A0A5K4FBF1_SCHMA Loading...

Mismatch repair endonuclease PMS2

AlphaFold DB , UniProt , Accession A0A5K4FBF1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 800 aa.

						>A0A5K4FBF1_SCHMA|A0A5K4FBF1
MNSMDSDISTISRLDKNLVHKICSGQVVVTLASAVKELLENSIDAKSSKIEIRLRGHGSESIEVIDNGVGIREEDFEGLTGKYCTSKLSTFDDLSCVETYGFRGEALSSLCHLAKVTIHTCALNAKIGTKLEFDSSGQITDSRSLARSQGTTVCVNQLFYDLPVRRRHLTDPNRLPKEFAKVISLLTAYCLVSIGVQISCSRIGKKGELINVISNGPSISLKDNISAVFGHAQLDNLVELEQIDTIPEDICEEFNIKSSSIGHSIKISGYVSKPPDPSTNTSSLIGNSSPSPSLANKRRTSIGYSSSERQFIYINGRPCDLPKITRLATDLWRRCSKEAYSSITSGISLPNRSTTSTFPVLILLFTMPTQSVDINLTPDKRTLLLHHENYVMALAKAVLVKTLFNSSGMDISSLSQTKIDFDQSQIVTNCDQLNDESQVNCVSTPIHKRHSSPVSDISCVSPKRAHYSYDQTPSLQFDIIDLTTLENSTHQSNNVQEISCENSQPSNLKVDQLEESRSEYEIVEDQLFFSDNNLQSIEVNFSMENLRNQWKQILYSIPISNNDNNLYNIPNTTDNSIDDKHIEENIMFGKFTSMESQEAENELTTYFKKETFNSLKVIGQFNLGFIIAQHNQDLFIIDQHASDEKYRFEQLSENYRFKSQPLVVPQKLNLTITNEQVLINNLDVFARNGFAFRIHSDEPAGQQISLVAAPMLENKLFSYRDIEEMLFVLSETCNKKCRPSRLRDILASRSCRSAVMIGTALDHKKMKRILTNMGSMDHPWNCPHGRPTMRHLYHLNPLNE
					

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	38.4	Very low	57.9	Low	240 Å²	240	152.9 Å²	152.9	100%	1.182	85%	0.851	S	S	*	*				0	85.9	0	-79.9	167.6	153	0	0	107.4
2	N	42	Very low	60.1	Low	162 Å²	162	148.2 Å²	148.2	87%	0.866	84%	0.836	S	S	*	*			trans	-142.2	129.4	171.2	-93.6	-14.1	0	0	0	107.8
3	S	47.2	Very low	61.9	Low	113 Å²	113	155 Å²	155	79%	0.79	84%	0.84	S	S	*	*			trans	62.3	81.4	172.2	76.4	0	0	0	0	117.9
4	M	51.4	Low	63.5	Low	180 Å²	180	150.4 Å²	150.4	89%	0.887	81%	0.814	S	S	*	*			trans	-116.2	33.9	149.2	-85.9	-86.9	-179	0	0	109.6
5	D	52.2	Low	65	Low	167 Å²	167	146.7 Å²	146.7	89%	0.893	79%	0.794	S	S	*	*			trans	-100.2	68.5	165.6	-73.9	-27	0	0	0	107.9
6	S	53.5	Low	66	Low	95 Å²	95	148.3 Å²	148.3	66%	0.664	79%	0.791	S	S	*	*			trans	-103.6	101.8	169.8	57.4	0	0	0	0	109
7	D	58.4	Low	66.8	Low	150 Å²	150	145.8 Å²	145.8	80%	0.802	78%	0.778	S	S	*	*			trans	67.6	79.2	153.4	-56	-23.5	0	0	0	117.8	S9	D7-S9 VanDerWaalsContact C-N 3.32Å; D7-S9 PolarHBondContact O-N 3.11Å
8	I	64.3	Low	67.5	Low	164 Å²	164	142.1 Å²	142.1	84%	0.841	76%	0.758	S	S	*	*			trans	-60.2	101.3	147.9	-59.5	169.8	0	0	0	106.5	T10	I8-T10 PolarHBondContact O-N 3.04Å
9	S	70.7	Confident	68.2	Low	107 Å²	107	137.7 Å²	137.7	75%	0.748	74%	0.737	S	S	*	*			trans	-58.4	112.6	177.3	59.1	0	0	0	0	109.7	D7	D7-S9 VanDerWaalsContact C-N 3.32Å; D7-S9 PolarHBondContact O-N 3.11Å
10	T	79.3	Confident	68.7	Low	123 Å²	123	131.8 Å²	131.8	76%	0.755	70%	0.704	S	S	*	*			trans	-77.2	135.4	174.3	46.1	0	0	0	0	109.6	I8 S12	I8-T10 PolarHBondContact O-N 3.04Å; T10-S12 PolarHBondContact O-N 2.78Å
11	I	80	Confident	69.1	Low	181 Å²	181	129.4 Å²	129.4	93%	0.928	69%	0.687	S	S	*	*			trans	-62.4	122.1	175.2	-61.9	173.8	0	0	0	108
12	S	84.1	Confident	71.1	Confident	96 Å²	96	121.8 Å²	121.8	67%	0.671	65%	0.651	S	S	*	*			trans	-123.3	153.6	179.3	60.4	0	0	0	0	111.5	T10 L14	T10-S12 PolarHBondContact O-N 2.78Å; S12-L14 PolarHBondContact O-N 2.78Å
13	R	83.4	Confident	72.9	Confident	237 Å²	237	115.5 Å²	115.5	89%	0.894	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-70.2	126.2	177.6	-174	174.9	-177.3	153.9	2.8	109.4
14	L	84	Confident	74.5	Confident	91 Å²	91	110.1 Å²	110.1	48%	0.476	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-64.1	145.3	175.5	-60	173.9	0	0	0	110.8	S12 L18 V19 I22	S12-L14 PolarHBondContact O-N 2.78Å; L14-L18 HydrophobicContact CB-CD2 4.34Å; L14-L18 HydrophobicContact CD2-CD2 3.74Å; L14-L18 HydrophobicContact CG-CD2 4.47Å; L14-V19 HydrophobicContact CB-CG2 3.72Å; L14-V19 HydrophobicContact CD1-CG2 4.46Å; L14-I22 HydrophobicContact CD1-CD1 4.13Å
15	D	85.5	Confident	75.8	Confident	95 Å²	95	102.3 Å²	102.3	51%	0.508	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-59	145.9	172	178.8	30.3	0	0	0	111	N17 L18 V19	D15-N17 PolarHBondContact O-N 2.9Å; D15-N17 WeakPolarHBondContact OD2-CB 3.36Å; D15-N17 PolarHBondContact OD2-ND2 2.65Å; D15-L18 HydrophobicContact CB-CB 4.36Å; D15-L18 WeakPolarHBondContact O-CB 3.23Å; D15-L18 PolarHBondContact O-N 2.68Å; D15-V19 WeakPolarHBondContact O-CG2 3.4Å; D15-V19 PolarHBondContact O-N 3.01Å
16	K	81.4	Confident	77.2	Confident	171 Å²	171	100.3 Å²	100.3	74%	0.743	53%	0.532	S	S	*	.	H	α-helix	trans	-56.4	-37.9	-179.9	-70.1	-176.9	178.2	-180	0	111.9	H20	K16-H20 WeakPolarHBondContact O-CB 3.33Å; K16-H20 PolarHBondContact O-N 3Å
17	N	79.3	Confident	78.4	Confident	106 Å²	106	96.9 Å²	96.9	57%	0.567	51%	0.507	S	S	*	.	H	α-helix	trans	-67.9	-37.7	177.2	-64.6	-41.4	0	0	0	112.1	D15 H20 K21	D15-N17 PolarHBondContact O-N 2.9Å; D15-N17 WeakPolarHBondContact OD2-CB 3.36Å; D15-N17 PolarHBondContact OD2-ND2 2.65Å; N17-H20 WeakPolarHBondContact O-CB 3.45Å; N17-H20 PolarHBondContact O-N 3.22Å; N17-K21 PolarHBondContact O-N 2.85Å
18	L	80.2	Confident	79.7	Confident	80 Å²	80	89.7 Å²	89.7	42%	0.419	47%	0.469	S	S	.	.	H	α-helix	trans	-69.1	-43.5	177.2	-175.7	61.3	0	0	0	111.4	L14 D15 H20 K21 I22	L14-L18 HydrophobicContact CB-CD2 4.34Å; L14-L18 HydrophobicContact CD2-CD2 3.74Å; L14-L18 HydrophobicContact CG-CD2 4.47Å; D15-L18 HydrophobicContact CB-CB 4.36Å; D15-L18 WeakPolarHBondContact O-CB 3.23Å; D15-L18 PolarHBondContact O-N 2.68Å; L18-H20 PolarHBondContact O-N 2.81Å; L18-K21 PolarHBondContact O-N 3.17Å; L18-I22 HydrophobicContact CD1-CD1 4.41Å; L18-I22 HydrophobicContact CG-CD1 4.15Å; L18-I22 WeakPolarHBondContact O-CG1 3.16Å; L18-I22 PolarHBondContact O-N 2.85Å
19	V	81.5	Confident	80.8	Confident	59 Å²	59	85.6 Å²	85.6	36%	0.358	45%	0.451	S	S	.	.	H	α-helix	trans	-57.6	-41.9	171	176.2	0	0	0	0	110	L14 D15 I22 C23	L14-V19 HydrophobicContact CB-CG2 3.72Å; L14-V19 HydrophobicContact CD1-CG2 4.46Å; D15-V19 WeakPolarHBondContact O-CG2 3.4Å; D15-V19 PolarHBondContact O-N 3.01Å; V19-I22 PolarHBondContact O-N 3.43Å; V19-C23 WeakPolarHBondContact O-CB 3.5Å; V19-C23 PolarHBondContact O-N 3.15Å; V19-C23 PolarHBondContact O-SG 3.31Å
20	H	77.2	Confident	81.7	Confident	19 Å²	19	82.7 Å²	82.7	9%	0.088	43%	0.429	C	S	.	.	H	α-helix	trans	-57.1	-53.3	176.1	-167.9	171	0	0	0	111.4	K16 N17 L18 I22 C23 S24 K82	K16-H20 WeakPolarHBondContact O-CB 3.33Å; K16-H20 PolarHBondContact O-N 3Å; N17-H20 WeakPolarHBondContact O-CB 3.45Å; N17-H20 PolarHBondContact O-N 3.22Å; L18-H20 PolarHBondContact O-N 2.81Å; H20-I22 VanDerWaalsContact C-N 3.31Å; H20-I22 PolarHBondContact O-N 3.01Å; H20-C23 PolarHBondContact O-N 3.22Å; H20-S24 PolarHBondContact CD2-OG 3.2Å; H20-S24 PolarHBondContact NE2-OG 2.77Å; H20-S24 PolarHBondContact O-N 2.78Å; H20-S24 PolarHBondContact O-OG 3.05Å; H20-K82 WeakPolarHBondContact CD2-CE 3.08Å; H20-K82 PolarHBondContact CD2-NZ 2.9Å; H20-K82 VanDerWaalsContact CD2-NZ 3.28Å; H20-K82 WeakPolarHBondContact NE2-CE 3.48Å
21	K	77.7	Confident	82.4	Confident	81 Å²	81	76.8 Å²	76.8	35%	0.352	39%	0.393	S	S	.	.	H	α-helix	trans	-56.4	-42.8	179.6	-175.2	155.6	-161.6	165.4	0	113.3	N17 L18 G25 H112 D161	N17-K21 PolarHBondContact O-N 2.85Å; L18-K21 PolarHBondContact O-N 3.17Å; K21-G25 PolarHBondContact O-N 2.6Å; K21-H112 WeakPolarHBondContact CA-NE2 3.03Å; K21-H112 WeakPolarHBondContact CB-NE2 3.25Å; K21-H112 VanDerWaalsContact CG-NE2 3.3Å; K21-H112 WeakPolarHBondContact CG-NE2 3.39Å; K21-D161 WeakPolarHBondContact CE-OD2 3.44Å; K21-D161 IonicContact NZ-OD2 2.81Å; K21-D161 PolarHBondContact NZ-OD2 2.81Å
22	I	79.6	Confident	83.1	Confident	80 Å²	80	68.5 Å²	68.5	41%	0.41	35%	0.352	S	S	.	.	H	α-helix	trans	-67.5	-50.5	179.8	-65.6	167.8	0	0	0	110.9	L14 L18 V19 H20 G25 Q26	L14-I22 HydrophobicContact CD1-CD1 4.13Å; L18-I22 HydrophobicContact CD1-CD1 4.41Å; L18-I22 HydrophobicContact CG-CD1 4.15Å; L18-I22 WeakPolarHBondContact O-CG1 3.16Å; L18-I22 PolarHBondContact O-N 2.85Å; V19-I22 PolarHBondContact O-N 3.43Å; H20-I22 VanDerWaalsContact C-N 3.31Å; H20-I22 PolarHBondContact O-N 3.01Å; I22-G25 PolarHBondContact O-N 3.25Å; I22-Q26 PolarHBondContact O-N 2.71Å
23	C	79.9	Confident	83.4	Confident	31 Å²	31	64.3 Å²	64.3	21%	0.209	32%	0.322	C	S	.	.	H	α-helix	trans	-64	-44.9	-177.8	-65.8	0	0	0	0	112.1	V19 H20 G25 Q26 V27	V19-C23 WeakPolarHBondContact O-CB 3.5Å; V19-C23 PolarHBondContact O-N 3.15Å; V19-C23 PolarHBondContact O-SG 3.31Å; H20-C23 PolarHBondContact O-N 3.22Å; C23-G25 VanDerWaalsContact C-N 3.28Å; C23-G25 PolarHBondContact O-N 2.78Å; C23-Q26 WeakPolarHBondContact O-CB 3.36Å; C23-Q26 PolarHBondContact O-N 2.81Å; C23-V27 WeakPolarHBondContact O-CG2 3.43Å; C23-V27 PolarHBondContact O-N 2.73Å; C23-V27 VanDerWaalsContact O-N 3.1Å
24	S	80.4	Confident	83.9	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.1	-38.1	-178.4	-64.1	0	0	0	0	112.3	H20 Q26 V27 V28 S109 L113	H20-S24 PolarHBondContact CD2-OG 3.2Å; H20-S24 PolarHBondContact NE2-OG 2.77Å; H20-S24 PolarHBondContact O-N 2.78Å; H20-S24 PolarHBondContact O-OG 3.05Å; S24-Q26 PolarHBondContact O-N 2.78Å; S24-V27 PolarHBondContact O-N 3.11Å; S24-V28 PolarHBondContact O-N 3.35Å; S24-S109 WeakPolarHBondContact OG-CA 3.44Å; S24-S109 PolarHBondContact OG-OG 3.06Å; S24-L113 WeakPolarHBondContact O-CD1 3.45Å
25	G	78.8	Confident	84.5	Confident	15 Å²	15	48.7 Å²	48.7	16%	0.155	26%	0.257	C	S	.	.	H	α-helix	trans	-62.3	-26.8	175.3	0	0	0	0	0	114.2	K21 I22 C23 R165	K21-G25 PolarHBondContact O-N 2.6Å; I22-G25 PolarHBondContact O-N 3.25Å; C23-G25 VanDerWaalsContact C-N 3.28Å; C23-G25 PolarHBondContact O-N 2.78Å; G25-R165 PolarHBondContact O-NH1 3.28Å
26	Q	81.4	Confident	84.8	Confident	125 Å²	125	44.7 Å²	44.7	58%	0.584	24%	0.235	S	C	*	.	H	α-helix	trans	-85.6	-31	177.8	-67.8	175.8	-21.5	0	0	113.1	I22 C23 S24 V29	I22-Q26 PolarHBondContact O-N 2.71Å; C23-Q26 WeakPolarHBondContact O-CB 3.36Å; C23-Q26 PolarHBondContact O-N 2.81Å; S24-Q26 PolarHBondContact O-N 2.78Å; Q26-V29 VanDerWaalsContact O-CG2 3.31Å; Q26-V29 WeakPolarHBondContact O-CG2 3.4Å
27	V	80.4	Confident	85.3	Confident	23 Å²	23	37.1 Å²	37.1	14%	0.139	20%	0.202	C	C	.	.	H	α-helix	trans	-73.8	-51.3	-179.1	175.4	0	0	0	0	111	C23 S24 S33	C23-V27 WeakPolarHBondContact O-CG2 3.43Å; C23-V27 PolarHBondContact O-N 2.73Å; C23-V27 VanDerWaalsContact O-N 3.1Å; S24-V27 PolarHBondContact O-N 3.11Å; V27-S33 PolarHBondContact O-OG 3.34Å
28	V	85.5	Confident	86	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.176	C	C	.	.			trans	-106.1	96.7	179.1	-179.3	0	0	0	0	109.4	S24 A34 L110 L113 F159 R165	S24-V28 PolarHBondContact O-N 3.35Å; V28-A34 HydrophobicContact CG1-CB 3.78Å; V28-L110 HydrophobicContact CG1-CD2 4.24Å; V28-L110 HydrophobicContact CG2-CD2 4.22Å; V28-L110 HydrophobicContact CG2-CG 4.44Å; V28-L113 HydrophobicContact CB-CD1 3.63Å; V28-L113 HydrophobicContact CG1-CD1 4.2Å; V28-L113 HydrophobicContact CG2-CD1 4.4Å; V28-F159 HydrophobicContact CG1-CE1 4.45Å; V28-R165 PolarHBondContact O-NH2 2.94Å
29	V	86.6	Confident	86.7	Confident	78 Å²	78	28.3 Å²	28.3	47%	0.473	16%	0.156	S	C	.	.			trans	-90.8	-40.2	-174.8	-174.3	0	0	0	0	112.3	Q26 R165	Q26-V29 VanDerWaalsContact O-CG2 3.31Å; Q26-V29 WeakPolarHBondContact O-CG2 3.4Å; V29-R165 PolarHBondContact O-NH2 2.9Å
30	T	90.6	Very high	87.3	Confident	45 Å²	45	25.5 Å²	25.5	28%	0.276	14%	0.139	S	C	.	.	S	Bend	trans	-127.5	167.2	-172	62.5	0	0	0	0	111.7	A32 S33 A34	T30-A32 VanDerWaalsContact C-N 3.27Å; T30-A32 PolarHBondContact O-N 2.87Å; T30-S33 PolarHBondContact O-N 2.9Å; T30-S33 PolarHBondContact OG1-N 3.01Å; T30-S33 VanDerWaalsContact OG1-N 3.14Å; T30-A34 PolarHBondContact O-N 3Å
31	L	93.9	Very high	87.9	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.3	-41.3	172.3	178.2	64.4	0	0	0	111.3	S33 A34 V35 H57 I62 L158 L169 V182	L31-S33 VanDerWaalsContact C-N 3.34Å; L31-S33 PolarHBondContact O-N 3.05Å; L31-A34 PolarHBondContact O-N 2.85Å; L31-V35 WeakPolarHBondContact O-CG2 3.44Å; L31-V35 PolarHBondContact O-N 2.83Å; L31-V35 VanDerWaalsContact O-N 3.09Å; L31-H57 VanDerWaalsContact CD2-O 3.24Å; L31-H57 WeakPolarHBondContact CD2-O 3.5Å; L31-I62 HydrophobicContact CD1-CD1 3.44Å; L31-I62 VanDerWaalsContact CD1-CD1 3.44Å; L31-I62 HydrophobicContact CD1-CG1 4.02Å; L31-L158 HydrophobicContact CD1-CD2 3.91Å; L31-L169 HydrophobicContact CB-CD1 4.05Å; L31-L169 HydrophobicContact CD2-CD1 4.47Å; L31-V182 HydrophobicContact CB-CG2 4.27Å; L31-V182 HydrophobicContact CD2-CG2 3.77Å; L31-V182 HydrophobicContact CG-CG2 3.65Å
32	A	93.4	Very high	88.7	Confident	7 Å²	7	23.2 Å²	23.2	6%	0.058	13%	0.131	C	C	.	.	H	α-helix	trans	-61.7	-40.2	176.8	0	0	0	0	0	112.3	T30 V35 K36 K181 V182 L185	T30-A32 VanDerWaalsContact C-N 3.27Å; T30-A32 PolarHBondContact O-N 2.87Å; A32-V35 PolarHBondContact O-N 2.91Å; A32-K36 VanDerWaalsContact O-CB 3.3Å; A32-K36 WeakPolarHBondContact O-CB 3.46Å; A32-K36 PolarHBondContact O-N 3.26Å; A32-K181 HydrophobicContact CB-CB 4.24Å; A32-V182 HydrophobicContact CB-CG2 4.13Å; A32-L185 HydrophobicContact CB-CD2 4.35Å; A32-L185 VanDerWaalsContact O-CD2 3.23Å; A32-L185 WeakPolarHBondContact O-CD2 3.42Å
33	S	91.3	Very high	89.3	Confident	8 Å²	8	20.8 Å²	20.8	6%	0.056	12%	0.118	C	C	.	.	H	α-helix	trans	-61.9	-42.7	174.7	166.9	0	0	0	0	111.8	V27 T30 L31 V35 K36 E37	V27-S33 PolarHBondContact O-OG 3.34Å; T30-S33 PolarHBondContact O-N 2.9Å; T30-S33 PolarHBondContact OG1-N 3.01Å; T30-S33 VanDerWaalsContact OG1-N 3.14Å; L31-S33 VanDerWaalsContact C-N 3.34Å; L31-S33 PolarHBondContact O-N 3.05Å; S33-V35 PolarHBondContact O-N 2.82Å; S33-K36 WeakPolarHBondContact O-CB 3.48Å; S33-K36 PolarHBondContact O-N 2.9Å; S33-E37 WeakPolarHBondContact O-CG 3.42Å; S33-E37 PolarHBondContact O-N 3.37Å; S33-E37 VanDerWaalsContact O-N 3.07Å
34	A	93.6	Very high	89.8	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.4	-46.5	175.9	0	0	0	0	0	112.2	V28 T30 L31 L38 I62 L110 L158	V28-A34 HydrophobicContact CG1-CB 3.78Å; T30-A34 PolarHBondContact O-N 3Å; L31-A34 PolarHBondContact O-N 2.85Å; A34-L38 WeakPolarHBondContact O-CG 3.46Å; A34-L38 PolarHBondContact O-N 3.44Å; A34-I62 HydrophobicContact CB-CD1 4.2Å; A34-L110 HydrophobicContact CB-CD2 3.89Å; A34-L158 HydrophobicContact CB-CD1 4.46Å; A34-L158 HydrophobicContact CB-CD2 4.1Å
35	V	96	Very high	90.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.5	-40.3	178	176	0	0	0	0	111.4	L31 A32 S33 L38 L39 I52 L54 I62 V182 L186	L31-V35 WeakPolarHBondContact O-CG2 3.44Å; L31-V35 PolarHBondContact O-N 2.83Å; L31-V35 VanDerWaalsContact O-N 3.09Å; A32-V35 PolarHBondContact O-N 2.91Å; S33-V35 PolarHBondContact O-N 2.82Å; V35-L38 PolarHBondContact O-N 2.83Å; V35-L39 VanDerWaalsContact O-CB 3.3Å; V35-L39 WeakPolarHBondContact O-CB 3.39Å; V35-L39 PolarHBondContact O-N 3.17Å; V35-I52 HydrophobicContact CG1-CD1 4.27Å; V35-I52 HydrophobicContact CG1-CG2 4.47Å; V35-L54 HydrophobicContact CG2-CD2 4.4Å; V35-I62 HydrophobicContact CG2-CD1 4.3Å; V35-I62 HydrophobicContact CG2-CG2 3.98Å; V35-V182 HydrophobicContact CB-CG1 4.25Å; V35-V182 HydrophobicContact CG1-CG1 4.08Å; V35-V182 HydrophobicContact CG2-CG1 4.01Å; V35-V182 HydrophobicContact CG2-CG2 4.4Å; V35-L186 HydrophobicContact CG1-CD2 3.85Å; V35-L186 HydrophobicContact CG1-CG 4.4Å
36	K	92.5	Very high	90.8	Very high	10 Å²	10	29.9 Å²	29.9	4%	0.043	16%	0.156	C	C	.	.	H	α-helix	trans	-56.1	-53.6	176.8	-179.2	-175.9	158.6	-67.2	0	111.3	A32 S33 L38 L39 E40 L185 Y189 D379	A32-K36 VanDerWaalsContact O-CB 3.3Å; A32-K36 WeakPolarHBondContact O-CB 3.46Å; A32-K36 PolarHBondContact O-N 3.26Å; S33-K36 WeakPolarHBondContact O-CB 3.48Å; S33-K36 PolarHBondContact O-N 2.9Å; K36-L38 VanDerWaalsContact C-N 3.3Å; K36-L38 PolarHBondContact O-N 2.92Å; K36-L39 PolarHBondContact O-N 2.9Å; K36-E40 WeakPolarHBondContact CE-OE1 3.46Å; K36-E40 HydrophobicContact CG-CG 4.25Å; K36-E40 IonicContact NZ-OE1 3.87Å; K36-E40 PolarHBondContact NZ-OE1 3.12Å; K36-E40 VanDerWaalsContact NZ-OE1 3.1Å; K36-E40 IonicContact NZ-OE2 3.36Å; K36-E40 PolarHBondContact NZ-OE2 2.93Å; K36-E40 WeakPolarHBondContact O-CB 3.41Å; K36-E40 WeakPolarHBondContact O-CG 3.4Å; K36-E40 PolarHBondContact O-N 3.43Å; K36-L185 HydrophobicContact CB-CD1 4.24Å; K36-L185 HydrophobicContact CB-CD2 3.68Å; K36-L185 HydrophobicContact CD-CD1 4.3Å; K36-L185 HydrophobicContact CG-CD1 4.24Å; K36-Y189 HydrophobicContact CG-CE2 4.5Å; K36-D379 VanDerWaalsContact CE-O 3.3Å; K36-D379 WeakPolarHBondContact CE-O 3.4Å
37	E	91.1	Very high	91.4	Very high	12 Å²	12	24.1 Å²	24.1	6%	0.056	13%	0.13	C	C	.	.	H	α-helix	trans	-64.4	-36.3	-175.5	-61.9	-61.8	126.5	0	0	111.7	S33 N41 A106 K380	S33-E37 WeakPolarHBondContact O-CG 3.42Å; S33-E37 PolarHBondContact O-N 3.37Å; S33-E37 VanDerWaalsContact O-N 3.07Å; E37-N41 WeakPolarHBondContact O-CB 3.4Å; E37-N41 PolarHBondContact O-N 2.86Å; E37-N41 PolarHBondContact O-ND2 3.45Å; E37-A106 HydrophobicContact CB-CB 3.94Å; E37-A106 HydrophobicContact CG-CB 4.3Å; E37-K380 IonicContact OE2-NZ 2.74Å
38	L	94.9	Very high	92.1	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-68.2	-43.7	174.6	-65.9	178.8	0	0	0	112.4	A34 V35 K36 N41 S42 I62 V64 L107 L110 V153 V155	A34-L38 WeakPolarHBondContact O-CG 3.46Å; A34-L38 PolarHBondContact O-N 3.44Å; V35-L38 PolarHBondContact O-N 2.83Å; K36-L38 VanDerWaalsContact C-N 3.3Å; K36-L38 PolarHBondContact O-N 2.92Å; L38-N41 PolarHBondContact O-N 3.05Å; L38-S42 PolarHBondContact O-N 3.33Å; L38-S42 PolarHBondContact O-OG 2.94Å; L38-I62 HydrophobicContact CD1-CG2 4.19Å; L38-V64 HydrophobicContact CB-CB 4.16Å; L38-V64 HydrophobicContact CB-CG1 4.42Å; L38-V64 HydrophobicContact CB-CG2 3.68Å; L38-V64 HydrophobicContact CD1-CB 4.48Å; L38-V64 HydrophobicContact CD1-CG2 3.79Å; L38-V64 HydrophobicContact CG-CG2 4.4Å; L38-L107 HydrophobicContact CD2-CD2 3.96Å; L38-L110 HydrophobicContact CD1-CD1 4.45Å; L38-L110 HydrophobicContact CD2-CD1 3.61Å; L38-L110 HydrophobicContact CG-CD1 3.94Å; L38-V153 HydrophobicContact CD1-CG1 4.4Å; L38-V153 HydrophobicContact CD2-CB 3.94Å; L38-V153 HydrophobicContact CD2-CG1 3.56Å; L38-V153 HydrophobicContact CD2-CG2 4.31Å; L38-V155 HydrophobicContact CD1-CG2 3.77Å
39	L	95.2	Very high	92.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.6	-46.9	177.3	174	60.9	0	0	0	111.5	V35 K36 N41 S42 I43 I50 I52 L186 Y189 I198	V35-L39 VanDerWaalsContact O-CB 3.3Å; V35-L39 WeakPolarHBondContact O-CB 3.39Å; V35-L39 PolarHBondContact O-N 3.17Å; K36-L39 PolarHBondContact O-N 2.9Å; L39-N41 VanDerWaalsContact C-N 3.32Å; L39-N41 PolarHBondContact O-N 2.85Å; L39-S42 WeakPolarHBondContact O-CB 3.21Å; L39-S42 PolarHBondContact O-N 2.82Å; L39-S42 VanDerWaalsContact O-N 3.15Å; L39-I43 HydrophobicContact CD1-CD1 4.17Å; L39-I43 HydrophobicContact CD1-CG1 4.37Å; L39-I43 HydrophobicContact CG-CD1 4.09Å; L39-I43 WeakPolarHBondContact O-CG1 3.36Å; L39-I43 PolarHBondContact O-N 2.84Å; L39-I50 HydrophobicContact CD1-CD1 3.8Å; L39-I50 HydrophobicContact CD1-CG2 3.93Å; L39-I52 HydrophobicContact CD1-CD1 4.37Å; L39-L186 HydrophobicContact CD2-CD2 3.69Å; L39-Y189 HydrophobicContact CD2-CD1 4.05Å; L39-Y189 HydrophobicContact CD2-CD2 3.61Å; L39-Y189 HydrophobicContact CD2-CE2 4.24Å; L39-Y189 HydrophobicContact CD2-CG 3.5Å; L39-Y189 HydrophobicContact CG-CG 4.42Å; L39-I198 HydrophobicContact CD1-CD1 4.14Å; L39-I198 HydrophobicContact CD1-CG1 4.48Å; L39-I198 HydrophobicContact CD1-CG2 4.41Å
40	E	92.5	Very high	93.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.3	-42.6	176.7	-76.7	-174.3	159	0	0	111.3	K36 S42 I43 D44 Y100 Y189 R317	K36-E40 WeakPolarHBondContact CE-OE1 3.46Å; K36-E40 HydrophobicContact CG-CG 4.25Å; K36-E40 IonicContact NZ-OE1 3.87Å; K36-E40 PolarHBondContact NZ-OE1 3.12Å; K36-E40 VanDerWaalsContact NZ-OE1 3.1Å; K36-E40 IonicContact NZ-OE2 3.36Å; K36-E40 PolarHBondContact NZ-OE2 2.93Å; K36-E40 WeakPolarHBondContact O-CB 3.41Å; K36-E40 WeakPolarHBondContact O-CG 3.4Å; K36-E40 PolarHBondContact O-N 3.43Å; E40-S42 VanDerWaalsContact C-N 3.34Å; E40-S42 PolarHBondContact O-N 3.3Å; E40-I43 PolarHBondContact O-N 3.3Å; E40-D44 WeakPolarHBondContact O-CB 3.39Å; E40-D44 PolarHBondContact O-N 3.21Å; E40-Y100 HydrophobicContact CB-CG 4.22Å; E40-Y100 HydrophobicContact CG-CD1 3.84Å; E40-Y100 HydrophobicContact CG-CG 3.85Å; E40-Y100 WeakPolarHBondContact OE1-CD1 3.35Å; E40-Y189 HydrophobicContact CG-CE1 4.21Å; E40-Y189 WeakPolarHBondContact CG-OH 3.31Å; E40-Y189 PolarHBondContact OE1-OH 2.85Å; E40-R317 IonicContact OE1-CZ 2.91Å; E40-R317 IonicContact OE1-NH2 2.69Å; E40-R317 PolarHBondContact OE1-NH2 2.96Å; E40-R317 VanDerWaalsContact OE1-NH2 3.15Å; E40-R317 IonicContact OE2-NH2 4Å
41	N	91.1	Very high	93.4	Very high	48 Å²	48	26.6 Å²	26.6	26%	0.257	14%	0.137	S	C	.	.	H	α-helix	trans	-61.7	-40.5	174.4	-74.2	-20.1	0	0	0	112.4	E37 L38 L39 D44 A45	E37-N41 WeakPolarHBondContact O-CB 3.4Å; E37-N41 PolarHBondContact O-N 2.86Å; E37-N41 PolarHBondContact O-ND2 3.45Å; L38-N41 PolarHBondContact O-N 3.05Å; L39-N41 VanDerWaalsContact C-N 3.32Å; L39-N41 PolarHBondContact O-N 2.85Å; N41-D44 PolarHBondContact O-N 2.72Å; N41-A45 WeakPolarHBondContact O-CB 3.3Å; N41-A45 PolarHBondContact O-N 2.88Å
42	S	94.4	Very high	93.6	Very high	4 Å²	4	26.6 Å²	26.6	3%	0.028	14%	0.137	C	C	.	.	H	α-helix	trans	-67.1	-36.1	176.3	-67.8	0	0	0	0	112.6	L38 L39 E40 A45 S47 D66	L38-S42 PolarHBondContact O-N 3.33Å; L38-S42 PolarHBondContact O-OG 2.94Å; L39-S42 WeakPolarHBondContact O-CB 3.21Å; L39-S42 PolarHBondContact O-N 2.82Å; L39-S42 VanDerWaalsContact O-N 3.15Å; E40-S42 VanDerWaalsContact C-N 3.34Å; E40-S42 PolarHBondContact O-N 3.3Å; S42-A45 PolarHBondContact O-N 2.94Å; S42-S47 WeakPolarHBondContact O-CB 3.14Å; S42-S47 PolarHBondContact O-N 3.42Å; S42-D66 PolarHBondContact OG-OD1 3.4Å
43	I	92.4	Very high	93.7	Very high	28 Å²	28	29.3 Å²	29.3	14%	0.144	15%	0.146	C	C	.	.	H	α-helix	trans	-66.9	-46.6	174	-66.1	167.7	0	0	0	110.2	L39 E40 A45 K46 I50 Y100 Y189	L39-I43 HydrophobicContact CD1-CD1 4.17Å; L39-I43 HydrophobicContact CD1-CG1 4.37Å; L39-I43 HydrophobicContact CG-CD1 4.09Å; L39-I43 WeakPolarHBondContact O-CG1 3.36Å; L39-I43 PolarHBondContact O-N 2.84Å; E40-I43 PolarHBondContact O-N 3.3Å; I43-A45 PolarHBondContact O-N 2.88Å; I43-K46 PolarHBondContact O-N 3.31Å; I43-I50 HydrophobicContact CG1-CD1 3.71Å; I43-Y100 HydrophobicContact CB-CD2 4.41Å; I43-Y100 HydrophobicContact CB-CE2 4.48Å; I43-Y100 HydrophobicContact CG2-CD2 3.93Å; I43-Y100 HydrophobicContact CG2-CE2 3.65Å; I43-Y189 HydrophobicContact CD1-CD1 3.71Å; I43-Y189 HydrophobicContact CD1-CE1 4.04Å
44	D	90.4	Very high	94	Very high	36 Å²	36	29 Å²	29	19%	0.193	14%	0.144	C	C	.	.	H	α-helix	trans	-62.8	-24.4	177.8	-72.6	-21.9	0	0	0	112.4	E40 N41 K46 K87 T99 Y100 G101	E40-D44 WeakPolarHBondContact O-CB 3.39Å; E40-D44 PolarHBondContact O-N 3.21Å; N41-D44 PolarHBondContact O-N 2.72Å; D44-K46 PolarHBondContact O-N 2.89Å; D44-K87 VanDerWaalsContact CB-NZ 3.34Å; D44-K87 VanDerWaalsContact CG-NZ 3.29Å; D44-K87 IonicContact OD2-NZ 3.26Å; D44-K87 PolarHBondContact OD2-NZ 2.68Å; D44-T99 WeakPolarHBondContact OD1-CA 3.4Å; D44-T99 WeakPolarHBondContact OD1-CB 3.31Å; D44-Y100 PolarHBondContact OD1-N 3.01Å; D44-Y100 PolarHBondContact OD2-N 3.34Å; D44-G101 PolarHBondContact OD2-N 2.81Å
45	A	89.9	Confident	94	Very high	23 Å²	23	33.7 Å²	33.7	19%	0.19	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	11.1	172.2	0	0	0	0	0	114.1	N41 S42 I43 S47 G68 V69	N41-A45 WeakPolarHBondContact O-CB 3.3Å; N41-A45 PolarHBondContact O-N 2.88Å; S42-A45 PolarHBondContact O-N 2.94Å; I43-A45 PolarHBondContact O-N 2.88Å; A45-S47 PolarHBondContact O-N 2.99Å; A45-G68 VanDerWaalsContact O-CA 3.3Å; A45-G68 WeakPolarHBondContact O-CA 3.3Å; A45-V69 HydrophobicContact CB-CG2 4.41Å; A45-V69 PolarHBondContact O-N 3.13Å
46	K	90.6	Very high	93.7	Very high	178 Å²	178	34.5 Å²	34.5	77%	0.774	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	36.2	-177.6	-57.8	-176.8	178.3	-179.1	0	113	I43 D44	I43-K46 PolarHBondContact O-N 3.31Å; D44-K46 PolarHBondContact O-N 2.89Å
47	S	93.3	Very high	93.6	Very high	4 Å²	4	35 Å²	35	3%	0.028	17%	0.172	C	C	.	.			trans	-67	137.9	175.3	-176.4	0	0	0	0	111.2	S42 A45 K49 I50 N67 V196	S42-S47 WeakPolarHBondContact O-CB 3.14Å; S42-S47 PolarHBondContact O-N 3.42Å; A45-S47 PolarHBondContact O-N 2.99Å; S47-K49 PolarHBondContact OG-N 3.18Å; S47-K49 PolarHBondContact OG-O 3.17Å; S47-I50 WeakPolarHBondContact OG-CG1 3.22Å; S47-N67 PolarHBondContact OG-N 3.46Å; S47-N67 PolarHBondContact OG-OD1 3.17Å; S47-V196 WeakPolarHBondContact O-CG1 3.45Å; S47-V196 WeakPolarHBondContact O-CG2 3.23Å
48	S	93.9	Very high	93.7	Very high	65 Å²	65	34.5 Å²	34.5	46%	0.455	17%	0.17	S	C	.	.	S	Bend	trans	-98.2	-15.9	170.7	53.1	0	0	0	0	112.4	N67 V196 Q197	S48-N67 PolarHBondContact N-OD1 3.33Å; S48-N67 PolarHBondContact OG-ND2 2.88Å; S48-N67 PolarHBondContact OG-OD1 3.32Å; S48-V196 CarbonylContact O-C 3.59Å; S48-V196 WeakPolarHBondContact O-CA 3.42Å; S48-Q197 PolarHBondContact O-N 2.84Å
49	K	95.9	Very high	93.5	Very high	95 Å²	95	34.8 Å²	34.8	41%	0.413	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	122.2	178.5	-173.8	178.1	179.8	-178	0	110.5	S47 D66 N67 Q197	S47-K49 PolarHBondContact OG-N 3.18Å; S47-K49 PolarHBondContact OG-O 3.17Å; K49-D66 WeakPolarHBondContact O-CA 3.28Å; K49-N67 PolarHBondContact N-OD1 3.01Å; K49-N67 PolarHBondContact O-N 3.03Å; K49-N67 PolarHBondContact O-OD1 2.87Å; K49-Q197 CarbonylContact C-O 3.59Å; K49-Q197 WeakPolarHBondContact CA-O 3.34Å; K49-Q197 HydrophobicContact CG-CB 4.37Å
50	I	97.5	Very high	93.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.1	179.9	-53.1	173	0	0	0	108.7	L39 I43 S47 I52 V64 I65 D66 V196 Q197 I198 S199	L39-I50 HydrophobicContact CD1-CD1 3.8Å; L39-I50 HydrophobicContact CD1-CG2 3.93Å; I43-I50 HydrophobicContact CG1-CD1 3.71Å; S47-I50 WeakPolarHBondContact OG-CG1 3.22Å; I50-I52 HydrophobicContact CG2-CG1 4.3Å; I50-V64 HydrophobicContact CG2-CG1 3.96Å; I50-I65 CarbonylContact C-O 3.41Å; I50-I65 VanDerWaalsContact CA-O 3.31Å; I50-I65 WeakPolarHBondContact CA-O 3.33Å; I50-D66 HydrophobicContact CG1-CB 4.46Å; I50-V196 HydrophobicContact CD1-CG1 3.9Å; I50-V196 HydrophobicContact CG1-CG1 4.16Å; I50-Q197 PolarHBondContact N-O 3.41Å; I50-I198 HydrophobicContact CB-CG1 4.44Å; I50-I198 HydrophobicContact CD1-CG1 4.49Å; I50-I198 CarbonylContact O-C 3.58Å; I50-I198 WeakPolarHBondContact O-CA 3.35Å; I50-S199 PolarHBondContact O-N 3.22Å; I50-S199 PolarHBondContact O-OG 3.21Å
51	E	97	Very high	93.6	Very high	39 Å²	39	40.4 Å²	40.4	18%	0.182	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.9	176.7	-176.3	-177.2	168.4	0	0	110	R53 I65 S199	E51-R53 VanDerWaalsContact CD-NH2 3.34Å; E51-R53 HydrophobicContact CG-CG 4.36Å; E51-R53 IonicContact OE1-CZ 2.77Å; E51-R53 IonicContact OE1-NE 3.85Å; E51-R53 PolarHBondContact OE1-NE 2.85Å; E51-R53 IonicContact OE1-NH2 2.6Å; E51-R53 PolarHBondContact OE1-NH2 2.81Å; E51-R53 IonicContact OE2-NH2 3.84Å; E51-R53 PolarHBondContact OE2-NH2 3.31Å; E51-I65 HydrophobicContact CB-CB 4.26Å; E51-I65 PolarHBondContact N-O 2.77Å; E51-I65 PolarHBondContact O-N 3Å; E51-S199 CarbonylContact C-O 3.48Å; E51-S199 WeakPolarHBondContact CA-O 3.28Å
52	I	98	Very high	93.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	118.9	-177.9	-56.5	173.3	0	0	0	108.6	V35 L39 I50 L54 E63 V64 L186 S199 C200 S201	V35-I52 HydrophobicContact CG1-CD1 4.27Å; V35-I52 HydrophobicContact CG1-CG2 4.47Å; L39-I52 HydrophobicContact CD1-CD1 4.37Å; I50-I52 HydrophobicContact CG2-CG1 4.3Å; I52-L54 HydrophobicContact CG2-CD2 4.08Å; I52-L54 HydrophobicContact CG2-CG 4.22Å; I52-E63 CarbonylContact C-O 3.59Å; I52-E63 WeakPolarHBondContact CA-O 3.13Å; I52-V64 HydrophobicContact CG1-CG1 4.42Å; I52-V64 HydrophobicContact CG1-CG2 4.26Å; I52-V64 HydrophobicContact CG2-CG2 4.37Å; I52-L186 HydrophobicContact CD1-CD1 3.97Å; I52-L186 HydrophobicContact CD1-CD2 3.34Å; I52-L186 HydrophobicContact CD1-CG 4.31Å; I52-S199 PolarHBondContact N-O 2.89Å; I52-C200 HydrophobicContact CB-CB 4.22Å; I52-C200 CarbonylContact O-C 3.59Å; I52-C200 WeakPolarHBondContact O-CA 3.12Å; I52-S201 PolarHBondContact O-N 3.19Å
53	R	96.7	Very high	94.1	Very high	63 Å²	63	40.2 Å²	40.2	24%	0.238	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125	177.9	-60.5	173.2	177.6	164.4	4.4	110.6	E51 E63 S201 I203 L209	E51-R53 VanDerWaalsContact CD-NH2 3.34Å; E51-R53 HydrophobicContact CG-CG 4.36Å; E51-R53 IonicContact OE1-CZ 2.77Å; E51-R53 IonicContact OE1-NE 3.85Å; E51-R53 PolarHBondContact OE1-NE 2.85Å; E51-R53 IonicContact OE1-NH2 2.6Å; E51-R53 PolarHBondContact OE1-NH2 2.81Å; E51-R53 IonicContact OE2-NH2 3.84Å; E51-R53 PolarHBondContact OE2-NH2 3.31Å; R53-E63 HydrophobicContact CB-CB 4.19Å; R53-E63 VanDerWaalsContact CD-OE2 3.31Å; R53-E63 WeakPolarHBondContact CD-OE2 3.36Å; R53-E63 PolarHBondContact N-O 3.37Å; R53-E63 IonicContact NH1-OE1 2.78Å; R53-E63 IonicContact NH1-OE2 3.17Å; R53-E63 PolarHBondContact O-N 2.81Å; R53-S201 CarbonylContact C-O 3.56Å; R53-S201 WeakPolarHBondContact CA-O 3.46Å; R53-I203 HydrophobicContact CB-CD1 4.2Å; R53-L209 HydrophobicContact CG-CD2 4.36Å
54	L	96.4	Very high	94.4	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	117	-177.3	-59.6	178.1	0	0	0	110.6	V35 I52 I62 F179 V182 S201 R202 I203	V35-L54 HydrophobicContact CG2-CD2 4.4Å; I52-L54 HydrophobicContact CG2-CD2 4.08Å; I52-L54 HydrophobicContact CG2-CG 4.22Å; L54-I62 HydrophobicContact CD2-CB 4.27Å; L54-I62 HydrophobicContact CD2-CG1 4.13Å; L54-I62 HydrophobicContact CD2-CG2 3.9Å; L54-F179 HydrophobicContact CD1-CD2 4.24Å; L54-F179 HydrophobicContact CD1-CE2 3.77Å; L54-V182 HydrophobicContact CD1-CG1 4.01Å; L54-S201 PolarHBondContact N-O 2.95Å; L54-R202 WeakPolarHBondContact O-CA 3.3Å; L54-I203 PolarHBondContact O-N 3.47Å
55	R	94	Very high	94.7	Very high	100 Å²	100	38.7 Å²	38.7	38%	0.377	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	137	173.4	-169	-179.1	-79.8	-96.1	-0.2	110.5	H57 G58 E60 S61 I203	R55-H57 VanDerWaalsContact C-N 3.26Å; R55-H57 PolarHBondContact O-N 2.86Å; R55-G58 WeakPolarHBondContact O-CA 3.37Å; R55-G58 PolarHBondContact O-N 2.78Å; R55-E60 HydrophobicContact CB-CB 4.21Å; R55-E60 VanDerWaalsContact CD-OE2 3.22Å; R55-E60 WeakPolarHBondContact CD-OE2 3.17Å; R55-E60 HydrophobicContact CG-CB 4.12Å; R55-E60 VanDerWaalsContact CG-OE2 3.28Å; R55-E60 WeakPolarHBondContact CG-OE2 3.25Å; R55-E60 PolarHBondContact O-N 2.8Å; R55-S61 WeakPolarHBondContact CB-OG 3.49Å; R55-S61 PolarHBondContact N-O 2.79Å; R55-I203 HydrophobicContact CB-CB 4.33Å; R55-I203 HydrophobicContact CB-CD1 4.07Å; R55-I203 HydrophobicContact CG-CB 4.38Å
56	G	89.6	Confident	95	Very high	17 Å²	17	38 Å²	38	18%	0.175	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	56.8	42.5	-177.3	0	0	0	0	0	111.9	G58 S59	G56-G58 PolarHBondContact O-N 3.19Å; G56-S59 WeakPolarHBondContact O-CB 3.29Å; G56-S59 PolarHBondContact O-N 3.23Å; G56-S59 VanDerWaalsContact O-N 3.11Å; G56-S59 PolarHBondContact O-OG 2.77Å
57	H	90.6	Very high	95.2	Very high	20 Å²	20	32.6 Å²	32.6	9%	0.093	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	58.4	21.2	-172	-61.2	-83.4	0	0	0	114.9	L31 R55 L175 F179 R202	L31-H57 VanDerWaalsContact CD2-O 3.24Å; L31-H57 WeakPolarHBondContact CD2-O 3.5Å; R55-H57 VanDerWaalsContact C-N 3.26Å; R55-H57 PolarHBondContact O-N 2.86Å; H57-L175 HydrophobicContact CB-CD1 3.89Å; H57-L175 HydrophobicContact CB-CD2 4.16Å; H57-L175 HydrophobicContact CB-CG 3.87Å; H57-F179 HydrophobicContact CB-CB 4.06Å; H57-F179 HydrophobicContact CB-CD2 3.71Å; H57-F179 HydrophobicContact CB-CE2 4.45Å; H57-F179 HydrophobicContact CB-CG 4.05Å; H57-F179 AromaticContact ND1-CD1 3.74Å; H57-F179 AromaticContact ND1-CD2 3.66Å; H57-F179 AromaticContact ND1-CE2 3.98Å; H57-F179 AromaticContact ND1-CG 3.52Å; H57-R202 PolarHBondContact CE1-NH1 2.84Å; H57-R202 PolarHBondContact CE1-NH2 3.48Å; H57-R202 PolarHBondContact NE2-NH2 3.26Å
58	G	92.9	Very high	95.3	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.01	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	94.2	-5.6	-177.8	0	0	0	0	0	114.3	R55 G56	R55-G58 WeakPolarHBondContact O-CA 3.37Å; R55-G58 PolarHBondContact O-N 2.78Å; G56-G58 PolarHBondContact O-N 3.19Å
59	S	92.2	Very high	95.2	Very high	9 Å²	9	32.9 Å²	32.9	6%	0.063	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-27.2	177.6	68.2	0	0	0	0	113.3	G56 R166	G56-S59 WeakPolarHBondContact O-CB 3.29Å; G56-S59 PolarHBondContact O-N 3.23Å; G56-S59 VanDerWaalsContact O-N 3.11Å; G56-S59 PolarHBondContact O-OG 2.77Å; S59-R166 VanDerWaalsContact O-CZ 3.3Å; S59-R166 PolarHBondContact O-NH1 2.9Å; S59-R166 PolarHBondContact O-NH2 2.92Å
60	E	93.8	Very high	94.9	Very high	102 Å²	102	29 Å²	29	48%	0.477	15%	0.147	S	C	.	.	S	Bend	trans	-88.8	-55.1	177.6	-68.5	175.5	-151.4	0	0	111.1	R55 Q157	R55-E60 HydrophobicContact CB-CB 4.21Å; R55-E60 VanDerWaalsContact CD-OE2 3.22Å; R55-E60 WeakPolarHBondContact CD-OE2 3.17Å; R55-E60 HydrophobicContact CG-CB 4.12Å; R55-E60 VanDerWaalsContact CG-OE2 3.28Å; R55-E60 WeakPolarHBondContact CG-OE2 3.25Å; R55-E60 PolarHBondContact O-N 2.8Å; E60-Q157 PolarHBondContact O-N 2.94Å
61	S	95.8	Very high	94.7	Very high	15 Å²	15	30.2 Å²	30.2	11%	0.105	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	147	178.1	72.9	0	0	0	0	112.6	R55 V155 N156	R55-S61 WeakPolarHBondContact CB-OG 3.49Å; R55-S61 PolarHBondContact N-O 2.79Å; S61-V155 CarbonylContact C-O 3.55Å; S61-V155 WeakPolarHBondContact CA-O 3.37Å; S61-N156 WeakPolarHBondContact CB-OD1 3.28Å
62	I	97.6	Very high	94.3	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.7	169.5	-52.2	164	0	0	0	106.2	L31 A34 V35 L38 L54 V64 C154 V155 L158	L31-I62 HydrophobicContact CD1-CD1 3.44Å; L31-I62 VanDerWaalsContact CD1-CD1 3.44Å; L31-I62 HydrophobicContact CD1-CG1 4.02Å; A34-I62 HydrophobicContact CB-CD1 4.2Å; V35-I62 HydrophobicContact CG2-CD1 4.3Å; V35-I62 HydrophobicContact CG2-CG2 3.98Å; L38-I62 HydrophobicContact CD1-CG2 4.19Å; L54-I62 HydrophobicContact CD2-CB 4.27Å; L54-I62 HydrophobicContact CD2-CG1 4.13Å; L54-I62 HydrophobicContact CD2-CG2 3.9Å; I62-V64 HydrophobicContact CG2-CG2 4.28Å; I62-C154 CarbonylContact O-C 3.27Å; I62-C154 WeakPolarHBondContact O-CA 3.37Å; I62-V155 HydrophobicContact CB-CB 4.25Å; I62-V155 PolarHBondContact N-O 3.17Å; I62-V155 PolarHBondContact O-N 3.18Å; I62-L158 HydrophobicContact CD1-CD2 4.35Å
63	E	97.5	Very high	93.8	Very high	47 Å²	47	42.6 Å²	42.6	22%	0.22	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.8	176.2	176	-176.3	-163	0	0	108.1	I52 R53 I65 T152 V153	I52-E63 CarbonylContact C-O 3.59Å; I52-E63 WeakPolarHBondContact CA-O 3.13Å; R53-E63 HydrophobicContact CB-CB 4.19Å; R53-E63 VanDerWaalsContact CD-OE2 3.31Å; R53-E63 WeakPolarHBondContact CD-OE2 3.36Å; R53-E63 PolarHBondContact N-O 3.37Å; R53-E63 IonicContact NH1-OE1 2.78Å; R53-E63 IonicContact NH1-OE2 3.17Å; R53-E63 PolarHBondContact O-N 2.81Å; E63-I65 HydrophobicContact CG-CD1 4.18Å; E63-I65 HydrophobicContact CG-CG1 3.86Å; E63-T152 HydrophobicContact CG-CG2 3.73Å; E63-V153 WeakPolarHBondContact CA-O 2.99Å
64	V	97.9	Very high	93.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	117.9	175.5	-179.7	0	0	0	0	108	L38 I50 I52 I62 T152 V153	L38-V64 HydrophobicContact CB-CB 4.16Å; L38-V64 HydrophobicContact CB-CG1 4.42Å; L38-V64 HydrophobicContact CB-CG2 3.68Å; L38-V64 HydrophobicContact CD1-CB 4.48Å; L38-V64 HydrophobicContact CD1-CG2 3.79Å; L38-V64 HydrophobicContact CG-CG2 4.4Å; I50-V64 HydrophobicContact CG2-CG1 3.96Å; I52-V64 HydrophobicContact CG1-CG1 4.42Å; I52-V64 HydrophobicContact CG1-CG2 4.26Å; I52-V64 HydrophobicContact CG2-CG2 4.37Å; I62-V64 HydrophobicContact CG2-CG2 4.28Å; V64-T152 CarbonylContact O-C 3.6Å; V64-T152 WeakPolarHBondContact O-CA 3.45Å; V64-V153 PolarHBondContact N-O 3.34Å; V64-V153 PolarHBondContact O-N 3.41Å
65	I	97.3	Very high	92.9	Very high	32 Å²	32	49.3 Å²	49.3	16%	0.164	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	121.2	-175.2	-51.8	170.9	0	0	0	107.6	I50 E51 E63 T152	I50-I65 CarbonylContact C-O 3.41Å; I50-I65 VanDerWaalsContact CA-O 3.31Å; I50-I65 WeakPolarHBondContact CA-O 3.33Å; E51-I65 HydrophobicContact CB-CB 4.26Å; E51-I65 PolarHBondContact N-O 2.77Å; E51-I65 PolarHBondContact O-N 3Å; E63-I65 HydrophobicContact CG-CD1 4.18Å; E63-I65 HydrophobicContact CG-CG1 3.86Å; I65-T152 HydrophobicContact CG1-CG2 3.89Å; I65-T152 WeakPolarHBondContact CG2-OG1 3.49Å
66	D	96.8	Very high	92.6	Very high	9 Å²	9	45.3 Å²	45.3	5%	0.048	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	155.7	174.7	74.5	-110.2	0	0	0	112.1	S42 K49 I50 G68 G150 T151	S42-D66 PolarHBondContact OG-OD1 3.4Å; K49-D66 WeakPolarHBondContact O-CA 3.28Å; I50-D66 HydrophobicContact CG1-CB 4.46Å; D66-G68 PolarHBondContact OD2-N 2.78Å; D66-G150 CarbonylContact O-C 3.58Å; D66-G150 WeakPolarHBondContact O-CA 3.35Å; D66-T151 VanDerWaalsContact CG-O 3.31Å; D66-T151 PolarHBondContact N-O 2.91Å; D66-T151 PolarHBondContact O-N 2.87Å; D66-T151 WeakPolarHBondContact OD1-CB 3.34Å; D66-T151 VanDerWaalsContact OD1-O 3.07Å; D66-T151 PolarHBondContact OD2-N 2.95Å
67	N	95.5	Very high	92.3	Very high	64 Å²	64	52.8 Å²	52.8	34%	0.342	26%	0.258	S	S	.	.			trans	-105.7	29.5	172	73.2	-19.1	0	0	0	112.1	S47 S48 K49	S47-N67 PolarHBondContact OG-N 3.46Å; S47-N67 PolarHBondContact OG-OD1 3.17Å; S48-N67 PolarHBondContact N-OD1 3.33Å; S48-N67 PolarHBondContact OG-ND2 2.88Å; S48-N67 PolarHBondContact OG-OD1 3.32Å; K49-N67 PolarHBondContact N-OD1 3.01Å; K49-N67 PolarHBondContact O-N 3.03Å; K49-N67 PolarHBondContact O-OD1 2.87Å
68	G	93.5	Very high	91.9	Very high	2 Å²	2	53.4 Å²	53.4	2%	0.021	27%	0.269	C	S	.	.	S	Bend	trans	-72.2	-159.6	-177.9	0	0	0	0	0	113.6	A45 D66 G70 Q149 G150	A45-G68 VanDerWaalsContact O-CA 3.3Å; A45-G68 WeakPolarHBondContact O-CA 3.3Å; D66-G68 PolarHBondContact OD2-N 2.78Å; G68-G70 PolarHBondContact O-N 2.57Å; G68-G70 VanDerWaalsContact O-N 3.17Å; G68-Q149 WeakPolarHBondContact O-CG 3.45Å; G68-Q149 PolarHBondContact O-NE2 3.08Å; G68-G150 WeakPolarHBondContact O-CA 3.38Å
69	V	92.5	Very high	91.2	Very high	74 Å²	74	55.3 Å²	55.3	45%	0.448	28%	0.279	S	S	.	.	S	Bend	trans	-64.4	-19.8	-177.1	-66.8	0	0	0	0	114.8	A45 A122 L123	A45-V69 HydrophobicContact CB-CG2 4.41Å; A45-V69 PolarHBondContact O-N 3.13Å; V69-A122 WeakPolarHBondContact O-CA 3.43Å; V69-L123 PolarHBondContact O-N 3.45Å
70	G	90.9	Very high	90.5	Very high	12 Å²	12	55 Å²	55	12%	0.124	28%	0.277	C	S	.	.			trans	71.2	174	-168.9	0	0	0	0	0	112.5	G68	G68-G70 PolarHBondContact O-N 2.57Å; G68-G70 VanDerWaalsContact O-N 3.17Å
71	I	91.5	Very high	89.5	Confident	27 Å²	27	51.2 Å²	51.2	14%	0.138	27%	0.265	C	S	.	.			trans	-108	134.3	-176.9	-57.7	156.5	0	0	0	108.1	D75 F76 L79 I118 T120 T151	I71-D75 HydrophobicContact CG2-CB 4.02Å; I71-F76 HydrophobicContact CB-CE1 4.28Å; I71-F76 HydrophobicContact CG2-CD1 3.83Å; I71-F76 HydrophobicContact CG2-CE1 4Å; I71-L79 HydrophobicContact CD1-CD1 3.61Å; I71-L79 HydrophobicContact CD1-CD2 3.62Å; I71-L79 HydrophobicContact CD1-CG 4.27Å; I71-L79 HydrophobicContact CG1-CD1 4.2Å; I71-L79 HydrophobicContact CG2-CD1 4.28Å; I71-I118 HydrophobicContact CD1-CG2 4.14Å; I71-T120 HydrophobicContact CB-CG2 3.88Å; I71-T120 HydrophobicContact CD1-CG2 4.37Å; I71-T120 PolarHBondContact N-OG1 3.45Å; I71-T151 HydrophobicContact CD1-CG2 3.85Å
72	R	90.5	Very high	88	Confident	148 Å²	148	53 Å²	53	56%	0.558	27%	0.271	S	S	*	.			trans	-79.5	152.6	178.7	-58.8	172.6	64.3	169.8	-0.9	110.3	E74 D75 F76 A122	R72-E74 VanDerWaalsContact C-N 3.28Å; R72-E74 HydrophobicContact CB-CG 4.08Å; R72-E74 VanDerWaalsContact CB-OE2 3.31Å; R72-E74 WeakPolarHBondContact CB-OE2 3.25Å; R72-E74 IonicContact CZ-OE1 4Å; R72-E74 IonicContact NE-OE1 3.31Å; R72-E74 PolarHBondContact NE-OE1 3.11Å; R72-E74 IonicContact NE-OE2 2.68Å; R72-E74 IonicContact NH1-OE1 2.71Å; R72-E74 IonicContact NH2-OE1 3.85Å; R72-E74 PolarHBondContact NH2-OE1 2.96Å; R72-E74 PolarHBondContact O-N 3.25Å; R72-D75 PolarHBondContact O-N 2.72Å; R72-F76 WeakPolarHBondContact O-CD1 3.42Å; R72-F76 VanDerWaalsContact O-CE1 3.3Å; R72-F76 WeakPolarHBondContact O-CE1 3.38Å; R72-A122 HydrophobicContact CG-CB 4.33Å
73	E	86.8	Confident	86.7	Confident	151 Å²	151	60 Å²	60	71%	0.706	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-62.3	-36.6	-173.9	-175.7	170.6	-174.5	0	0	112.5	D75 F76	E73-D75 PolarHBondContact O-N 2.77Å; E73-F76 HydrophobicContact CB-CD2 4.27Å; E73-F76 HydrophobicContact CB-CE2 3.93Å; E73-F76 HydrophobicContact CB-CZ 4.17Å; E73-F76 HydrophobicContact CG-CD2 3.92Å; E73-F76 HydrophobicContact CG-CE2 3.77Å; E73-F76 WeakPolarHBondContact O-CB 3.2Å; E73-F76 VanDerWaalsContact O-CG 3.28Å; E73-F76 WeakPolarHBondContact O-CG 3.34Å; E73-F76 PolarHBondContact O-N 3.19Å
74	E	86.6	Confident	85.4	Confident	118 Å²	118	60.8 Å²	60.8	55%	0.551	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-62.8	-22.9	174.2	55.8	-95.4	-126.7	0	0	114.2	R72	R72-E74 VanDerWaalsContact C-N 3.28Å; R72-E74 HydrophobicContact CB-CG 4.08Å; R72-E74 VanDerWaalsContact CB-OE2 3.31Å; R72-E74 WeakPolarHBondContact CB-OE2 3.25Å; R72-E74 IonicContact CZ-OE1 4Å; R72-E74 IonicContact NE-OE1 3.31Å; R72-E74 PolarHBondContact NE-OE1 3.11Å; R72-E74 IonicContact NE-OE2 2.68Å; R72-E74 IonicContact NH1-OE1 2.71Å; R72-E74 IonicContact NH2-OE1 3.85Å; R72-E74 PolarHBondContact NH2-OE1 2.96Å; R72-E74 PolarHBondContact O-N 3.25Å
75	D	87.6	Confident	84.2	Confident	87 Å²	87	63.2 Å²	63.2	47%	0.465	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-92	-5.3	179.7	-63.4	-43.8	0	0	0	112.2	I71 R72 E73 E77 G78 L79	I71-D75 HydrophobicContact CG2-CB 4.02Å; R72-D75 PolarHBondContact O-N 2.72Å; E73-D75 PolarHBondContact O-N 2.77Å; D75-E77 PolarHBondContact O-N 3.28Å; D75-G78 PolarHBondContact O-N 2.92Å; D75-L79 PolarHBondContact O-N 2.84Å
76	F	88.2	Confident	83.2	Confident	16 Å²	16	67.6 Å²	67.6	7%	0.07	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-45.5	-173.9	-70.9	-8.2	0	0	0	112.8	I71 R72 E73 G78 L79 T120 T129 L131 I139	I71-F76 HydrophobicContact CB-CE1 4.28Å; I71-F76 HydrophobicContact CG2-CD1 3.83Å; I71-F76 HydrophobicContact CG2-CE1 4Å; R72-F76 WeakPolarHBondContact O-CD1 3.42Å; R72-F76 VanDerWaalsContact O-CE1 3.3Å; R72-F76 WeakPolarHBondContact O-CE1 3.38Å; E73-F76 HydrophobicContact CB-CD2 4.27Å; E73-F76 HydrophobicContact CB-CE2 3.93Å; E73-F76 HydrophobicContact CB-CZ 4.17Å; E73-F76 HydrophobicContact CG-CD2 3.92Å; E73-F76 HydrophobicContact CG-CE2 3.77Å; E73-F76 WeakPolarHBondContact O-CB 3.2Å; E73-F76 VanDerWaalsContact O-CG 3.28Å; E73-F76 WeakPolarHBondContact O-CG 3.34Å; E73-F76 PolarHBondContact O-N 3.19Å; F76-G78 VanDerWaalsContact C-N 3.3Å; F76-G78 PolarHBondContact O-N 3.39Å; F76-L79 WeakPolarHBondContact O-CB 3.34Å; F76-L79 PolarHBondContact O-N 3.17Å; F76-T120 HydrophobicContact CE1-CG2 3.68Å; F76-T120 HydrophobicContact CZ-CG2 4.06Å; F76-T129 HydrophobicContact CE2-CG2 3.82Å; F76-T129 HydrophobicContact CZ-CG2 4.26Å; F76-L131 HydrophobicContact CB-CD1 4.1Å; F76-L131 HydrophobicContact CD1-CD1 3.71Å; F76-L131 HydrophobicContact CD2-CD1 4.11Å; F76-L131 HydrophobicContact CD2-CD2 3.86Å; F76-L131 HydrophobicContact CE1-CD1 4.1Å; F76-L131 HydrophobicContact CE2-CD1 4.47Å; F76-L131 HydrophobicContact CE2-CD2 4.22Å; F76-L131 HydrophobicContact CG-CD1 3.71Å; F76-L131 HydrophobicContact CG-CD2 4.24Å; F76-L131 HydrophobicContact CZ-CD1 4.47Å; F76-I139 HydrophobicContact CB-CD1 3.9Å
77	E	83.2	Confident	82.2	Confident	174 Å²	174	70.2 Å²	70.2	81%	0.813	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-31.5	179.1	-66.3	-173.1	175.1	0	0	112.3	D75 I139	D75-E77 PolarHBondContact O-N 3.28Å; E77-I139 HydrophobicContact CG-CD1 4.44Å
78	G	81.4	Confident	81.1	Confident	32 Å²	32	69.4 Å²	69.4	33%	0.33	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-16.9	-179.5	0	0	0	0	0	114.6	D75 F76 T80 G81 C84	D75-G78 PolarHBondContact O-N 2.92Å; F76-G78 VanDerWaalsContact C-N 3.3Å; F76-G78 PolarHBondContact O-N 3.39Å; G78-T80 VanDerWaalsContact C-N 3.31Å; G78-T80 PolarHBondContact O-N 3.43Å; G78-G81 PolarHBondContact O-N 2.92Å; G78-G81 VanDerWaalsContact O-N 3.13Å; G78-C84 WeakPolarHBondContact O-CB 3.46Å
79	L	79	Confident	80.3	Confident	41 Å²	41	74.3 Å²	74.3	22%	0.215	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-38.5	-170.9	-176.1	66.4	0	0	0	114.1	I71 D75 F76 L107 I118 F133	I71-L79 HydrophobicContact CD1-CD1 3.61Å; I71-L79 HydrophobicContact CD1-CD2 3.62Å; I71-L79 HydrophobicContact CD1-CG 4.27Å; I71-L79 HydrophobicContact CG1-CD1 4.2Å; I71-L79 HydrophobicContact CG2-CD1 4.28Å; D75-L79 PolarHBondContact O-N 2.84Å; F76-L79 WeakPolarHBondContact O-CB 3.34Å; F76-L79 PolarHBondContact O-N 3.17Å; L79-L107 HydrophobicContact CD1-CD1 3.73Å; L79-L107 HydrophobicContact CD2-CD1 4.48Å; L79-L107 HydrophobicContact CG-CD1 3.77Å; L79-I118 HydrophobicContact CD2-CD1 3.49Å; L79-I118 VanDerWaalsContact CD2-CD1 3.49Å; L79-I118 HydrophobicContact CD2-CG2 4.34Å; L79-I118 HydrophobicContact CG-CD1 4.3Å; L79-F133 HydrophobicContact CD2-CZ 4.04Å
80	T	76.9	Confident	79.7	Confident	2 Å²	2	74.3 Å²	74.3	1%	0.012	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	3.5	-179.3	41.8	0	0	0	0	112.2	G78 L107 S108 C111 F133 G137	G78-T80 VanDerWaalsContact C-N 3.31Å; G78-T80 PolarHBondContact O-N 3.43Å; T80-L107 HydrophobicContact CG2-CB 4.12Å; T80-S108 WeakPolarHBondContact O-CA 3.32Å; T80-S108 WeakPolarHBondContact O-CB 3.41Å; T80-S108 PolarHBondContact O-OG 3.23Å; T80-C111 WeakPolarHBondContact CG2-SG 3.46Å; T80-F133 HydrophobicContact CG2-CD1 3.57Å; T80-F133 HydrophobicContact CG2-CD2 4.28Å; T80-F133 HydrophobicContact CG2-CE1 3.56Å; T80-F133 HydrophobicContact CG2-CE2 4.3Å; T80-F133 HydrophobicContact CG2-CG 3.93Å; T80-F133 HydrophobicContact CG2-CZ 3.95Å; T80-F133 VanDerWaalsContact OG1-CD1 3.25Å; T80-F133 WeakPolarHBondContact OG1-CD1 3.4Å; T80-F133 WeakPolarHBondContact OG1-CE1 3.43Å; T80-G137 WeakPolarHBondContact CB-O 3.4Å; T80-G137 PolarHBondContact OG1-O 2.89Å
81	G	72.2	Confident	78.9	Confident	23 Å²	23	81.9 Å²	81.9	24%	0.237	43%	0.428	C	S	.	.	S	Bend	trans	-66.3	140.8	172.4	0	0	0	0	0	111.2	G78	G78-G81 PolarHBondContact O-N 2.92Å; G78-G81 VanDerWaalsContact O-N 3.13Å
82	K	65.5	Low	78.2	Confident	53 Å²	53	86.6 Å²	86.6	23%	0.23	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	140.4	173.9	-74.5	-164.4	172.8	-155.3	0	111	H20 C84 S108	H20-K82 WeakPolarHBondContact CD2-CE 3.08Å; H20-K82 PolarHBondContact CD2-NZ 2.9Å; H20-K82 VanDerWaalsContact CD2-NZ 3.28Å; H20-K82 WeakPolarHBondContact NE2-CE 3.48Å; K82-C84 PolarHBondContact O-N 3Å; K82-C84 VanDerWaalsContact O-N 3.15Å; K82-S108 WeakPolarHBondContact CG-OG 3.3Å
83	Y	70.1	Confident	77.5	Confident	148 Å²	148	82 Å²	82	58%	0.58	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	16.4	177.7	-47.5	-66.6	0	0	0	113.2	G104 E105	Y83-G104 PolarHBondContact N-O 2.81Å; Y83-E105 HydrophobicContact CD1-CG 4.31Å; Y83-E105 HydrophobicContact CE1-CG 4.08Å; Y83-E105 WeakPolarHBondContact CE1-OE1 3.48Å; Y83-E105 PolarHBondContact OH-OE1 3.23Å
84	C	68.7	Low	76.7	Confident	64 Å²	64	77.7 Å²	77.7	43%	0.432	42%	0.421	S	S	.	.			trans	-89	112.3	173.9	-64.3	0	0	0	0	108.3	G78 K82 G104	G78-C84 WeakPolarHBondContact O-CB 3.46Å; K82-C84 PolarHBondContact O-N 3Å; K82-C84 VanDerWaalsContact O-N 3.15Å; C84-G104 VanDerWaalsContact O-CA 3.26Å; C84-G104 WeakPolarHBondContact O-CA 3.41Å
85	T	74.5	Confident	75.9	Confident	50 Å²	50	75 Å²	75	31%	0.307	42%	0.416	S	S	.	.			trans	-144.4	140.2	179.1	-176	0	0	0	0	109.3	K87 L88 F102	T85-K87 VanDerWaalsContact C-N 3.29Å; T85-K87 PolarHBondContact OG1-N 3.42Å; T85-L88 HydrophobicContact CG2-CB 4.05Å; T85-F102 VanDerWaalsContact CB-O 3.3Å; T85-F102 WeakPolarHBondContact CB-O 3.46Å; T85-F102 WeakPolarHBondContact CG2-O 3.31Å; T85-F102 PolarHBondContact OG1-O 3.37Å; T85-F102 VanDerWaalsContact OG1-O 3.04Å
86	S	74.8	Confident	75.2	Confident	124 Å²	124	75 Å²	75	87%	0.867	42%	0.421	S	S	*	.	S	Bend	trans	-87.6	-1.6	172.2	54.4	0	0	0	0	112.9
87	K	76	Confident	74.5	Confident	65 Å²	65	75.3 Å²	75.3	28%	0.283	42%	0.424	S	S	.	.	S	Bend	trans	-101.9	-13.5	-165.6	-61.2	162.6	175.9	178.5	0	114.1	D44 T85 T99 G101	D44-K87 VanDerWaalsContact CB-NZ 3.34Å; D44-K87 VanDerWaalsContact CG-NZ 3.29Å; D44-K87 IonicContact OD2-NZ 3.26Å; D44-K87 PolarHBondContact OD2-NZ 2.68Å; T85-K87 VanDerWaalsContact C-N 3.29Å; T85-K87 PolarHBondContact OG1-N 3.42Å; K87-T99 HydrophobicContact CD-CG2 3.87Å; K87-T99 WeakPolarHBondContact CD-OG1 3.5Å; K87-T99 HydrophobicContact CG-CG2 4.13Å; K87-G101 WeakPolarHBondContact CD-O 3.38Å; K87-G101 WeakPolarHBondContact CE-O 3.19Å; K87-G101 PolarHBondContact NZ-O 2.75Å
88	L	73	Confident	74	Confident	46 Å²	46	75.4 Å²	75.4	24%	0.241	43%	0.425	C	S	.	.			trans	-135.7	132.1	-178.9	-68.1	176.7	0	0	0	109.4	T85 D93 L94 V97 F102	T85-L88 HydrophobicContact CG2-CB 4.05Å; L88-D93 HydrophobicContact CD2-CB 3.46Å; L88-D93 VanDerWaalsContact CD2-CB 3.46Å; L88-L94 HydrophobicContact CD1-CD1 4.5Å; L88-V97 HydrophobicContact CD2-CG2 3.47Å; L88-V97 VanDerWaalsContact CD2-CG2 3.47Å; L88-V97 HydrophobicContact CG-CG2 4.39Å; L88-F102 HydrophobicContact CD1-CB 3.81Å; L88-F102 HydrophobicContact CD1-CD2 3.56Å; L88-F102 HydrophobicContact CD1-CG 4.06Å; L88-F102 HydrophobicContact CG-CB 4.17Å
