	0	113	S889 A890	A886-S889 PolarHBondContact O-N 3.48Å; A886-A890 WeakPolarHBondContact O-CB 3.2Å; A886-A890 PolarHBondContact O-N 3.22Å
887	E	92.5	Very high	94.2	Very high	158 Å²	158	40.9 Å²	40.9	74%	0.738	22%	0.215	S	C	*	.	H	α-helix	trans	-67	-43.6	-179.8	-64.5	179.5	173	0	0	112	N885 A890 R891	N885-E887 VanDerWaalsContact C-N 3.29Å; N885-E887 PolarHBondContact O-N 3.47Å; N885-E887 WeakPolarHBondContact OD1-CB 3.49Å; N885-E887 PolarHBondContact OD1-N 3.11Å; E887-A890 PolarHBondContact O-N 3.35Å; E887-R891 WeakPolarHBondContact O-CB 3.33Å; E887-R891 PolarHBondContact O-N 3.36Å
888	L	93.1	Very high	94	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-66.8	-38.7	176.1	-80.6	174.4	0	0	0	112.3	Q861 I862 E865 S883 P884 N885 R891 A892	Q861-L888 HydrophobicContact CB-CD2 3.93Å; Q861-L888 HydrophobicContact CG-CD1 4.15Å; Q861-L888 HydrophobicContact CG-CD2 3.76Å; Q861-L888 HydrophobicContact CG-CG 4.47Å; I862-L888 HydrophobicContact CG1-CD2 3.94Å; E865-L888 HydrophobicContact CB-CD1 4.26Å; S883-L888 VanDerWaalsContact OG-CB 3.25Å; S883-L888 WeakPolarHBondContact OG-CB 3.49Å; P884-L888 HydrophobicContact CG-CD1 3.67Å; N885-L888 WeakPolarHBondContact OD1-CB 3.39Å; N885-L888 PolarHBondContact OD1-N 3.32Å; L888-R891 PolarHBondContact O-N 3.22Å; L888-A892 WeakPolarHBondContact O-CB 3.21Å; L888-A892 PolarHBondContact O-N 3.2Å
889	S	94.2	Very high	93.8	Very high	14 Å²	14	44.5 Å²	44.5	10%	0.098	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-45.6	172.8	171.6	0	0	0	0	111.5	A886 R891 A892 K893 N907	A886-S889 PolarHBondContact O-N 3.48Å; S889-R891 VanDerWaalsContact C-N 3.33Å; S889-R891 PolarHBondContact O-N 3.14Å; S889-A892 PolarHBondContact O-N 3.29Å; S889-K893 PolarHBondContact O-N 2.82Å; S889-K893 VanDerWaalsContact O-N 3.11Å; S889-N907 PolarHBondContact O-ND2 3.41Å; S889-N907 PolarHBondContact OG-ND2 2.98Å; S889-N907 PolarHBondContact OG-OD1 3.45Å
890	A	95	Very high	93.3	Very high	51 Å²	51	50.6 Å²	50.6	42%	0.421	28%	0.284	S	S	.	.	H	α-helix	trans	-63.7	-37.9	175.5	0	0	0	0	0	112.2	A886 E887 K893 Q894	A886-A890 WeakPolarHBondContact O-CB 3.2Å; A886-A890 PolarHBondContact O-N 3.22Å; E887-A890 PolarHBondContact O-N 3.35Å; A890-K893 WeakPolarHBondContact O-CB 3.46Å; A890-K893 PolarHBondContact O-N 2.93Å; A890-Q894 WeakPolarHBondContact O-CG 3.35Å; A890-Q894 PolarHBondContact O-N 2.85Å
891	R	94.4	Very high	92.8	Very high	112 Å²	112	52 Å²	52	42%	0.423	30%	0.299	S	S	.	.	H	α-helix	trans	-65.4	-44.1	175.6	-170.6	-175.1	-65.2	-160.9	0.6	112	D859 I862 E887 L888 S889 K893 Q894 I895	D859-R891 IonicContact OD1-NH1 3.67Å; D859-R891 WeakPolarHBondContact OD2-CD 3.24Å; D859-R891 IonicContact OD2-CZ 3.56Å; D859-R891 IonicContact OD2-NE 3.5Å; D859-R891 IonicContact OD2-NH1 3.95Å; D859-R891 PolarHBondContact OD2-NH1 3.2Å; I862-R891 HydrophobicContact CD1-CG 4.44Å; E887-R891 WeakPolarHBondContact O-CB 3.33Å; E887-R891 PolarHBondContact O-N 3.36Å; L888-R891 PolarHBondContact O-N 3.22Å; S889-R891 VanDerWaalsContact C-N 3.33Å; S889-R891 PolarHBondContact O-N 3.14Å; R891-K893 VanDerWaalsContact C-N 3.26Å; R891-K893 PolarHBondContact O-N 3.34Å; R891-Q894 WeakPolarHBondContact O-CB 2.91Å; R891-Q894 PolarHBondContact O-N 3.4Å; R891-Q894 VanDerWaalsContact O-N 3.09Å; R891-I895 HydrophobicContact CG-CD1 4.06Å; R891-I895 HydrophobicContact CG-CG1 4.5Å; R891-I895 WeakPolarHBondContact O-CG1 3.48Å; R891-I895 PolarHBondContact O-N 3.1Å
892	A	94.9	Very high	92.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-57.9	-41.8	175.2	0	0	0	0	0	111.6	L856 I862 I868 L879 L888 S889 I895 A896 I909	L856-A892 HydrophobicContact CD2-CB 3.69Å; I862-A892 HydrophobicContact CD1-CB 4.03Å; I868-A892 HydrophobicContact CD1-CB 3.44Å; I868-A892 VanDerWaalsContact CD1-CB 3.44Å; L879-A892 HydrophobicContact CD1-CB 4.4Å; L888-A892 WeakPolarHBondContact O-CB 3.21Å; L888-A892 PolarHBondContact O-N 3.2Å; S889-A892 PolarHBondContact O-N 3.29Å; A892-I895 PolarHBondContact O-N 2.71Å; A892-A896 WeakPolarHBondContact O-CB 3.44Å; A892-A896 PolarHBondContact O-N 2.95Å; A892-I909 HydrophobicContact CB-CD1 3.92Å
893	K	96.9	Very high	92.7	Very high	78 Å²	78	58.8 Å²	58.8	34%	0.339	34%	0.338	S	S	.	.	H	α-helix	trans	-59.6	-46.8	172.6	-175.5	-179.4	-177.4	173.9	0	112	S889 A890 R891 I895 A896 M897 V905 N907	S889-K893 PolarHBondContact O-N 2.82Å; S889-K893 VanDerWaalsContact O-N 3.11Å; A890-K893 WeakPolarHBondContact O-CB 3.46Å; A890-K893 PolarHBondContact O-N 2.93Å; R891-K893 VanDerWaalsContact C-N 3.26Å; R891-K893 PolarHBondContact O-N 3.34Å; K893-I895 PolarHBondContact O-N 2.96Å; K893-A896 PolarHBondContact O-N 3.37Å; K893-M897 HydrophobicContact CG-CG 4.42Å; K893-M897 HydrophobicContact CG-SD 4.05Å; K893-M897 WeakPolarHBondContact O-CB 3.43Å; K893-M897 VanDerWaalsContact O-CG 3.27Å; K893-M897 WeakPolarHBondContact O-CG 3.38Å; K893-M897 PolarHBondContact O-N 3.29Å; K893-V905 HydrophobicContact CG-CB 4.4Å; K893-V905 HydrophobicContact CG-CG1 4.01Å; K893-N907 HydrophobicContact CB-CB 4.38Å; K893-N907 HydrophobicContact CD-CB 4.02Å; K893-N907 HydrophobicContact CG-CB 4.4Å
894	Q	95.5	Very high	92.7	Very high	128 Å²	128	62.6 Å²	62.6	60%	0.598	36%	0.355	S	S	*	.	H	α-helix	trans	-61.9	-42.2	178.5	-72.3	-64.1	-35.2	0	0	112.4	A890 R891 M897 G898	A890-Q894 WeakPolarHBondContact O-CG 3.35Å; A890-Q894 PolarHBondContact O-N 2.85Å; R891-Q894 WeakPolarHBondContact O-CB 2.91Å; R891-Q894 PolarHBondContact O-N 3.4Å; R891-Q894 VanDerWaalsContact O-N 3.09Å; Q894-M897 PolarHBondContact O-N 2.89Å; Q894-G898 PolarHBondContact O-N 2.81Å; Q894-G898 VanDerWaalsContact O-N 3.11Å
895	I	95.1	Very high	93	Very high	38 Å²	38	61.4 Å²	61.4	20%	0.195	35%	0.348	C	S	.	.	H	α-helix	trans	-62	-47.9	176.4	-69.2	167.4	0	0	0	110.3	A855 L856 D859 I862 R891 A892 K893 M897 G898 V899	A855-I895 HydrophobicContact CB-CG2 3.49Å; A855-I895 VanDerWaalsContact CB-CG2 3.49Å; L856-I895 HydrophobicContact CD2-CB 4.03Å; L856-I895 HydrophobicContact CD2-CD1 4.36Å; L856-I895 HydrophobicContact CD2-CG2 3.94Å; L856-I895 HydrophobicContact CG-CG2 4.32Å; D859-I895 HydrophobicContact CB-CD1 3.95Å; I862-I895 HydrophobicContact CD1-CD1 3.59Å; R891-I895 HydrophobicContact CG-CD1 4.06Å; R891-I895 HydrophobicContact CG-CG1 4.5Å; R891-I895 WeakPolarHBondContact O-CG1 3.48Å; R891-I895 PolarHBondContact O-N 3.1Å; A892-I895 PolarHBondContact O-N 2.71Å; K893-I895 PolarHBondContact O-N 2.96Å; I895-M897 VanDerWaalsContact C-N 3.35Å; I895-M897 PolarHBondContact O-N 2.77Å; I895-G898 PolarHBondContact O-N 2.87Å; I895-G898 VanDerWaalsContact O-N 3.13Å; I895-V899 WeakPolarHBondContact O-CG2 3.31Å; I895-V899 PolarHBondContact O-N 3.35Å