89	S	76.9	Confident	73.8	Confident	106 Å²	106	75.9 Å²	75.9	74%	0.741	42%	0.421	S	S	*	.	S	Bend	trans	-115.5	-33.7	174.2	68	0	0	0	0	111.9	D93	S89-D93 WeakPolarHBondContact CA-OD2 3.42Å; S89-D93 PolarHBondContact N-OD2 3.21Å; S89-D93 PolarHBondContact OG-OD2 3.36Å
90	T	78.8	Confident	73.5	Confident	74 Å²	74	75.6 Å²	75.6	45%	0.454	42%	0.418	S	S	.	.	S	Bend	trans	-130.4	167.4	179.8	70.1	0	0	0	0	110.8	D92 D93	T90-D92 VanDerWaalsContact C-N 3.32Å; T90-D93 PolarHBondContact N-OD2 2.75Å; T90-D93 WeakPolarHBondContact O-CB 3.48Å; T90-D93 VanDerWaalsContact OG1-CG 3.29Å; T90-D93 PolarHBondContact OG1-OD1 2.97Å; T90-D93 PolarHBondContact OG1-OD2 3.29Å
91	F	74.6	Confident	73.2	Confident	171 Å²	171	75.9 Å²	75.9	75%	0.75	42%	0.421	S	S	*	.	S	Bend	trans	-67.6	-33.5	176.3	-177	-97.4	0	0	0	112.2	D93 L94	F91-D93 PolarHBondContact O-N 3.48Å; F91-L94 HydrophobicContact CE2-CD2 4.26Å; F91-L94 WeakPolarHBondContact O-CB 3.48Å; F91-L94 PolarHBondContact O-N 3.45Å
92	D	76.4	Confident	73	Confident	125 Å²	125	75.7 Å²	75.7	67%	0.668	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-65	-28.3	-179	-63.6	-28.8	0	0	0	112.2	T90 L94 S95	T90-D92 VanDerWaalsContact C-N 3.32Å; D92-L94 PolarHBondContact O-N 2.69Å; D92-L94 VanDerWaalsContact O-N 3.1Å; D92-S95 PolarHBondContact O-N 3.36Å; D92-S95 PolarHBondContact O-OG 3.21Å
93	D	76.6	Confident	73.1	Confident	53 Å²	53	76.7 Å²	76.7	28%	0.283	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-56.8	-26.2	174.3	-62.1	-19.3	0	0	0	111.8	L88 S89 T90 F91 S95 C96 V97	L88-D93 HydrophobicContact CD2-CB 3.46Å; L88-D93 VanDerWaalsContact CD2-CB 3.46Å; S89-D93 WeakPolarHBondContact CA-OD2 3.42Å; S89-D93 PolarHBondContact N-OD2 3.21Å; S89-D93 PolarHBondContact OG-OD2 3.36Å; T90-D93 PolarHBondContact N-OD2 2.75Å; T90-D93 WeakPolarHBondContact O-CB 3.48Å; T90-D93 VanDerWaalsContact OG1-CG 3.29Å; T90-D93 PolarHBondContact OG1-OD1 2.97Å; T90-D93 PolarHBondContact OG1-OD2 3.29Å; F91-D93 PolarHBondContact O-N 3.48Å; D93-S95 PolarHBondContact O-N 3.08Å; D93-C96 PolarHBondContact O-N 2.83Å; D93-V97 VanDerWaalsContact O-CG2 3.28Å; D93-V97 WeakPolarHBondContact O-CG2 3.08Å; D93-V97 PolarHBondContact O-N 3.17Å
94	L	69.3	Low	73.3	Confident	59 Å²	59	70.8 Å²	70.8	31%	0.309	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-58.9	-31.8	-179.6	-170.5	62.7	0	0	0	112.7	L88 F91 D92 C96 V97 F102	L88-L94 HydrophobicContact CD1-CD1 4.5Å; F91-L94 HydrophobicContact CE2-CD2 4.26Å; F91-L94 WeakPolarHBondContact O-CB 3.48Å; F91-L94 PolarHBondContact O-N 3.45Å; D92-L94 PolarHBondContact O-N 2.69Å; D92-L94 VanDerWaalsContact O-N 3.1Å; L94-C96 VanDerWaalsContact C-N 3.26Å; L94-C96 PolarHBondContact O-N 3.31Å; L94-V97 HydrophobicContact CD1-CG2 4.44Å; L94-F102 HydrophobicContact CD1-CD2 3.84Å; L94-F102 HydrophobicContact CD1-CE1 4.42Å; L94-F102 HydrophobicContact CD1-CE2 3.38Å; L94-F102 HydrophobicContact CD1-CZ 3.71Å
95	S	69.3	Low	73.8	Confident	63 Å²	63	69.1 Å²	69.1	44%	0.441	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-72.1	-18.9	179.6	65.9	0	0	0	0	113.8	D92 D93 T369	D92-S95 PolarHBondContact O-N 3.36Å; D92-S95 PolarHBondContact O-OG 3.21Å; D93-S95 PolarHBondContact O-N 3.08Å; S95-T369 WeakPolarHBondContact O-CB 3.41Å; S95-T369 PolarHBondContact O-OG1 3.3Å
96	C	73.2	Confident	74.2	Confident	86 Å²	86	67.3 Å²	67.3	58%	0.581	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-115.9	10.3	-174.7	-65.6	0	0	0	0	113.1	D93 L94 E98	D93-C96 PolarHBondContact O-N 2.83Å; L94-C96 VanDerWaalsContact C-N 3.26Å; L94-C96 PolarHBondContact O-N 3.31Å; C96-E98 PolarHBondContact O-N 3.41Å
97	V	73.8	Confident	74.9	Confident	22 Å²	22	62.4 Å²	62.4	13%	0.133	34%	0.341	C	S	.	.			trans	-69.5	115	-178	-178.5	0	0	0	0	111	L88 D93 L94 T99 F102	L88-V97 HydrophobicContact CD2-CG2 3.47Å; L88-V97 VanDerWaalsContact CD2-CG2 3.47Å; L88-V97 HydrophobicContact CG-CG2 4.39Å; D93-V97 VanDerWaalsContact O-CG2 3.28Å; D93-V97 WeakPolarHBondContact O-CG2 3.08Å; D93-V97 PolarHBondContact O-N 3.17Å; L94-V97 HydrophobicContact CD1-CG2 4.44Å; V97-T99 WeakPolarHBondContact CG1-O 3.47Å; V97-T99 WeakPolarHBondContact CG1-OG1 3.44Å; V97-F102 HydrophobicContact CG1-CB 3.95Å; V97-F102 HydrophobicContact CG1-CD1 3.95Å; V97-F102 HydrophobicContact CG1-CG 4.23Å
98	E	72.9	Confident	75.4	Confident	177 Å²	177	59.4 Å²	59.4	83%	0.827	33%	0.328	S	S	*	.			trans	-93.1	-20.6	172.3	-62.9	-176.3	163.3	0	0	113	C96	C96-E98 PolarHBondContact O-N 3.41Å
99	T	77.2	Confident	76.2	Confident	42 Å²	42	57.4 Å²	57.4	26%	0.258	32%	0.317	S	S	.	.	S	Bend	trans	-71.5	149.2	-179.7	58.8	0	0	0	0	112.1	D44 K87 V97	D44-T99 WeakPolarHBondContact OD1-CA 3.4Å; D44-T99 WeakPolarHBondContact OD1-CB 3.31Å; K87-T99 HydrophobicContact CD-CG2 3.87Å; K87-T99 WeakPolarHBondContact CD-OG1 3.5Å; K87-T99 HydrophobicContact CG-CG2 4.13Å; V97-T99 WeakPolarHBondContact CG1-O 3.47Å; V97-T99 WeakPolarHBondContact CG1-OG1 3.44Å
100	Y	73.9	Confident	76.9	Confident	34 Å²	34	52.3 Å²	52.3	13%	0.133	28%	0.282	C	S	.	.	S	Bend	trans	-68.5	-39.2	-178.8	-75.3	-89.2	0	0	0	113.5	E40 I43 D44 Y189 G316 R317	E40-Y100 HydrophobicContact CB-CG 4.22Å; E40-Y100 HydrophobicContact CG-CD1 3.84Å; E40-Y100 HydrophobicContact CG-CG 3.85Å; E40-Y100 WeakPolarHBondContact OE1-CD1 3.35Å; I43-Y100 HydrophobicContact CB-CD2 4.41Å; I43-Y100 HydrophobicContact CB-CE2 4.48Å; I43-Y100 HydrophobicContact CG2-CD2 3.93Å; I43-Y100 HydrophobicContact CG2-CE2 3.65Å; D44-Y100 PolarHBondContact OD1-N 3.01Å; D44-Y100 PolarHBondContact OD2-N 3.34Å; Y100-Y189 HydrophobicContact CD1-CE1 4.15Å; Y100-Y189 AromaticContact CE1-CE1 3.71Å; Y100-Y189 HydrophobicContact CE1-CE1 3.71Å; Y100-G316 PolarHBondContact OH-O 2.69Å; Y100-G316 VanDerWaalsContact OH-O 3.09Å; Y100-R317 HydrophobicContact CD1-CG 4.34Å; Y100-R317 HydrophobicContact CE1-CB 4.15Å; Y100-R317 HydrophobicContact CE1-CG 4.19Å; Y100-R317 PolarHBondContact O-NH1 3.05Å
101	G	69	Low	77.5	Confident	9 Å²	9	48.9 Å²	48.9	9%	0.093	26%	0.261	C	S	.	.			trans	-120	119.3	-179.9	0	0	0	0	0	113.2	D44 K87	D44-G101 PolarHBondContact OD2-N 2.81Å; K87-G101 WeakPolarHBondContact CD-O 3.38Å; K87-G101 WeakPolarHBondContact CE-O 3.19Å; K87-G101 PolarHBondContact NZ-O 2.75Å
102	F	69	Low	78.2	Confident	19 Å²	19	41.9 Å²	41.9	8%	0.083	23%	0.23	C	C	.	.			trans	-122.2	-17	-178.7	58.8	-94.4	0	0	0	115	T85 L88 L94 V97 G104	T85-F102 VanDerWaalsContact CB-O 3.3Å; T85-F102 WeakPolarHBondContact CB-O 3.46Å; T85-F102 WeakPolarHBondContact CG2-O 3.31Å; T85-F102 PolarHBondContact OG1-O 3.37Å; T85-F102 VanDerWaalsContact OG1-O 3.04Å; L88-F102 HydrophobicContact CD1-CB 3.81Å; L88-F102 HydrophobicContact CD1-CD2 3.56Å; L88-F102 HydrophobicContact CD1-CG 4.06Å; L88-F102 HydrophobicContact CG-CB 4.17Å; L94-F102 HydrophobicContact CD1-CD2 3.84Å; L94-F102 HydrophobicContact CD1-CE1 4.42Å; L94-F102 HydrophobicContact CD1-CE2 3.38Å; L94-F102 HydrophobicContact CD1-CZ 3.71Å; V97-F102 HydrophobicContact CG1-CB 3.95Å; V97-F102 HydrophobicContact CG1-CD1 3.95Å; V97-F102 HydrophobicContact CG1-CG 4.23Å; F102-G104 PolarHBondContact O-N 2.97Å
103	R	67.5	Low	79	Confident	74 Å²	74	36 Å²	36	28%	0.279	20%	0.199	S	C	.	.	S	Bend	trans	-74.5	-20.4	-170.2	-62.1	-171.4	-172.7	168	6.1	115.3	E105 N375	R103-E105 VanDerWaalsContact C-N 3.34Å; R103-E105 HydrophobicContact CB-CG 4.25Å; R103-E105 PolarHBondContact O-N 3.23Å; R103-N375 PolarHBondContact NH2-OD1 3.3Å
104	G	73.8	Confident	79.8	Confident	24 Å²	24	33.5 Å²	33.5	25%	0.247	19%	0.186	C	C	.	.	S	Bend	trans	66.3	30.6	-175.9	0	0	0	0	0	114.3	Y83 C84 F102	Y83-G104 PolarHBondContact N-O 2.81Å; C84-G104 VanDerWaalsContact O-CA 3.26Å; C84-G104 WeakPolarHBondContact O-CA 3.41Å; F102-G104 PolarHBondContact O-N 2.97Å
105	E	80	Confident	81	Confident	28 Å²	28	35.9 Å²	35.9	13%	0.131	19%	0.194	C	C	.	.			trans	-114.8	-14.6	-177.6	-65.5	-176.2	141.2	0	0	113.7	Y83 R103 S109	Y83-E105 HydrophobicContact CD1-CG 4.31Å; Y83-E105 HydrophobicContact CE1-CG 4.08Å; Y83-E105 WeakPolarHBondContact CE1-OE1 3.48Å; Y83-E105 PolarHBondContact OH-OE1 3.23Å; R103-E105 VanDerWaalsContact C-N 3.34Å; R103-E105 HydrophobicContact CB-CG 4.25Å; R103-E105 PolarHBondContact O-N 3.23Å; E105-S109 VanDerWaalsContact O-CB 3.24Å; E105-S109 WeakPolarHBondContact O-CB 3.48Å; E105-S109 PolarHBondContact O-N 2.94Å; E105-S109 PolarHBondContact O-OG 2.87Å
106	A	83.3	Confident	82.3	Confident	12 Å²	12	33 Å²	33	10%	0.099	17%	0.173	C	C	.	.	H	α-helix	trans	-64.7	-58	-168.7	0	0	0	0	0	113	E37 S109 L110	E37-A106 HydrophobicContact CB-CB 3.94Å; E37-A106 HydrophobicContact CG-CB 4.3Å; A106-S109 PolarHBondContact O-N 2.77Å; A106-L110 WeakPolarHBondContact O-CG 3.46Å; A106-L110 PolarHBondContact O-N 3.36Å
107	L	88.5	Confident	83.3	Confident	22 Å²	22	29.8 Å²	29.8	12%	0.115	15%	0.151	C	C	.	.	H	α-helix	trans	-66.9	-39	-178.3	-69.7	177.4	0	0	0	112	L38 L79 T80 S109 L110 C111 I118 V153	L38-L107 HydrophobicContact CD2-CD2 3.96Å; L79-L107 HydrophobicContact CD1-CD1 3.73Å; L79-L107 HydrophobicContact CD2-CD1 4.48Å; L79-L107 HydrophobicContact CG-CD1 3.77Å; T80-L107 HydrophobicContact CG2-CB 4.12Å; L107-S109 VanDerWaalsContact C-N 3.32Å; L107-S109 PolarHBondContact O-N 3.33Å; L107-L110 HydrophobicContact CD2-CD1 4.44Å; L107-L110 PolarHBondContact O-N 3.41Å; L107-C111 PolarHBondContact O-N 2.8Å; L107-C111 PolarHBondContact O-SG 2.94Å; L107-I118 HydrophobicContact CD1-CD1 4.21Å; L107-I118 HydrophobicContact CD2-CD1 4.41Å; L107-V153 HydrophobicContact CD2-CG1 4.25Å
108	S	87.5	Confident	84.4	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.014	15%	0.145	C	C	.	.	H	α-helix	trans	-56.7	-46.5	173.1	-161	0	0	0	0	111.3	T80 K82 L110 C111 H112	T80-S108 WeakPolarHBondContact O-CA 3.32Å; T80-S108 WeakPolarHBondContact O-CB 3.41Å; T80-S108 PolarHBondContact O-OG 3.23Å; K82-S108 WeakPolarHBondContact CG-OG 3.3Å; S108-L110 PolarHBondContact O-N 2.93Å; S108-C111 PolarHBondContact O-N 3.34Å; S108-H112 PolarHBondContact O-N 3.23Å
109	S	88.9	Confident	85.5	Confident	3 Å²	3	22.3 Å²	22.3	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-65.9	-37.2	177.8	-59.8	0	0	0	0	113	S24 E105 A106 L107 H112 L113	S24-S109 WeakPolarHBondContact OG-CA 3.44Å; S24-S109 PolarHBondContact OG-OG 3.06Å; E105-S109 VanDerWaalsContact O-CB 3.24Å; E105-S109 WeakPolarHBondContact O-CB 3.48Å; E105-S109 PolarHBondContact O-N 2.94Å; E105-S109 PolarHBondContact O-OG 2.87Å; A106-S109 PolarHBondContact O-N 2.77Å; L107-S109 VanDerWaalsContact C-N 3.32Å; L107-S109 PolarHBondContact O-N 3.33Å; S109-H112 PolarHBondContact O-N 2.92Å; S109-L113 WeakPolarHBondContact O-CB 3.49Å; S109-L113 WeakPolarHBondContact O-CD1 3.47Å; S109-L113 VanDerWaalsContact O-CG 3.23Å; S109-L113 WeakPolarHBondContact O-CG 3.43Å; S109-L113 PolarHBondContact O-N 2.86Å; S109-L113 VanDerWaalsContact O-N 3.13Å
110	L	92	Very high	86.4	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.1	-38.8	175.3	-72.5	169.9	0	0	0	112.1	V28 A34 L38 A106 L107 S108 H112 L113 A114 V116 V155 L158	V28-L110 HydrophobicContact CG1-CD2 4.24Å; V28-L110 HydrophobicContact CG2-CD2 4.22Å; V28-L110 HydrophobicContact CG2-CG 4.44Å; A34-L110 HydrophobicContact CB-CD2 3.89Å; L38-L110 HydrophobicContact CD1-CD1 4.45Å; L38-L110 HydrophobicContact CD2-CD1 3.61Å; L38-L110 HydrophobicContact CG-CD1 3.94Å; A106-L110 WeakPolarHBondContact O-CG 3.46Å; A106-L110 PolarHBondContact O-N 3.36Å; L107-L110 HydrophobicContact CD2-CD1 4.44Å; L107-L110 PolarHBondContact O-N 3.41Å; S108-L110 PolarHBondContact O-N 2.93Å; L110-H112 VanDerWaalsContact C-N 3.27Å; L110-H112 PolarHBondContact O-N 3.07Å; L110-L113 PolarHBondContact O-N 3.48Å; L110-A114 WeakPolarHBondContact O-CA 3.36Å; L110-A114 WeakPolarHBondContact O-CB 3.31Å; L110-A114 PolarHBondContact O-N 2.9Å; L110-V116 HydrophobicContact CB-CG2 3.97Å; L110-V155 HydrophobicContact CD1-CG2 4.4Å; L110-V155 HydrophobicContact CD2-CG1 4.42Å; L110-L158 HydrophobicContact CD2-CD1 4.4Å
111	C	91.4	Very high	87.4	Confident	2 Å²	2	19.2 Å²	19.2	1%	0.014	10%	0.099	C	C	.	.	H	α-helix	trans	-60.8	-38	175.4	-66.1	0	0	0	0	111.7	T80 L107 S108 A114 V116 D134 S135	T80-C111 WeakPolarHBondContact CG2-SG 3.46Å; L107-C111 PolarHBondContact O-N 2.8Å; L107-C111 PolarHBondContact O-SG 2.94Å; S108-C111 PolarHBondContact O-N 3.34Å; C111-A114 CarbonylContact C-O 3.6Å; C111-V116 HydrophobicContact CB-CG2 4.48Å; C111-D134 WeakPolarHBondContact CB-O 3.34Å; C111-S135 WeakPolarHBondContact O-CA 3.44Å
112	H	89.2	Confident	88.5	Confident	23 Å²	23	19.4 Å²	19.4	11%	0.106	10%	0.101	C	C	.	.	H	α-helix	trans	-68.7	-38.9	175.7	-167.6	69.4	0	0	0	112.8	K21 S108 S109 L110 S135	K21-H112 WeakPolarHBondContact CA-NE2 3.03Å; K21-H112 WeakPolarHBondContact CB-NE2 3.25Å; K21-H112 VanDerWaalsContact CG-NE2 3.3Å; K21-H112 WeakPolarHBondContact CG-NE2 3.39Å; S108-H112 PolarHBondContact O-N 3.23Å; S109-H112 PolarHBondContact O-N 2.92Å; L110-H112 VanDerWaalsContact C-N 3.27Å; L110-H112 PolarHBondContact O-N 3.07Å; H112-S135 PolarHBondContact ND1-O 3.46Å
113	L	92	Very high	89.3	Confident	2 Å²	2	24 Å²	24	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-90	-14.8	-172.4	-64.1	169.5	0	0	0	113.9	S24 V28 S109 L110 L158 F159 L162	S24-L113 WeakPolarHBondContact O-CD1 3.45Å; V28-L113 HydrophobicContact CB-CD1 3.63Å; V28-L113 HydrophobicContact CG1-CD1 4.2Å; V28-L113 HydrophobicContact CG2-CD1 4.4Å; S109-L113 WeakPolarHBondContact O-CB 3.49Å; S109-L113 WeakPolarHBondContact O-CD1 3.47Å; S109-L113 VanDerWaalsContact O-CG 3.23Å; S109-L113 WeakPolarHBondContact O-CG 3.43Å; S109-L113 PolarHBondContact O-N 2.86Å; S109-L113 VanDerWaalsContact O-N 3.13Å; L110-L113 PolarHBondContact O-N 3.48Å; L113-L158 HydrophobicContact CB-CD1 4.4Å; L113-F159 HydrophobicContact CB-CD1 4.28Å; L113-F159 HydrophobicContact CD1-CE1 4.12Å; L113-F159 HydrophobicContact CD2-CD1 4.18Å; L113-F159 VanDerWaalsContact O-CA 3.3Å; L113-F159 WeakPolarHBondContact O-CA 3.4Å; L113-F159 PolarHBondContact O-N 3.31Å; L113-L162 HydrophobicContact CD2-CD1 3.62Å
114	A	94.2	Very high	90.2	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.008	15%	0.152	C	C	.	.	S	Bend	trans	-154.5	165.4	-171.2	0	0	0	0	0	111.2	L110 C111 V116 V155 L158	L110-A114 WeakPolarHBondContact O-CA 3.36Å; L110-A114 WeakPolarHBondContact O-CB 3.31Å; L110-A114 PolarHBondContact O-N 2.9Å; C111-A114 CarbonylContact C-O 3.6Å; A114-V116 PolarHBondContact O-N 3.26Å; A114-V155 HydrophobicContact CB-CG1 3.33Å; A114-L158 HydrophobicContact CB-CD1 4.19Å
115	K	94.9	Very high	90.9	Very high	108 Å²	108	28.9 Å²	28.9	47%	0.47	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	112.8	169.5	-67.1	176.6	-178.3	165.1	0	108.8	N156	K115-N156 HydrophobicContact CB-CB 4.21Å; K115-N156 PolarHBondContact N-O 2.97Å; K115-N156 PolarHBondContact O-N 3.28Å
116	V	95.3	Very high	91.2	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.018	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.6	-175.6	-180	0	0	0	0	110.5	L110 C111 A114 I118 F133 V153 C154 V155	L110-V116 HydrophobicContact CB-CG2 3.97Å; C111-V116 HydrophobicContact CB-CG2 4.48Å; A114-V116 PolarHBondContact O-N 3.26Å; V116-I118 HydrophobicContact CG1-CD1 4.33Å; V116-I118 HydrophobicContact CG1-CG1 4.07Å; V116-F133 HydrophobicContact CG1-CD2 4.45Å; V116-F133 PolarHBondContact O-N 3.27Å; V116-V153 HydrophobicContact CG1-CG1 4.21Å; V116-C154 WeakPolarHBondContact CA-O 3.4Å; V116-V155 HydrophobicContact CG2-CG2 4.33Å
117	T	95.7	Very high	91.7	Very high	19 Å²	19	42.1 Å²	42.1	12%	0.117	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	132.6	174.2	-57	0	0	0	0	108.5	H119 K130 L131 E132 C154	T117-H119 WeakPolarHBondContact CG2-NE2 3.08Å; T117-K130 HydrophobicContact CG2-CD 4.31Å; T117-K130 HydrophobicContact CG2-CG 4.03Å; T117-L131 CarbonylContact C-O 3.56Å; T117-L131 WeakPolarHBondContact CA-O 3.49Å; T117-E132 HydrophobicContact CG2-CG 4.03Å; T117-C154 PolarHBondContact N-O 3.1Å; T117-C154 PolarHBondContact O-N 3.38Å
118	I	96.3	Very high	91.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	130.5	-176.8	-58.9	-179.4	0	0	0	109.3	I71 L79 L107 V116 K130 L131 F133 T151 T152 V153	I71-I118 HydrophobicContact CD1-CG2 4.14Å; L79-I118 HydrophobicContact CD2-CD1 3.49Å; L79-I118 VanDerWaalsContact CD2-CD1 3.49Å; L79-I118 HydrophobicContact CD2-CG2 4.34Å; L79-I118 HydrophobicContact CG-CD1 4.3Å; L107-I118 HydrophobicContact CD1-CD1 4.21Å; L107-I118 HydrophobicContact CD2-CD1 4.41Å; V116-I118 HydrophobicContact CG1-CD1 4.33Å; V116-I118 HydrophobicContact CG1-CG1 4.07Å; I118-K130 CarbonylContact O-C 3.52Å; I118-K130 WeakPolarHBondContact O-CA 3.24Å; I118-L131 PolarHBondContact N-O 3.24Å; I118-L131 PolarHBondContact O-N 3.41Å; I118-F133 HydrophobicContact CB-CE2 3.97Å; I118-F133 HydrophobicContact CD1-CD2 4.41Å; I118-F133 HydrophobicContact CD1-CE2 3.64Å; I118-F133 HydrophobicContact CD1-CZ 4.16Å; I118-F133 HydrophobicContact CG1-CD2 4.41Å; I118-F133 HydrophobicContact CG1-CE2 3.75Å; I118-T151 HydrophobicContact CG2-CG2 3.7Å; I118-T152 CarbonylContact C-O 3.59Å; I118-T152 WeakPolarHBondContact CA-O 3.21Å; I118-V153 HydrophobicContact CD1-CG2 4.49Å; I118-V153 HydrophobicContact CG1-CG1 4.21Å; I118-V153 HydrophobicContact CG1-CG2 4.28Å
119	H	95.8	Very high	92.3	Very high	41 Å²	41	42 Å²	42	19%	0.19	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	118	175.8	-59	-147	0	0	0	106.6	T117 T129 L145 R147 T151 T152	T117-H119 WeakPolarHBondContact CG2-NE2 3.08Å; H119-T129 CarbonylContact C-O 3.49Å; H119-T129 WeakPolarHBondContact CA-O 3.24Å; H119-L145 HydrophobicContact CB-CD2 3.93Å; H119-L145 WeakPolarHBondContact ND1-CD2 3.23Å; H119-R147 PolarHBondContact O-NE 3.21Å; H119-T151 CarbonylContact O-C 3.57Å; H119-T151 WeakPolarHBondContact O-CA 3.41Å; H119-T152 PolarHBondContact N-O 3.13Å; H119-T152 PolarHBondContact O-N 3.48Å
120	T	95.5	Very high	92.6	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	149	-174.1	-164.2	0	0	0	0	112.3	I71 F76 G128 T129 G150 T151	I71-T120 HydrophobicContact CB-CG2 3.88Å; I71-T120 HydrophobicContact CD1-CG2 4.37Å; I71-T120 PolarHBondContact N-OG1 3.45Å; F76-T120 HydrophobicContact CE1-CG2 3.68Å; F76-T120 HydrophobicContact CZ-CG2 4.06Å; T120-G128 CarbonylContact O-C 3.57Å; T120-G128 WeakPolarHBondContact O-CA 3.36Å; T120-T129 PolarHBondContact N-O 3.15Å; T120-T129 PolarHBondContact O-N 2.91Å; T120-G150 WeakPolarHBondContact CA-O 3.48Å; T120-T151 PolarHBondContact OG1-OG1 3.03Å
121	C	94.9	Very high	92.8	Very high	9 Å²	9	43.3 Å²	43.3	6%	0.061	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	114.3	171.2	-173.7	0	0	0	0	108.5	R147 S148 Q149 G150	C121-R147 HydrophobicContact CB-CB 4.39Å; C121-S148 WeakPolarHBondContact CB-O 3.49Å; C121-Q149 WeakPolarHBondContact O-CA 3.24Å; C121-G150 PolarHBondContact N-O 3.13Å; C121-G150 PolarHBondContact O-N 2.96Å
122	A	92.7	Very high	93	Very high	14 Å²	14	45.9 Å²	45.9	12%	0.116	23%	0.234	C	C	.	.			trans	-69.2	155.8	175.5	0	0	0	0	0	111.6	V69 R72 N124 A125	V69-A122 WeakPolarHBondContact O-CA 3.43Å; R72-A122 HydrophobicContact CG-CB 4.33Å; A122-N124 PolarHBondContact O-N 3.01Å; A122-N124 VanDerWaalsContact O-N 3.15Å; A122-A125 HydrophobicContact CB-CB 4.08Å; A122-A125 WeakPolarHBondContact O-CB 3.46Å; A122-A125 PolarHBondContact O-N 3.44Å
123	L	87	Confident	93.1	Very high	116 Å²	116	45.6 Å²	45.6	61%	0.607	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-38.4	178.9	179.3	65.6	0	0	0	113.9	V69	V69-L123 PolarHBondContact O-N 3.45Å
124	N	86.1	Confident	93	Very high	155 Å²	155	48 Å²	48	83%	0.829	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	2.9	-178.3	-64.6	-19	0	0	0	113.5	A122	A122-N124 PolarHBondContact O-N 3.01Å; A122-N124 VanDerWaalsContact O-N 3.15Å
125	A	88.5	Confident	92.7	Very high	45 Å²	45	50.7 Å²	50.7	37%	0.372	26%	0.264	S	S	.	.			trans	-83.7	138.3	180	0	0	0	0	0	110.7	A122	A122-A125 HydrophobicContact CB-CB 4.08Å; A122-A125 WeakPolarHBondContact O-CB 3.46Å; A122-A125 PolarHBondContact O-N 3.44Å
126	K	86.4	Confident	92.2	Very high	215 Å²	215	47.4 Å²	47.4	94%	0.935	25%	0.254	S	S	*	.	S	Bend	trans	-76.3	-29.3	178.7	-67.5	-179.2	179.1	176.7	0	113
127	I	92	Very high	91.6	Very high	102 Å²	102	47.7 Å²	47.7	52%	0.523	26%	0.258	S	S	.	.	S	Bend	trans	-141.9	146.2	-176.3	-53.7	174.1	0	0	0	106.8
128	G	93.4	Very high	91.2	Very high	1 Å²	1	53 Å²	53	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	170.9	172.9	0	0	0	0	0	112.6	T120 S144 L145	T120-G128 CarbonylContact O-C 3.57Å; T120-G128 WeakPolarHBondContact O-CA 3.36Å; G128-S144 CarbonylContact O-C 3.51Å; G128-S144 WeakPolarHBondContact O-CA 3.47Å; G128-L145 CarbonylContact C-O 3.34Å; G128-L145 VanDerWaalsContact CA-O 3.23Å; G128-L145 WeakPolarHBondContact CA-O 3.44Å; G128-L145 PolarHBondContact N-O 3.39Å; G128-L145 PolarHBondContact O-N 3.13Å; G128-L145 VanDerWaalsContact O-O 3.11Å
129	T	95.7	Very high	91	Very high	22 Å²	22	55.8 Å²	55.8	14%	0.135	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.3	178.1	-55.8	0	0	0	0	109.5	F76 H119 T120 L131 S142 R143	F76-T129 HydrophobicContact CE2-CG2 3.82Å; F76-T129 HydrophobicContact CZ-CG2 4.26Å; H119-T129 CarbonylContact C-O 3.49Å; H119-T129 WeakPolarHBondContact CA-O 3.24Å; T120-T129 PolarHBondContact N-O 3.15Å; T120-T129 PolarHBondContact O-N 2.91Å; T129-L131 HydrophobicContact CG2-CD2 3.78Å; T129-L131 HydrophobicContact CG2-CG 4.23Å; T129-S142 WeakPolarHBondContact CG2-OG 3.17Å; T129-R143 WeakPolarHBondContact CA-O 3.2Å
130	K	96.3	Very high	90.8	Very high	29 Å²	29	58.2 Å²	58.2	13%	0.126	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.3	167.5	-172.9	-167.5	-177.6	-162.7	0	108.7	T117 I118 E132 S142 R143 L145	T117-K130 HydrophobicContact CG2-CD 4.31Å; T117-K130 HydrophobicContact CG2-CG 4.03Å; I118-K130 CarbonylContact O-C 3.52Å; I118-K130 WeakPolarHBondContact O-CA 3.24Å; K130-E132 WeakPolarHBondContact CE-OE1 3.31Å; K130-E132 IonicContact NZ-OE1 3.95Å; K130-E132 PolarHBondContact NZ-OE1 3.31Å; K130-S142 WeakPolarHBondContact O-CA 3.39Å; K130-R143 HydrophobicContact CB-CG 4.09Å; K130-R143 VanDerWaalsContact CD-CZ 3.41Å; K130-R143 PolarHBondContact N-O 3.38Å; K130-R143 PolarHBondContact O-N 3.32Å; K130-L145 HydrophobicContact CB-CB 4.29Å; K130-L145 HydrophobicContact CB-CD2 4.37Å
131	L	95.5	Very high	90.7	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.7	178.4	-57	171.8	0	0	0	109.3	F76 T117 I118 T129 F133 I139 D141 S142	F76-L131 HydrophobicContact CB-CD1 4.1Å; F76-L131 HydrophobicContact CD1-CD1 3.71Å; F76-L131 HydrophobicContact CD2-CD1 4.11Å; F76-L131 HydrophobicContact CD2-CD2 3.86Å; F76-L131 HydrophobicContact CE1-CD1 4.1Å; F76-L131 HydrophobicContact CE2-CD1 4.47Å; F76-L131 HydrophobicContact CE2-CD2 4.22Å; F76-L131 HydrophobicContact CG-CD1 3.71Å; F76-L131 HydrophobicContact CG-CD2 4.24Å; F76-L131 HydrophobicContact CZ-CD1 4.47Å; T117-L131 CarbonylContact C-O 3.56Å; T117-L131 WeakPolarHBondContact CA-O 3.49Å; I118-L131 PolarHBondContact N-O 3.24Å; I118-L131 PolarHBondContact O-N 3.41Å; T129-L131 HydrophobicContact CG2-CD2 3.78Å; T129-L131 HydrophobicContact CG2-CG 4.23Å; L131-F133 HydrophobicContact CB-CE2 3.6Å; L131-F133 HydrophobicContact CB-CZ 3.71Å; L131-F133 HydrophobicContact CD1-CZ 3.99Å; L131-F133 HydrophobicContact CG-CZ 4.48Å; L131-I139 HydrophobicContact CD2-CD1 4.36Å; L131-I139 HydrophobicContact CD2-CG2 4.32Å; L131-D141 WeakPolarHBondContact CA-O 3.43Å; L131-S142 WeakPolarHBondContact CD2-OG 3.44Å
132	E	95.2	Very high	90.6	Very high	57 Å²	57	63.7 Å²	63.7	27%	0.266	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	137.9	170.4	-62.1	-177.5	-167.1	0	0	108.8	T117 K130 I139 T140 D141 R143	T117-E132 HydrophobicContact CG2-CG 4.03Å; K130-E132 WeakPolarHBondContact CE-OE1 3.31Å; K130-E132 IonicContact NZ-OE1 3.95Å; K130-E132 PolarHBondContact NZ-OE1 3.31Å; E132-I139 CarbonylContact O-C 3.46Å; E132-I139 WeakPolarHBondContact O-CA 3.43Å; E132-T140 PolarHBondContact O-N 3.37Å; E132-T140 PolarHBondContact O-OG1 3.03Å; E132-D141 HydrophobicContact CB-CB 4.12Å; E132-D141 HydrophobicContact CG-CB 4.39Å; E132-D141 PolarHBondContact N-O 3.15Å; E132-R143 IonicContact OE1-CZ 3.8Å; E132-R143 IonicContact OE1-NH1 2.9Å; E132-R143 PolarHBondContact OE1-NH1 3.37Å; E132-R143 IonicContact OE1-NH2 3.85Å
133	F	92.6	Very high	90.7	Very high	17 Å²	17	68.3 Å²	68.3	8%	0.075	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	146.5	-175.3	-60.2	-90.4	0	0	0	111.3	L79 T80 V116 I118 L131 Q138 I139	L79-F133 HydrophobicContact CD2-CZ 4.04Å; T80-F133 HydrophobicContact CG2-CD1 3.57Å; T80-F133 HydrophobicContact CG2-CD2 4.28Å; T80-F133 HydrophobicContact CG2-CE1 3.56Å; T80-F133 HydrophobicContact CG2-CE2 4.3Å; T80-F133 HydrophobicContact CG2-CG 3.93Å; T80-F133 HydrophobicContact CG2-CZ 3.95Å; T80-F133 VanDerWaalsContact OG1-CD1 3.25Å; T80-F133 WeakPolarHBondContact OG1-CD1 3.4Å; T80-F133 WeakPolarHBondContact OG1-CE1 3.43Å; V116-F133 HydrophobicContact CG1-CD2 4.45Å; V116-F133 PolarHBondContact O-N 3.27Å; I118-F133 HydrophobicContact CB-CE2 3.97Å; I118-F133 HydrophobicContact CD1-CD2 4.41Å; I118-F133 HydrophobicContact CD1-CE2 3.64Å; I118-F133 HydrophobicContact CD1-CZ 4.16Å; I118-F133 HydrophobicContact CG1-CD2 4.41Å; I118-F133 HydrophobicContact CG1-CE2 3.75Å; L131-F133 HydrophobicContact CB-CE2 3.6Å; L131-F133 HydrophobicContact CB-CZ 3.71Å; L131-F133 HydrophobicContact CD1-CZ 3.99Å; L131-F133 HydrophobicContact CG-CZ 4.48Å; F133-Q138 CarbonylContact C-O 3.59Å; F133-Q138 VanDerWaalsContact CA-O 3.29Å; F133-Q138 WeakPolarHBondContact CA-O 3.41Å; F133-I139 HydrophobicContact CD1-CG1 3.97Å; F133-I139 HydrophobicContact CE1-CD1 4.43Å; F133-I139 HydrophobicContact CE1-CG1 3.53Å; F133-I139 HydrophobicContact CZ-CG1 4.27Å
134	D	90	Very high	91	Very high	52 Å²	52	67.4 Å²	67.4	28%	0.278	37%	0.365	S	S	.	.			trans	-82.3	179	168	73.6	9.9	0	0	0	112.5	C111 S136 G137 Q138 T140	C111-D134 WeakPolarHBondContact CB-O 3.34Å; D134-S136 VanDerWaalsContact CG-OG 3.27Å; D134-S136 PolarHBondContact O-N 2.76Å; D134-S136 VanDerWaalsContact OD1-CA 3.28Å; D134-S136 WeakPolarHBondContact OD1-CA 3.24Å; D134-S136 WeakPolarHBondContact OD1-CB 3.49Å; D134-S136 PolarHBondContact OD1-N 3.26Å; D134-S136 PolarHBondContact OD1-OG 3.33Å; D134-S136 PolarHBondContact OD2-OG 3.47Å; D134-S136 VanDerWaalsContact OD2-OG 3.05Å; D134-G137 PolarHBondContact O-N 3.33Å; D134-G137 VanDerWaalsContact O-N 3.12Å; D134-G137 PolarHBondContact OD1-N 3.09Å; D134-Q138 PolarHBondContact N-O 3.21Å; D134-Q138 PolarHBondContact OD1-N 3.26Å; D134-T140 HydrophobicContact CB-CG2 3.68Å
135	S	86.6	Confident	91.3	Very high	57 Å²	57	62.7 Å²	62.7	40%	0.399	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-11.1	177.9	56.8	0	0	0	0	114.9	C111 H112	C111-S135 WeakPolarHBondContact O-CA 3.44Å; H112-S135 PolarHBondContact ND1-O 3.46Å
136	S	83.8	Confident	91.4	Very high	39 Å²	39	65.3 Å²	65.3	27%	0.273	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-13.3	174.7	81.9	0	0	0	0	112.3	D134 Q138	D134-S136 VanDerWaalsContact CG-OG 3.27Å; D134-S136 PolarHBondContact O-N 2.76Å; D134-S136 VanDerWaalsContact OD1-CA 3.28Å; D134-S136 WeakPolarHBondContact OD1-CA 3.24Å; D134-S136 WeakPolarHBondContact OD1-CB 3.49Å; D134-S136 PolarHBondContact OD1-N 3.26Å; D134-S136 PolarHBondContact OD1-OG 3.33Å; D134-S136 PolarHBondContact OD2-OG 3.47Å; D134-S136 VanDerWaalsContact OD2-OG 3.05Å; S136-Q138 PolarHBondContact OG-NE2 3.37Å
137	G	84.5	Confident	91.7	Very high	9 Å²	9	57.7 Å²	57.7	9%	0.093	33%	0.327	C	S	.	.	S	Bend	trans	89.5	13.6	-174.7	0	0	0	0	0	113.4	T80 D134	T80-G137 WeakPolarHBondContact CB-O 3.4Å; T80-G137 PolarHBondContact OG1-O 2.89Å; D134-G137 PolarHBondContact O-N 3.33Å; D134-G137 VanDerWaalsContact O-N 3.12Å; D134-G137 PolarHBondContact OD1-N 3.09Å
138	Q	86.9	Confident	91.7	Very high	132 Å²	132	57.3 Å²	57.3	62%	0.617	33%	0.333	S	S	*	.			trans	-85.9	147.6	173	-70	178.6	55.1	0	0	110.9	F133 D134 S136 T140	F133-Q138 CarbonylContact C-O 3.59Å; F133-Q138 VanDerWaalsContact CA-O 3.29Å; F133-Q138 WeakPolarHBondContact CA-O 3.41Å; D134-Q138 PolarHBondContact N-O 3.21Å; D134-Q138 PolarHBondContact OD1-N 3.26Å; S136-Q138 PolarHBondContact OG-NE2 3.37Å; Q138-T140 PolarHBondContact O-N 2.98Å
139	I	90.7	Very high	91.7	Very high	58 Å²	58	60.8 Å²	60.8	30%	0.297	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	121.5	177.8	-59	166	0	0	0	108.9	F76 E77 L131 E132 F133 D141	F76-I139 HydrophobicContact CB-CD1 3.9Å; E77-I139 HydrophobicContact CG-CD1 4.44Å; L131-I139 HydrophobicContact CD2-CD1 4.36Å; L131-I139 HydrophobicContact CD2-CG2 4.32Å; E132-I139 CarbonylContact O-C 3.46Å; E132-I139 WeakPolarHBondContact O-CA 3.43Å; F133-I139 HydrophobicContact CD1-CG1 3.97Å; F133-I139 HydrophobicContact CE1-CD1 4.43Å; F133-I139 HydrophobicContact CE1-CG1 3.53Å; F133-I139 HydrophobicContact CZ-CG1 4.27Å; I139-D141 WeakPolarHBondContact CG2-O 3.26Å
140	T	92.3	Very high	91.7	Very high	91 Å²	91	59.8 Å²	59.8	56%	0.558	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	-33.2	176.8	52	0	0	0	0	112.8	E132 D134 Q138	E132-T140 PolarHBondContact O-N 3.37Å; E132-T140 PolarHBondContact O-OG1 3.03Å; D134-T140 HydrophobicContact CB-CG2 3.68Å; Q138-T140 PolarHBondContact O-N 2.98Å
141	D	93.2	Very high	91.6	Very high	58 Å²	58	58.8 Å²	58.8	31%	0.31	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	138.2	176.3	-174.9	38.8	0	0	0	110.1	L131 E132 I139 R143	L131-D141 WeakPolarHBondContact CA-O 3.43Å; E132-D141 HydrophobicContact CB-CB 4.12Å; E132-D141 HydrophobicContact CG-CB 4.39Å; E132-D141 PolarHBondContact N-O 3.15Å; I139-D141 WeakPolarHBondContact CG2-O 3.26Å; D141-R143 IonicContact OD2-CZ 3.73Å; D141-R143 IonicContact OD2-NH1 2.65Å; D141-R143 PolarHBondContact OD2-NH1 3.45Å
142	S	93.5	Very high	91.7	Very high	68 Å²	68	59 Å²	59	48%	0.476	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	119.6	176.1	-179.5	0	0	0	0	108.7	T129 K130 L131	T129-S142 WeakPolarHBondContact CG2-OG 3.17Å; K130-S142 WeakPolarHBondContact O-CA 3.39Å; L131-S142 WeakPolarHBondContact CD2-OG 3.44Å
143	R	94.8	Very high	91.8	Very high	112 Å²	112	56.9 Å²	56.9	42%	0.423	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	146.4	-178.9	65.8	-172.3	-171	-108.5	13.9	112.4	T129 K130 E132 D141	T129-R143 WeakPolarHBondContact CA-O 3.2Å; K130-R143 HydrophobicContact CB-CG 4.09Å; K130-R143 VanDerWaalsContact CD-CZ 3.41Å; K130-R143 PolarHBondContact N-O 3.38Å; K130-R143 PolarHBondContact O-N 3.32Å; E132-R143 IonicContact OE1-CZ 3.8Å; E132-R143 IonicContact OE1-NH1 2.9Å; E132-R143 PolarHBondContact OE1-NH1 3.37Å; E132-R143 IonicContact OE1-NH2 3.85Å; D141-R143 IonicContact OD2-CZ 3.73Å; D141-R143 IonicContact OD2-NH1 2.65Å; D141-R143 PolarHBondContact OD2-NH1 3.45Å
144	S	93.3	Very high	92	Very high	97 Å²	97	57 Å²	57	68%	0.678	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.2	138.9	176.2	-50.8	0	0	0	0	111.3	G128	G128-S144 CarbonylContact O-C 3.51Å; G128-S144 WeakPolarHBondContact O-CA 3.47Å
145	L	92.3	Very high	92.3	Very high	55 Å²	55	54.6 Å²	54.6	29%	0.288	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	132.6	-177.9	178.9	73.2	0	0	0	109.8	H119 G128 K130 R147	H119-L145 HydrophobicContact CB-CD2 3.93Å; H119-L145 WeakPolarHBondContact ND1-CD2 3.23Å; G128-L145 CarbonylContact C-O 3.34Å; G128-L145 VanDerWaalsContact CA-O 3.23Å; G128-L145 WeakPolarHBondContact CA-O 3.44Å; G128-L145 PolarHBondContact N-O 3.39Å; G128-L145 PolarHBondContact O-N 3.13Å; G128-L145 VanDerWaalsContact O-O 3.11Å; K130-L145 HydrophobicContact CB-CB 4.29Å; K130-L145 HydrophobicContact CB-CD2 4.37Å; L145-R147 PolarHBondContact O-N 2.93Å; L145-R147 VanDerWaalsContact O-N 3.11Å
146	A	91	Very high	92.8	Very high	100 Å²	100	54.7 Å²	54.7	83%	0.826	32%	0.318	S	S	*	.			trans	-65.1	111.6	169.5	0	0	0	0	0	110
147	R	92	Very high	93.2	Very high	55 Å²	55	56.7 Å²	56.7	21%	0.208	32%	0.323	C	S	.	.			trans	-151.1	142.9	-178.9	-165.3	-161.6	167.7	72.4	6.1	109	H119 C121 L145 G150 T151 T152	H119-R147 PolarHBondContact O-NE 3.21Å; C121-R147 HydrophobicContact CB-CB 4.39Å; L145-R147 PolarHBondContact O-N 2.93Å; L145-R147 VanDerWaalsContact O-N 3.11Å; R147-G150 PolarHBondContact NE-O 2.73Å; R147-T151 PolarHBondContact NH2-O 3.01Å; R147-T151 VanDerWaalsContact NH2-O 3.11Å; R147-T152 VanDerWaalsContact NH1-CB 3.29Å; R147-T152 PolarHBondContact NH1-OG1 2.92Å; R147-T152 VanDerWaalsContact NH2-N 3.16Å; R147-T152 PolarHBondContact NH2-OG1 3.32Å
148	S	91.6	Very high	93.7	Very high	95 Å²	95	56.3 Å²	56.3	66%	0.664	32%	0.319	S	S	*	.			trans	-71.5	169.3	164.6	57.5	0	0	0	0	111.1	C121	C121-S148 WeakPolarHBondContact CB-O 3.49Å
149	Q	94	Very high	94	Very high	74 Å²	74	50.4 Å²	50.4	35%	0.346	29%	0.291	S	S	.	.	S	Bend	trans	-51.6	140	175.2	-169.9	-166.3	-23.5	0	0	112.7	G68 C121	G68-Q149 WeakPolarHBondContact O-CG 3.45Å; G68-Q149 PolarHBondContact O-NE2 3.08Å; C121-Q149 WeakPolarHBondContact O-CA 3.24Å
150	G	95.1	Very high	94	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	120.1	-178.6	177.2	0	0	0	0	0	113.1	D66 G68 T120 C121 R147	D66-G150 CarbonylContact O-C 3.58Å; D66-G150 WeakPolarHBondContact O-CA 3.35Å; G68-G150 WeakPolarHBondContact O-CA 3.38Å; T120-G150 WeakPolarHBondContact CA-O 3.48Å; C121-G150 PolarHBondContact N-O 3.13Å; C121-G150 PolarHBondContact O-N 2.96Å; R147-G150 PolarHBondContact NE-O 2.73Å
151	T	95.7	Very high	93.8	Very high	9 Å²	9	50.8 Å²	50.8	6%	0.055	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.9	-174.9	-58.9	0	0	0	0	111.9	D66 I71 I118 H119 T120 R147 V153	D66-T151 VanDerWaalsContact CG-O 3.31Å; D66-T151 PolarHBondContact N-O 2.91Å; D66-T151 PolarHBondContact O-N 2.87Å; D66-T151 WeakPolarHBondContact OD1-CB 3.34Å; D66-T151 VanDerWaalsContact OD1-O 3.07Å; D66-T151 PolarHBondContact OD2-N 2.95Å; I71-T151 HydrophobicContact CD1-CG2 3.85Å; I118-T151 HydrophobicContact CG2-CG2 3.7Å; H119-T151 CarbonylContact O-C 3.57Å; H119-T151 WeakPolarHBondContact O-CA 3.41Å; T120-T151 PolarHBondContact OG1-OG1 3.03Å; R147-T151 PolarHBondContact NH2-O 3.01Å; R147-T151 VanDerWaalsContact NH2-O 3.11Å; T151-V153 HydrophobicContact CG2-CG2 4.03Å
152	T	96.9	Very high	93.6	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.031	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.2	167	-69.5	0	0	0	0	108	E63 V64 I65 I118 H119 R147	E63-T152 HydrophobicContact CG-CG2 3.73Å; V64-T152 CarbonylContact O-C 3.6Å; V64-T152 WeakPolarHBondContact O-CA 3.45Å; I65-T152 HydrophobicContact CG1-CG2 3.89Å; I65-T152 WeakPolarHBondContact CG2-OG1 3.49Å; I118-T152 CarbonylContact C-O 3.59Å; I118-T152 WeakPolarHBondContact CA-O 3.21Å; H119-T152 PolarHBondContact N-O 3.13Å; H119-T152 PolarHBondContact O-N 3.48Å; R147-T152 VanDerWaalsContact NH1-CB 3.29Å; R147-T152 PolarHBondContact NH1-OG1 2.92Å; R147-T152 VanDerWaalsContact NH2-N 3.16Å; R147-T152 PolarHBondContact NH2-OG1 3.32Å
153	V	96.8	Very high	93.4	Very high	12 Å²	12	51.7 Å²	51.7	7%	0.073	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.8	173.7	-173.7	0	0	0	0	108.7	L38 E63 V64 L107 V116 I118 T151 V155	L38-V153 HydrophobicContact CD1-CG1 4.4Å; L38-V153 HydrophobicContact CD2-CB 3.94Å; L38-V153 HydrophobicContact CD2-CG1 3.56Å; L38-V153 HydrophobicContact CD2-CG2 4.31Å; E63-V153 WeakPolarHBondContact CA-O 2.99Å; V64-V153 PolarHBondContact N-O 3.34Å; V64-V153 PolarHBondContact O-N 3.41Å; L107-V153 HydrophobicContact CD2-CG1 4.25Å; V116-V153 HydrophobicContact CG1-CG1 4.21Å; I118-V153 HydrophobicContact CD1-CG2 4.49Å; I118-V153 HydrophobicContact CG1-CG1 4.21Å; I118-V153 HydrophobicContact CG1-CG2 4.28Å; T151-V153 HydrophobicContact CG2-CG2 4.03Å; V153-V155 HydrophobicContact CG1-CG2 4.13Å
154	C	97	Very high	93.2	Very high	20 Å²	20	52.3 Å²	52.3	14%	0.135	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	117.9	176.1	-62.8	0	0	0	0	109.2	I62 V116 T117	I62-C154 CarbonylContact O-C 3.27Å; I62-C154 WeakPolarHBondContact O-CA 3.37Å; V116-C154 WeakPolarHBondContact CA-O 3.4Å; T117-C154 PolarHBondContact N-O 3.1Å; T117-C154 PolarHBondContact O-N 3.38Å
155	V	97	Very high	93	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	110	176.9	-178.6	0	0	0	0	108.5	L38 S61 I62 L110 A114 V116 V153 L158	L38-V155 HydrophobicContact CD1-CG2 3.77Å; S61-V155 CarbonylContact C-O 3.55Å; S61-V155 WeakPolarHBondContact CA-O 3.37Å; I62-V155 HydrophobicContact CB-CB 4.25Å; I62-V155 PolarHBondContact N-O 3.17Å; I62-V155 PolarHBondContact O-N 3.18Å; L110-V155 HydrophobicContact CD1-CG2 4.4Å; L110-V155 HydrophobicContact CD2-CG1 4.42Å; A114-V155 HydrophobicContact CB-CG1 3.33Å; V116-V155 HydrophobicContact CG2-CG2 4.33Å; V153-V155 HydrophobicContact CG1-CG2 4.13Å; V155-L158 HydrophobicContact CG1-CD1 4.45Å
156	N	96	Very high	93	Very high	59 Å²	59	50.5 Å²	50.5	32%	0.316	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	140.5	-177.2	-65.5	-43.8	0	0	0	111.2	S61 K115	S61-N156 WeakPolarHBondContact CB-OD1 3.28Å; K115-N156 HydrophobicContact CB-CB 4.21Å; K115-N156 PolarHBondContact N-O 2.97Å; K115-N156 PolarHBondContact O-N 3.28Å
157	Q	93	Very high	93	Very high	80 Å²	80	55.4 Å²	55.4	37%	0.374	28%	0.276	S	S	.	.	S	Bend	trans	55.6	55.1	175.9	-49.7	-176.1	-68.1	0	0	113.4	E60 F159 Y160	E60-Q157 PolarHBondContact O-N 2.94Å; Q157-F159 PolarHBondContact O-N 2.92Å; Q157-Y160 VanDerWaalsContact O-CB 3.31Å; Q157-Y160 WeakPolarHBondContact O-CB 3.32Å; Q157-Y160 WeakPolarHBondContact O-CD1 3.3Å; Q157-Y160 PolarHBondContact O-N 3.49Å; Q157-Y160 VanDerWaalsContact O-N 3.08Å
158	L	94.3	Very high	92.8	Very high	2 Å²	2	57 Å²	57	1%	0.01	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	132.8	177.2	-173.8	66.2	0	0	0	112.3	L31 A34 I62 L110 L113 A114 V155 Y160 R166 L169	L31-L158 HydrophobicContact CD1-CD2 3.91Å; A34-L158 HydrophobicContact CB-CD1 4.46Å; A34-L158 HydrophobicContact CB-CD2 4.1Å; I62-L158 HydrophobicContact CD1-CD2 4.35Å; L110-L158 HydrophobicContact CD2-CD1 4.4Å; L113-L158 HydrophobicContact CB-CD1 4.4Å; A114-L158 HydrophobicContact CB-CD1 4.19Å; V155-L158 HydrophobicContact CG1-CD1 4.45Å; L158-Y160 VanDerWaalsContact C-N 3.33Å; L158-Y160 PolarHBondContact O-N 3.31Å; L158-R166 WeakPolarHBondContact O-CD 3.26Å; L158-R166 PolarHBondContact O-NH1 2.92Å; L158-L169 HydrophobicContact CB-CD2 4.31Å; L158-L169 HydrophobicContact CD2-CD2 4.22Å; L158-L169 HydrophobicContact CG-CD2 4.47Å
159	F	93.4	Very high	92.8	Very high	7 Å²	7	52.7 Å²	52.7	3%	0.031	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	22.5	-175.7	-48	-46.1	0	0	0	115.6	V28 L113 Q157 D161 L162 R165 R166 L169	V28-F159 HydrophobicContact CG1-CE1 4.45Å; L113-F159 HydrophobicContact CB-CD1 4.28Å; L113-F159 HydrophobicContact CD1-CE1 4.12Å; L113-F159 HydrophobicContact CD2-CD1 4.18Å; L113-F159 VanDerWaalsContact O-CA 3.3Å; L113-F159 WeakPolarHBondContact O-CA 3.4Å; L113-F159 PolarHBondContact O-N 3.31Å; Q157-F159 PolarHBondContact O-N 2.92Å; F159-D161 VanDerWaalsContact C-N 3.26Å; F159-D161 PolarHBondContact O-N 3.45Å; F159-L162 HydrophobicContact CB-CB 4.46Å; F159-L162 PolarHBondContact O-N 2.9Å; F159-R165 HydrophobicContact CB-CB 4.17Å; F159-R165 HydrophobicContact CD2-CB 4.4Å; F159-R165 HydrophobicContact CG-CB 4.26Å; F159-R166 WeakPolarHBondContact O-CB 3.31Å; F159-L169 HydrophobicContact CD2-CB 4.37Å; F159-L169 HydrophobicContact CD2-CD2 3.83Å; F159-L169 HydrophobicContact CE2-CD2 4.16Å
160	Y	91.4	Very high	92.7	Very high	87 Å²	87	51.8 Å²	51.8	34%	0.341	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-35.2	-176.6	75.7	-79.6	0	0	0	114.3	Q157 L158 L162	Q157-Y160 VanDerWaalsContact O-CB 3.31Å; Q157-Y160 WeakPolarHBondContact O-CB 3.32Å; Q157-Y160 WeakPolarHBondContact O-CD1 3.3Å; Q157-Y160 PolarHBondContact O-N 3.49Å; Q157-Y160 VanDerWaalsContact O-N 3.08Å; L158-Y160 VanDerWaalsContact C-N 3.33Å; L158-Y160 PolarHBondContact O-N 3.31Å; Y160-L162 VanDerWaalsContact C-N 3.28Å; Y160-L162 PolarHBondContact O-N 3.01Å
161	D	87.4	Confident	92.4	Very high	71 Å²	71	54.1 Å²	54.1	38%	0.38	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	3.1	178.6	-166.7	45.9	0	0	0	113.6	K21 F159 P163	K21-D161 WeakPolarHBondContact CE-OD2 3.44Å; K21-D161 IonicContact NZ-OD2 2.81Å; K21-D161 PolarHBondContact NZ-OD2 2.81Å; F159-D161 VanDerWaalsContact C-N 3.26Å; F159-D161 PolarHBondContact O-N 3.45Å; D161-P163 WeakPolarHBondContact O-CD 3.47Å
162	L	89.2	Confident	91.8	Very high	43 Å²	43	58.7 Å²	58.7	23%	0.225	30%	0.297	C	S	.	.			trans	-122.9	82	-179.6	-61.3	177.2	0	0	0	110.2	L113 F159 Y160 V164 R165 R166	L113-L162 HydrophobicContact CD2-CD1 3.62Å; F159-L162 HydrophobicContact CB-CB 4.46Å; F159-L162 PolarHBondContact O-N 2.9Å; Y160-L162 VanDerWaalsContact C-N 3.28Å; Y160-L162 PolarHBondContact O-N 3.01Å; L162-V164 VanDerWaalsContact C-N 3.32Å; L162-V164 PolarHBondContact O-N 3.14Å; L162-V164 VanDerWaalsContact O-N 3.14Å; L162-R165 HydrophobicContact CB-CB 4.03Å; L162-R165 HydrophobicContact CB-CG 4.47Å; L162-R165 PolarHBondContact O-N 3.24Å; L162-R166 PolarHBondContact O-N 3.38Å
163	P	88.4	Confident	91.2	Very high	101 Å²	101	64.3 Å²	64.3	66%	0.656	33%	0.327	S	S	*	.	H	α-helix	trans	-53.6	-41.2	-168.1	-29.2	34.7	0	0	0	115.1	D161 R166 R167	D161-P163 WeakPolarHBondContact O-CD 3.47Å; P163-R166 PolarHBondContact O-N 3.01Å; P163-R167 VanDerWaalsContact O-CB 3.31Å; P163-R167 WeakPolarHBondContact O-CB 3.02Å; P163-R167 PolarHBondContact O-N 3.06Å
164	V	91.4	Very high	90.6	Very high	125 Å²	125	69.4 Å²	69.4	76%	0.758	35%	0.345	S	S	*	.	H	α-helix	trans	-66.4	-45.8	178.9	179.9	0	0	0	0	110.9	L162 R167 H168	L162-V164 VanDerWaalsContact C-N 3.32Å; L162-V164 PolarHBondContact O-N 3.14Å; L162-V164 VanDerWaalsContact O-N 3.14Å; V164-R167 PolarHBondContact O-N 3.16Å; V164-H168 WeakPolarHBondContact O-CB 3.45Å; V164-H168 PolarHBondContact O-N 3.27Å
165	R	90.2	Very high	90.2	Very high	63 Å²	63	69.5 Å²	69.5	24%	0.238	34%	0.344	C	S	.	.	H	α-helix	trans	-68.6	-37.1	177.7	-70.7	-177.7	66.9	178	-2.4	111.8	G25 V28 V29 F159 L162 H168 L169	G25-R165 PolarHBondContact O-NH1 3.28Å; V28-R165 PolarHBondContact O-NH2 2.94Å; V29-R165 PolarHBondContact O-NH2 2.9Å; F159-R165 HydrophobicContact CB-CB 4.17Å; F159-R165 HydrophobicContact CD2-CB 4.4Å; F159-R165 HydrophobicContact CG-CB 4.26Å; L162-R165 HydrophobicContact CB-CB 4.03Å; L162-R165 HydrophobicContact CB-CG 4.47Å; L162-R165 PolarHBondContact O-N 3.24Å; R165-H168 WeakPolarHBondContact O-CB 3.46Å; R165-H168 PolarHBondContact O-N 2.97Å; R165-L169 WeakPolarHBondContact O-CB 3.47Å; R165-L169 PolarHBondContact O-N 2.85Å
166	R	91.7	Very high	89.6	Confident	52 Å²	52	70.7 Å²	70.7	20%	0.196	35%	0.352	C	S	.	.	H	α-helix	trans	-60.5	-52.7	173.5	-174.3	64.9	-178	173.4	8.2	110.6	S59 L158 F159 L162 P163 H168 L169 T170	S59-R166 VanDerWaalsContact O-CZ 3.3Å; S59-R166 PolarHBondContact O-NH1 2.9Å; S59-R166 PolarHBondContact O-NH2 2.92Å; L158-R166 WeakPolarHBondContact O-CD 3.26Å; L158-R166 PolarHBondContact O-NH1 2.92Å; F159-R166 WeakPolarHBondContact O-CB 3.31Å; L162-R166 PolarHBondContact O-N 3.38Å; P163-R166 PolarHBondContact O-N 3.01Å; R166-H168 PolarHBondContact O-N 3.23Å; R166-L169 PolarHBondContact O-N 3.48Å; R166-L169 VanDerWaalsContact O-N 3.13Å; R166-T170 WeakPolarHBondContact O-CG2 2.99Å; R166-T170 PolarHBondContact O-N 2.97Å; R166-T170 PolarHBondContact O-OG1 3.34Å
167	R	90.3	Very high	89.1	Confident	202 Å²	202	71 Å²	71	76%	0.762	35%	0.351	S	S	*	.	H	α-helix	trans	-58.4	-38.6	177.3	-173.2	174.8	-177.3	170	1.2	111.7	P163 V164 T170 D171	P163-R167 VanDerWaalsContact O-CB 3.31Å; P163-R167 WeakPolarHBondContact O-CB 3.02Å; P163-R167 PolarHBondContact O-N 3.06Å; V164-R167 PolarHBondContact O-N 3.16Å; R167-T170 PolarHBondContact O-N 2.88Å; R167-T170 PolarHBondContact O-OG1 3.24Å; R167-D171 PolarHBondContact O-N 3.47Å; R167-D171 VanDerWaalsContact O-N 3.13Å
168	H	89.1	Confident	89	Confident	89 Å²	89	68.2 Å²	68.2	41%	0.412	34%	0.337	S	S	.	.	H	α-helix	trans	-63	-44.9	175.3	-168.5	101.6	0	0	0	112.8	V164 R165 R166 R174	V164-H168 WeakPolarHBondContact O-CB 3.45Å; V164-H168 PolarHBondContact O-N 3.27Å; R165-H168 WeakPolarHBondContact O-CB 3.46Å; R165-H168 PolarHBondContact O-N 2.97Å; R166-H168 PolarHBondContact O-N 3.23Å; H168-R174 PolarHBondContact CE1-NH1 3.11Å; H168-R174 PolarHBondContact NE2-NH1 3.29Å; H168-R174 VanDerWaalsContact NE2-NH1 3.17Å
169	L	90.3	Very high	88.9	Confident	5 Å²	5	68.3 Å²	68.3	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-67.9	-37.1	177.6	177.9	62.5	0	0	0	112	L31 L158 F159 R165 R166 L175 E178	L31-L169 HydrophobicContact CB-CD1 4.05Å; L31-L169 HydrophobicContact CD2-CD1 4.47Å; L158-L169 HydrophobicContact CB-CD2 4.31Å; L158-L169 HydrophobicContact CD2-CD2 4.22Å; L158-L169 HydrophobicContact CG-CD2 4.47Å; F159-L169 HydrophobicContact CD2-CB 4.37Å; F159-L169 HydrophobicContact CD2-CD2 3.83Å; F159-L169 HydrophobicContact CE2-CD2 4.16Å; R165-L169 WeakPolarHBondContact O-CB 3.47Å; R165-L169 PolarHBondContact O-N 2.85Å; R166-L169 PolarHBondContact O-N 3.48Å; R166-L169 VanDerWaalsContact O-N 3.13Å; L169-L175 HydrophobicContact CD1-CD1 4.48Å; L169-L175 WeakPolarHBondContact O-CD1 3.41Å; L169-E178 HydrophobicContact CD1-CB 4.4Å; L169-E178 HydrophobicContact CD1-CG 4.4Å
170	T	91.3	Very high	88.6	Confident	55 Å²	55	68.8 Å²	68.8	34%	0.337	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	3.5	-177.1	60.3	0	0	0	0	114.2	R166 R167 P172	R166-T170 WeakPolarHBondContact O-CG2 2.99Å; R166-T170 PolarHBondContact O-N 2.97Å; R166-T170 PolarHBondContact O-OG1 3.34Å; R167-T170 PolarHBondContact O-N 2.88Å; R167-T170 PolarHBondContact O-OG1 3.24Å; T170-P172 WeakPolarHBondContact O-CD 3.23Å
171	D	89.6	Confident	88.6	Confident	48 Å²	48	69.6 Å²	69.6	26%	0.257	35%	0.349	S	S	.	.			trans	-63.9	120.7	176.2	178.1	-6	0	0	0	109.9	R167 N173 R174 L175	R167-D171 PolarHBondContact O-N 3.47Å; R167-D171 VanDerWaalsContact O-N 3.13Å; D171-N173 PolarHBondContact O-N 3.07Å; D171-N173 VanDerWaalsContact O-N 3.08Å; D171-N173 PolarHBondContact OD1-N 3.41Å; D171-R174 HydrophobicContact CB-CB 4.14Å; D171-R174 HydrophobicContact CB-CG 4.25Å; D171-R174 PolarHBondContact O-N 2.52Å; D171-R174 IonicContact OD2-NE 2.68Å; D171-L175 WeakPolarHBondContact O-CB 3.33Å; D171-L175 PolarHBondContact O-N 2.74Å
172	P	83.7	Confident	88.9	Confident	105 Å²	105	66.2 Å²	66.2	68%	0.682	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-28.9	-179.5	-27.2	35.1	0	0	0	114.7	T170 P176	T170-P172 WeakPolarHBondContact O-CD 3.23Å; P172-P176 WeakPolarHBondContact O-CD 3.41Å
173	N	82.9	Confident	89.1	Confident	124 Å²	124	65 Å²	65	66%	0.663	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-21.5	179.5	-64.4	-46.7	0	0	0	113.1	D171	D171-N173 PolarHBondContact O-N 3.07Å; D171-N173 VanDerWaalsContact O-N 3.08Å; D171-N173 PolarHBondContact OD1-N 3.41Å
174	R	84.9	Confident	89.2	Confident	119 Å²	119	62.7 Å²	62.7	45%	0.449	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-33.5	-175.8	-64.8	-176.2	179.3	-119.4	-3.3	113.3	H168 D171 P176 K177 E178	H168-R174 PolarHBondContact CE1-NH1 3.11Å; H168-R174 PolarHBondContact NE2-NH1 3.29Å; H168-R174 VanDerWaalsContact NE2-NH1 3.17Å; D171-R174 HydrophobicContact CB-CB 4.14Å; D171-R174 HydrophobicContact CB-CG 4.25Å; D171-R174 PolarHBondContact O-N 2.52Å; D171-R174 IonicContact OD2-NE 2.68Å; R174-P176 VanDerWaalsContact C-CD 3.47Å; R174-P176 VanDerWaalsContact C-N 3.3Å; R174-K177 WeakPolarHBondContact O-CA 3.24Å; R174-K177 WeakPolarHBondContact O-CB 3.36Å; R174-K177 PolarHBondContact O-N 3.29Å; R174-E178 PolarHBondContact O-N 3Å
175	L	89	Confident	89.3	Confident	22 Å²	22	57 Å²	57	12%	0.115	28%	0.276	C	S	.	.	H	α-helix	trans	-52.9	-41.3	-178.8	179.8	62.3	0	0	0	112.8	H57 L169 D171 K177 E178 F179	H57-L175 HydrophobicContact CB-CD1 3.89Å; H57-L175 HydrophobicContact CB-CD2 4.16Å; H57-L175 HydrophobicContact CB-CG 3.87Å; L169-L175 HydrophobicContact CD1-CD1 4.48Å; L169-L175 WeakPolarHBondContact O-CD1 3.41Å; D171-L175 WeakPolarHBondContact O-CB 3.33Å; D171-L175 PolarHBondContact O-N 2.74Å; L175-K177 VanDerWaalsContact C-N 3.31Å; L175-K177 PolarHBondContact O-N 3.25Å; L175-E178 PolarHBondContact O-N 2.89Å; L175-F179 WeakPolarHBondContact O-CB 3.2Å; L175-F179 PolarHBondContact O-N 3.42Å
176	P	85.4	Confident	89.6	Confident	25 Å²	25	54 Å²	54	16%	0.162	26%	0.264	C	S	.	.	H	α-helix	trans	-61.7	-34.5	173	-24.3	35.5	0	0	0	113.7	P172 R174 A180	P172-P176 WeakPolarHBondContact O-CD 3.41Å; R174-P176 VanDerWaalsContact C-CD 3.47Å; R174-P176 VanDerWaalsContact C-N 3.3Å; P176-A180 WeakPolarHBondContact O-CB 3.39Å; P176-A180 PolarHBondContact O-N 3.45Å
177	K	85.1	Confident	89.7	Confident	67 Å²	67	52.3 Å²	52.3	29%	0.291	26%	0.259	S	S	.	.	H	α-helix	trans	-72.6	-41.6	176.9	-55.9	-167.7	-173	-164.1	0	111.7	R174 L175 F179 A180 K181 S730 E731 C733	R174-K177 WeakPolarHBondContact O-CA 3.24Å; R174-K177 WeakPolarHBondContact O-CB 3.36Å; R174-K177 PolarHBondContact O-N 3.29Å; L175-K177 VanDerWaalsContact C-N 3.31Å; L175-K177 PolarHBondContact O-N 3.25Å; K177-F179 VanDerWaalsContact C-N 3.31Å; K177-A180 WeakPolarHBondContact O-CB 3.27Å; K177-A180 PolarHBondContact O-N 2.88Å; K177-K181 WeakPolarHBondContact O-CG 3.45Å; K177-K181 PolarHBondContact O-N 2.79Å; K177-S730 WeakPolarHBondContact CE-O 3.45Å; K177-S730 PolarHBondContact NZ-O 2.86Å; K177-E731 PolarHBondContact NZ-O 3.34Å; K177-E731 VanDerWaalsContact NZ-O 3.14Å; K177-C733 PolarHBondContact NZ-SG 3.11Å; K177-C733 VanDerWaalsContact NZ-SG 3.41Å
178	E	90.7	Very high	89.9	Confident	20 Å²	20	43 Å²	43	9%	0.093	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-40	173.9	-73.7	-59.7	123.5	0	0	111.3	L169 R174 L175 K181 V182	L169-E178 HydrophobicContact CD1-CB 4.4Å; L169-E178 HydrophobicContact CD1-CG 4.4Å; R174-E178 PolarHBondContact O-N 3Å; L175-E178 PolarHBondContact O-N 2.89Å; E178-K181 PolarHBondContact O-N 3.11Å; E178-K181 IonicContact OE1-NZ 3.97Å; E178-K181 PolarHBondContact OE1-NZ 3.39Å; E178-V182 WeakPolarHBondContact O-CG2 3.28Å; E178-V182 PolarHBondContact O-N 2.82Å; E178-V182 VanDerWaalsContact O-N 3.15Å
179	F	92.1	Very high	90.2	Very high	4 Å²	4	39 Å²	39	2%	0.018	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-44.8	171.4	-175.5	-104.2	0	0	0	111.8	L54 H57 L175 K177 K181 V182 I183 V212 I672	L54-F179 HydrophobicContact CD1-CD2 4.24Å; L54-F179 HydrophobicContact CD1-CE2 3.77Å; H57-F179 HydrophobicContact CB-CB 4.06Å; H57-F179 HydrophobicContact CB-CD2 3.71Å; H57-F179 HydrophobicContact CB-CE2 4.45Å; H57-F179 HydrophobicContact CB-CG 4.05Å; H57-F179 AromaticContact ND1-CD1 3.74Å; H57-F179 AromaticContact ND1-CD2 3.66Å; H57-F179 AromaticContact ND1-CE2 3.98Å; H57-F179 AromaticContact ND1-CG 3.52Å; L175-F179 WeakPolarHBondContact O-CB 3.2Å; L175-F179 PolarHBondContact O-N 3.42Å; K177-F179 VanDerWaalsContact C-N 3.31Å; F179-K181 VanDerWaalsContact C-N 3.29Å; F179-K181 PolarHBondContact O-N 3.33Å; F179-V182 WeakPolarHBondContact O-CB 3.18Å; F179-V182 PolarHBondContact O-N 3Å; F179-V182 VanDerWaalsContact O-N 3.07Å; F179-I183 HydrophobicContact CD1-CG1 4.11Å; F179-I183 HydrophobicContact CE1-CD1 4.15Å; F179-I183 HydrophobicContact CE1-CG1 3.76Å; F179-I183 HydrophobicContact CE2-CD1 4.16Å; F179-I183 HydrophobicContact CZ-CD1 3.84Å; F179-I183 HydrophobicContact CZ-CG1 4Å; F179-I183 WeakPolarHBondContact O-CG1 3.5Å; F179-I183 PolarHBondContact O-N 2.82Å; F179-V212 HydrophobicContact CZ-CG1 4.23Å; F179-V212 HydrophobicContact CZ-CG2 4.2Å; F179-I672 HydrophobicContact CE1-CG2 3.97Å
180	A	86.5	Confident	90.4	Very high	18 Å²	18	38.7 Å²	38.7	15%	0.149	21%	0.206	C	C	.	.	H	α-helix	trans	-57.1	-41.2	176	0	0	0	0	0	113.1	P176 K177 V182 I183 S184 T673	P176-A180 WeakPolarHBondContact O-CB 3.39Å; P176-A180 PolarHBondContact O-N 3.45Å; K177-A180 WeakPolarHBondContact O-CB 3.27Å; K177-A180 PolarHBondContact O-N 2.88Å; A180-V182 VanDerWaalsContact C-N 3.33Å; A180-V182 PolarHBondContact O-N 3.42Å; A180-I183 PolarHBondContact O-N 2.84Å; A180-S184 WeakPolarHBondContact O-CB 3.46Å; A180-S184 PolarHBondContact O-N 2.88Å; A180-T673 WeakPolarHBondContact CA-OG1 3.25Å; A180-T673 HydrophobicContact CB-CG2 3.3Å; A180-T673 WeakPolarHBondContact CB-OG1 3.43Å
181	K	90.7	Very high	90.6	Very high	104 Å²	104	36.1 Å²	36.1	45%	0.452	19%	0.19	S	C	.	.	H	α-helix	trans	-62.8	-39	175.4	-68.6	173.7	-174.1	172.7	0	112	A32 K177 E178 F179 L185	A32-K181 HydrophobicContact CB-CB 4.24Å; K177-K181 WeakPolarHBondContact O-CG 3.45Å; K177-K181 PolarHBondContact O-N 2.79Å; E178-K181 PolarHBondContact O-N 3.11Å; E178-K181 IonicContact OE1-NZ 3.97Å; E178-K181 PolarHBondContact OE1-NZ 3.39Å; F179-K181 VanDerWaalsContact C-N 3.29Å; F179-K181 PolarHBondContact O-N 3.33Å; K181-L185 WeakPolarHBondContact O-CB 3.3Å; K181-L185 PolarHBondContact O-N 3.48Å
182	V	94.2	Very high	90.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.2	-46.8	172.5	177.6	0	0	0	0	110	L31 A32 V35 L54 E178 F179 A180 S184 L185 L186	L31-V182 HydrophobicContact CB-CG2 4.27Å; L31-V182 HydrophobicContact CD2-CG2 3.77Å; L31-V182 HydrophobicContact CG-CG2 3.65Å; A32-V182 HydrophobicContact CB-CG2 4.13Å; V35-V182 HydrophobicContact CB-CG1 4.25Å; V35-V182 HydrophobicContact CG1-CG1 4.08Å; V35-V182 HydrophobicContact CG2-CG1 4.01Å; V35-V182 HydrophobicContact CG2-CG2 4.4Å; L54-V182 HydrophobicContact CD1-CG1 4.01Å; E178-V182 WeakPolarHBondContact O-CG2 3.28Å; E178-V182 PolarHBondContact O-N 2.82Å; E178-V182 VanDerWaalsContact O-N 3.15Å; F179-V182 WeakPolarHBondContact O-CB 3.18Å; F179-V182 PolarHBondContact O-N 3Å; F179-V182 VanDerWaalsContact O-N 3.07Å; A180-V182 VanDerWaalsContact C-N 3.33Å; A180-V182 PolarHBondContact O-N 3.42Å; V182-S184 PolarHBondContact O-N 3.2Å; V182-L185 WeakPolarHBondContact O-CB 3.35Å; V182-L185 PolarHBondContact O-N 3.24Å; V182-L186 HydrophobicContact CG1-CD1 3.91Å; V182-L186 HydrophobicContact CG1-CG 4.18Å; V182-L186 WeakPolarHBondContact O-CB 3.48Å; V182-L186 VanDerWaalsContact O-CG 3.28Å; V182-L186 WeakPolarHBondContact O-CG 3.41Å; V182-L186 PolarHBondContact O-N 2.79Å
183	I	92.9	Very high	91.2	Very high	18 Å²	18	30 Å²	30	9%	0.092	15%	0.153	C	C	.	.	H	α-helix	trans	-65.2	-41.6	-179.2	-58.2	-39.7	0	0	0	111.5	F179 A180 L185 L186 T187 V212	F179-I183 HydrophobicContact CD1-CG1 4.11Å; F179-I183 HydrophobicContact CE1-CD1 4.15Å; F179-I183 HydrophobicContact CE1-CG1 3.76Å; F179-I183 HydrophobicContact CE2-CD1 4.16Å; F179-I183 HydrophobicContact CZ-CD1 3.84Å; F179-I183 HydrophobicContact CZ-CG1 4Å; F179-I183 WeakPolarHBondContact O-CG1 3.5Å; F179-I183 PolarHBondContact O-N 2.82Å; A180-I183 PolarHBondContact O-N 2.84Å; I183-L185 PolarHBondContact O-N 2.82Å; I183-L186 HydrophobicContact CD1-CD1 4.47Å; I183-L186 PolarHBondContact O-N 3.49Å; I183-T187 WeakPolarHBondContact O-CB 3.28Å; I183-T187 PolarHBondContact O-N 3.02Å; I183-T187 PolarHBondContact O-OG1 2.66Å; I183-V212 HydrophobicContact CD1-CG1 3.41Å; I183-V212 VanDerWaalsContact CD1-CG1 3.41Å; I183-V212 HydrophobicContact CG1-CG1 3.86Å; I183-V212 HydrophobicContact CG2-CG1 4.36Å
184	S	91.5	Very high	91.6	Very high	52 Å²	52	28.4 Å²	28.4	36%	0.364	14%	0.144	S	C	.	.	H	α-helix	trans	-59.5	-44.6	173.9	173.5	0	0	0	0	111.9	A180 V182 T187 A188	A180-S184 WeakPolarHBondContact O-CB 3.46Å; A180-S184 PolarHBondContact O-N 2.88Å; V182-S184 PolarHBondContact O-N 3.2Å; S184-T187 WeakPolarHBondContact O-CB 3.46Å; S184-T187 PolarHBondContact O-N 3.37Å; S184-A188 PolarHBondContact O-N 2.86Å; S184-A188 VanDerWaalsContact O-N 3.09Å
185	L	93.6	Very high	91.9	Very high	6 Å²	6	25 Å²	25	3%	0.031	15%	0.145	C	C	.	.	H	α-helix	trans	-59.1	-50.5	173.4	174.2	81.8	0	0	0	111.5	A32 K36 K181 V182 I183 T187 A188 Y189	A32-L185 HydrophobicContact CB-CD2 4.35Å; A32-L185 VanDerWaalsContact O-CD2 3.23Å; A32-L185 WeakPolarHBondContact O-CD2 3.42Å; K36-L185 HydrophobicContact CB-CD1 4.24Å; K36-L185 HydrophobicContact CB-CD2 3.68Å; K36-L185 HydrophobicContact CD-CD1 4.3Å; K36-L185 HydrophobicContact CG-CD1 4.24Å; K181-L185 WeakPolarHBondContact O-CB 3.3Å; K181-L185 PolarHBondContact O-N 3.48Å; V182-L185 WeakPolarHBondContact O-CB 3.35Å; V182-L185 PolarHBondContact O-N 3.24Å; I183-L185 PolarHBondContact O-N 2.82Å; L185-T187 VanDerWaalsContact C-N 3.29Å; L185-T187 PolarHBondContact O-N 3.33Å; L185-A188 WeakPolarHBondContact O-CB 2.99Å; L185-A188 PolarHBondContact O-N 3.38Å; L185-A188 VanDerWaalsContact O-N 3.12Å; L185-Y189 HydrophobicContact CD1-CD2 4.32Å; L185-Y189 HydrophobicContact CD1-CE2 3.83Å; L185-Y189 HydrophobicContact CG-CD2 4.34Å; L185-Y189 HydrophobicContact CG-CE2 4.26Å; L185-Y189 WeakPolarHBondContact O-CD2 3.44Å; L185-Y189 PolarHBondContact O-N 2.89Å
186	L	95.5	Very high	92.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.7	-34.7	-179.4	-67.5	-177.8	0	0	0	112.3	V35 L39 I52 V182 I183 A188 Y189 C190 C200 I213	V35-L186 HydrophobicContact CG1-CD2 3.85Å; V35-L186 HydrophobicContact CG1-CG 4.4Å; L39-L186 HydrophobicContact CD2-CD2 3.69Å; I52-L186 HydrophobicContact CD1-CD1 3.97Å; I52-L186 HydrophobicContact CD1-CD2 3.34Å; I52-L186 HydrophobicContact CD1-CG 4.31Å; V182-L186 HydrophobicContact CG1-CD1 3.91Å; V182-L186 HydrophobicContact CG1-CG 4.18Å; V182-L186 WeakPolarHBondContact O-CB 3.48Å; V182-L186 VanDerWaalsContact O-CG 3.28Å; V182-L186 WeakPolarHBondContact O-CG 3.41Å; V182-L186 PolarHBondContact O-N 2.79Å; I183-L186 HydrophobicContact CD1-CD1 4.47Å; I183-L186 PolarHBondContact O-N 3.49Å; L186-A188 VanDerWaalsContact C-N 3.31Å; L186-A188 PolarHBondContact O-N 3.28Å; L186-Y189 PolarHBondContact O-N 3.41Å; L186-C190 VanDerWaalsContact O-CB 3.28Å; L186-C190 WeakPolarHBondContact O-CB 3.36Å; L186-C190 PolarHBondContact O-N 3.2Å; L186-C190 PolarHBondContact O-SG 2.64Å; L186-C200 HydrophobicContact CD1-CB 3.63Å; L186-I213 HydrophobicContact CB-CG2 4.32Å
187	T	94.3	Very high	92.5	Very high	15 Å²	15	26.5 Å²	26.5	9%	0.092	15%	0.151	C	C	.	.	H	α-helix	trans	-58	-46.3	172.3	-56.3	0	0	0	0	110	I183 S184 L185 Y189 C190 L191 I213 V228 F229 F311	I183-T187 WeakPolarHBondContact O-CB 3.28Å; I183-T187 PolarHBondContact O-N 3.02Å; I183-T187 PolarHBondContact O-OG1 2.66Å; S184-T187 WeakPolarHBondContact O-CB 3.46Å; S184-T187 PolarHBondContact O-N 3.37Å; L185-T187 VanDerWaalsContact C-N 3.29Å; L185-T187 PolarHBondContact O-N 3.33Å; T187-Y189 PolarHBondContact O-N 3.48Å; T187-C190 PolarHBondContact O-N 3Å; T187-L191 HydrophobicContact CG2-CD1 4.23Å; T187-L191 VanDerWaalsContact O-CG 3.28Å; T187-L191 WeakPolarHBondContact O-CG 3.13Å; T187-L191 PolarHBondContact O-N 2.93Å; T187-I213 HydrophobicContact CG2-CD1 4.18Å; T187-I213 WeakPolarHBondContact OG1-CD1 3.3Å; T187-V228 HydrophobicContact CG2-CG1 3.72Å; T187-F229 HydrophobicContact CG2-CE1 3.82Å; T187-F229 HydrophobicContact CG2-CZ 3.76Å; T187-F311 HydrophobicContact CG2-CE1 4.19Å; T187-F311 HydrophobicContact CG2-CE2 4.2Å; T187-F311 HydrophobicContact CG2-CZ 3.56Å
188	A	94.7	Very high	93.1	Very high	8 Å²	8	23.4 Å²	23.4	7%	0.066	14%	0.138	C	C	.	.	H	α-helix	trans	-59	-46.6	178.6	0	0	0	0	0	112.1	S184 L185 L186 L191 V192 F311 Y313 P318	S184-A188 PolarHBondContact O-N 2.86Å; S184-A188 VanDerWaalsContact O-N 3.09Å; L185-A188 WeakPolarHBondContact O-CB 2.99Å; L185-A188 PolarHBondContact O-N 3.38Å; L185-A188 VanDerWaalsContact O-N 3.12Å; L186-A188 VanDerWaalsContact C-N 3.31Å; L186-A188 PolarHBondContact O-N 3.28Å; A188-L191 PolarHBondContact O-N 2.69Å; A188-V192 PolarHBondContact O-N 2.91Å; A188-F311 HydrophobicContact CB-CD1 3.57Å; A188-F311 HydrophobicContact CB-CE1 3.81Å; A188-Y313 WeakPolarHBondContact CA-OH 3.45Å; A188-Y313 HydrophobicContact CB-CE1 4.32Å; A188-Y313 WeakPolarHBondContact O-CE1 3.43Å; A188-Y313 PolarHBondContact O-OH 3.06Å; A188-P318 HydrophobicContact CB-CB 3.89Å; A188-P318 HydrophobicContact CB-CG 3.98Å
189	Y	95.3	Very high	93.3	Very high	3 Å²	3	23 Å²	23	1%	0.012	14%	0.138	C	C	.	.	H	α-helix	trans	-68.5	-42.3	177.1	-78.1	-86.7	0	0	0	112.8	K36 L39 E40 I43 Y100 L185 L186 T187 L191 V192 S193 P318	K36-Y189 HydrophobicContact CG-CE2 4.5Å; L39-Y189 HydrophobicContact CD2-CD1 4.05Å; L39-Y189 HydrophobicContact CD2-CD2 3.61Å; L39-Y189 HydrophobicContact CD2-CE2 4.24Å; L39-Y189 HydrophobicContact CD2-CG 3.5Å; L39-Y189 HydrophobicContact CG-CG 4.42Å; E40-Y189 HydrophobicContact CG-CE1 4.21Å; E40-Y189 WeakPolarHBondContact CG-OH 3.31Å; E40-Y189 PolarHBondContact OE1-OH 2.85Å; I43-Y189 HydrophobicContact CD1-CD1 3.71Å; I43-Y189 HydrophobicContact CD1-CE1 4.04Å; Y100-Y189 HydrophobicContact CD1-CE1 4.15Å; Y100-Y189 AromaticContact CE1-CE1 3.71Å; Y100-Y189 HydrophobicContact CE1-CE1 3.71Å; L185-Y189 HydrophobicContact CD1-CD2 4.32Å; L185-Y189 HydrophobicContact CD1-CE2 3.83Å; L185-Y189 HydrophobicContact CG-CD2 4.34Å; L185-Y189 HydrophobicContact CG-CE2 4.26Å; L185-Y189 WeakPolarHBondContact O-CD2 3.44Å; L185-Y189 PolarHBondContact O-N 2.89Å; L186-Y189 PolarHBondContact O-N 3.41Å; T187-Y189 PolarHBondContact O-N 3.48Å; Y189-L191 PolarHBondContact O-N 3.27Å; Y189-V192 PolarHBondContact O-N 3.01Å; Y189-S193 WeakPolarHBondContact O-CB 3.43Å; Y189-S193 PolarHBondContact O-N 3.33Å; Y189-S193 PolarHBondContact O-OG 3.33Å; Y189-P318 HydrophobicContact CD1-CG 4.35Å; Y189-P318 HydrophobicContact CD2-CG 4.02Å; Y189-P318 HydrophobicContact CE1-CG 4.17Å; Y189-P318 HydrophobicContact CE2-CG 3.79Å; Y189-P318 HydrophobicContact CG-CG 4.29Å
190	C	95.1	Very high	93.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-55.7	-34.7	176.3	-75.1	0	0	0	0	112.4	L186 T187 I213 N215 N224 V228	L186-C190 VanDerWaalsContact O-CB 3.28Å; L186-C190 WeakPolarHBondContact O-CB 3.36Å; L186-C190 PolarHBondContact O-N 3.2Å; L186-C190 PolarHBondContact O-SG 2.64Å; T187-C190 PolarHBondContact O-N 3Å; C190-I213 HydrophobicContact CB-CD1 4.49Å; C190-N215 HydrophobicContact CB-CB 4.01Å; C190-N215 WeakPolarHBondContact O-CB 3.35Å; C190-N215 PolarHBondContact O-ND2 3.38Å; C190-N224 PolarHBondContact O-ND2 3.1Å; C190-N224 PolarHBondContact O-OD1 2.86Å; C190-V228 HydrophobicContact CB-CG2 3.76Å
191	L	94.7	Very high	93.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-72.9	-47.9	178.1	-70.4	170.4	0	0	0	112.5	T187 A188 Y189 L221 N224 I225 V228 F229 F311 Y313 I362	T187-L191 HydrophobicContact CG2-CD1 4.23Å; T187-L191 VanDerWaalsContact O-CG 3.28Å; T187-L191 WeakPolarHBondContact O-CG 3.13Å; T187-L191 PolarHBondContact O-N 2.93Å; A188-L191 PolarHBondContact O-N 2.69Å; Y189-L191 PolarHBondContact O-N 3.27Å; L191-L221 WeakPolarHBondContact O-CD1 3.34Å; L191-N224 WeakPolarHBondContact O-CB 3.39Å; L191-N224 PolarHBondContact O-ND2 2.93Å; L191-I225 HydrophobicContact CD2-CB 4.49Å; L191-I225 HydrophobicContact CD2-CG1 3.89Å; L191-V228 HydrophobicContact CD2-CB 4.17Å; L191-V228 HydrophobicContact CD2-CG1 4.31Å; L191-V228 HydrophobicContact CD2-CG2 4.43Å; L191-F229 HydrophobicContact CD1-CE2 3.73Å; L191-F229 HydrophobicContact CD1-CZ 3.81Å; L191-F229 HydrophobicContact CD2-CD2 4.27Å; L191-F229 HydrophobicContact CD2-CE2 3.82Å; L191-F229 HydrophobicContact CD2-CZ 4.39Å; L191-F229 HydrophobicContact CG-CE2 4.36Å; L191-F311 HydrophobicContact CD1-CD1 4.45Å; L191-F311 HydrophobicContact CD1-CD2 3.52Å; L191-F311 HydrophobicContact CD1-CE2 3.7Å; L191-F311 HydrophobicContact CD1-CG 3.94Å; L191-F311 HydrophobicContact CD1-CZ 4.23Å; L191-Y313 WeakPolarHBondContact CB-OH 3.34Å; L191-I362 HydrophobicContact CD1-CD1 4.37Å; L191-I362 HydrophobicContact CD2-CD1 4.37Å
192	V	93.6	Very high	93.9	Very high	14 Å²	14	20.8 Å²	20.8	9%	0.085	12%	0.124	C	C	.	.	H	α-helix	trans	-85.8	-25.1	-171.7	72	0	0	0	0	114.1	A188 Y189 I194 Y313 G316 L364	A188-V192 PolarHBondContact O-N 2.91Å; Y189-V192 PolarHBondContact O-N 3.01Å; V192-I194 PolarHBondContact O-N 3.46Å; V192-Y313 HydrophobicContact CB-CD1 3.54Å; V192-Y313 HydrophobicContact CB-CE1 3.41Å; V192-Y313 VanDerWaalsContact CB-CE1 3.41Å; V192-Y313 HydrophobicContact CB-CE2 4.42Å; V192-Y313 HydrophobicContact CB-CG 4.11Å; V192-Y313 HydrophobicContact CG1-CD1 3.74Å; V192-Y313 HydrophobicContact CG1-CE1 3.54Å; V192-Y313 HydrophobicContact CG2-CD1 3.61Å; V192-Y313 HydrophobicContact CG2-CD2 4.41Å; V192-Y313 HydrophobicContact CG2-CE1 4.03Å; V192-Y313 HydrophobicContact CG2-CG 3.82Å; V192-G316 VanDerWaalsContact CG1-O 3.28Å; V192-G316 WeakPolarHBondContact CG1-O 3.32Å; V192-G316 WeakPolarHBondContact CG2-O 3.26Å; V192-L364 HydrophobicContact CG2-CD2 4.35Å
193	S	92	Very high	93.7	Very high	12 Å²	12	21.6 Å²	21.6	8%	0.084	13%	0.129	C	C	.	.			trans	-75.7	91.4	180	-62	0	0	0	0	110.8	Y189 N215 N224	Y189-S193 WeakPolarHBondContact O-CB 3.43Å; Y189-S193 PolarHBondContact O-N 3.33Å; Y189-S193 PolarHBondContact O-OG 3.33Å; S193-N215 PolarHBondContact O-ND2 3.06Å; S193-N224 PolarHBondContact O-ND2 2.88Å; S193-N224 VanDerWaalsContact O-ND2 3.11Å
194	I	91.3	Very high	93.1	Very high	90 Å²	90	21.1 Å²	21.1	46%	0.462	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	132.2	174.5	-60.5	170.8	0	0	0	109.1	V192 V196 I219 L221	V192-I194 PolarHBondContact O-N 3.46Å; I194-V196 PolarHBondContact O-N 3.15Å; I194-I219 VanDerWaalsContact CG2-O 3.31Å; I194-I219 WeakPolarHBondContact CG2-O 3.33Å; I194-L221 HydrophobicContact CD1-CB 4.31Å
195	G	91	Very high	92.5	Very high	47 Å²	47	29.1 Å²	29.1	49%	0.485	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	2.6	179.9	0	0	0	0	0	115.2	S218	G195-S218 WeakPolarHBondContact CA-O 3.44Å; G195-S218 PolarHBondContact N-O 2.92Å
196	V	93.6	Very high	91.8	Very high	24 Å²	24	38 Å²	38	15%	0.145	19%	0.194	C	C	.	.			trans	-118.5	115.1	174.2	-176.4	0	0	0	0	108.8	S47 S48 I50 I194 I198 N215	S47-V196 WeakPolarHBondContact O-CG1 3.45Å; S47-V196 WeakPolarHBondContact O-CG2 3.23Å; S48-V196 CarbonylContact O-C 3.59Å; S48-V196 WeakPolarHBondContact O-CA 3.42Å; I50-V196 HydrophobicContact CD1-CG1 3.9Å; I50-V196 HydrophobicContact CG1-CG1 4.16Å; I194-V196 PolarHBondContact O-N 3.15Å; V196-I198 HydrophobicContact CG1-CG1 4.15Å; V196-I198 PolarHBondContact O-N 3.17Å; V196-N215 PolarHBondContact O-ND2 3.41Å
197	Q	95.2	Very high	91.2	Very high	55 Å²	55	40 Å²	40	26%	0.257	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	108.1	175.7	179.9	179.3	10.1	0	0	109.7	S48 K49 I50 N215 G216	S48-Q197 PolarHBondContact O-N 2.84Å; K49-Q197 CarbonylContact C-O 3.59Å; K49-Q197 WeakPolarHBondContact CA-O 3.34Å; K49-Q197 HydrophobicContact CG-CB 4.37Å; I50-Q197 PolarHBondContact N-O 3.41Å; Q197-N215 WeakPolarHBondContact CA-OD1 3.4Å; Q197-G216 WeakPolarHBondContact CG-O 3.4Å
198	I	96.6	Very high	90.7	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	133	172.5	-56.8	171.7	0	0	0	108.2	L39 I50 V196 S214 N215	L39-I198 HydrophobicContact CD1-CD1 4.14Å; L39-I198 HydrophobicContact CD1-CG1 4.48Å; L39-I198 HydrophobicContact CD1-CG2 4.41Å; I50-I198 HydrophobicContact CB-CG1 4.44Å; I50-I198 HydrophobicContact CD1-CG1 4.49Å; I50-I198 CarbonylContact O-C 3.58Å; I50-I198 WeakPolarHBondContact O-CA 3.35Å; V196-I198 HydrophobicContact CG1-CG1 4.15Å; V196-I198 PolarHBondContact O-N 3.17Å; I198-S214 VanDerWaalsContact O-CA 3.25Å; I198-S214 WeakPolarHBondContact O-CA 3.35Å; I198-S214 PolarHBondContact O-OG 3.01Å; I198-N215 PolarHBondContact N-OD1 2.84Å; I198-N215 PolarHBondContact O-N 2.98Å; I198-N215 PolarHBondContact O-OD1 3.37Å
199	S	95.2	Very high	90.4	Very high	13 Å²	13	48 Å²	48	9%	0.091	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	142.7	175.5	57.2	0	0	0	0	110.2	I50 E51 I52 I213	I50-S199 PolarHBondContact O-N 3.22Å; I50-S199 PolarHBondContact O-OG 3.21Å; E51-S199 CarbonylContact C-O 3.48Å; E51-S199 WeakPolarHBondContact CA-O 3.28Å; I52-S199 PolarHBondContact N-O 2.89Å; S199-I213 CarbonylContact C-O 3.59Å; S199-I213 WeakPolarHBondContact CA-O 3.34Å
200	C	96	Very high	90	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.007	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	129.1	174.3	-176.4	0	0	0	0	110.3	I52 L186 N211 V212 I213	I52-C200 HydrophobicContact CB-CB 4.22Å; I52-C200 CarbonylContact O-C 3.59Å; I52-C200 WeakPolarHBondContact O-CA 3.12Å; L186-C200 HydrophobicContact CD1-CB 3.63Å; C200-N211 PolarHBondContact O-OD1 3.37Å; C200-V212 WeakPolarHBondContact O-CB 3.36Å; C200-V212 PolarHBondContact O-N 3.48Å; C200-I213 HydrophobicContact CB-CG2 3.74Å; C200-I213 PolarHBondContact N-O 3.31Å; C200-I213 PolarHBondContact O-N 3.26Å
201	S	93.7	Very high	89.7	Confident	13 Å²	13	54.2 Å²	54.2	9%	0.091	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	139.7	176.5	-64.7	0	0	0	0	110.8	I52 R53 L54 I210	I52-S201 PolarHBondContact O-N 3.19Å; R53-S201 CarbonylContact C-O 3.56Å; R53-S201 WeakPolarHBondContact CA-O 3.46Å; L54-S201 PolarHBondContact N-O 2.95Å; S201-I210 CarbonylContact C-O 3.46Å; S201-I210 VanDerWaalsContact CA-O 3.25Å; S201-I210 WeakPolarHBondContact CA-O 3.39Å
202	R	92.1	Very high	89.4	Confident	65 Å²	65	55.2 Å²	55.2	25%	0.245	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	136.1	168.2	178.5	-176.3	172.7	-172.3	4	109.2	L54 H57 I210 V212	L54-R202 WeakPolarHBondContact O-CA 3.3Å; H57-R202 PolarHBondContact CE1-NH1 2.84Å; H57-R202 PolarHBondContact CE1-NH2 3.48Å; H57-R202 PolarHBondContact NE2-NH2 3.26Å; R202-I210 PolarHBondContact N-O 3.43Å; R202-I210 PolarHBondContact O-N 3.04Å; R202-V212 HydrophobicContact CB-CG2 3.86Å
203	I	89.4	Confident	89.3	Confident	17 Å²	17	55.4 Å²	55.4	9%	0.087	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	116.6	171.8	-60.5	161.2	0	0	0	108.9	R53 L54 R55 E208 L209	R53-I203 HydrophobicContact CB-CD1 4.2Å; L54-I203 PolarHBondContact O-N 3.47Å; R55-I203 HydrophobicContact CB-CB 4.33Å; R55-I203 HydrophobicContact CB-CD1 4.07Å; R55-I203 HydrophobicContact CG-CB 4.38Å; I203-E208 CarbonylContact C-O 3.58Å; I203-E208 WeakPolarHBondContact CA-O 3.34Å; I203-L209 HydrophobicContact CG1-CD2 3.64Å
204	G	81	Confident	89.3	Confident	8 Å²	8	56 Å²	56	8%	0.082	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-72.5	173	174.9	0	0	0	0	0	112.8	K206 G207 E208	G204-K206 PolarHBondContact O-N 3.31Å; G204-G207 PolarHBondContact O-N 2.85Å; G204-E208 PolarHBondContact N-O 3.07Å
205	K	78.6	Confident	89.3	Confident	220 Å²	220	51.8 Å²	51.8	96%	0.957	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-31.6	-176.9	-66.2	-176.9	-179.1	178.3	0	113	G207	K205-G207 VanDerWaalsContact C-N 3.31Å
206	K	79.1	Confident	89.1	Confident	191 Å²	191	50.2 Å²	50.2	83%	0.83	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	3.3	178.3	-64.5	-179.2	179.9	175.3	0	113.6	G204 E208	G204-K206 PolarHBondContact O-N 3.31Å; K206-E208 VanDerWaalsContact C-N 3.32Å
207	G	82.5	Confident	88.7	Confident	43 Å²	43	54.9 Å²	54.9	44%	0.443	29%	0.289	S	S	.	.	S	Bend	trans	83	3.7	-174.3	0	0	0	0	0	114.7	G204 K205	G204-G207 PolarHBondContact O-N 2.85Å; K205-G207 VanDerWaalsContact C-N 3.31Å
208	E	85.1	Confident	88	Confident	105 Å²	105	52.5 Å²	52.5	49%	0.491	28%	0.279	S	S	.	.			trans	-64.7	143.3	174.2	70.3	-158.7	160.4	0	0	111.7	I203 G204 K206 I210	I203-E208 CarbonylContact C-O 3.58Å; I203-E208 WeakPolarHBondContact CA-O 3.34Å; G204-E208 PolarHBondContact N-O 3.07Å; K206-E208 VanDerWaalsContact C-N 3.32Å; E208-I210 HydrophobicContact CG-CD1 4.42Å; E208-I210 HydrophobicContact CG-CG1 4.09Å
209	L	87.8	Confident	87.7	Confident	85 Å²	85	59.6 Å²	59.6	45%	0.445	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	111.5	175	-67.2	175.9	0	0	0	109.2	R53 I203	R53-L209 HydrophobicContact CG-CD2 4.36Å; I203-L209 HydrophobicContact CG1-CD2 3.64Å
210	I	86.9	Confident	87.5	Confident	43 Å²	43	60.9 Å²	60.9	22%	0.221	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	110.6	175.7	-55.1	173.6	0	0	0	107.1	S201 R202 E208 V212 A700	S201-I210 CarbonylContact C-O 3.46Å; S201-I210 VanDerWaalsContact CA-O 3.25Å; S201-I210 WeakPolarHBondContact CA-O 3.39Å; R202-I210 PolarHBondContact N-O 3.43Å; R202-I210 PolarHBondContact O-N 3.04Å; E208-I210 HydrophobicContact CG-CD1 4.42Å; E208-I210 HydrophobicContact CG-CG1 4.09Å; I210-V212 PolarHBondContact O-N 2.9Å; I210-A700 HydrophobicContact CG2-CB 3.67Å
211	N	87.6	Confident	87.3	Confident	91 Å²	91	61.7 Å²	61.7	49%	0.487	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	128.9	176.4	-173.5	29.2	0	0	0	109.9	C200	C200-N211 PolarHBondContact O-OD1 3.37Å
212	V	88.8	Confident	87.3	Confident	21 Å²	21	65.2 Å²	65.2	13%	0.127	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-48.3	-175.9	171.1	0	0	0	0	110.6	F179 I183 C200 R202 I210 I672	F179-V212 HydrophobicContact CZ-CG1 4.23Å; F179-V212 HydrophobicContact CZ-CG2 4.2Å; I183-V212 HydrophobicContact CD1-CG1 3.41Å; I183-V212 VanDerWaalsContact CD1-CG1 3.41Å; I183-V212 HydrophobicContact CG1-CG1 3.86Å; I183-V212 HydrophobicContact CG2-CG1 4.36Å; C200-V212 WeakPolarHBondContact O-CB 3.36Å; C200-V212 PolarHBondContact O-N 3.48Å; R202-V212 HydrophobicContact CB-CG2 3.86Å; I210-V212 PolarHBondContact O-N 2.9Å; V212-I672 HydrophobicContact CB-CD1 3.78Å; V212-I672 HydrophobicContact CG1-CD1 3.48Å; V212-I672 VanDerWaalsContact CG1-CD1 3.48Å; V212-I672 HydrophobicContact CG2-CD1 4.07Å; V212-I672 VanDerWaalsContact O-CD1 3.24Å; V212-I672 WeakPolarHBondContact O-CD1 3.32Å
213	I	91.3	Very high	87.2	Confident	18 Å²	18	65.2 Å²	65.2	9%	0.092	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	141.4	178.5	-176.3	165.2	0	0	0	109.5	L186 T187 C190 S199 C200 V228	L186-I213 HydrophobicContact CB-CG2 4.32Å; T187-I213 HydrophobicContact CG2-CD1 4.18Å; T187-I213 WeakPolarHBondContact OG1-CD1 3.3Å; C190-I213 HydrophobicContact CB-CD1 4.49Å; S199-I213 CarbonylContact C-O 3.59Å; S199-I213 WeakPolarHBondContact CA-O 3.34Å; C200-I213 HydrophobicContact CB-CG2 3.74Å; C200-I213 PolarHBondContact N-O 3.31Å; C200-I213 PolarHBondContact O-N 3.26Å; I213-V228 HydrophobicContact CD1-CG1 3.89Å; I213-V228 HydrophobicContact CD1-CG2 4.45Å; I213-V228 HydrophobicContact CG1-CG2 4.47Å
214	S	92.4	Very high	87.4	Confident	24 Å²	24	64.4 Å²	64.4	17%	0.168	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	145	166.7	-173.4	0	0	0	0	110.6	I198 G216	I198-S214 VanDerWaalsContact O-CA 3.25Å; I198-S214 WeakPolarHBondContact O-CA 3.35Å; I198-S214 PolarHBondContact O-OG 3.01Å; S214-G216 PolarHBondContact OG-N 3.27Å
215	N	91.8	Very high	87.9	Confident	2 Å²	2	64 Å²	64	1%	0.011	34%	0.339	C	S	.	.			trans	-89.2	-3.5	170.5	67.5	-25.2	0	0	0	113.8	C190 S193 V196 Q197 I198 N224 A227 V228	C190-N215 HydrophobicContact CB-CB 4.01Å; C190-N215 WeakPolarHBondContact O-CB 3.35Å; C190-N215 PolarHBondContact O-ND2 3.38Å; S193-N215 PolarHBondContact O-ND2 3.06Å; V196-N215 PolarHBondContact O-ND2 3.41Å; Q197-N215 WeakPolarHBondContact CA-OD1 3.4Å; I198-N215 PolarHBondContact N-OD1 2.84Å; I198-N215 PolarHBondContact O-N 2.98Å; I198-N215 PolarHBondContact O-OD1 3.37Å; N215-N224 WeakPolarHBondContact CB-OD1 3.45Å; N215-N224 PolarHBondContact ND2-OD1 2.86Å; N215-N224 VanDerWaalsContact ND2-OD1 3.07Å; N215-A227 VanDerWaalsContact O-CB 3.23Å; N215-A227 WeakPolarHBondContact O-CB 3.5Å; N215-V228 HydrophobicContact CB-CG2 4.19Å
216	G	86.3	Confident	88.4	Confident	15 Å²	15	54.2 Å²	54.2	16%	0.155	30%	0.298	C	S	.	.			trans	63	-170.9	-178.8	0	0	0	0	0	113.9	Q197 S214 S218	Q197-G216 WeakPolarHBondContact CG-O 3.4Å; S214-G216 PolarHBondContact OG-N 3.27Å; G216-S218 PolarHBondContact O-N 2.95Å; G216-S218 VanDerWaalsContact O-N 3.11Å
217	P	85.8	Confident	88.9	Confident	121 Å²	121	47.6 Å²	47.6	79%	0.786	28%	0.279	S	S	*	.	S	Bend	trans	-77.8	89.1	172.2	31.8	-32	0	0	0	109.4
218	S	80.6	Confident	89.2	Confident	6 Å²	6	46.9 Å²	46.9	4%	0.042	27%	0.266	C	S	.	.			trans	-102.5	141.1	-178	54.7	0	0	0	0	112.1	G195 G216 N224	G195-S218 WeakPolarHBondContact CA-O 3.44Å; G195-S218 PolarHBondContact N-O 2.92Å; G216-S218 PolarHBondContact O-N 2.95Å; G216-S218 VanDerWaalsContact O-N 3.11Å; S218-N224 WeakPolarHBondContact CB-OD1 3.37Å; S218-N224 PolarHBondContact OG-OD1 2.94Å
219	I	88.9	Confident	89.3	Confident	149 Å²	149	43.6 Å²	43.6	76%	0.764	25%	0.25	S	S	*	.	S	Bend	trans	-108.5	-12.4	174	58	169.4	0	0	0	112	I194 D223	I194-I219 VanDerWaalsContact CG2-O 3.31Å; I194-I219 WeakPolarHBondContact CG2-O 3.33Å; I219-D223 VanDerWaalsContact CG1-OD2 3.26Å; I219-D223 WeakPolarHBondContact CG1-OD2 3.46Å; I219-D223 PolarHBondContact N-OD2 3.07Å
220	S	92.2	Very high	89.1	Confident	40 Å²	40	40.9 Å²	40.9	28%	0.28	24%	0.243	S	C	.	.	S	Bend	trans	-138.9	161.8	-178.2	74.5	0	0	0	0	112.5	K222 D223 N224	S220-K222 PolarHBondContact O-N 3.34Å; S220-K222 PolarHBondContact OG-N 3.3Å; S220-D223 WeakPolarHBondContact CB-OD2 3.39Å; S220-D223 PolarHBondContact N-OD2 3.25Å; S220-D223 PolarHBondContact O-N 3.44Å; S220-D223 PolarHBondContact OG-N 3.25Å; S220-D223 PolarHBondContact OG-OD1 3.43Å; S220-D223 PolarHBondContact OG-OD2 3.14Å; S220-N224 PolarHBondContact O-N 3.15Å
221	L	92.4	Very high	88.9	Confident	19 Å²	19	45.2 Å²	45.2	10%	0.099	26%	0.262	C	S	.	.	H	α-helix	trans	-60.9	-31.9	172.5	-178.9	57	0	0	0	112.1	L191 I194 N224 I225 Y270 I362 L364	L191-L221 WeakPolarHBondContact O-CD1 3.34Å; I194-L221 HydrophobicContact CD1-CB 4.31Å; L221-N224 WeakPolarHBondContact O-CB 3.36Å; L221-N224 PolarHBondContact O-N 3.46Å; L221-I225 HydrophobicContact CD1-CD1 4.38Å; L221-I225 HydrophobicContact CD1-CG1 4.46Å; L221-I225 HydrophobicContact CG-CD1 4.08Å; L221-I225 VanDerWaalsContact O-CG1 3.27Å; L221-I225 WeakPolarHBondContact O-CG1 3.43Å; L221-I225 PolarHBondContact O-N 2.75Å; L221-Y270 HydrophobicContact CB-CE2 4.43Å; L221-Y270 HydrophobicContact CD2-CD2 3.98Å; L221-Y270 HydrophobicContact CD2-CE2 3.65Å; L221-Y270 HydrophobicContact CG-CD2 4.29Å; L221-Y270 HydrophobicContact CG-CE2 3.85Å; L221-I362 HydrophobicContact CD2-CG2 4.48Å; L221-L364 HydrophobicContact CD2-CD1 3.68Å; L221-L364 HydrophobicContact CD2-CD2 3.98Å
222	K	92	Very high	88.4	Confident	87 Å²	87	42.8 Å²	42.8	38%	0.378	25%	0.254	S	S	.	.	H	α-helix	trans	-64.5	-40.8	176.4	-66.5	-174.1	-177.7	177.5	0	111.4	S220 I225 S226 L234 E239 Y270	S220-K222 PolarHBondContact O-N 3.34Å; S220-K222 PolarHBondContact OG-N 3.3Å; K222-I225 PolarHBondContact O-N 3.03Å; K222-S226 WeakPolarHBondContact O-CB 3.35Å; K222-S226 PolarHBondContact O-N 3.22Å; K222-L234 HydrophobicContact CB-CD1 4.32Å; K222-L234 HydrophobicContact CB-CD2 4.33Å; K222-L234 HydrophobicContact CG-CD1 4.36Å; K222-E239 WeakPolarHBondContact CE-OE2 3.4Å; K222-E239 IonicContact NZ-OE2 2.64Å; K222-E239 PolarHBondContact NZ-OE2 2.9Å; K222-Y270 WeakPolarHBondContact CE-OH 3.35Å; K222-Y270 HydrophobicContact CG-CE1 4.31Å; K222-Y270 WeakPolarHBondContact CG-OH 3.4Å
223	D	91.6	Very high	88.1	Confident	65 Å²	65	42 Å²	42	35%	0.348	25%	0.249	S	C	.	.	H	α-helix	trans	-64.4	-43.9	177	-54.6	-38.6	0	0	0	111	I219 S220 I225 S226 A227	I219-D223 VanDerWaalsContact CG1-OD2 3.26Å; I219-D223 WeakPolarHBondContact CG1-OD2 3.46Å; I219-D223 PolarHBondContact N-OD2 3.07Å; S220-D223 WeakPolarHBondContact CB-OD2 3.39Å; S220-D223 PolarHBondContact N-OD2 3.25Å; S220-D223 PolarHBondContact O-N 3.44Å; S220-D223 PolarHBondContact OG-N 3.25Å; S220-D223 PolarHBondContact OG-OD1 3.43Å; S220-D223 PolarHBondContact OG-OD2 3.14Å; D223-I225 PolarHBondContact O-N 3.46Å; D223-S226 PolarHBondContact O-N 3.17Å; D223-A227 WeakPolarHBondContact O-CB 3.49Å; D223-A227 PolarHBondContact O-N 3.1Å
224	N	93.2	Very high	87.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.4	-48.8	175.2	-79.4	-16.4	0	0	0	111.7	C190 L191 S193 N215 S218 S220 L221 S226 A227 V228	C190-N224 PolarHBondContact O-ND2 3.1Å; C190-N224 PolarHBondContact O-OD1 2.86Å; L191-N224 WeakPolarHBondContact O-CB 3.39Å; L191-N224 PolarHBondContact O-ND2 2.93Å; S193-N224 PolarHBondContact O-ND2 2.88Å; S193-N224 VanDerWaalsContact O-ND2 3.11Å; N215-N224 WeakPolarHBondContact CB-OD1 3.45Å; N215-N224 PolarHBondContact ND2-OD1 2.86Å; N215-N224 VanDerWaalsContact ND2-OD1 3.07Å; S218-N224 WeakPolarHBondContact CB-OD1 3.37Å; S218-N224 PolarHBondContact OG-OD1 2.94Å; S220-N224 PolarHBondContact O-N 3.15Å; L221-N224 WeakPolarHBondContact O-CB 3.36Å; L221-N224 PolarHBondContact O-N 3.46Å; N224-S226 VanDerWaalsContact C-N 3.33Å; N224-S226 PolarHBondContact O-N 3.26Å; N224-A227 PolarHBondContact O-N 3.48Å; N224-V228 WeakPolarHBondContact O-CB 3.42Å; N224-V228 VanDerWaalsContact O-CG2 3.29Å; N224-V228 WeakPolarHBondContact O-CG2 3Å; N224-V228 PolarHBondContact O-N 3.18Å
225	I	91.2	Very high	87.5	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.5	-44.5	177.9	-68.6	165.2	0	0	0	110.7	L191 L221 K222 D223 V228 F229 L234 L237 Y270 I362	L191-I225 HydrophobicContact CD2-CB 4.49Å; L191-I225 HydrophobicContact CD2-CG1 3.89Å; L221-I225 HydrophobicContact CD1-CD1 4.38Å; L221-I225 HydrophobicContact CD1-CG1 4.46Å; L221-I225 HydrophobicContact CG-CD1 4.08Å; L221-I225 VanDerWaalsContact O-CG1 3.27Å; L221-I225 WeakPolarHBondContact O-CG1 3.43Å; L221-I225 PolarHBondContact O-N 2.75Å; K222-I225 PolarHBondContact O-N 3.03Å; D223-I225 PolarHBondContact O-N 3.46Å; I225-V228 PolarHBondContact O-N 3.17Å; I225-F229 HydrophobicContact CG2-CD2 4.3Å; I225-F229 WeakPolarHBondContact O-CB 3.45Å; I225-F229 PolarHBondContact O-N 2.78Å; I225-L234 HydrophobicContact CB-CD1 4.3Å; I225-L234 HydrophobicContact CG2-CB 4.21Å; I225-L234 HydrophobicContact CG2-CD1 3.94Å; I225-L237 HydrophobicContact CD1-CD1 4.14Å; I225-L237 HydrophobicContact CG2-CD1 3.7Å; I225-Y270 HydrophobicContact CD1-CD2 3.45Å; I225-Y270 VanDerWaalsContact CD1-CD2 3.45Å; I225-Y270 HydrophobicContact CD1-CE2 3.85Å; I225-Y270 HydrophobicContact CD1-CG 3.97Å; I225-I362 HydrophobicContact CD1-CD1 3.59Å; I225-I362 HydrophobicContact CG1-CD1 3.6Å
226	S	90	Very high	87.3	Confident	13 Å²	13	48 Å²	48	9%	0.091	28%	0.279	C	S	.	.	H	α-helix	trans	-63.4	-42.5	178.7	-170.2	0	0	0	0	112.3	K222 D223 N224 G230 H231	K222-S226 WeakPolarHBondContact O-CB 3.35Å; K222-S226 PolarHBondContact O-N 3.22Å; D223-S226 PolarHBondContact O-N 3.17Å; N224-S226 VanDerWaalsContact C-N 3.33Å; N224-S226 PolarHBondContact O-N 3.26Å; S226-G230 CarbonylContact O-C 3.53Å; S226-G230 WeakPolarHBondContact O-CA 3.44Å; S226-G230 PolarHBondContact O-N 3.31Å; S226-H231 PolarHBondContact OG-CD2 3.03Å; S226-H231 PolarHBondContact OG-CE1 3.36Å; S226-H231 PolarHBondContact OG-ND1 3.43Å; S226-H231 VanDerWaalsContact OG-ND1 3.14Å; S226-H231 PolarHBondContact OG-NE2 3.32Å
227	A	88.2	Confident	87.5	Confident	53 Å²	53	47.9 Å²	47.9	44%	0.438	28%	0.275	S	S	.	.	H	α-helix	trans	-67.5	-40.4	179.5	0	0	0	0	0	112.3	N215 D223 N224	N215-A227 VanDerWaalsContact O-CB 3.23Å; N215-A227 WeakPolarHBondContact O-CB 3.5Å; D223-A227 WeakPolarHBondContact O-CB 3.49Å; D223-A227 PolarHBondContact O-N 3.1Å; N224-A227 PolarHBondContact O-N 3.48Å
228	V	89.7	Confident	87.7	Confident	28 Å²	28	43.3 Å²	43.3	17%	0.17	25%	0.245	C	C	.	.	H	α-helix	trans	-83.1	-43.1	-175.4	173.6	0	0	0	0	112.7	T187 C190 L191 I213 N215 N224 I225	T187-V228 HydrophobicContact CG2-CG1 3.72Å; C190-V228 HydrophobicContact CB-CG2 3.76Å; L191-V228 HydrophobicContact CD2-CB 4.17Å; L191-V228 HydrophobicContact CD2-CG1 4.31Å; L191-V228 HydrophobicContact CD2-CG2 4.43Å; I213-V228 HydrophobicContact CD1-CG1 3.89Å; I213-V228 HydrophobicContact CD1-CG2 4.45Å; I213-V228 HydrophobicContact CG1-CG2 4.47Å; N215-V228 HydrophobicContact CB-CG2 4.19Å; N224-V228 WeakPolarHBondContact O-CB 3.42Å; N224-V228 VanDerWaalsContact O-CG2 3.29Å; N224-V228 WeakPolarHBondContact O-CG2 3Å; N224-V228 PolarHBondContact O-N 3.18Å; I225-V228 PolarHBondContact O-N 3.17Å
229	F	86.1	Confident	88.4	Confident	35 Å²	35	48 Å²	48	15%	0.154	27%	0.266	C	S	.	.	H	α-helix	trans	-109.7	-9.7	-175.8	-61.6	-40.6	0	0	0	114.8	T187 L191 I225 Q233 R309 F311 I362	T187-F229 HydrophobicContact CG2-CE1 3.82Å; T187-F229 HydrophobicContact CG2-CZ 3.76Å; L191-F229 HydrophobicContact CD1-CE2 3.73Å; L191-F229 HydrophobicContact CD1-CZ 3.81Å; L191-F229 HydrophobicContact CD2-CD2 4.27Å; L191-F229 HydrophobicContact CD2-CE2 3.82Å; L191-F229 HydrophobicContact CD2-CZ 4.39Å; L191-F229 HydrophobicContact CG-CE2 4.36Å; I225-F229 HydrophobicContact CG2-CD2 4.3Å; I225-F229 WeakPolarHBondContact O-CB 3.45Å; I225-F229 PolarHBondContact O-N 2.78Å; F229-Q233 HydrophobicContact CB-CB 3.74Å; F229-Q233 HydrophobicContact CB-CG 3.76Å; F229-Q233 HydrophobicContact CD2-CG 4.38Å; F229-Q233 HydrophobicContact CG-CG 4.37Å; F229-R309 HydrophobicContact CE1-CG 4.47Å; F229-F311 HydrophobicContact CE2-CE2 4.28Å; F229-F311 HydrophobicContact CZ-CD2 4.48Å; F229-F311 AromaticContact CZ-CE2 3.64Å; F229-F311 HydrophobicContact CZ-CE2 3.64Å; F229-F311 HydrophobicContact CZ-CZ 4.28Å; F229-I362 HydrophobicContact CE2-CD1 4.36Å
230	G	83.7	Confident	88.5	Confident	29 Å²	29	41.4 Å²	41.4	30%	0.299	23%	0.233	S	C	.	.			trans	88.5	152.8	-176.3	0	0	0	0	0	113.7	S226 A232 Q233 L234	S226-G230 CarbonylContact O-C 3.53Å; S226-G230 WeakPolarHBondContact O-CA 3.44Å; S226-G230 PolarHBondContact O-N 3.31Å; G230-A232 PolarHBondContact O-N 2.97Å; G230-Q233 WeakPolarHBondContact O-CB 3.31Å; G230-Q233 PolarHBondContact O-N 2.87Å; G230-L234 PolarHBondContact O-N 2.72Å
231	H	82.5	Confident	88.3	Confident	134 Å²	134	42.5 Å²	42.5	62%	0.62	23%	0.234	S	C	*	.	H	α-helix	trans	-52.9	-38.9	177	-76.6	-81.3	0	0	0	113.5	S226 Q233 L234 D235	S226-H231 PolarHBondContact OG-CD2 3.03Å; S226-H231 PolarHBondContact OG-CE1 3.36Å; S226-H231 PolarHBondContact OG-ND1 3.43Å; S226-H231 VanDerWaalsContact OG-ND1 3.14Å; S226-H231 PolarHBondContact OG-NE2 3.32Å; H231-Q233 PolarHBondContact O-N 2.9Å; H231-L234 WeakPolarHBondContact O-CB 3.47Å; H231-L234 PolarHBondContact O-N 3.29Å; H231-L234 VanDerWaalsContact O-N 3.08Å; H231-D235 PolarHBondContact O-N 3.44Å
232	A	77.6	Confident	88	Confident	39 Å²	39	47.7 Å²	47.7	32%	0.322	26%	0.257	S	S	.	.	H	α-helix	trans	-64.9	-29.1	-178.2	0	0	0	0	0	112.4	G230 N236 T300	G230-A232 PolarHBondContact O-N 2.97Å; A232-N236 PolarHBondContact O-ND2 3.06Å; A232-T300 HydrophobicContact CB-CG2 3.54Å
233	Q	83.4	Confident	87.6	Confident	5 Å²	5	45.1 Å²	45.1	2%	0.023	25%	0.247	C	C	.	.	H	α-helix	trans	-71.3	-46	171.6	179.6	67.5	80	0	0	110.8	F229 G230 H231 D235 N236 L237 Y304	F229-Q233 HydrophobicContact CB-CB 3.74Å; F229-Q233 HydrophobicContact CB-CG 3.76Å; F229-Q233 HydrophobicContact CD2-CG 4.38Å; F229-Q233 HydrophobicContact CG-CG 4.37Å; G230-Q233 WeakPolarHBondContact O-CB 3.31Å; G230-Q233 PolarHBondContact O-N 2.87Å; H231-Q233 PolarHBondContact O-N 2.9Å; Q233-D235 VanDerWaalsContact C-N 3.27Å; Q233-D235 PolarHBondContact O-N 3.44Å; Q233-N236 PolarHBondContact O-N 2.78Å; Q233-L237 WeakPolarHBondContact O-CG 3.49Å; Q233-L237 PolarHBondContact O-N 3.26Å; Q233-Y304 PolarHBondContact OE1-OH 3.11Å
234	L	86	Confident	86.9	Confident	34 Å²	34	49 Å²	49	18%	0.178	27%	0.268	C	S	.	.	H	α-helix	trans	-57	-40.5	-178.3	179.6	62.8	0	0	0	111.8	K222 I225 G230 H231 N236 L237	K222-L234 HydrophobicContact CB-CD1 4.32Å; K222-L234 HydrophobicContact CB-CD2 4.33Å; K222-L234 HydrophobicContact CG-CD1 4.36Å; I225-L234 HydrophobicContact CB-CD1 4.3Å; I225-L234 HydrophobicContact CG2-CB 4.21Å; I225-L234 HydrophobicContact CG2-CD1 3.94Å; G230-L234 PolarHBondContact O-N 2.72Å; H231-L234 WeakPolarHBondContact O-CB 3.47Å; H231-L234 PolarHBondContact O-N 3.29Å; H231-L234 VanDerWaalsContact O-N 3.08Å; L234-N236 PolarHBondContact O-N 3.03Å; L234-L237 WeakPolarHBondContact O-CB 3.37Å; L234-L237 PolarHBondContact O-N 3.38Å
235	D	85.2	Confident	86.4	Confident	110 Å²	110	54.4 Å²	54.4	59%	0.588	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.5	178.1	-67	-23.7	0	0	0	113.6	H231 Q233 K273	H231-D235 PolarHBondContact O-N 3.44Å; Q233-D235 VanDerWaalsContact C-N 3.27Å; Q233-D235 PolarHBondContact O-N 3.44Å; D235-K273 PolarHBondContact O-NZ 3.41Å
236	N	86.3	Confident	86	Confident	25 Å²	25	55.5 Å²	55.5	13%	0.134	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	0	177.8	-66.2	-56.5	0	0	0	113.5	A232 Q233 L234 S272 K273 T300	A232-N236 PolarHBondContact O-ND2 3.06Å; Q233-N236 PolarHBondContact O-N 2.78Å; L234-N236 PolarHBondContact O-N 3.03Å; N236-S272 WeakPolarHBondContact O-CA 3.49Å; N236-K273 WeakPolarHBondContact O-CG 3.22Å; N236-K273 PolarHBondContact O-N 3.19Å; N236-T300 VanDerWaalsContact ND2-CB 3.3Å; N236-T300 WeakPolarHBondContact ND2-CB 3.12Å; N236-T300 PolarHBondContact ND2-OG1 3.29Å
237	L	90.9	Very high	85.8	Confident	13 Å²	13	57.6 Å²	57.6	7%	0.068	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	151	176.3	-59.5	-178.1	0	0	0	110.9	I225 Q233 L234 Y270 V271 V360	I225-L237 HydrophobicContact CD1-CD1 4.14Å; I225-L237 HydrophobicContact CG2-CD1 3.7Å; Q233-L237 WeakPolarHBondContact O-CG 3.49Å; Q233-L237 PolarHBondContact O-N 3.26Å; L234-L237 WeakPolarHBondContact O-CB 3.37Å; L234-L237 PolarHBondContact O-N 3.38Å; L237-Y270 HydrophobicContact CB-CD1 4.1Å; L237-Y270 HydrophobicContact CB-CG 4.48Å; L237-Y270 HydrophobicContact CD1-CG 4.35Å; L237-V271 CarbonylContact C-O 3.55Å; L237-V271 WeakPolarHBondContact CA-O 3.29Å; L237-V360 HydrophobicContact CD2-CB 3.86Å; L237-V360 HydrophobicContact CD2-CG1 3.81Å
238	V	90.8	Very high	85.5	Confident	25 Å²	25	62 Å²	62	15%	0.152	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.5	168.3	-168.1	0	0	0	0	107.1	Y270 V271 K273 T402	V238-Y270 VanDerWaalsContact O-CA 3.27Å; V238-Y270 WeakPolarHBondContact O-CA 3.16Å; V238-V271 HydrophobicContact CB-CG1 4.47Å; V238-V271 PolarHBondContact N-O 3.14Å; V238-V271 PolarHBondContact O-N 3.35Å; V238-K273 HydrophobicContact CG2-CB 4.25Å; V238-K273 HydrophobicContact CG2-CD 4.22Å; V238-K273 HydrophobicContact CG2-CG 3.21Å; V238-T402 HydrophobicContact CB-CG2 4.09Å; V238-T402 HydrophobicContact CG1-CG2 3.57Å
239	E	93.8	Very high	85.3	Confident	104 Å²	104	64.6 Å²	64.6	49%	0.486	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	134.9	172	-168.7	164.5	-178.7	0	0	109.5	K222 E241 G269 Y270 T402	K222-E239 WeakPolarHBondContact CE-OE2 3.4Å; K222-E239 IonicContact NZ-OE2 2.64Å; K222-E239 PolarHBondContact NZ-OE2 2.9Å; E239-E241 PolarHBondContact O-N 3.05Å; E239-G269 WeakPolarHBondContact CA-O 3.5Å; E239-Y270 HydrophobicContact CB-CD1 4.09Å; E239-Y270 HydrophobicContact CB-CE1 3.67Å; E239-Y270 HydrophobicContact CG-CE1 3.87Å; E239-T402 WeakPolarHBondContact O-CG2 3.47Å
240	L	92.9	Very high	85.3	Confident	11 Å²	11	63.2 Å²	63.2	6%	0.058	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-67.5	129.5	-178.7	-64.6	176.8	0	0	0	111.1	I267 G269 V271 L363 V398 L399 T402	L240-I267 HydrophobicContact CD1-CG2 4Å; L240-G269 PolarHBondContact N-O 3.08Å; L240-V271 HydrophobicContact CD2-CB 4.31Å; L240-V271 HydrophobicContact CD2-CG1 3.8Å; L240-L363 HydrophobicContact CD1-CD2 3.53Å; L240-V398 HydrophobicContact CB-CG1 3.9Å; L240-V398 HydrophobicContact CD1-CG1 4.25Å; L240-V398 HydrophobicContact CD2-CG1 4.24Å; L240-V398 HydrophobicContact CG-CG1 4.35Å; L240-L399 HydrophobicContact CD2-CD2 3.94Å; L240-T402 HydrophobicContact CD2-CG2 4.1Å
241	E	86.2	Confident	85.3	Confident	64 Å²	64	62.4 Å²	62.4	30%	0.299	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-75.9	134.9	176.1	-68.5	-171.1	-159.9	0	0	111.4	E239 K401 T402 N405	E239-E241 PolarHBondContact O-N 3.05Å; E241-K401 HydrophobicContact CB-CD 4.14Å; E241-K401 HydrophobicContact CB-CG 4.38Å; E241-K401 WeakPolarHBondContact OE2-CE 3.49Å; E241-K401 WeakPolarHBondContact OE2-CG 3.44Å; E241-K401 IonicContact OE2-NZ 2.76Å; E241-T402 PolarHBondContact N-OG1 3.27Å; E241-N405 VanDerWaalsContact CD-ND2 3.26Å; E241-N405 WeakPolarHBondContact OE1-CB 3.19Å; E241-N405 PolarHBondContact OE1-ND2 2.89Å; E241-N405 PolarHBondContact OE2-ND2 3.28Å
242	Q	86	Confident	85.4	Confident	128 Å²	128	63 Å²	63	60%	0.598	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-72.2	144.8	173.1	-64.7	-170.5	-12	0	0	110.7	K401	Q242-K401 PolarHBondContact O-NZ 3.22Å
243	I	83.6	Confident	85.7	Confident	32 Å²	32	63.2 Å²	63.2	16%	0.164	33%	0.326	C	S	.	.			trans	-123.7	136.9	173.9	72.5	175.3	0	0	0	109.5	I246 L394 A397 V398 K401	I243-I246 HydrophobicContact CD1-CG1 4.41Å; I243-L394 HydrophobicContact CD1-CD1 3.73Å; I243-L394 HydrophobicContact CG1-CD1 3.76Å; I243-A397 HydrophobicContact CD1-CB 3.26Å; I243-V398 HydrophobicContact CD1-CG2 3.93Å; I243-V398 HydrophobicContact CG1-CG2 3.84Å; I243-V398 HydrophobicContact CG2-CG2 4.2Å; I243-K401 HydrophobicContact CG2-CB 4.41Å; I243-K401 HydrophobicContact CG2-CD 3.47Å; I243-K401 VanDerWaalsContact CG2-CD 3.47Å
244	D	78.5	Confident	85.8	Confident	148 Å²	148	63.7 Å²	63.7	79%	0.791	33%	0.327	S	S	*	.	S	Bend	trans	-86.9	-35	178.5	-59.2	-46.3	0	0	0	111.5
245	T	81.1	Confident	85.7	Confident	112 Å²	112	69 Å²	69	69%	0.687	36%	0.356	S	S	*	.	S	Bend	trans	-133.9	143	179.9	53.1	0	0	0	0	110.7
246	I	84	Confident	85.4	Confident	23 Å²	23	65 Å²	65	12%	0.118	33%	0.334	C	S	.	.			trans	-79.4	128.9	173.6	-57.8	175.7	0	0	0	107.5	I243 I250 Y390 A393 L394 A397	I243-I246 HydrophobicContact CD1-CG1 4.41Å; I246-I250 HydrophobicContact CG2-CB 4.02Å; I246-I250 HydrophobicContact CG2-CG2 3.92Å; I246-Y390 HydrophobicContact CD1-CD2 3.97Å; I246-Y390 HydrophobicContact CD1-CE2 3.54Å; I246-A393 HydrophobicContact CD1-CB 4.18Å; I246-A393 HydrophobicContact CG2-CB 4.29Å; I246-L394 HydrophobicContact CD1-CB 4.05Å; I246-L394 HydrophobicContact CD1-CD1 4.44Å; I246-L394 HydrophobicContact CG1-CD1 4.22Å; I246-A397 HydrophobicContact CG2-CB 4.23Å
247	P	85.4	Confident	84.8	Confident	57 Å²	57	71.2 Å²	71.2	37%	0.37	36%	0.36	S	S	.	.			trans	-52.2	144.9	173.6	-29.4	37.8	0	0	0	113.2	D249 I250 C251	P247-D249 VanDerWaalsContact C-N 3.35Å; P247-D249 WeakPolarHBondContact CB-OD1 3.48Å; P247-D249 PolarHBondContact O-N 2.94Å; P247-I250 HydrophobicContact CB-CD1 4.37Å; P247-I250 HydrophobicContact CB-CG1 4.44Å; P247-I250 HydrophobicContact CG-CD1 4.25Å; P247-I250 PolarHBondContact O-N 3.39Å; P247-C251 PolarHBondContact O-N 2.73Å; P247-C251 PolarHBondContact O-SG 3.01Å
248	E	82.8	Confident	83.3	Confident	147 Å²	147	75.5 Å²	75.5	69%	0.687	39%	0.391	S	S	*	.	H	α-helix	trans	-63.5	-37.5	-174.5	-71.6	-178.3	170.1	0	0	112.8	I250 C251 E252	E248-I250 VanDerWaalsContact C-N 3.31Å; E248-I250 PolarHBondContact O-N 3.26Å; E248-C251 WeakPolarHBondContact O-CB 3.03Å; E248-C251 PolarHBondContact O-N 3.35Å; E248-C251 VanDerWaalsContact O-N 3.11Å; E248-E252 WeakPolarHBondContact O-CG 3.48Å; E248-E252 PolarHBondContact O-N 3.46Å
249	D	83.9	Confident	81.7	Confident	81 Å²	81	78.9 Å²	78.9	43%	0.433	42%	0.416	S	S	.	.	H	α-helix	trans	-58.9	-41.1	175.6	60	-42.9	0	0	0	112.2	P247 E253	P247-D249 VanDerWaalsContact C-N 3.35Å; P247-D249 WeakPolarHBondContact CB-OD1 3.48Å; P247-D249 PolarHBondContact O-N 2.94Å; D249-E253 PolarHBondContact O-N 3.47Å; D249-E253 VanDerWaalsContact O-N 3.15Å
250	I	85.8	Confident	79.9	Confident	7 Å²	7	76.7 Å²	76.7	4%	0.036	41%	0.412	C	S	.	.	H	α-helix	trans	-73.4	-37.4	175.5	-60.1	177.2	0	0	0	110.4	I246 P247 E248 E252 E253 F254 A393 K396 A397	I246-I250 HydrophobicContact CG2-CB 4.02Å; I246-I250 HydrophobicContact CG2-CG2 3.92Å; P247-I250 HydrophobicContact CB-CD1 4.37Å; P247-I250 HydrophobicContact CB-CG1 4.44Å; P247-I250 HydrophobicContact CG-CD1 4.25Å; P247-I250 PolarHBondContact O-N 3.39Å; E248-I250 VanDerWaalsContact C-N 3.31Å; E248-I250 PolarHBondContact O-N 3.26Å; I250-E252 VanDerWaalsContact C-N 3.33Å; I250-E252 PolarHBondContact O-N 2.84Å; I250-E253 PolarHBondContact O-N 3.23Å; I250-F254 HydrophobicContact CG2-CD2 3.83Å; I250-F254 HydrophobicContact CG2-CE2 4Å; I250-F254 WeakPolarHBondContact O-CD2 3.27Å; I250-F254 PolarHBondContact O-N 3.46Å; I250-A393 HydrophobicContact CG2-CB 3.82Å; I250-K396 HydrophobicContact CD1-CG 4.23Å; I250-K396 HydrophobicContact CG1-CD 4.47Å; I250-K396 HydrophobicContact CG2-CB 4.27Å; I250-K396 HydrophobicContact CG2-CD 4.29Å; I250-A397 HydrophobicContact CD1-CB 3.7Å
251	C	84.2	Confident	78.1	Confident	11 Å²	11	82.4 Å²	82.4	7%	0.074	44%	0.441	C	S	.	.	H	α-helix	trans	-59.6	-44	175.3	-69.2	0	0	0	0	111.7	P247 E248 F254 N255 I256	P247-C251 PolarHBondContact O-N 2.73Å; P247-C251 PolarHBondContact O-SG 3.01Å; E248-C251 WeakPolarHBondContact O-CB 3.03Å; E248-C251 PolarHBondContact O-N 3.35Å; E248-C251 VanDerWaalsContact O-N 3.11Å; C251-F254 PolarHBondContact O-N 3.23Å; C251-N255 PolarHBondContact O-N 3.37Å; C251-N255 VanDerWaalsContact O-N 3.11Å; C251-I256 HydrophobicContact CB-CB 4.46Å; C251-I256 PolarHBondContact O-N 3.04Å
252	E	84.5	Confident	76.7	Confident	147 Å²	147	80 Å²	80	69%	0.687	43%	0.433	S	S	*	.	H	α-helix	trans	-64.1	-44.5	177	-72.5	-178.7	179.2	0	0	112.1	E248 I250 F254 N255	E248-E252 WeakPolarHBondContact O-CG 3.48Å; E248-E252 PolarHBondContact O-N 3.46Å; I250-E252 VanDerWaalsContact C-N 3.33Å; I250-E252 PolarHBondContact O-N 2.84Å; E252-F254 VanDerWaalsContact C-N 3.28Å; E252-F254 PolarHBondContact O-N 3.02Å; E252-N255 PolarHBondContact O-N 3.25Å; E252-N255 VanDerWaalsContact O-N 3.12Å
253	E	84.5	Confident	75.6	Confident	44 Å²	44	80.2 Å²	80.2	21%	0.206	43%	0.434	C	S	.	.	H	α-helix	trans	-57.7	-40	178.7	-176.7	-175.7	177.8	0	0	112.7	D249 I250 K396	D249-E253 PolarHBondContact O-N 3.47Å; D249-E253 VanDerWaalsContact O-N 3.15Å; I250-E253 PolarHBondContact O-N 3.23Å; E253-K396 IonicContact OE1-NZ 3.75Å; E253-K396 PolarHBondContact OE1-NZ 2.82Å; E253-K396 IonicContact OE2-NZ 2.85Å; E253-K396 PolarHBondContact OE2-NZ 2.9Å