896	A	95	Very high	93.2	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-62.8	-38.9	178.6	0	0	0	0	0	112.6	V852 L879 A892 K893 G898 V899 A902 V905	V852-A896 HydrophobicContact CG1-CB 3.77Å; V852-A896 HydrophobicContact CG2-CB 4.48Å; L879-A896 HydrophobicContact CD1-CB 4Å; L879-A896 HydrophobicContact CD2-CB 4.34Å; A892-A896 WeakPolarHBondContact O-CB 3.44Å; A892-A896 PolarHBondContact O-N 2.95Å; K893-A896 PolarHBondContact O-N 3.37Å; A896-G898 PolarHBondContact O-N 3.24Å; A896-V899 WeakPolarHBondContact O-CB 3.5Å; A896-V899 PolarHBondContact O-N 2.7Å; A896-A902 VanDerWaalsContact O-CB 3.24Å; A896-A902 WeakPolarHBondContact O-CB 3.45Å; A896-V905 HydrophobicContact CB-CG1 3.99Å; A896-V905 HydrophobicContact CB-CG2 4.12Å
897	M	95.1	Very high	93.4	Very high	100 Å²	100	62.1 Å²	62.1	49%	0.493	34%	0.336	S	S	.	.	H	α-helix	trans	-65.6	-26.3	175.2	-74.3	177.8	64.8	0	0	113	K893 Q894 I895 V899 V905	K893-M897 HydrophobicContact CG-CG 4.42Å; K893-M897 HydrophobicContact CG-SD 4.05Å; K893-M897 WeakPolarHBondContact O-CB 3.43Å; K893-M897 VanDerWaalsContact O-CG 3.27Å; K893-M897 WeakPolarHBondContact O-CG 3.38Å; K893-M897 PolarHBondContact O-N 3.29Å; Q894-M897 PolarHBondContact O-N 2.89Å; I895-M897 VanDerWaalsContact C-N 3.35Å; I895-M897 PolarHBondContact O-N 2.77Å; M897-V899 VanDerWaalsContact C-N 3.29Å; M897-V905 HydrophobicContact CB-CG2 4.39Å; M897-V905 HydrophobicContact CG-CB 3.98Å; M897-V905 HydrophobicContact CG-CG2 3.58Å
898	G	92	Very high	93.5	Very high	69 Å²	69	57.7 Å²	57.7	71%	0.711	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-4.7	175.9	0	0	0	0	0	114.2	Q894 I895 A896	Q894-G898 PolarHBondContact O-N 2.81Å; Q894-G898 VanDerWaalsContact O-N 3.11Å; I895-G898 PolarHBondContact O-N 2.87Å; I895-G898 VanDerWaalsContact O-N 3.13Å; A896-G898 PolarHBondContact O-N 3.24Å
899	V	91	Very high	93.6	Very high	17 Å²	17	58.3 Å²	58.3	10%	0.103	32%	0.318	C	S	.	.	S	Bend	trans	-84.1	122.3	177.6	177.9	0	0	0	0	109.9	L848 R851 V852 A855 I895 A896 M897 G901 A902	L848-V899 HydrophobicContact CD1-CG1 3.84Å; R851-V899 HydrophobicContact CB-CG1 3.48Å; R851-V899 VanDerWaalsContact CB-CG1 3.48Å; V852-V899 HydrophobicContact CG2-CB 3.92Å; V852-V899 HydrophobicContact CG2-CG1 3.95Å; V852-V899 HydrophobicContact CG2-CG2 3.99Å; A855-V899 HydrophobicContact CB-CG2 3.73Å; I895-V899 WeakPolarHBondContact O-CG2 3.31Å; I895-V899 PolarHBondContact O-N 3.35Å; A896-V899 WeakPolarHBondContact O-CB 3.5Å; A896-V899 PolarHBondContact O-N 2.7Å; M897-V899 VanDerWaalsContact C-N 3.29Å; V899-G901 PolarHBondContact O-N 3.14Å; V899-A902 VanDerWaalsContact O-CB 3.26Å; V899-A902 WeakPolarHBondContact O-CB 3.22Å; V899-A902 PolarHBondContact O-N 2.82Å
900	D	86.2	Confident	93.6	Very high	128 Å²	128	62.2 Å²	62.2	68%	0.684	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	130.3	174.2	-178.7	51.8	0	0	0	111.6	R851	R851-D900 PolarHBondContact NH1-O 2.89Å; R851-D900 IonicContact NH1-OD2 2.77Å; R851-D900 PolarHBondContact NH1-OD2 3.22Å; R851-D900 PolarHBondContact NH2-O 2.92Å
901	G	84.1	Confident	93.4	Very high	30 Å²	30	67 Å²	67	31%	0.309	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.1	-9.4	-172.5	0	0	0	0	0	115.8	L848 V899 N903	L848-G901 VanDerWaalsContact CD2-O 3.29Å; L848-G901 WeakPolarHBondContact CD2-O 3.27Å; V899-G901 PolarHBondContact O-N 3.14Å; G901-N903 PolarHBondContact O-N 3.19Å
902	A	92.1	Very high	93.2	Very high	20 Å²	20	63 Å²	63	17%	0.165	34%	0.338	C	S	.	.			trans	-81.4	96.3	172.8	0	0	0	0	0	111.3	L848 V877 A896 V899 V905	L848-A902 HydrophobicContact CD1-CB 4.14Å; V877-A902 HydrophobicContact CG2-CB 4.01Å; A896-A902 VanDerWaalsContact O-CB 3.24Å; A896-A902 WeakPolarHBondContact O-CB 3.45Å; V899-A902 VanDerWaalsContact O-CB 3.26Å; V899-A902 WeakPolarHBondContact O-CB 3.22Å; V899-A902 PolarHBondContact O-N 2.82Å; A902-V905 HydrophobicContact CB-CG2 4.36Å
903	N	91.9	Very high	92.7	Very high	131 Å²	131	70.1 Å²	70.1	70%	0.701	37%	0.371	S	S	*	.			trans	-75.2	-34.6	-179.5	-65.3	-30.4	0	0	0	112.8	G875 G901	G875-N903 PolarHBondContact O-N 3.39Å; G901-N903 PolarHBondContact O-N 3.19Å
904	E	94.3	Very high	92.1	Very high	81 Å²	81	69.1 Å²	69.1	38%	0.379	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	139.7	-176.9	-165.2	176.4	177.9	0	0	108.7	K876 V877 Y906	K876-E904 CarbonylContact C-O 3.55Å; K876-E904 WeakPolarHBondContact CA-O 3.39Å; K876-E904 WeakPolarHBondContact CE-OE2 3.38Å; K876-E904 HydrophobicContact CG-CB 4.19Å; K876-E904 IonicContact NZ-OE2 3.38Å; K876-E904 PolarHBondContact NZ-OE2 3.09Å; V877-E904 PolarHBondContact N-O 3.23Å; E904-Y906 VanDerWaalsContact CD-CZ 3.49Å; E904-Y906 HydrophobicContact CG-CE2 4.2Å; E904-Y906 VanDerWaalsContact OE1-CZ 3.28Å; E904-Y906 PolarHBondContact OE1-OH 3.4Å; E904-Y906 PolarHBondContact OE2-OH 3.31Å
905	V	95.9	Very high	91.5	Very high	14 Å²	14	64.2 Å²	64.2	9%	0.085	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	111	-179.6	-176	0	0	0	0	110.2	V877 L879 K893 A896 M897 A902	V877-V905 HydrophobicContact CB-CG2 4.25Å; V877-V905 CarbonylContact O-C 3.55Å; V877-V905 WeakPolarHBondContact O-CA 3.34Å; L879-V905 HydrophobicContact CD1-CG1 3.81Å; L879-V905 HydrophobicContact CG-CG1 4.03Å; K893-V905 HydrophobicContact CG-CB 4.4Å; K893-V905 HydrophobicContact CG-CG1 4.01Å; A896-V905 HydrophobicContact CB-CG1 3.99Å; A896-V905 HydrophobicContact CB-CG2 4.12Å; M897-V905 HydrophobicContact CB-CG2 4.39Å; M897-V905 HydrophobicContact CG-CB 3.98Å; M897-V905 HydrophobicContact CG-CG2 3.58Å; A902-V905 HydrophobicContact CB-CG2 4.36Å
906	Y	95.8	Very high	90.6	Very high	86 Å²	86	64 Å²	64	34%	0.337	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	123.2	169.4	-60.4	-81.3	0	0	0	109.2	K876 V877 L879 E904	K876-Y906 HydrophobicContact CB-CE2 4.09Å; K876-Y906 HydrophobicContact CD-CE2 4.12Å; K876-Y906 HydrophobicContact CG-CE2 4.46Å; K876-Y906 PolarHBondContact NZ-OH 3.09Å; V877-Y906 PolarHBondContact O-N 3.13Å; L879-Y906 PolarHBondContact N-O 2.92Å; E904-Y906 VanDerWaalsContact CD-CZ 3.49Å; E904-Y906 HydrophobicContact CG-CE2 4.2Å; E904-Y906 VanDerWaalsContact OE1-CZ 3.28Å; E904-Y906 PolarHBondContact OE1-OH 3.4Å; E904-Y906 PolarHBondContact OE2-OH 3.31Å