254	F	85.1	Confident	75.3	Confident	14 Å²	14	82.3 Å²	82.3	6%	0.061	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	7.6	-179.9	-71.6	-79.9	0	0	0	114	I250 C251 E252 I256 N389 M392 A393 K396 F421	I250-F254 HydrophobicContact CG2-CD2 3.83Å; I250-F254 HydrophobicContact CG2-CE2 4Å; I250-F254 WeakPolarHBondContact O-CD2 3.27Å; I250-F254 PolarHBondContact O-N 3.46Å; C251-F254 PolarHBondContact O-N 3.23Å; E252-F254 VanDerWaalsContact C-N 3.28Å; E252-F254 PolarHBondContact O-N 3.02Å; F254-I256 VanDerWaalsContact C-N 3.33Å; F254-I256 HydrophobicContact CB-CD1 3.73Å; F254-I256 HydrophobicContact CB-CG1 4.01Å; F254-I256 PolarHBondContact O-N 3.38Å; F254-N389 HydrophobicContact CB-CB 4.45Å; F254-N389 PolarHBondContact O-ND2 2.83Å; F254-M392 HydrophobicContact CD1-CB 3.92Å; F254-M392 HydrophobicContact CE1-CB 3.53Å; F254-M392 HydrophobicContact CE1-CE 4.33Å; F254-M392 HydrophobicContact CE1-CG 4.45Å; F254-M392 HydrophobicContact CZ-CB 4.05Å; F254-A393 HydrophobicContact CB-CB 4.02Å; F254-A393 HydrophobicContact CD2-CB 3.58Å; F254-A393 HydrophobicContact CE2-CB 4.25Å; F254-A393 HydrophobicContact CG-CB 3.9Å; F254-K396 HydrophobicContact CE2-CB 4.18Å; F254-K396 HydrophobicContact CE2-CD 3.75Å; F254-K396 HydrophobicContact CZ-CD 4.3Å; F254-F421 AromaticContact CE1-CE2 3.73Å; F254-F421 HydrophobicContact CE1-CE2 3.73Å; F254-F421 HydrophobicContact CE1-CZ 4.3Å; F254-F421 AromaticContact CZ-CE2 4Å; F254-F421 HydrophobicContact CZ-CE2 4Å; F254-F421 HydrophobicContact CZ-CZ 4.34Å
255	N	83.4	Confident	75.7	Confident	146 Å²	146	76.1 Å²	76.1	78%	0.781	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	42.1	-177.7	-62.9	-62.5	0	0	0	113.8	C251 E252	C251-N255 PolarHBondContact O-N 3.37Å; C251-N255 VanDerWaalsContact O-N 3.11Å; E252-N255 PolarHBondContact O-N 3.25Å; E252-N255 VanDerWaalsContact O-N 3.12Å
256	I	79.2	Confident	76.1	Confident	25 Å²	25	76.6 Å²	76.6	13%	0.128	41%	0.411	C	S	.	.			trans	-95.3	127.4	-179.9	-60.7	162.3	0	0	0	109.5	C251 F254 Y390 A393	C251-I256 HydrophobicContact CB-CB 4.46Å; C251-I256 PolarHBondContact O-N 3.04Å; F254-I256 VanDerWaalsContact C-N 3.33Å; F254-I256 HydrophobicContact CB-CD1 3.73Å; F254-I256 HydrophobicContact CB-CG1 4.01Å; F254-I256 PolarHBondContact O-N 3.38Å; I256-Y390 HydrophobicContact CD1-CD2 4.41Å; I256-Y390 HydrophobicContact CG2-CD2 4.14Å; I256-A393 HydrophobicContact CD1-CB 3.16Å
257	K	73.4	Confident	76.5	Confident	157 Å²	157	76 Å²	76	68%	0.683	41%	0.408	S	S	*	.			trans	-77.2	126.1	168.7	-62.3	179.4	-178.8	178.3	0	108.6	S259 S260	K257-S259 PolarHBondContact O-N 2.98Å; K257-S260 WeakPolarHBondContact O-CB 3.28Å; K257-S260 PolarHBondContact O-N 3.32Å; K257-S260 PolarHBondContact O-OG 3.24Å
258	S	59.4	Low	76.9	Confident	103 Å²	103	75.2 Å²	75.2	72%	0.72	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-18	-178.6	-45	0	0	0	0	114.5	S260	S258-S260 VanDerWaalsContact C-N 3.34Å
259	S	58.6	Low	77.4	Confident	96 Å²	96	68.5 Å²	68.5	67%	0.671	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-2.3	174.6	54.1	0	0	0	0	115.1	K257 I261	K257-S259 PolarHBondContact O-N 2.98Å; S259-I261 WeakPolarHBondContact O-CD1 3.35Å; S259-I261 PolarHBondContact O-N 3.45Å; S259-I261 VanDerWaalsContact O-N 3.13Å
260	S	56.3	Low	77.9	Confident	58 Å²	58	65.4 Å²	65.4	41%	0.406	36%	0.357	S	S	.	.			trans	-80	96.3	178.1	-48.2	0	0	0	0	109	K257 S258 G262	K257-S260 WeakPolarHBondContact O-CB 3.28Å; K257-S260 PolarHBondContact O-N 3.32Å; K257-S260 PolarHBondContact O-OG 3.24Å; S258-S260 VanDerWaalsContact C-N 3.34Å; S260-G262 PolarHBondContact O-N 3.06Å
261	I	54.4	Low	78.3	Confident	130 Å²	130	65 Å²	65	67%	0.667	36%	0.355	S	S	*	.			trans	-60.7	99.6	174.3	-82.6	84.6	0	0	0	108.8	S259 H263	S259-I261 WeakPolarHBondContact O-CD1 3.35Å; S259-I261 PolarHBondContact O-N 3.45Å; S259-I261 VanDerWaalsContact O-N 3.13Å; I261-H263 VanDerWaalsContact CG1-CD2 3.47Å; I261-H263 WeakPolarHBondContact CG1-CD2 3.21Å; I261-H263 HydrophobicContact CG2-CB 4.34Å
262	G	57.6	Low	78.6	Confident	13 Å²	13	64.5 Å²	64.5	13%	0.134	35%	0.351	C	S	.	.			trans	-105.5	19.3	158.9	0	0	0	0	0	112	S260 S264 I265 Y390	S260-G262 PolarHBondContact O-N 3.06Å; G262-S264 PolarHBondContact O-N 3.18Å; G262-I265 PolarHBondContact O-N 2.73Å; G262-Y390 PolarHBondContact O-OH 2.8Å
263	H	62.3	Low	78.6	Confident	133 Å²	133	61.6 Å²	61.6	62%	0.616	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-15	-173.5	-69.5	-59.1	0	0	0	115.3	I261	I261-H263 VanDerWaalsContact CG1-CD2 3.47Å; I261-H263 WeakPolarHBondContact CG1-CD2 3.21Å; I261-H263 HydrophobicContact CG2-CB 4.34Å
264	S	76.6	Confident	78.3	Confident	76 Å²	76	60 Å²	60	53%	0.531	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-7.6	176.5	-54.1	0	0	0	0	113.8	G262	G262-S264 PolarHBondContact O-N 3.18Å
265	I	86.4	Confident	77.6	Confident	18 Å²	18	60.1 Å²	60.1	9%	0.092	33%	0.332	C	S	.	.			trans	-94	121.6	179.8	-51.7	-175.3	0	0	0	109.6	G262 T366 M367 Y390 V391 L394	G262-I265 PolarHBondContact O-N 2.73Å; I265-T366 CarbonylContact C-O 3.52Å; I265-T366 VanDerWaalsContact CA-O 3.3Å; I265-T366 WeakPolarHBondContact CA-O 3.28Å; I265-M367 HydrophobicContact CB-CB 4.38Å; I265-M367 HydrophobicContact CD1-CB 4.42Å; I265-M367 HydrophobicContact CG1-CB 3.85Å; I265-M367 HydrophobicContact CG2-CB 4.22Å; I265-M367 HydrophobicContact CG2-CE 4.18Å; I265-Y390 HydrophobicContact CB-CE1 4.37Å; I265-Y390 HydrophobicContact CD1-CD1 4.07Å; I265-Y390 HydrophobicContact CD1-CE1 4.25Å; I265-V391 HydrophobicContact CD1-CG2 3.93Å; I265-L394 HydrophobicContact CB-CD2 4.03Å; I265-L394 HydrophobicContact CG2-CD2 3.7Å; I265-L394 WeakPolarHBondContact O-CD2 3.44Å
266	K	89.4	Confident	76.7	Confident	123 Å²	123	56.8 Å²	56.8	54%	0.535	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	142	175.4	-63.1	-176.3	-179.9	-176.4	0	110.4	F365 T366	K266-F365 CarbonylContact O-C 3.53Å; K266-F365 WeakPolarHBondContact O-CA 3.3Å; K266-T366 PolarHBondContact N-O 3.42Å; K266-T366 PolarHBondContact O-N 2.91Å
267	I	92.7	Very high	75.6	Confident	9 Å²	9	56.1 Å²	56.1	5%	0.046	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131	173.5	-52.7	179.7	0	0	0	107.9	L240 L364 F365 L394 A395 V398	L240-I267 HydrophobicContact CD1-CG2 4Å; I267-L364 WeakPolarHBondContact CA-O 3.45Å; I267-F365 HydrophobicContact CD1-CD1 3.98Å; I267-F365 HydrophobicContact CD1-CE1 3.31Å; I267-F365 HydrophobicContact CD1-CZ 3.86Å; I267-F365 HydrophobicContact CG1-CD1 3.68Å; I267-F365 HydrophobicContact CG1-CE1 3.56Å; I267-F365 HydrophobicContact CG1-CG 4.47Å; I267-F365 HydrophobicContact CG1-CZ 4.25Å; I267-F365 HydrophobicContact CG2-CZ 4.45Å; I267-L394 HydrophobicContact CD1-CB 4.17Å; I267-L394 HydrophobicContact CD1-CD2 4.03Å; I267-L394 HydrophobicContact CD1-CG 3.66Å; I267-L394 HydrophobicContact CG1-CD2 3.99Å; I267-L394 HydrophobicContact CG1-CG 4.06Å; I267-A395 VanDerWaalsContact CD1-CA 3.45Å; I267-A395 HydrophobicContact CD1-CB 3.86Å; I267-V398 HydrophobicContact CB-CG2 4.35Å; I267-V398 HydrophobicContact CG2-CG1 4.39Å
268	S	93.3	Very high	74.5	Confident	42 Å²	42	51.5 Å²	51.5	29%	0.294	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	171.3	176.1	60.5	0	0	0	0	109.8	L364	S268-L364 PolarHBondContact N-O 3.09Å; S268-L364 PolarHBondContact O-N 3.09Å; S268-L364 WeakPolarHBondContact OG-CB 3.33Å; S268-L364 PolarHBondContact OG-O 3.08Å
269	G	94.6	Very high	74.1	Confident	6 Å²	6	50.1 Å²	50.1	6%	0.062	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	124.2	-147.9	177	0	0	0	0	0	112.7	E239 L240 I362	E239-G269 WeakPolarHBondContact CA-O 3.5Å; L240-G269 PolarHBondContact N-O 3.08Å; G269-I362 CarbonylContact C-O 3.58Å; G269-I362 VanDerWaalsContact CA-O 3.25Å; G269-I362 WeakPolarHBondContact CA-O 3.48Å
270	Y	94.7	Very high	73.3	Confident	15 Å²	15	49 Å²	49	6%	0.059	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	146.7	-167.9	-62.4	-90.5	0	0	0	113	L221 K222 I225 L237 V238 E239 I362	L221-Y270 HydrophobicContact CB-CE2 4.43Å; L221-Y270 HydrophobicContact CD2-CD2 3.98Å; L221-Y270 HydrophobicContact CD2-CE2 3.65Å; L221-Y270 HydrophobicContact CG-CD2 4.29Å; L221-Y270 HydrophobicContact CG-CE2 3.85Å; K222-Y270 WeakPolarHBondContact CE-OH 3.35Å; K222-Y270 HydrophobicContact CG-CE1 4.31Å; K222-Y270 WeakPolarHBondContact CG-OH 3.4Å; I225-Y270 HydrophobicContact CD1-CD2 3.45Å; I225-Y270 VanDerWaalsContact CD1-CD2 3.45Å; I225-Y270 HydrophobicContact CD1-CE2 3.85Å; I225-Y270 HydrophobicContact CD1-CG 3.97Å; L237-Y270 HydrophobicContact CB-CD1 4.1Å; L237-Y270 HydrophobicContact CB-CG 4.48Å; L237-Y270 HydrophobicContact CD1-CG 4.35Å; V238-Y270 VanDerWaalsContact O-CA 3.27Å; V238-Y270 WeakPolarHBondContact O-CA 3.16Å; E239-Y270 HydrophobicContact CB-CD1 4.09Å; E239-Y270 HydrophobicContact CB-CE1 3.67Å; E239-Y270 HydrophobicContact CG-CE1 3.87Å; Y270-I362 PolarHBondContact N-O 3.06Å; Y270-I362 PolarHBondContact O-N 2.82Å
271	V	93.5	Very high	72.2	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	142.9	170.4	58.4	0	0	0	0	109.6	L237 V238 L240 K273 V360 L361 T402 L403	L237-V271 CarbonylContact C-O 3.55Å; L237-V271 WeakPolarHBondContact CA-O 3.29Å; V238-V271 HydrophobicContact CB-CG1 4.47Å; V238-V271 PolarHBondContact N-O 3.14Å; V238-V271 PolarHBondContact O-N 3.35Å; L240-V271 HydrophobicContact CD2-CB 4.31Å; L240-V271 HydrophobicContact CD2-CG1 3.8Å; V271-K273 PolarHBondContact O-N 3.22Å; V271-V360 CarbonylContact C-O 3.59Å; V271-V360 WeakPolarHBondContact CA-O 3.41Å; V271-L361 HydrophobicContact CB-CD2 4.1Å; V271-L361 HydrophobicContact CG2-CD2 3.54Å; V271-T402 HydrophobicContact CG1-CG2 4.12Å; V271-L403 HydrophobicContact CG1-CD2 3.92Å; V271-L403 HydrophobicContact CG2-CD2 3.98Å
272	S	90.1	Very high	71.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	136.3	171.6	49.6	0	0	0	0	111.2	N236 W332 P359 V360	N236-S272 WeakPolarHBondContact O-CA 3.49Å; S272-W332 VanDerWaalsContact O-CD1 3.23Å; S272-W332 PolarHBondContact O-NE1 3.09Å; S272-W332 PolarHBondContact OG-NE1 3.18Å; S272-P359 VanDerWaalsContact OG-CA 3.3Å; S272-P359 WeakPolarHBondContact OG-CA 3.31Å; S272-P359 WeakPolarHBondContact OG-CB 3.46Å; S272-V360 PolarHBondContact N-O 3.12Å; S272-V360 PolarHBondContact OG-N 3.41Å
273	K	85	Confident	69.8	Low	86 Å²	86	52.3 Å²	52.3	37%	0.374	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-49.4	147.8	169.3	-69.8	169.6	-175.4	165.9	0	109.8	D235 N236 V238 V271 I302 W332	D235-K273 PolarHBondContact O-NZ 3.41Å; N236-K273 WeakPolarHBondContact O-CG 3.22Å; N236-K273 PolarHBondContact O-N 3.19Å; V238-K273 HydrophobicContact CG2-CB 4.25Å; V238-K273 HydrophobicContact CG2-CD 4.22Å; V238-K273 HydrophobicContact CG2-CG 3.21Å; V271-K273 PolarHBondContact O-N 3.22Å; K273-I302 WeakPolarHBondContact O-CG2 3.4Å; K273-W332 PolarHBondContact O-NE1 2.71Å
274	P	78.4	Confident	68.4	Low	11 Å²	11	53 Å²	53	7%	0.071	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-62.6	151.6	163.3	23.7	-26.8	0	0	0	109.5	D276 C335 S407	P274-D276 PolarHBondContact O-N 2.88Å; P274-C335 HydrophobicContact CB-CB 4.4Å; P274-S407 WeakPolarHBondContact CG-OG 3.47Å
275	P	70.2	Confident	66.1	Low	16 Å²	16	57.3 Å²	57.3	10%	0.104	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-60.1	120.7	177.3	-19.4	31.2	0	0	0	110.9	P277 I302 W332 S336 Y340	P275-P277 WeakPolarHBondContact O-CD 3.44Å; P275-I302 HydrophobicContact CB-CD1 4.35Å; P275-I302 HydrophobicContact CG-CB 4.47Å; P275-I302 HydrophobicContact CG-CG2 4.3Å; P275-W332 HydrophobicContact CG-CH2 4.35Å; P275-W332 HydrophobicContact CG-CZ2 4.23Å; P275-S336 WeakPolarHBondContact CD-OG 3.28Å; P275-Y340 HydrophobicContact CB-CE2 4.08Å; P275-Y340 HydrophobicContact CG-CE2 4.36Å
276	D	63.7	Low	63.3	Low	76 Å²	76	59.4 Å²	59.4	41%	0.406	35%	0.351	S	S	.	.			trans	-77.6	114.2	173.3	-180	-4.7	0	0	0	109.4	P274 S278 T279	P274-D276 PolarHBondContact O-N 2.88Å; D276-S278 PolarHBondContact O-N 2.79Å; D276-S278 VanDerWaalsContact OD1-CB 3.26Å; D276-S278 WeakPolarHBondContact OD1-CB 3.46Å; D276-S278 PolarHBondContact OD1-N 3.16Å; D276-S278 PolarHBondContact OD1-OG 3.02Å; D276-S278 PolarHBondContact OD2-OG 3.3Å; D276-T279 HydrophobicContact CB-CG2 4.35Å; D276-T279 PolarHBondContact O-N 2.98Å; D276-T279 PolarHBondContact O-OG1 3.15Å
277	P	56	Low	60.3	Low	11 Å²	11	62.2 Å²	62.2	7%	0.071	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-18.3	-177.2	6.4	6.3	0	0	0	112.8	P275 T279 N280 T281 A339 Y340 I343	P275-P277 WeakPolarHBondContact O-CD 3.44Å; P277-T279 PolarHBondContact O-N 2.71Å; P277-N280 PolarHBondContact O-N 2.75Å; P277-T281 PolarHBondContact O-N 3.22Å; P277-T281 PolarHBondContact O-OG1 2.93Å; P277-A339 HydrophobicContact CG-CB 4.45Å; P277-A339 VanDerWaalsContact CG-O 3.25Å; P277-A339 WeakPolarHBondContact CG-O 3.44Å; P277-Y340 HydrophobicContact CB-CD1 3.89Å; P277-Y340 HydrophobicContact CB-CE1 3.96Å; P277-Y340 HydrophobicContact CG-CD1 4.22Å; P277-I343 HydrophobicContact CB-CD1 3.75Å; P277-I343 HydrophobicContact CB-CG1 4.49Å; P277-I343 HydrophobicContact CG-CD1 3.59Å; P277-I343 HydrophobicContact CG-CG1 4.13Å
278	S	52	Low	57.2	Low	60 Å²	60	66.5 Å²	66.5	42%	0.42	40%	0.403	S	S	.	.	H	α-helix	trans	-63.3	-30.2	174.6	79	0	0	0	0	112.6	D276 N280 T281	D276-S278 PolarHBondContact O-N 2.79Å; D276-S278 VanDerWaalsContact OD1-CB 3.26Å; D276-S278 WeakPolarHBondContact OD1-CB 3.46Å; D276-S278 PolarHBondContact OD1-N 3.16Å; D276-S278 PolarHBondContact OD1-OG 3.02Å; D276-S278 PolarHBondContact OD2-OG 3.3Å; S278-N280 VanDerWaalsContact C-N 3.27Å; S278-N280 PolarHBondContact O-N 2.78Å; S278-T281 PolarHBondContact O-OG1 3.5Å
279	T	50.3	Low	54	Low	73 Å²	73	70 Å²	70	45%	0.448	43%	0.427	S	S	.	.	H	α-helix	trans	-75	-16	175.4	62.7	0	0	0	0	113.3	D276 P277	D276-T279 HydrophobicContact CB-CG2 4.35Å; D276-T279 PolarHBondContact O-N 2.98Å; D276-T279 PolarHBondContact O-OG1 3.15Å; P277-T279 PolarHBondContact O-N 2.71Å
280	N	42.7	Very low	51	Low	74 Å²	74	75.8 Å²	75.8	40%	0.396	46%	0.464	S	S	.	.	H	α-helix	trans	-93.2	-22.8	176.8	-79.2	-28.2	0	0	0	113.5	P277 S278 Y340	P277-N280 PolarHBondContact O-N 2.75Å; S278-N280 VanDerWaalsContact C-N 3.27Å; S278-N280 PolarHBondContact O-N 2.78Å; N280-Y340 PolarHBondContact ND2-OH 3.1Å
281	T	33.1	Very low	47.6	Very low	70 Å²	70	79.6 Å²	79.6	43%	0.429	49%	0.492	S	S	.	.	H	α-helix	trans	-94.1	-8.8	-170.8	51.1	0	0	0	0	115.8	P277 S278 S283 L284	P277-T281 PolarHBondContact O-N 3.22Å; P277-T281 PolarHBondContact O-OG1 2.93Å; S278-T281 PolarHBondContact O-OG1 3.5Å; T281-S283 PolarHBondContact O-N 3.22Å; T281-L284 PolarHBondContact O-N 3.2Å; T281-L284 VanDerWaalsContact O-N 3.07Å
282	S	29.6	Very low	44.8	Very low	102 Å²	102	85.7 Å²	85.7	71%	0.713	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	13.7	-178.3	48.7	0	0	0	0	115.7
283	S	31.5	Very low	41.8	Very low	98 Å²	98	90.9 Å²	90.9	69%	0.685	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117	6.8	166.7	73.8	0	0	0	0	115.3	T281	T281-S283 PolarHBondContact O-N 3.22Å
284	L	33.3	Very low	39.3	Very low	146 Å²	146	92.9 Å²	92.9	76%	0.764	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.4	-21.8	-177.5	-85.2	154.5	0	0	0	115.7	T281	T281-L284 PolarHBondContact O-N 3.2Å; T281-L284 VanDerWaalsContact O-N 3.07Å
285	I	27.8	Very low	37.1	Very low	168 Å²	168	97 Å²	97	86%	0.862	62%	0.617	S	S	*	*	S	Bend	trans	-147.5	104.6	-179.2	-47.8	176.6	0	0	0	109.7
286	G	27.3	Very low	35.1	Very low	62 Å²	62	103.3 Å²	103.3	64%	0.639	65%	0.65	S	S	*	*			trans	153.6	78.8	170.2	0	0	0	0	0	114.9	S288	G286-S288 PolarHBondContact O-N 2.99Å
287	N	27.1	Very low	33.7	Very low	182 Å²	182	107.8 Å²	107.8	97%	0.973	67%	0.666	S	S	*	*			trans	-67.4	77.2	162	-74.5	-19.6	0	0	0	110
288	S	26.6	Very low	32.6	Very low	98 Å²	98	117.5 Å²	117.5	69%	0.685	70%	0.701	S	S	*	*	S	Bend	trans	-145.6	120.3	165.4	55.5	0	0	0	0	109.1	G286	G286-S288 PolarHBondContact O-N 2.99Å
289	S	27.4	Very low	32.2	Very low	116 Å²	116	124.6 Å²	124.6	81%	0.811	72%	0.719	S	S	*	*			trans	-32.2	123.5	-172.4	-51.7	0	0	0	0	114.9	S291	S289-S291 PolarHBondContact O-N 3.36Å
290	P	30.7	Very low	31.9	Very low	128 Å²	128	123.4 Å²	123.4	83%	0.831	71%	0.712	S	S	*	*			trans	-75.2	115.9	-180	27.9	-29.9	0	0	0	110.5
291	S	23.8	Very low	32.4	Very low	94 Å²	94	121.9 Å²	121.9	66%	0.657	71%	0.707	S	S	*	*			trans	-63.2	141.3	163	-65	0	0	0	0	110	S289 S293	S289-S291 PolarHBondContact O-N 3.36Å; S291-S293 PolarHBondContact O-N 3.43Å
292	P	33.7	Very low	33.8	Very low	129 Å²	129	120 Å²	120	84%	0.838	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-0.6	-162.5	-15.8	30.6	0	0	0	116.3
293	S	28.3	Very low	35.5	Very low	109 Å²	109	115.8 Å²	115.8	76%	0.762	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-9.6	-172.6	56.5	0	0	0	0	115.2	S291	S291-S293 PolarHBondContact O-N 3.43Å
294	L	32.2	Very low	37.4	Very low	128 Å²	128	112.3 Å²	112.3	67%	0.67	64%	0.639	S	S	*	*	S	Bend	trans	-96.9	-14	-174.5	-148.3	67.7	0	0	0	114.8	N296	L294-N296 PolarHBondContact O-N 3.32Å
295	A	31.7	Very low	38.8	Very low	96 Å²	96	107 Å²	107	79%	0.793	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-12.8	-175.7	0	0	0	0	0	114.7
296	N	28.2	Very low	40.9	Very low	150 Å²	150	99.6 Å²	99.6	80%	0.802	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	8.7	-175.4	-94.2	-7.3	0	0	0	115.2	L294 R298	L294-N296 PolarHBondContact O-N 3.32Å; N296-R298 PolarHBondContact O-N 2.83Å
297	K	35.6	Very low	43.4	Very low	169 Å²	169	99.7 Å²	99.7	74%	0.735	57%	0.568	S	S	*	*			trans	-67.8	87.8	163.7	-91.3	-173.5	178.4	-179.8	0	108.2	R299	K297-R299 PolarHBondContact O-N 3.32Å; K297-R299 VanDerWaalsContact O-N 3.11Å
298	R	32.8	Very low	46	Very low	215 Å²	215	94.9 Å²	94.9	81%	0.811	54%	0.54	S	S	*	.			trans	-45.4	118.1	171.9	-74.6	178.4	170.4	172.6	-3.1	108	N296 T300	N296-R298 PolarHBondContact O-N 2.83Å; R298-T300 VanDerWaalsContact C-N 3.29Å; R298-T300 PolarHBondContact O-N 3.21Å
299	R	42.9	Very low	49	Very low	209 Å²	209	92.5 Å²	92.5	79%	0.789	52%	0.516	S	S	*	.			trans	-63.2	90	173.4	-75.9	179	142.3	171.5	-3.8	109.1	K297	K297-R299 PolarHBondContact O-N 3.32Å; K297-R299 VanDerWaalsContact O-N 3.11Å
300	T	43.3	Very low	52.1	Low	48 Å²	48	88.2 Å²	88.2	29%	0.294	48%	0.483	S	S	.	.			trans	-83.5	122.5	168.9	41.5	0	0	0	0	108.8	A232 N236 R298 I302	A232-T300 HydrophobicContact CB-CG2 3.54Å; N236-T300 VanDerWaalsContact ND2-CB 3.3Å; N236-T300 WeakPolarHBondContact ND2-CB 3.12Å; N236-T300 PolarHBondContact ND2-OG1 3.29Å; R298-T300 VanDerWaalsContact C-N 3.29Å; R298-T300 PolarHBondContact O-N 3.21Å; T300-I302 PolarHBondContact O-N 3.43Å
301	S	52.9	Low	55.2	Low	43 Å²	43	82.9 Å²	82.9	30%	0.301	45%	0.447	S	S	.	.			trans	-58.4	117.3	172.1	50.1	0	0	0	0	109.8
302	I	62.8	Low	58.5	Low	29 Å²	29	78.7 Å²	78.7	15%	0.149	42%	0.417	C	S	.	.	S	Bend	trans	-76.7	-30.1	-178.9	-64.3	168.5	0	0	0	111.1	K273 P275 T300 W332	K273-I302 WeakPolarHBondContact O-CG2 3.4Å; P275-I302 HydrophobicContact CB-CD1 4.35Å; P275-I302 HydrophobicContact CG-CB 4.47Å; P275-I302 HydrophobicContact CG-CG2 4.3Å; T300-I302 PolarHBondContact O-N 3.43Å; I302-W332 HydrophobicContact CG2-CZ2 4.24Å
303	G	64.8	Low	61.4	Low	15 Å²	15	72.6 Å²	72.6	16%	0.155	38%	0.377	C	S	.	.	S	Bend	trans	-119.1	147.9	172.8	0	0	0	0	0	112.2
304	Y	71.5	Confident	64.4	Low	24 Å²	24	67.7 Å²	67.7	9%	0.094	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-109.6	159.7	-175.5	-70	-82.7	0	0	0	112.2	Q233 S306 T357 F358 V360	Q233-Y304 PolarHBondContact OE1-OH 3.11Å; Y304-S306 VanDerWaalsContact C-N 3.28Å; Y304-T357 CarbonylContact O-C 3.58Å; Y304-T357 VanDerWaalsContact O-CA 3.26Å; Y304-T357 WeakPolarHBondContact O-CA 3.34Å; Y304-F358 PolarHBondContact N-O 3.27Å; Y304-F358 PolarHBondContact O-N 3.49Å; Y304-V360 HydrophobicContact CD2-CG2 3.74Å; Y304-V360 HydrophobicContact CE2-CG2 3.43Å; Y304-V360 VanDerWaalsContact CE2-CG2 3.43Å
305	S	63.9	Low	67	Low	36 Å²	36	64.9 Å²	64.9	25%	0.252	33%	0.328	S	S	.	.	S	Bend	trans	-74.5	-16.4	175.2	56.7	0	0	0	0	113.6	E723	S305-E723 PolarHBondContact OG-O 3.27Å
306	S	70.6	Confident	69.7	Low	11 Å²	11	61.4 Å²	61.4	8%	0.077	30%	0.301	C	S	.	.	S	Bend	trans	-129	158.4	-174.8	71.3	0	0	0	0	112.2	Y304 E308 F358	Y304-S306 VanDerWaalsContact C-N 3.28Å; S306-E308 PolarHBondContact O-N 2.82Å; S306-E308 WeakPolarHBondContact OG-CB 3.19Å; S306-E308 WeakPolarHBondContact OG-CG 3.46Å; S306-E308 PolarHBondContact OG-OE2 3.25Å; S306-E308 VanDerWaalsContact OG-OE2 3.12Å; S306-F358 WeakPolarHBondContact O-CB 3.14Å
307	S	81.6	Confident	72.6	Confident	64 Å²	64	55 Å²	55	45%	0.448	27%	0.266	S	S	.	.	S	Bend	trans	-79.4	8.4	172.3	54.2	0	0	0	0	113.6	R309 Q310	S307-R309 PolarHBondContact O-N 3.47Å; S307-Q310 WeakPolarHBondContact O-CB 3.3Å; S307-Q310 PolarHBondContact O-N 2.72Å
308	E	81.7	Confident	75.3	Confident	81 Å²	81	48 Å²	48	38%	0.379	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.1	-173.1	-68.6	178	143	0	0	114.2	S306 F311	S306-E308 PolarHBondContact O-N 2.82Å; S306-E308 WeakPolarHBondContact OG-CB 3.19Å; S306-E308 WeakPolarHBondContact OG-CG 3.46Å; S306-E308 PolarHBondContact OG-OE2 3.25Å; S306-E308 VanDerWaalsContact OG-OE2 3.12Å; E308-F311 VanDerWaalsContact O-CZ 3.26Å; E308-F311 WeakPolarHBondContact O-CZ 3.34Å
309	R	88.7	Confident	77.9	Confident	49 Å²	49	38 Å²	38	19%	0.185	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	22.4	178	-62.4	-177.3	-178.5	-118.2	-4.8	113.2	F229 S307 V360 L361	F229-R309 HydrophobicContact CE1-CG 4.47Å; S307-R309 PolarHBondContact O-N 3.47Å; R309-V360 HydrophobicContact CB-CB 4.42Å; R309-V360 HydrophobicContact CB-CG1 4.26Å; R309-V360 HydrophobicContact CB-CG2 3.95Å; R309-V360 WeakPolarHBondContact O-CA 2.95Å; R309-L361 PolarHBondContact O-N 2.73Å
310	Q	93	Very high	80.1	Confident	25 Å²	25	32 Å²	32	12%	0.117	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	109.4	177.7	-58.8	-176.1	-26.1	0	0	109.4	S307 T325 T329 P359 L361	S307-Q310 WeakPolarHBondContact O-CB 3.3Å; S307-Q310 PolarHBondContact O-N 2.72Å; Q310-T325 HydrophobicContact CB-CG2 4.43Å; Q310-T329 PolarHBondContact NE2-OG1 3.14Å; Q310-P359 VanDerWaalsContact CG-O 3.27Å; Q310-P359 WeakPolarHBondContact CG-O 3.46Å; Q310-P359 PolarHBondContact NE2-O 3.27Å; Q310-L361 CarbonylContact C-O 3.51Å; Q310-L361 WeakPolarHBondContact CA-O 3.48Å; Q310-L361 HydrophobicContact CB-CB 4.12Å; Q310-L361 HydrophobicContact CB-CD1 4.33Å; Q310-L361 HydrophobicContact CG-CB 4.09Å; Q310-L361 HydrophobicContact CG-CD1 3.92Å; Q310-L361 HydrophobicContact CG-CG 4.11Å
311	F	94.7	Very high	82.2	Confident	16 Å²	16	30.3 Å²	30.3	7%	0.07	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.6	-177.7	-57.9	-84.6	0	0	0	109.9	T187 A188 L191 F229 E308 Y313 L361 I362 L363	T187-F311 HydrophobicContact CG2-CE1 4.19Å; T187-F311 HydrophobicContact CG2-CE2 4.2Å; T187-F311 HydrophobicContact CG2-CZ 3.56Å; A188-F311 HydrophobicContact CB-CD1 3.57Å; A188-F311 HydrophobicContact CB-CE1 3.81Å; L191-F311 HydrophobicContact CD1-CD1 4.45Å; L191-F311 HydrophobicContact CD1-CD2 3.52Å; L191-F311 HydrophobicContact CD1-CE2 3.7Å; L191-F311 HydrophobicContact CD1-CG 3.94Å; L191-F311 HydrophobicContact CD1-CZ 4.23Å; F229-F311 HydrophobicContact CE2-CE2 4.28Å; F229-F311 HydrophobicContact CZ-CD2 4.48Å; F229-F311 AromaticContact CZ-CE2 3.64Å; F229-F311 HydrophobicContact CZ-CE2 3.64Å; F229-F311 HydrophobicContact CZ-CZ 4.28Å; E308-F311 VanDerWaalsContact O-CZ 3.26Å; E308-F311 WeakPolarHBondContact O-CZ 3.34Å; F311-Y313 HydrophobicContact CB-CE2 3.5Å; F311-Y313 VanDerWaalsContact CB-CE2 3.5Å; F311-Y313 WeakPolarHBondContact CB-OH 3.38Å; F311-L361 PolarHBondContact N-O 3.46Å; F311-I362 CarbonylContact O-C 3.53Å; F311-I362 WeakPolarHBondContact O-CA 3.23Å; F311-L363 PolarHBondContact O-N 2.84Å
312	I	94.2	Very high	83.9	Confident	7 Å²	7	32.9 Å²	32.9	4%	0.036	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.8	174.8	-57	179.5	0	0	0	108	C319 L321 I324 T325 L363 F365	I312-C319 PolarHBondContact O-N 3.01Å; I312-L321 HydrophobicContact CD1-CB 4.03Å; I312-L321 HydrophobicContact CG2-CD1 3.87Å; I312-L321 HydrophobicContact CG2-CG 4.38Å; I312-I324 HydrophobicContact CD1-CB 4.17Å; I312-I324 HydrophobicContact CD1-CG2 4.01Å; I312-T325 WeakPolarHBondContact CD1-OG1 3.2Å; I312-L363 CarbonylContact C-O 3.6Å; I312-L363 WeakPolarHBondContact CA-O 3.25Å; I312-L363 HydrophobicContact CD1-CD1 4.35Å; I312-L363 HydrophobicContact CG1-CB 4.3Å; I312-L363 HydrophobicContact CG1-CD1 4.29Å; I312-L363 HydrophobicContact CG1-CG 4.49Å; I312-L363 HydrophobicContact CG2-CB 4.42Å; I312-F365 HydrophobicContact CG2-CD2 3.87Å; I312-F365 HydrophobicContact CG2-CE2 3.71Å
313	Y	94.1	Very high	85.1	Confident	1 Å²	1	35.2 Å²	35.2	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	137.9	-178.5	-52.6	-88.2	0	0	0	109.8	A188 L191 V192 F311 R317 P318 I362 L363 L364 F365	A188-Y313 WeakPolarHBondContact CA-OH 3.45Å; A188-Y313 HydrophobicContact CB-CE1 4.32Å; A188-Y313 WeakPolarHBondContact O-CE1 3.43Å; A188-Y313 PolarHBondContact O-OH 3.06Å; L191-Y313 WeakPolarHBondContact CB-OH 3.34Å; V192-Y313 HydrophobicContact CB-CD1 3.54Å; V192-Y313 HydrophobicContact CB-CE1 3.41Å; V192-Y313 VanDerWaalsContact CB-CE1 3.41Å; V192-Y313 HydrophobicContact CB-CE2 4.42Å; V192-Y313 HydrophobicContact CB-CG 4.11Å; V192-Y313 HydrophobicContact CG1-CD1 3.74Å; V192-Y313 HydrophobicContact CG1-CE1 3.54Å; V192-Y313 HydrophobicContact CG2-CD1 3.61Å; V192-Y313 HydrophobicContact CG2-CD2 4.41Å; V192-Y313 HydrophobicContact CG2-CE1 4.03Å; V192-Y313 HydrophobicContact CG2-CG 3.82Å; F311-Y313 HydrophobicContact CB-CE2 3.5Å; F311-Y313 VanDerWaalsContact CB-CE2 3.5Å; F311-Y313 WeakPolarHBondContact CB-OH 3.38Å; Y313-R317 CarbonylContact C-O 3.58Å; Y313-R317 WeakPolarHBondContact CA-O 3.49Å; Y313-P318 HydrophobicContact CD1-CB 4.11Å; Y313-P318 HydrophobicContact CD1-CG 4.02Å; Y313-P318 HydrophobicContact CE1-CB 4.01Å; Y313-P318 HydrophobicContact CE1-CG 3.84Å; Y313-I362 HydrophobicContact CE2-CG2 4.06Å; Y313-L363 PolarHBondContact N-O 2.95Å; Y313-L364 HydrophobicContact CD2-CD1 4.04Å; Y313-L364 HydrophobicContact CD2-CG 4.05Å; Y313-L364 HydrophobicContact CG-CG 4.49Å; Y313-F365 WeakPolarHBondContact O-CB 3.3Å; Y313-F365 PolarHBondContact O-N 3.45Å
314	I	90.5	Very high	86.4	Confident	6 Å²	6	34.7 Å²	34.7	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	120.4	167.5	-70	168.2	0	0	0	107.5	G316 R317 L321 F365 M367 V372 L383 L385	I314-G316 PolarHBondContact O-N 3.2Å; I314-G316 VanDerWaalsContact O-N 3.15Å; I314-R317 PolarHBondContact N-O 3.23Å; I314-R317 WeakPolarHBondContact O-CB 3.36Å; I314-R317 PolarHBondContact O-N 3.15Å; I314-L321 HydrophobicContact CD1-CD1 3.79Å; I314-L321 HydrophobicContact CG1-CD1 4.48Å; I314-F365 WeakPolarHBondContact CA-O 3.43Å; I314-F365 HydrophobicContact CG1-CB 3.97Å; I314-F365 HydrophobicContact CG1-CG 4.45Å; I314-M367 HydrophobicContact CD1-CE 4.42Å; I314-M367 HydrophobicContact CG1-CE 4.23Å; I314-M367 HydrophobicContact CG2-CE 4.32Å; I314-M367 HydrophobicContact CG2-CG 4.06Å; I314-M367 HydrophobicContact CG2-SD 4.21Å; I314-V372 HydrophobicContact CG2-CG1 4.27Å; I314-V372 HydrophobicContact CG2-CG2 3.94Å; I314-L383 HydrophobicContact CB-CD1 4.2Å; I314-L383 HydrophobicContact CD1-CD1 3.53Å; I314-L383 HydrophobicContact CG1-CD1 4.36Å; I314-L385 HydrophobicContact CD1-CD2 3.69Å
315	N	88.6	Confident	87.3	Confident	69 Å²	69	35 Å²	35	37%	0.369	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	40.2	-178.8	-60.6	-23	0	0	0	112.8	R317 F365 T366 M367	N315-R317 VanDerWaalsContact C-N 3.3Å; N315-R317 PolarHBondContact O-N 3.41Å; N315-F365 PolarHBondContact N-O 3.43Å; N315-T366 WeakPolarHBondContact OD1-CA 3.45Å; N315-M367 VanDerWaalsContact CG-O 3.31Å; N315-M367 PolarHBondContact ND2-O 3.2Å; N315-M367 PolarHBondContact OD1-N 3.12Å; N315-M367 PolarHBondContact OD1-O 2.78Å
316	G	87.7	Confident	88.6	Confident	22 Å²	22	38.1 Å²	38.1	23%	0.227	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	-14.5	-178	0	0	0	0	0	115.4	Y100 V192 I314	Y100-G316 PolarHBondContact OH-O 2.69Å; Y100-G316 VanDerWaalsContact OH-O 3.09Å; V192-G316 VanDerWaalsContact CG1-O 3.28Å; V192-G316 WeakPolarHBondContact CG1-O 3.32Å; V192-G316 WeakPolarHBondContact CG2-O 3.26Å; I314-G316 PolarHBondContact O-N 3.2Å; I314-G316 VanDerWaalsContact O-N 3.15Å
317	R	88.5	Confident	89.5	Confident	16 Å²	16	37.6 Å²	37.6	6%	0.06	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	124	-179.3	-169.1	-175.5	-174.6	100.3	29.1	111.6	E40 Y100 Y313 I314 N315 C319 K380	E40-R317 IonicContact OE1-CZ 2.91Å; E40-R317 IonicContact OE1-NH2 2.69Å; E40-R317 PolarHBondContact OE1-NH2 2.96Å; E40-R317 VanDerWaalsContact OE1-NH2 3.15Å; E40-R317 IonicContact OE2-NH2 4Å; Y100-R317 HydrophobicContact CD1-CG 4.34Å; Y100-R317 HydrophobicContact CE1-CB 4.15Å; Y100-R317 HydrophobicContact CE1-CG 4.19Å; Y100-R317 PolarHBondContact O-NH1 3.05Å; Y313-R317 CarbonylContact C-O 3.58Å; Y313-R317 WeakPolarHBondContact CA-O 3.49Å; I314-R317 PolarHBondContact N-O 3.23Å; I314-R317 WeakPolarHBondContact O-CB 3.36Å; I314-R317 PolarHBondContact O-N 3.15Å; N315-R317 VanDerWaalsContact C-N 3.3Å; N315-R317 PolarHBondContact O-N 3.41Å; R317-C319 PolarHBondContact O-N 3.19Å; R317-K380 PolarHBondContact NE-O 2.97Å; R317-K380 VanDerWaalsContact NH2-CB 3.33Å; R317-K380 VanDerWaalsContact NH2-CD 3.28Å
318	P	92	Very high	90	Very high	21 Å²	21	34.6 Å²	34.6	14%	0.136	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	130.3	171	-16.5	27.4	0	0	0	111.2	A188 Y189 Y313	A188-P318 HydrophobicContact CB-CB 3.89Å; A188-P318 HydrophobicContact CB-CG 3.98Å; Y189-P318 HydrophobicContact CD1-CG 4.35Å; Y189-P318 HydrophobicContact CD2-CG 4.02Å; Y189-P318 HydrophobicContact CE1-CG 4.17Å; Y189-P318 HydrophobicContact CE2-CG 3.79Å; Y189-P318 HydrophobicContact CG-CG 4.29Å; Y313-P318 HydrophobicContact CD1-CB 4.11Å; Y313-P318 HydrophobicContact CD1-CG 4.02Å; Y313-P318 HydrophobicContact CE1-CB 4.01Å; Y313-P318 HydrophobicContact CE1-CG 3.84Å
319	C	88.3	Confident	90.5	Very high	6 Å²	6	31 Å²	31	4%	0.041	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	157	-178.8	61	0	0	0	0	112.1	I312 R317 R381 L383	I312-C319 PolarHBondContact O-N 3.01Å; R317-C319 PolarHBondContact O-N 3.19Å; C319-R381 WeakPolarHBondContact CA-O 3.45Å; C319-R381 WeakPolarHBondContact CB-O 3.22Å; C319-L383 HydrophobicContact CB-CD1 3.54Å; C319-L383 HydrophobicContact CB-CG 4.17Å
320	D	88.1	Confident	90.4	Very high	82 Å²	82	30.6 Å²	30.6	44%	0.439	16%	0.163	S	C	.	.			trans	-100.9	115.8	176.7	-65.1	-37.4	0	0	0	109.5	P322 R381	D320-P322 WeakPolarHBondContact O-CD 3.5Å; D320-R381 PolarHBondContact N-O 2.83Å; D320-R381 WeakPolarHBondContact OD2-CD 3.04Å; D320-R381 IonicContact OD2-NH1 3.83Å
321	L	89.1	Confident	90.1	Very high	14 Å²	14	29.5 Å²	29.5	7%	0.073	16%	0.158	C	C	.	.			trans	-121	81.9	175.2	-66.4	178.4	0	0	0	110.4	I312 I314 K323 I324 T325 L385	I312-L321 HydrophobicContact CD1-CB 4.03Å; I312-L321 HydrophobicContact CG2-CD1 3.87Å; I312-L321 HydrophobicContact CG2-CG 4.38Å; I314-L321 HydrophobicContact CD1-CD1 3.79Å; I314-L321 HydrophobicContact CG1-CD1 4.48Å; L321-K323 VanDerWaalsContact C-N 3.28Å; L321-K323 PolarHBondContact O-N 2.8Å; L321-K323 VanDerWaalsContact O-N 3.16Å; L321-I324 HydrophobicContact CB-CB 4.09Å; L321-I324 HydrophobicContact CB-CD1 4.2Å; L321-I324 HydrophobicContact CB-CG1 4.22Å; L321-I324 HydrophobicContact CD1-CD1 3.57Å; L321-I324 HydrophobicContact CD1-CG1 4.47Å; L321-I324 HydrophobicContact CG-CD1 4.49Å; L321-I324 PolarHBondContact O-N 3.11Å; L321-T325 PolarHBondContact O-N 2.84Å; L321-T325 PolarHBondContact O-OG1 2.78Å; L321-T325 VanDerWaalsContact O-OG1 3.12Å; L321-L385 HydrophobicContact CD1-CD1 4.14Å; L321-L385 HydrophobicContact CD2-CD1 4.14Å
322	P	87.4	Confident	89.8	Confident	97 Å²	97	28.8 Å²	28.8	63%	0.63	16%	0.155	S	C	*	.	H	α-helix	trans	-56	-37.6	-171.5	-27.2	34.9	0	0	0	114.4	D320 T325 R326	D320-P322 WeakPolarHBondContact O-CD 3.5Å; P322-T325 PolarHBondContact O-N 2.72Å; P322-R326 VanDerWaalsContact O-CB 3.27Å; P322-R326 WeakPolarHBondContact O-CB 3.31Å; P322-R326 PolarHBondContact O-N 3.49Å
323	K	88.6	Confident	89.4	Confident	77 Å²	77	31.2 Å²	31.2	34%	0.335	16%	0.163	S	C	.	.	H	α-helix	trans	-64.3	-42.6	178.5	-62.8	-170.9	-166.6	164.4	0	112	L321 L327 E388 M392	L321-K323 VanDerWaalsContact C-N 3.28Å; L321-K323 PolarHBondContact O-N 2.8Å; L321-K323 VanDerWaalsContact O-N 3.16Å; K323-L327 WeakPolarHBondContact O-CB 3.47Å; K323-L327 PolarHBondContact O-N 2.74Å; K323-E388 WeakPolarHBondContact CD-OE1 2.82Å; K323-E388 WeakPolarHBondContact CE-OE1 3.46Å; K323-E388 IonicContact NZ-OE1 2.68Å; K323-E388 PolarHBondContact NZ-OE1 3.41Å; K323-E388 IonicContact NZ-OE2 2.65Å; K323-E388 PolarHBondContact NZ-OE2 2.76Å; K323-M392 HydrophobicContact CB-CE 3.86Å; K323-M392 HydrophobicContact CB-SD 3.72Å
324	I	91.4	Very high	88.7	Confident	4 Å²	4	35.1 Å²	35.1	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-70.5	-44.2	177.7	-61.3	-175.2	0	0	0	110.4	I312 L321 R326 L327 A328 L363 F365 V391 M392 A395	I312-I324 HydrophobicContact CD1-CB 4.17Å; I312-I324 HydrophobicContact CD1-CG2 4.01Å; L321-I324 HydrophobicContact CB-CB 4.09Å; L321-I324 HydrophobicContact CB-CD1 4.2Å; L321-I324 HydrophobicContact CB-CG1 4.22Å; L321-I324 HydrophobicContact CD1-CD1 3.57Å; L321-I324 HydrophobicContact CD1-CG1 4.47Å; L321-I324 HydrophobicContact CG-CD1 4.49Å; L321-I324 PolarHBondContact O-N 3.11Å; I324-R326 VanDerWaalsContact C-N 3.31Å; I324-R326 PolarHBondContact O-N 3.34Å; I324-L327 PolarHBondContact O-N 3.2Å; I324-A328 WeakPolarHBondContact O-CB 2.8Å; I324-A328 PolarHBondContact O-N 3.02Å; I324-L363 HydrophobicContact CG2-CD1 3.76Å; I324-F365 HydrophobicContact CD1-CE1 4.06Å; I324-F365 HydrophobicContact CD1-CE2 4.22Å; I324-F365 HydrophobicContact CD1-CZ 3.58Å; I324-F365 HydrophobicContact CG2-CE2 4.46Å; I324-F365 HydrophobicContact CG2-CZ 4.08Å; I324-V391 HydrophobicContact CD1-CG1 3.86Å; I324-M392 HydrophobicContact CB-SD 4.48Å; I324-M392 HydrophobicContact CG1-SD 3.53Å; I324-M392 VanDerWaalsContact CG1-SD 3.53Å; I324-A395 HydrophobicContact CG2-CB 4.3Å
325	T	91.7	Very high	88.3	Confident	31 Å²	31	35.3 Å²	35.3	19%	0.19	18%	0.18	C	C	.	.	H	α-helix	trans	-59.3	-42.9	177	-54.1	0	0	0	0	111.7	Q310 I312 L321 P322 T329	Q310-T325 HydrophobicContact CB-CG2 4.43Å; I312-T325 WeakPolarHBondContact CD1-OG1 3.2Å; L321-T325 PolarHBondContact O-N 2.84Å; L321-T325 PolarHBondContact O-OG1 2.78Å; L321-T325 VanDerWaalsContact O-OG1 3.12Å; P322-T325 PolarHBondContact O-N 2.72Å; T325-T329 VanDerWaalsContact O-CB 3.3Å; T325-T329 WeakPolarHBondContact O-CB 3.19Å; T325-T329 PolarHBondContact O-N 3.39Å; T325-T329 PolarHBondContact O-OG1 3.25Å
326	R	89.8	Confident	87.8	Confident	102 Å²	102	32 Å²	32	39%	0.385	16%	0.162	S	C	.	.	H	α-helix	trans	-63.7	-51.9	175.7	-178.1	176.6	176	-175.9	-1.9	111.1	P322 I324 A328 T329 D330	P322-R326 VanDerWaalsContact O-CB 3.27Å; P322-R326 WeakPolarHBondContact O-CB 3.31Å; P322-R326 PolarHBondContact O-N 3.49Å; I324-R326 VanDerWaalsContact C-N 3.31Å; I324-R326 PolarHBondContact O-N 3.34Å; R326-A328 VanDerWaalsContact C-N 3.32Å; R326-A328 PolarHBondContact O-N 3.15Å; R326-T329 PolarHBondContact O-N 2.78Å; R326-D330 WeakPolarHBondContact CG-OD2 3.47Å; R326-D330 IonicContact NE-OD2 2.97Å; R326-D330 WeakPolarHBondContact O-CB 3.32Å; R326-D330 PolarHBondContact O-N 2.6Å
327	L	90.6	Very high	87.2	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-52.6	-49.5	176.6	171.9	66.7	0	0	0	111.5	K323 I324 D330 L331 M392 A395 K396 I419 F421	K323-L327 WeakPolarHBondContact O-CB 3.47Å; K323-L327 PolarHBondContact O-N 2.74Å; I324-L327 PolarHBondContact O-N 3.2Å; L327-D330 PolarHBondContact O-N 3.35Å; L327-L331 HydrophobicContact CD1-CD1 3.88Å; L327-L331 HydrophobicContact CD1-CG 4.13Å; L327-L331 HydrophobicContact CG-CD1 4.04Å; L327-L331 WeakPolarHBondContact O-CB 3.39Å; L327-L331 VanDerWaalsContact O-CG 3.27Å; L327-L331 WeakPolarHBondContact O-CG 3.38Å; L327-L331 PolarHBondContact O-N 3.08Å; L327-M392 HydrophobicContact CB-CE 4.17Å; L327-M392 HydrophobicContact CD2-CE 3.94Å; L327-A395 HydrophobicContact CD2-CB 4.41Å; L327-K396 HydrophobicContact CD1-CB 4.36Å; L327-K396 HydrophobicContact CD1-CD 4.3Å; L327-K396 HydrophobicContact CD1-CG 4.25Å; L327-K396 HydrophobicContact CD2-CB 3.94Å; L327-I419 HydrophobicContact CD1-CD1 3.91Å; L327-F421 HydrophobicContact CB-CE1 4.45Å; L327-F421 HydrophobicContact CB-CZ 4.43Å; L327-F421 HydrophobicContact CD1-CZ 4.27Å
328	A	92.2	Very high	86.3	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-65.3	-42	-179.2	0	0	0	0	0	112.8	I324 R326 W332 L361 L399	I324-A328 WeakPolarHBondContact O-CB 2.8Å; I324-A328 PolarHBondContact O-N 3.02Å; R326-A328 VanDerWaalsContact C-N 3.32Å; R326-A328 PolarHBondContact O-N 3.15Å; A328-W332 WeakPolarHBondContact O-CB 3.37Å; A328-W332 PolarHBondContact O-N 3.34Å; A328-L361 HydrophobicContact CB-CD1 3.64Å; A328-L361 HydrophobicContact CB-CD2 4.06Å; A328-L399 HydrophobicContact CB-CD1 3.55Å
329	T	90.5	Very high	85.2	Confident	5 Å²	5	39.1 Å²	39.1	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-64.1	-43.1	176.6	-60.8	0	0	0	0	111.2	Q310 T325 R326 W332 R333 F358	Q310-T329 PolarHBondContact NE2-OG1 3.14Å; T325-T329 VanDerWaalsContact O-CB 3.3Å; T325-T329 WeakPolarHBondContact O-CB 3.19Å; T325-T329 PolarHBondContact O-N 3.39Å; T325-T329 PolarHBondContact O-OG1 3.25Å; R326-T329 PolarHBondContact O-N 2.78Å; T329-W332 PolarHBondContact O-N 2.95Å; T329-R333 HydrophobicContact CG2-CG 4.49Å; T329-R333 WeakPolarHBondContact O-CB 3.47Å; T329-R333 VanDerWaalsContact O-CG 3.25Å; T329-R333 WeakPolarHBondContact O-CG 3.26Å; T329-R333 PolarHBondContact O-N 3.02Å; T329-F358 HydrophobicContact CG2-CD1 3.94Å; T329-F358 HydrophobicContact CG2-CE1 4.3Å
330	D	87.1	Confident	84.1	Confident	41 Å²	41	41.6 Å²	41.6	22%	0.219	20%	0.197	C	C	.	.	H	α-helix	trans	-67.9	-43.8	-180	-72.2	-19.4	0	0	0	111.7	R326 L327 W332 R333 R334	R326-D330 WeakPolarHBondContact CG-OD2 3.47Å; R326-D330 IonicContact NE-OD2 2.97Å; R326-D330 WeakPolarHBondContact O-CB 3.32Å; R326-D330 PolarHBondContact O-N 2.6Å; L327-D330 PolarHBondContact O-N 3.35Å; D330-W332 PolarHBondContact O-N 3.08Å; D330-R333 PolarHBondContact O-N 3.41Å; D330-R334 VanDerWaalsContact O-CG 3.31Å; D330-R334 WeakPolarHBondContact O-CG 3.3Å; D330-R334 PolarHBondContact O-N 2.98Å
331	L	87.4	Confident	82.8	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-60.1	-45	174.1	-72.1	172.7	0	0	0	111.7	L327 R334 C335 K396 L399 V400 L403 L414	L327-L331 HydrophobicContact CD1-CD1 3.88Å; L327-L331 HydrophobicContact CD1-CG 4.13Å; L327-L331 HydrophobicContact CG-CD1 4.04Å; L327-L331 WeakPolarHBondContact O-CB 3.39Å; L327-L331 VanDerWaalsContact O-CG 3.27Å; L327-L331 WeakPolarHBondContact O-CG 3.38Å; L327-L331 PolarHBondContact O-N 3.08Å; L331-R334 PolarHBondContact O-N 2.88Å; L331-C335 PolarHBondContact O-N 3.15Å; L331-C335 PolarHBondContact O-SG 3.41Å; L331-K396 HydrophobicContact CD1-CG 4.12Å; L331-L399 HydrophobicContact CD1-CB 3.9Å; L331-L399 HydrophobicContact CD1-CD1 4.21Å; L331-V400 HydrophobicContact CD1-CG2 4.3Å; L331-V400 HydrophobicContact CD2-CG2 4.06Å; L331-L403 HydrophobicContact CB-CD1 4.34Å; L331-L414 HydrophobicContact CD2-CD2 4.23Å
332	W	89.1	Confident	81.3	Confident	1 Å²	1	43.7 Å²	43.7	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-64.1	-41	177.5	-179.1	90.2	0	0	0	112.3	S272 K273 P275 I302 A328 T329 D330 C335 S336 P359 L403	S272-W332 VanDerWaalsContact O-CD1 3.23Å; S272-W332 PolarHBondContact O-NE1 3.09Å; S272-W332 PolarHBondContact OG-NE1 3.18Å; K273-W332 PolarHBondContact O-NE1 2.71Å; P275-W332 HydrophobicContact CG-CH2 4.35Å; P275-W332 HydrophobicContact CG-CZ2 4.23Å; I302-W332 HydrophobicContact CG2-CZ2 4.24Å; A328-W332 WeakPolarHBondContact O-CB 3.37Å; A328-W332 PolarHBondContact O-N 3.34Å; T329-W332 PolarHBondContact O-N 2.95Å; D330-W332 PolarHBondContact O-N 3.08Å; W332-C335 PolarHBondContact O-N 3.02Å; W332-S336 WeakPolarHBondContact O-CB 3.22Å; W332-S336 PolarHBondContact O-N 3.21Å; W332-S336 PolarHBondContact O-OG 3.42Å; W332-P359 HydrophobicContact CB-CB 4.16Å; W332-P359 HydrophobicContact CB-CG 3.91Å; W332-P359 HydrophobicContact CD2-CB 3.62Å; W332-P359 HydrophobicContact CD2-CG 3.98Å; W332-P359 HydrophobicContact CE3-CB 4.17Å; W332-P359 HydrophobicContact CE3-CG 4.2Å; W332-P359 HydrophobicContact CG-CB 3.59Å; W332-P359 HydrophobicContact CG-CG 3.85Å; W332-L403 HydrophobicContact CB-CD1 4.32Å
333	R	85	Confident	79.6	Confident	57 Å²	57	43.1 Å²	43.1	22%	0.215	21%	0.21	C	C	.	.	H	α-helix	trans	-63.8	-39.8	175	-75.4	174	179.7	177.2	-1.2	112	T329 D330 S336 K337 T355 T357	T329-R333 HydrophobicContact CG2-CG 4.49Å; T329-R333 WeakPolarHBondContact O-CB 3.47Å; T329-R333 VanDerWaalsContact O-CG 3.25Å; T329-R333 WeakPolarHBondContact O-CG 3.26Å; T329-R333 PolarHBondContact O-N 3.02Å; D330-R333 PolarHBondContact O-N 3.41Å; R333-S336 PolarHBondContact O-N 3.11Å; R333-K337 WeakPolarHBondContact O-CB 2.94Å; R333-K337 PolarHBondContact O-N 3.05Å; R333-T355 PolarHBondContact NE-O 2.91Å; R333-T355 PolarHBondContact NH1-O 2.94Å; R333-T355 VanDerWaalsContact NH1-O 3.12Å; R333-T357 PolarHBondContact NE-O 3.37Å; R333-T357 PolarHBondContact NH2-O 2.62Å
334	R	79.8	Confident	77.6	Confident	84 Å²	84	41.6 Å²	41.6	32%	0.317	21%	0.208	S	C	.	.	H	α-helix	trans	-63	-50.4	174.8	-73.4	177.3	-170.9	-162.8	1.6	111.4	D330 L331 S336 K337 E338	D330-R334 VanDerWaalsContact O-CG 3.31Å; D330-R334 WeakPolarHBondContact O-CG 3.3Å; D330-R334 PolarHBondContact O-N 2.98Å; L331-R334 PolarHBondContact O-N 2.88Å; R334-S336 VanDerWaalsContact C-N 3.26Å; R334-S336 PolarHBondContact O-N 3.5Å; R334-K337 WeakPolarHBondContact O-CB 3.34Å; R334-K337 PolarHBondContact O-N 3.45Å; R334-K337 VanDerWaalsContact O-N 3.1Å; R334-E338 PolarHBondContact O-N 3.07Å
335	C	81.2	Confident	75.4	Confident	9 Å²	9	46.2 Å²	46.2	6%	0.061	24%	0.24	C	C	.	.	H	α-helix	trans	-58.9	-41.1	176.4	-62.2	0	0	0	0	111.4	P274 L331 W332 E338 A339 F404	P274-C335 HydrophobicContact CB-CB 4.4Å; L331-C335 PolarHBondContact O-N 3.15Å; L331-C335 PolarHBondContact O-SG 3.41Å; W332-C335 PolarHBondContact O-N 3.02Å; C335-E338 PolarHBondContact O-N 3.34Å; C335-A339 WeakPolarHBondContact O-CB 3.44Å; C335-A339 PolarHBondContact O-N 3.06Å; C335-F404 VanDerWaalsContact SG-CE2 3.59Å
336	S	77.8	Confident	73.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.6	-44.8	175.4	-59.3	0	0	0	0	111.8	P275 W332 R333 R334 E338 A339 Y340	P275-S336 WeakPolarHBondContact CD-OG 3.28Å; W332-S336 WeakPolarHBondContact O-CB 3.22Å; W332-S336 PolarHBondContact O-N 3.21Å; W332-S336 PolarHBondContact O-OG 3.42Å; R333-S336 PolarHBondContact O-N 3.11Å; R334-S336 VanDerWaalsContact C-N 3.26Å; R334-S336 PolarHBondContact O-N 3.5Å; S336-E338 VanDerWaalsContact C-N 3.35Å; S336-A339 PolarHBondContact O-N 3.49Å; S336-Y340 WeakPolarHBondContact O-CD2 3.45Å; S336-Y340 PolarHBondContact O-N 3.36Å
337	K	74.7	Confident	70.9	Confident	116 Å²	116	50.5 Å²	50.5	50%	0.504	29%	0.286	S	S	.	.	H	α-helix	trans	-60.4	-44.9	177.4	-174.8	-177.4	175.6	-170.5	0	111.3	R333 R334 Y340 S341 P350	R333-K337 WeakPolarHBondContact O-CB 2.94Å; R333-K337 PolarHBondContact O-N 3.05Å; R334-K337 WeakPolarHBondContact O-CB 3.34Å; R334-K337 PolarHBondContact O-N 3.45Å; R334-K337 VanDerWaalsContact O-N 3.1Å; K337-Y340 PolarHBondContact O-N 2.86Å; K337-S341 PolarHBondContact O-N 3.12Å; K337-P350 HydrophobicContact CD-CG 4.32Å; K337-P350 HydrophobicContact CG-CB 4.16Å; K337-P350 HydrophobicContact CG-CG 3.93Å
338	E	71	Confident	68.6	Low	82 Å²	82	53.6 Å²	53.6	38%	0.383	31%	0.308	S	S	.	.	H	α-helix	trans	-65.7	-42.2	-179.4	-160.2	59.6	-152.5	0	0	111.9	R334 C335 S336 Y340 S341 S342 M409	R334-E338 PolarHBondContact O-N 3.07Å; C335-E338 PolarHBondContact O-N 3.34Å; S336-E338 VanDerWaalsContact C-N 3.35Å; E338-Y340 VanDerWaalsContact C-N 3.29Å; E338-Y340 PolarHBondContact O-N 3.23Å; E338-S341 WeakPolarHBondContact O-CB 3.27Å; E338-S341 PolarHBondContact O-N 3.44Å; E338-S342 PolarHBondContact O-N 3.18Å; E338-M409 HydrophobicContact CB-SD 4.28Å; E338-M409 HydrophobicContact CG-CE 4Å; E338-M409 HydrophobicContact CG-SD 3.85Å
339	A	68.4	Low	66.2	Low	11 Å²	11	61.2 Å²	61.2	9%	0.091	35%	0.348	C	S	.	.	H	α-helix	trans	-55.8	-42.9	173.9	0	0	0	0	0	112	P277 C335 S336 S342	P277-A339 HydrophobicContact CG-CB 4.45Å; P277-A339 VanDerWaalsContact CG-O 3.25Å; P277-A339 WeakPolarHBondContact CG-O 3.44Å; C335-A339 WeakPolarHBondContact O-CB 3.44Å; C335-A339 PolarHBondContact O-N 3.06Å; S336-A339 PolarHBondContact O-N 3.49Å; A339-S342 PolarHBondContact O-OG 3.1Å
340	Y	64.6	Low	64	Low	57 Å²	57	63.2 Å²	63.2	22%	0.224	36%	0.361	C	S	.	.	H	α-helix	trans	-68.6	-35.8	175.1	-79.7	-73	0	0	0	113.6	P275 P277 N280 S336 K337 E338 T354	P275-Y340 HydrophobicContact CB-CE2 4.08Å; P275-Y340 HydrophobicContact CG-CE2 4.36Å; P277-Y340 HydrophobicContact CB-CD1 3.89Å; P277-Y340 HydrophobicContact CB-CE1 3.96Å; P277-Y340 HydrophobicContact CG-CD1 4.22Å; N280-Y340 PolarHBondContact ND2-OH 3.1Å; S336-Y340 WeakPolarHBondContact O-CD2 3.45Å; S336-Y340 PolarHBondContact O-N 3.36Å; K337-Y340 PolarHBondContact O-N 2.86Å; E338-Y340 VanDerWaalsContact C-N 3.29Å; E338-Y340 PolarHBondContact O-N 3.23Å; Y340-T354 HydrophobicContact CD2-CG2 3.81Å; Y340-T354 HydrophobicContact CE2-CG2 3.5Å; Y340-T354 VanDerWaalsContact CE2-CG2 3.5Å
341	S	62.1	Low	61.9	Low	63 Å²	63	66.1 Å²	66.1	44%	0.441	38%	0.376	S	S	.	.	H	α-helix	trans	-65.3	-40.3	178.5	-168.6	0	0	0	0	111.7	K337 E338 I343 T344	K337-S341 PolarHBondContact O-N 3.12Å; E338-S341 WeakPolarHBondContact O-CB 3.27Å; E338-S341 PolarHBondContact O-N 3.44Å; S341-I343 PolarHBondContact O-N 3.07Å; S341-I343 VanDerWaalsContact O-N 3.16Å; S341-T344 PolarHBondContact O-N 3.3Å
342	S	56.7	Low	59.9	Low	77 Å²	77	75.9 Å²	75.9	54%	0.538	41%	0.413	S	S	.	.	H	α-helix	trans	-61	-26.5	-177.1	70.7	0	0	0	0	114.7	E338 A339	E338-S342 PolarHBondContact O-N 3.18Å; A339-S342 PolarHBondContact O-OG 3.1Å
343	I	50.9	Low	57.9	Low	86 Å²	86	76.9 Å²	76.9	44%	0.441	42%	0.42	S	S	.	.	H	α-helix	trans	-94.2	-31.8	-176.9	-64.1	-165.3	0	0	0	112.5	P277 S341	P277-I343 HydrophobicContact CB-CD1 3.75Å; P277-I343 HydrophobicContact CB-CG1 4.49Å; P277-I343 HydrophobicContact CG-CD1 3.59Å; P277-I343 HydrophobicContact CG-CG1 4.13Å; S341-I343 PolarHBondContact O-N 3.07Å; S341-I343 VanDerWaalsContact O-N 3.16Å
344	T	47.3	Very low	56.4	Low	45 Å²	45	74.5 Å²	74.5	28%	0.276	41%	0.412	S	S	.	.	S	Bend	trans	-97	107.5	177.1	-45	0	0	0	0	107.5	S341 G346 I347 S348	S341-T344 PolarHBondContact O-N 3.3Å; T344-G346 PolarHBondContact O-N 2.92Å; T344-I347 HydrophobicContact CG2-CB 4.28Å; T344-S348 VanDerWaalsContact CB-OG 3.3Å; T344-S348 WeakPolarHBondContact CB-OG 3.18Å; T344-S348 VanDerWaalsContact CG2-N 3.34Å; T344-S348 VanDerWaalsContact CG2-OG 3.31Å; T344-S348 WeakPolarHBondContact CG2-OG 3.34Å; T344-S348 PolarHBondContact OG1-OG 3.2Å
345	S	46.2	Very low	55.4	Low	101 Å²	101	74.4 Å²	74.4	71%	0.706	42%	0.421	S	S	*	.			trans	-52.8	76.6	175.6	54.3	0	0	0	0	112.4	I347	S345-I347 VanDerWaalsContact O-CG1 3.29Å; S345-I347 WeakPolarHBondContact O-CG1 3.34Å; S345-I347 PolarHBondContact O-N 3.06Å
346	G	44.7	Very low	54.7	Low	78 Å²	78	77.3 Å²	77.3	80%	0.804	44%	0.441	S	S	*	.	S	Bend	trans	61.5	-10.1	-178.8	0	0	0	0	0	118.3	T344	T344-G346 PolarHBondContact O-N 2.92Å
347	I	42.5	Very low	54.7	Low	144 Å²	144	77.8 Å²	77.8	74%	0.738	44%	0.444	S	S	*	.			trans	-90.5	-23	-161.3	-68	156.5	0	0	0	114.9	T344 S345	T344-I347 HydrophobicContact CG2-CB 4.28Å; S345-I347 VanDerWaalsContact O-CG1 3.29Å; S345-I347 WeakPolarHBondContact O-CG1 3.34Å; S345-I347 PolarHBondContact O-N 3.06Å
348	S	40.4	Very low	55.1	Low	65 Å²	65	74.8 Å²	74.8	46%	0.455	43%	0.431	S	S	.	.	S	Bend	trans	-108.7	125	178.8	73.4	0	0	0	0	112.6	T344	T344-S348 VanDerWaalsContact CB-OG 3.3Å; T344-S348 WeakPolarHBondContact CB-OG 3.18Å; T344-S348 VanDerWaalsContact CG2-N 3.34Å; T344-S348 VanDerWaalsContact CG2-OG 3.31Å; T344-S348 WeakPolarHBondContact CG2-OG 3.34Å; T344-S348 PolarHBondContact OG1-OG 3.2Å
349	L	43.5	Very low	56	Low	162 Å²	162	71 Å²	71	85%	0.848	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-57	137.7	163.3	-77.5	109.4	0	0	0	109.8	N351	L349-N351 PolarHBondContact O-N 3.29Å
350	P	43.1	Very low	57.1	Low	46 Å²	46	70.4 Å²	70.4	30%	0.299	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-55.2	132.4	170.7	22.2	-31.2	0	0	0	109.1	K337 R352	K337-P350 HydrophobicContact CD-CG 4.32Å; K337-P350 HydrophobicContact CG-CB 4.16Å; K337-P350 HydrophobicContact CG-CG 3.93Å; P350-R352 PolarHBondContact O-N 3.38Å
351	N	44	Very low	58.5	Low	103 Å²	103	67.8 Å²	67.8	55%	0.551	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-52.2	126.1	178.4	-178.1	-13.6	0	0	0	109	L349 S353 T354	L349-N351 PolarHBondContact O-N 3.29Å; N351-S353 PolarHBondContact O-N 3.4Å; N351-S353 WeakPolarHBondContact OD1-CB 3.49Å; N351-S353 PolarHBondContact OD1-N 3.12Å; N351-S353 VanDerWaalsContact OD1-N 3.17Å; N351-T354 PolarHBondContact O-N 3.39Å; N351-T354 PolarHBondContact O-OG1 3.09Å; N351-T354 VanDerWaalsContact O-OG1 3.05Å
352	R	45.6	Very low	60.1	Low	206 Å²	206	64.8 Å²	64.8	78%	0.777	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.2	-25.3	177.1	-174.2	-173.9	-84	-146.1	-2.2	112.7	P350 T354 T355	P350-R352 PolarHBondContact O-N 3.38Å; R352-T354 VanDerWaalsContact C-N 3.34Å; R352-T354 PolarHBondContact O-N 3.4Å; R352-T355 PolarHBondContact O-N 3.5Å; R352-T355 PolarHBondContact O-OG1 2.85Å
353	S	47	Very low	62	Low	22 Å²	22	61.2 Å²	61.2	15%	0.154	35%	0.353	C	S	.	.	H	α-helix	trans	-67.7	-20.8	176.8	98.5	0	0	0	0	115.9	N351 T355 S356 T357 R720	N351-S353 PolarHBondContact O-N 3.4Å; N351-S353 WeakPolarHBondContact OD1-CB 3.49Å; N351-S353 PolarHBondContact OD1-N 3.12Å; N351-S353 VanDerWaalsContact OD1-N 3.17Å; S353-T355 VanDerWaalsContact C-N 3.33Å; S353-S356 PolarHBondContact O-OG 2.83Å; S353-T357 VanDerWaalsContact O-CG2 3.27Å; S353-T357 WeakPolarHBondContact O-CG2 3.4Å; S353-T357 PolarHBondContact O-OG1 3.12Å; S353-R720 VanDerWaalsContact CB-CZ 3.43Å; S353-R720 PolarHBondContact O-NH2 3.28Å; S353-R720 VanDerWaalsContact O-NH2 3.17Å; S353-R720 PolarHBondContact OG-NH1 2.81Å; S353-R720 PolarHBondContact OG-NH2 3.3Å
354	T	52.3	Low	64	Low	8 Å²	8	58.4 Å²	58.4	5%	0.049	34%	0.338	C	S	.	.	H	α-helix	trans	-75.8	-25.3	176.9	58.7	0	0	0	0	111.9	Y340 N351 R352 T357	Y340-T354 HydrophobicContact CD2-CG2 3.81Å; Y340-T354 HydrophobicContact CE2-CG2 3.5Å; Y340-T354 VanDerWaalsContact CE2-CG2 3.5Å; N351-T354 PolarHBondContact O-N 3.39Å; N351-T354 PolarHBondContact O-OG1 3.09Å; N351-T354 VanDerWaalsContact O-OG1 3.05Å; R352-T354 VanDerWaalsContact C-N 3.34Å; R352-T354 PolarHBondContact O-N 3.4Å; T354-T357 PolarHBondContact O-OG1 2.87Å
355	T	58.7	Low	66.2	Low	81 Å²	81	56.3 Å²	56.3	50%	0.497	33%	0.325	S	S	.	.	H	α-helix	trans	-82	-17.1	178.6	63.2	0	0	0	0	112.8	R333 R352 S353	R333-T355 PolarHBondContact NE-O 2.91Å; R333-T355 PolarHBondContact NH1-O 2.94Å; R333-T355 VanDerWaalsContact NH1-O 3.12Å; R352-T355 PolarHBondContact O-N 3.5Å; R352-T355 PolarHBondContact O-OG1 2.85Å; S353-T355 VanDerWaalsContact C-N 3.33Å
356	S	66.3	Low	68.3	Low	70 Å²	70	55.1 Å²	55.1	49%	0.49	31%	0.314	S	S	.	.	H	α-helix	trans	-102.9	-9.1	179.9	73.7	0	0	0	0	114.6	S353	S353-S356 PolarHBondContact O-OG 2.83Å
357	T	78.6	Confident	70.3	Confident	10 Å²	10	51.9 Å²	51.9	6%	0.061	28%	0.278	C	S	.	.			trans	-82.3	155.5	-179.6	44.7	0	0	0	0	113.1	Y304 R333 S353 T354 R720	Y304-T357 CarbonylContact O-C 3.58Å; Y304-T357 VanDerWaalsContact O-CA 3.26Å; Y304-T357 WeakPolarHBondContact O-CA 3.34Å; R333-T357 PolarHBondContact NE-O 3.37Å; R333-T357 PolarHBondContact NH2-O 2.62Å; S353-T357 VanDerWaalsContact O-CG2 3.27Å; S353-T357 WeakPolarHBondContact O-CG2 3.4Å; S353-T357 PolarHBondContact O-OG1 3.12Å; T354-T357 PolarHBondContact O-OG1 2.87Å; T357-R720 VanDerWaalsContact CG2-NH2 3.28Å
358	F	83.3	Confident	72.3	Confident	54 Å²	54	47 Å²	47	24%	0.237	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-114.5	137.2	177.2	-66.5	-92	0	0	0	110.7	Y304 S306 T329	Y304-F358 PolarHBondContact N-O 3.27Å; Y304-F358 PolarHBondContact O-N 3.49Å; S306-F358 WeakPolarHBondContact O-CB 3.14Å; T329-F358 HydrophobicContact CG2-CD1 3.94Å; T329-F358 HydrophobicContact CG2-CE1 4.3Å
359	P	90	Very high	74	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	25%	0.248	C	C	.	.			trans	-71.3	158.7	171.1	26.2	-32.3	0	0	0	112.2	S272 Q310 W332 L361	S272-P359 VanDerWaalsContact OG-CA 3.3Å; S272-P359 WeakPolarHBondContact OG-CA 3.31Å; S272-P359 WeakPolarHBondContact OG-CB 3.46Å; Q310-P359 VanDerWaalsContact CG-O 3.27Å; Q310-P359 WeakPolarHBondContact CG-O 3.46Å; Q310-P359 PolarHBondContact NE2-O 3.27Å; W332-P359 HydrophobicContact CB-CB 4.16Å; W332-P359 HydrophobicContact CB-CG 3.91Å; W332-P359 HydrophobicContact CD2-CB 3.62Å; W332-P359 HydrophobicContact CD2-CG 3.98Å; W332-P359 HydrophobicContact CE3-CB 4.17Å; W332-P359 HydrophobicContact CE3-CG 4.2Å; W332-P359 HydrophobicContact CG-CB 3.59Å; W332-P359 HydrophobicContact CG-CG 3.85Å; P359-L361 HydrophobicContact CB-CD2 4.2Å; P359-L361 HydrophobicContact CB-CG 4.17Å; P359-L361 HydrophobicContact CG-CD1 3.93Å; P359-L361 HydrophobicContact CG-CD2 4Å; P359-L361 HydrophobicContact CG-CG 3.81Å
360	V	91.5	Very high	75.4	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.241	C	C	.	.			trans	-74.9	125.3	158.1	-179.2	0	0	0	0	107.7	L237 V271 S272 Y304 R309	L237-V360 HydrophobicContact CD2-CB 3.86Å; L237-V360 HydrophobicContact CD2-CG1 3.81Å; V271-V360 CarbonylContact C-O 3.59Å; V271-V360 WeakPolarHBondContact CA-O 3.41Å; S272-V360 PolarHBondContact N-O 3.12Å; S272-V360 PolarHBondContact OG-N 3.41Å; Y304-V360 HydrophobicContact CD2-CG2 3.74Å; Y304-V360 HydrophobicContact CE2-CG2 3.43Å; Y304-V360 VanDerWaalsContact CE2-CG2 3.43Å; R309-V360 HydrophobicContact CB-CB 4.42Å; R309-V360 HydrophobicContact CB-CG1 4.26Å; R309-V360 HydrophobicContact CB-CG2 3.95Å; R309-V360 WeakPolarHBondContact O-CA 2.95Å
361	L	93.8	Very high	76.9	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	129.4	-179.6	-63.9	172.4	0	0	0	108.9	V271 R309 Q310 F311 A328 P359	V271-L361 HydrophobicContact CB-CD2 4.1Å; V271-L361 HydrophobicContact CG2-CD2 3.54Å; R309-L361 PolarHBondContact O-N 2.73Å; Q310-L361 CarbonylContact C-O 3.51Å; Q310-L361 WeakPolarHBondContact CA-O 3.48Å; Q310-L361 HydrophobicContact CB-CB 4.12Å; Q310-L361 HydrophobicContact CB-CD1 4.33Å; Q310-L361 HydrophobicContact CG-CB 4.09Å; Q310-L361 HydrophobicContact CG-CD1 3.92Å; Q310-L361 HydrophobicContact CG-CG 4.11Å; F311-L361 PolarHBondContact N-O 3.46Å; A328-L361 HydrophobicContact CB-CD1 3.64Å; A328-L361 HydrophobicContact CB-CD2 4.06Å; P359-L361 HydrophobicContact CB-CD2 4.2Å; P359-L361 HydrophobicContact CB-CG 4.17Å; P359-L361 HydrophobicContact CG-CD1 3.93Å; P359-L361 HydrophobicContact CG-CD2 4Å; P359-L361 HydrophobicContact CG-CG 3.81Å
362	I	95.5	Very high	78.4	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	93.4	173.8	-58.2	177.9	0	0	0	105.3	L191 L221 I225 F229 G269 Y270 F311 Y313 L364	L191-I362 HydrophobicContact CD1-CD1 4.37Å; L191-I362 HydrophobicContact CD2-CD1 4.37Å; L221-I362 HydrophobicContact CD2-CG2 4.48Å; I225-I362 HydrophobicContact CD1-CD1 3.59Å; I225-I362 HydrophobicContact CG1-CD1 3.6Å; F229-I362 HydrophobicContact CE2-CD1 4.36Å; G269-I362 CarbonylContact C-O 3.58Å; G269-I362 VanDerWaalsContact CA-O 3.25Å; G269-I362 WeakPolarHBondContact CA-O 3.48Å; Y270-I362 PolarHBondContact N-O 3.06Å; Y270-I362 PolarHBondContact O-N 2.82Å; F311-I362 CarbonylContact O-C 3.53Å; F311-I362 WeakPolarHBondContact O-CA 3.23Å; Y313-I362 HydrophobicContact CE2-CG2 4.06Å; I362-L364 HydrophobicContact CG2-CD1 3.69Å
363	L	95.7	Very high	79.5	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118	-175.8	-53.7	-176.4	0	0	0	110.1	L240 F311 I312 Y313 I324 F365 L399	L240-L363 HydrophobicContact CD1-CD2 3.53Å; F311-L363 PolarHBondContact O-N 2.84Å; I312-L363 CarbonylContact C-O 3.6Å; I312-L363 WeakPolarHBondContact CA-O 3.25Å; I312-L363 HydrophobicContact CD1-CD1 4.35Å; I312-L363 HydrophobicContact CG1-CB 4.3Å; I312-L363 HydrophobicContact CG1-CD1 4.29Å; I312-L363 HydrophobicContact CG1-CG 4.49Å; I312-L363 HydrophobicContact CG2-CB 4.42Å; Y313-L363 PolarHBondContact N-O 2.95Å; I324-L363 HydrophobicContact CG2-CD1 3.76Å; L363-F365 HydrophobicContact CB-CD2 4.39Å; L363-F365 HydrophobicContact CB-CE2 3.8Å; L363-F365 HydrophobicContact CD1-CE2 4.34Å; L363-L399 HydrophobicContact CD2-CD2 4.45Å
364	L	94.6	Very high	80.6	Confident	27 Å²	27	34.7 Å²	34.7	14%	0.141	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	107	178.3	-72.1	77.5	0	0	0	109.2	V192 L221 I267 S268 Y313 I362	V192-L364 HydrophobicContact CG2-CD2 4.35Å; L221-L364 HydrophobicContact CD2-CD1 3.68Å; L221-L364 HydrophobicContact CD2-CD2 3.98Å; I267-L364 WeakPolarHBondContact CA-O 3.45Å; S268-L364 PolarHBondContact N-O 3.09Å; S268-L364 PolarHBondContact O-N 3.09Å; S268-L364 WeakPolarHBondContact OG-CB 3.33Å; S268-L364 PolarHBondContact OG-O 3.08Å; Y313-L364 HydrophobicContact CD2-CD1 4.04Å; Y313-L364 HydrophobicContact CD2-CG 4.05Å; Y313-L364 HydrophobicContact CG-CG 4.49Å; I362-L364 HydrophobicContact CG2-CD1 3.69Å
365	F	92.6	Very high	81.2	Confident	1 Å²	1	38.3 Å²	38.3	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126	172.4	-66.7	-101.4	0	0	0	109.6	K266 I267 I312 Y313 I314 N315 I324 L363 M367 V391 A395	K266-F365 CarbonylContact O-C 3.53Å; K266-F365 WeakPolarHBondContact O-CA 3.3Å; I267-F365 HydrophobicContact CD1-CD1 3.98Å; I267-F365 HydrophobicContact CD1-CE1 3.31Å; I267-F365 HydrophobicContact CD1-CZ 3.86Å; I267-F365 HydrophobicContact CG1-CD1 3.68Å; I267-F365 HydrophobicContact CG1-CE1 3.56Å; I267-F365 HydrophobicContact CG1-CG 4.47Å; I267-F365 HydrophobicContact CG1-CZ 4.25Å; I267-F365 HydrophobicContact CG2-CZ 4.45Å; I312-F365 HydrophobicContact CG2-CD2 3.87Å; I312-F365 HydrophobicContact CG2-CE2 3.71Å; Y313-F365 WeakPolarHBondContact O-CB 3.3Å; Y313-F365 PolarHBondContact O-N 3.45Å; I314-F365 WeakPolarHBondContact CA-O 3.43Å; I314-F365 HydrophobicContact CG1-CB 3.97Å; I314-F365 HydrophobicContact CG1-CG 4.45Å; N315-F365 PolarHBondContact N-O 3.43Å; I324-F365 HydrophobicContact CD1-CE1 4.06Å; I324-F365 HydrophobicContact CD1-CE2 4.22Å; I324-F365 HydrophobicContact CD1-CZ 3.58Å; I324-F365 HydrophobicContact CG2-CE2 4.46Å; I324-F365 HydrophobicContact CG2-CZ 4.08Å; L363-F365 HydrophobicContact CB-CD2 4.39Å; L363-F365 HydrophobicContact CB-CE2 3.8Å; L363-F365 HydrophobicContact CD1-CE2 4.34Å; F365-M367 HydrophobicContact CB-CE 3.61Å; F365-M367 HydrophobicContact CD1-CE 3.92Å; F365-M367 HydrophobicContact CG-CE 4.09Å; F365-V391 HydrophobicContact CD1-CG1 3.86Å; F365-V391 HydrophobicContact CE1-CG1 3.45Å; F365-V391 VanDerWaalsContact CE1-CG1 3.45Å; F365-V391 HydrophobicContact CZ-CG1 4.36Å; F365-A395 HydrophobicContact CZ-CB 4.32Å
366	T	90.2	Very high	81.3	Confident	76 Å²	76	38.4 Å²	38.4	47%	0.466	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	118	169.4	-55	0	0	0	0	107.5	I265 K266 N315	I265-T366 CarbonylContact C-O 3.52Å; I265-T366 VanDerWaalsContact CA-O 3.3Å; I265-T366 WeakPolarHBondContact CA-O 3.28Å; K266-T366 PolarHBondContact N-O 3.42Å; K266-T366 PolarHBondContact O-N 2.91Å; N315-T366 WeakPolarHBondContact OD1-CA 3.45Å
367	M	87.2	Confident	81.1	Confident	11 Å²	11	36.9 Å²	36.9	5%	0.054	20%	0.199	C	C	.	.			trans	-150.4	159.9	-178.5	62.3	-179.2	80.8	0	0	111.7	I265 I314 N315 F365 V372 L385	I265-M367 HydrophobicContact CB-CB 4.38Å; I265-M367 HydrophobicContact CD1-CB 4.42Å; I265-M367 HydrophobicContact CG1-CB 3.85Å; I265-M367 HydrophobicContact CG2-CB 4.22Å; I265-M367 HydrophobicContact CG2-CE 4.18Å; I314-M367 HydrophobicContact CD1-CE 4.42Å; I314-M367 HydrophobicContact CG1-CE 4.23Å; I314-M367 HydrophobicContact CG2-CE 4.32Å; I314-M367 HydrophobicContact CG2-CG 4.06Å; I314-M367 HydrophobicContact CG2-SD 4.21Å; N315-M367 VanDerWaalsContact CG-O 3.31Å; N315-M367 PolarHBondContact ND2-O 3.2Å; N315-M367 PolarHBondContact OD1-N 3.12Å; N315-M367 PolarHBondContact OD1-O 2.78Å; F365-M367 HydrophobicContact CB-CE 3.61Å; F365-M367 HydrophobicContact CD1-CE 3.92Å; F365-M367 HydrophobicContact CG-CE 4.09Å; M367-V372 HydrophobicContact CG-CG2 3.69Å; M367-V372 HydrophobicContact SD-CG2 3.25Å; M367-V372 WeakPolarHBondContact SD-CG2 3.45Å; M367-L385 HydrophobicContact CE-CD2 4.39Å; M367-L385 HydrophobicContact SD-CD2 4.08Å
368	P	83.3	Confident	80.1	Confident	42 Å²	42	40 Å²	40	27%	0.273	22%	0.22	S	C	.	.			trans	-56.3	140.7	176.4	-25	35.5	0	0	0	112.6	Q370 S371	P368-Q370 HydrophobicContact CB-CG 3.93Å; P368-Q370 PolarHBondContact O-N 3.28Å; P368-S371 PolarHBondContact O-N 2.96Å; P368-S371 VanDerWaalsContact O-N 3.11Å; P368-S371 PolarHBondContact O-OG 2.9Å
369	T	76.9	Confident	79.2	Confident	48 Å²	48	40.5 Å²	40.5	29%	0.294	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-59.6	-35.1	-179.8	52.4	0	0	0	0	112.4	S95 S371 V372	S95-T369 WeakPolarHBondContact O-CB 3.41Å; S95-T369 PolarHBondContact O-OG1 3.3Å; T369-S371 PolarHBondContact O-N 2.94Å; T369-V372 PolarHBondContact O-N 3.02Å
370	Q	73.2	Confident	78.2	Confident	150 Å²	150	40.9 Å²	40.9	70%	0.701	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-64.2	-18.1	177.3	64.6	-176.4	-6.6	0	0	115.2	P368 V372	P368-Q370 HydrophobicContact CB-CG 3.93Å; P368-Q370 PolarHBondContact O-N 3.28Å; Q370-V372 VanDerWaalsContact C-N 3.32Å
371	S	73.4	Confident	76.9	Confident	15 Å²	15	44.2 Å²	44.2	11%	0.105	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-89.4	3.1	179	58.7	0	0	0	0	113.5	P368 T369 H386	P368-S371 PolarHBondContact O-N 2.96Å; P368-S371 VanDerWaalsContact O-N 3.11Å; P368-S371 PolarHBondContact O-OG 2.9Å; T369-S371 PolarHBondContact O-N 2.94Å; S371-H386 WeakPolarHBondContact O-CB 3.2Å; S371-H386 PolarHBondContact O-CD2 2.81Å; S371-H386 PolarHBondContact O-N 3.46Å
372	V	76	Confident	75.9	Confident	16 Å²	16	46.8 Å²	46.8	10%	0.097	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	120.5	-173.8	-174.3	0	0	0	0	109.7	I314 M367 T369 Q370 I374 L383 L385	I314-V372 HydrophobicContact CG2-CG1 4.27Å; I314-V372 HydrophobicContact CG2-CG2 3.94Å; M367-V372 HydrophobicContact CG-CG2 3.69Å; M367-V372 HydrophobicContact SD-CG2 3.25Å; M367-V372 WeakPolarHBondContact SD-CG2 3.45Å; T369-V372 PolarHBondContact O-N 3.02Å; Q370-V372 VanDerWaalsContact C-N 3.32Å; V372-I374 HydrophobicContact CG1-CG1 4.13Å; V372-L383 HydrophobicContact CG1-CB 4.15Å; V372-L383 HydrophobicContact CG1-CD1 3.99Å; V372-L383 HydrophobicContact CG1-CD2 4.25Å; V372-L383 HydrophobicContact CG1-CG 4.37Å; V372-L385 HydrophobicContact CG1-CD2 4.25Å; V372-L385 HydrophobicContact CG2-CD2 4.05Å
373	D	69.9	Low	74.7	Confident	66 Å²	66	47.7 Å²	47.7	35%	0.353	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	116.8	168.5	-170.1	-2.2	0	0	0	110.4	N375 L383 L384	D373-N375 WeakPolarHBondContact OD1-CB 3.42Å; D373-N375 PolarHBondContact OD1-N 2.98Å; D373-L383 WeakPolarHBondContact O-CA 3.35Å; D373-L383 WeakPolarHBondContact O-CD2 3.45Å; D373-L384 HydrophobicContact CB-CB 4.29Å; D373-L384 PolarHBondContact N-O 3.05Å; D373-L384 PolarHBondContact O-N 3.36Å
374	I	69.2	Low	73.7	Confident	49 Å²	49	52.1 Å²	52.1	25%	0.251	28%	0.283	S	S	.	.			trans	-90.3	-12.9	-179.7	-55.5	170.1	0	0	0	112.2	V372 L376 K380 L383	V372-I374 HydrophobicContact CG1-CG1 4.13Å; I374-L376 PolarHBondContact O-N 2.85Å; I374-K380 HydrophobicContact CG2-CB 4.33Å; I374-L383 VanDerWaalsContact CA-CD2 3.45Å; I374-L383 HydrophobicContact CB-CD2 3.94Å; I374-L383 HydrophobicContact CG1-CD2 3.83Å; I374-L383 HydrophobicContact CG2-CD2 4.04Å
375	N	64.1	Low	72.8	Confident	84 Å²	84	51.7 Å²	51.7	45%	0.449	28%	0.28	S	S	.	.			trans	-94.2	32.4	-165.3	-162.9	42.9	0	0	0	114.7	R103 D373	R103-N375 PolarHBondContact NH2-OD1 3.3Å; D373-N375 WeakPolarHBondContact OD1-CB 3.42Å; D373-N375 PolarHBondContact OD1-N 2.98Å
376	L	62	Low	71.8	Confident	84 Å²	84	56.5 Å²	56.5	44%	0.44	30%	0.303	S	S	.	.	S	Bend	trans	-91.6	-44.8	-173.3	-61	178.6	0	0	0	114.9	I374 L383 L384	I374-L376 PolarHBondContact O-N 2.85Å; L376-L383 VanDerWaalsContact CD1-C 3.44Å; L376-L384 HydrophobicContact CD1-CB 3.7Å; L376-L384 HydrophobicContact CD2-CB 4.44Å
377	T	61.9	Low	71.2	Confident	38 Å²	38	59.5 Å²	59.5	23%	0.233	31%	0.311	C	S	.	.	S	Bend	trans	-119.6	149.5	-175.1	39.8	0	0	0	0	111.2	D379 K380 R381 T382	T377-D379 WeakPolarHBondContact CB-OD1 2.92Å; T377-D379 PolarHBondContact O-N 2.76Å; T377-D379 PolarHBondContact OG1-OD1 2.94Å; T377-D379 VanDerWaalsContact OG1-OD1 3.09Å; T377-K380 WeakPolarHBondContact O-CA 3.47Å; T377-K380 PolarHBondContact O-N 3.48Å; T377-R381 PolarHBondContact OG1-N 2.84Å; T377-T382 HydrophobicContact CG2-CG2 4.46Å; T377-T382 WeakPolarHBondContact CG2-OG1 3.35Å; T377-T382 PolarHBondContact OG1-N 2.85Å; T377-T382 PolarHBondContact OG1-OG1 3.05Å
378	P	57.6	Low	71.1	Confident	76 Å²	76	62.1 Å²	62.1	49%	0.494	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-33.6	179.1	-24.7	33.9	0	0	0	113.6	K380	P378-K380 VanDerWaalsContact C-N 3.3Å
379	D	64.5	Low	71.2	Confident	64 Å²	64	64.2 Å²	64.2	34%	0.342	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-7.9	175.9	67.3	-12.7	0	0	0	113.5	K36 T377 R381	K36-D379 VanDerWaalsContact CE-O 3.3Å; K36-D379 WeakPolarHBondContact CE-O 3.4Å; T377-D379 WeakPolarHBondContact CB-OD1 2.92Å; T377-D379 PolarHBondContact O-N 2.76Å; T377-D379 PolarHBondContact OG1-OD1 2.94Å; T377-D379 VanDerWaalsContact OG1-OD1 3.09Å; D379-R381 HydrophobicContact CB-CG 4.34Å; D379-R381 PolarHBondContact O-N 3.21Å; D379-R381 PolarHBondContact OD1-N 2.83Å; D379-R381 WeakPolarHBondContact OD2-CD 3.25Å
380	K	68.3	Low	71.7	Confident	8 Å²	8	63.6 Å²	63.6	4%	0.035	33%	0.325	C	S	.	.			trans	56	33	178.4	-52.7	168.5	-173.1	158.9	0	112.9	E37 R317 I374 T377 P378	E37-K380 IonicContact OE2-NZ 2.74Å; R317-K380 PolarHBondContact NE-O 2.97Å; R317-K380 VanDerWaalsContact NH2-CB 3.33Å; R317-K380 VanDerWaalsContact NH2-CD 3.28Å; I374-K380 HydrophobicContact CG2-CB 4.33Å; T377-K380 WeakPolarHBondContact O-CA 3.47Å; T377-K380 PolarHBondContact O-N 3.48Å; P378-K380 VanDerWaalsContact C-N 3.3Å
381	R	64.3	Low	72.4	Confident	70 Å²	70	56.5 Å²	56.5	26%	0.264	29%	0.292	S	S	.	.			trans	-92.1	-34.3	179.9	-73.6	-170.3	168.5	-161	-3.8	113.1	C319 D320 T377 D379	C319-R381 WeakPolarHBondContact CA-O 3.45Å; C319-R381 WeakPolarHBondContact CB-O 3.22Å; D320-R381 PolarHBondContact N-O 2.83Å; D320-R381 WeakPolarHBondContact OD2-CD 3.04Å; D320-R381 IonicContact OD2-NH1 3.83Å; T377-R381 PolarHBondContact OG1-N 2.84Å; D379-R381 HydrophobicContact CB-CG 4.34Å; D379-R381 PolarHBondContact O-N 3.21Å; D379-R381 PolarHBondContact OD1-N 2.83Å; D379-R381 WeakPolarHBondContact OD2-CD 3.25Å
382	T	72.6	Confident	73.2	Confident	56 Å²	56	56.1 Å²	56.1	34%	0.344	29%	0.288	S	S	.	.			trans	-91	137.5	175.1	60.7	0	0	0	0	110.1	T377	T377-T382 HydrophobicContact CG2-CG2 4.46Å; T377-T382 WeakPolarHBondContact CG2-OG1 3.35Å; T377-T382 PolarHBondContact OG1-N 2.85Å; T377-T382 PolarHBondContact OG1-OG1 3.05Å
383	L	72	Confident	73.8	Confident	19 Å²	19	55.3 Å²	55.3	10%	0.099	28%	0.283	C	S	.	.			trans	-128.2	147.8	-176.4	-58.2	173.2	0	0	0	109.2	I314 C319 V372 D373 I374 L376	I314-L383 HydrophobicContact CB-CD1 4.2Å; I314-L383 HydrophobicContact CD1-CD1 3.53Å; I314-L383 HydrophobicContact CG1-CD1 4.36Å; C319-L383 HydrophobicContact CB-CD1 3.54Å; C319-L383 HydrophobicContact CB-CG 4.17Å; V372-L383 HydrophobicContact CG1-CB 4.15Å; V372-L383 HydrophobicContact CG1-CD1 3.99Å; V372-L383 HydrophobicContact CG1-CD2 4.25Å; V372-L383 HydrophobicContact CG1-CG 4.37Å; D373-L383 WeakPolarHBondContact O-CA 3.35Å; D373-L383 WeakPolarHBondContact O-CD2 3.45Å; I374-L383 VanDerWaalsContact CA-CD2 3.45Å; I374-L383 HydrophobicContact CB-CD2 3.94Å; I374-L383 HydrophobicContact CG1-CD2 3.83Å; I374-L383 HydrophobicContact CG2-CD2 4.04Å; L376-L383 VanDerWaalsContact CD1-C 3.44Å
384	L	73.4	Confident	74.8	Confident	95 Å²	95	52.7 Å²	52.7	50%	0.497	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	122.7	170.5	-177.2	71.6	0	0	0	106.6	D373 L376	D373-L384 HydrophobicContact CB-CB 4.29Å; D373-L384 PolarHBondContact N-O 3.05Å; D373-L384 PolarHBondContact O-N 3.36Å; L376-L384 HydrophobicContact CD1-CB 3.7Å; L376-L384 HydrophobicContact CD2-CB 4.44Å
385	L	76.5	Confident	75.9	Confident	17 Å²	17	50.4 Å²	50.4	9%	0.089	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125	-179.9	-60.4	176.3	0	0	0	109.4	I314 L321 M367 V372 H387 V391	I314-L385 HydrophobicContact CD1-CD2 3.69Å; L321-L385 HydrophobicContact CD1-CD1 4.14Å; L321-L385 HydrophobicContact CD2-CD1 4.14Å; M367-L385 HydrophobicContact CE-CD2 4.39Å; M367-L385 HydrophobicContact SD-CD2 4.08Å; V372-L385 HydrophobicContact CG1-CD2 4.25Å; V372-L385 HydrophobicContact CG2-CD2 4.05Å; L385-H387 PolarHBondContact O-N 3.37Å; L385-V391 HydrophobicContact CD1-CB 4.34Å; L385-V391 HydrophobicContact CD1-CG1 4.07Å; L385-V391 HydrophobicContact CD1-CG2 4.36Å
386	H	72	Confident	77.2	Confident	102 Å²	102	47 Å²	47	47%	0.472	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	131.1	161.9	-71.6	-84.6	0	0	0	108.4	S371	S371-H386 WeakPolarHBondContact O-CB 3.2Å; S371-H386 PolarHBondContact O-CD2 2.81Å; S371-H386 PolarHBondContact O-N 3.46Å
387	H	77.2	Confident	78.6	Confident	139 Å²	139	43.2 Å²	43.2	64%	0.644	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.7	44.8	-175.5	-43.9	92.2	0	0	0	114.3	L385 N389 Y390 V391	L385-H387 PolarHBondContact O-N 3.37Å; H387-N389 PolarHBondContact O-N 2.9Å; H387-N389 VanDerWaalsContact O-N 3.13Å; H387-Y390 WeakPolarHBondContact O-CB 3.47Å; H387-Y390 PolarHBondContact O-N 2.77Å; H387-V391 PolarHBondContact O-N 2.79Å
388	E	84.1	Confident	80	Confident	67 Å²	67	41.5 Å²	41.5	31%	0.313	21%	0.21	S	C	.	.	H	α-helix	trans	-46	-44.1	177.7	-172.3	179.7	-159.2	0	0	113.5	K323 Y390 V391 M392	K323-E388 WeakPolarHBondContact CD-OE1 2.82Å; K323-E388 WeakPolarHBondContact CE-OE1 3.46Å; K323-E388 IonicContact NZ-OE1 2.68Å; K323-E388 PolarHBondContact NZ-OE1 3.41Å; K323-E388 IonicContact NZ-OE2 2.65Å; K323-E388 PolarHBondContact NZ-OE2 2.76Å; E388-Y390 VanDerWaalsContact C-N 3.32Å; E388-Y390 PolarHBondContact O-N 3.05Å; E388-V391 PolarHBondContact O-N 2.83Å; E388-M392 HydrophobicContact CG-CG 4.42Å; E388-M392 VanDerWaalsContact O-CG 3.3Å; E388-M392 WeakPolarHBondContact O-CG 3.44Å; E388-M392 PolarHBondContact O-N 3.04Å
389	N	86.5	Confident	81.7	Confident	86 Å²	86	38 Å²	38	46%	0.46	19%	0.187	S	C	.	.	H	α-helix	trans	-60.4	-39	178.2	-70.4	-3	0	0	0	112.8	F254 H387 M392 A393	F254-N389 HydrophobicContact CB-CB 4.45Å; F254-N389 PolarHBondContact O-ND2 2.83Å; H387-N389 PolarHBondContact O-N 2.9Å; H387-N389 VanDerWaalsContact O-N 3.13Å; N389-M392 PolarHBondContact O-N 2.78Å; N389-A393 WeakPolarHBondContact O-CB 3.39Å; N389-A393 PolarHBondContact O-N 2.89Å
390	Y	86.6	Confident	82.8	Confident	35 Å²	35	35.9 Å²	35.9	14%	0.137	18%	0.176	C	C	.	.	H	α-helix	trans	-65.2	-44	176.6	-179.2	-90.2	0	0	0	111.5	I246 I256 G262 I265 H387 E388 M392 A393 L394	I246-Y390 HydrophobicContact CD1-CD2 3.97Å; I246-Y390 HydrophobicContact CD1-CE2 3.54Å; I256-Y390 HydrophobicContact CD1-CD2 4.41Å; I256-Y390 HydrophobicContact CG2-CD2 4.14Å; G262-Y390 PolarHBondContact O-OH 2.8Å; I265-Y390 HydrophobicContact CB-CE1 4.37Å; I265-Y390 HydrophobicContact CD1-CD1 4.07Å; I265-Y390 HydrophobicContact CD1-CE1 4.25Å; H387-Y390 WeakPolarHBondContact O-CB 3.47Å; H387-Y390 PolarHBondContact O-N 2.77Å; E388-Y390 VanDerWaalsContact C-N 3.32Å; E388-Y390 PolarHBondContact O-N 3.05Å; Y390-M392 VanDerWaalsContact C-N 3.31Å; Y390-M392 PolarHBondContact O-N 2.99Å; Y390-A393 PolarHBondContact O-N 2.91Å; Y390-L394 HydrophobicContact CE1-CD2 4.16Å; Y390-L394 VanDerWaalsContact O-CB 3.32Å; Y390-L394 WeakPolarHBondContact O-CB 3.27Å; Y390-L394 PolarHBondContact O-N 3.09Å
391	V	88.9	Confident	83.8	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-62.9	-40.4	176.8	-177.4	0	0	0	0	110.9	I265 I324 F365 L385 H387 E388 A395	I265-V391 HydrophobicContact CD1-CG2 3.93Å; I324-V391 HydrophobicContact CD1-CG1 3.86Å; F365-V391 HydrophobicContact CD1-CG1 3.86Å; F365-V391 HydrophobicContact CE1-CG1 3.45Å; F365-V391 VanDerWaalsContact CE1-CG1 3.45Å; F365-V391 HydrophobicContact CZ-CG1 4.36Å; L385-V391 HydrophobicContact CD1-CB 4.34Å; L385-V391 HydrophobicContact CD1-CG1 4.07Å; L385-V391 HydrophobicContact CD1-CG2 4.36Å; H387-V391 PolarHBondContact O-N 2.79Å; E388-V391 PolarHBondContact O-N 2.83Å; V391-A395 VanDerWaalsContact O-CB 3.3Å; V391-A395 WeakPolarHBondContact O-CB 3.25Å; V391-A395 PolarHBondContact O-N 2.77Å
392	M	89.7	Confident	85	Confident	6 Å²	6	35.8 Å²	35.8	3%	0.03	18%	0.178	C	C	.	.	H	α-helix	trans	-63	-46	175.6	-72.7	-68.6	-66.3	0	0	112.4	F254 K323 I324 L327 E388 N389 Y390 A395 K396 F421	F254-M392 HydrophobicContact CD1-CB 3.92Å; F254-M392 HydrophobicContact CE1-CB 3.53Å; F254-M392 HydrophobicContact CE1-CE 4.33Å; F254-M392 HydrophobicContact CE1-CG 4.45Å; F254-M392 HydrophobicContact CZ-CB 4.05Å; K323-M392 HydrophobicContact CB-CE 3.86Å; K323-M392 HydrophobicContact CB-SD 3.72Å; I324-M392 HydrophobicContact CB-SD 4.48Å; I324-M392 HydrophobicContact CG1-SD 3.53Å; I324-M392 VanDerWaalsContact CG1-SD 3.53Å; L327-M392 HydrophobicContact CB-CE 4.17Å; L327-M392 HydrophobicContact CD2-CE 3.94Å; E388-M392 HydrophobicContact CG-CG 4.42Å; E388-M392 VanDerWaalsContact O-CG 3.3Å; E388-M392 WeakPolarHBondContact O-CG 3.44Å; E388-M392 PolarHBondContact O-N 3.04Å; N389-M392 PolarHBondContact O-N 2.78Å; Y390-M392 VanDerWaalsContact C-N 3.31Å; Y390-M392 PolarHBondContact O-N 2.99Å; M392-A395 PolarHBondContact O-N 3.15Å; M392-K396 PolarHBondContact O-N 3Å; M392-F421 HydrophobicContact CE-CD1 4.19Å; M392-F421 HydrophobicContact CE-CE1 3.4Å; M392-F421 HydrophobicContact CE-CE2 4.09Å; M392-F421 HydrophobicContact CE-CZ 3.33Å
393	A	89.2	Confident	85.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.7	-44.7	176.7	0	0	0	0	0	112.4	I246 I250 F254 I256 N389 Y390 A395 K396 A397	I246-A393 HydrophobicContact CD1-CB 4.18Å; I246-A393 HydrophobicContact CG2-CB 4.29Å; I250-A393 HydrophobicContact CG2-CB 3.82Å; F254-A393 HydrophobicContact CB-CB 4.02Å; F254-A393 HydrophobicContact CD2-CB 3.58Å; F254-A393 HydrophobicContact CE2-CB 4.25Å; F254-A393 HydrophobicContact CG-CB 3.9Å; I256-A393 HydrophobicContact CD1-CB 3.16Å; N389-A393 WeakPolarHBondContact O-CB 3.39Å; N389-A393 PolarHBondContact O-N 2.89Å; Y390-A393 PolarHBondContact O-N 2.91Å; A393-A395 VanDerWaalsContact C-N 3.35Å; A393-A395 PolarHBondContact O-N 3.38Å; A393-K396 PolarHBondContact O-N 3.17Å; A393-A397 WeakPolarHBondContact O-CB 3.46Å; A393-A397 PolarHBondContact O-N 3.24Å
394	L	90.1	Very high	85.9	Confident	10 Å²	10	33 Å²	33	5%	0.052	16%	0.16	C	C	.	.	H	α-helix	trans	-60.7	-45.1	176.3	-177.6	60.1	0	0	0	110.9	I243 I246 I265 I267 Y390 A397 V398	I243-L394 HydrophobicContact CD1-CD1 3.73Å; I243-L394 HydrophobicContact CG1-CD1 3.76Å; I246-L394 HydrophobicContact CD1-CB 4.05Å; I246-L394 HydrophobicContact CD1-CD1 4.44Å; I246-L394 HydrophobicContact CG1-CD1 4.22Å; I265-L394 HydrophobicContact CB-CD2 4.03Å; I265-L394 HydrophobicContact CG2-CD2 3.7Å; I265-L394 WeakPolarHBondContact O-CD2 3.44Å; I267-L394 HydrophobicContact CD1-CB 4.17Å; I267-L394 HydrophobicContact CD1-CD2 4.03Å; I267-L394 HydrophobicContact CD1-CG 3.66Å; I267-L394 HydrophobicContact CG1-CD2 3.99Å; I267-L394 HydrophobicContact CG1-CG 4.06Å; Y390-L394 HydrophobicContact CE1-CD2 4.16Å; Y390-L394 VanDerWaalsContact O-CB 3.32Å; Y390-L394 WeakPolarHBondContact O-CB 3.27Å; Y390-L394 PolarHBondContact O-N 3.09Å; L394-A397 PolarHBondContact O-N 3.4Å; L394-V398 HydrophobicContact CD1-CG2 4.33Å; L394-V398 WeakPolarHBondContact O-CB 3.49Å; L394-V398 VanDerWaalsContact O-CG2 3.31Å; L394-V398 WeakPolarHBondContact O-CG2 3.46Å; L394-V398 PolarHBondContact O-N 3.35Å
395	A	92.4	Very high	85.9	Confident	2 Å²	2	32.5 Å²	32.5	2%	0.017	16%	0.157	C	C	.	.	H	α-helix	trans	-61.3	-44.8	175.7	0	0	0	0	0	111.8	I267 I324 L327 F365 V391 M392 A393 L399	I267-A395 VanDerWaalsContact CD1-CA 3.45Å; I267-A395 HydrophobicContact CD1-CB 3.86Å; I324-A395 HydrophobicContact CG2-CB 4.3Å; L327-A395 HydrophobicContact CD2-CB 4.41Å; F365-A395 HydrophobicContact CZ-CB 4.32Å; V391-A395 VanDerWaalsContact O-CB 3.3Å; V391-A395 WeakPolarHBondContact O-CB 3.25Å; V391-A395 PolarHBondContact O-N 2.77Å; M392-A395 PolarHBondContact O-N 3.15Å; A393-A395 VanDerWaalsContact C-N 3.35Å; A393-A395 PolarHBondContact O-N 3.38Å; A395-L399 WeakPolarHBondContact O-CB 3.3Å; A395-L399 WeakPolarHBondContact O-CD1 3.4Å; A395-L399 WeakPolarHBondContact O-CG 3.17Å; A395-L399 PolarHBondContact O-N 2.82Å
396	K	92	Very high	85.2	Confident	11 Å²	11	34 Å²	34	5%	0.048	17%	0.17	C	C	.	.	H	α-helix	trans	-57.8	-50.9	175.6	-172.6	171.2	-172	-176.7	0	110.8	I250 E253 F254 L327 L331 M392 A393 V398 L399 V400	I250-K396 HydrophobicContact CD1-CG 4.23Å; I250-K396 HydrophobicContact CG1-CD 4.47Å; I250-K396 HydrophobicContact CG2-CB 4.27Å; I250-K396 HydrophobicContact CG2-CD 4.29Å; E253-K396 IonicContact OE1-NZ 3.75Å; E253-K396 PolarHBondContact OE1-NZ 2.82Å; E253-K396 IonicContact OE2-NZ 2.85Å; E253-K396 PolarHBondContact OE2-NZ 2.9Å; F254-K396 HydrophobicContact CE2-CB 4.18Å; F254-K396 HydrophobicContact CE2-CD 3.75Å; F254-K396 HydrophobicContact CZ-CD 4.3Å; L327-K396 HydrophobicContact CD1-CB 4.36Å; L327-K396 HydrophobicContact CD1-CD 4.3Å; L327-K396 HydrophobicContact CD1-CG 4.25Å; L327-K396 HydrophobicContact CD2-CB 3.94Å; L331-K396 HydrophobicContact CD1-CG 4.12Å; M392-K396 PolarHBondContact O-N 3Å; A393-K396 PolarHBondContact O-N 3.17Å; K396-V398 PolarHBondContact O-N 3.05Å; K396-L399 PolarHBondContact O-N 3.11Å; K396-V400 HydrophobicContact CG-CG2 4.18Å; K396-V400 WeakPolarHBondContact O-CB 3.34Å; K396-V400 VanDerWaalsContact O-CG2 3.24Å; K396-V400 WeakPolarHBondContact O-CG2 3.44Å; K396-V400 PolarHBondContact O-N 3.26Å
397	A	90.1	Very high	84.7	Confident	5 Å²	5	31.2 Å²	31.2	4%	0.041	16%	0.162	C	C	.	.	H	α-helix	trans	-62.8	-44.1	-176.5	0	0	0	0	0	112.6	I243 I246 I250 A393 L394 K401	I243-A397 HydrophobicContact CD1-CB 3.26Å; I246-A397 HydrophobicContact CG2-CB 4.23Å; I250-A397 HydrophobicContact CD1-CB 3.7Å; A393-A397 WeakPolarHBondContact O-CB 3.46Å; A393-A397 PolarHBondContact O-N 3.24Å; L394-A397 PolarHBondContact O-N 3.4Å; A397-K401 WeakPolarHBondContact O-CB 3.46Å; A397-K401 PolarHBondContact O-N 2.74Å
398	V	92.7	Very high	83.6	Confident	3 Å²	3	28 Å²	28	2%	0.018	17%	0.166	C	C	.	.	H	α-helix	trans	-62.5	-44.7	176	168.2	0	0	0	0	111.3	L240 I243 I267 L394 K396 T402	L240-V398 HydrophobicContact CB-CG1 3.9Å; L240-V398 HydrophobicContact CD1-CG1 4.25Å; L240-V398 HydrophobicContact CD2-CG1 4.24Å; L240-V398 HydrophobicContact CG-CG1 4.35Å; I243-V398 HydrophobicContact CD1-CG2 3.93Å; I243-V398 HydrophobicContact CG1-CG2 3.84Å; I243-V398 HydrophobicContact CG2-CG2 4.2Å; I267-V398 HydrophobicContact CB-CG2 4.35Å; I267-V398 HydrophobicContact CG2-CG1 4.39Å; L394-V398 HydrophobicContact CD1-CG2 4.33Å; L394-V398 WeakPolarHBondContact O-CB 3.49Å; L394-V398 VanDerWaalsContact O-CG2 3.31Å; L394-V398 WeakPolarHBondContact O-CG2 3.46Å; L394-V398 PolarHBondContact O-N 3.35Å; K396-V398 PolarHBondContact O-N 3.05Å; V398-T402 WeakPolarHBondContact O-CB 3.44Å; V398-T402 PolarHBondContact O-N 3.25Å; V398-T402 PolarHBondContact O-OG1 2.94Å
399	L	92	Very high	82.2	Confident	3 Å²	3	27.5 Å²	27.5	2%	0.016	17%	0.165	C	C	.	.	H	α-helix	trans	-69.1	-41.6	-179.2	-72.4	166.5	0	0	0	112.3	L240 A328 L331 L363 A395 K396 T402 L403	L240-L399 HydrophobicContact CD2-CD2 3.94Å; A328-L399 HydrophobicContact CB-CD1 3.55Å; L331-L399 HydrophobicContact CD1-CB 3.9Å; L331-L399 HydrophobicContact CD1-CD1 4.21Å; L363-L399 HydrophobicContact CD2-CD2 4.45Å; A395-L399 WeakPolarHBondContact O-CB 3.3Å; A395-L399 WeakPolarHBondContact O-CD1 3.4Å; A395-L399 WeakPolarHBondContact O-CG 3.17Å; A395-L399 PolarHBondContact O-N 2.82Å; K396-L399 PolarHBondContact O-N 3.11Å; L399-T402 PolarHBondContact O-N 2.75Å; L399-L403 VanDerWaalsContact O-CB 3.27Å; L399-L403 WeakPolarHBondContact O-CB 3.26Å; L399-L403 VanDerWaalsContact O-CG 3.27Å; L399-L403 WeakPolarHBondContact O-CG 3.27Å; L399-L403 PolarHBondContact O-N 2.89Å
400	V	89.2	Confident	80.4	Confident	19 Å²	19	29.9 Å²	29.9	12%	0.115	18%	0.177	C	C	.	.	H	α-helix	trans	-61	-51.6	174.7	169.1	0	0	0	0	109.5	L331 K396 T402 L403 F404 L414	L331-V400 HydrophobicContact CD1-CG2 4.3Å; L331-V400 HydrophobicContact CD2-CG2 4.06Å; K396-V400 HydrophobicContact CG-CG2 4.18Å; K396-V400 WeakPolarHBondContact O-CB 3.34Å; K396-V400 VanDerWaalsContact O-CG2 3.24Å; K396-V400 WeakPolarHBondContact O-CG2 3.44Å; K396-V400 PolarHBondContact O-N 3.26Å; V400-T402 VanDerWaalsContact C-N 3.31Å; V400-T402 PolarHBondContact O-N 2.77Å; V400-L403 PolarHBondContact O-N 3.27Å; V400-F404 HydrophobicContact CB-CD2 4.36Å; V400-F404 HydrophobicContact CB-CE2 4.42Å; V400-F404 HydrophobicContact CG1-CD2 3.82Å; V400-F404 HydrophobicContact CG1-CE2 3.91Å; V400-F404 HydrophobicContact CG2-CE2 4.41Å; V400-F404 WeakPolarHBondContact O-CB 3.32Å; V400-F404 WeakPolarHBondContact O-CD2 3.35Å; V400-F404 PolarHBondContact O-N 2.98Å; V400-L414 HydrophobicContact CG2-CD2 4.42Å
401	K	87.5	Confident	78.5	Confident	76 Å²	76	33.1 Å²	33.1	33%	0.33	20%	0.196	S	C	.	.	H	α-helix	trans	-56.2	-46.4	178.3	-168.7	-179.2	-178.7	-172.4	0	112.2	E241 Q242 I243 A397 N405	E241-K401 HydrophobicContact CB-CD 4.14Å; E241-K401 HydrophobicContact CB-CG 4.38Å; E241-K401 WeakPolarHBondContact OE2-CE 3.49Å; E241-K401 WeakPolarHBondContact OE2-CG 3.44Å; E241-K401 IonicContact OE2-NZ 2.76Å; Q242-K401 PolarHBondContact O-NZ 3.22Å; I243-K401 HydrophobicContact CG2-CB 4.41Å; I243-K401 HydrophobicContact CG2-CD 3.47Å; I243-K401 VanDerWaalsContact CG2-CD 3.47Å; A397-K401 WeakPolarHBondContact O-CB 3.46Å; A397-K401 PolarHBondContact O-N 2.74Å; K401-N405 VanDerWaalsContact O-CB 3.3Å; K401-N405 WeakPolarHBondContact O-CB 3.25Å; K401-N405 VanDerWaalsContact O-CG 3.28Å; K401-N405 PolarHBondContact O-N 3.39Å; K401-N405 VanDerWaalsContact O-N 3.14Å
402	T	89.7	Confident	76.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68.2	-47.7	-177.6	-51.9	0	0	0	0	113.2	V238 E239 L240 E241 V271 V398 L399 V400 S406	V238-T402 HydrophobicContact CB-CG2 4.09Å; V238-T402 HydrophobicContact CG1-CG2 3.57Å; E239-T402 WeakPolarHBondContact O-CG2 3.47Å; L240-T402 HydrophobicContact CD2-CG2 4.1Å; E241-T402 PolarHBondContact N-OG1 3.27Å; V271-T402 HydrophobicContact CG1-CG2 4.12Å; V398-T402 WeakPolarHBondContact O-CB 3.44Å; V398-T402 PolarHBondContact O-N 3.25Å; V398-T402 PolarHBondContact O-OG1 2.94Å; L399-T402 PolarHBondContact O-N 2.75Å; V400-T402 VanDerWaalsContact C-N 3.31Å; V400-T402 PolarHBondContact O-N 2.77Å; T402-S406 WeakPolarHBondContact O-CB 3.33Å; T402-S406 PolarHBondContact O-N 3.05Å; T402-S406 PolarHBondContact O-OG 2.97Å
403	L	86.5	Confident	74.4	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-72	-31.9	-175.2	-69.1	172.4	0	0	0	112.4	V271 L331 W332 L399 V400 S406 S407	V271-L403 HydrophobicContact CG1-CD2 3.92Å; V271-L403 HydrophobicContact CG2-CD2 3.98Å; L331-L403 HydrophobicContact CB-CD1 4.34Å; W332-L403 HydrophobicContact CB-CD1 4.32Å; L399-L403 VanDerWaalsContact O-CB 3.27Å; L399-L403 WeakPolarHBondContact O-CB 3.26Å; L399-L403 VanDerWaalsContact O-CG 3.27Å; L399-L403 WeakPolarHBondContact O-CG 3.27Å; L399-L403 PolarHBondContact O-N 2.89Å; V400-L403 PolarHBondContact O-N 3.27Å; L403-S406 WeakPolarHBondContact CA-OG 3.44Å; L403-S406 PolarHBondContact O-OG 3.12Å; L403-S406 VanDerWaalsContact O-OG 3.05Å; L403-S407 PolarHBondContact O-N 2.88Å; L403-S407 PolarHBondContact O-OG 3.38Å
404	F	76.7	Confident	72.3	Confident	17 Å²	17	43.2 Å²	43.2	8%	0.075	26%	0.263	C	S	.	.	H	α-helix	trans	-80.5	-41.7	180	-75.8	-103.7	0	0	0	112.1	C335 V400 S406 S407 G408 M409 L414	C335-F404 VanDerWaalsContact SG-CE2 3.59Å; V400-F404 HydrophobicContact CB-CD2 4.36Å; V400-F404 HydrophobicContact CB-CE2 4.42Å; V400-F404 HydrophobicContact CG1-CD2 3.82Å; V400-F404 HydrophobicContact CG1-CE2 3.91Å; V400-F404 HydrophobicContact CG2-CE2 4.41Å; V400-F404 WeakPolarHBondContact O-CB 3.32Å; V400-F404 WeakPolarHBondContact O-CD2 3.35Å; V400-F404 PolarHBondContact O-N 2.98Å; F404-S406 VanDerWaalsContact C-N 3.32Å; F404-S406 PolarHBondContact O-N 3.46Å; F404-S407 PolarHBondContact O-N 2.54Å; F404-S407 VanDerWaalsContact O-N 3.13Å; F404-G408 PolarHBondContact O-N 3.12Å; F404-M409 HydrophobicContact CD1-CB 4.28Å; F404-M409 PolarHBondContact O-N 2.99Å; F404-L414 HydrophobicContact CE2-CD2 4.34Å; F404-L414 HydrophobicContact CZ-CD2 4.07Å
405	N	73.6	Confident	70.2	Confident	83 Å²	83	46.8 Å²	46.8	44%	0.444	29%	0.289	S	S	.	.	H	α-helix	trans	-62.3	-39.1	174.4	-76.7	-6.8	0	0	0	112.2	E241 K401 S407 G408	E241-N405 VanDerWaalsContact CD-ND2 3.26Å; E241-N405 WeakPolarHBondContact OE1-CB 3.19Å; E241-N405 PolarHBondContact OE1-ND2 2.89Å; E241-N405 PolarHBondContact OE2-ND2 3.28Å; K401-N405 VanDerWaalsContact O-CB 3.3Å; K401-N405 WeakPolarHBondContact O-CB 3.25Å; K401-N405 VanDerWaalsContact O-CG 3.28Å; K401-N405 PolarHBondContact O-N 3.39Å; K401-N405 VanDerWaalsContact O-N 3.14Å; N405-S407 PolarHBondContact O-N 2.82Å; N405-G408 PolarHBondContact O-N 3.21Å
406	S	62.5	Low	67.7	Low	50 Å²	50	55.1 Å²	55.1	35%	0.35	33%	0.328	S	S	.	.	H	α-helix	trans	-68.5	-21.4	177	55.8	0	0	0	0	114.1	T402 L403 F404	T402-S406 WeakPolarHBondContact O-CB 3.33Å; T402-S406 PolarHBondContact O-N 3.05Å; T402-S406 PolarHBondContact O-OG 2.97Å; L403-S406 WeakPolarHBondContact CA-OG 3.44Å; L403-S406 PolarHBondContact O-OG 3.12Å; L403-S406 VanDerWaalsContact O-OG 3.05Å; F404-S406 VanDerWaalsContact C-N 3.32Å; F404-S406 PolarHBondContact O-N 3.46Å
407	S	60.7	Low	65.1	Low	43 Å²	43	58.5 Å²	58.5	30%	0.301	35%	0.349	S	S	.	.	H	α-helix	trans	-97.4	-12	179.4	-52.6	0	0	0	0	113.5	P274 L403 F404 N405 M409	P274-S407 WeakPolarHBondContact CG-OG 3.47Å; L403-S407 PolarHBondContact O-N 2.88Å; L403-S407 PolarHBondContact O-OG 3.38Å; F404-S407 PolarHBondContact O-N 2.54Å; F404-S407 VanDerWaalsContact O-N 3.13Å; N405-S407 PolarHBondContact O-N 2.82Å; S407-M409 VanDerWaalsContact C-N 3.32Å
408	G	55.2	Low	62.5	Low	72 Å²	72	66.7 Å²	66.7	74%	0.742	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	28.3	-174.1	0	0	0	0	0	114.1	F404 N405	F404-G408 PolarHBondContact O-N 3.12Å; N405-G408 PolarHBondContact O-N 3.21Å
409	M	55.2	Low	60.1	Low	56 Å²	56	67.6 Å²	67.6	28%	0.276	39%	0.389	S	S	.	.			trans	-102.5	149.1	-176.6	-59.3	-148.4	85	0	0	112.8	E338 F404 S407	E338-M409 HydrophobicContact CB-SD 4.28Å; E338-M409 HydrophobicContact CG-CE 4Å; E338-M409 HydrophobicContact CG-SD 3.85Å; F404-M409 HydrophobicContact CD1-CB 4.28Å; F404-M409 PolarHBondContact O-N 2.99Å; S407-M409 VanDerWaalsContact C-N 3.32Å
410	D	47.4	Very low	57.2	Low	135 Å²	135	74 Å²	74	72%	0.722	42%	0.423	S	S	*	.			trans	-75.6	134.5	177.6	-78.6	-30.2	0	0	0	112.9	S412	D410-S412 PolarHBondContact O-N 2.82Å
411	I	47.5	Very low	54.6	Low	104 Å²	104	75.8 Å²	75.8	53%	0.533	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-65.2	-22.2	-175.9	-68.6	165.6	0	0	0	113.1	S413	I411-S413 PolarHBondContact O-N 3.46Å; I411-S413 VanDerWaalsContact O-N 3.07Å
412	S	44.8	Very low	51.7	Low	97 Å²	97	77.5 Å²	77.5	68%	0.678	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-67.8	-8.5	-170.6	37.3	0	0	0	0	115.5	D410	D410-S412 PolarHBondContact O-N 2.82Å
413	S	47.9	Very low	48.9	Very low	79 Å²	79	85.6 Å²	85.6	55%	0.552	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-83.1	-5.9	-178.7	58.4	0	0	0	0	115.4	I411	I411-S413 PolarHBondContact O-N 3.46Å; I411-S413 VanDerWaalsContact O-N 3.07Å
414	L	45.4	Very low	46.1	Very low	42 Å²	42	89.4 Å²	89.4	22%	0.22	51%	0.506	C	S	.	.	S	Bend	trans	-114.3	-7.3	-170.7	-152.1	68.3	0	0	0	116.5	L331 V400 F404 Q416	L331-L414 HydrophobicContact CD2-CD2 4.23Å; V400-L414 HydrophobicContact CG2-CD2 4.42Å; F404-L414 HydrophobicContact CE2-CD2 4.34Å; F404-L414 HydrophobicContact CZ-CD2 4.07Å; L414-Q416 PolarHBondContact O-N 3.47Å
415	S	45.3	Very low	43.6	Very low	86 Å²	86	95.1 Å²	95.1	60%	0.601	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	2.6	-174.3	58.1	0	0	0	0	115.5
416	Q	39.1	Very low	41.3	Very low	177 Å²	177	99.5 Å²	99.5	83%	0.827	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.2	11.3	-169.1	-72.4	-173	-8.2	0	0	117.4	L414	L414-Q416 PolarHBondContact O-N 3.47Å
417	T	37	Very low	39.4	Very low	81 Å²	81	101.7 Å²	101.7	50%	0.497	57%	0.566	S	S	.	*			trans	-139.6	118.1	172.8	54.7	0	0	0	0	114.4
418	K	37.2	Very low	37.8	Very low	177 Å²	177	105.8 Å²	105.8	77%	0.77	59%	0.589	S	S	*	*			trans	-62.1	131.8	167.4	-70.9	-178	176.8	-179.6	0	109.5
419	I	42	Very low	36.2	Very low	22 Å²	22	109 Å²	109	11%	0.113	59%	0.589	C	S	.	*			trans	-87.6	105.1	170.4	-61	172.8	0	0	0	107.4	L327 F421	L327-I419 HydrophobicContact CD1-CD1 3.91Å; I419-F421 HydrophobicContact CB-CE2 3.96Å; I419-F421 HydrophobicContact CB-CZ 4.29Å; I419-F421 HydrophobicContact CG2-CD1 4.43Å; I419-F421 HydrophobicContact CG2-CD2 4.1Å; I419-F421 HydrophobicContact CG2-CE1 4.06Å; I419-F421 HydrophobicContact CG2-CE2 3.7Å; I419-F421 HydrophobicContact CG2-CG 4.46Å; I419-F421 HydrophobicContact CG2-CZ 3.68Å; I419-F421 VanDerWaalsContact O-CD2 3.24Å; I419-F421 WeakPolarHBondContact O-CD2 3.46Å; I419-F421 PolarHBondContact O-N 3.27Å
420	D	31.2	Very low	34.9	Very low	138 Å²	138	111.5 Å²	111.5	74%	0.738	61%	0.612	S	S	*	*			trans	-72.9	117.8	170.4	-82.7	-28.4	0	0	0	109.9	D422	D420-D422 VanDerWaalsContact C-N 3.33Å
421	F	34	Very low	33.9	Very low	57 Å²	57	112 Å²	112	25%	0.25	61%	0.614	C	S	.	*			trans	-90.3	14.7	-177.3	-78.2	-79.7	0	0	0	114	F254 L327 M392 I419 Q423	F254-F421 AromaticContact CE1-CE2 3.73Å; F254-F421 HydrophobicContact CE1-CE2 3.73Å; F254-F421 HydrophobicContact CE1-CZ 4.3Å; F254-F421 AromaticContact CZ-CE2 4Å; F254-F421 HydrophobicContact CZ-CE2 4Å; F254-F421 HydrophobicContact CZ-CZ 4.34Å; L327-F421 HydrophobicContact CB-CE1 4.45Å; L327-F421 HydrophobicContact CB-CZ 4.43Å; L327-F421 HydrophobicContact CD1-CZ 4.27Å; M392-F421 HydrophobicContact CE-CD1 4.19Å; M392-F421 HydrophobicContact CE-CE1 3.4Å; M392-F421 HydrophobicContact CE-CE2 4.09Å; M392-F421 HydrophobicContact CE-CZ 3.33Å; I419-F421 HydrophobicContact CB-CE2 3.96Å; I419-F421 HydrophobicContact CB-CZ 4.29Å; I419-F421 HydrophobicContact CG2-CD1 4.43Å; I419-F421 HydrophobicContact CG2-CD2 4.1Å; I419-F421 HydrophobicContact CG2-CE1 4.06Å; I419-F421 HydrophobicContact CG2-CE2 3.7Å; I419-F421 HydrophobicContact CG2-CG 4.46Å; I419-F421 HydrophobicContact CG2-CZ 3.68Å; I419-F421 VanDerWaalsContact O-CD2 3.24Å; I419-F421 WeakPolarHBondContact O-CD2 3.46Å; I419-F421 PolarHBondContact O-N 3.27Å; F421-Q423 PolarHBondContact O-N 2.74Å
422	D	26.7	Very low	32.8	Very low	111 Å²	111	116 Å²	116	59%	0.594	63%	0.631	S	S	*	*			trans	-65.6	133.5	-179.8	-158.4	-1.1	0	0	0	111.2	D420 S424	D420-D422 VanDerWaalsContact C-N 3.33Å; D422-S424 PolarHBondContact O-N 3.24Å; D422-S424 PolarHBondContact OD2-OG 2.81Å
423	Q	30.7	Very low	31.9	Very low	171 Å²	171	119.6 Å²	119.6	80%	0.799	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-0.4	-173.5	-70.8	-176.2	-1.6	0	0	112.9	F421	F421-Q423 PolarHBondContact O-N 2.74Å
424	S	28.4	Very low	30.7	Very low	79 Å²	79	123.6 Å²	123.6	55%	0.552	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	-5.4	-166.3	63.5	0	0	0	0	115.7	D422	D422-S424 PolarHBondContact O-N 3.24Å; D422-S424 PolarHBondContact OD2-OG 2.81Å
425	Q	24.1	Very low	29.6	Very low	137 Å²	137	129.1 Å²	129.1	64%	0.64	69%	0.686	S	S	*	*			trans	-133.6	86.8	-176.3	-60	-164.3	7.7	0	0	113.4	V427	Q425-V427 PolarHBondContact O-N 3.15Å
426	I	24.1	Very low	28.5	Very low	175 Å²	175	134.3 Å²	134.3	90%	0.897	70%	0.701	S	S	*	*			trans	-83.6	76.2	148.5	-57.5	173.5	0	0	0	105.8
427	V	24.6	Very low	27.8	Very low	97 Å²	97	130.8 Å²	130.8	59%	0.588	70%	0.696	S	S	*	*			trans	-117.7	120.1	160.1	-177.7	0	0	0	0	105.2	Q425 N429	Q425-V427 PolarHBondContact O-N 3.15Å; V427-N429 VanDerWaalsContact C-N 3.29Å; V427-N429 PolarHBondContact O-N 3.1Å
428	T	25	Very low	27	Very low	128 Å²	128	136 Å²	136	79%	0.785	72%	0.715	S	S	*	*			trans	-55.4	94.2	168.7	16.5	0	0	0	0	108.4	C430	T428-C430 PolarHBondContact O-N 2.68Å
429	N	23.2	Very low	26.4	Very low	139 Å²	139	133.1 Å²	133.1	74%	0.743	71%	0.712	S	S	*	*			trans	-65.9	90.6	167.4	-85.7	1.2	0	0	0	108.1	V427	V427-N429 VanDerWaalsContact C-N 3.29Å; V427-N429 PolarHBondContact O-N 3.1Å
430	C	26.7	Very low	25.4	Very low	110 Å²	110	139 Å²	139	74%	0.743	74%	0.744	S	S	*	*			trans	-101	40	161.8	-74.3	0	0	0	0	109.6	T428	T428-C430 PolarHBondContact O-N 2.68Å
431	D	26.7	Very low	24.9	Very low	146 Å²	146	137.9 Å²	137.9	78%	0.781	75%	0.745	S	S	*	*			trans	-142.8	75.9	178.1	-76.3	-44.3	0	0	0	109.5
432	Q	24.3	Very low	24.3	Very low	187 Å²	187	140.6 Å²	140.6	87%	0.874	77%	0.766	S	S	*	*			trans	-172.1	62.6	159.2	-105.3	171.9	36.5	0	0	109.9
433	L	26	Very low	24	Very low	172 Å²	172	140.9 Å²	140.9	90%	0.901	78%	0.777	S	S	*	*			trans	-144.8	63.2	159.2	-76.5	-179.5	0	0	0	108.1
434	N	22.2	Very low	23.5	Very low	164 Å²	164	138.3 Å²	138.3	88%	0.877	77%	0.773	S	S	*	*			trans	-130.9	76.4	162.2	-87.2	-13.9	0	0	0	106.4
435	D	23.9	Very low	23.2	Very low	158 Å²	158	139.7 Å²	139.7	85%	0.845	78%	0.78	S	S	*	*			trans	-134.6	138.7	154.8	-95	-30.9	0	0	0	108.9	S437	D435-S437 PolarHBondContact O-N 2.94Å
436	E	20.6	Very low	23.2	Very low	194 Å²	194	141.3 Å²	141.3	91%	0.907	79%	0.791	S	S	*	*			trans	-66.9	120.5	-156.4	-59.6	176.6	139.5	0	0	112.7
437	S	24.4	Very low	23.1	Very low	104 Å²	104	140.7 Å²	140.7	73%	0.727	78%	0.784	S	S	*	*			trans	-141.9	110.1	145.8	49.6	0	0	0	0	109.4	D435 V439	D435-S437 PolarHBondContact O-N 2.94Å; S437-V439 PolarHBondContact O-N 2.89Å
438	Q	21.8	Very low	22.9	Very low	190 Å²	190	145.6 Å²	145.6	89%	0.888	80%	0.798	S	S	*	*			trans	-55.5	104.7	174.4	-64.6	171.5	-0.2	0	0	109.8
439	V	23.8	Very low	22.6	Very low	116 Å²	116	151 Å²	151	70%	0.703	80%	0.804	S	S	*	*			trans	-116.6	95.2	164.1	-176.2	0	0	0	0	108.3	S437 C441	S437-V439 PolarHBondContact O-N 2.89Å; V439-C441 PolarHBondContact O-N 3.07Å
440	N	20.3	Very low	22.5	Very low	147 Å²	147	153.4 Å²	153.4	79%	0.786	81%	0.81	S	S	*	*			trans	-55.9	99.8	169.4	-80.8	-29.5	0	0	0	110.5	V442	N440-V442 PolarHBondContact O-N 2.85Å
441	C	21	Very low	22.3	Very low	114 Å²	114	153.8 Å²	153.8	77%	0.77	81%	0.814	S	S	*	*			trans	-87.5	88.2	161.5	-73.9	0	0	0	0	108.5	V439 S443	V439-C441 PolarHBondContact O-N 3.07Å; C441-S443 PolarHBondContact O-N 3.33Å
442	V	22	Very low	22	Very low	113 Å²	113	152.2 Å²	152.2	69%	0.685	82%	0.815	S	S	*	*			trans	-62.8	111.8	167.9	175	0	0	0	0	108.2	N440 T444	N440-V442 PolarHBondContact O-N 2.85Å; V442-T444 HydrophobicContact CG1-CG2 4.37Å; V442-T444 PolarHBondContact O-N 3.25Å
443	S	21.1	Very low	22	Very low	118 Å²	118	149.4 Å²	149.4	83%	0.825	81%	0.812	S	S	*	*			trans	-56.4	101.2	166	-48.3	0	0	0	0	109.3	C441	C441-S443 PolarHBondContact O-N 3.33Å
444	T	20.3	Very low	21.8	Very low	117 Å²	117	147.9 Å²	147.9	72%	0.718	81%	0.81	S	S	*	*			trans	-95.6	124	165.3	37.8	0	0	0	0	109.2	V442 I446	V442-T444 HydrophobicContact CG1-CG2 4.37Å; V442-T444 PolarHBondContact O-N 3.25Å; T444-I446 PolarHBondContact O-N 3.34Å
445	P	20.7	Very low	21.8	Very low	108 Å²	108	145.1 Å²	145.1	70%	0.701	80%	0.804	S	S	*	*			trans	-75.6	122.7	-175.4	27.1	-30.1	0	0	0	110.7	H447	P445-H447 PolarHBondContact O-N 3.43Å; P445-H447 VanDerWaalsContact O-N 3.07Å
446	I	24.2	Very low	21.6	Very low	170 Å²	170	144.8 Å²	144.8	87%	0.872	80%	0.802	S	S	*	*			trans	-72.9	103.9	173	-62.6	174.5	0	0	0	108.1	T444 K448	T444-I446 PolarHBondContact O-N 3.34Å; I446-K448 PolarHBondContact O-N 2.71Å
447	H	22.1	Very low	21.7	Very low	163 Å²	163	143 Å²	143	76%	0.755	80%	0.796	S	S	*	*			trans	-52	127	171.6	-85.8	-93.1	0	0	0	111.7	P445 R449	P445-H447 PolarHBondContact O-N 3.43Å; P445-H447 VanDerWaalsContact O-N 3.07Å; H447-R449 PolarHBondContact O-N 2.85Å; H447-R449 VanDerWaalsContact O-N 3.08Å
448	K	19.6	Very low	21.4	Very low	199 Å²	199	143.1 Å²	143.1	87%	0.865	80%	0.798	S	S	*	*			trans	-50.3	107.4	163.7	-69.3	175.6	176.3	178.8	0	109.5	I446	I446-K448 PolarHBondContact O-N 2.71Å
449	R	19.8	Very low	21.4	Very low	242 Å²	242	140 Å²	140	91%	0.913	80%	0.795	S	S	*	*			trans	-83.7	112.1	164	-76.5	-174.2	-174.8	171.3	2.8	108.2	H447 S451	H447-R449 PolarHBondContact O-N 2.85Å; H447-R449 VanDerWaalsContact O-N 3.08Å; R449-S451 PolarHBondContact O-N 2.81Å
450	H	21.2	Very low	21.2	Very low	190 Å²	190	141 Å²	141	88%	0.88	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-54.6	118.1	165.8	-72.7	-86	0	0	0	109.5
451	S	22.8	Very low	21.1	Very low	118 Å²	118	138.9 Å²	138.9	83%	0.825	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-100.7	125	158.8	44.8	0	0	0	0	107.8	R449	R449-S451 PolarHBondContact O-N 2.81Å
452	S	20.7	Very low	21.1	Very low	113 Å²	113	139.6 Å²	139.6	79%	0.79	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-75.2	158.9	173.4	20.7	0	0	0	0	111
453	P	24.1	Very low	20.9	Very low	127 Å²	127	143.8 Å²	143.8	83%	0.825	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-86.3	150.1	-148.4	18.3	-8.4	0	0	0	114.9
454	V	22.1	Very low	20.9	Very low	141 Å²	141	150.1 Å²	150.1	86%	0.855	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-59.1	128.6	170.6	176	0	0	0	0	110.4
455	S	21.7	Very low	20.8	Very low	106 Å²	106	148.4 Å²	148.4	74%	0.741	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-97.8	133.5	163.7	55.7	0	0	0	0	110.2
456	D	18.9	Very low	20.7	Very low	151 Å²	151	152 Å²	152	81%	0.807	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-49.6	131.1	-179.8	-59.8	-56.8	0	0	0	114.9
457	I	23.7	Very low	20.5	Very low	155 Å²	155	155.2 Å²	155.2	80%	0.795	82%	0.824	S	S	*	*			trans	-135.3	96.1	150.2	-60.3	-179.4	0	0	0	108.2