907	N	95.6	Very high	89.1	Confident	47 Å²	47	71.9 Å²	71.9	25%	0.251	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	100.4	179.9	-177.9	13.2	0	0	0	109.7	S889 K893 I909	S889-N907 PolarHBondContact O-ND2 3.41Å; S889-N907 PolarHBondContact OG-ND2 2.98Å; S889-N907 PolarHBondContact OG-OD1 3.45Å; K893-N907 HydrophobicContact CB-CB 4.38Å; K893-N907 HydrophobicContact CD-CB 4.02Å; K893-N907 HydrophobicContact CG-CB 4.4Å; N907-I909 WeakPolarHBondContact OD1-CB 3.36Å; N907-I909 WeakPolarHBondContact OD1-CD1 3.44Å; N907-I909 WeakPolarHBondContact OD1-CG1 3.36Å; N907-I909 PolarHBondContact OD1-N 3.06Å
908	E	95.8	Very high	87.4	Confident	65 Å²	65	69.7 Å²	69.7	30%	0.304	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	16.9	179.1	-66.7	-61	149.7	0	0	112	L878 L879 V880 R910 F955	L878-E908 HydrophobicContact CD1-CB 4.08Å; L878-E908 HydrophobicContact CD1-CG 3.75Å; L879-E908 CarbonylContact O-C 3.57Å; L879-E908 WeakPolarHBondContact O-CA 3.29Å; L879-E908 PolarHBondContact O-N 3.02Å; V880-E908 HydrophobicContact CG1-CB 3.89Å; E908-R910 PolarHBondContact O-N 2.78Å; E908-R910 PolarHBondContact O-NH1 3.42Å; E908-R910 VanDerWaalsContact O-NH1 3.11Å; E908-R910 IonicContact OE2-CZ 3.14Å; E908-R910 IonicContact OE2-NH1 3.6Å; E908-R910 PolarHBondContact OE2-NH1 3.47Å; E908-R910 IonicContact OE2-NH2 2.59Å; E908-R910 PolarHBondContact OE2-NH2 2.99Å; E908-F955 HydrophobicContact CB-CD1 4.46Å; E908-F955 HydrophobicContact CB-CE1 3.63Å; E908-F955 HydrophobicContact CB-CZ 4Å; E908-F955 HydrophobicContact CG-CD1 4.28Å; E908-F955 HydrophobicContact CG-CE1 3.68Å
909	I	94.6	Very high	86.7	Confident	15 Å²	15	70.9 Å²	70.9	8%	0.077	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	123.6	175.6	-58.6	167.2	0	0	0	109.3	I868 L879 A892 N907	I868-I909 HydrophobicContact CD1-CD1 3.79Å; I868-I909 HydrophobicContact CG1-CD1 4.07Å; I868-I909 HydrophobicContact CG2-CD1 4.17Å; L879-I909 HydrophobicContact CB-CD1 4.05Å; L879-I909 HydrophobicContact CB-CG1 4.05Å; L879-I909 HydrophobicContact CD1-CD1 4.44Å; L879-I909 PolarHBondContact O-N 2.88Å; A892-I909 HydrophobicContact CB-CD1 3.92Å; N907-I909 WeakPolarHBondContact OD1-CB 3.36Å; N907-I909 WeakPolarHBondContact OD1-CD1 3.44Å; N907-I909 WeakPolarHBondContact OD1-CG1 3.36Å; N907-I909 PolarHBondContact OD1-N 3.06Å
910	R	94.1	Very high	85.5	Confident	96 Å²	96	71 Å²	71	36%	0.362	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	145.9	179.1	-58.2	-64.8	177.4	-120.5	12	110.6	G881 Q882 S883 E908 G912 E953	G881-R910 PolarHBondContact O-N 3.11Å; Q882-R910 VanDerWaalsContact CA-O 3.31Å; Q882-R910 WeakPolarHBondContact CA-O 3.37Å; S883-R910 PolarHBondContact N-O 2.84Å; E908-R910 PolarHBondContact O-N 2.78Å; E908-R910 PolarHBondContact O-NH1 3.42Å; E908-R910 VanDerWaalsContact O-NH1 3.11Å; E908-R910 IonicContact OE2-CZ 3.14Å; E908-R910 IonicContact OE2-NH1 3.6Å; E908-R910 PolarHBondContact OE2-NH1 3.47Å; E908-R910 IonicContact OE2-NH2 2.59Å; E908-R910 PolarHBondContact OE2-NH2 2.99Å; R910-G912 PolarHBondContact O-N 3.32Å; R910-E953 IonicContact CZ-OE1 2.7Å; R910-E953 IonicContact CZ-OE2 3.95Å; R910-E953 VanDerWaalsContact CZ-OE2 3.27Å; R910-E953 IonicContact NE-OE1 3.97Å; R910-E953 IonicContact NE-OE2 3.41Å; R910-E953 PolarHBondContact NE-OE2 3.29Å; R910-E953 VanDerWaalsContact NH2-CD 3.27Å; R910-E953 IonicContact NH2-OE1 2.55Å; R910-E953 PolarHBondContact NH2-OE1 3.36Å; R910-E953 IonicContact NH2-OE2 2.72Å; R910-E953 PolarHBondContact NH2-OE2 3.29Å
911	Q	92	Very high	84.2	Confident	152 Å²	152	68.7 Å²	68.7	71%	0.71	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	118.1	171.9	-170.7	175.3	5.5	0	0	109.2	S883 P884	S883-Q911 CarbonylContact O-C 3.48Å; S883-Q911 VanDerWaalsContact O-CA 3.28Å; S883-Q911 WeakPolarHBondContact O-CA 3.23Å; P884-Q911 PolarHBondContact O-NE2 3.34Å
912	G	89.8	Confident	83.6	Confident	29 Å²	29	71.6 Å²	71.6	30%	0.299	39%	0.394	S	S	.	.	S	Bend	trans	172	176.2	-175	0	0	0	0	0	112.8	S883 R910	S883-G912 CarbonylContact C-O 3.59Å; S883-G912 VanDerWaalsContact C-O 3.29Å; S883-G912 PolarHBondContact O-N 2.95Å; R910-G912 PolarHBondContact O-N 3.32Å
913	Q	84.4	Confident	83	Confident	149 Å²	149	71 Å²	71	70%	0.696	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-79.5	147.9	170.8	-65.4	-62.2	-32.7	0	0	110.1	Q882 I915	Q882-Q913 WeakPolarHBondContact CB-O 3.46Å; Q882-Q913 WeakPolarHBondContact CG-O 3.41Å; Q913-I915 PolarHBondContact O-N 3.36Å
914	P	84.3	Confident	81.8	Confident	57 Å²	57	69 Å²	69	37%	0.37	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-50.2	133.4	171.1	-29.6	37.3	0	0	0	112.5	R867	R867-P914 HydrophobicContact CB-CB 3.88Å; R867-P914 HydrophobicContact CB-CG 4.26Å
915	I	83.1	Confident	80.4	Confident	24 Å²	24	72 Å²	72	12%	0.123	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-64.3	150.6	176.8	58	170	0	0	0	112.5	Q882 Q913 E919 A920 D923 E950 N951	Q882-I915 VanDerWaalsContact OE1-N 3.13Å; Q913-I915 PolarHBondContact O-N 3.36Å; I915-E919 HydrophobicContact CB-CB 3.98Å; I915-E919 HydrophobicContact CD1-CB 4.37Å; I915-E919 HydrophobicContact CG2-CB 4.36Å; I915-A920 HydrophobicContact CD1-CB 4.25Å; I915-D923 WeakPolarHBondContact CD1-OD2 3.41Å; I915-E950 WeakPolarHBondContact CD1-OE1 3.34Å; I915-N951 HydrophobicContact CG2-CB 3.89Å
916	G	76.1	Confident	79.6	Confident	35 Å²	35	72 Å²	72	36%	0.361	39%	0.388	S	S	.	.			trans	-77	175.4	176.8	0	0	0	0	0	113.4	G918 E919 A920	G916-G918 PolarHBondContact O-N 2.94Å; G916-E919 VanDerWaalsContact CA-OE2 3.24Å; G916-E919 WeakPolarHBondContact CA-OE2 3.4Å; G916-E919 PolarHBondContact N-OE2 3.21Å; G916-E919 VanDerWaalsContact N-OE2 3.15Å; G916-A920 PolarHBondContact O-N 3.31Å; G916-A920 VanDerWaalsContact O-N 3.15Å
917	L	63.3	Low	78.7	Confident	165 Å²	165	69 Å²	69	86%	0.864	38%	0.379	S	S	*	.	H	α-helix	trans	-62.5	-29.7	175.7	-79.6	163.7	0	0	0	112.8	S921	L917-S921 WeakPolarHBondContact O-CB 3.15Å; L917-S921 PolarHBondContact O-N 2.88Å; L917-S921 VanDerWaalsContact O-N 3.09Å
918	G	59.8	Low	77.4	Confident	54 Å²	54	70.1 Å²	70.1	56%	0.557	39%	0.388	S	S	*	.	H	α-helix	trans	-68.6	-49	179.5	0	0	0	0	0	112.2	G916 S921 N922	G916-G918 PolarHBondContact O-N 2.94Å; G918-S921 WeakPolarHBondContact O-CB 3.44Å; G918-S921 PolarHBondContact O-N 3.44Å; G918-N922 PolarHBondContact O-N 3.29Å; G918-N922 VanDerWaalsContact O-N 3.08Å
919	E	76	Confident	76.4	Confident	94 Å²	94	71.1 Å²	71.1	44%	0.439	39%	0.391	S	S	.	.	H	α-helix	trans	-63.7	-44	177	-65.1	81.2	-177	0	0	111.2	I915 G916 S921 N922 D923	I915-E919 HydrophobicContact CB-CB 3.98Å; I915-E919 HydrophobicContact CD1-CB 4.37Å; I915-E919 HydrophobicContact CG2-CB 4.36Å; G916-E919 VanDerWaalsContact CA-OE2 3.24Å; G916-E919 WeakPolarHBondContact CA-OE2 3.4Å; G916-E919 PolarHBondContact N-OE2 3.21Å; G916-E919 VanDerWaalsContact N-OE2 3.15Å; E919-S921 VanDerWaalsContact C-N 3.26Å; E919-S921 PolarHBondContact O-N 3.16Å; E919-N922 WeakPolarHBondContact O-CA 3.49Å; E919-N922 WeakPolarHBondContact O-CB 3.47Å; E919-N922 PolarHBondContact O-N 3.31Å; E919-D923 PolarHBondContact O-N 2.92Å