458	S	18	Very low	20.2	Very low	108 Å²	108	152 Å²	152	76%	0.755	82%	0.82	S	S	*	*			trans	-65.2	124.5	155	54.8	0	0	0	0	109.7
459	C	21	Very low	20.3	Very low	124 Å²	124	152.4 Å²	152.4	84%	0.838	82%	0.818	S	S	*	*			trans	-144.3	128.6	155.1	-95.5	0	0	0	0	110.8
460	V	19.4	Very low	20.3	Very low	138 Å²	138	146.4 Å²	146.4	84%	0.836	80%	0.804	S	S	*	*			trans	-79	152.4	-169.8	167.8	0	0	0	0	111.7
461	S	19	Very low	20.2	Very low	101 Å²	101	145.6 Å²	145.6	71%	0.706	80%	0.8	S	S	*	*			trans	-52.2	156.4	174.2	-33.4	0	0	0	0	115.6
462	P	21.8	Very low	20.1	Very low	129 Å²	129	146.6 Å²	146.6	84%	0.838	80%	0.802	S	S	*	*			trans	-109.3	118.6	149.4	19.8	-2.3	0	0	0	111.7
463	K	17.8	Very low	20.3	Very low	202 Å²	202	147.1 Å²	147.1	88%	0.878	80%	0.802	S	S	*	*			trans	-85.1	130.3	163	-72.1	176	174.1	176.9	0	110.1
464	R	19.3	Very low	20.2	Very low	250 Å²	250	146.4 Å²	146.4	94%	0.943	80%	0.8	S	S	*	*			trans	165.7	147.8	147.3	-114.9	177.6	161.7	156.2	-4.9	108.4
465	A	19.7	Very low	20.3	Very low	82 Å²	82	147.2 Å²	147.2	68%	0.678	80%	0.799	S	S	*	*			cis	-157.1	160.4	13.7	0	0	0	0	0	110.5
466	H	17.3	Very low	20.2	Very low	184 Å²	184	151.6 Å²	151.6	85%	0.852	81%	0.808	S	S	*	*			trans	-59.4	146.1	171.6	-67.5	-101.1	0	0	0	113.7
467	Y	19.9	Very low	20.5	Very low	237 Å²	237	153.3 Å²	153.3	93%	0.929	81%	0.808	S	S	*	*			trans	-131.7	125.7	145.1	-91.5	-82.5	0	0	0	109.3
468	S	16.7	Very low	20.5	Very low	96 Å²	96	153.4 Å²	153.4	67%	0.671	81%	0.81	S	S	*	*			trans	-102.5	145	169.4	47.3	0	0	0	0	109
469	Y	21.2	Very low	20.9	Very low	207 Å²	207	155.2 Å²	155.2	81%	0.812	81%	0.81	S	S	*	*				-175.1	130.4	129.8	-117.4	-97.9	0	0	0	112.4
470	D	20.7	Very low	21.2	Very low	116 Å²	116	156.2 Å²	156.2	62%	0.62	81%	0.805	S	S	*	*			trans	59	107.8	143.8	-67.9	1.1	0	0	0	126.3
471	Q	18.1	Very low	21.4	Very low	172 Å²	172	154.1 Å²	154.1	80%	0.804	79%	0.79	S	S	*	*				30.8	117.7	112.4	-60	-177.3	-1.6	0	0	120.5
472	T	21.6	Very low	22.1	Very low	140 Å²	140	155.7 Å²	155.7	86%	0.859	79%	0.789	S	S	*	*				-169	151.2	106.4	31.4	0	0	0	0	110.9
473	P	25.1	Very low	22.4	Very low	124 Å²	124	154 Å²	154	81%	0.805	78%	0.777	S	S	*	*			trans	-108.4	135.1	-162.5	36	-23.9	0	0	0	113.6
474	S	21.7	Very low	22.8	Very low	112 Å²	112	150.1 Å²	150.1	78%	0.783	77%	0.77	S	S	*	*			trans	-155.3	118.5	162.4	54.5	0	0	0	0	112.3
475	L	23.3	Very low	23.1	Very low	158 Å²	158	146 Å²	146	83%	0.827	77%	0.766	S	S	*	*			trans	69.8	87.7	158.2	-58.8	169.7	0	0	0	116.9	F477	L475-F477 PolarHBondContact O-N 3.44Å
476	Q	19.8	Very low	23.4	Very low	197 Å²	197	150 Å²	150	92%	0.921	77%	0.771	S	S	*	*			trans	-54.5	112.3	164	-104.1	159.9	-46.5	0	0	110.7
477	F	24.9	Very low	23.6	Very low	188 Å²	188	148.8 Å²	148.8	83%	0.825	77%	0.77	S	S	*	*			trans	-89.1	130.8	155.6	-76.8	-85.9	0	0	0	107.9	L475 I479	L475-F477 PolarHBondContact O-N 3.44Å; F477-I479 PolarHBondContact O-N 2.97Å
478	D	24.6	Very low	23.6	Very low	157 Å²	157	142.7 Å²	142.7	84%	0.84	76%	0.762	S	S	*	*			trans	-58.7	105.7	-176.1	-67.3	-39	0	0	0	111.3	I480	D478-I480 PolarHBondContact O-N 2.88Å
479	I	25.9	Very low	23.9	Very low	146 Å²	146	144.5 Å²	144.5	75%	0.749	77%	0.77	S	S	*	*			trans	-73.7	113.8	159.7	-64.4	171.6	0	0	0	105.3	F477 D481	F477-I479 PolarHBondContact O-N 2.97Å; I479-D481 PolarHBondContact O-N 3.28Å
480	I	27.8	Very low	24.1	Very low	144 Å²	144	142.5 Å²	142.5	74%	0.738	77%	0.767	S	S	*	*			trans	-67.8	92.4	166.4	-59.6	173.1	0	0	0	106.5	D478 L482	D478-I480 PolarHBondContact O-N 2.88Å; I480-L482 HydrophobicContact CG2-CD1 4.14Å; I480-L482 PolarHBondContact O-N 3.32Å
481	D	24.3	Very low	24	Very low	95 Å²	95	145.1 Å²	145.1	51%	0.508	78%	0.776	S	S	.	*			trans	-80.2	110.1	173.8	-162.7	-17.9	0	0	0	108.6	I479 T483	I479-D481 PolarHBondContact O-N 3.28Å; D481-T483 VanDerWaalsContact CG-OG1 3.32Å; D481-T483 PolarHBondContact O-N 3.04Å; D481-T483 PolarHBondContact OD1-N 3.18Å; D481-T483 PolarHBondContact OD1-OG1 2.98Å
482	L	33.4	Very low	24	Very low	133 Å²	133	142.1 Å²	142.1	70%	0.696	77%	0.774	S	S	*	*	G	3₁₀ helix	trans	-76.2	2.8	-177.7	-90	99.5	0	0	0	113.6	I480	I480-L482 HydrophobicContact CG2-CD1 4.14Å; I480-L482 PolarHBondContact O-N 3.32Å
483	T	28.4	Very low	23.9	Very low	94 Å²	94	143.5 Å²	143.5	58%	0.577	78%	0.776	S	S	*	*	G	3₁₀ helix	trans	-82.7	-12.3	-177.1	57.8	0	0	0	0	114.6	D481 L485	D481-T483 VanDerWaalsContact CG-OG1 3.32Å; D481-T483 PolarHBondContact O-N 3.04Å; D481-T483 PolarHBondContact OD1-N 3.18Å; D481-T483 PolarHBondContact OD1-OG1 2.98Å; T483-L485 VanDerWaalsContact C-N 3.33Å; T483-L485 PolarHBondContact O-N 3.19Å
484	T	25.3	Very low	23.6	Very low	120 Å²	120	145.4 Å²	145.4	74%	0.736	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-85.1	8.5	-175.1	51.7	0	0	0	0	115.8
485	L	26.2	Very low	23.6	Very low	163 Å²	163	147 Å²	147	85%	0.853	78%	0.784	S	S	*	*	G	3₁₀ helix	trans	-96.3	2.7	174.7	-101.6	115.8	0	0	0	114.9	T483	T483-L485 VanDerWaalsContact C-N 3.33Å; T483-L485 PolarHBondContact O-N 3.19Å
486	E	24.6	Very low	23.4	Very low	168 Å²	168	148 Å²	148	79%	0.785	79%	0.785	S	S	*	*	S	Bend	trans	-96.1	-3.8	-175.1	-69.4	-173.6	161.6	0	0	115.4
487	N	22.3	Very low	23.3	Very low	157 Å²	157	147.7 Å²	147.7	84%	0.84	78%	0.783	S	S	*	*			trans	-113.1	70.8	-177.2	-73.8	-23	0	0	0	113.2
488	S	19.9	Very low	23	Very low	109 Å²	109	146.5 Å²	146.5	76%	0.762	78%	0.784	S	S	*	*			trans	-165.5	87.8	158.8	-78.1	0	0	0	0	111
489	T	22.9	Very low	22.6	Very low	134 Å²	134	144 Å²	144	82%	0.822	78%	0.779	S	S	*	*	S	Bend	trans	172	109.3	133.5	29.8	0	0	0	0	112.6
490	H	24.5	Very low	22.2	Very low	165 Å²	165	143.3 Å²	143.3	76%	0.764	79%	0.785	S	S	*	*			trans	33.1	109.9	147.7	-61.8	-78.4	0	0	0	120.7
491	Q	19.1	Very low	21.8	Very low	172 Å²	172	144.6 Å²	144.6	80%	0.804	79%	0.788	S	S	*	*				65.7	93.5	82.7	-76.9	-173.3	-11.4	0	0	116
492	S	18.5	Very low	21.6	Very low	109 Å²	109	146.8 Å²	146.8	76%	0.762	80%	0.8	S	S	*	*				44.5	121	122.1	-42.6	0	0	0	0	120.2
493	N	20.4	Very low	21.1	Very low	169 Å²	169	146.5 Å²	146.5	90%	0.904	81%	0.809	S	S	*	*			trans	-157	127.4	135.9	-95.1	-26.6	0	0	0	112.6
494	N	18.6	Very low	20.6	Very low	163 Å²	163	150.9 Å²	150.9	87%	0.872	82%	0.823	S	S	*	*			trans	-66	140.5	174.7	-68.3	-40.5	0	0	0	112.2
495	V	22	Very low	20.5	Very low	146 Å²	146	150.8 Å²	150.8	89%	0.885	82%	0.824	S	S	*	*			trans	-135.7	126.3	155.2	179.9	0	0	0	0	109.4
496	Q	18.3	Very low	20.2	Very low	180 Å²	180	147.9 Å²	147.9	84%	0.841	82%	0.818	S	S	*	*			trans	-73.1	154.5	-178.7	-87.8	168.1	-45	0	0	113.9
497	E	16.8	Very low	20	Very low	190 Å²	190	146.9 Å²	146.9	89%	0.888	82%	0.818	S	S	*	*			trans	-49.8	137.5	174.7	-64.6	161.8	141.2	0	0	114.7
498	I	18.5	Very low	20.1	Very low	163 Å²	163	148.1 Å²	148.1	84%	0.836	82%	0.823	S	S	*	*			trans	-125.1	116.8	156.4	-63.9	176.4	0	0	0	108.2
499	S	16.1	Very low	20	Very low	105 Å²	105	152 Å²	152	73%	0.734	83%	0.826	S	S	*	*			trans	-70.6	134.2	171.3	47.8	0	0	0	0	112.6
500	C	19.4	Very low	20.1	Very low	131 Å²	131	151.8 Å²	151.8	89%	0.885	83%	0.825	S	S	*	*			trans	-139	124.8	155.6	-79.8	0	0	0	0	109.6
501	E	17.4	Very low	20	Very low	171 Å²	171	150.5 Å²	150.5	80%	0.799	82%	0.824	S	S	*	*			trans	-84.4	156.9	-171.1	-60.3	176.6	144.8	0	0	113.8
502	N	20.1	Very low	20.2	Very low	141 Å²	141	151 Å²	151	75%	0.754	83%	0.826	S	S	*	*			trans	68.5	100.3	145.5	-65.7	-26.6	0	0	0	120.6
503	S	23.4	Very low	20.5	Very low	126 Å²	126	154.4 Å²	154.4	88%	0.881	84%	0.835	S	S	*	*				-162	114.5	116.4	27.8	0	0	0	0	111.4
504	Q	18.2	Very low	20.6	Very low	186 Å²	186	155.5 Å²	155.5	87%	0.869	83%	0.834	S	S	*	*			trans	-74.3	151.3	168.1	-64.4	-172.8	-29.9	0	0	110
505	P	23.3	Very low	21	Very low	118 Å²	118	156.6 Å²	156.6	77%	0.766	83%	0.834	S	S	*	*				-145.5	152	86.6	34.3	-15.2	0	0	0	117.3
506	S	20	Very low	21	Very low	103 Å²	103	155.5 Å²	155.5	72%	0.72	83%	0.833	S	S	*	*			trans	64.7	90.5	144.5	59.1	0	0	0	0	121.7
507	N	20.2	Very low	21.3	Very low	146 Å²	146	158.5 Å²	158.5	78%	0.781	84%	0.837	S	S	*	*				30.6	107	120.3	-72.4	-38.4	0	0	0	119.7
508	L	24.2	Very low	21.8	Very low	183 Å²	183	154.3 Å²	154.3	96%	0.958	83%	0.828	S	S	*	*			trans	-142.3	112.8	133	-86.3	171	0	0	0	108.7
509	K	18.7	Very low	22	Very low	191 Å²	191	155.6 Å²	155.6	83%	0.83	83%	0.831	S	S	*	*			trans	-83.7	138.7	168.9	-69.6	176.3	174.4	-179.7	0	108.7
510	V	24.1	Very low	22.5	Very low	130 Å²	130	160.3 Å²	160.3	79%	0.788	83%	0.834	S	S	*	*				-171.4	111.7	129.4	168.5	0	0	0	0	108.9
511	D	23.4	Very low	22.6	Very low	138 Å²	138	163 Å²	163	74%	0.738	83%	0.833	S	S	*	*			trans	53.4	99.7	140.1	-53	-20	0	0	0	123.3
512	Q	22.2	Very low	23	Very low	182 Å²	182	161.6 Å²	161.6	85%	0.85	83%	0.83	S	S	*	*				28.8	101.1	119.5	-61.5	-178.2	8.6	0	0	119.2
513	L	25.9	Very low	23.2	Very low	181 Å²	181	160.5 Å²	160.5	95%	0.948	83%	0.828	S	S	*	*			trans	-137.5	104.7	140.2	-80.9	172.5	0	0	0	107.9
514	E	21.2	Very low	23.4	Very low	192 Å²	192	162.4 Å²	162.4	90%	0.897	82%	0.823	S	S	*	*			trans	-82.7	117.8	173.1	-67.6	-156.6	162	0	0	110.2
515	E	27.3	Very low	23.9	Very low	186 Å²	186	159.9 Å²	159.9	87%	0.869	82%	0.815	S	S	*	*			trans	-133.5	109.1	159.6	-95.8	-178.4	172.3	0	0	109.8	R517	E515-R517 PolarHBondContact O-N 2.82Å
516	S	23.4	Very low	23.9	Very low	122 Å²	122	163 Å²	163	85%	0.853	82%	0.82	S	S	*	*			trans	-15.1	108.5	169.4	49.5	0	0	0	0	117
517	R	23.4	Very low	24.3	Very low	244 Å²	244	164.6 Å²	164.6	92%	0.921	82%	0.819	S	S	*	*			trans	-83.2	124.3	164.2	-76.6	-178.2	173.8	-175.7	-1.6	109.8	E515 E519	E515-R517 PolarHBondContact O-N 2.82Å; R517-E519 PolarHBondContact O-N 2.88Å
518	S	27.2	Very low	24.6	Very low	102 Å²	102	166.6 Å²	166.6	71%	0.713	82%	0.822	S	S	*	*			trans	-68.6	117.6	166.8	55	0	0	0	0	109.6	Y520	S518-Y520 PolarHBondContact O-N 2.86Å; S518-Y520 VanDerWaalsContact O-N 3.12Å
519	E	22.5	Very low	24.7	Very low	190 Å²	190	167.9 Å²	167.9	89%	0.888	82%	0.82	S	S	*	*			trans	-58.5	107	173.9	-71.5	169.7	159.6	0	0	110.5	R517	R517-E519 PolarHBondContact O-N 2.88Å
520	Y	26.1	Very low	25.2	Very low	204 Å²	204	163.3 Å²	163.3	80%	0.8	81%	0.812	S	S	*	*			trans	-118.4	112.4	143.9	-77	-81.1	0	0	0	105.4	S518 I522	S518-Y520 PolarHBondContact O-N 2.86Å; S518-Y520 VanDerWaalsContact O-N 3.12Å; Y520-I522 PolarHBondContact O-N 2.79Å
521	E	23.2	Very low	25.4	Very low	187 Å²	187	164.3 Å²	164.3	87%	0.874	81%	0.813	S	S	*	*			trans	-64.5	98.9	175.9	-150.1	170.2	-164.8	0	0	107.6	V523	E521-V523 PolarHBondContact O-N 3.17Å; E521-V523 VanDerWaalsContact O-N 3.15Å
522	I	25.3	Very low	25.9	Very low	142 Å²	142	164.4 Å²	164.4	73%	0.728	81%	0.813	S	S	*	*			trans	-71.5	106.6	167.9	-62.4	172.5	0	0	0	104.5	Y520 E524	Y520-I522 PolarHBondContact O-N 2.79Å; I522-E524 HydrophobicContact CG2-CG 4.22Å; I522-E524 PolarHBondContact O-N 2.76Å
523	V	24.5	Very low	26.4	Very low	117 Å²	117	163.2 Å²	163.2	71%	0.709	81%	0.813	S	S	*	*			trans	-61.9	89.9	167.1	-177.5	0	0	0	0	106.7	E521 D525	E521-V523 PolarHBondContact O-N 3.17Å; E521-V523 VanDerWaalsContact O-N 3.15Å; V523-D525 VanDerWaalsContact C-N 3.33Å; V523-D525 PolarHBondContact O-N 3.39Å
524	E	27	Very low	26.8	Very low	167 Å²	167	162.2 Å²	162.2	78%	0.78	81%	0.807	S	S	*	*			trans	-70.2	95.3	166.1	-79.5	-175.6	157.5	0	0	106.9	I522 Q526	I522-E524 HydrophobicContact CG2-CG 4.22Å; I522-E524 PolarHBondContact O-N 2.76Å; E524-Q526 PolarHBondContact O-N 3.49Å
525	D	28.4	Very low	27.4	Very low	132 Å²	132	161.5 Å²	161.5	71%	0.706	80%	0.804	S	S	*	*			trans	-52.5	107.6	168.8	-83.3	-30.4	0	0	0	109.2	V523 L527	V523-D525 VanDerWaalsContact C-N 3.33Å; V523-D525 PolarHBondContact O-N 3.39Å; D525-L527 VanDerWaalsContact C-N 3.34Å; D525-L527 PolarHBondContact O-N 3.29Å
526	Q	23.9	Very low	27.6	Very low	185 Å²	185	158 Å²	158	86%	0.864	80%	0.801	S	S	*	*			trans	-63.1	90.2	169.8	-64.9	175.9	-2.9	0	0	109	E524	E524-Q526 PolarHBondContact O-N 3.49Å
527	L	27.7	Very low	28.4	Very low	136 Å²	136	159.2 Å²	159.2	71%	0.712	80%	0.796	S	S	*	*			trans	-126.8	96.3	170	-80.1	169.1	0	0	0	110.2	D525	D525-L527 VanDerWaalsContact C-N 3.34Å; D525-L527 PolarHBondContact O-N 3.29Å
528	F	27	Very low	29.1	Very low	188 Å²	188	156.1 Å²	156.1	83%	0.825	79%	0.792	S	S	*	*			trans	14.8	111.5	148.3	-72.6	-89.1	0	0	0	116.6	S530	F528-S530 PolarHBondContact O-N 2.86Å
529	F	25.7	Very low	30.1	Very low	209 Å²	209	157 Å²	157	92%	0.917	79%	0.792	S	S	*	*			trans	-54	100	155.4	-71.9	-92.6	0	0	0	109.1
530	S	29.2	Very low	31.5	Very low	96 Å²	96	155.5 Å²	155.5	67%	0.671	79%	0.791	S	S	*	*			trans	-99	115.4	155.7	31.2	0	0	0	0	107.4	F528 N532	F528-S530 PolarHBondContact O-N 2.86Å; S530-N532 VanDerWaalsContact C-N 3.3Å; S530-N532 PolarHBondContact O-N 3.04Å
531	D	29.3	Very low	33.2	Very low	150 Å²	150	152.5 Å²	152.5	80%	0.802	78%	0.782	S	S	*	*			trans	-52.8	86.7	176.6	-68.6	-43	0	0	0	111.1	N533	D531-N533 PolarHBondContact O-N 2.8Å; D531-N533 VanDerWaalsContact O-N 3.15Å
532	N	34.1	Very low	35.4	Very low	141 Å²	141	145.9 Å²	145.9	75%	0.754	76%	0.757	S	S	*	*			trans	-77.4	98.5	159.7	-78.2	-31	0	0	0	106.4	S530 L534	S530-N532 VanDerWaalsContact C-N 3.3Å; S530-N532 PolarHBondContact O-N 3.04Å; N532-L534 PolarHBondContact O-N 2.97Å
533	N	33	Very low	37.4	Very low	157 Å²	157	144.1 Å²	144.1	84%	0.84	75%	0.746	S	S	*	*			trans	-51.8	81.8	162.7	-84.8	-36	0	0	0	109.6	D531 Q535	D531-N533 PolarHBondContact O-N 2.8Å; D531-N533 VanDerWaalsContact O-N 3.15Å; N533-Q535 VanDerWaalsContact C-N 3.31Å; N533-Q535 PolarHBondContact O-N 3.49Å
534	L	32.9	Very low	39.8	Very low	159 Å²	159	143.8 Å²	143.8	83%	0.832	74%	0.737	S	S	*	*			trans	-70.4	95.3	164	-79.8	157.3	0	0	0	105.6	N532 S536	N532-L534 PolarHBondContact O-N 2.97Å; L534-S536 VanDerWaalsContact C-N 3.35Å; L534-S536 PolarHBondContact O-N 3.22Å
535	Q	33.8	Very low	41.9	Very low	177 Å²	177	140.7 Å²	140.7	83%	0.827	73%	0.726	S	S	*	*			trans	-58.6	104.1	163.7	-91.2	-177.5	-21.1	0	0	107.3	N533 I537	N533-Q535 VanDerWaalsContact C-N 3.31Å; N533-Q535 PolarHBondContact O-N 3.49Å; Q535-I537 PolarHBondContact O-N 2.94Å
536	S	31.8	Very low	44	Very low	114 Å²	114	137.2 Å²	137.2	80%	0.797	71%	0.707	S	S	*	*			trans	-65	104.1	167.1	52.4	0	0	0	0	107.6	L534 E538	L534-S536 VanDerWaalsContact C-N 3.35Å; L534-S536 PolarHBondContact O-N 3.22Å; S536-E538 PolarHBondContact O-N 2.87Å
537	I	40.8	Very low	46.5	Very low	146 Å²	146	135.2 Å²	135.2	75%	0.749	69%	0.692	S	S	*	*			trans	-78	108.9	166.8	-62.5	170	0	0	0	106.1	Q535 V539	Q535-I537 PolarHBondContact O-N 2.94Å; I537-V539 HydrophobicContact CG2-CG2 4.01Å
538	E	37.7	Very low	48.7	Very low	179 Å²	179	131.7 Å²	131.7	84%	0.836	67%	0.673	S	S	*	*			trans	-87.3	108.6	174.7	-154.2	172	-155	0	0	107.9	S536	S536-E538 PolarHBondContact O-N 2.87Å
539	V	47.9	Very low	50.9	Low	120 Å²	120	128.4 Å²	128.4	73%	0.727	66%	0.661	S	S	*	*			trans	-94.5	116.8	175.4	-174	0	0	0	0	107.8	I537 F541	I537-V539 HydrophobicContact CG2-CG2 4.01Å; V539-F541 PolarHBondContact O-N 3.32Å
540	N	52.6	Low	53	Low	160 Å²	160	126.2 Å²	126.2	86%	0.856	65%	0.646	S	S	*	*			trans	-63.9	107.7	174.1	-81	-35.2	0	0	0	110
541	F	61.6	Low	55	Low	140 Å²	140	127 Å²	127	61%	0.614	64%	0.638	S	S	*	*			trans	-109	117.5	178.5	177.5	-92.9	0	0	0	109.3	V539 M543 L546	V539-F541 PolarHBondContact O-N 3.32Å; F541-M543 HydrophobicContact CE1-CG 4.06Å; F541-M543 HydrophobicContact CE1-SD 3.65Å; F541-M543 HydrophobicContact CZ-SD 4.03Å; F541-L546 HydrophobicContact CE2-CD1 3.44Å; F541-L546 VanDerWaalsContact CE2-CD1 3.44Å; F541-L546 HydrophobicContact CZ-CD1 3.73Å
542	S	70.4	Confident	57	Low	49 Å²	49	126.3 Å²	126.3	34%	0.343	63%	0.63	S	S	.	*			trans	-109.8	119.7	175.8	167.8	0	0	0	0	109.7	E544 N545 L546	S542-E544 PolarHBondContact O-N 3.4Å; S542-E544 WeakPolarHBondContact OG-CB 3.43Å; S542-E544 PolarHBondContact OG-N 2.91Å; S542-N545 PolarHBondContact O-N 2.92Å; S542-N545 VanDerWaalsContact O-N 3.13Å; S542-N545 PolarHBondContact OG-N 3.12Å; S542-L546 PolarHBondContact O-N 3.45Å
543	M	66.8	Low	58.6	Low	104 Å²	104	122 Å²	122	51%	0.512	61%	0.606	S	S	.	*	H	α-helix	trans	-58	-31.7	172.3	-80.4	-62.9	-62.2	0	0	112	F541 R547	F541-M543 HydrophobicContact CE1-CG 4.06Å; F541-M543 HydrophobicContact CE1-SD 3.65Å; F541-M543 HydrophobicContact CZ-SD 4.03Å; M543-R547 VanDerWaalsContact O-CB 3.29Å; M543-R547 WeakPolarHBondContact O-CB 3.29Å; M543-R547 VanDerWaalsContact O-CG 3.25Å; M543-R547 WeakPolarHBondContact O-CG 3.41Å; M543-R547 PolarHBondContact O-N 3.06Å
544	E	73.5	Confident	60.2	Low	110 Å²	110	119.4 Å²	119.4	51%	0.514	59%	0.592	S	S	.	*	H	α-helix	trans	-67.2	-46	176.4	-155	71.2	-153.4	0	0	110.3	S542 L546 R547 N548	S542-E544 PolarHBondContact O-N 3.4Å; S542-E544 WeakPolarHBondContact OG-CB 3.43Å; S542-E544 PolarHBondContact OG-N 2.91Å; E544-L546 PolarHBondContact O-N 3.16Å; E544-R547 PolarHBondContact O-N 3.42Å; E544-N548 WeakPolarHBondContact O-CB 3.46Å; E544-N548 PolarHBondContact O-N 3.28Å; E544-N548 PolarHBondContact O-ND2 3.4Å
545	N	72.8	Confident	61.5	Low	103 Å²	103	121.4 Å²	121.4	55%	0.551	59%	0.59	S	S	*	*	H	α-helix	trans	-63.3	-42.1	176.6	-76.7	-8.8	0	0	0	111.7	S542 N548 Q549	S542-N545 PolarHBondContact O-N 2.92Å; S542-N545 VanDerWaalsContact O-N 3.13Å; S542-N545 PolarHBondContact OG-N 3.12Å; N545-N548 PolarHBondContact O-N 3.44Å; N545-Q549 WeakPolarHBondContact O-CB 3.34Å; N545-Q549 WeakPolarHBondContact O-CG 3.24Å; N545-Q549 PolarHBondContact O-N 3.3Å
546	L	72.5	Confident	62.5	Low	59 Å²	59	117 Å²	117	31%	0.309	58%	0.579	S	S	.	*	H	α-helix	trans	-67.4	-41	178.6	-165.6	136.5	0	0	0	111.6	F541 S542 E544 N548 Q549 W550	F541-L546 HydrophobicContact CE2-CD1 3.44Å; F541-L546 VanDerWaalsContact CE2-CD1 3.44Å; F541-L546 HydrophobicContact CZ-CD1 3.73Å; S542-L546 PolarHBondContact O-N 3.45Å; E544-L546 PolarHBondContact O-N 3.16Å; L546-N548 VanDerWaalsContact C-N 3.31Å; L546-N548 PolarHBondContact O-N 3.21Å; L546-Q549 PolarHBondContact O-N 3.43Å; L546-W550 WeakPolarHBondContact O-CB 3.49Å; L546-W550 PolarHBondContact O-N 2.81Å
547	R	75.1	Confident	63.2	Low	142 Å²	142	115.4 Å²	115.4	54%	0.536	56%	0.56	S	S	.	*	H	α-helix	trans	-61.1	-40.1	171.3	-79.7	176.2	175.9	173.5	-0.6	111.9	M543 E544 W550 K551	M543-R547 VanDerWaalsContact O-CB 3.29Å; M543-R547 WeakPolarHBondContact O-CB 3.29Å; M543-R547 VanDerWaalsContact O-CG 3.25Å; M543-R547 WeakPolarHBondContact O-CG 3.41Å; M543-R547 PolarHBondContact O-N 3.06Å; E544-R547 PolarHBondContact O-N 3.42Å; R547-W550 PolarHBondContact O-N 2.86Å; R547-K551 WeakPolarHBondContact O-CB 3.26Å; R547-K551 VanDerWaalsContact O-CG 3.29Å; R547-K551 WeakPolarHBondContact O-CG 3Å; R547-K551 PolarHBondContact O-N 2.85Å
548	N	73.5	Confident	63.2	Low	62 Å²	62	114 Å²	114	33%	0.332	56%	0.561	S	S	.	*	H	α-helix	trans	-69.4	-41.8	178.6	-70.7	-22.3	0	0	0	111.6	E544 N545 L546 K551 Q552	E544-N548 WeakPolarHBondContact O-CB 3.46Å; E544-N548 PolarHBondContact O-N 3.28Å; E544-N548 PolarHBondContact O-ND2 3.4Å; N545-N548 PolarHBondContact O-N 3.44Å; L546-N548 VanDerWaalsContact C-N 3.31Å; L546-N548 PolarHBondContact O-N 3.21Å; N548-K551 PolarHBondContact O-N 2.86Å; N548-Q552 WeakPolarHBondContact O-CB 3.22Å; N548-Q552 WeakPolarHBondContact O-CG 3.29Å; N548-Q552 PolarHBondContact O-N 3.48Å
549	Q	74.6	Confident	63.3	Low	119 Å²	119	112.8 Å²	112.8	56%	0.556	56%	0.558	S	S	*	*	H	α-helix	trans	-61.8	-44.7	171.7	-77.8	-176.5	-11.7	0	0	111.3	N545 L546 K551 Q552 I553	N545-Q549 WeakPolarHBondContact O-CB 3.34Å; N545-Q549 WeakPolarHBondContact O-CG 3.24Å; N545-Q549 PolarHBondContact O-N 3.3Å; L546-Q549 PolarHBondContact O-N 3.43Å; Q549-K551 PolarHBondContact O-N 3.36Å; Q549-Q552 WeakPolarHBondContact O-CB 3.41Å; Q549-Q552 PolarHBondContact O-N 3.13Å; Q549-I553 WeakPolarHBondContact O-CB 3.41Å; Q549-I553 VanDerWaalsContact O-CG1 3.25Å; Q549-I553 WeakPolarHBondContact O-CG1 3.45Å; Q549-I553 PolarHBondContact O-N 3.44Å
550	W	68.1	Low	62.6	Low	163 Å²	163	112.6 Å²	112.6	62%	0.617	56%	0.562	S	S	*	*	H	α-helix	trans	-62.6	-40.4	175	-97.4	47.2	0	0	0	112.7	L546 R547 I553 L554	L546-W550 WeakPolarHBondContact O-CB 3.49Å; L546-W550 PolarHBondContact O-N 2.81Å; R547-W550 PolarHBondContact O-N 2.86Å; W550-I553 PolarHBondContact O-N 2.85Å; W550-L554 WeakPolarHBondContact O-CB 3.4Å; W550-L554 WeakPolarHBondContact O-CD1 3.3Å; W550-L554 VanDerWaalsContact O-CG 3.31Å; W550-L554 WeakPolarHBondContact O-CG 3.48Å; W550-L554 PolarHBondContact O-N 3.43Å
551	K	73.3	Confident	61.5	Low	112 Å²	112	112.1 Å²	112.1	49%	0.487	56%	0.56	S	S	.	*	H	α-helix	trans	-61.5	-46.8	172.4	-78.9	175.7	-178.8	177.7	0	110.7	R547 N548 Q549 I553 L554 Y555	R547-K551 WeakPolarHBondContact O-CB 3.26Å; R547-K551 VanDerWaalsContact O-CG 3.29Å; R547-K551 WeakPolarHBondContact O-CG 3Å; R547-K551 PolarHBondContact O-N 2.85Å; N548-K551 PolarHBondContact O-N 2.86Å; Q549-K551 PolarHBondContact O-N 3.36Å; K551-I553 VanDerWaalsContact C-N 3.33Å; K551-I553 PolarHBondContact O-N 2.86Å; K551-L554 PolarHBondContact O-N 3.32Å; K551-Y555 HydrophobicContact CB-CD2 4.34Å; K551-Y555 HydrophobicContact CB-CE2 4.28Å; K551-Y555 WeakPolarHBondContact O-CB 3.41Å; K551-Y555 WeakPolarHBondContact O-CD2 3.43Å; K551-Y555 PolarHBondContact O-N 2.96Å
552	Q	70.6	Confident	60	Low	137 Å²	137	112.7 Å²	112.7	64%	0.64	57%	0.569	S	S	*	*	H	α-helix	trans	-59.4	-44.5	176.8	-76	177.8	-3.3	0	0	111.6	N548 Q549 Y555 S556	N548-Q552 WeakPolarHBondContact O-CB 3.22Å; N548-Q552 WeakPolarHBondContact O-CG 3.29Å; N548-Q552 PolarHBondContact O-N 3.48Å; Q549-Q552 WeakPolarHBondContact O-CB 3.41Å; Q549-Q552 PolarHBondContact O-N 3.13Å; Q552-Y555 PolarHBondContact O-N 3.5Å; Q552-S556 WeakPolarHBondContact O-CB 3.4Å; Q552-S556 PolarHBondContact O-N 3.07Å; Q552-S556 PolarHBondContact O-OG 3.16Å
553	I	68	Low	58.2	Low	49 Å²	49	118 Å²	118	25%	0.251	59%	0.594	S	S	.	*	H	α-helix	trans	-58.3	-50.6	173.6	-70.6	166	0	0	0	110	Q549 W550 K551 Y555 S556 I557 F588	Q549-I553 WeakPolarHBondContact O-CB 3.41Å; Q549-I553 VanDerWaalsContact O-CG1 3.25Å; Q549-I553 WeakPolarHBondContact O-CG1 3.45Å; Q549-I553 PolarHBondContact O-N 3.44Å; W550-I553 PolarHBondContact O-N 2.85Å; K551-I553 VanDerWaalsContact C-N 3.33Å; K551-I553 PolarHBondContact O-N 2.86Å; I553-Y555 VanDerWaalsContact C-N 3.3Å; I553-Y555 PolarHBondContact O-N 3.27Å; I553-S556 WeakPolarHBondContact CA-OG 3.42Å; I553-S556 PolarHBondContact O-N 2.8Å; I553-S556 PolarHBondContact O-OG 3.37Å; I553-I557 WeakPolarHBondContact O-CG1 3.12Å; I553-I557 PolarHBondContact O-N 3.29Å; I553-F588 HydrophobicContact CG2-CD2 3.87Å; I553-F588 HydrophobicContact CG2-CE2 3.3Å; I553-F588 HydrophobicContact CG2-CZ 3.97Å
554	L	66.2	Low	56.3	Low	104 Å²	104	120.1 Å²	120.1	55%	0.545	61%	0.607	S	S	.	*	H	α-helix	trans	-59.5	-37.9	177.8	-78.1	160.8	0	0	0	112.7	W550 K551 S556 I557	W550-L554 WeakPolarHBondContact O-CB 3.4Å; W550-L554 WeakPolarHBondContact O-CD1 3.3Å; W550-L554 VanDerWaalsContact O-CG 3.31Å; W550-L554 WeakPolarHBondContact O-CG 3.48Å; W550-L554 PolarHBondContact O-N 3.43Å; K551-L554 PolarHBondContact O-N 3.32Å; L554-S556 VanDerWaalsContact C-N 3.34Å; L554-I557 HydrophobicContact CD2-CD1 4.1Å; L554-I557 PolarHBondContact O-N 3.36Å
555	Y	61	Low	54	Low	201 Å²	201	122 Å²	122	79%	0.788	62%	0.621	S	S	*	*	H	α-helix	trans	-72.6	-25.6	175.5	-78.4	-63.9	0	0	0	113.2	K551 Q552 I553 I557	K551-Y555 HydrophobicContact CB-CD2 4.34Å; K551-Y555 HydrophobicContact CB-CE2 4.28Å; K551-Y555 WeakPolarHBondContact O-CB 3.41Å; K551-Y555 WeakPolarHBondContact O-CD2 3.43Å; K551-Y555 PolarHBondContact O-N 2.96Å; Q552-Y555 PolarHBondContact O-N 3.5Å; I553-Y555 VanDerWaalsContact C-N 3.3Å; I553-Y555 PolarHBondContact O-N 3.27Å; Y555-I557 VanDerWaalsContact C-N 3.28Å
556	S	54.4	Low	51.9	Low	85 Å²	85	124.5 Å²	124.5	59%	0.594	63%	0.634	S	S	*	*	H	α-helix	trans	-79.8	-6.2	175.3	67.6	0	0	0	0	113.9	Q552 I553 L554 P558	Q552-S556 WeakPolarHBondContact O-CB 3.4Å; Q552-S556 PolarHBondContact O-N 3.07Å; Q552-S556 PolarHBondContact O-OG 3.16Å; I553-S556 WeakPolarHBondContact CA-OG 3.42Å; I553-S556 PolarHBondContact O-N 2.8Å; I553-S556 PolarHBondContact O-OG 3.37Å; L554-S556 VanDerWaalsContact C-N 3.34Å; S556-P558 WeakPolarHBondContact O-CD 3.27Å
557	I	45.2	Very low	49.8	Very low	79 Å²	79	131.6 Å²	131.6	41%	0.405	66%	0.658	S	S	.	*	S	Bend	trans	-75.7	118.5	174.2	-58.8	172	0	0	0	108.6	I553 L554 Y555 I559	I553-I557 WeakPolarHBondContact O-CG1 3.12Å; I553-I557 PolarHBondContact O-N 3.29Å; L554-I557 HydrophobicContact CD2-CD1 4.1Å; L554-I557 PolarHBondContact O-N 3.36Å; Y555-I557 VanDerWaalsContact C-N 3.28Å; I557-I559 PolarHBondContact O-N 3.14Å
558	P	40.6	Very low	47.4	Very low	118 Å²	118	131.7 Å²	131.7	77%	0.766	67%	0.669	S	S	*	*			trans	-66.6	105	177.5	-13.9	27.7	0	0	0	109.9	S556 S560	S556-P558 WeakPolarHBondContact O-CD 3.27Å; P558-S560 PolarHBondContact O-N 3.32Å; P558-S560 VanDerWaalsContact O-N 3.15Å
559	I	40.1	Very low	45.3	Very low	152 Å²	152	136 Å²	136	78%	0.779	69%	0.69	S	S	*	*			trans	-71.7	105.6	167.9	-57.9	170.4	0	0	0	106	I557 N561	I557-I559 PolarHBondContact O-N 3.14Å; I559-N561 PolarHBondContact O-N 3.23Å
560	S	32.9	Very low	43.3	Very low	116 Å²	116	135.8 Å²	135.8	81%	0.811	70%	0.699	S	S	*	*			trans	-61.1	111.8	173.5	-167.4	0	0	0	0	108.4	P558 N562	P558-S560 PolarHBondContact O-N 3.32Å; P558-S560 VanDerWaalsContact O-N 3.15Å; S560-N562 PolarHBondContact O-N 3.1Å
561	N	30	Very low	41.3	Very low	151 Å²	151	135.3 Å²	135.3	81%	0.807	71%	0.709	S	S	*	*			trans	-47.1	105	178.2	-77.7	-27.6	0	0	0	111.8	I559	I559-N561 PolarHBondContact O-N 3.23Å
562	N	30.4	Very low	39.1	Very low	152 Å²	152	136 Å²	136	81%	0.813	72%	0.723	S	S	*	*			trans	-156	136.3	142.8	-105.8	-12.5	0	0	0	108.2	S560	S560-N562 PolarHBondContact O-N 3.1Å
563	D	31.9	Very low	36.9	Very low	160 Å²	160	135 Å²	135	86%	0.856	73%	0.726	S	S	*	*			trans	91.6	107	177.6	-54.3	-26.2	0	0	0	117.4
564	N	27	Very low	34.9	Very low	149 Å²	149	139.3 Å²	139.3	80%	0.797	75%	0.749	S	S	*	*			trans	-70.1	155.1	-174.4	-69.4	-57.6	0	0	0	113.9
565	N	26.7	Very low	33.3	Very low	149 Å²	149	142 Å²	142	80%	0.797	76%	0.764	S	S	*	*			trans	75.8	94.5	154	-62.2	-26.2	0	0	0	118
566	L	27.5	Very low	31.6	Very low	156 Å²	156	137.3 Å²	137.3	82%	0.817	76%	0.761	S	S	*	*			trans	-156.8	115.3	135.3	-130.2	73.9	0	0	0	112.2
567	Y	30	Very low	30.4	Very low	208 Å²	208	140.8 Å²	140.8	82%	0.816	77%	0.771	S	S	*	*			trans	61.2	89.2	160	-62.3	-71.5	0	0	0	122.4
568	N	24.2	Very low	29.6	Very low	144 Å²	144	144.3 Å²	144.3	77%	0.77	79%	0.791	S	S	*	*				-8.3	133	126.9	-83.5	-16.7	0	0	0	121.4
569	I	29.3	Very low	28.9	Very low	151 Å²	151	146.1 Å²	146.1	77%	0.774	79%	0.794	S	S	*	*			trans	85.1	147.6	138.2	-58.8	160.7	0	0	0	117.8
570	P	33	Very low	28.2	Very low	116 Å²	116	147.5 Å²	147.5	75%	0.753	79%	0.794	S	S	*	*			cis	-128.3	163.5	-0.6	21.8	1.7	0	0	0	117.5
571	N	24.9	Very low	27.9	Very low	153 Å²	153	149.5 Å²	149.5	82%	0.818	79%	0.791	S	S	*	*			trans	-62.3	145.5	163.5	-55	-36.7	0	0	0	114.4
572	T	27.7	Very low	27.9	Very low	127 Å²	127	149.1 Å²	149.1	78%	0.779	79%	0.787	S	S	*	*			trans	-169.4	102.2	137.6	37.7	0	0	0	0	108.6
573	T	24.7	Very low	27.7	Very low	115 Å²	115	150.6 Å²	150.6	71%	0.706	79%	0.789	S	S	*	*				86.7	114.5	101.4	53.4	0	0	0	0	114.9
574	D	25.7	Very low	27.6	Very low	139 Å²	139	150.6 Å²	150.6	74%	0.743	78%	0.784	S	S	*	*			trans	68.2	101.3	137.6	-54.8	-20.8	0	0	0	119.1
575	N	32.4	Very low	27.8	Very low	161 Å²	161	150.4 Å²	150.4	86%	0.861	78%	0.783	S	S	*	*				-163.4	117.7	102.3	-90.2	-34.4	0	0	0	111.5
576	S	25.4	Very low	28.1	Very low	103 Å²	103	149.6 Å²	149.6	72%	0.72	78%	0.777	S	S	*	*			trans	-57.3	134.7	161.7	49.6	0	0	0	0	112.1
577	I	29.7	Very low	28.1	Very low	158 Å²	158	149.3 Å²	149.3	81%	0.81	77%	0.774	S	S	*	*				-172.8	125.6	125	-87.5	149.4	0	0	0	109.3
578	D	28.2	Very low	28.3	Very low	153 Å²	153	145.2 Å²	145.2	82%	0.818	76%	0.76	S	S	*	*			trans	56.6	102	159	-72.7	-21	0	0	0	122.6	K580	D578-K580 PolarHBondContact O-N 3.12Å
579	D	26.1	Very low	28.7	Very low	155 Å²	155	141.6 Å²	141.6	83%	0.829	76%	0.757	S	S	*	*			trans	-43.6	122.2	142.9	-64.4	-49	0	0	0	112.2
580	K	24.6	Very low	29	Very low	181 Å²	181	142.3 Å²	142.3	79%	0.787	75%	0.754	S	S	*	*				174.9	118.7	125.5	-96.7	166.2	-171.3	179.7	0	112.7	D578	D578-K580 PolarHBondContact O-N 3.12Å
581	H	26.6	Very low	29	Very low	158 Å²	158	146.8 Å²	146.8	73%	0.731	76%	0.763	S	S	*	*			trans	60.8	105.3	156.4	-58.2	-72.7	0	0	0	117.7
582	I	29.2	Very low	29.8	Very low	144 Å²	144	144.2 Å²	144.2	74%	0.738	75%	0.752	S	S	*	*				-152.8	96.9	121	-84.2	147	0	0	0	105.2	E584	I582-E584 VanDerWaalsContact C-N 3.31Å; I582-E584 HydrophobicContact CG2-CB 3.7Å; I582-E584 HydrophobicContact CG2-CG 3.87Å; I582-E584 PolarHBondContact O-N 3.12Å
583	E	26.7	Very low	30.5	Very low	183 Å²	183	143.9 Å²	143.9	86%	0.855	76%	0.755	S	S	*	*			trans	-83.5	79.6	160.2	-73.9	178.9	159.5	0	0	106.6
584	E	31	Very low	31.4	Very low	159 Å²	159	141.7 Å²	141.7	74%	0.743	74%	0.738	S	S	*	*			trans	-108.2	101.6	168.4	-84.4	174.9	-178.8	0	0	109.2	I582 I586	I582-E584 VanDerWaalsContact C-N 3.31Å; I582-E584 HydrophobicContact CG2-CB 3.7Å; I582-E584 HydrophobicContact CG2-CG 3.87Å; I582-E584 PolarHBondContact O-N 3.12Å; E584-I586 PolarHBondContact O-N 2.82Å
585	N	30.5	Very low	32.8	Very low	146 Å²	146	142.5 Å²	142.5	78%	0.781	74%	0.737	S	S	*	*			trans	-59.7	93.4	179	-69.3	-60.4	0	0	0	111.5	M587	N585-M587 PolarHBondContact O-N 2.71Å
586	I	31.9	Very low	34.4	Very low	131 Å²	131	139.8 Å²	139.8	67%	0.672	73%	0.731	S	S	*	*			trans	-82.9	76.6	161.6	-53.9	179.5	0	0	0	107.6	E584 F588	E584-I586 PolarHBondContact O-N 2.82Å; I586-F588 HydrophobicContact CG2-CD2 3.89Å; I586-F588 HydrophobicContact CG2-CE2 3.62Å; I586-F588 PolarHBondContact O-N 2.94Å
587	M	28.2	Very low	36	Very low	151 Å²	151	140.9 Å²	140.9	74%	0.744	73%	0.725	S	S	*	*			trans	-71.4	93.1	172.8	-177.4	168.2	-81.1	0	0	108.6	N585 G589	N585-M587 PolarHBondContact O-N 2.71Å; M587-G589 PolarHBondContact O-N 3.07Å
588	F	33.4	Very low	37.2	Very low	122 Å²	122	138.7 Å²	138.7	54%	0.535	71%	0.711	S	S	.	*			trans	-58.7	122.5	169	-89.2	-94.8	0	0	0	109.2	I553 I586 K590	I553-F588 HydrophobicContact CG2-CD2 3.87Å; I553-F588 HydrophobicContact CG2-CE2 3.3Å; I553-F588 HydrophobicContact CG2-CZ 3.97Å; I586-F588 HydrophobicContact CG2-CD2 3.89Å; I586-F588 HydrophobicContact CG2-CE2 3.62Å; I586-F588 PolarHBondContact O-N 2.94Å; F588-K590 PolarHBondContact O-N 3.43Å
589	G	34.2	Very low	38.6	Very low	68 Å²	68	133 Å²	133	70%	0.701	69%	0.685	S	S	*	*			trans	-36.9	99.4	-170.7	0	0	0	0	0	114.1	M587 F591	M587-G589 PolarHBondContact O-N 3.07Å; G589-F591 PolarHBondContact O-N 3.04Å
590	K	34	Very low	40	Very low	165 Å²	165	130.7 Å²	130.7	72%	0.717	67%	0.67	S	S	*	*			trans	-54.6	125.7	139.4	-80.2	179.1	175.6	176.4	0	104.1	F588 T592	F588-K590 PolarHBondContact O-N 3.43Å; K590-T592 PolarHBondContact O-N 3.37Å
591	F	34.5	Very low	41.4	Very low	211 Å²	211	127 Å²	127	93%	0.925	66%	0.658	S	S	*	*			trans	-52.7	91.8	154	-68	-86.4	0	0	0	104.9	G589 S593	G589-F591 PolarHBondContact O-N 3.04Å; F591-S593 PolarHBondContact O-N 3.12Å
592	T	40.7	Very low	42.9	Very low	98 Å²	98	125.7 Å²	125.7	60%	0.601	65%	0.653	S	S	*	*			trans	-55.9	135.6	162.5	45.2	0	0	0	0	103.1	K590 M594	K590-T592 PolarHBondContact O-N 3.37Å; T592-M594 PolarHBondContact O-N 3.01Å
593	S	44	Very low	44.1	Very low	120 Å²	120	126 Å²	126	84%	0.839	66%	0.655	S	S	*	*			trans	-62.8	78.9	167.3	53	0	0	0	0	106.5	F591 E595	F591-S593 PolarHBondContact O-N 3.12Å; S593-E595 PolarHBondContact O-N 3.35Å
594	M	42.8	Very low	45.3	Very low	69 Å²	69	119.5 Å²	119.5	34%	0.34	63%	0.628	S	S	.	*			trans	-57.8	135.8	171.1	-79.2	164	78.4	0	0	105.7	T592 S596 E598 A599 E602	T592-M594 PolarHBondContact O-N 3.01Å; M594-S596 PolarHBondContact O-N 3.4Å; M594-E598 HydrophobicContact CB-CB 4.4Å; M594-E598 HydrophobicContact CE-CB 3.84Å; M594-A599 HydrophobicContact CB-CB 4.3Å; M594-E602 WeakPolarHBondContact CE-OE2 3.36Å
595	E	54.4	Low	46.8	Very low	156 Å²	156	116.5 Å²	116.5	73%	0.729	62%	0.62	S	S	*	*			trans	-54.8	139.2	171.6	-66.5	-172.2	161.2	0	0	108.1	S593 Q597 E598 A599	S593-E595 PolarHBondContact O-N 3.35Å; E595-Q597 PolarHBondContact O-N 3.32Å; E595-E598 PolarHBondContact O-N 2.92Å; E595-A599 PolarHBondContact O-N 3.13Å
596	S	66	Low	48.6	Very low	104 Å²	104	118.8 Å²	118.8	73%	0.727	62%	0.619	S	S	*	*	H	α-helix	trans	-49.7	-28.8	-168.3	-55	0	0	0	0	114	M594 E600	M594-S596 PolarHBondContact O-N 3.4Å; S596-E600 WeakPolarHBondContact O-CB 3.43Å; S596-E600 PolarHBondContact O-N 3.41Å
597	Q	58.7	Low	50.8	Low	127 Å²	127	114.6 Å²	114.6	59%	0.593	60%	0.596	S	S	*	*	H	α-helix	trans	-69.2	-39	178.3	-141.3	80.6	49.2	0	0	113.5	E595 N601	E595-Q597 PolarHBondContact O-N 3.32Å; Q597-N601 WeakPolarHBondContact O-CB 3.3Å; Q597-N601 PolarHBondContact O-N 3.16Å; Q597-N601 PolarHBondContact O-ND2 3.27Å; Q597-N601 PolarHBondContact O-OD1 3.46Å
598	E	55.8	Low	53.4	Low	112 Å²	112	114.3 Å²	114.3	52%	0.523	59%	0.591	S	S	.	*	H	α-helix	trans	-74.6	-40.2	179	-72.2	-175.9	163.8	0	0	111.2	M594 E595 E600 N601 E602	M594-E598 HydrophobicContact CB-CB 4.4Å; M594-E598 HydrophobicContact CE-CB 3.84Å; E595-E598 PolarHBondContact O-N 2.92Å; E598-E600 VanDerWaalsContact C-N 3.31Å; E598-E600 PolarHBondContact O-N 2.87Å; E598-N601 PolarHBondContact O-N 3.28Å; E598-E602 PolarHBondContact O-N 3.04Å
599	A	58.2	Low	55.9	Low	34 Å²	34	113.6 Å²	113.6	28%	0.281	59%	0.588	S	S	.	*	H	α-helix	trans	-62.4	-39.9	172	0	0	0	0	0	111.4	M594 E595 E602 L603	M594-A599 HydrophobicContact CB-CB 4.3Å; E595-A599 PolarHBondContact O-N 3.13Å; A599-E602 PolarHBondContact O-N 3.31Å; A599-L603 WeakPolarHBondContact O-CB 3.48Å; A599-L603 VanDerWaalsContact O-CG 3.25Å; A599-L603 WeakPolarHBondContact O-CG 3.27Å; A599-L603 PolarHBondContact O-N 3.11Å
600	E	54.5	Low	58.3	Low	106 Å²	106	117.7 Å²	117.7	50%	0.495	59%	0.588	S	S	.	*	H	α-helix	trans	-65.1	-41.9	173.4	-170.7	174.2	-165.3	0	0	111.4	S596 E598 E602 L603 T604	S596-E600 WeakPolarHBondContact O-CB 3.43Å; S596-E600 PolarHBondContact O-N 3.41Å; E598-E600 VanDerWaalsContact C-N 3.31Å; E598-E600 PolarHBondContact O-N 2.87Å; E600-E602 PolarHBondContact O-N 3.47Å; E600-L603 PolarHBondContact O-N 3.24Å; E600-T604 HydrophobicContact CG-CG2 4.38Å; E600-T604 VanDerWaalsContact O-CB 3.27Å; E600-T604 WeakPolarHBondContact O-CB 3.29Å; E600-T604 WeakPolarHBondContact O-CG2 3.32Å; E600-T604 PolarHBondContact O-N 3.42Å; E600-T604 PolarHBondContact O-OG1 2.96Å
601	N	53.7	Low	60.9	Low	102 Å²	102	110.8 Å²	110.8	55%	0.545	56%	0.56	S	S	.	*	H	α-helix	trans	-64.7	-37.5	176.5	-72	-22.4	0	0	0	112.9	Q597 E598 T604	Q597-N601 WeakPolarHBondContact O-CB 3.3Å; Q597-N601 PolarHBondContact O-N 3.16Å; Q597-N601 PolarHBondContact O-ND2 3.27Å; Q597-N601 PolarHBondContact O-OD1 3.46Å; E598-N601 PolarHBondContact O-N 3.28Å; N601-T604 WeakPolarHBondContact CA-OG1 3.35Å; N601-T604 PolarHBondContact O-N 3.34Å; N601-T604 PolarHBondContact O-OG1 2.94Å
602	E	59.7	Low	63.5	Low	132 Å²	132	101 Å²	101	62%	0.617	52%	0.517	S	S	*	.	H	α-helix	trans	-68	-42.2	175.2	-172.2	177.9	178.1	0	0	111.7	M594 E598 A599 E600 T604	M594-E602 WeakPolarHBondContact CE-OE2 3.36Å; E598-E602 PolarHBondContact O-N 3.04Å; A599-E602 PolarHBondContact O-N 3.31Å; E600-E602 PolarHBondContact O-N 3.47Å; E602-T604 PolarHBondContact O-N 2.87Å
603	L	53.7	Low	65.8	Low	151 Å²	151	100.6 Å²	100.6	79%	0.791	51%	0.511	S	S	*	.	H	α-helix	trans	-67.8	-20.6	175.5	-71.9	169.7	0	0	0	113.1	A599 E600	A599-L603 WeakPolarHBondContact O-CB 3.48Å; A599-L603 VanDerWaalsContact O-CG 3.25Å; A599-L603 WeakPolarHBondContact O-CG 3.27Å; A599-L603 PolarHBondContact O-N 3.11Å; E600-L603 PolarHBondContact O-N 3.24Å
604	T	50.7	Low	68	Low	46 Å²	46	98.2 Å²	98.2	28%	0.282	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	35	-170.9	57.2	0	0	0	0	114.2	E600 N601 E602 Y606	E600-T604 HydrophobicContact CG-CG2 4.38Å; E600-T604 VanDerWaalsContact O-CB 3.27Å; E600-T604 WeakPolarHBondContact O-CB 3.29Å; E600-T604 WeakPolarHBondContact O-CG2 3.32Å; E600-T604 PolarHBondContact O-N 3.42Å; E600-T604 PolarHBondContact O-OG1 2.96Å; N601-T604 WeakPolarHBondContact CA-OG1 3.35Å; N601-T604 PolarHBondContact O-N 3.34Å; N601-T604 PolarHBondContact O-OG1 2.94Å; E602-T604 PolarHBondContact O-N 2.87Å; T604-Y606 VanDerWaalsContact C-N 3.29Å; T604-Y606 HydrophobicContact CG2-CE2 4.26Å; T604-Y606 WeakPolarHBondContact O-CD2 3.4Å; T604-Y606 PolarHBondContact O-N 3.4Å
605	T	63.2	Low	70.3	Confident	96 Å²	96	95.4 Å²	95.4	59%	0.589	48%	0.481	S	S	*	.			trans	-64.3	89.3	167.3	48.9	0	0	0	0	110.9	F607	T605-F607 PolarHBondContact O-N 2.9Å
606	Y	69.4	Low	72.2	Confident	193 Å²	193	94.5 Å²	94.5	76%	0.757	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-73.7	117.6	-179.4	-73.4	-80.2	0	0	0	111.3	T604	T604-Y606 VanDerWaalsContact C-N 3.29Å; T604-Y606 HydrophobicContact CG2-CE2 4.26Å; T604-Y606 WeakPolarHBondContact O-CD2 3.4Å; T604-Y606 PolarHBondContact O-N 3.4Å
607	F	77.2	Confident	73.6	Confident	43 Å²	43	90 Å²	90	19%	0.189	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-84	116.3	167.5	-90.9	-95.1	0	0	0	110.5	T605 T611 F612 L615 F635 W780 M789	T605-F607 PolarHBondContact O-N 2.9Å; F607-T611 HydrophobicContact CD1-CG2 3.46Å; F607-T611 VanDerWaalsContact CD1-CG2 3.46Å; F607-T611 HydrophobicContact CE1-CG2 3.59Å; F607-T611 HydrophobicContact CG-CG2 4.32Å; F607-F612 HydrophobicContact CD1-CZ 4.34Å; F607-L615 HydrophobicContact CE1-CD2 4.5Å; F607-F635 HydrophobicContact CE2-CD1 4.33Å; F607-F635 AromaticContact CE2-CE1 3.5Å; F607-F635 HydrophobicContact CE2-CE1 3.5Å; F607-F635 VanDerWaalsContact CE2-CE1 3.5Å; F607-F635 HydrophobicContact CE2-CE2 4.4Å; F607-F635 AromaticContact CE2-CZ 3.56Å; F607-F635 HydrophobicContact CE2-CZ 3.56Å; F607-F635 AromaticContact CZ-CD1 3.93Å; F607-F635 HydrophobicContact CZ-CD1 3.93Å; F607-F635 HydrophobicContact CZ-CD2 4.21Å; F607-F635 AromaticContact CZ-CE1 3.42Å; F607-F635 HydrophobicContact CZ-CE1 3.42Å; F607-F635 VanDerWaalsContact CZ-CE1 3.42Å; F607-F635 AromaticContact CZ-CE2 3.73Å; F607-F635 HydrophobicContact CZ-CE2 3.73Å; F607-F635 HydrophobicContact CZ-CG 4.31Å; F607-F635 AromaticContact CZ-CZ 3.32Å; F607-F635 HydrophobicContact CZ-CZ 3.32Å; F607-W780 HydrophobicContact CB-CH2 3.59Å; F607-W780 HydrophobicContact CB-CZ2 4.38Å; F607-W780 HydrophobicContact CB-CZ3 4.49Å; F607-W780 HydrophobicContact CG-CH2 4.17Å; F607-M789 HydrophobicContact CD1-CE 4.13Å; F607-M789 HydrophobicContact CE1-CE 3.75Å; F607-M789 HydrophobicContact CE2-CE 4.18Å; F607-M789 HydrophobicContact CZ-CE 3.78Å
608	K	83	Confident	75.3	Confident	146 Å²	146	88.3 Å²	88.3	64%	0.635	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-84.8	159.4	168.2	-65	-179	-178.5	176.9	0	109.5	E610 T611	K608-E610 PolarHBondContact O-N 3.04Å; K608-E610 VanDerWaalsContact O-N 3.16Å; K608-T611 PolarHBondContact N-OG1 3.27Å; K608-T611 VanDerWaalsContact N-OG1 3.11Å; K608-T611 WeakPolarHBondContact O-CB 3.47Å; K608-T611 PolarHBondContact O-N 3.13Å; K608-T611 PolarHBondContact O-OG1 3.43Å
609	K	85	Confident	77.2	Confident	106 Å²	106	83.9 Å²	83.9	46%	0.461	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-35.7	174.7	-74.8	-165.8	176.3	-156.6	0	112.4	T611 G774 M776 D777	K609-T611 VanDerWaalsContact C-N 3.33Å; K609-T611 PolarHBondContact O-N 3.05Å; K609-G774 WeakPolarHBondContact CB-O 3.45Å; K609-G774 WeakPolarHBondContact CD-O 3.47Å; K609-G774 WeakPolarHBondContact CG-O 3.49Å; K609-G774 WeakPolarHBondContact O-CA 3.46Å; K609-M776 WeakPolarHBondContact CE-O 3.33Å; K609-M776 PolarHBondContact NZ-O 2.84Å; K609-D777 IonicContact NZ-OD1 3.02Å
610	E	86.1	Confident	79	Confident	154 Å²	154	84.8 Å²	84.8	72%	0.72	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-28.1	177.6	-63.9	170.8	-167.3	0	0	113.4	K608 F612 N613 S614	K608-E610 PolarHBondContact O-N 3.04Å; K608-E610 VanDerWaalsContact O-N 3.16Å; E610-F612 PolarHBondContact O-N 3.41Å; E610-N613 WeakPolarHBondContact O-CB 3.44Å; E610-N613 PolarHBondContact O-N 3.18Å; E610-S614 PolarHBondContact O-N 3.14Å
611	T	87.4	Confident	80.8	Confident	21 Å²	21	85.2 Å²	85.2	13%	0.129	42%	0.421	C	S	.	.	H	α-helix	trans	-60.7	-33.4	179.5	-52.7	0	0	0	0	111.7	F607 K608 K609 N613 S614 L615	F607-T611 HydrophobicContact CD1-CG2 3.46Å; F607-T611 VanDerWaalsContact CD1-CG2 3.46Å; F607-T611 HydrophobicContact CE1-CG2 3.59Å; F607-T611 HydrophobicContact CG-CG2 4.32Å; K608-T611 PolarHBondContact N-OG1 3.27Å; K608-T611 VanDerWaalsContact N-OG1 3.11Å; K608-T611 WeakPolarHBondContact O-CB 3.47Å; K608-T611 PolarHBondContact O-N 3.13Å; K608-T611 PolarHBondContact O-OG1 3.43Å; K609-T611 VanDerWaalsContact C-N 3.33Å; K609-T611 PolarHBondContact O-N 3.05Å; T611-N613 PolarHBondContact O-N 3.43Å; T611-S614 PolarHBondContact O-N 3Å; T611-S614 PolarHBondContact O-OG 3.28Å; T611-L615 PolarHBondContact O-N 2.94Å
612	F	89.7	Confident	82.6	Confident	4 Å²	4	86.4 Å²	86.4	2%	0.018	43%	0.427	C	S	.	.	H	α-helix	trans	-63.5	-29.7	176.6	-69.2	-80.5	0	0	0	113.1	F607 E610 L615 M773 P779 W780 M789	F607-F612 HydrophobicContact CD1-CZ 4.34Å; E610-F612 PolarHBondContact O-N 3.41Å; F612-L615 HydrophobicContact CD1-CD1 4.18Å; F612-M773 HydrophobicContact CD1-CB 3.64Å; F612-M773 HydrophobicContact CD1-CE 4.41Å; F612-M773 HydrophobicContact CD1-SD 4.48Å; F612-M773 HydrophobicContact CE1-CB 3.96Å; F612-M773 HydrophobicContact CE1-CE 3.86Å; F612-M773 HydrophobicContact CG-CB 4.16Å; F612-P779 HydrophobicContact CE2-CG 4.05Å; F612-P779 HydrophobicContact CZ-CB 4.11Å; F612-P779 HydrophobicContact CZ-CG 3.82Å; F612-W780 HydrophobicContact CE2-CH2 4.35Å; F612-W780 AromaticContact CZ-CH2 3.79Å; F612-W780 HydrophobicContact CZ-CH2 3.79Å; F612-W780 HydrophobicContact CZ-CZ2 4.43Å; F612-W780 HydrophobicContact CZ-CZ3 4.1Å; F612-M789 HydrophobicContact CE1-CE 4.02Å; F612-M789 HydrophobicContact CE1-SD 3.42Å; F612-M789 WeakPolarHBondContact CE1-SD 3.4Å; F612-M789 HydrophobicContact CZ-CE 4.49Å; F612-M789 HydrophobicContact CZ-SD 3.8Å
613	N	88.4	Confident	84.1	Confident	90 Å²	90	84 Å²	84	48%	0.481	42%	0.418	S	S	.	.	H	α-helix	trans	-78.9	-24.5	178.3	-65.8	-30.8	0	0	0	112.6	E610 T611	E610-N613 WeakPolarHBondContact O-CB 3.44Å; E610-N613 PolarHBondContact O-N 3.18Å; T611-N613 PolarHBondContact O-N 3.43Å
614	S	90	Very high	85.9	Confident	71 Å²	71	77 Å²	77	50%	0.497	38%	0.382	S	S	.	.	H	α-helix	trans	-86.1	-7.4	177.1	61.5	0	0	0	0	113.5	E610 T611 K616	E610-S614 PolarHBondContact O-N 3.14Å; T611-S614 PolarHBondContact O-N 3Å; T611-S614 PolarHBondContact O-OG 3.28Å; S614-K616 PolarHBondContact O-N 2.97Å
615	L	92.1	Very high	88.1	Confident	10 Å²	10	77.4 Å²	77.4	5%	0.052	38%	0.38	C	S	.	.			trans	-61.3	123.1	176.8	-72.8	176.8	0	0	0	111.9	F607 T611 F612 A628 H630 F635 L770	F607-L615 HydrophobicContact CE1-CD2 4.5Å; T611-L615 PolarHBondContact O-N 2.94Å; F612-L615 HydrophobicContact CD1-CD1 4.18Å; L615-A628 HydrophobicContact CB-CB 4.2Å; L615-A628 HydrophobicContact CD2-CB 4.4Å; L615-H630 HydrophobicContact CD2-CB 3.65Å; L615-F635 HydrophobicContact CD2-CD2 4.4Å; L615-L770 HydrophobicContact CB-CD1 3.81Å; L615-L770 HydrophobicContact CD1-CD1 4.3Å; L615-L770 HydrophobicContact CD1-CD2 4.05Å
616	K	94	Very high	89.6	Confident	137 Å²	137	72.8 Å²	72.8	60%	0.596	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	112.5	175.2	-176.9	-175.4	176.7	-171.1	0	109.6	S614 I618 A628 Q629	S614-K616 PolarHBondContact O-N 2.97Å; K616-I618 PolarHBondContact O-N 2.79Å; K616-A628 CarbonylContact O-C 3.57Å; K616-A628 VanDerWaalsContact O-CA 3.28Å; K616-A628 WeakPolarHBondContact O-CA 3.5Å; K616-Q629 HydrophobicContact CB-CB 4.44Å; K616-Q629 PolarHBondContact N-O 3.37Å; K616-Q629 PolarHBondContact O-N 3.18Å
617	V	96.1	Very high	91	Very high	9 Å²	9	64.9 Å²	64.9	6%	0.055	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	119.4	173.4	176.9	0	0	0	0	109.7	I626 H763 M766 K767 L770	V617-I626 HydrophobicContact CG1-CG2 4.17Å; V617-I626 HydrophobicContact CG2-CG2 4.48Å; V617-H763 PolarHBondContact O-NE2 3.44Å; V617-H763 VanDerWaalsContact O-NE2 3.14Å; V617-M766 HydrophobicContact CG1-CB 3.81Å; V617-M766 HydrophobicContact CG1-CE 3.92Å; V617-M766 HydrophobicContact CG1-CG 4.44Å; V617-M766 HydrophobicContact CG1-SD 3.81Å; V617-M766 HydrophobicContact CG2-CB 4.14Å; V617-K767 HydrophobicContact CG2-CB 4.46Å; V617-L770 HydrophobicContact CG2-CD1 3.48Å; V617-L770 VanDerWaalsContact CG2-CD1 3.48Å; V617-L770 HydrophobicContact CG2-CG 4.5Å
618	I	94.6	Very high	91.8	Very high	91 Å²	91	62.8 Å²	62.8	47%	0.467	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-46.6	172.6	-68.8	166.4	0	0	0	109.8	K616 I627 Q629 L634	K616-I618 PolarHBondContact O-N 2.79Å; I618-I627 HydrophobicContact CB-CB 4.4Å; I618-I627 HydrophobicContact CB-CG2 4.26Å; I618-I627 HydrophobicContact CD1-CG2 4.01Å; I618-I627 PolarHBondContact N-O 3.07Å; I618-Q629 HydrophobicContact CD1-CB 3.81Å; I618-Q629 HydrophobicContact CG1-CB 4.26Å; I618-L634 HydrophobicContact CD1-CD2 3.22Å
619	G	94.4	Very high	92.3	Very high	20 Å²	20	58.3 Å²	58.3	21%	0.206	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.4	-168.8	-178.9	0	0	0	0	0	112.9	I627	G619-I627 PolarHBondContact N-O 2.87Å; G619-I627 PolarHBondContact O-N 3.46Å
620	Q	95.7	Very high	92.5	Very high	52 Å²	52	55.2 Å²	55.2	24%	0.243	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.1	178.5	-168.1	-177.8	25.6	0	0	110.2	F625 T759 M766	Q620-F625 CarbonylContact C-O 3.47Å; Q620-F625 VanDerWaalsContact CA-O 3.27Å; Q620-F625 WeakPolarHBondContact CA-O 2.82Å; Q620-F625 WeakPolarHBondContact CG-O 3.32Å; Q620-T759 PolarHBondContact NE2-O 3.47Å; Q620-M766 HydrophobicContact CB-SD 3.95Å
621	F	93.5	Very high	92.5	Very high	116 Å²	116	53.6 Å²	53.6	51%	0.509	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.2	175	177	-103.4	0	0	0	110.8	L623 G624 F625 I627	F621-L623 PolarHBondContact O-N 2.85Å; F621-G624 PolarHBondContact O-N 3.02Å; F621-G624 VanDerWaalsContact O-N 3.1Å; F621-F625 HydrophobicContact CB-CB 4.35Å; F621-F625 HydrophobicContact CD1-CB 4.5Å; F621-F625 HydrophobicContact CD1-CD2 4.07Å; F621-F625 PolarHBondContact N-O 2.98Å; F621-F625 PolarHBondContact O-N 3.49Å; F621-I627 HydrophobicContact CB-CD1 4.07Å; F621-I627 HydrophobicContact CB-CG1 3.93Å
622	N	91.8	Very high	92.4	Very high	126 Å²	126	56.9 Å²	56.9	67%	0.674	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	32.6	176.3	-163.1	30.7	0	0	0	114.6	G624	N622-G624 PolarHBondContact O-N 2.73Å
623	L	91.3	Very high	92.3	Very high	83 Å²	83	58 Å²	58	44%	0.435	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	24.4	-176.3	-58.3	176.8	0	0	0	114.8	F621 Q639 G758 A760	F621-L623 PolarHBondContact O-N 2.85Å; L623-Q639 PolarHBondContact O-NE2 3.31Å; L623-G758 CarbonylContact O-C 3.47Å; L623-G758 VanDerWaalsContact O-CA 3.26Å; L623-G758 WeakPolarHBondContact O-CA 3.37Å; L623-G758 PolarHBondContact O-N 3.03Å; L623-A760 HydrophobicContact CD2-CB 3.92Å
624	G	91	Very high	92.5	Very high	2 Å²	2	55 Å²	55	2%	0.021	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141	-19.3	-174.8	0	0	0	0	0	114.1	F621 N622 Q639	F621-G624 PolarHBondContact O-N 3.02Å; F621-G624 VanDerWaalsContact O-N 3.1Å; N622-G624 PolarHBondContact O-N 2.73Å; G624-Q639 VanDerWaalsContact C-OE1 3.24Å; G624-Q639 VanDerWaalsContact O-CG 3.26Å; G624-Q639 WeakPolarHBondContact O-CG 3.39Å; G624-Q639 PolarHBondContact O-N 3.27Å; G624-Q639 VanDerWaalsContact O-N 3.15Å; G624-Q639 PolarHBondContact O-OE1 2.92Å
625	F	96	Very high	92.6	Very high	55 Å²	55	52.1 Å²	52.1	24%	0.241	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.2	-176.6	-58.5	-81.5	0	0	0	111.3	Q620 F621 I636 I637 D638	Q620-F625 CarbonylContact C-O 3.47Å; Q620-F625 VanDerWaalsContact CA-O 3.27Å; Q620-F625 WeakPolarHBondContact CA-O 2.82Å; Q620-F625 WeakPolarHBondContact CG-O 3.32Å; F621-F625 HydrophobicContact CB-CB 4.35Å; F621-F625 HydrophobicContact CD1-CB 4.5Å; F621-F625 HydrophobicContact CD1-CD2 4.07Å; F621-F625 PolarHBondContact N-O 2.98Å; F621-F625 PolarHBondContact O-N 3.49Å; F625-I636 HydrophobicContact CB-CD1 3.88Å; F625-I636 HydrophobicContact CB-CG1 3.72Å; F625-I636 HydrophobicContact CD1-CD1 3.93Å; F625-I636 HydrophobicContact CD1-CG1 3.84Å; F625-I636 HydrophobicContact CD2-CD1 4.37Å; F625-I636 HydrophobicContact CG-CD1 3.8Å; F625-I636 HydrophobicContact CG-CG1 3.95Å; F625-I637 CarbonylContact C-O 3.46Å; F625-I637 WeakPolarHBondContact CA-O 3.42Å; F625-D638 HydrophobicContact CD1-CB 4.28Å; F625-D638 HydrophobicContact CE1-CB 4.2Å
626	I	96.2	Very high	92.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.8	170.6	-58.5	166.8	0	0	0	106.8	V617 I637 Q639 L761 M766 I769	V617-I626 HydrophobicContact CG1-CG2 4.17Å; V617-I626 HydrophobicContact CG2-CG2 4.48Å; I626-I637 HydrophobicContact CB-CB 4.24Å; I626-I637 PolarHBondContact N-O 3.41Å; I626-I637 WeakPolarHBondContact O-CD1 3.48Å; I626-I637 PolarHBondContact O-N 2.95Å; I626-Q639 HydrophobicContact CD1-CB 4.09Å; I626-Q639 HydrophobicContact CG1-CB 4.14Å; I626-L761 HydrophobicContact CD1-CD1 4.28Å; I626-L761 HydrophobicContact CG1-CD1 4.49Å; I626-M766 HydrophobicContact CD1-CB 4.05Å; I626-M766 HydrophobicContact CD1-CG 4Å; I626-M766 HydrophobicContact CG1-CB 4.33Å; I626-M766 HydrophobicContact CG1-CG 3.91Å; I626-M766 HydrophobicContact CG1-SD 4.19Å; I626-M766 HydrophobicContact CG2-CB 4.17Å; I626-M766 HydrophobicContact CG2-CG 4.35Å; I626-M766 HydrophobicContact CG2-SD 4.17Å; I626-I769 HydrophobicContact CD1-CB 4.17Å; I626-I769 HydrophobicContact CD1-CD1 3.95Å; I626-I769 HydrophobicContact CD1-CG2 4.17Å
627	I	96.9	Very high	92.8	Very high	26 Å²	26	46.8 Å²	46.8	13%	0.133	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.4	171.5	-52.9	-57	0	0	0	107.7	I618 G619 F621 L634 F635 I636 L792	I618-I627 HydrophobicContact CB-CB 4.4Å; I618-I627 HydrophobicContact CB-CG2 4.26Å; I618-I627 HydrophobicContact CD1-CG2 4.01Å; I618-I627 PolarHBondContact N-O 3.07Å; G619-I627 PolarHBondContact N-O 2.87Å; G619-I627 PolarHBondContact O-N 3.46Å; F621-I627 HydrophobicContact CB-CD1 4.07Å; F621-I627 HydrophobicContact CB-CG1 3.93Å; I627-L634 HydrophobicContact CG2-CD2 4.48Å; I627-F635 WeakPolarHBondContact CA-O 3.27Å; I627-I636 HydrophobicContact CD1-CB 4.05Å; I627-I636 HydrophobicContact CD1-CD1 4.06Å; I627-I636 HydrophobicContact CD1-CG1 3.79Å; I627-L792 HydrophobicContact CD1-CD2 4.4Å
628	A	95.1	Very high	92.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147.1	178.4	0	0	0	0	0	111.1	L615 K616 F635 I637 L770	L615-A628 HydrophobicContact CB-CB 4.2Å; L615-A628 HydrophobicContact CD2-CB 4.4Å; K616-A628 CarbonylContact O-C 3.57Å; K616-A628 VanDerWaalsContact O-CA 3.28Å; K616-A628 WeakPolarHBondContact O-CA 3.5Å; A628-F635 PolarHBondContact N-O 2.86Å; A628-F635 PolarHBondContact O-N 3Å; A628-I637 HydrophobicContact CB-CD1 3.6Å; A628-L770 HydrophobicContact CB-CD1 3.92Å
629	Q	92.7	Very high	92.8	Very high	51 Å²	51	42.3 Å²	42.3	24%	0.238	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	136.6	177.6	-175.6	-178.6	4.4	0	0	110.1	K616 I618 N631 D633 L634 L795	K616-Q629 HydrophobicContact CB-CB 4.44Å; K616-Q629 PolarHBondContact N-O 3.37Å; K616-Q629 PolarHBondContact O-N 3.18Å; I618-Q629 HydrophobicContact CD1-CB 3.81Å; I618-Q629 HydrophobicContact CG1-CB 4.26Å; Q629-N631 WeakPolarHBondContact CG-O 3.11Å; Q629-N631 PolarHBondContact NE2-O 3.1Å; Q629-D633 CarbonylContact C-O 3.52Å; Q629-D633 WeakPolarHBondContact CA-O 3.4Å; Q629-L634 HydrophobicContact CB-CD2 4.13Å; Q629-L634 HydrophobicContact CG-CD2 4.35Å; Q629-L795 HydrophobicContact CG-CD1 4.35Å
630	H	89.7	Confident	92.7	Very high	41 Å²	41	42.6 Å²	42.6	19%	0.19	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	119	164	-171.7	-106.7	0	0	0	108.2	L615 Q632 D633 F635	L615-H630 HydrophobicContact CD2-CB 3.65Å; H630-Q632 PolarHBondContact O-N 2.74Å; H630-Q632 VanDerWaalsContact O-N 3.11Å; H630-D633 PolarHBondContact N-O 2.89Å; H630-D633 PolarHBondContact O-N 3.31Å; H630-F635 HydrophobicContact CB-CD2 4.2Å; H630-F635 HydrophobicContact CB-CE2 3.8Å
631	N	86.1	Confident	92.7	Very high	121 Å²	121	40.2 Å²	40.2	65%	0.647	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	-119.4	-175.8	-56.6	-22.3	0	0	0	111.4	Q629	Q629-N631 WeakPolarHBondContact CG-O 3.11Å; Q629-N631 PolarHBondContact NE2-O 3.1Å
632	Q	85.3	Confident	92.7	Very high	89 Å²	89	34.7 Å²	34.7	42%	0.416	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	8.5	177.5	-69.8	169.5	-21.4	0	0	112.3	H630 H794 L795 N796	H630-Q632 PolarHBondContact O-N 2.74Å; H630-Q632 VanDerWaalsContact O-N 3.11Å; Q632-H794 CarbonylContact O-C 3.56Å; Q632-L795 VanDerWaalsContact O-CB 3.27Å; Q632-L795 WeakPolarHBondContact O-CB 3.22Å; Q632-L795 WeakPolarHBondContact O-CG 3.16Å; Q632-L795 PolarHBondContact O-N 3.43Å; Q632-N796 PolarHBondContact NE2-OD1 3.33Å; Q632-N796 VanDerWaalsContact OE1-CG 3.3Å; Q632-N796 PolarHBondContact OE1-ND2 3.38Å; Q632-N796 PolarHBondContact OE1-OD1 2.9Å
633	D	88.3	Confident	92.9	Very high	28 Å²	28	29 Å²	29	15%	0.15	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	138	-176.7	-68	-67	0	0	0	112.3	Q629 H630 F635 H791 H794	Q629-D633 CarbonylContact C-O 3.52Å; Q629-D633 WeakPolarHBondContact CA-O 3.4Å; H630-D633 PolarHBondContact N-O 2.89Å; H630-D633 PolarHBondContact O-N 3.31Å; D633-F635 HydrophobicContact CB-CD2 4.37Å; D633-F635 HydrophobicContact CB-CE2 3.45Å; D633-F635 VanDerWaalsContact CB-CE2 3.45Å; D633-F635 HydrophobicContact CB-CZ 3.83Å; D633-H791 IonicContact OD1-CD2 3.7Å; D633-H791 IonicContact OD1-CE1 2.77Å; D633-H791 IonicContact OD1-NE2 2.71Å; D633-H791 PolarHBondContact OD1-NE2 2.66Å; D633-H794 IonicContact OD1-CE1 3.87Å; D633-H794 IonicContact OD1-CG 3.51Å; D633-H794 IonicContact OD1-ND1 2.76Å; D633-H794 PolarHBondContact OD1-ND1 2.91Å; D633-H794 IonicContact OD2-ND1 3.61Å
634	L	91.6	Very high	93	Very high	27 Å²	27	25.2 Å²	25.2	14%	0.141	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	135.8	171	-67.4	-178.9	0	0	0	110.4	I618 I627 Q629 L792 Y793 L795	I618-L634 HydrophobicContact CD1-CD2 3.22Å; I627-L634 HydrophobicContact CG2-CD2 4.48Å; Q629-L634 HydrophobicContact CB-CD2 4.13Å; Q629-L634 HydrophobicContact CG-CD2 4.35Å; L634-L792 HydrophobicContact CB-CB 4.22Å; L634-L792 HydrophobicContact CB-CD2 4.45Å; L634-L792 WeakPolarHBondContact O-CB 3.45Å; L634-L792 PolarHBondContact O-N 3.49Å; L634-Y793 PolarHBondContact N-O 3.45Å; L634-Y793 PolarHBondContact O-N 3.44Å; L634-L795 HydrophobicContact CD1-CD2 3.74Å; L634-L795 HydrophobicContact CD1-CG 4.38Å; L634-L795 HydrophobicContact CD2-CD1 4.23Å; L634-L795 HydrophobicContact CG-CD1 4.22Å; L634-L795 HydrophobicContact CG-CD2 3.94Å; L634-L795 HydrophobicContact CG-CG 4.03Å
635	F	93.2	Very high	93.2	Very high	10 Å²	10	26 Å²	26	4%	0.044	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	140.8	176.3	-65.3	-86.2	0	0	0	109.8	F607 L615 I627 A628 H630 D633 I637 M789 R790 H791	F607-F635 HydrophobicContact CE2-CD1 4.33Å; F607-F635 AromaticContact CE2-CE1 3.5Å; F607-F635 HydrophobicContact CE2-CE1 3.5Å; F607-F635 VanDerWaalsContact CE2-CE1 3.5Å; F607-F635 HydrophobicContact CE2-CE2 4.4Å; F607-F635 AromaticContact CE2-CZ 3.56Å; F607-F635 HydrophobicContact CE2-CZ 3.56Å; F607-F635 AromaticContact CZ-CD1 3.93Å; F607-F635 HydrophobicContact CZ-CD1 3.93Å; F607-F635 HydrophobicContact CZ-CD2 4.21Å; F607-F635 AromaticContact CZ-CE1 3.42Å; F607-F635 HydrophobicContact CZ-CE1 3.42Å; F607-F635 VanDerWaalsContact CZ-CE1 3.42Å; F607-F635 AromaticContact CZ-CE2 3.73Å; F607-F635 HydrophobicContact CZ-CE2 3.73Å; F607-F635 HydrophobicContact CZ-CG 4.31Å; F607-F635 AromaticContact CZ-CZ 3.32Å; F607-F635 HydrophobicContact CZ-CZ 3.32Å; L615-F635 HydrophobicContact CD2-CD2 4.4Å; I627-F635 WeakPolarHBondContact CA-O 3.27Å; A628-F635 PolarHBondContact N-O 2.86Å; A628-F635 PolarHBondContact O-N 3Å; H630-F635 HydrophobicContact CB-CD2 4.2Å; H630-F635 HydrophobicContact CB-CE2 3.8Å; D633-F635 HydrophobicContact CB-CD2 4.37Å; D633-F635 HydrophobicContact CB-CE2 3.45Å; D633-F635 VanDerWaalsContact CB-CE2 3.45Å; D633-F635 HydrophobicContact CB-CZ 3.83Å; F635-I637 HydrophobicContact CB-CD1 4.02Å; F635-M789 HydrophobicContact CD1-CE 4.17Å; F635-R790 WeakPolarHBondContact CA-O 3.48Å; F635-H791 HydrophobicContact CD1-CB 4.25Å; F635-H791 HydrophobicContact CE1-CB 3.88Å; F635-H791 AromaticContact CE1-CD2 3.81Å; F635-H791 AromaticContact CZ-CD2 3.79Å
636	I	95	Very high	93.1	Very high	35 Å²	35	26.1 Å²	26.1	18%	0.179	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.4	170	-172.2	166	0	0	0	108.6	F625 I627 M789 R790 L792	F625-I636 HydrophobicContact CB-CD1 3.88Å; F625-I636 HydrophobicContact CB-CG1 3.72Å; F625-I636 HydrophobicContact CD1-CD1 3.93Å; F625-I636 HydrophobicContact CD1-CG1 3.84Å; F625-I636 HydrophobicContact CD2-CD1 4.37Å; F625-I636 HydrophobicContact CG-CD1 3.8Å; F625-I636 HydrophobicContact CG-CG1 3.95Å; I627-I636 HydrophobicContact CD1-CB 4.05Å; I627-I636 HydrophobicContact CD1-CD1 4.06Å; I627-I636 HydrophobicContact CD1-CG1 3.79Å; I636-M789 CarbonylContact O-C 3.59Å; I636-M789 VanDerWaalsContact O-CA 3.3Å; I636-M789 WeakPolarHBondContact O-CA 3.32Å; I636-R790 HydrophobicContact CG2-CB 3.98Å; I636-R790 PolarHBondContact N-O 3.42Å; I636-R790 PolarHBondContact O-N 3.26Å; I636-L792 HydrophobicContact CG2-CB 4.48Å; I636-L792 HydrophobicContact CG2-CD1 4.43Å
637	I	95.5	Very high	93	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	128.2	-178	-59.6	90.5	0	0	0	108.2	F625 I626 A628 F635 Q639 S642 L770 M773 T788 M789	F625-I637 CarbonylContact C-O 3.46Å; F625-I637 WeakPolarHBondContact CA-O 3.42Å; I626-I637 HydrophobicContact CB-CB 4.24Å; I626-I637 PolarHBondContact N-O 3.41Å; I626-I637 WeakPolarHBondContact O-CD1 3.48Å; I626-I637 PolarHBondContact O-N 2.95Å; A628-I637 HydrophobicContact CB-CD1 3.6Å; F635-I637 HydrophobicContact CB-CD1 4.02Å; I637-Q639 PolarHBondContact O-N 2.9Å; I637-S642 VanDerWaalsContact CG2-OG 3.25Å; I637-S642 WeakPolarHBondContact CG2-OG 3.17Å; I637-L770 HydrophobicContact CB-CD2 4.36Å; I637-L770 HydrophobicContact CD1-CD2 3.98Å; I637-L770 HydrophobicContact CG1-CD2 3.83Å; I637-L770 HydrophobicContact CG2-CD2 4.22Å; I637-M773 HydrophobicContact CG2-CE 4.33Å; I637-M773 HydrophobicContact CG2-SD 3.75Å; I637-T788 CarbonylContact C-O 3.54Å; I637-T788 WeakPolarHBondContact CA-O 3.48Å; I637-T788 WeakPolarHBondContact CG2-O 3.46Å; I637-M789 HydrophobicContact CG1-CB 4.14Å
638	D	95.4	Very high	92.8	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.032	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	112.5	173.2	-170.9	-49.3	0	0	0	109.7	F625 H640 A641 S642 R786 T788	F625-D638 HydrophobicContact CD1-CB 4.28Å; F625-D638 HydrophobicContact CE1-CB 4.2Å; D638-H640 VanDerWaalsContact C-N 3.28Å; D638-H640 PolarHBondContact O-N 3.48Å; D638-H640 PolarHBondContact OD1-N 3.4Å; D638-A641 HydrophobicContact CB-CB 3.86Å; D638-A641 PolarHBondContact OD1-N 3.34Å; D638-S642 VanDerWaalsContact O-CB 3.24Å; D638-S642 WeakPolarHBondContact O-CB 3.43Å; D638-S642 PolarHBondContact O-N 3.45Å; D638-S642 PolarHBondContact O-OG 3.21Å; D638-R786 IonicContact OD2-CZ 2.98Å; D638-R786 IonicContact OD2-NE 3.22Å; D638-R786 PolarHBondContact OD2-NE 2.84Å; D638-R786 IonicContact OD2-NH2 3Å; D638-R786 PolarHBondContact OD2-NH2 3.05Å; D638-T788 PolarHBondContact N-O 3.35Å
639	Q	94	Very high	92.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66.2	-34	-173.5	80.9	-168.4	35.1	0	0	112.1	L623 G624 I626 I637 D643 V755 M756 T759 L761 I769	L623-Q639 PolarHBondContact O-NE2 3.31Å; G624-Q639 VanDerWaalsContact C-OE1 3.24Å; G624-Q639 VanDerWaalsContact O-CG 3.26Å; G624-Q639 WeakPolarHBondContact O-CG 3.39Å; G624-Q639 PolarHBondContact O-N 3.27Å; G624-Q639 VanDerWaalsContact O-N 3.15Å; G624-Q639 PolarHBondContact O-OE1 2.92Å; I626-Q639 HydrophobicContact CD1-CB 4.09Å; I626-Q639 HydrophobicContact CG1-CB 4.14Å; I637-Q639 PolarHBondContact O-N 2.9Å; Q639-D643 WeakPolarHBondContact O-CB 3.43Å; Q639-D643 PolarHBondContact O-N 3.29Å; Q639-V755 HydrophobicContact CG-CG1 3.94Å; Q639-M756 PolarHBondContact NE2-O 3.1Å; Q639-T759 PolarHBondContact NE2-O 3.03Å; Q639-L761 HydrophobicContact CB-CD1 3.88Å; Q639-L761 HydrophobicContact CG-CD1 4.19Å; Q639-I769 HydrophobicContact CB-CD1 4.43Å
640	H	93.8	Very high	92.7	Very high	27 Å²	27	30.7 Å²	30.7	13%	0.125	15%	0.145	C	C	.	.	H	α-helix	trans	-76.4	-52.1	-178.6	175.5	69	0	0	0	110	D638 S642 D643 E644 V755 I757	D638-H640 VanDerWaalsContact C-N 3.28Å; D638-H640 PolarHBondContact O-N 3.48Å; D638-H640 PolarHBondContact OD1-N 3.4Å; H640-S642 VanDerWaalsContact C-N 3.34Å; H640-S642 PolarHBondContact O-N 3.37Å; H640-D643 PolarHBondContact O-N 3.05Å; H640-E644 IonicContact CE1-OE2 3.73Å; H640-E644 IonicContact NE2-OE2 3.92Å; H640-E644 PolarHBondContact NE2-OE2 3.33Å; H640-E644 VanDerWaalsContact O-CB 3.23Å; H640-E644 WeakPolarHBondContact O-CB 3.49Å; H640-E644 PolarHBondContact O-N 2.77Å; H640-V755 WeakPolarHBondContact CA-O 3.38Å; H640-V755 WeakPolarHBondContact CB-O 3.27Å; H640-V755 PolarHBondContact ND1-O 2.88Å; H640-I757 HydrophobicContact CB-CG1 3.88Å
641	A	93.7	Very high	92.8	Very high	1 Å²	1	31 Å²	31	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-63	-39.2	-176.8	0	0	0	0	0	112.3	D638 K645 C782 R786 T788	D638-A641 HydrophobicContact CB-CB 3.86Å; D638-A641 PolarHBondContact OD1-N 3.34Å; A641-K645 WeakPolarHBondContact O-CB 3.3Å; A641-K645 PolarHBondContact O-N 2.92Å; A641-C782 HydrophobicContact CB-CB 4.07Å; A641-R786 HydrophobicContact CB-CG 4.34Å; A641-T788 HydrophobicContact CB-CG2 4.33Å
642	S	94.7	Very high	92.9	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.007	12%	0.121	C	C	.	.	H	α-helix	trans	-67.1	-43.8	179.3	-56.2	0	0	0	0	112.1	I637 D638 H640 K645 Y646 T788	I637-S642 VanDerWaalsContact CG2-OG 3.25Å; I637-S642 WeakPolarHBondContact CG2-OG 3.17Å; D638-S642 VanDerWaalsContact O-CB 3.24Å; D638-S642 WeakPolarHBondContact O-CB 3.43Å; D638-S642 PolarHBondContact O-N 3.45Å; D638-S642 PolarHBondContact O-OG 3.21Å; H640-S642 VanDerWaalsContact C-N 3.34Å; H640-S642 PolarHBondContact O-N 3.37Å; S642-K645 PolarHBondContact O-N 2.94Å; S642-Y646 PolarHBondContact O-N 3.39Å; S642-Y646 VanDerWaalsContact O-N 3.1Å; S642-T788 WeakPolarHBondContact OG-CB 3.47Å; S642-T788 PolarHBondContact OG-O 3.17Å
643	D	95.1	Very high	93	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.027	12%	0.12	C	C	.	.	H	α-helix	trans	-75.2	-34.6	-178	-163.7	36.1	0	0	0	111.8	Q639 H640 R647 V755 I769	Q639-D643 WeakPolarHBondContact O-CB 3.43Å; Q639-D643 PolarHBondContact O-N 3.29Å; H640-D643 PolarHBondContact O-N 3.05Å; D643-R647 PolarHBondContact O-N 2.85Å; D643-R647 PolarHBondContact O-NH1 2.91Å; D643-R647 IonicContact OD1-CZ 3.58Å; D643-R647 IonicContact OD1-NH1 3.96Å; D643-R647 PolarHBondContact OD1-NH1 3.2Å; D643-R647 IonicContact OD1-NH2 3.9Å; D643-R647 IonicContact OD2-CZ 2.8Å; D643-R647 IonicContact OD2-NH1 2.88Å; D643-R647 PolarHBondContact OD2-NH1 2.84Å; D643-R647 IonicContact OD2-NH2 2.6Å; D643-R647 PolarHBondContact OD2-NH2 3.21Å; D643-V755 VanDerWaalsContact OD2-CG2 3.24Å; D643-V755 WeakPolarHBondContact OD2-CG2 3.26Å; D643-V755 PolarHBondContact OD2-N 3.42Å; D643-V755 VanDerWaalsContact OD2-N 3.1Å; D643-I769 HydrophobicContact CB-CD1 4.4Å; D643-I769 HydrophobicContact CB-CG1 4.38Å
644	E	94.2	Very high	93.2	Very high	5 Å²	5	29.4 Å²	29.4	2%	0.023	14%	0.14	C	C	.	.	H	α-helix	trans	-60.3	-48	168	177.8	-177.7	116.3	0	0	111.1	H640 Y646 R647 F648 S750 C751 A754 P783 H784	H640-E644 IonicContact CE1-OE2 3.73Å; H640-E644 IonicContact NE2-OE2 3.92Å; H640-E644 PolarHBondContact NE2-OE2 3.33Å; H640-E644 VanDerWaalsContact O-CB 3.23Å; H640-E644 WeakPolarHBondContact O-CB 3.49Å; H640-E644 PolarHBondContact O-N 2.77Å; E644-Y646 PolarHBondContact O-N 3.42Å; E644-R647 PolarHBondContact O-N 3.23Å; E644-F648 WeakPolarHBondContact O-CB 3.38Å; E644-F648 PolarHBondContact O-N 3.36Å; E644-S750 WeakPolarHBondContact O-CB 2.97Å; E644-C751 HydrophobicContact CG-CB 4.38Å; E644-C751 WeakPolarHBondContact OE2-CA 3.38Å; E644-C751 VanDerWaalsContact OE2-CB 3.22Å; E644-C751 WeakPolarHBondContact OE2-CB 3.38Å; E644-C751 PolarHBondContact OE2-SG 2.83Å; E644-A754 HydrophobicContact CB-CB 3.9Å; E644-P783 WeakPolarHBondContact OE1-CD 3.36Å; E644-H784 IonicContact OE1-CE1 3.94Å; E644-H784 PolarHBondContact OE1-CE1 2.83Å; E644-H784 VanDerWaalsContact OE1-CE1 3.26Å; E644-H784 IonicContact OE1-CG 3.1Å; E644-H784 IonicContact OE1-ND1 3.15Å; E644-H784 PolarHBondContact OE1-ND1 2.84Å; E644-H784 IonicContact OE2-ND1 2.75Å
645	K	94.1	Very high	93.1	Very high	18 Å²	18	31.1 Å²	31.1	8%	0.078	15%	0.146	C	C	.	.	H	α-helix	trans	-62.6	-43.4	-177.5	-177.7	48.3	178.5	157.5	0	112.1	A641 S642 F648 E649 M776 H778 N781 T788	A641-K645 WeakPolarHBondContact O-CB 3.3Å; A641-K645 PolarHBondContact O-N 2.92Å; S642-K645 PolarHBondContact O-N 2.94Å; K645-F648 PolarHBondContact O-N 2.91Å; K645-E649 HydrophobicContact CD-CG 4.44Å; K645-E649 WeakPolarHBondContact CE-OE1 3.44Å; K645-E649 IonicContact NZ-OE1 2.55Å; K645-E649 PolarHBondContact NZ-OE1 3.12Å; K645-E649 PolarHBondContact O-N 3.44Å; K645-M776 HydrophobicContact CB-CE 4.43Å; K645-M776 HydrophobicContact CB-SD 4.01Å; K645-M776 HydrophobicContact CG-CE 4.28Å; K645-M776 HydrophobicContact CG-SD 3.6Å; K645-H778 WeakPolarHBondContact CE-O 3.29Å; K645-N781 WeakPolarHBondContact CD-O 3.11Å; K645-N781 VanDerWaalsContact CE-O 3.22Å; K645-N781 WeakPolarHBondContact CE-O 3.44Å; K645-N781 WeakPolarHBondContact CG-O 3.41Å; K645-T788 HydrophobicContact CB-CG2 4.33Å
646	Y	95.2	Very high	93	Very high	58 Å²	58	39.3 Å²	39.3	23%	0.227	18%	0.176	C	C	.	.	H	α-helix	trans	-59.6	-50.2	175.8	173.2	-102.9	0	0	0	111.6	S642 E644 F648 E649 Q650 N772 S775 M776	S642-Y646 PolarHBondContact O-N 3.39Å; S642-Y646 VanDerWaalsContact O-N 3.1Å; E644-Y646 PolarHBondContact O-N 3.42Å; Y646-F648 VanDerWaalsContact C-N 3.29Å; Y646-F648 PolarHBondContact O-N 3.13Å; Y646-E649 PolarHBondContact O-N 2.82Å; Y646-Q650 HydrophobicContact CE1-CG 4.1Å; Y646-Q650 HydrophobicContact CE2-CG 4.16Å; Y646-Q650 WeakPolarHBondContact O-CG 3.27Å; Y646-Q650 PolarHBondContact O-N 2.81Å; Y646-Q650 VanDerWaalsContact O-N 3.1Å; Y646-N772 HydrophobicContact CD1-CB 4.25Å; Y646-N772 HydrophobicContact CD2-CB 3.66Å; Y646-N772 HydrophobicContact CE2-CB 3.97Å; Y646-N772 HydrophobicContact CG-CB 3.8Å; Y646-S775 WeakPolarHBondContact CE2-OG 3.33Å; Y646-M776 WeakPolarHBondContact CA-SD 3.29Å; Y646-M776 HydrophobicContact CD2-CG 4.09Å; Y646-M776 PolarHBondContact N-SD 3.45Å
647	R	93.7	Very high	92.8	Very high	62 Å²	62	38.7 Å²	38.7	23%	0.234	17%	0.172	C	C	.	.	H	α-helix	trans	-61.7	-38.6	177.3	-75.7	-171.2	-165.7	75.3	-5.4	112.4	D643 E644 E649 Q650 L651 S753	D643-R647 PolarHBondContact O-N 2.85Å; D643-R647 PolarHBondContact O-NH1 2.91Å; D643-R647 IonicContact OD1-CZ 3.58Å; D643-R647 IonicContact OD1-NH1 3.96Å; D643-R647 PolarHBondContact OD1-NH1 3.2Å; D643-R647 IonicContact OD1-NH2 3.9Å; D643-R647 IonicContact OD2-CZ 2.8Å; D643-R647 IonicContact OD2-NH1 2.88Å; D643-R647 PolarHBondContact OD2-NH1 2.84Å; D643-R647 IonicContact OD2-NH2 2.6Å; D643-R647 PolarHBondContact OD2-NH2 3.21Å; E644-R647 PolarHBondContact O-N 3.23Å; R647-E649 PolarHBondContact O-N 3.35Å; R647-Q650 PolarHBondContact O-N 2.98Å; R647-L651 WeakPolarHBondContact O-CB 3.37Å; R647-L651 VanDerWaalsContact O-CG 3.29Å; R647-L651 WeakPolarHBondContact O-CG 3.48Å; R647-L651 PolarHBondContact O-N 2.96Å; R647-S753 PolarHBondContact NE-O 3.38Å; R647-S753 VanDerWaalsContact NE-O 3.14Å; R647-S753 PolarHBondContact NH2-O 2.98Å; R647-S753 VanDerWaalsContact NH2-O 3.14Å
648	F	93.1	Very high	92.5	Very high	11 Å²	11	47.4 Å²	47.4	5%	0.048	21%	0.21	C	C	.	.	H	α-helix	trans	-61.7	-42.8	178	175.8	-97.3	0	0	0	112.3	E644 K645 Y646 L651 S652 R743 L746 A747 P783	E644-F648 WeakPolarHBondContact O-CB 3.38Å; E644-F648 PolarHBondContact O-N 3.36Å; K645-F648 PolarHBondContact O-N 2.91Å; Y646-F648 VanDerWaalsContact C-N 3.29Å; Y646-F648 PolarHBondContact O-N 3.13Å; F648-L651 PolarHBondContact O-N 2.8Å; F648-S652 WeakPolarHBondContact CE1-OG 3.14Å; F648-S652 WeakPolarHBondContact CZ-OG 3.36Å; F648-S652 VanDerWaalsContact O-CB 3.24Å; F648-S652 WeakPolarHBondContact O-CB 3.31Å; F648-S652 PolarHBondContact O-N 2.74Å; F648-S652 PolarHBondContact O-OG 3.35Å; F648-R743 HydrophobicContact CE2-CG 4Å; F648-R743 HydrophobicContact CZ-CG 3.61Å; F648-L746 HydrophobicContact CD2-CB 4.21Å; F648-L746 HydrophobicContact CE2-CB 4Å; F648-A747 HydrophobicContact CD2-CB 4.07Å; F648-A747 HydrophobicContact CE2-CB 3.97Å; F648-P783 HydrophobicContact CB-CG 3.47Å; F648-P783 VanDerWaalsContact CB-CG 3.47Å; F648-P783 HydrophobicContact CD1-CB 4.3Å; F648-P783 HydrophobicContact CD1-CG 3.57Å; F648-P783 HydrophobicContact CD2-CB 4.05Å; F648-P783 HydrophobicContact CD2-CG 3.59Å; F648-P783 HydrophobicContact CE1-CB 4.43Å; F648-P783 HydrophobicContact CE1-CG 4.17Å; F648-P783 HydrophobicContact CE2-CB 4.19Å; F648-P783 HydrophobicContact CE2-CG 4.19Å; F648-P783 HydrophobicContact CG-CB 4.09Å; F648-P783 HydrophobicContact CG-CG 3.22Å; F648-P783 HydrophobicContact CZ-CB 4.38Å; F648-P783 HydrophobicContact CZ-CG 4.44Å
649	E	92.4	Very high	92.3	Very high	25 Å²	25	50.3 Å²	50.3	12%	0.117	23%	0.231	C	C	.	.	H	α-helix	trans	-65.3	-43.7	176.5	-70.4	-169.1	176.3	0	0	111.2	K645 Y646 R647 L651 S652 E653 M776 D777 H778	K645-E649 HydrophobicContact CD-CG 4.44Å; K645-E649 WeakPolarHBondContact CE-OE1 3.44Å; K645-E649 IonicContact NZ-OE1 2.55Å; K645-E649 PolarHBondContact NZ-OE1 3.12Å; K645-E649 PolarHBondContact O-N 3.44Å; Y646-E649 PolarHBondContact O-N 2.82Å; R647-E649 PolarHBondContact O-N 3.35Å; E649-L651 PolarHBondContact O-N 3.26Å; E649-S652 PolarHBondContact O-N 3.06Å; E649-E653 WeakPolarHBondContact O-CB 3.25Å; E649-E653 PolarHBondContact O-N 3.22Å; E649-M776 VanDerWaalsContact OE2-CA 3.27Å; E649-M776 WeakPolarHBondContact OE2-CA 3.15Å; E649-M776 VanDerWaalsContact OE2-CB 3.32Å; E649-M776 WeakPolarHBondContact OE2-CB 3.27Å; E649-D777 PolarHBondContact OE2-N 2.74Å; E649-H778 PolarHBondContact OE1-N 2.82Å; E649-H778 VanDerWaalsContact OE1-N 3.12Å
650	Q	92	Very high	92	Very high	74 Å²	74	54 Å²	54	35%	0.346	25%	0.248	S	C	.	.	H	α-helix	trans	-60	-44.8	174.9	-67.7	-59.1	-37.3	0	0	112.6	Y646 R647 E653 N654	Y646-Q650 HydrophobicContact CE1-CG 4.1Å; Y646-Q650 HydrophobicContact CE2-CG 4.16Å; Y646-Q650 WeakPolarHBondContact O-CG 3.27Å; Y646-Q650 PolarHBondContact O-N 2.81Å; Y646-Q650 VanDerWaalsContact O-N 3.1Å; R647-Q650 PolarHBondContact O-N 2.98Å; Q650-E653 PolarHBondContact O-N 3.13Å; Q650-N654 WeakPolarHBondContact O-CB 3.33Å; Q650-N654 PolarHBondContact O-N 3.36Å; Q650-N654 PolarHBondContact O-ND2 3.16Å; Q650-N654 PolarHBondContact OE1-ND2 3.47Å
651	L	91.9	Very high	92	Very high	47 Å²	47	56.7 Å²	56.7	25%	0.246	27%	0.268	C	S	.	.	H	α-helix	trans	-66.4	-41.3	175.6	-74	175.5	0	0	0	111.5	R647 F648 E649 E653 Y655 L746 R749	R647-L651 WeakPolarHBondContact O-CB 3.37Å; R647-L651 VanDerWaalsContact O-CG 3.29Å; R647-L651 WeakPolarHBondContact O-CG 3.48Å; R647-L651 PolarHBondContact O-N 2.96Å; F648-L651 PolarHBondContact O-N 2.8Å; E649-L651 PolarHBondContact O-N 3.26Å; L651-E653 PolarHBondContact O-N 3.31Å; L651-Y655 HydrophobicContact CD2-CD2 4.14Å; L651-Y655 WeakPolarHBondContact O-CA 3.43Å; L651-Y655 WeakPolarHBondContact O-CB 3.33Å; L651-Y655 PolarHBondContact O-N 3.33Å; L651-L746 HydrophobicContact CB-CD2 4.32Å; L651-R749 HydrophobicContact CD1-CB 4.12Å
652	S	89.7	Confident	91.8	Very high	14 Å²	14	59 Å²	59	10%	0.098	28%	0.28	C	S	.	.	H	α-helix	trans	-60.5	-36.4	178.8	-64.9	0	0	0	0	112	F648 E649 R738	F648-S652 WeakPolarHBondContact CE1-OG 3.14Å; F648-S652 WeakPolarHBondContact CZ-OG 3.36Å; F648-S652 VanDerWaalsContact O-CB 3.24Å; F648-S652 WeakPolarHBondContact O-CB 3.31Å; F648-S652 PolarHBondContact O-N 2.74Å; F648-S652 PolarHBondContact O-OG 3.35Å; E649-S652 PolarHBondContact O-N 3.06Å; S652-R738 PolarHBondContact O-NE 3.15Å; S652-R738 VanDerWaalsContact O-NE 3.09Å; S652-R738 PolarHBondContact O-NH2 2.78Å
653	E	87.7	Confident	91.5	Very high	83 Å²	83	66 Å²	66	39%	0.388	32%	0.323	S	S	.	.	H	α-helix	trans	-77.8	-51.7	178.5	-172.4	150.7	-167.7	0	0	112.6	E649 Q650 L651 K736	E649-E653 WeakPolarHBondContact O-CB 3.25Å; E649-E653 PolarHBondContact O-N 3.22Å; Q650-E653 PolarHBondContact O-N 3.13Å; L651-E653 PolarHBondContact O-N 3.31Å; E653-K736 IonicContact OE1-NZ 2.66Å; E653-K736 IonicContact OE2-NZ 3.58Å; E653-K736 PolarHBondContact OE2-NZ 3.45Å
654	N	90.5	Very high	91.3	Very high	108 Å²	108	71.1 Å²	71.1	58%	0.578	35%	0.354	S	S	*	.	H	α-helix	trans	-95.2	-22.4	-166.6	-61.9	-40.8	0	0	0	114.3	Q650 R656	Q650-N654 WeakPolarHBondContact O-CB 3.33Å; Q650-N654 PolarHBondContact O-N 3.36Å; Q650-N654 PolarHBondContact O-ND2 3.16Å; Q650-N654 PolarHBondContact OE1-ND2 3.47Å; N654-R656 PolarHBondContact O-N 3.14Å
655	Y	90.9	Very high	91.1	Very high	64 Å²	64	73.3 Å²	73.3	25%	0.251	37%	0.368	S	S	.	.			trans	-71.5	128.9	-172.7	-165.4	-91.7	0	0	0	112	L651 F657 R738 L746 R749	L651-Y655 HydrophobicContact CD2-CD2 4.14Å; L651-Y655 WeakPolarHBondContact O-CA 3.43Å; L651-Y655 WeakPolarHBondContact O-CB 3.33Å; L651-Y655 PolarHBondContact O-N 3.33Å; Y655-F657 HydrophobicContact CD1-CD1 4.16Å; Y655-F657 AromaticContact CD1-CD2 3.84Å; Y655-F657 HydrophobicContact CD1-CD2 3.84Å; Y655-F657 HydrophobicContact CD1-CE1 4.05Å; Y655-F657 AromaticContact CD1-CE2 3.74Å; Y655-F657 HydrophobicContact CD1-CE2 3.74Å; Y655-F657 HydrophobicContact CD1-CG 4.06Å; Y655-F657 AromaticContact CD1-CZ 3.85Å; Y655-F657 HydrophobicContact CD1-CZ 3.85Å; Y655-F657 AromaticContact CE1-CD1 3.58Å; Y655-F657 HydrophobicContact CE1-CD1 3.58Å; Y655-F657 HydrophobicContact CE1-CD2 4.09Å; Y655-F657 AromaticContact CE1-CE1 3.63Å; Y655-F657 HydrophobicContact CE1-CE1 3.63Å; Y655-F657 HydrophobicContact CE1-CE2 4.15Å; Y655-F657 AromaticContact CE1-CG 3.83Å; Y655-F657 HydrophobicContact CE1-CG 3.83Å; Y655-F657 AromaticContact CE1-CZ 3.93Å; Y655-F657 HydrophobicContact CE1-CZ 3.93Å; Y655-R738 PolarHBondContact O-NH1 2.91Å; Y655-R738 PolarHBondContact O-NH2 2.87Å; Y655-L746 HydrophobicContact CD1-CD2 3.72Å; Y655-L746 HydrophobicContact CD2-CD2 4.42Å; Y655-L746 HydrophobicContact CE1-CD2 4.37Å; Y655-L746 HydrophobicContact CG-CD2 3.77Å; Y655-R749 PolarHBondContact OH-NH1 2.84Å; Y655-R749 PolarHBondContact OH-NH2 3.4Å
656	R	91.1	Very high	90.9	Very high	182 Å²	182	77 Å²	77	69%	0.687	39%	0.386	S	S	*	.			trans	-108.9	122.3	171.4	-71.1	-174.6	171.3	168.5	-2.6	109.7	N654 R687	N654-R656 PolarHBondContact O-N 3.14Å; R656-R687 HydrophobicContact CG-CG 4.3Å
657	F	90.6	Very high	90.5	Very high	22 Å²	22	78.1 Å²	78.1	10%	0.096	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-76.2	136.1	176.7	-74	-86.4	0	0	0	110.7	Y655 S659 R687 P710 L742 I745 L746	Y655-F657 HydrophobicContact CD1-CD1 4.16Å; Y655-F657 AromaticContact CD1-CD2 3.84Å; Y655-F657 HydrophobicContact CD1-CD2 3.84Å; Y655-F657 HydrophobicContact CD1-CE1 4.05Å; Y655-F657 AromaticContact CD1-CE2 3.74Å; Y655-F657 HydrophobicContact CD1-CE2 3.74Å; Y655-F657 HydrophobicContact CD1-CG 4.06Å; Y655-F657 AromaticContact CD1-CZ 3.85Å; Y655-F657 HydrophobicContact CD1-CZ 3.85Å; Y655-F657 AromaticContact CE1-CD1 3.58Å; Y655-F657 HydrophobicContact CE1-CD1 3.58Å; Y655-F657 HydrophobicContact CE1-CD2 4.09Å; Y655-F657 AromaticContact CE1-CE1 3.63Å; Y655-F657 HydrophobicContact CE1-CE1 3.63Å; Y655-F657 HydrophobicContact CE1-CE2 4.15Å; Y655-F657 AromaticContact CE1-CG 3.83Å; Y655-F657 HydrophobicContact CE1-CG 3.83Å; Y655-F657 AromaticContact CE1-CZ 3.93Å; Y655-F657 HydrophobicContact CE1-CZ 3.93Å; F657-S659 PolarHBondContact O-N 3.1Å; F657-R687 PolarHBondContact N-O 2.82Å; F657-P710 HydrophobicContact CB-CB 4.2Å; F657-L742 HydrophobicContact CD1-CD2 3.63Å; F657-L742 HydrophobicContact CD2-CD1 3.87Å; F657-L742 HydrophobicContact CD2-CD2 4.13Å; F657-L742 HydrophobicContact CD2-CG 4.42Å; F657-L742 HydrophobicContact CE1-CB 4.46Å; F657-L742 HydrophobicContact CE1-CD2 3.5Å; F657-L742 VanDerWaalsContact CE1-CD2 3.5Å; F657-L742 HydrophobicContact CE1-CG 4.45Å; F657-L742 HydrophobicContact CE2-CB 3.83Å; F657-L742 HydrophobicContact CE2-CD1 3.97Å; F657-L742 HydrophobicContact CE2-CD2 3.99Å; F657-L742 HydrophobicContact CE2-CG 4.14Å; F657-L742 HydrophobicContact CG-CD1 4.26Å; F657-L742 HydrophobicContact CG-CD2 3.95Å; F657-L742 HydrophobicContact CZ-CB 3.76Å; F657-L742 HydrophobicContact CZ-CD1 4.45Å; F657-L742 HydrophobicContact CZ-CD2 3.67Å; F657-L742 HydrophobicContact CZ-CG 4.15Å; F657-I745 HydrophobicContact CE1-CG2 4.2Å; F657-L746 HydrophobicContact CE2-CD1 4.26Å; F657-L746 HydrophobicContact CE2-CD2 4.16Å; F657-L746 HydrophobicContact CE2-CG 4.27Å; F657-L746 HydrophobicContact CZ-CD1 4.34Å; F657-L746 HydrophobicContact CZ-CD2 3.67Å; F657-L746 HydrophobicContact CZ-CG 3.86Å
658	K	88.4	Confident	90.1	Very high	182 Å²	182	75.3 Å²	75.3	79%	0.791	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-66	131.9	172.5	-66.3	-174	177.2	-175.5	0	109.4	P710	K658-P710 WeakPolarHBondContact O-CA 3.31Å
659	S	90.8	Very high	89.6	Confident	68 Å²	68	80.2 Å²	80.2	48%	0.476	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	142.5	176.7	58.6	0	0	0	0	110.8	F657 G689	F657-S659 PolarHBondContact O-N 3.1Å; S659-G689 WeakPolarHBondContact CB-O 3.43Å
660	Q	89.2	Confident	89.1	Confident	76 Å²	76	79.6 Å²	79.6	36%	0.355	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.7	170	177.5	62	45.5	0	0	108	A708 A709 M711	Q660-A708 VanDerWaalsContact O-CA 3.3Å; Q660-A708 WeakPolarHBondContact O-CA 3.41Å; Q660-A708 WeakPolarHBondContact O-CB 3.45Å; Q660-A709 PolarHBondContact N-O 3.43Å; Q660-A709 PolarHBondContact O-N 2.66Å; Q660-M711 HydrophobicContact CB-CB 3.73Å; Q660-M711 HydrophobicContact CB-SD 4.27Å; Q660-M711 HydrophobicContact CG-CB 4.4Å; Q660-M711 HydrophobicContact CG-CE 4.4Å; Q660-M711 HydrophobicContact CG-SD 3.92Å
661	P	92.5	Very high	88.4	Confident	85 Å²	85	78.4 Å²	78.4	55%	0.552	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	140.1	175.1	26.8	-34	0	0	0	110.9
662	L	90	Very high	87.8	Confident	48 Å²	48	76.9 Å²	76.9	25%	0.251	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	136.2	175.2	-58.8	178.5	0	0	0	109.8	V664 L706 V707	L662-V664 VanDerWaalsContact C-N 3.26Å; L662-V664 PolarHBondContact O-N 2.92Å; L662-L706 HydrophobicContact CD1-CD2 3.96Å; L662-L706 HydrophobicContact CD1-CG 3.86Å; L662-V707 WeakPolarHBondContact CB-O 3.37Å; L662-V707 PolarHBondContact N-O 3.35Å
663	V	89.5	Confident	87.3	Confident	150 Å²	150	77 Å²	77	91%	0.909	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.5	-37.7	176.6	178.6	0	0	0	0	111.2
664	V	90.1	Very high	87.2	Confident	112 Å²	112	73.9 Å²	73.9	68%	0.679	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.2	121.3	174.8	-178.6	0	0	0	0	108.2	L662 Q666	L662-V664 VanDerWaalsContact C-N 3.26Å; L662-V664 PolarHBondContact O-N 2.92Å; V664-Q666 PolarHBondContact O-N 3.02Å
665	P	90.9	Very high	87	Confident	51 Å²	51	68.8 Å²	68.8	33%	0.331	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	134	173.1	-25.7	34.9	0	0	0	111.6	L706 V707	P665-L706 CarbonylContact C-O 3.51Å; P665-L706 VanDerWaalsContact CA-O 3.24Å; P665-L706 WeakPolarHBondContact CA-O 3.22Å; P665-V707 HydrophobicContact CB-CG2 4.37Å
666	Q	88.4	Confident	86.7	Confident	95 Å²	95	67.6 Å²	67.6	44%	0.444	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	112.9	179.9	-178	-178.5	-8.6	0	0	110	V664 L668 S705 L706	V664-Q666 PolarHBondContact O-N 3.02Å; Q666-L668 PolarHBondContact O-N 3.42Å; Q666-S705 CarbonylContact O-C 3.53Å; Q666-S705 WeakPolarHBondContact O-CA 3.33Å; Q666-L706 HydrophobicContact CB-CB 4.3Å; Q666-L706 PolarHBondContact N-O 2.86Å; Q666-L706 PolarHBondContact O-N 3.35Å
667	K	86.4	Confident	86.4	Confident	82 Å²	82	59.7 Å²	59.7	36%	0.357	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	130.3	173.9	-162.9	177.2	-168	-174.7	0	110.1	E698 Q702	K667-E698 IonicContact NZ-OE2 2.74Å; K667-E698 PolarHBondContact NZ-OE2 3.4Å; K667-Q702 WeakPolarHBondContact CE-O 3.38Å
668	L	87.3	Confident	86.5	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.01	32%	0.319	C	S	.	.			trans	-97.4	130.4	178.4	-55.2	-172.5	0	0	0	109.9	Q666 L670 L678 F692 I704 L706 Y719 I722	Q666-L668 PolarHBondContact O-N 3.42Å; L668-L670 HydrophobicContact CB-CD1 4.25Å; L668-L670 HydrophobicContact CB-CG 4.08Å; L668-L670 HydrophobicContact CD1-CD1 4.43Å; L668-L670 PolarHBondContact O-N 2.97Å; L668-L678 HydrophobicContact CD1-CD1 4.35Å; L668-F692 HydrophobicContact CD1-CD1 4.11Å; L668-F692 HydrophobicContact CD1-CE1 3.75Å; L668-I704 WeakPolarHBondContact CB-O 3.45Å; L668-I704 HydrophobicContact CD1-CG2 4.05Å; L668-I704 PolarHBondContact N-O 3.41Å; L668-L706 HydrophobicContact CD1-CB 4.43Å; L668-L706 HydrophobicContact CD2-CB 4.04Å; L668-L706 HydrophobicContact CG-CB 4.32Å; L668-Y719 HydrophobicContact CB-CE2 4.38Å; L668-Y719 HydrophobicContact CD2-CD2 3.74Å; L668-Y719 HydrophobicContact CD2-CE2 4.4Å; L668-Y719 HydrophobicContact CG-CD2 4.48Å; L668-I722 HydrophobicContact CD1-CD1 4.17Å
669	N	80.7	Confident	86.5	Confident	114 Å²	114	52.1 Å²	52.1	61%	0.61	29%	0.292	S	S	*	.			trans	-96.7	89.1	173.4	-67.3	-30.2	0	0	0	108.5	Y719	N669-Y719 PolarHBondContact O-OH 2.64Å
670	L	82.6	Confident	86.4	Confident	12 Å²	12	53.5 Å²	53.5	6%	0.063	29%	0.294	C	S	.	.			trans	-99.8	152.2	-177.3	-67.3	171.2	0	0	0	110.5	L668 N674 E675 L678 G701 I704 Y719 L726	L668-L670 HydrophobicContact CB-CD1 4.25Å; L668-L670 HydrophobicContact CB-CG 4.08Å; L668-L670 HydrophobicContact CD1-CD1 4.43Å; L668-L670 PolarHBondContact O-N 2.97Å; L670-N674 HydrophobicContact CB-CB 4.3Å; L670-N674 HydrophobicContact CD2-CB 4.19Å; L670-E675 HydrophobicContact CB-CB 4.21Å; L670-E675 HydrophobicContact CD1-CB 4.48Å; L670-L678 HydrophobicContact CD1-CD1 3.64Å; L670-G701 PolarHBondContact N-O 3.38Å; L670-G701 VanDerWaalsContact O-CA 3.24Å; L670-G701 WeakPolarHBondContact O-CA 3.37Å; L670-G701 VanDerWaalsContact O-O 3.12Å; L670-I704 HydrophobicContact CD1-CB 4.49Å; L670-I704 HydrophobicContact CD1-CD1 4.05Å; L670-Y719 HydrophobicContact CD2-CE2 3.62Å; L670-Y719 HydrophobicContact CG-CE2 4.43Å; L670-L726 HydrophobicContact CD2-CD1 3.64Å
671	T	78.4	Confident	86.5	Confident	49 Å²	49	51 Å²	51	30%	0.301	28%	0.283	S	S	.	.			trans	-64	151.9	160.1	66	0	0	0	0	108.5	T673 N674 E675	T671-T673 PolarHBondContact O-N 3.28Å; T671-N674 PolarHBondContact O-N 2.5Å; T671-N674 VanDerWaalsContact OG1-CB 3.3Å; T671-N674 WeakPolarHBondContact OG1-CB 3.31Å; T671-N674 PolarHBondContact OG1-N 3.49Å; T671-N674 PolarHBondContact OG1-ND2 2.68Å; T671-E675 PolarHBondContact O-N 3.46Å
672	I	78.5	Confident	86.5	Confident	16 Å²	16	50 Å²	50	8%	0.082	27%	0.273	C	S	.	.	H	α-helix	trans	-60.7	-33.9	-178.5	-69.9	161.9	0	0	0	111.4	F179 V212 Q676 A700	F179-I672 HydrophobicContact CE1-CG2 3.97Å; V212-I672 HydrophobicContact CB-CD1 3.78Å; V212-I672 HydrophobicContact CG1-CD1 3.48Å; V212-I672 VanDerWaalsContact CG1-CD1 3.48Å; V212-I672 HydrophobicContact CG2-CD1 4.07Å; V212-I672 VanDerWaalsContact O-CD1 3.24Å; V212-I672 WeakPolarHBondContact O-CD1 3.32Å; I672-Q676 WeakPolarHBondContact O-CG 3.3Å; I672-Q676 PolarHBondContact O-N 3.27Å; I672-Q676 VanDerWaalsContact O-N 3.15Å; I672-A700 HydrophobicContact CD1-CB 4.01Å; I672-A700 HydrophobicContact CG1-CB 3.9Å
673	T	78.1	Confident	86.6	Confident	17 Å²	17	51.2 Å²	51.2	10%	0.104	28%	0.279	C	S	.	.	H	α-helix	trans	-57.5	-54.2	169.9	-56.8	0	0	0	0	111.5	A180 T671 E675 Q676 V677	A180-T673 WeakPolarHBondContact CA-OG1 3.25Å; A180-T673 HydrophobicContact CB-CG2 3.3Å; A180-T673 WeakPolarHBondContact CB-OG1 3.43Å; T671-T673 PolarHBondContact O-N 3.28Å; T673-E675 VanDerWaalsContact C-N 3.31Å; T673-E675 PolarHBondContact O-N 2.94Å; T673-Q676 PolarHBondContact O-N 3.33Å; T673-Q676 VanDerWaalsContact O-N 3.17Å; T673-V677 HydrophobicContact CG2-CG2 4.42Å; T673-V677 WeakPolarHBondContact O-CG2 3.38Å; T673-V677 PolarHBondContact O-N 3.16Å
674	N	86.5	Confident	86.8	Confident	16 Å²	16	44.1 Å²	44.1	9%	0.086	24%	0.236	C	C	.	.	H	α-helix	trans	-65.4	-36.4	-176.5	-74.9	-7.4	0	0	0	111.8	L670 T671 Q676 V677 L678 L726	L670-N674 HydrophobicContact CB-CB 4.3Å; L670-N674 HydrophobicContact CD2-CB 4.19Å; T671-N674 PolarHBondContact O-N 2.5Å; T671-N674 VanDerWaalsContact OG1-CB 3.3Å; T671-N674 WeakPolarHBondContact OG1-CB 3.31Å; T671-N674 PolarHBondContact OG1-N 3.49Å; T671-N674 PolarHBondContact OG1-ND2 2.68Å; N674-Q676 VanDerWaalsContact C-N 3.34Å; N674-Q676 PolarHBondContact O-N 2.99Å; N674-V677 PolarHBondContact O-N 3.23Å; N674-L678 WeakPolarHBondContact O-CB 3.5Å; N674-L678 PolarHBondContact O-N 3.26Å; N674-L726 HydrophobicContact CB-CD1 4.02Å; N674-L726 WeakPolarHBondContact O-CD2 3.4Å
675	E	86.8	Confident	87	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-57.6	-46.4	172.9	-171.1	177.8	71.6	0	0	111.5	L670 T671 T673 L678 I679 G701 Q702 Q703 I704	L670-E675 HydrophobicContact CB-CB 4.21Å; L670-E675 HydrophobicContact CD1-CB 4.48Å; T671-E675 PolarHBondContact O-N 3.46Å; T673-E675 VanDerWaalsContact C-N 3.31Å; T673-E675 PolarHBondContact O-N 2.94Å; E675-L678 WeakPolarHBondContact O-CB 3.19Å; E675-L678 PolarHBondContact O-N 3.48Å; E675-I679 HydrophobicContact CG-CD1 4.1Å; E675-I679 VanDerWaalsContact O-CG1 3.31Å; E675-I679 WeakPolarHBondContact O-CG1 3.22Å; E675-I679 PolarHBondContact O-N 3.24Å; E675-G701 PolarHBondContact OE1-N 3.48Å; E675-G701 WeakPolarHBondContact OE2-CA 3.33Å; E675-G701 PolarHBondContact OE2-N 3.26Å; E675-Q702 PolarHBondContact OE2-N 3.45Å; E675-Q703 WeakPolarHBondContact OE2-CB 3.24Å; E675-Q703 PolarHBondContact OE2-N 3.05Å; E675-I704 HydrophobicContact CB-CD1 4.41Å; E675-I704 HydrophobicContact CG-CD1 3.56Å; E675-I704 HydrophobicContact CG-CG1 3.92Å
676	Q	84.3	Confident	87.1	Confident	39 Å²	39	38.7 Å²	38.7	18%	0.182	21%	0.207	C	C	.	.	H	α-helix	trans	-68.4	-40	177.8	-66.6	-62.2	-61.3	0	0	112.6	I672 T673 N674 L678 I679 N680	I672-Q676 WeakPolarHBondContact O-CG 3.3Å; I672-Q676 PolarHBondContact O-N 3.27Å; I672-Q676 VanDerWaalsContact O-N 3.15Å; T673-Q676 PolarHBondContact O-N 3.33Å; T673-Q676 VanDerWaalsContact O-N 3.17Å; N674-Q676 VanDerWaalsContact C-N 3.34Å; N674-Q676 PolarHBondContact O-N 2.99Å; Q676-L678 VanDerWaalsContact C-N 3.26Å; Q676-L678 PolarHBondContact O-N 3.34Å; Q676-I679 PolarHBondContact O-N 3.29Å; Q676-N680 WeakPolarHBondContact O-CB 3.3Å; Q676-N680 VanDerWaalsContact O-CG 3.22Å; Q676-N680 PolarHBondContact O-N 2.76Å; Q676-N680 PolarHBondContact O-ND2 3.43Å
677	V	85.5	Confident	87.2	Confident	17 Å²	17	36.2 Å²	36.2	10%	0.103	19%	0.194	C	C	.	.	H	α-helix	trans	-60.7	-39.4	174.7	174.5	0	0	0	0	110.5	T673 N674 N681 L726 L729	T673-V677 HydrophobicContact CG2-CG2 4.42Å; T673-V677 WeakPolarHBondContact O-CG2 3.38Å; T673-V677 PolarHBondContact O-N 3.16Å; N674-V677 PolarHBondContact O-N 3.23Å; V677-N681 PolarHBondContact O-N 2.94Å; V677-N681 PolarHBondContact O-ND2 3.34Å; V677-L726 HydrophobicContact CB-CD2 4.18Å; V677-L726 HydrophobicContact CG1-CD2 4.03Å; V677-L729 HydrophobicContact CG1-CB 3.81Å
678	L	91.7	Very high	87.5	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.9	-52.9	176.2	-160.8	160.7	0	0	0	111.4	L668 L670 N674 E675 Q676 N680 N681 L682 F685 F692 I704 I722 L726	L668-L678 HydrophobicContact CD1-CD1 4.35Å; L670-L678 HydrophobicContact CD1-CD1 3.64Å; N674-L678 WeakPolarHBondContact O-CB 3.5Å; N674-L678 PolarHBondContact O-N 3.26Å; E675-L678 WeakPolarHBondContact O-CB 3.19Å; E675-L678 PolarHBondContact O-N 3.48Å; Q676-L678 VanDerWaalsContact C-N 3.26Å; Q676-L678 PolarHBondContact O-N 3.34Å; L678-N680 VanDerWaalsContact C-N 3.27Å; L678-N680 PolarHBondContact O-N 3.33Å; L678-N681 CarbonylContact O-C 3.5Å; L678-N681 PolarHBondContact O-N 3.19Å; L678-L682 HydrophobicContact CD2-CD2 3.67Å; L678-L682 PolarHBondContact O-N 3.38Å; L678-F685 HydrophobicContact CB-CE2 4.4Å; L678-F685 HydrophobicContact CD2-CD2 4.48Å; L678-F685 HydrophobicContact CG-CD2 4.25Å; L678-F685 HydrophobicContact CG-CE2 3.92Å; L678-F685 HydrophobicContact CG-CZ 4.2Å; L678-F692 HydrophobicContact CD1-CD1 4.48Å; L678-F692 HydrophobicContact CD1-CE1 4.03Å; L678-F692 HydrophobicContact CD1-CE2 4.27Å; L678-F692 HydrophobicContact CD1-CZ 3.92Å; L678-F692 HydrophobicContact CD2-CD1 4.47Å; L678-F692 HydrophobicContact CD2-CD2 3.59Å; L678-F692 HydrophobicContact CD2-CE2 3.6Å; L678-F692 HydrophobicContact CD2-CG 4.03Å; L678-F692 HydrophobicContact CD2-CZ 4.11Å; L678-F692 HydrophobicContact CG-CE2 4.16Å; L678-F692 HydrophobicContact CG-CZ 4.27Å; L678-I704 HydrophobicContact CB-CD1 3.97Å; L678-I704 HydrophobicContact CD1-CD1 3.94Å; L678-I704 HydrophobicContact CD1-CG2 4.17Å; L678-I704 HydrophobicContact CD2-CD1 3.84Å; L678-I704 HydrophobicContact CD2-CG2 4.39Å; L678-I704 HydrophobicContact CG-CD1 4.12Å; L678-I722 HydrophobicContact CD1-CG2 4.1Å; L678-L726 HydrophobicContact CB-CD2 3.78Å; L678-L726 HydrophobicContact CG-CD2 4.33Å
679	I	89.1	Confident	87.8	Confident	45 Å²	45	32.3 Å²	32.3	23%	0.231	18%	0.178	C	C	.	.	H	α-helix	trans	-58.4	-40	-178.9	-69.1	166	0	0	0	111.3	E675 Q676 N681 L682 I694 I704	E675-I679 HydrophobicContact CG-CD1 4.1Å; E675-I679 VanDerWaalsContact O-CG1 3.31Å; E675-I679 WeakPolarHBondContact O-CG1 3.22Å; E675-I679 PolarHBondContact O-N 3.24Å; Q676-I679 PolarHBondContact O-N 3.29Å; I679-N681 VanDerWaalsContact C-N 3.25Å; I679-N681 PolarHBondContact O-N 2.88Å; I679-L682 WeakPolarHBondContact O-CG 3.36Å; I679-I694 HydrophobicContact CG1-CD1 4.21Å; I679-I704 HydrophobicContact CD1-CD1 4.3Å; I679-I704 HydrophobicContact CG1-CD1 3.93Å
680	N	88.2	Confident	88.5	Confident	96 Å²	96	27.1 Å²	27.1	51%	0.513	15%	0.149	S	C	.	.	H	α-helix	trans	-73	-14	-179.5	-69.6	-20.8	0	0	0	114.1	Q676 L678	Q676-N680 WeakPolarHBondContact O-CB 3.3Å; Q676-N680 VanDerWaalsContact O-CG 3.22Å; Q676-N680 PolarHBondContact O-N 2.76Å; Q676-N680 PolarHBondContact O-ND2 3.43Å; L678-N680 VanDerWaalsContact C-N 3.27Å; L678-N680 PolarHBondContact O-N 3.33Å
681	N	91.5	Very high	89	Confident	23 Å²	23	28.4 Å²	28.4	12%	0.123	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	28.5	-173.7	-65.5	-84.1	0	0	0	112.9	V677 L678 I679 D683 V684 F685 L729	V677-N681 PolarHBondContact O-N 2.94Å; V677-N681 PolarHBondContact O-ND2 3.34Å; L678-N681 CarbonylContact O-C 3.5Å; L678-N681 PolarHBondContact O-N 3.19Å; I679-N681 VanDerWaalsContact C-N 3.25Å; I679-N681 PolarHBondContact O-N 2.88Å; N681-D683 PolarHBondContact O-N 3.05Å; N681-D683 VanDerWaalsContact O-N 3.1Å; N681-V684 HydrophobicContact CB-CB 4.33Å; N681-V684 HydrophobicContact CB-CG2 3.99Å; N681-V684 WeakPolarHBondContact O-CB 3.44Å; N681-V684 PolarHBondContact O-N 3.04Å; N681-F685 HydrophobicContact CB-CE2 4.35Å; N681-F685 VanDerWaalsContact O-CD2 3.26Å; N681-F685 WeakPolarHBondContact O-CD2 3.4Å; N681-F685 PolarHBondContact O-N 3.29Å; N681-L729 HydrophobicContact CB-CD1 3.82Å
682	L	93	Very high	89.8	Confident	65 Å²	65	27.7 Å²	27.7	34%	0.34	16%	0.155	S	C	.	.	H	α-helix	trans	-52.8	-33.7	-179.1	-71	168.5	0	0	0	113.2	L678 I679 V684 F685 A686 F692 I694	L678-L682 HydrophobicContact CD2-CD2 3.67Å; L678-L682 PolarHBondContact O-N 3.38Å; I679-L682 WeakPolarHBondContact O-CG 3.36Å; L682-V684 VanDerWaalsContact C-N 3.34Å; L682-V684 PolarHBondContact O-N 3.16Å; L682-F685 PolarHBondContact O-N 2.82Å; L682-A686 WeakPolarHBondContact O-CB 3.23Å; L682-A686 PolarHBondContact O-N 2.98Å; L682-F692 HydrophobicContact CD2-CB 4.48Å; L682-F692 HydrophobicContact CD2-CD2 3.8Å; L682-I694 HydrophobicContact CD1-CD1 4.07Å
683	D	91.5	Very high	90.5	Very high	74 Å²	74	33.1 Å²	33.1	40%	0.396	17%	0.174	S	C	.	.	H	α-helix	trans	-64.5	-35.3	176.7	67.5	-64.8	0	0	0	113.1	N681 R687	N681-D683 PolarHBondContact O-N 3.05Å; N681-D683 VanDerWaalsContact O-N 3.1Å; D683-R687 WeakPolarHBondContact O-CG 3.42Å; D683-R687 PolarHBondContact O-N 2.97Å; D683-R687 VanDerWaalsContact O-N 3.11Å; D683-R687 IonicContact OD2-NH2 3.89Å
684	V	92.5	Very high	91.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-69.4	-43.1	177.2	-172.7	0	0	0	0	109.8	N681 L682 R687 N688 M725 L729 K735 C737	N681-V684 HydrophobicContact CB-CB 4.33Å; N681-V684 HydrophobicContact CB-CG2 3.99Å; N681-V684 WeakPolarHBondContact O-CB 3.44Å; N681-V684 PolarHBondContact O-N 3.04Å; L682-V684 VanDerWaalsContact C-N 3.34Å; L682-V684 PolarHBondContact O-N 3.16Å; V684-R687 PolarHBondContact O-N 2.96Å; V684-N688 PolarHBondContact O-N 2.9Å; V684-N688 PolarHBondContact O-ND2 3.06Å; V684-M725 HydrophobicContact CG1-CE 3.89Å; V684-L729 HydrophobicContact CG1-CD1 4.41Å; V684-L729 HydrophobicContact CG1-CD2 4.38Å; V684-L729 HydrophobicContact CG2-CD2 4.41Å; V684-K735 HydrophobicContact CG2-CB 4.25Å; V684-K735 HydrophobicContact CG2-CG 4.34Å; V684-C737 HydrophobicContact CG1-CB 4.27Å
685	F	95	Very high	91.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.9	-41.3	176.3	-72.6	-79.7	0	0	0	112.4	L678 N681 L682 R687 N688 G689 F690 F692 I722 M725 L726 L729	L678-F685 HydrophobicContact CB-CE2 4.4Å; L678-F685 HydrophobicContact CD2-CD2 4.48Å; L678-F685 HydrophobicContact CG-CD2 4.25Å; L678-F685 HydrophobicContact CG-CE2 3.92Å; L678-F685 HydrophobicContact CG-CZ 4.2Å; N681-F685 HydrophobicContact CB-CE2 4.35Å; N681-F685 VanDerWaalsContact O-CD2 3.26Å; N681-F685 WeakPolarHBondContact O-CD2 3.4Å; N681-F685 PolarHBondContact O-N 3.29Å; L682-F685 PolarHBondContact O-N 2.82Å; F685-R687 PolarHBondContact O-N 3.23Å; F685-N688 CarbonylContact O-C 3.5Å; F685-N688 WeakPolarHBondContact O-CA 3.22Å; F685-N688 WeakPolarHBondContact O-CB 3.37Å; F685-N688 PolarHBondContact O-N 3.13Å; F685-G689 PolarHBondContact O-N 3.43Å; F685-F690 CarbonylContact C-O 3.56Å; F685-F690 HydrophobicContact CB-CB 4.13Å; F685-F690 HydrophobicContact CD1-CD2 4.32Å; F685-F690 PolarHBondContact O-N 3.17Å; F685-F692 HydrophobicContact CB-CD2 4.48Å; F685-F692 HydrophobicContact CB-CE2 3.53Å; F685-F692 HydrophobicContact CB-CZ 4.27Å; F685-F692 AromaticContact CD1-CE2 3.97Å; F685-F692 HydrophobicContact CD1-CE2 3.97Å; F685-F692 AromaticContact CD1-CZ 3.94Å; F685-F692 HydrophobicContact CD1-CZ 3.94Å; F685-F692 HydrophobicContact CD2-CE2 4.23Å; F685-F692 AromaticContact CG-CE2 3.65Å; F685-F692 HydrophobicContact CG-CE2 3.65Å; F685-F692 HydrophobicContact CG-CZ 4.11Å; F685-I722 HydrophobicContact CE1-CB 4.43Å; F685-I722 HydrophobicContact CE1-CG2 3.85Å; F685-I722 HydrophobicContact CZ-CG2 4.46Å; F685-M725 HydrophobicContact CD1-CE 3.71Å; F685-M725 HydrophobicContact CD1-SD 3.87Å; F685-M725 HydrophobicContact CE1-CB 3.7Å; F685-M725 HydrophobicContact CE1-CE 3.89Å; F685-M725 HydrophobicContact CE1-CG 4.42Å; F685-M725 HydrophobicContact CE1-SD 3.91Å; F685-M725 HydrophobicContact CG-CE 4.16Å; F685-M725 HydrophobicContact CZ-CB 4.03Å; F685-M725 HydrophobicContact CZ-CE 4.47Å; F685-L726 HydrophobicContact CE2-CD2 4.32Å; F685-L726 HydrophobicContact CZ-CD2 3.76Å; F685-L726 HydrophobicContact CZ-CG 3.98Å; F685-L729 HydrophobicContact CE2-CD1 3.82Å; F685-L729 HydrophobicContact CZ-CD1 4.02Å
686	A	92.8	Very high	91	Very high	49 Å²	49	42.6 Å²	42.6	41%	0.405	23%	0.229	S	C	.	.	H	α-helix	trans	-60	-42.1	175.9	0	0	0	0	0	112.3	L682 N688 G689 F690	L682-A686 WeakPolarHBondContact O-CB 3.23Å; L682-A686 PolarHBondContact O-N 2.98Å; A686-N688 PolarHBondContact O-N 3.31Å; A686-G689 PolarHBondContact O-N 3.46Å; A686-F690 WeakPolarHBondContact CA-O 3.38Å
687	R	91.2	Very high	91	Very high	44 Å²	44	48.5 Å²	48.5	17%	0.166	26%	0.262	C	S	.	.	H	α-helix	trans	-62.5	-24.2	173.5	-78.7	-174.1	-72.2	144.6	-0.9	113.7	R656 F657 D683 V684 F685 G689 K735 R738	R656-R687 HydrophobicContact CG-CG 4.3Å; F657-R687 PolarHBondContact N-O 2.82Å; D683-R687 WeakPolarHBondContact O-CG 3.42Å; D683-R687 PolarHBondContact O-N 2.97Å; D683-R687 VanDerWaalsContact O-N 3.11Å; D683-R687 IonicContact OD2-NH2 3.89Å; V684-R687 PolarHBondContact O-N 2.96Å; F685-R687 PolarHBondContact O-N 3.23Å; R687-G689 VanDerWaalsContact C-N 3.34Å; R687-K735 PolarHBondContact NH1-O 2.89Å; R687-K735 PolarHBondContact NH2-O 3.45Å; R687-R738 PolarHBondContact O-NH1 3.49Å
688	N	92.9	Very high	90.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	4.2	174.4	-75	-72.8	0	0	0	112.8	V684 F685 A686 F690 P710 M725 C737 R738 P739 L742	V684-N688 PolarHBondContact O-N 2.9Å; V684-N688 PolarHBondContact O-ND2 3.06Å; F685-N688 CarbonylContact O-C 3.5Å; F685-N688 WeakPolarHBondContact O-CA 3.22Å; F685-N688 WeakPolarHBondContact O-CB 3.37Å; F685-N688 PolarHBondContact O-N 3.13Å; A686-N688 PolarHBondContact O-N 3.31Å; N688-F690 HydrophobicContact CB-CD2 3.87Å; N688-F690 HydrophobicContact CB-CE2 4.07Å; N688-P710 WeakPolarHBondContact O-CB 3.3Å; N688-P710 WeakPolarHBondContact O-CG 3.06Å; N688-M725 HydrophobicContact CB-CE 4.1Å; N688-M725 HydrophobicContact CB-SD 4.07Å; N688-M725 WeakPolarHBondContact ND2-CE 3.37Å; N688-C737 PolarHBondContact ND2-O 2.92Å; N688-C737 VanDerWaalsContact ND2-O 3.08Å; N688-R738 WeakPolarHBondContact OD1-CD 3.24Å; N688-R738 PolarHBondContact OD1-NH1 3.27Å; N688-P739 WeakPolarHBondContact OD1-CD 3.18Å; N688-L742 HydrophobicContact CB-CD1 3.75Å; N688-L742 WeakPolarHBondContact O-CD1 3.4Å; N688-L742 VanDerWaalsContact OD1-CD1 3.31Å; N688-L742 WeakPolarHBondContact OD1-CD1 3.17Å
689	G	92.5	Very high	90	Very high	2 Å²	2	54.6 Å²	54.6	2%	0.021	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	11.3	176.7	0	0	0	0	0	114.5	S659 F685 A686 R687 A709 P710	S659-G689 WeakPolarHBondContact CB-O 3.43Å; F685-G689 PolarHBondContact O-N 3.43Å; A686-G689 PolarHBondContact O-N 3.46Å; R687-G689 VanDerWaalsContact C-N 3.34Å; G689-A709 CarbonylContact O-C 3.58Å; G689-A709 VanDerWaalsContact O-C 3.27Å; G689-A709 WeakPolarHBondContact O-CA 3.33Å; G689-P710 WeakPolarHBondContact O-CD 3.21Å