920	A	67.1	Low	75.9	Confident	19 Å²	19	70.4 Å²	70.4	16%	0.157	39%	0.387	C	S	.	.	H	α-helix	trans	-61.2	-33.8	175.9	0	0	0	0	0	112.9	I915 G916 T924	I915-A920 HydrophobicContact CD1-CB 4.25Å; G916-A920 PolarHBondContact O-N 3.31Å; G916-A920 VanDerWaalsContact O-N 3.15Å; A920-T924 PolarHBondContact O-N 3.29Å; A920-T924 VanDerWaalsContact O-N 3.11Å; A920-T924 PolarHBondContact O-OG1 3.46Å
921	S	58.1	Low	75.2	Confident	79 Å²	79	71.9 Å²	71.9	55%	0.552	39%	0.393	S	S	*	.	H	α-helix	trans	-68.7	-36.6	173	-173.2	0	0	0	0	112	L917 G918 E919 W925	L917-S921 WeakPolarHBondContact O-CB 3.15Å; L917-S921 PolarHBondContact O-N 2.88Å; L917-S921 VanDerWaalsContact O-N 3.09Å; G918-S921 WeakPolarHBondContact O-CB 3.44Å; G918-S921 PolarHBondContact O-N 3.44Å; E919-S921 VanDerWaalsContact C-N 3.26Å; E919-S921 PolarHBondContact O-N 3.16Å; S921-W925 PolarHBondContact O-N 3.35Å
922	N	72	Confident	74.1	Confident	92 Å²	92	67.8 Å²	67.8	49%	0.492	38%	0.381	S	S	.	.	H	α-helix	trans	-68.2	-40.6	175	-165.2	30.7	0	0	0	111.2	G918 E919 T924 W925 I926	G918-N922 PolarHBondContact O-N 3.29Å; G918-N922 VanDerWaalsContact O-N 3.08Å; E919-N922 WeakPolarHBondContact O-CA 3.49Å; E919-N922 WeakPolarHBondContact O-CB 3.47Å; E919-N922 PolarHBondContact O-N 3.31Å; N922-T924 VanDerWaalsContact C-N 3.3Å; N922-T924 PolarHBondContact O-N 3.3Å; N922-W925 WeakPolarHBondContact O-CA 3.44Å; N922-W925 WeakPolarHBondContact O-CB 3.13Å; N922-W925 PolarHBondContact O-N 3.06Å; N922-I926 WeakPolarHBondContact O-CG1 3.41Å; N922-I926 PolarHBondContact O-N 3.14Å
923	D	79.2	Confident	73.5	Confident	7 Å²	7	69.3 Å²	69.3	4%	0.037	38%	0.381	C	S	.	.	H	α-helix	trans	-60.2	-40.1	175.2	-69.1	-19.1	0	0	0	112.3	I915 E919 W925 I926 T927 T949 N951 G952	I915-D923 WeakPolarHBondContact CD1-OD2 3.41Å; E919-D923 PolarHBondContact O-N 2.92Å; D923-W925 VanDerWaalsContact C-N 3.28Å; D923-W925 PolarHBondContact O-N 3.19Å; D923-I926 PolarHBondContact O-N 2.74Å; D923-T927 WeakPolarHBondContact O-CB 3.28Å; D923-T927 PolarHBondContact O-N 2.94Å; D923-T927 PolarHBondContact O-OG1 2.82Å; D923-T927 VanDerWaalsContact O-OG1 3.06Å; D923-T949 HydrophobicContact CB-CG2 3.86Å; D923-N951 VanDerWaalsContact CG-N 3.32Å; D923-N951 PolarHBondContact OD1-N 3.45Å; D923-N951 PolarHBondContact OD2-N 2.98Å; D923-G952 PolarHBondContact OD1-N 3Å
924	T	67.1	Low	73.4	Confident	89 Å²	89	62.4 Å²	62.4	55%	0.546	35%	0.348	S	S	.	.	H	α-helix	trans	-61.8	-39.1	174.5	-57.7	0	0	0	0	111.2	A920 N922 T928	A920-T924 PolarHBondContact O-N 3.29Å; A920-T924 VanDerWaalsContact O-N 3.11Å; A920-T924 PolarHBondContact O-OG1 3.46Å; N922-T924 VanDerWaalsContact C-N 3.3Å; N922-T924 PolarHBondContact O-N 3.3Å; T924-T928 WeakPolarHBondContact O-CB 3.18Å; T924-T928 PolarHBondContact O-N 3.09Å; T924-T928 PolarHBondContact O-OG1 3.4Å
925	W	65.6	Low	72.8	Confident	143 Å²	143	65.4 Å²	65.4	54%	0.542	36%	0.361	S	S	.	.	H	α-helix	trans	-68.4	-42.6	176	-179	-120.3	0	0	0	112.5	S921 N922 D923 T928 K929	S921-W925 PolarHBondContact O-N 3.35Å; N922-W925 WeakPolarHBondContact O-CA 3.44Å; N922-W925 WeakPolarHBondContact O-CB 3.13Å; N922-W925 PolarHBondContact O-N 3.06Å; D923-W925 VanDerWaalsContact C-N 3.28Å; D923-W925 PolarHBondContact O-N 3.19Å; W925-T928 PolarHBondContact O-N 3.06Å; W925-K929 VanDerWaalsContact CE2-CE 3.49Å; W925-K929 PolarHBondContact O-N 3.45Å
926	I	77.2	Confident	72.4	Confident	14 Å²	14	69.4 Å²	69.4	7%	0.072	39%	0.386	C	S	.	.	H	α-helix	trans	-60.5	-48.3	173.9	-66	166.6	0	0	0	110.1	N922 D923 T928 K929 V930 T949 V954	N922-I926 WeakPolarHBondContact O-CG1 3.41Å; N922-I926 PolarHBondContact O-N 3.14Å; D923-I926 PolarHBondContact O-N 2.74Å; I926-T928 VanDerWaalsContact C-N 3.26Å; I926-T928 PolarHBondContact O-N 3.42Å; I926-K929 PolarHBondContact O-N 3.4Å; I926-V930 HydrophobicContact CG2-CG2 4.35Å; I926-V930 WeakPolarHBondContact O-CG2 3.42Å; I926-V930 PolarHBondContact O-N 2.95Å; I926-T949 HydrophobicContact CB-CG2 4.03Å; I926-T949 HydrophobicContact CD1-CG2 4.32Å; I926-T949 HydrophobicContact CG2-CG2 3.86Å; I926-V954 HydrophobicContact CG2-CG2 3.62Å
927	T	76.8	Confident	72.5	Confident	23 Å²	23	68.9 Å²	68.9	14%	0.141	38%	0.377	C	S	.	.	H	α-helix	trans	-55.2	-44	175.6	-65.9	0	0	0	0	111.1	D923 R931 V947 T949	D923-T927 WeakPolarHBondContact O-CB 3.28Å; D923-T927 PolarHBondContact O-N 2.94Å; D923-T927 PolarHBondContact O-OG1 2.82Å; D923-T927 VanDerWaalsContact O-OG1 3.06Å; T927-R931 HydrophobicContact CG2-CG 4.49Å; T927-R931 WeakPolarHBondContact O-CB 3.44Å; T927-R931 WeakPolarHBondContact O-CG 3.4Å; T927-R931 PolarHBondContact O-N 3.27Å; T927-V947 HydrophobicContact CG2-CG1 4.36Å; T927-T949 VanDerWaalsContact OG1-CB 3.3Å; T927-T949 WeakPolarHBondContact OG1-CB 3.49Å; T927-T949 PolarHBondContact OG1-OG1 3.44Å
928	T	68.9	Low	73.3	Confident	72 Å²	72	69.2 Å²	69.2	44%	0.442	38%	0.38	S	S	.	.	H	α-helix	trans	-64.9	-44.5	179.9	-58.5	0	0	0	0	111.7	T924 W925 I926 R931 S932	T924-T928 WeakPolarHBondContact O-CB 3.18Å; T924-T928 PolarHBondContact O-N 3.09Å; T924-T928 PolarHBondContact O-OG1 3.4Å; W925-T928 PolarHBondContact O-N 3.06Å; I926-T928 VanDerWaalsContact C-N 3.26Å; I926-T928 PolarHBondContact O-N 3.42Å; T928-R931 PolarHBondContact O-N 2.85Å; T928-S932 WeakPolarHBondContact O-CB 3.47Å; T928-S932 PolarHBondContact O-N 2.9Å
929	K	75.2	Confident	74.4	Confident	86 Å²	86	71.6 Å²	71.6	37%	0.374	38%	0.379	S	S	.	.	H	α-helix	trans	-61.6	-48.5	176	-80.6	179.4	170	173.7	0	112.2	W925 I926 R931 S932 Q933	W925-K929 VanDerWaalsContact CE2-CE 3.49Å; W925-K929 PolarHBondContact O-N 3.45Å; I926-K929 PolarHBondContact O-N 3.4Å; K929-R931 PolarHBondContact O-N 3.46Å; K929-S932 PolarHBondContact O-N 3.01Å; K929-Q933 PolarHBondContact O-N 2.85Å
930	V	83.2	Confident	74.6	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-61.5	-45.3	179.7	175.3	0	0	0	0	110.5	I926 S932 Q933 L934 V947 L956 A972	I926-V930 HydrophobicContact CG2-CG2 4.35Å; I926-V930 WeakPolarHBondContact O-CG2 3.42Å; I926-V930 PolarHBondContact O-N 2.95Å; V930-S932 PolarHBondContact O-N 3.44Å; V930-Q933 PolarHBondContact O-N 2.88Å; V930-L934 HydrophobicContact CG1-CD1 4.04Å; V930-L934 HydrophobicContact CG1-CG 4.48Å; V930-L934 WeakPolarHBondContact O-CG 3.35Å; V930-L934 PolarHBondContact O-N 3.34Å; V930-V947 HydrophobicContact CB-CG1 4.19Å; V930-V947 HydrophobicContact CG1-CG1 3.89Å; V930-V947 HydrophobicContact CG1-CG2 4.07Å; V930-L956 HydrophobicContact CG1-CD2 4.49Å; V930-A972 HydrophobicContact CG1-CB 4.3Å
931	R	79.5	Confident	75	Confident	126 Å²	126	73 Å²	73	48%	0.475	38%	0.38	S	S	.	.	H	α-helix	trans	-62.9	-42	175.7	-74.3	-177.2	-175.7	178	4.9	112.6	T927 T928 K929 Q933 L934 L935 V947	T927-R931 HydrophobicContact CG2-CG 4.49Å; T927-R931 WeakPolarHBondContact O-CB 3.44Å; T927-R931 WeakPolarHBondContact O-CG 3.4Å; T927-R931 PolarHBondContact O-N 3.27Å; T928-R931 PolarHBondContact O-N 2.85Å; K929-R931 PolarHBondContact O-N 3.46Å; R931-Q933 VanDerWaalsContact C-N 3.27Å; R931-Q933 PolarHBondContact O-N 3.38Å; R931-L934 PolarHBondContact O-N 3.01Å; R931-L935 WeakPolarHBondContact O-CB 3.49Å; R931-L935 WeakPolarHBondContact O-CD1 3.38Å; R931-L935 WeakPolarHBondContact O-CG 3.33Å; R931-L935 PolarHBondContact O-N 3.34Å; R931-V947 HydrophobicContact CG-CB 4.18Å; R931-V947 HydrophobicContact CG-CG2 3.96Å; R931-V947 PolarHBondContact NH2-O 2.93Å; R931-V947 VanDerWaalsContact NH2-O 3.08Å
932	S	69.8	Low	75.6	Confident	67 Å²	67	71 Å²	71	47%	0.469	37%	0.367	S	S	.	.	H	α-helix	trans	-60	-38.4	176.7	-174.9	0	0	0	0	112	T928 K929 V930 L935 T936	T928-S932 WeakPolarHBondContact O-CB 3.47Å; T928-S932 PolarHBondContact O-N 2.9Å; K929-S932 PolarHBondContact O-N 3.01Å; V930-S932 PolarHBondContact O-N 3.44Å; S932-L935 WeakPolarHBondContact O-CB 3.17Å; S932-L935 PolarHBondContact O-N 3.05Å; S932-T936 PolarHBondContact O-N 3.44Å; S932-T936 PolarHBondContact O-OG1 2.95Å
933	Q	78	Confident	75.4	Confident	61 Å²	61	67.8 Å²	67.8	29%	0.285	35%	0.351	S	S	.	.	H	α-helix	trans	-77.9	-35.4	178.3	-72.4	-158.4	-14.9	0	0	113.7	K929 V930 R931 L935 T936 S937 I971 H975	K929-Q933 PolarHBondContact O-N 2.85Å; V930-Q933 PolarHBondContact O-N 2.88Å; R931-Q933 VanDerWaalsContact C-N 3.27Å; R931-Q933 PolarHBondContact O-N 3.38Å; Q933-L935 PolarHBondContact O-N 2.92Å; Q933-T936 WeakPolarHBondContact CA-OG1 3.29Å; Q933-T936 CarbonylContact O-C 3.59Å; Q933-T936 PolarHBondContact O-N 2.86Å; Q933-T936 VanDerWaalsContact O-N 3.16Å; Q933-T936 PolarHBondContact O-OG1 3.29Å; Q933-S937 PolarHBondContact O-N 2.85Å; Q933-S937 VanDerWaalsContact O-N 3.1Å; Q933-I971 HydrophobicContact CB-CG2 3.58Å; Q933-H975 PolarHBondContact NE2-CE1 2.84Å; Q933-H975 PolarHBondContact NE2-NE2 2.85Å; Q933-H975 PolarHBondContact OE1-CD2 3.04Å; Q933-H975 VanDerWaalsContact OE1-CD2 3.28Å; Q933-H975 PolarHBondContact OE1-NE2 3.11Å
934	L	81.1	Confident	75.4	Confident	3 Å²	3	68.5 Å²	68.5	2%	0.016	36%	0.355	C	S	.	.	H	α-helix	trans	-60.6	-34.4	169.6	-72.4	169.9	0	0	0	111.1	V930 R931 T936 S937 V940 V945 V947 A968 I971	V930-L934 HydrophobicContact CG1-CD1 4.04Å; V930-L934 HydrophobicContact CG1-CG 4.48Å; V930-L934 WeakPolarHBondContact O-CG 3.35Å; V930-L934 PolarHBondContact O-N 3.34Å; R931-L934 PolarHBondContact O-N 3.01Å; L934-T936 VanDerWaalsContact C-N 3.32Å; L934-T936 PolarHBondContact O-N 3.48Å; L934-S937 WeakPolarHBondContact O-CB 3.24Å; L934-S937 PolarHBondContact O-N 3.39Å; L934-V940 HydrophobicContact CD2-CB 4.17Å; L934-V940 HydrophobicContact CD2-CG1 3.9Å; L934-V945 HydrophobicContact CD1-CB 4.44Å; L934-V945 HydrophobicContact CD1-CG1 4.36Å; L934-V947 HydrophobicContact CD1-CG2 3.62Å; L934-A968 HydrophobicContact CD2-CB 4.26Å; L934-I971 HydrophobicContact CD2-CD1 3.91Å; L934-I971 HydrophobicContact CD2-CG2 4.35Å; L934-I971 HydrophobicContact CG-CG2 4.28Å
935	L	72.7	Confident	76.2	Confident	121 Å²	121	64.8 Å²	64.8	63%	0.634	33%	0.332	S	S	*	.	H	α-helix	trans	-66	-31.8	174.9	-80.3	159.6	0	0	0	113.1	R931 S932 Q933 S942	R931-L935 WeakPolarHBondContact O-CB 3.49Å; R931-L935 WeakPolarHBondContact O-CD1 3.38Å; R931-L935 WeakPolarHBondContact O-CG 3.33Å; R931-L935 PolarHBondContact O-N 3.34Å; S932-L935 WeakPolarHBondContact O-CB 3.17Å; S932-L935 PolarHBondContact O-N 3.05Å; Q933-L935 PolarHBondContact O-N 2.92Å; L935-S942 VanDerWaalsContact CD2-OG 3.28Å; L935-S942 WeakPolarHBondContact CD2-OG 3.43Å
936	T	73.2	Confident	77	Confident	107 Å²	107	59.7 Å²	59.7	66%	0.656	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	2.7	177.9	57.8	0	0	0	0	113.5	S932 Q933 L934	S932-T936 PolarHBondContact O-N 3.44Å; S932-T936 PolarHBondContact O-OG1 2.95Å; Q933-T936 WeakPolarHBondContact CA-OG1 3.29Å; Q933-T936 CarbonylContact O-C 3.59Å; Q933-T936 PolarHBondContact O-N 2.86Å; Q933-T936 VanDerWaalsContact O-N 3.16Å; Q933-T936 PolarHBondContact O-OG1 3.29Å; L934-T936 VanDerWaalsContact C-N 3.32Å; L934-T936 PolarHBondContact O-N 3.48Å
937	S	78.4	Confident	77.4	Confident	25 Å²	25	59.1 Å²	59.1	18%	0.175	31%	0.311	C	S	.	.			trans	-86.2	123.3	-177.3	179.2	0	0	0	0	111.3	Q933 L934 L939 V940	Q933-S937 PolarHBondContact O-N 2.85Å; Q933-S937 VanDerWaalsContact O-N 3.1Å; L934-S937 WeakPolarHBondContact O-CB 3.24Å; L934-S937 PolarHBondContact O-N 3.39Å; S937-L939 PolarHBondContact O-N 3.21Å; S937-L939 PolarHBondContact OG-N 3.38Å; S937-V940 PolarHBondContact OG-N 2.96Å; S937-V940 VanDerWaalsContact OG-N 3.17Å
938	D	80.8	Confident	77.9	Confident	172 Å²	172	59.1 Å²	59.1	92%	0.92	31%	0.311	S	S	*	.	S	Bend	trans	-74.1	-15.1	170.4	-61.9	-34.1	0	0	0	112.6
939	L	82.1	Confident	78.7	Confident	103 Å²	103	56.2 Å²	56.2	54%	0.539	29%	0.293	S	S	.	.	S	Bend	trans	-95	-26.9	-174	-69.9	173.2	0	0	0	113.7	S937 E964 A967	S937-L939 PolarHBondContact O-N 3.21Å; S937-L939 PolarHBondContact OG-N 3.38Å; L939-E964 WeakPolarHBondContact O-CG 3.39Å; L939-A967 HydrophobicContact CB-CB 4.1Å; L939-A967 HydrophobicContact CD1-CB 4.26Å
940	V	80.4	Confident	79.4	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.006	28%	0.277	C	S	.	.	S	Bend	trans	-136.1	117.6	-175.3	-177.1	0	0	0	0	108.2	L934 S937 S942 V945 E964 A967 A968	L934-V940 HydrophobicContact CD2-CB 4.17Å; L934-V940 HydrophobicContact CD2-CG1 3.9Å; S937-V940 PolarHBondContact OG-N 2.96Å; S937-V940 VanDerWaalsContact OG-N 3.17Å; V940-S942 PolarHBondContact O-N 3.45Å; V940-V945 HydrophobicContact CG1-CG2 3.73Å; V940-E964 HydrophobicContact CG2-CB 4.31Å; V940-E964 VanDerWaalsContact CG2-O 3.27Å; V940-E964 WeakPolarHBondContact CG2-O 3.45Å; V940-A967 HydrophobicContact CG2-CB 3.56Å; V940-A968 HydrophobicContact CG1-CB 4.17Å; V940-A968 HydrophobicContact CG2-CB 4.23Å
941	K	75.4	Confident	79.6	Confident	142 Å²	142	57 Å²	57	62%	0.617	30%	0.301	S	S	*	.			trans	-69	122.5	172.7	-63.2	-175.8	177.4	-178.8	0	109.3	S943 N944	K941-S943 WeakPolarHBondContact CB-OG 3.31Å; K941-S943 PolarHBondContact O-N 3.23Å; K941-N944 PolarHBondContact O-N 3.48Å
942	S	71	Confident	80	Confident	38 Å²	38	51.7 Å²	51.7	27%	0.266	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-53.7	-28	177.5	61.3	0	0	0	0	113.5	L935 V940 N944	L935-S942 VanDerWaalsContact CD2-OG 3.28Å; L935-S942 WeakPolarHBondContact CD2-OG 3.43Å; V940-S942 PolarHBondContact O-N 3.45Å; S942-N944 VanDerWaalsContact C-N 3.3Å; S942-N944 PolarHBondContact O-N 3.3Å
943	S	68.5	Low	81	Confident	23 Å²	23	52 Å²	52	16%	0.161	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-61.5	-31.3	173.9	51.3	0	0	0	0	115.2	T834 P836 K941 V945	T834-S943 WeakPolarHBondContact O-CB 3.29Å; P836-S943 WeakPolarHBondContact CD-O 3.43Å; K941-S943 WeakPolarHBondContact CB-OG 3.31Å; K941-S943 PolarHBondContact O-N 3.23Å; S943-V945 VanDerWaalsContact C-N 3.31Å
944	N	78.5	Confident	81.7	Confident	22 Å²	22	50.5 Å²	50.5	12%	0.118	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-86.8	-7.5	-170.3	-64.3	6.5	0	0	0	112.1	P836 Y873 K941 S942 G958 L959 V960	P836-N944 HydrophobicContact CG-CB 4.47Å; P836-N944 VanDerWaalsContact CG-OD1 3.28Å; P836-N944 WeakPolarHBondContact CG-OD1 3.38Å; Y873-N944 PolarHBondContact OH-O 3.09Å; K941-N944 PolarHBondContact O-N 3.48Å; S942-N944 VanDerWaalsContact C-N 3.3Å; S942-N944 PolarHBondContact O-N 3.3Å; N944-G958 WeakPolarHBondContact O-CA 3.33Å; N944-L959 PolarHBondContact O-N 3.46Å; N944-V960 HydrophobicContact CB-CG1 4.1Å
945	V	83.2	Confident	82.2	Confident	12 Å²	12	51.7 Å²	51.7	7%	0.073	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	118.7	-173	-176	0	0	0	0	110.2	L934 V940 S943 V947 L956 V960 A968	L934-V945 HydrophobicContact CD1-CB 4.44Å; L934-V945 HydrophobicContact CD1-CG1 4.36Å; V940-V945 HydrophobicContact CG1-CG2 3.73Å; S943-V945 VanDerWaalsContact C-N 3.31Å; V945-V947 HydrophobicContact CG1-CG2 4.48Å; V945-L956 HydrophobicContact CG1-CB 3.98Å; V945-L956 HydrophobicContact CG1-CD2 3.93Å; V945-L956 HydrophobicContact CG1-CG 4.4Å; V945-V960 HydrophobicContact CG2-CG1 3.76Å; V945-A968 HydrophobicContact CG2-CB 4.42Å
946	K	82.7	Confident	83.1	Confident	35 Å²	35	48.6 Å²	48.6	15%	0.152	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	127.8	168.8	-167.7	173.9	-174.9	-168.4	0	109.6	E849 T871 A872 Y873 L956 M957	E849-K946 IonicContact OE1-NZ 3.48Å; E849-K946 PolarHBondContact OE1-NZ 3.41Å; T871-K946 HydrophobicContact CG2-CD 3.66Å; T871-K946 VanDerWaalsContact CG2-CE 3.49Å; T871-K946 HydrophobicContact CG2-CG 4.31Å; T871-K946 VanDerWaalsContact CG2-NZ 3.34Å; A872-K946 PolarHBondContact O-NZ 3.14Å; Y873-K946 HydrophobicContact CD2-CB 3.98Å; Y873-K946 HydrophobicContact CD2-CD 4.13Å; Y873-K946 HydrophobicContact CE2-CB 4.28Å; K946-L956 WeakPolarHBondContact O-CA 3.49Å; K946-M957 HydrophobicContact CB-CB 4.44Å; K946-M957 WeakPolarHBondContact CB-O 3.41Å; K946-M957 PolarHBondContact N-O 2.91Å; K946-M957 PolarHBondContact O-N 3.35Å
947	V	86.4	Confident	84	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125.7	-178.7	-173	0	0	0	0	109.2	T927 V930 R931 L934 V945 V954 L956	T927-V947 HydrophobicContact CG2-CG1 4.36Å; V930-V947 HydrophobicContact CB-CG1 4.19Å; V930-V947 HydrophobicContact CG1-CG1 3.89Å; V930-V947 HydrophobicContact CG1-CG2 4.07Å; R931-V947 HydrophobicContact CG-CB 4.18Å; R931-V947 HydrophobicContact CG-CG2 3.96Å; R931-V947 PolarHBondContact NH2-O 2.93Å; R931-V947 VanDerWaalsContact NH2-O 3.08Å; L934-V947 HydrophobicContact CD1-CG2 3.62Å; V945-V947 HydrophobicContact CG1-CG2 4.48Å; V947-V954 HydrophobicContact CG1-CG1 4Å; V947-L956 HydrophobicContact CB-CD2 4.26Å; V947-L956 HydrophobicContact CG1-CD2 4.07Å; V947-L956 HydrophobicContact CG2-CD2 3.8Å
948	T	87.1	Confident	84.3	Confident	23 Å²	23	44.9 Å²	44.9	14%	0.141	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.9	171.7	-60.4	0	0	0	0	108.2	T871 V880 F955	T871-T948 PolarHBondContact OG1-OG1 3.41Å; V880-T948 HydrophobicContact CG2-CG2 3.93Å; T948-F955 PolarHBondContact N-O 3.47Å; T948-F955 PolarHBondContact O-N 2.89Å
949	T	86.1	Confident	84.4	Confident	11 Å²	11	41 Å²	41	7%	0.067	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.7	175.5	-55.3	0	0	0	0	109.6	D923 I926 T927 E953 V954	D923-T949 HydrophobicContact CB-CG2 3.86Å; I926-T949 HydrophobicContact CB-CG2 4.03Å; I926-T949 HydrophobicContact CD1-CG2 4.32Å; I926-T949 HydrophobicContact CG2-CG2 3.86Å; T927-T949 VanDerWaalsContact OG1-CB 3.3Å; T927-T949 WeakPolarHBondContact OG1-CB 3.49Å; T927-T949 PolarHBondContact OG1-OG1 3.44Å; T949-E953 WeakPolarHBondContact CA-O 3.25Å; T949-V954 HydrophobicContact CG2-CG2 4.18Å
950	E	89	Confident	84.6	Confident	6 Å²	6	38.5 Å²	38.5	3%	0.028	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	120.1	176.8	-175	70.8	-155.5	0	0	110.1	R867 N869 V880 Q882 I915 G952 E953 F955	R867-E950 IonicContact NE-OE1 2.91Å; R867-E950 PolarHBondContact NE-OE1 3.3Å; N869-E950 PolarHBondContact ND2-OE2 3.48Å; V880-E950 HydrophobicContact CB-CB 4.15Å; V880-E950 HydrophobicContact CB-CG 4.34Å; V880-E950 HydrophobicContact CG2-CB 4.08Å; V880-E950 HydrophobicContact CG2-CG 4.43Å; Q882-E950 PolarHBondContact NE2-OE1 3.49Å; Q882-E950 PolarHBondContact OE1-OE1 3.34Å; I915-E950 WeakPolarHBondContact CD1-OE1 3.34Å; E950-G952 VanDerWaalsContact C-N 3.3Å; E950-G952 PolarHBondContact O-N 3.15Å; E950-E953 PolarHBondContact N-O 3.47Å; E950-E953 WeakPolarHBondContact O-CB 3.37Å; E950-E953 PolarHBondContact O-N 3.17Å; E950-F955 HydrophobicContact CB-CE2 4.38Å
951	N	88.3	Confident	85	Confident	96 Å²	96	42.3 Å²	42.3	51%	0.513	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	45.8	-179	-165.3	40.5	0	0	0	113.3	I915 D923 E953	I915-N951 HydrophobicContact CG2-CB 3.89Å; D923-N951 VanDerWaalsContact CG-N 3.32Å; D923-N951 PolarHBondContact OD1-N 3.45Å; D923-N951 PolarHBondContact OD2-N 2.98Å; N951-E953 PolarHBondContact O-N 3.26Å
952	G	86.6	Confident	85.6	Confident	15 Å²	15	44.3 Å²	44.3	16%	0.155	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	-12.2	-175.3	0	0	0	0	0	115.2	D923 E950 N976	D923-G952 PolarHBondContact OD1-N 3Å; E950-G952 VanDerWaalsContact C-N 3.3Å; E950-G952 PolarHBondContact O-N 3.15Å; G952-N976 PolarHBondContact O-ND2 2.93Å; G952-N976 PolarHBondContact O-OD1 3.29Å
953	E	91.2	Very high	86.5	Confident	75 Å²	75	51.7 Å²	51.7	35%	0.35	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	124.6	-179.8	-151.7	173.5	-162.6	0	0	110.3	R910 T949 E950 N951 F955	R910-E953 IonicContact CZ-OE1 2.7Å; R910-E953 IonicContact CZ-OE2 3.95Å; R910-E953 VanDerWaalsContact CZ-OE2 3.27Å; R910-E953 IonicContact NE-OE1 3.97Å; R910-E953 IonicContact NE-OE2 3.41Å; R910-E953 PolarHBondContact NE-OE2 3.29Å; R910-E953 VanDerWaalsContact NH2-CD 3.27Å; R910-E953 IonicContact NH2-OE1 2.55Å; R910-E953 PolarHBondContact NH2-OE1 3.36Å; R910-E953 IonicContact NH2-OE2 2.72Å; R910-E953 PolarHBondContact NH2-OE2 3.29Å; T949-E953 WeakPolarHBondContact CA-O 3.25Å; E950-E953 PolarHBondContact N-O 3.47Å; E950-E953 WeakPolarHBondContact O-CB 3.37Å; E950-E953 PolarHBondContact O-N 3.17Å; N951-E953 PolarHBondContact O-N 3.26Å; E953-F955 HydrophobicContact CB-CE2 3.91Å; E953-F955 HydrophobicContact CB-CZ 4.22Å; E953-F955 HydrophobicContact CG-CE2 4.11Å; E953-F955 HydrophobicContact CG-CZ 3.98Å
954	V	91.9	Very high	87.5	Confident	29 Å²	29	52.8 Å²	52.8	18%	0.176	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	122.5	-176.2	-177.6	0	0	0	0	110.3	I926 V947 T949 L956 A972	I926-V954 HydrophobicContact CG2-CG2 3.62Å; V947-V954 HydrophobicContact CG1-CG1 4Å; T949-V954 HydrophobicContact CG2-CG2 4.18Å; V954-L956 HydrophobicContact CG1-CD2 3.99Å; V954-L956 HydrophobicContact CG1-CG 4.41Å; V954-A972 HydrophobicContact CG1-CB 4.08Å
955	F	93.6	Very high	88.1	Confident	27 Å²	27	53.7 Å²	53.7	12%	0.118	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131	175.6	-57.5	-92.9	0	0	0	110	L878 V880 E908 T948 E950 E953	L878-F955 HydrophobicContact CD1-CD1 4.36Å; L878-F955 HydrophobicContact CD2-CB 3.59Å; L878-F955 HydrophobicContact CD2-CD1 4.2Å; L878-F955 HydrophobicContact CD2-CG 3.98Å; V880-F955 HydrophobicContact CB-CE2 4.22Å; V880-F955 HydrophobicContact CG1-CD1 4.07Å; V880-F955 HydrophobicContact CG1-CD2 3.67Å; V880-F955 HydrophobicContact CG1-CE1 3.96Å; V880-F955 HydrophobicContact CG1-CE2 3.54Å; V880-F955 HydrophobicContact CG1-CG 3.93Å; V880-F955 HydrophobicContact CG1-CZ 3.7Å; E908-F955 HydrophobicContact CB-CD1 4.46Å; E908-F955 HydrophobicContact CB-CE1 3.63Å; E908-F955 HydrophobicContact CB-CZ 4Å; E908-F955 HydrophobicContact CG-CD1 4.28Å; E908-F955 HydrophobicContact CG-CE1 3.68Å; T948-F955 PolarHBondContact N-O 3.47Å; T948-F955 PolarHBondContact O-N 2.89Å; E950-F955 HydrophobicContact CB-CE2 4.38Å; E953-F955 HydrophobicContact CB-CE2 3.91Å; E953-F955 HydrophobicContact CB-CZ 4.22Å; E953-F955 HydrophobicContact CG-CE2 4.11Å; E953-F955 HydrophobicContact CG-CZ 3.98Å
956	L	91.6	Very high	88.5	Confident	57 Å²	57	60.1 Å²	60.1	30%	0.298	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125	-179.7	-57.5	178.1	0	0	0	109.2	V930 V945 K946 V947 V954 A968 A972	V930-L956 HydrophobicContact CG1-CD2 4.49Å; V945-L956 HydrophobicContact CG1-CB 3.98Å; V945-L956 HydrophobicContact CG1-CD2 3.93Å; V945-L956 HydrophobicContact CG1-CG 4.4Å; K946-L956 WeakPolarHBondContact O-CA 3.49Å; V947-L956 HydrophobicContact CB-CD2 4.26Å; V947-L956 HydrophobicContact CG1-CD2 4.07Å; V947-L956 HydrophobicContact CG2-CD2 3.8Å; V954-L956 HydrophobicContact CG1-CD2 3.99Å; V954-L956 HydrophobicContact CG1-CG 4.41Å; L956-A968 HydrophobicContact CD1-CB 4Å; L956-A972 HydrophobicContact CD1-CB 4.06Å
957	M	90.2	Very high	88.8	Confident	23 Å²	23	59 Å²	59	11%	0.113	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.2	173.8	-66.5	-175.4	77.5	0	0	109.6	T871 Y873 K876 L878 K946	T871-M957 HydrophobicContact CG2-SD 3.79Å; Y873-M957 HydrophobicContact CD2-CB 4.49Å; Y873-M957 HydrophobicContact CG-CB 4.22Å; K876-M957 HydrophobicContact CB-CE 4.05Å; K876-M957 WeakPolarHBondContact O-CE 3.37Å; L878-M957 HydrophobicContact CB-CE 4.37Å; L878-M957 HydrophobicContact CB-SD 3.59Å; L878-M957 VanDerWaalsContact CB-SD 3.59Å; L878-M957 HydrophobicContact CD2-CG 4.31Å; L878-M957 HydrophobicContact CD2-SD 4.02Å; L878-M957 HydrophobicContact CG-SD 4.46Å; K946-M957 HydrophobicContact CB-CB 4.44Å; K946-M957 WeakPolarHBondContact CB-O 3.41Å; K946-M957 PolarHBondContact N-O 2.91Å; K946-M957 PolarHBondContact O-N 3.35Å
958	G	86.6	Confident	89	Confident	30 Å²	30	59.1 Å²	59.1	31%	0.309	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	158.9	-175.9	0	0	0	0	0	113.6	N944	N944-G958 WeakPolarHBondContact O-CA 3.33Å
959	L	82.9	Confident	89.2	Confident	91 Å²	91	60.3 Å²	60.3	48%	0.476	32%	0.32	S	S	.	.			trans	-90.3	100.5	163.1	-81.2	-177	0	0	0	109	Y873 Q874 N944	Y873-L959 HydrophobicContact CE1-CG 4.17Å; Y873-L959 PolarHBondContact OH-N 3.18Å; Q874-L959 VanDerWaalsContact OE1-CD2 3.31Å; N944-L959 PolarHBondContact O-N 3.46Å
960	V	85.5	Confident	89.4	Confident	50 Å²	50	63.3 Å²	63.3	30%	0.303	34%	0.336	S	S	.	.			trans	-140.7	151.6	-174.6	-71.8	0	0	0	0	110.6	N944 V945 E964 A965	N944-V960 HydrophobicContact CB-CG1 4.1Å; V945-V960 HydrophobicContact CG2-CG1 3.76Å; V960-E964 WeakPolarHBondContact CA-OE2 3.41Å; V960-E964 HydrophobicContact CB-CB 3.73Å; V960-E964 HydrophobicContact CG1-CB 4.07Å; V960-A965 HydrophobicContact CG2-CB 3.83Å
961	T	88.8	Confident	89.4	Confident	82 Å²	82	63.6 Å²	63.6	50%	0.503	34%	0.338	S	S	.	.			trans	-67.2	160.7	166.9	60.8	0	0	0	0	110.8	R963 E964 A965	T961-R963 PolarHBondContact O-N 3.19Å; T961-R963 VanDerWaalsContact O-N 3.17Å; T961-E964 WeakPolarHBondContact CB-OE2 3.36Å; T961-E964 WeakPolarHBondContact CG2-OE2 3.42Å; T961-E964 PolarHBondContact N-OE2 3.24Å; T961-E964 PolarHBondContact O-N 2.92Å; T961-E964 VanDerWaalsContact O-N 3.09Å; T961-E964 WeakPolarHBondContact OG1-CB 3.45Å; T961-E964 VanDerWaalsContact OG1-CG 3.28Å; T961-E964 WeakPolarHBondContact OG1-CG 3.37Å; T961-E964 PolarHBondContact OG1-N 3.36Å; T961-E964 PolarHBondContact OG1-OE2 3.13Å; T961-A965 WeakPolarHBondContact O-CB 3.25Å; T961-A965 PolarHBondContact O-N 2.88Å
962	E	87.8	Confident	89.4	Confident	183 Å²	183	59.5 Å²	59.5	86%	0.855	32%	0.317	S	S	*	.	H	α-helix	trans	-56	-34.4	176.3	-169	179	-179.5	0	0	112.5	K966	E962-K966 PolarHBondContact O-N 3.25Å; E962-K966 VanDerWaalsContact O-N 3.08Å
963	R	89.2	Confident	89.4	Confident	193 Å²	193	61.9 Å²	61.9	73%	0.728	33%	0.331	S	S	*	.	H	α-helix	trans	-67.7	-46	175.5	-175.1	178.7	179.7	173.1	-0.4	112.5	T961 K966 A967	T961-R963 PolarHBondContact O-N 3.19Å; T961-R963 VanDerWaalsContact O-N 3.17Å; R963-K966 PolarHBondContact O-N 3.03Å; R963-A967 PolarHBondContact O-N 3.18Å; R963-A967 VanDerWaalsContact O-N 3.09Å
964	E	90.1	Very high	88.8	Confident	46 Å²	46	66.2 Å²	66.2	22%	0.215	34%	0.344	C	S	.	.	H	α-helix	trans	-65.8	-39.8	176.4	-75.9	167	142.6	0	0	111.3	L939 V940 V960 T961 K966 A967 A968	L939-E964 WeakPolarHBondContact O-CG 3.39Å; V940-E964 HydrophobicContact CG2-CB 4.31Å; V940-E964 VanDerWaalsContact CG2-O 3.27Å; V940-E964 WeakPolarHBondContact CG2-O 3.45Å; V960-E964 WeakPolarHBondContact CA-OE2 3.41Å; V960-E964 HydrophobicContact CB-CB 3.73Å; V960-E964 HydrophobicContact CG1-CB 4.07Å; T961-E964 WeakPolarHBondContact CB-OE2 3.36Å; T961-E964 WeakPolarHBondContact CG2-OE2 3.42Å; T961-E964 PolarHBondContact N-OE2 3.24Å; T961-E964 PolarHBondContact O-N 2.92Å; T961-E964 VanDerWaalsContact O-N 3.09Å; T961-E964 WeakPolarHBondContact OG1-CB 3.45Å; T961-E964 VanDerWaalsContact OG1-CG 3.28Å; T961-E964 WeakPolarHBondContact OG1-CG 3.37Å; T961-E964 PolarHBondContact OG1-N 3.36Å; T961-E964 PolarHBondContact OG1-OE2 3.13Å; E964-K966 PolarHBondContact O-N 3.22Å; E964-A967 PolarHBondContact O-N 3.5Å; E964-A968 WeakPolarHBondContact O-CB 3.44Å; E964-A968 PolarHBondContact O-N 2.92Å
965	A	90.6	Very high	87.5	Confident	42 Å²	42	67.3 Å²	67.3	35%	0.347	35%	0.348	S	S	.	.	H	α-helix	trans	-59.3	-47	176.1	0	0	0	0	0	111.5	V960 T961 A967 A968 A969	V960-A965 HydrophobicContact CG2-CB 3.83Å; T961-A965 WeakPolarHBondContact O-CB 3.25Å; T961-A965 PolarHBondContact O-N 2.88Å; A965-A967 PolarHBondContact O-N 3.08Å; A965-A968 PolarHBondContact O-N 3.46Å; A965-A969 WeakPolarHBondContact O-CB 3.1Å; A965-A969 PolarHBondContact O-N 3.06Å
966	K	91.6	Very high	85.5	Confident	146 Å²	146	70.3 Å²	70.3	64%	0.635	37%	0.365	S	S	*	.	H	α-helix	trans	-62.1	-43.1	176.3	-170.4	173	-176.7	174.8	0	112	E962 R963 E964 A969 D970	E962-K966 PolarHBondContact O-N 3.25Å; E962-K966 VanDerWaalsContact O-N 3.08Å; R963-K966 PolarHBondContact O-N 3.03Å; E964-K966 PolarHBondContact O-N 3.22Å; K966-A969 PolarHBondContact O-N 3.43Å; K966-D970 WeakPolarHBondContact O-CB 3.32Å; K966-D970 VanDerWaalsContact O-CG 3.26Å; K966-D970 PolarHBondContact O-N 2.94Å
967	A	90.7	Very high	83.2	Confident	13 Å²	13	79.3 Å²	79.3	11%	0.107	41%	0.405	C	S	.	.	H	α-helix	trans	-65.2	-39	177.1	0	0	0	0	0	112.7	L939 V940 R963 E964 A965 D970 I971	L939-A967 HydrophobicContact CB-CB 4.1Å; L939-A967 HydrophobicContact CD1-CB 4.26Å; V940-A967 HydrophobicContact CG2-CB 3.56Å; R963-A967 PolarHBondContact O-N 3.18Å; R963-A967 VanDerWaalsContact O-N 3.09Å; E964-A967 PolarHBondContact O-N 3.5Å; A965-A967 PolarHBondContact O-N 3.08Å; A967-D970 PolarHBondContact O-N 2.61Å; A967-I971 VanDerWaalsContact O-CG1 3.31Å; A967-I971 WeakPolarHBondContact O-CG1 3.39Å; A967-I971 PolarHBondContact O-N 3.38Å
968	A	90.2	Very high	82.8	Confident	3 Å²	3	82.2 Å²	82.2	3%	0.025	42%	0.42	C	S	.	.	H	α-helix	trans	-65.9	-42.1	176	0	0	0	0	0	111.3	L934 V940 V945 L956 E964 A965 I971 A972	L934-A968 HydrophobicContact CD2-CB 4.26Å; V940-A968 HydrophobicContact CG1-CB 4.17Å; V940-A968 HydrophobicContact CG2-CB 4.23Å; V945-A968 HydrophobicContact CG2-CB 4.42Å; L956-A968 HydrophobicContact CD1-CB 4Å; E964-A968 WeakPolarHBondContact O-CB 3.44Å; E964-A968 PolarHBondContact O-N 2.92Å; A965-A968 PolarHBondContact O-N 3.46Å; A968-I971 PolarHBondContact O-N 3.35Å; A968-A972 PolarHBondContact O-N 2.73Å
969	A	91.4	Very high	82.6	Confident	49 Å²	49	84.9 Å²	84.9	41%	0.405	43%	0.426	S	S	.	.	H	α-helix	trans	-62.9	-40.5	174	0	0	0	0	0	112.1	A965 K966 I971 A972 S973	A965-A969 WeakPolarHBondContact O-CB 3.1Å; A965-A969 PolarHBondContact O-N 3.06Å; K966-A969 PolarHBondContact O-N 3.43Å; A969-I971 VanDerWaalsContact C-N 3.32Å; A969-I971 PolarHBondContact O-N 3.23Å; A969-A972 PolarHBondContact O-N 3.33Å; A969-S973 WeakPolarHBondContact O-CB 3.42Å; A969-S973 PolarHBondContact O-N 3.22Å; A969-S973 PolarHBondContact O-OG 3.43Å
970	D	90.2	Very high	82.6	Confident	74 Å²	74	84.6 Å²	84.6	40%	0.396	42%	0.423	S	S	.	.	H	α-helix	trans	-67.6	-27.6	175.8	-74.6	-16.9	0	0	0	113.3	K966 A967 S973 R974	K966-D970 WeakPolarHBondContact O-CB 3.32Å; K966-D970 VanDerWaalsContact O-CG 3.26Å; K966-D970 PolarHBondContact O-N 2.94Å; A967-D970 PolarHBondContact O-N 2.61Å; D970-S973 PolarHBondContact O-OG 3.15Å; D970-R974 WeakPolarHBondContact O-CG 3.41Å; D970-R974 PolarHBondContact O-NE 3.27Å
971	I	87.8	Confident	82.4	Confident	12 Å²	12	86.6 Å²	86.6	6%	0.062	43%	0.43	C	S	.	.	H	α-helix	trans	-74.6	-45.3	173	-72.4	164.9	0	0	0	109.9	Q933 L934 A967 A968 A969 H975	Q933-I971 HydrophobicContact CB-CG2 3.58Å; L934-I971 HydrophobicContact CD2-CD1 3.91Å; L934-I971 HydrophobicContact CD2-CG2 4.35Å; L934-I971 HydrophobicContact CG-CG2 4.28Å; A967-I971 VanDerWaalsContact O-CG1 3.31Å; A967-I971 WeakPolarHBondContact O-CG1 3.39Å; A967-I971 PolarHBondContact O-N 3.38Å; A968-I971 PolarHBondContact O-N 3.35Å; A969-I971 VanDerWaalsContact C-N 3.32Å; A969-I971 PolarHBondContact O-N 3.23Å; I971-H975 PolarHBondContact O-CD2 3.27Å
972	A	88.4	Confident	82	Confident	10 Å²	10	86.9 Å²	86.9	8%	0.083	43%	0.425	C	S	.	.	H	α-helix	trans	-65.2	-39.7	178.9	0	0	0	0	0	112.5	V930 V954 L956 A968 A969 R974 H975	V930-A972 HydrophobicContact CG1-CB 4.3Å; V954-A972 HydrophobicContact CG1-CB 4.08Å; L956-A972 HydrophobicContact CD1-CB 4.06Å; A968-A972 PolarHBondContact O-N 2.73Å; A969-A972 PolarHBondContact O-N 3.33Å; A972-R974 VanDerWaalsContact C-N 3.31Å; A972-R974 PolarHBondContact O-N 3.46Å; A972-H975 PolarHBondContact O-N 3.18Å
973	S	86.3	Confident	81.6	Confident	64 Å²	64	80.5 Å²	80.5	45%	0.448	40%	0.397	S	S	.	.	H	α-helix	trans	-67	-26.5	-176	67	0	0	0	0	114.2	A969 D970 H975	A969-S973 WeakPolarHBondContact O-CB 3.42Å; A969-S973 PolarHBondContact O-N 3.22Å; A969-S973 PolarHBondContact O-OG 3.43Å; D970-S973 PolarHBondContact O-OG 3.15Å; S973-H975 PolarHBondContact O-N 3.28Å
974	R	78.9	Confident	81.1	Confident	166 Å²	166	72.4 Å²	72.4	63%	0.626	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-12.6	176.5	-70.7	178.1	-135.8	-168.4	1.8	114	D970 A972	D970-R974 WeakPolarHBondContact O-CG 3.41Å; D970-R974 PolarHBondContact O-NE 3.27Å; A972-R974 VanDerWaalsContact C-N 3.31Å; A972-R974 PolarHBondContact O-N 3.46Å
975	H	65.2	Low	80.4	Confident	53 Å²	53	74.5 Å²	74.5	25%	0.245	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	7	-173.9	-68.2	-52	0	0	0	114.5	Q933 I971 A972 S973	Q933-H975 PolarHBondContact NE2-CE1 2.84Å; Q933-H975 PolarHBondContact NE2-NE2 2.85Å; Q933-H975 PolarHBondContact OE1-CD2 3.04Å; Q933-H975 VanDerWaalsContact OE1-CD2 3.28Å; Q933-H975 PolarHBondContact OE1-NE2 3.11Å; I971-H975 PolarHBondContact O-CD2 3.27Å; A972-H975 PolarHBondContact O-N 3.18Å; S973-H975 PolarHBondContact O-N 3.28Å
976	N	52.3	Low	79.6	Confident	90 Å²	90	77.2 Å²	77.2	48%	0.481	39%	0.389	S	S	.	.			trans	-105.9	37	176	-153.9	9	0	0	0	112.1	G952	G952-N976 PolarHBondContact O-ND2 2.93Å; G952-N976 PolarHBondContact O-OD1 3.29Å
977	Q	41.8	Very low	78.5	Confident	246 Å²	246	70.9 Å²	70.9	100%	1.15	37%	0.366	S	S	*	.			trans	-116.2	0	174.7	-71.8	-164.4	16.3	0	0	111.9

Retrieved 977 of 977 residues in 1283.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).