690	F	95	Very high	89.3	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.018	29%	0.294	C	S	.	.			trans	-92.3	138.9	173.8	-62.1	-78.7	0	0	0	110.9	F685 A686 N688 F692 L706 A708 A709 P710 F717 D721 I722 M725	F685-F690 CarbonylContact C-O 3.56Å; F685-F690 HydrophobicContact CB-CB 4.13Å; F685-F690 HydrophobicContact CD1-CD2 4.32Å; F685-F690 PolarHBondContact O-N 3.17Å; A686-F690 WeakPolarHBondContact CA-O 3.38Å; N688-F690 HydrophobicContact CB-CD2 3.87Å; N688-F690 HydrophobicContact CB-CE2 4.07Å; F690-F692 HydrophobicContact CB-CE2 4.12Å; F690-F692 HydrophobicContact CB-CZ 3.94Å; F690-L706 HydrophobicContact CD1-CD1 4.04Å; F690-A708 CarbonylContact C-O 3.48Å; F690-A708 WeakPolarHBondContact CA-O 3.03Å; F690-A709 HydrophobicContact CD1-CB 4.16Å; F690-A709 HydrophobicContact CE1-CB 4.19Å; F690-P710 HydrophobicContact CE1-CG 4.26Å; F690-P710 HydrophobicContact CE2-CG 4.21Å; F690-P710 HydrophobicContact CZ-CG 3.99Å; F690-F717 HydrophobicContact CE1-CB 3.95Å; F690-F717 HydrophobicContact CZ-CB 3.85Å; F690-D721 HydrophobicContact CZ-CB 3.92Å; F690-I722 HydrophobicContact CD1-CD1 3.98Å; F690-I722 HydrophobicContact CD1-CG1 3.92Å; F690-I722 HydrophobicContact CE1-CD1 4.11Å; F690-I722 HydrophobicContact CE1-CG1 3.81Å; F690-I722 HydrophobicContact CG-CG1 4.35Å; F690-I722 HydrophobicContact CZ-CG1 4.17Å; F690-M725 HydrophobicContact CD2-SD 4.21Å; F690-M725 HydrophobicContact CE2-SD 3.94Å
691	A	93.9	Very high	88.6	Confident	40 Å²	40	49.3 Å²	49.3	33%	0.331	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	141.7	172.7	0	0	0	0	0	110.8	V707 A708	A691-V707 PolarHBondContact O-N 2.72Å; A691-A708 HydrophobicContact CB-CB 3.78Å; A691-A708 PolarHBondContact N-O 3.29Å; A691-A708 PolarHBondContact O-N 2.8Å
692	F	95.5	Very high	88.1	Confident	34 Å²	34	52 Å²	52	15%	0.149	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	151.5	-174.9	-54.3	-76.9	0	0	0	112	L668 L678 L682 F685 F690 I704 S705 L706 I722	L668-F692 HydrophobicContact CD1-CD1 4.11Å; L668-F692 HydrophobicContact CD1-CE1 3.75Å; L678-F692 HydrophobicContact CD1-CD1 4.48Å; L678-F692 HydrophobicContact CD1-CE1 4.03Å; L678-F692 HydrophobicContact CD1-CE2 4.27Å; L678-F692 HydrophobicContact CD1-CZ 3.92Å; L678-F692 HydrophobicContact CD2-CD1 4.47Å; L678-F692 HydrophobicContact CD2-CD2 3.59Å; L678-F692 HydrophobicContact CD2-CE2 3.6Å; L678-F692 HydrophobicContact CD2-CG 4.03Å; L678-F692 HydrophobicContact CD2-CZ 4.11Å; L678-F692 HydrophobicContact CG-CE2 4.16Å; L678-F692 HydrophobicContact CG-CZ 4.27Å; L682-F692 HydrophobicContact CD2-CB 4.48Å; L682-F692 HydrophobicContact CD2-CD2 3.8Å; F685-F692 HydrophobicContact CB-CD2 4.48Å; F685-F692 HydrophobicContact CB-CE2 3.53Å; F685-F692 HydrophobicContact CB-CZ 4.27Å; F685-F692 AromaticContact CD1-CE2 3.97Å; F685-F692 HydrophobicContact CD1-CE2 3.97Å; F685-F692 AromaticContact CD1-CZ 3.94Å; F685-F692 HydrophobicContact CD1-CZ 3.94Å; F685-F692 HydrophobicContact CD2-CE2 4.23Å; F685-F692 AromaticContact CG-CE2 3.65Å; F685-F692 HydrophobicContact CG-CE2 3.65Å; F685-F692 HydrophobicContact CG-CZ 4.11Å; F690-F692 HydrophobicContact CB-CE2 4.12Å; F690-F692 HydrophobicContact CB-CZ 3.94Å; F692-I704 HydrophobicContact CB-CG2 3.93Å; F692-I704 HydrophobicContact CD1-CG2 3.64Å; F692-I704 HydrophobicContact CE1-CG2 4.44Å; F692-I704 HydrophobicContact CG-CG2 3.97Å; F692-S705 CarbonylContact C-O 3.57Å; F692-S705 VanDerWaalsContact CA-O 3.27Å; F692-S705 WeakPolarHBondContact CA-O 3.03Å; F692-L706 HydrophobicContact CD1-CB 4.43Å; F692-L706 HydrophobicContact CD1-CD1 4.02Å; F692-L706 HydrophobicContact CE1-CB 4.49Å; F692-L706 HydrophobicContact CE1-CD1 3.65Å; F692-L706 HydrophobicContact CZ-CD1 4.41Å; F692-I722 HydrophobicContact CE1-CD1 3.85Å; F692-I722 HydrophobicContact CZ-CD1 4.07Å; F692-I722 HydrophobicContact CZ-CG1 4.35Å; F692-I722 HydrophobicContact CZ-CG2 4.45Å
693	R	93	Very high	87.8	Confident	129 Å²	129	50.5 Å²	50.5	49%	0.487	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129	165.3	-176.4	177.4	-65.4	162	-0.1	108.4	S705 V707	R693-S705 PolarHBondContact N-O 3.01Å; R693-S705 PolarHBondContact O-N 2.9Å; R693-V707 HydrophobicContact CB-CG2 3.64Å
694	I	92.2	Very high	87.7	Confident	70 Å²	70	47 Å²	47	36%	0.359	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.9	179.1	-57.9	172	0	0	0	108.2	I679 L682 Q703	I679-I694 HydrophobicContact CG1-CD1 4.21Å; L682-I694 HydrophobicContact CD1-CD1 4.07Å; I694-Q703 CarbonylContact C-O 3.56Å; I694-Q703 WeakPolarHBondContact CA-O 3.35Å
695	H	87.7	Confident	87.7	Confident	64 Å²	64	47.5 Å²	47.5	30%	0.296	26%	0.26	S	S	.	.			trans	-108.9	98.9	178.2	-60.9	-79.9	0	0	0	108.7	D697 E698 Q703 S705	H695-D697 PolarHBondContact O-N 3.24Å; H695-E698 HydrophobicContact CB-CB 4.22Å; H695-E698 HydrophobicContact CB-CG 3.67Å; H695-E698 PolarHBondContact O-N 2.79Å; H695-Q703 PolarHBondContact N-O 3.18Å; H695-Q703 WeakPolarHBondContact O-CB 3.38Å; H695-S705 PolarHBondContact CD2-OG 3.15Å; H695-S705 PolarHBondContact NE2-OG 3.34Å
696	S	82.8	Confident	87.6	Confident	99 Å²	99	47.6 Å²	47.6	69%	0.692	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.9	-178.6	-59.7	0	0	0	0	114
697	D	82.6	Confident	87.6	Confident	164 Å²	164	46.9 Å²	46.9	88%	0.877	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-11.7	-179.3	-54.1	-40.9	0	0	0	113	H695	H695-D697 PolarHBondContact O-N 3.24Å
698	E	81.5	Confident	87.7	Confident	74 Å²	74	45.1 Å²	45.1	35%	0.346	25%	0.246	S	C	.	.	S	Bend	trans	-85.9	153.4	-179.1	-69.8	-69.9	131.5	0	0	111.7	K667 H695 Q703	K667-E698 IonicContact NZ-OE2 2.74Å; K667-E698 PolarHBondContact NZ-OE2 3.4Å; H695-E698 HydrophobicContact CB-CB 4.22Å; H695-E698 HydrophobicContact CB-CG 3.67Å; H695-E698 PolarHBondContact O-N 2.79Å; E698-Q703 HydrophobicContact CB-CG 4.2Å; E698-Q703 WeakPolarHBondContact O-CG 3.46Å; E698-Q703 PolarHBondContact O-NE2 2.88Å
699	P	75.5	Confident	87.6	Confident	71 Å²	71	45.1 Å²	45.1	46%	0.461	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-62.4	150.3	175.3	26.3	-33.3	0	0	0	111.5	G701 Q702 Q703	P699-G701 PolarHBondContact O-N 3.47Å; P699-Q702 HydrophobicContact CG-CB 4.26Å; P699-Q702 PolarHBondContact O-N 3.04Å; P699-Q702 VanDerWaalsContact O-N 3.07Å; P699-Q703 WeakPolarHBondContact O-CG 3.49Å
700	A	73.6	Confident	87.5	Confident	23 Å²	23	45.1 Å²	45.1	19%	0.19	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	137.4	178.7	0	0	0	0	0	111.5	I210 I672	I210-A700 HydrophobicContact CG2-CB 3.67Å; I672-A700 HydrophobicContact CD1-CB 4.01Å; I672-A700 HydrophobicContact CG1-CB 3.9Å
701	G	75.4	Confident	86.9	Confident	6 Å²	6	49.6 Å²	49.6	6%	0.062	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	-9.1	-170.6	0	0	0	0	0	114.5	L670 E675 P699	L670-G701 PolarHBondContact N-O 3.38Å; L670-G701 VanDerWaalsContact O-CA 3.24Å; L670-G701 WeakPolarHBondContact O-CA 3.37Å; L670-G701 VanDerWaalsContact O-O 3.12Å; E675-G701 PolarHBondContact OE1-N 3.48Å; E675-G701 WeakPolarHBondContact OE2-CA 3.33Å; E675-G701 PolarHBondContact OE2-N 3.26Å; P699-G701 PolarHBondContact O-N 3.47Å
702	Q	81	Confident	85.9	Confident	79 Å²	79	50.3 Å²	50.3	37%	0.369	27%	0.266	S	S	.	.	S	Bend	trans	-128.7	10.5	-178.5	-71.2	-169	31.5	0	0	113.5	K667 E675 P699 I704	K667-Q702 WeakPolarHBondContact CE-O 3.38Å; E675-Q702 PolarHBondContact OE2-N 3.45Å; P699-Q702 HydrophobicContact CG-CB 4.26Å; P699-Q702 PolarHBondContact O-N 3.04Å; P699-Q702 VanDerWaalsContact O-N 3.07Å; Q702-I704 VanDerWaalsContact C-N 3.27Å; Q702-I704 PolarHBondContact O-N 3.37Å
703	Q	84.6	Confident	84.5	Confident	35 Å²	35	57 Å²	57	16%	0.164	30%	0.297	C	S	.	.			trans	-78.2	-11.8	-173.4	-59.3	-171.5	-19.1	0	0	113.2	E675 I694 H695 E698 P699	E675-Q703 WeakPolarHBondContact OE2-CB 3.24Å; E675-Q703 PolarHBondContact OE2-N 3.05Å; I694-Q703 CarbonylContact C-O 3.56Å; I694-Q703 WeakPolarHBondContact CA-O 3.35Å; H695-Q703 PolarHBondContact N-O 3.18Å; H695-Q703 WeakPolarHBondContact O-CB 3.38Å; E698-Q703 HydrophobicContact CB-CG 4.2Å; E698-Q703 WeakPolarHBondContact O-CG 3.46Å; E698-Q703 PolarHBondContact O-NE2 2.88Å; P699-Q703 WeakPolarHBondContact O-CG 3.49Å
704	I	90.3	Very high	83.1	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125	-167.5	-55.8	-176.6	0	0	0	111.2	L668 L670 E675 L678 I679 F692 Q702	L668-I704 WeakPolarHBondContact CB-O 3.45Å; L668-I704 HydrophobicContact CD1-CG2 4.05Å; L668-I704 PolarHBondContact N-O 3.41Å; L670-I704 HydrophobicContact CD1-CB 4.49Å; L670-I704 HydrophobicContact CD1-CD1 4.05Å; E675-I704 HydrophobicContact CB-CD1 4.41Å; E675-I704 HydrophobicContact CG-CD1 3.56Å; E675-I704 HydrophobicContact CG-CG1 3.92Å; L678-I704 HydrophobicContact CB-CD1 3.97Å; L678-I704 HydrophobicContact CD1-CD1 3.94Å; L678-I704 HydrophobicContact CD1-CG2 4.17Å; L678-I704 HydrophobicContact CD2-CD1 3.84Å; L678-I704 HydrophobicContact CD2-CG2 4.39Å; L678-I704 HydrophobicContact CG-CD1 4.12Å; I679-I704 HydrophobicContact CD1-CD1 4.3Å; I679-I704 HydrophobicContact CG1-CD1 3.93Å; F692-I704 HydrophobicContact CB-CG2 3.93Å; F692-I704 HydrophobicContact CD1-CG2 3.64Å; F692-I704 HydrophobicContact CE1-CG2 4.44Å; F692-I704 HydrophobicContact CG-CG2 3.97Å; Q702-I704 VanDerWaalsContact C-N 3.27Å; Q702-I704 PolarHBondContact O-N 3.37Å
705	S	91.9	Very high	82	Confident	10 Å²	10	62.2 Å²	62.2	7%	0.07	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.2	170.9	-63	0	0	0	0	110.3	Q666 F692 R693 H695	Q666-S705 CarbonylContact O-C 3.53Å; Q666-S705 WeakPolarHBondContact O-CA 3.33Å; F692-S705 CarbonylContact C-O 3.57Å; F692-S705 VanDerWaalsContact CA-O 3.27Å; F692-S705 WeakPolarHBondContact CA-O 3.03Å; R693-S705 PolarHBondContact N-O 3.01Å; R693-S705 PolarHBondContact O-N 2.9Å; H695-S705 PolarHBondContact CD2-OG 3.15Å; H695-S705 PolarHBondContact NE2-OG 3.34Å
706	L	93.6	Very high	81.1	Confident	2 Å²	2	64 Å²	64	1%	0.01	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	122.2	171.4	179.6	67.4	0	0	0	109.8	L662 P665 Q666 L668 F690 F692 A708 A709 I722	L662-L706 HydrophobicContact CD1-CD2 3.96Å; L662-L706 HydrophobicContact CD1-CG 3.86Å; P665-L706 CarbonylContact C-O 3.51Å; P665-L706 VanDerWaalsContact CA-O 3.24Å; P665-L706 WeakPolarHBondContact CA-O 3.22Å; Q666-L706 HydrophobicContact CB-CB 4.3Å; Q666-L706 PolarHBondContact N-O 2.86Å; Q666-L706 PolarHBondContact O-N 3.35Å; L668-L706 HydrophobicContact CD1-CB 4.43Å; L668-L706 HydrophobicContact CD2-CB 4.04Å; L668-L706 HydrophobicContact CG-CB 4.32Å; F690-L706 HydrophobicContact CD1-CD1 4.04Å; F692-L706 HydrophobicContact CD1-CB 4.43Å; F692-L706 HydrophobicContact CD1-CD1 4.02Å; F692-L706 HydrophobicContact CE1-CB 4.49Å; F692-L706 HydrophobicContact CE1-CD1 3.65Å; F692-L706 HydrophobicContact CZ-CD1 4.41Å; L706-A708 WeakPolarHBondContact CD1-O 3.43Å; L706-A709 HydrophobicContact CD2-CB 4.45Å; L706-I722 HydrophobicContact CD1-CD1 3.99Å; L706-I722 HydrophobicContact CD2-CD1 4.13Å
707	V	93.1	Very high	81	Confident	35 Å²	35	59.8 Å²	59.8	21%	0.212	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-30.5	-178.5	-178.3	0	0	0	0	111.9	L662 P665 A691 R693	L662-V707 WeakPolarHBondContact CB-O 3.37Å; L662-V707 PolarHBondContact N-O 3.35Å; P665-V707 HydrophobicContact CB-CG2 4.37Å; A691-V707 PolarHBondContact O-N 2.72Å; R693-V707 HydrophobicContact CB-CG2 3.64Å
708	A	92.6	Very high	80.8	Confident	6 Å²	6	54.3 Å²	54.3	5%	0.05	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	147.7	175.5	0	0	0	0	0	110.8	Q660 F690 A691 L706	Q660-A708 VanDerWaalsContact O-CA 3.3Å; Q660-A708 WeakPolarHBondContact O-CA 3.41Å; Q660-A708 WeakPolarHBondContact O-CB 3.45Å; F690-A708 CarbonylContact C-O 3.48Å; F690-A708 WeakPolarHBondContact CA-O 3.03Å; A691-A708 HydrophobicContact CB-CB 3.78Å; A691-A708 PolarHBondContact N-O 3.29Å; A691-A708 PolarHBondContact O-N 2.8Å; L706-A708 WeakPolarHBondContact CD1-O 3.43Å
709	A	91.7	Very high	80.8	Confident	1 Å²	1	53 Å²	53	1%	0.008	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	153.2	176.5	0	0	0	0	0	109.5	Q660 G689 F690 L706	Q660-A709 PolarHBondContact N-O 3.43Å; Q660-A709 PolarHBondContact O-N 2.66Å; G689-A709 CarbonylContact O-C 3.58Å; G689-A709 VanDerWaalsContact O-C 3.27Å; G689-A709 WeakPolarHBondContact O-CA 3.33Å; F690-A709 HydrophobicContact CD1-CB 4.16Å; F690-A709 HydrophobicContact CE1-CB 4.19Å; L706-A709 HydrophobicContact CD2-CB 4.45Å
710	P	90.4	Very high	81.1	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.013	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	150.2	174.7	28.2	-34.3	0	0	0	110.8	F657 K658 N688 G689 F690 F717 L742	F657-P710 HydrophobicContact CB-CB 4.2Å; K658-P710 WeakPolarHBondContact O-CA 3.31Å; N688-P710 WeakPolarHBondContact O-CB 3.3Å; N688-P710 WeakPolarHBondContact O-CG 3.06Å; G689-P710 WeakPolarHBondContact O-CD 3.21Å; F690-P710 HydrophobicContact CE1-CG 4.26Å; F690-P710 HydrophobicContact CE2-CG 4.21Å; F690-P710 HydrophobicContact CZ-CG 3.99Å; P710-F717 HydrophobicContact CB-CD2 4.1Å; P710-F717 HydrophobicContact CB-CG 4.46Å; P710-F717 HydrophobicContact CG-CB 3.61Å; P710-F717 HydrophobicContact CG-CD1 4.14Å; P710-F717 HydrophobicContact CG-CD2 3.65Å; P710-F717 HydrophobicContact CG-CE2 4.35Å; P710-F717 HydrophobicContact CG-CG 3.52Å; P710-F717 VanDerWaalsContact O-CD2 3.27Å; P710-F717 WeakPolarHBondContact O-CD2 3.43Å; P710-L742 HydrophobicContact CB-CD2 4.48Å; P710-L742 HydrophobicContact CG-CD1 4.36Å; P710-L742 HydrophobicContact CG-CD2 4.41Å
711	M	81.4	Confident	81.7	Confident	97 Å²	97	53.6 Å²	53.6	48%	0.478	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	130.3	178.7	-174.5	178.1	71.2	0	0	110.1	Q660 L716	Q660-M711 HydrophobicContact CB-CB 3.73Å; Q660-M711 HydrophobicContact CB-SD 4.27Å; Q660-M711 HydrophobicContact CG-CB 4.4Å; Q660-M711 HydrophobicContact CG-CE 4.4Å; Q660-M711 HydrophobicContact CG-SD 3.92Å; M711-L716 HydrophobicContact CG-CD2 4.38Å
712	L	73.7	Confident	82.4	Confident	55 Å²	55	53.3 Å²	53.3	29%	0.288	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	129	173.2	-175.8	73.1	0	0	0	110.6	N714 K715 I745	L712-N714 VanDerWaalsContact C-N 3.28Å; L712-N714 PolarHBondContact O-N 3.04Å; L712-N714 VanDerWaalsContact O-N 3.09Å; L712-K715 PolarHBondContact N-O 2.93Å; L712-K715 WeakPolarHBondContact O-CA 3.39Å; L712-K715 WeakPolarHBondContact O-CB 3.36Å; L712-K715 PolarHBondContact O-N 3.45Å; L712-I745 HydrophobicContact CD2-CB 4.45Å; L712-I745 HydrophobicContact CD2-CD1 3.28Å; L712-I745 HydrophobicContact CD2-CG1 3.54Å; L712-I745 HydrophobicContact CD2-CG2 4.03Å; L712-I745 HydrophobicContact CG-CD1 4.5Å
713	E	66.3	Low	82.7	Confident	174 Å²	174	50.3 Å²	50.3	81%	0.813	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	39.3	52.7	171.3	-65.8	178.7	-172.3	0	0	113.5	K715	E713-K715 PolarHBondContact O-N 3.22Å; E713-K715 VanDerWaalsContact O-N 3.15Å
714	N	63.3	Low	82.8	Confident	165 Å²	165	51.1 Å²	51.1	88%	0.882	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	5.3	-177.6	-61.8	-16.2	0	0	0	117.2	L712	L712-N714 VanDerWaalsContact C-N 3.28Å; L712-N714 PolarHBondContact O-N 3.04Å; L712-N714 VanDerWaalsContact O-N 3.09Å
715	K	68.2	Low	82.8	Confident	145 Å²	145	51.1 Å²	51.1	63%	0.63	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	112.3	170.5	-67.5	178.9	-176.5	169.9	0	110.1	L712 E713	L712-K715 PolarHBondContact N-O 2.93Å; L712-K715 WeakPolarHBondContact O-CA 3.39Å; L712-K715 WeakPolarHBondContact O-CB 3.36Å; L712-K715 PolarHBondContact O-N 3.45Å; E713-K715 PolarHBondContact O-N 3.22Å; E713-K715 VanDerWaalsContact O-N 3.15Å
716	L	69.1	Low	82.7	Confident	101 Å²	101	50.6 Å²	50.6	53%	0.529	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	139	168.6	-73.3	168.1	0	0	0	110.4	M711 R741	M711-L716 HydrophobicContact CG-CD2 4.38Å; L716-R741 PolarHBondContact O-NH1 3.47Å; L716-R741 PolarHBondContact O-NH2 3.07Å
717	F	81.2	Confident	82.1	Confident	11 Å²	11	54.5 Å²	54.5	5%	0.048	27%	0.265	C	S	.	.			trans	-83.4	141.8	168.5	-70.8	-106.3	0	0	0	109.1	F690 P710 D721 R741 L742 I745	F690-F717 HydrophobicContact CE1-CB 3.95Å; F690-F717 HydrophobicContact CZ-CB 3.85Å; P710-F717 HydrophobicContact CB-CD2 4.1Å; P710-F717 HydrophobicContact CB-CG 4.46Å; P710-F717 HydrophobicContact CG-CB 3.61Å; P710-F717 HydrophobicContact CG-CD1 4.14Å; P710-F717 HydrophobicContact CG-CD2 3.65Å; P710-F717 HydrophobicContact CG-CE2 4.35Å; P710-F717 HydrophobicContact CG-CG 3.52Å; P710-F717 VanDerWaalsContact O-CD2 3.27Å; P710-F717 WeakPolarHBondContact O-CD2 3.43Å; F717-D721 HydrophobicContact CD1-CB 4.23Å; F717-R741 HydrophobicContact CE1-CB 3.57Å; F717-R741 HydrophobicContact CZ-CB 4.09Å; F717-L742 HydrophobicContact CD1-CD2 4.13Å; F717-L742 HydrophobicContact CD1-CG 4.08Å; F717-L742 HydrophobicContact CE1-CB 4.45Å; F717-L742 HydrophobicContact CE1-CD1 4.4Å; F717-L742 HydrophobicContact CE1-CD2 3.35Å; F717-L742 HydrophobicContact CE1-CG 3.42Å; F717-L742 VanDerWaalsContact CE1-CG 3.42Å; F717-L742 HydrophobicContact CE2-CD2 3.81Å; F717-L742 HydrophobicContact CZ-CD2 3.16Å; F717-L742 HydrophobicContact CZ-CG 3.81Å; F717-I745 HydrophobicContact CZ-CD1 3.88Å
718	S	78	Confident	81.6	Confident	48 Å²	48	54.9 Å²	54.9	34%	0.336	27%	0.267	S	S	.	.			trans	-122.9	176.7	-165.2	69.3	0	0	0	0	110.6	R720 D721	S718-R720 PolarHBondContact O-N 2.79Å; S718-R720 VanDerWaalsContact O-N 3.08Å; S718-R720 WeakPolarHBondContact OG-CB 3.47Å; S718-R720 PolarHBondContact OG-N 3.14Å; S718-D721 PolarHBondContact N-OD2 3.03Å; S718-D721 PolarHBondContact O-N 3.32Å; S718-D721 VanDerWaalsContact O-N 3.08Å; S718-D721 VanDerWaalsContact O-OD2 3.1Å; S718-D721 PolarHBondContact OG-OD2 3.39Å
719	Y	82.6	Confident	81.3	Confident	47 Å²	47	54.8 Å²	54.8	18%	0.184	27%	0.266	C	S	.	.	H	α-helix	trans	-49.6	-32.2	170.9	176.4	-110.1	0	0	0	113.6	L668 N669 L670 D721 I722 E723	L668-Y719 HydrophobicContact CB-CE2 4.38Å; L668-Y719 HydrophobicContact CD2-CD2 3.74Å; L668-Y719 HydrophobicContact CD2-CE2 4.4Å; L668-Y719 HydrophobicContact CG-CD2 4.48Å; N669-Y719 PolarHBondContact O-OH 2.64Å; L670-Y719 HydrophobicContact CD2-CE2 3.62Å; L670-Y719 HydrophobicContact CG-CE2 4.43Å; Y719-D721 VanDerWaalsContact C-N 3.32Å; Y719-D721 PolarHBondContact O-N 3.38Å; Y719-I722 WeakPolarHBondContact O-CB 3.41Å; Y719-I722 PolarHBondContact O-N 3.38Å; Y719-I722 VanDerWaalsContact O-N 3.15Å; Y719-E723 HydrophobicContact CD1-CG 4.1Å; Y719-E723 HydrophobicContact CE1-CG 3.54Å; Y719-E723 WeakPolarHBondContact CE1-OE1 3.42Å; Y719-E723 HydrophobicContact CE2-CG 4.11Å; Y719-E723 PolarHBondContact O-N 3.5Å; Y719-E723 PolarHBondContact OH-OE1 2.97Å
720	R	80.5	Confident	80.8	Confident	102 Å²	102	55.8 Å²	55.8	39%	0.385	27%	0.273	S	S	.	.	H	α-helix	trans	-60	-38.2	178.4	-170.7	-179	-172.3	177.2	7.1	113.9	S353 T357 S718 I722 E723 E724	S353-R720 VanDerWaalsContact CB-CZ 3.43Å; S353-R720 PolarHBondContact O-NH2 3.28Å; S353-R720 VanDerWaalsContact O-NH2 3.17Å; S353-R720 PolarHBondContact OG-NH1 2.81Å; S353-R720 PolarHBondContact OG-NH2 3.3Å; T357-R720 VanDerWaalsContact CG2-NH2 3.28Å; S718-R720 PolarHBondContact O-N 2.79Å; S718-R720 VanDerWaalsContact O-N 3.08Å; S718-R720 WeakPolarHBondContact OG-CB 3.47Å; S718-R720 PolarHBondContact OG-N 3.14Å; R720-I722 VanDerWaalsContact C-N 3.3Å; R720-E723 PolarHBondContact O-N 3.17Å; R720-E724 PolarHBondContact O-N 2.92Å
721	D	86.9	Confident	80.1	Confident	4 Å²	4	62.1 Å²	62.1	2%	0.021	30%	0.302	C	S	.	.	H	α-helix	trans	-73.1	-31.7	-179.8	-48	-89.7	0	0	0	110.6	F690 F717 S718 Y719 E724 M725 P739 R741	F690-D721 HydrophobicContact CZ-CB 3.92Å; F717-D721 HydrophobicContact CD1-CB 4.23Å; S718-D721 PolarHBondContact N-OD2 3.03Å; S718-D721 PolarHBondContact O-N 3.32Å; S718-D721 VanDerWaalsContact O-N 3.08Å; S718-D721 VanDerWaalsContact O-OD2 3.1Å; S718-D721 PolarHBondContact OG-OD2 3.39Å; Y719-D721 VanDerWaalsContact C-N 3.32Å; Y719-D721 PolarHBondContact O-N 3.38Å; D721-E724 PolarHBondContact O-N 2.9Å; D721-M725 WeakPolarHBondContact O-CG 3.24Å; D721-M725 PolarHBondContact O-N 2.87Å; D721-M725 VanDerWaalsContact O-N 3.11Å; D721-P739 HydrophobicContact CB-CB 3.94Å; D721-P739 HydrophobicContact CB-CG 4.27Å; D721-R741 IonicContact OD1-CZ 2.75Å; D721-R741 VanDerWaalsContact OD1-CZ 3.22Å; D721-R741 IonicContact OD1-NE 3.89Å; D721-R741 PolarHBondContact OD1-NE 2.65Å; D721-R741 IonicContact OD1-NH2 3.73Å; D721-R741 PolarHBondContact OD1-NH2 2.78Å; D721-R741 IonicContact OD2-CZ 3.19Å; D721-R741 IonicContact OD2-NE 2.82Å; D721-R741 IonicContact OD2-NH2 3.61Å; D721-R741 PolarHBondContact OD2-NH2 3.48Å
722	I	90.3	Very high	79.9	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.3	-45.6	171.8	-62.5	165.1	0	0	0	109.3	L668 L678 F685 F690 F692 L706 Y719 R720 E724 M725 L726	L668-I722 HydrophobicContact CD1-CD1 4.17Å; L678-I722 HydrophobicContact CD1-CG2 4.1Å; F685-I722 HydrophobicContact CE1-CB 4.43Å; F685-I722 HydrophobicContact CE1-CG2 3.85Å; F685-I722 HydrophobicContact CZ-CG2 4.46Å; F690-I722 HydrophobicContact CD1-CD1 3.98Å; F690-I722 HydrophobicContact CD1-CG1 3.92Å; F690-I722 HydrophobicContact CE1-CD1 4.11Å; F690-I722 HydrophobicContact CE1-CG1 3.81Å; F690-I722 HydrophobicContact CG-CG1 4.35Å; F690-I722 HydrophobicContact CZ-CG1 4.17Å; F692-I722 HydrophobicContact CE1-CD1 3.85Å; F692-I722 HydrophobicContact CZ-CD1 4.07Å; F692-I722 HydrophobicContact CZ-CG1 4.35Å; F692-I722 HydrophobicContact CZ-CG2 4.45Å; L706-I722 HydrophobicContact CD1-CD1 3.99Å; L706-I722 HydrophobicContact CD2-CD1 4.13Å; Y719-I722 WeakPolarHBondContact O-CB 3.41Å; Y719-I722 PolarHBondContact O-N 3.38Å; Y719-I722 VanDerWaalsContact O-N 3.15Å; R720-I722 VanDerWaalsContact C-N 3.3Å; I722-E724 VanDerWaalsContact C-N 3.34Å; I722-E724 PolarHBondContact O-N 3.07Å; I722-M725 PolarHBondContact O-N 2.9Å; I722-L726 HydrophobicContact CG2-CD1 3.8Å; I722-L726 HydrophobicContact CG2-CG 4.23Å; I722-L726 WeakPolarHBondContact O-CB 3.39Å; I722-L726 WeakPolarHBondContact O-CG 3.45Å; I722-L726 PolarHBondContact O-N 3.22Å
723	E	87.4	Confident	79.8	Confident	17 Å²	17	62.1 Å²	62.1	8%	0.079	31%	0.312	C	S	.	.	H	α-helix	trans	-60.4	-39.4	176	-72.5	-171.3	139.1	0	0	113.5	S305 Y719 R720 L726 F727	S305-E723 PolarHBondContact OG-O 3.27Å; Y719-E723 HydrophobicContact CD1-CG 4.1Å; Y719-E723 HydrophobicContact CE1-CG 3.54Å; Y719-E723 WeakPolarHBondContact CE1-OE1 3.42Å; Y719-E723 HydrophobicContact CE2-CG 4.11Å; Y719-E723 PolarHBondContact O-N 3.5Å; Y719-E723 PolarHBondContact OH-OE1 2.97Å; R720-E723 PolarHBondContact O-N 3.17Å; E723-L726 PolarHBondContact O-N 3.26Å; E723-F727 PolarHBondContact O-N 2.6Å; E723-F727 VanDerWaalsContact O-N 3.07Å
724	E	86.7	Confident	80.3	Confident	51 Å²	51	57.4 Å²	57.4	24%	0.238	29%	0.293	C	S	.	.	H	α-helix	trans	-62.7	-45.8	175.1	-172	-173.4	171.4	0	0	111.2	R720 D721 I722 F727 V728 S740	R720-E724 PolarHBondContact O-N 2.92Å; D721-E724 PolarHBondContact O-N 2.9Å; I722-E724 VanDerWaalsContact C-N 3.34Å; I722-E724 PolarHBondContact O-N 3.07Å; E724-F727 PolarHBondContact O-N 3.42Å; E724-V728 WeakPolarHBondContact O-CG2 3.27Å; E724-V728 PolarHBondContact O-N 2.99Å; E724-V728 VanDerWaalsContact O-N 3.12Å; E724-S740 VanDerWaalsContact OE1-CB 3.26Å; E724-S740 WeakPolarHBondContact OE1-CB 3.41Å; E724-S740 PolarHBondContact OE1-N 3.25Å; E724-S740 PolarHBondContact OE1-OG 3.24Å; E724-S740 PolarHBondContact OE2-N 3.32Å
725	M	90.1	Very high	81.1	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.7	-42.8	176.9	-71.5	-178.3	66.2	0	0	112.2	V684 F685 N688 F690 D721 I722 F727 V728 L729 P739	V684-M725 HydrophobicContact CG1-CE 3.89Å; F685-M725 HydrophobicContact CD1-CE 3.71Å; F685-M725 HydrophobicContact CD1-SD 3.87Å; F685-M725 HydrophobicContact CE1-CB 3.7Å; F685-M725 HydrophobicContact CE1-CE 3.89Å; F685-M725 HydrophobicContact CE1-CG 4.42Å; F685-M725 HydrophobicContact CE1-SD 3.91Å; F685-M725 HydrophobicContact CG-CE 4.16Å; F685-M725 HydrophobicContact CZ-CB 4.03Å; F685-M725 HydrophobicContact CZ-CE 4.47Å; N688-M725 HydrophobicContact CB-CE 4.1Å; N688-M725 HydrophobicContact CB-SD 4.07Å; N688-M725 WeakPolarHBondContact ND2-CE 3.37Å; F690-M725 HydrophobicContact CD2-SD 4.21Å; F690-M725 HydrophobicContact CE2-SD 3.94Å; D721-M725 WeakPolarHBondContact O-CG 3.24Å; D721-M725 PolarHBondContact O-N 2.87Å; D721-M725 VanDerWaalsContact O-N 3.11Å; I722-M725 PolarHBondContact O-N 2.9Å; M725-F727 VanDerWaalsContact C-N 3.28Å; M725-F727 PolarHBondContact O-N 2.93Å; M725-V728 PolarHBondContact O-N 2.55Å; M725-L729 WeakPolarHBondContact O-CB 3.37Å; M725-L729 VanDerWaalsContact O-CG 3.25Å; M725-L729 WeakPolarHBondContact O-CG 3.24Å; M725-L729 PolarHBondContact O-N 2.76Å; M725-P739 HydrophobicContact CG-CB 4.09Å; M725-P739 HydrophobicContact CG-CG 4.21Å; M725-P739 HydrophobicContact SD-CG 4.11Å
726	L	89.4	Confident	81.8	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.2	-43.1	177.8	-73.5	167.2	0	0	0	111.4	L670 N674 V677 L678 F685 I722 E723 L729 S730	L670-L726 HydrophobicContact CD2-CD1 3.64Å; N674-L726 HydrophobicContact CB-CD1 4.02Å; N674-L726 WeakPolarHBondContact O-CD2 3.4Å; V677-L726 HydrophobicContact CB-CD2 4.18Å; V677-L726 HydrophobicContact CG1-CD2 4.03Å; L678-L726 HydrophobicContact CB-CD2 3.78Å; L678-L726 HydrophobicContact CG-CD2 4.33Å; F685-L726 HydrophobicContact CE2-CD2 4.32Å; F685-L726 HydrophobicContact CZ-CD2 3.76Å; F685-L726 HydrophobicContact CZ-CG 3.98Å; I722-L726 HydrophobicContact CG2-CD1 3.8Å; I722-L726 HydrophobicContact CG2-CG 4.23Å; I722-L726 WeakPolarHBondContact O-CB 3.39Å; I722-L726 WeakPolarHBondContact O-CG 3.45Å; I722-L726 PolarHBondContact O-N 3.22Å; E723-L726 PolarHBondContact O-N 3.26Å; L726-L729 PolarHBondContact O-N 3.46Å; L726-S730 WeakPolarHBondContact O-CB 3.38Å; L726-S730 PolarHBondContact O-N 3.39Å; L726-S730 PolarHBondContact O-OG 2.89Å
727	F	81.4	Confident	82.6	Confident	83 Å²	83	47.4 Å²	47.4	36%	0.364	24%	0.237	S	C	.	.	H	α-helix	trans	-63.4	-47.3	176.7	177.2	-100.8	0	0	0	112.6	E723 E724 M725 L729 S730 E731	E723-F727 PolarHBondContact O-N 2.6Å; E723-F727 VanDerWaalsContact O-N 3.07Å; E724-F727 PolarHBondContact O-N 3.42Å; M725-F727 VanDerWaalsContact C-N 3.28Å; M725-F727 PolarHBondContact O-N 2.93Å; F727-L729 VanDerWaalsContact C-N 3.3Å; F727-L729 PolarHBondContact O-N 3.11Å; F727-S730 WeakPolarHBondContact CA-OG 3.41Å; F727-S730 PolarHBondContact O-N 3.15Å; F727-S730 PolarHBondContact O-OG 3.11Å; F727-E731 PolarHBondContact O-N 3.19Å; F727-E731 VanDerWaalsContact O-N 3.12Å
728	V	82.2	Confident	83	Confident	44 Å²	44	47.8 Å²	47.8	27%	0.267	24%	0.239	S	C	.	.	H	α-helix	trans	-63.7	-38.9	178.9	174	0	0	0	0	111.2	E724 M725 T732 C737	E724-V728 WeakPolarHBondContact O-CG2 3.27Å; E724-V728 PolarHBondContact O-N 2.99Å; E724-V728 VanDerWaalsContact O-N 3.12Å; M725-V728 PolarHBondContact O-N 2.55Å; V728-T732 PolarHBondContact O-N 3.49Å; V728-T732 PolarHBondContact O-OG1 2.92Å; V728-C737 HydrophobicContact CG1-CB 4.02Å
729	L	86.3	Confident	83.5	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-70.9	-37.2	177.9	-71.8	170.3	0	0	0	112.3	V677 N681 V684 F685 M725 L726 F727 E731 C733 N734 C737	V677-L729 HydrophobicContact CG1-CB 3.81Å; N681-L729 HydrophobicContact CB-CD1 3.82Å; V684-L729 HydrophobicContact CG1-CD1 4.41Å; V684-L729 HydrophobicContact CG1-CD2 4.38Å; V684-L729 HydrophobicContact CG2-CD2 4.41Å; F685-L729 HydrophobicContact CE2-CD1 3.82Å; F685-L729 HydrophobicContact CZ-CD1 4.02Å; M725-L729 WeakPolarHBondContact O-CB 3.37Å; M725-L729 VanDerWaalsContact O-CG 3.25Å; M725-L729 WeakPolarHBondContact O-CG 3.24Å; M725-L729 PolarHBondContact O-N 2.76Å; L726-L729 PolarHBondContact O-N 3.46Å; F727-L729 VanDerWaalsContact C-N 3.3Å; F727-L729 PolarHBondContact O-N 3.11Å; L729-E731 VanDerWaalsContact C-N 3.3Å; L729-E731 PolarHBondContact O-N 3.37Å; L729-C733 WeakPolarHBondContact O-CA 3.31Å; L729-C733 PolarHBondContact O-N 2.9Å; L729-N734 WeakPolarHBondContact CD2-O 3.44Å; L729-C737 HydrophobicContact CD2-CB 4.21Å; L729-C737 HydrophobicContact CG-CB 4.38Å
730	S	80.5	Confident	83.6	Confident	21 Å²	21	46 Å²	46	15%	0.147	23%	0.233	C	C	.	.	H	α-helix	trans	-66.2	-34	176.4	62.6	0	0	0	0	111.9	K177 L726 F727	K177-S730 WeakPolarHBondContact CE-O 3.45Å; K177-S730 PolarHBondContact NZ-O 2.86Å; L726-S730 WeakPolarHBondContact O-CB 3.38Å; L726-S730 PolarHBondContact O-N 3.39Å; L726-S730 PolarHBondContact O-OG 2.89Å; F727-S730 WeakPolarHBondContact CA-OG 3.41Å; F727-S730 PolarHBondContact O-N 3.15Å; F727-S730 PolarHBondContact O-OG 3.11Å
731	E	77.3	Confident	83.8	Confident	135 Å²	135	44.9 Å²	44.9	63%	0.631	23%	0.229	S	C	*	.	H	α-helix	trans	-85.2	-60.1	-178.5	-163.8	58.5	-152.8	0	0	112.3	K177 F727 L729	K177-E731 PolarHBondContact NZ-O 3.34Å; K177-E731 VanDerWaalsContact NZ-O 3.14Å; F727-E731 PolarHBondContact O-N 3.19Å; F727-E731 VanDerWaalsContact O-N 3.12Å; L729-E731 VanDerWaalsContact C-N 3.3Å; L729-E731 PolarHBondContact O-N 3.37Å
732	T	75.8	Confident	83.8	Confident	86 Å²	86	44.7 Å²	44.7	53%	0.528	23%	0.228	S	C	.	.	H	α-helix	trans	-97.4	-12.7	-166.6	64.7	0	0	0	0	115	V728 N734	V728-T732 PolarHBondContact O-N 3.49Å; V728-T732 PolarHBondContact O-OG1 2.92Å; T732-N734 PolarHBondContact O-N 3.3Å; T732-N734 VanDerWaalsContact OG1-CB 3.25Å; T732-N734 WeakPolarHBondContact OG1-CB 3.25Å; T732-N734 PolarHBondContact OG1-N 2.85Å
733	C	71.8	Confident	83.8	Confident	66 Å²	66	50.5 Å²	50.5	45%	0.446	25%	0.25	S	C	.	.			trans	52.2	20.9	-168.1	-58.3	0	0	0	0	113.7	K177 L729 K735	K177-C733 PolarHBondContact NZ-SG 3.11Å; K177-C733 VanDerWaalsContact NZ-SG 3.41Å; L729-C733 WeakPolarHBondContact O-CA 3.31Å; L729-C733 PolarHBondContact O-N 2.9Å; C733-K735 PolarHBondContact O-N 3.12Å; C733-K735 VanDerWaalsContact O-N 3.15Å
734	N	77.3	Confident	83.7	Confident	76 Å²	76	53.8 Å²	53.8	41%	0.406	27%	0.268	S	S	.	.			trans	-74.5	107	-175.3	-175.3	-4.6	0	0	0	111.1	L729 T732 K736 C737	L729-N734 WeakPolarHBondContact CD2-O 3.44Å; T732-N734 PolarHBondContact O-N 3.3Å; T732-N734 VanDerWaalsContact OG1-CB 3.25Å; T732-N734 WeakPolarHBondContact OG1-CB 3.25Å; T732-N734 PolarHBondContact OG1-N 2.85Å; N734-K736 PolarHBondContact O-N 3.41Å; N734-K736 WeakPolarHBondContact OD1-CA 3.46Å; N734-K736 WeakPolarHBondContact OD1-CB 3.42Å; N734-K736 PolarHBondContact OD1-N 3.36Å; N734-C737 WeakPolarHBondContact O-CB 3.3Å; N734-C737 PolarHBondContact O-N 2.83Å; N734-C737 VanDerWaalsContact O-N 3.12Å
735	K	81.1	Confident	83.7	Confident	122 Å²	122	52.7 Å²	52.7	53%	0.53	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-11.7	176.8	-62.7	-168.1	177.1	-167.4	0	113.8	V684 R687 C733 C737	V684-K735 HydrophobicContact CG2-CB 4.25Å; V684-K735 HydrophobicContact CG2-CG 4.34Å; R687-K735 PolarHBondContact NH1-O 2.89Å; R687-K735 PolarHBondContact NH2-O 3.45Å; C733-K735 PolarHBondContact O-N 3.12Å; C733-K735 VanDerWaalsContact O-N 3.15Å; K735-C737 PolarHBondContact O-N 2.68Å
736	K	81.3	Confident	83.7	Confident	72 Å²	72	52.7 Å²	52.7	31%	0.313	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	13.7	171.5	-54.3	-173.6	-174.2	-171.3	0	112.4	E653 N734 R738 D777	E653-K736 IonicContact OE1-NZ 2.66Å; E653-K736 IonicContact OE2-NZ 3.58Å; E653-K736 PolarHBondContact OE2-NZ 3.45Å; N734-K736 PolarHBondContact O-N 3.41Å; N734-K736 WeakPolarHBondContact OD1-CA 3.46Å; N734-K736 WeakPolarHBondContact OD1-CB 3.42Å; N734-K736 PolarHBondContact OD1-N 3.36Å; K736-R738 PolarHBondContact O-N 2.77Å; K736-D777 IonicContact NZ-OD2 3.7Å; K736-D777 PolarHBondContact NZ-OD2 2.87Å
737	C	85.8	Confident	83.5	Confident	6 Å²	6	52.9 Å²	52.9	4%	0.041	27%	0.265	C	S	.	.			trans	-59.1	129.2	179.5	178.5	0	0	0	0	113	V684 N688 V728 L729 N734 K735	V684-C737 HydrophobicContact CG1-CB 4.27Å; N688-C737 PolarHBondContact ND2-O 2.92Å; N688-C737 VanDerWaalsContact ND2-O 3.08Å; V728-C737 HydrophobicContact CG1-CB 4.02Å; L729-C737 HydrophobicContact CD2-CB 4.21Å; L729-C737 HydrophobicContact CG-CB 4.38Å; N734-C737 WeakPolarHBondContact O-CB 3.3Å; N734-C737 PolarHBondContact O-N 2.83Å; N734-C737 VanDerWaalsContact O-N 3.12Å; K735-C737 PolarHBondContact O-N 2.68Å
738	R	89.6	Confident	83.8	Confident	19 Å²	19	51.9 Å²	51.9	7%	0.072	27%	0.269	C	S	.	.			trans	-128.7	136.1	171.8	-57	-61.9	-178.5	167.1	2.5	108.2	S652 Y655 R687 N688 K736 R743 L746	S652-R738 PolarHBondContact O-NE 3.15Å; S652-R738 VanDerWaalsContact O-NE 3.09Å; S652-R738 PolarHBondContact O-NH2 2.78Å; Y655-R738 PolarHBondContact O-NH1 2.91Å; Y655-R738 PolarHBondContact O-NH2 2.87Å; R687-R738 PolarHBondContact O-NH1 3.49Å; N688-R738 WeakPolarHBondContact OD1-CD 3.24Å; N688-R738 PolarHBondContact OD1-NH1 3.27Å; K736-R738 PolarHBondContact O-N 2.77Å; R738-R743 HydrophobicContact CB-CB 4.25Å; R738-L746 HydrophobicContact CG-CD1 4.29Å
739	P	88.1	Confident	84.1	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.271	C	S	.	.			trans	-65.8	152	171.4	28.9	-32.5	0	0	0	109.8	N688 D721 M725 R741 L742 R743	N688-P739 WeakPolarHBondContact OD1-CD 3.18Å; D721-P739 HydrophobicContact CB-CB 3.94Å; D721-P739 HydrophobicContact CB-CG 4.27Å; M725-P739 HydrophobicContact CG-CB 4.09Å; M725-P739 HydrophobicContact CG-CG 4.21Å; M725-P739 HydrophobicContact SD-CG 4.11Å; P739-R741 PolarHBondContact O-N 3.2Å; P739-R741 VanDerWaalsContact O-N 3.12Å; P739-L742 HydrophobicContact CG-CB 3.88Å; P739-L742 HydrophobicContact CG-CD1 3.6Å; P739-L742 HydrophobicContact CG-CG 3.7Å; P739-L742 PolarHBondContact O-N 3.48Å; P739-R743 PolarHBondContact O-N 2.83Å
740	S	85.9	Confident	84.1	Confident	58 Å²	58	53.8 Å²	53.8	41%	0.406	27%	0.27	S	S	.	.	H	α-helix	trans	-50.5	-44.7	-171.4	-74.2	0	0	0	0	112.3	E724 L742 R743 D744	E724-S740 VanDerWaalsContact OE1-CB 3.26Å; E724-S740 WeakPolarHBondContact OE1-CB 3.41Å; E724-S740 PolarHBondContact OE1-N 3.25Å; E724-S740 PolarHBondContact OE1-OG 3.24Å; E724-S740 PolarHBondContact OE2-N 3.32Å; S740-L742 PolarHBondContact O-N 2.78Å; S740-R743 WeakPolarHBondContact O-CB 3.35Å; S740-R743 PolarHBondContact O-N 2.92Å; S740-D744 PolarHBondContact O-N 2.86Å
741	R	83.6	Confident	84.3	Confident	78 Å²	78	54.8 Å²	54.8	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-63.7	-41.8	179.3	-67.9	-165	-66.3	159.2	-23.4	113.6	L716 F717 D721 P739 R743 I745	L716-R741 PolarHBondContact O-NH1 3.47Å; L716-R741 PolarHBondContact O-NH2 3.07Å; F717-R741 HydrophobicContact CE1-CB 3.57Å; F717-R741 HydrophobicContact CZ-CB 4.09Å; D721-R741 IonicContact OD1-CZ 2.75Å; D721-R741 VanDerWaalsContact OD1-CZ 3.22Å; D721-R741 IonicContact OD1-NE 3.89Å; D721-R741 PolarHBondContact OD1-NE 2.65Å; D721-R741 IonicContact OD1-NH2 3.73Å; D721-R741 PolarHBondContact OD1-NH2 2.78Å; D721-R741 IonicContact OD2-CZ 3.19Å; D721-R741 IonicContact OD2-NE 2.82Å; D721-R741 IonicContact OD2-NH2 3.61Å; D721-R741 PolarHBondContact OD2-NH2 3.48Å; P739-R741 PolarHBondContact O-N 3.2Å; P739-R741 VanDerWaalsContact O-N 3.12Å; R741-R743 VanDerWaalsContact C-N 3.34Å; R741-I745 VanDerWaalsContact O-CD1 3.29Å; R741-I745 WeakPolarHBondContact O-CD1 3.19Å; R741-I745 VanDerWaalsContact O-CG1 3.29Å; R741-I745 WeakPolarHBondContact O-CG1 3.42Å; R741-I745 PolarHBondContact O-N 3.41Å
742	L	88.6	Confident	84.6	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-69.5	-37.2	175.3	-68.3	-177.5	0	0	0	110.8	F657 N688 P710 F717 P739 S740 I745 L746	F657-L742 HydrophobicContact CD1-CD2 3.63Å; F657-L742 HydrophobicContact CD2-CD1 3.87Å; F657-L742 HydrophobicContact CD2-CD2 4.13Å; F657-L742 HydrophobicContact CD2-CG 4.42Å; F657-L742 HydrophobicContact CE1-CB 4.46Å; F657-L742 HydrophobicContact CE1-CD2 3.5Å; F657-L742 VanDerWaalsContact CE1-CD2 3.5Å; F657-L742 HydrophobicContact CE1-CG 4.45Å; F657-L742 HydrophobicContact CE2-CB 3.83Å; F657-L742 HydrophobicContact CE2-CD1 3.97Å; F657-L742 HydrophobicContact CE2-CD2 3.99Å; F657-L742 HydrophobicContact CE2-CG 4.14Å; F657-L742 HydrophobicContact CG-CD1 4.26Å; F657-L742 HydrophobicContact CG-CD2 3.95Å; F657-L742 HydrophobicContact CZ-CB 3.76Å; F657-L742 HydrophobicContact CZ-CD1 4.45Å; F657-L742 HydrophobicContact CZ-CD2 3.67Å; F657-L742 HydrophobicContact CZ-CG 4.15Å; N688-L742 HydrophobicContact CB-CD1 3.75Å; N688-L742 WeakPolarHBondContact O-CD1 3.4Å; N688-L742 VanDerWaalsContact OD1-CD1 3.31Å; N688-L742 WeakPolarHBondContact OD1-CD1 3.17Å; P710-L742 HydrophobicContact CB-CD2 4.48Å; P710-L742 HydrophobicContact CG-CD1 4.36Å; P710-L742 HydrophobicContact CG-CD2 4.41Å; F717-L742 HydrophobicContact CD1-CD2 4.13Å; F717-L742 HydrophobicContact CD1-CG 4.08Å; F717-L742 HydrophobicContact CE1-CB 4.45Å; F717-L742 HydrophobicContact CE1-CD1 4.4Å; F717-L742 HydrophobicContact CE1-CD2 3.35Å; F717-L742 HydrophobicContact CE1-CG 3.42Å; F717-L742 VanDerWaalsContact CE1-CG 3.42Å; F717-L742 HydrophobicContact CE2-CD2 3.81Å; F717-L742 HydrophobicContact CZ-CD2 3.16Å; F717-L742 HydrophobicContact CZ-CG 3.81Å; P739-L742 HydrophobicContact CG-CB 3.88Å; P739-L742 HydrophobicContact CG-CD1 3.6Å; P739-L742 HydrophobicContact CG-CG 3.7Å; P739-L742 PolarHBondContact O-N 3.48Å; S740-L742 PolarHBondContact O-N 2.78Å; L742-I745 HydrophobicContact CD2-CD1 4.12Å; L742-I745 WeakPolarHBondContact O-CB 3.06Å; L742-I745 PolarHBondContact O-N 2.76Å; L742-L746 WeakPolarHBondContact O-CG 3.4Å; L742-L746 PolarHBondContact O-N 2.99Å
743	R	88.9	Confident	85.1	Confident	122 Å²	122	58 Å²	58	46%	0.46	29%	0.286	S	S	.	.	H	α-helix	trans	-60.6	-44.2	175	-167.4	-174.3	169.4	178.1	-3.8	111.7	F648 R738 P739 S740 R741 I745 L746 A747	F648-R743 HydrophobicContact CE2-CG 4Å; F648-R743 HydrophobicContact CZ-CG 3.61Å; R738-R743 HydrophobicContact CB-CB 4.25Å; P739-R743 PolarHBondContact O-N 2.83Å; S740-R743 WeakPolarHBondContact O-CB 3.35Å; S740-R743 PolarHBondContact O-N 2.92Å; R741-R743 VanDerWaalsContact C-N 3.34Å; R743-I745 VanDerWaalsContact C-N 3.28Å; R743-I745 PolarHBondContact O-N 2.81Å; R743-L746 PolarHBondContact O-N 3.49Å; R743-L746 VanDerWaalsContact O-N 3.16Å; R743-A747 WeakPolarHBondContact O-CB 3.39Å; R743-A747 PolarHBondContact O-N 3.49Å
744	D	85.2	Confident	85.9	Confident	85 Å²	85	55.3 Å²	55.3	46%	0.455	27%	0.268	S	S	.	.	H	α-helix	trans	-62.5	-36.2	177.6	-66.8	-22.9	0	0	0	111.9	S740 A747 S748	S740-D744 PolarHBondContact O-N 2.86Å; D744-A747 PolarHBondContact O-N 2.94Å; D744-S748 WeakPolarHBondContact O-CB 3.27Å; D744-S748 PolarHBondContact O-N 2.94Å; D744-S748 PolarHBondContact O-OG 2.78Å
745	I	86.9	Confident	86.5	Confident	28 Å²	28	52.8 Å²	52.8	14%	0.144	26%	0.255	C	S	.	.	H	α-helix	trans	-65.2	-44.4	174.4	-66.3	156.7	0	0	0	110.6	F657 L712 F717 R741 L742 R743 S748 R749	F657-I745 HydrophobicContact CE1-CG2 4.2Å; L712-I745 HydrophobicContact CD2-CB 4.45Å; L712-I745 HydrophobicContact CD2-CD1 3.28Å; L712-I745 HydrophobicContact CD2-CG1 3.54Å; L712-I745 HydrophobicContact CD2-CG2 4.03Å; L712-I745 HydrophobicContact CG-CD1 4.5Å; F717-I745 HydrophobicContact CZ-CD1 3.88Å; R741-I745 VanDerWaalsContact O-CD1 3.29Å; R741-I745 WeakPolarHBondContact O-CD1 3.19Å; R741-I745 VanDerWaalsContact O-CG1 3.29Å; R741-I745 WeakPolarHBondContact O-CG1 3.42Å; R741-I745 PolarHBondContact O-N 3.41Å; L742-I745 HydrophobicContact CD2-CD1 4.12Å; L742-I745 WeakPolarHBondContact O-CB 3.06Å; L742-I745 PolarHBondContact O-N 2.76Å; R743-I745 VanDerWaalsContact C-N 3.28Å; R743-I745 PolarHBondContact O-N 2.81Å; I745-S748 PolarHBondContact O-N 3.04Å; I745-R749 WeakPolarHBondContact O-CB 3.36Å; I745-R749 WeakPolarHBondContact O-CG 3.29Å; I745-R749 PolarHBondContact O-N 2.86Å
746	L	89.8	Confident	86.8	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.6	-40.3	176.6	-62.4	-177.8	0	0	0	111.5	F648 L651 Y655 F657 R738 L742 R743 R749 S750	F648-L746 HydrophobicContact CD2-CB 4.21Å; F648-L746 HydrophobicContact CE2-CB 4Å; L651-L746 HydrophobicContact CB-CD2 4.32Å; Y655-L746 HydrophobicContact CD1-CD2 3.72Å; Y655-L746 HydrophobicContact CD2-CD2 4.42Å; Y655-L746 HydrophobicContact CE1-CD2 4.37Å; Y655-L746 HydrophobicContact CG-CD2 3.77Å; F657-L746 HydrophobicContact CE2-CD1 4.26Å; F657-L746 HydrophobicContact CE2-CD2 4.16Å; F657-L746 HydrophobicContact CE2-CG 4.27Å; F657-L746 HydrophobicContact CZ-CD1 4.34Å; F657-L746 HydrophobicContact CZ-CD2 3.67Å; F657-L746 HydrophobicContact CZ-CG 3.86Å; R738-L746 HydrophobicContact CG-CD1 4.29Å; L742-L746 WeakPolarHBondContact O-CG 3.4Å; L742-L746 PolarHBondContact O-N 2.99Å; R743-L746 PolarHBondContact O-N 3.49Å; R743-L746 VanDerWaalsContact O-N 3.16Å; L746-R749 PolarHBondContact O-N 2.78Å; L746-S750 PolarHBondContact O-N 3.15Å; L746-S750 PolarHBondContact O-OG 2.97Å; L746-S750 VanDerWaalsContact O-OG 3.13Å
747	A	86.3	Confident	86.9	Confident	5 Å²	5	54.1 Å²	54.1	4%	0.041	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-43.8	175.4	0	0	0	0	0	111.9	F648 R743 D744 R749 S750 C751 P783	F648-A747 HydrophobicContact CD2-CB 4.07Å; F648-A747 HydrophobicContact CE2-CB 3.97Å; R743-A747 WeakPolarHBondContact O-CB 3.39Å; R743-A747 PolarHBondContact O-N 3.49Å; D744-A747 PolarHBondContact O-N 2.94Å; A747-R749 VanDerWaalsContact C-N 3.35Å; A747-R749 PolarHBondContact O-N 2.88Å; A747-S750 WeakPolarHBondContact CA-OG 3.28Å; A747-S750 PolarHBondContact O-N 2.86Å; A747-S750 PolarHBondContact O-OG 2.71Å; A747-C751 WeakPolarHBondContact O-CB 3.26Å; A747-C751 PolarHBondContact O-N 3.42Å; A747-P783 HydrophobicContact CB-CB 3.84Å
748	S	86.3	Confident	86.9	Confident	62 Å²	62	56 Å²	56	43%	0.434	29%	0.288	S	S	.	.	H	α-helix	trans	-64.2	-39.9	176.3	-60.8	0	0	0	0	111.8	D744 I745 R752	D744-S748 WeakPolarHBondContact O-CB 3.27Å; D744-S748 PolarHBondContact O-N 2.94Å; D744-S748 PolarHBondContact O-OG 2.78Å; I745-S748 PolarHBondContact O-N 3.04Å; S748-R752 WeakPolarHBondContact O-CG 3.26Å; S748-R752 PolarHBondContact O-N 2.7Å; S748-R752 VanDerWaalsContact O-N 3.16Å
749	R	88.5	Confident	87	Confident	87 Å²	87	57.9 Å²	57.9	33%	0.328	30%	0.302	S	S	.	.	H	α-helix	trans	-66.3	-44.1	174.8	-78.6	-179.4	172.3	148.5	-5.2	112.3	L651 Y655 I745 L746 A747 C751 R752 S753	L651-R749 HydrophobicContact CD1-CB 4.12Å; Y655-R749 PolarHBondContact OH-NH1 2.84Å; Y655-R749 PolarHBondContact OH-NH2 3.4Å; I745-R749 WeakPolarHBondContact O-CB 3.36Å; I745-R749 WeakPolarHBondContact O-CG 3.29Å; I745-R749 PolarHBondContact O-N 2.86Å; L746-R749 PolarHBondContact O-N 2.78Å; A747-R749 VanDerWaalsContact C-N 3.35Å; A747-R749 PolarHBondContact O-N 2.88Å; R749-C751 VanDerWaalsContact C-N 3.3Å; R749-C751 PolarHBondContact O-N 2.76Å; R749-R752 PolarHBondContact O-N 2.88Å; R749-S753 PolarHBondContact O-N 3.4Å; R749-S753 PolarHBondContact O-OG 2.87Å
750	S	87.8	Confident	87.2	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.5	-37.4	177.4	52.3	0	0	0	0	112.1	E644 L746 A747 S753 A754	E644-S750 WeakPolarHBondContact O-CB 2.97Å; L746-S750 PolarHBondContact O-N 3.15Å; L746-S750 PolarHBondContact O-OG 2.97Å; L746-S750 VanDerWaalsContact O-OG 3.13Å; A747-S750 WeakPolarHBondContact CA-OG 3.28Å; A747-S750 PolarHBondContact O-N 2.86Å; A747-S750 PolarHBondContact O-OG 2.71Å; S750-S753 PolarHBondContact O-N 3.11Å; S750-A754 WeakPolarHBondContact O-CB 3.26Å; S750-A754 PolarHBondContact O-N 3.08Å; S750-A754 VanDerWaalsContact O-N 3.13Å
751	C	83.1	Confident	87.5	Confident	42 Å²	42	59.3 Å²	59.3	28%	0.284	31%	0.314	S	S	.	.	H	α-helix	trans	-64.9	-47.1	178.5	-173.4	0	0	0	0	111.6	E644 A747 R749 S753 A754	E644-C751 HydrophobicContact CG-CB 4.38Å; E644-C751 WeakPolarHBondContact OE2-CA 3.38Å; E644-C751 VanDerWaalsContact OE2-CB 3.22Å; E644-C751 WeakPolarHBondContact OE2-CB 3.38Å; E644-C751 PolarHBondContact OE2-SG 2.83Å; A747-C751 WeakPolarHBondContact O-CB 3.26Å; A747-C751 PolarHBondContact O-N 3.42Å; R749-C751 VanDerWaalsContact C-N 3.3Å; R749-C751 PolarHBondContact O-N 2.76Å; C751-S753 VanDerWaalsContact C-N 3.27Å; C751-S753 PolarHBondContact O-N 2.93Å; C751-A754 PolarHBondContact O-N 3.39Å
752	R	84.6	Confident	88	Confident	214 Å²	214	59.3 Å²	59.3	81%	0.808	32%	0.321	S	S	*	.	H	α-helix	trans	-64.6	-28.8	178.9	-72.1	-177.6	-179.3	-172.2	1.5	113.7	S748 R749	S748-R752 WeakPolarHBondContact O-CG 3.26Å; S748-R752 PolarHBondContact O-N 2.7Å; S748-R752 VanDerWaalsContact O-N 3.16Å; R749-R752 PolarHBondContact O-N 2.88Å
753	S	85.5	Confident	88.3	Confident	76 Å²	76	64.2 Å²	64.2	53%	0.531	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-4.9	179.2	-59.7	0	0	0	0	113.9	R647 R749 S750 C751	R647-S753 PolarHBondContact NE-O 3.38Å; R647-S753 VanDerWaalsContact NE-O 3.14Å; R647-S753 PolarHBondContact NH2-O 2.98Å; R647-S753 VanDerWaalsContact NH2-O 3.14Å; R749-S753 PolarHBondContact O-N 3.4Å; R749-S753 PolarHBondContact O-OG 2.87Å; S750-S753 PolarHBondContact O-N 3.11Å; C751-S753 VanDerWaalsContact C-N 3.27Å; C751-S753 PolarHBondContact O-N 2.93Å
754	A	90.1	Very high	88.6	Confident	8 Å²	8	66.1 Å²	66.1	7%	0.066	36%	0.355	C	S	.	.	S	Bend	trans	-79.7	157.2	-178.4	0	0	0	0	0	113.1	E644 S750 C751 M756	E644-A754 HydrophobicContact CB-CB 3.9Å; S750-A754 WeakPolarHBondContact O-CB 3.26Å; S750-A754 PolarHBondContact O-N 3.08Å; S750-A754 VanDerWaalsContact O-N 3.13Å; C751-A754 PolarHBondContact O-N 3.39Å; A754-M756 PolarHBondContact O-N 3.45Å
755	V	89	Confident	89	Confident	23 Å²	23	66.2 Å²	66.2	14%	0.139	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-53.5	125.9	168.8	167.8	0	0	0	0	109.3	Q639 H640 D643 T759 L761	Q639-V755 HydrophobicContact CG-CG1 3.94Å; H640-V755 WeakPolarHBondContact CA-O 3.38Å; H640-V755 WeakPolarHBondContact CB-O 3.27Å; H640-V755 PolarHBondContact ND1-O 2.88Å; D643-V755 VanDerWaalsContact OD2-CG2 3.24Å; D643-V755 WeakPolarHBondContact OD2-CG2 3.26Å; D643-V755 PolarHBondContact OD2-N 3.42Å; D643-V755 VanDerWaalsContact OD2-N 3.1Å; V755-T759 HydrophobicContact CG1-CG2 4.5Å; V755-L761 HydrophobicContact CG1-CD1 4.23Å; V755-L761 HydrophobicContact CG1-CD2 3.86Å; V755-L761 HydrophobicContact CG1-CG 4.35Å; V755-L761 HydrophobicContact CG2-CD2 4.19Å
756	M	88.6	Confident	89.5	Confident	125 Å²	125	65.4 Å²	65.4	62%	0.616	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-78	150.3	179.9	-64.2	-173.3	179.1	0	0	111.5	Q639 A754 G758 T759	Q639-M756 PolarHBondContact NE2-O 3.1Å; A754-M756 PolarHBondContact O-N 3.45Å; M756-G758 PolarHBondContact O-N 2.92Å; M756-T759 PolarHBondContact N-OG1 2.92Å; M756-T759 VanDerWaalsContact O-CB 3.26Å; M756-T759 WeakPolarHBondContact O-CB 3.21Å; M756-T759 PolarHBondContact O-N 2.64Å; M756-T759 VanDerWaalsContact O-N 3.15Å; M756-T759 PolarHBondContact O-OG1 3.11Å
757	I	82.6	Confident	89.7	Confident	98 Å²	98	71.2 Å²	71.2	50%	0.503	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	134	166.7	-61.2	172.5	0	0	0	108.1	H640	H640-I757 HydrophobicContact CB-CG1 3.88Å
758	G	86.6	Confident	90.2	Very high	45 Å²	45	77.1 Å²	77.1	46%	0.464	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.2	-9.4	-172.8	0	0	0	0	0	114	L623 M756 A760	L623-G758 CarbonylContact O-C 3.47Å; L623-G758 VanDerWaalsContact O-CA 3.26Å; L623-G758 WeakPolarHBondContact O-CA 3.37Å; L623-G758 PolarHBondContact O-N 3.03Å; M756-G758 PolarHBondContact O-N 2.92Å; G758-A760 PolarHBondContact O-N 3.36Å
759	T	90	Very high	90.6	Very high	59 Å²	59	74.3 Å²	74.3	36%	0.362	37%	0.373	S	S	.	.			trans	-78.3	121	178.2	-47.8	0	0	0	0	110.1	Q620 Q639 V755 M756 L761	Q620-T759 PolarHBondContact NE2-O 3.47Å; Q639-T759 PolarHBondContact NE2-O 3.03Å; V755-T759 HydrophobicContact CG1-CG2 4.5Å; M756-T759 PolarHBondContact N-OG1 2.92Å; M756-T759 VanDerWaalsContact O-CB 3.26Å; M756-T759 WeakPolarHBondContact O-CB 3.21Å; M756-T759 PolarHBondContact O-N 2.64Å; M756-T759 VanDerWaalsContact O-N 3.15Å; M756-T759 PolarHBondContact O-OG1 3.11Å; T759-L761 HydrophobicContact CG2-CD2 4.47Å; T759-L761 PolarHBondContact O-N 2.9Å
760	A	92.4	Very high	90.9	Very high	71 Å²	71	70.3 Å²	70.3	59%	0.587	36%	0.358	S	S	*	.			trans	-67	129	171.6	0	0	0	0	0	110.6	L623 G758	L623-A760 HydrophobicContact CD2-CB 3.92Å; G758-A760 PolarHBondContact O-N 3.36Å
761	L	93.4	Very high	91.2	Very high	16 Å²	16	73.3 Å²	73.3	8%	0.084	38%	0.377	C	S	.	.			trans	-110.5	135	-178.5	-65.2	-179.2	0	0	0	111.3	I626 Q639 V755 T759 K765 M766 I769	I626-L761 HydrophobicContact CD1-CD1 4.28Å; I626-L761 HydrophobicContact CG1-CD1 4.49Å; Q639-L761 HydrophobicContact CB-CD1 3.88Å; Q639-L761 HydrophobicContact CG-CD1 4.19Å; V755-L761 HydrophobicContact CG1-CD1 4.23Å; V755-L761 HydrophobicContact CG1-CD2 3.86Å; V755-L761 HydrophobicContact CG1-CG 4.35Å; V755-L761 HydrophobicContact CG2-CD2 4.19Å; T759-L761 HydrophobicContact CG2-CD2 4.47Å; T759-L761 PolarHBondContact O-N 2.9Å; L761-K765 HydrophobicContact CD2-CB 4.27Å; L761-K765 HydrophobicContact CD2-CD 4.14Å; L761-M766 HydrophobicContact CB-CG 3.73Å; L761-M766 HydrophobicContact CD1-CG 4.24Å; L761-I769 HydrophobicContact CD1-CD1 3.86Å
762	D	94.1	Very high	91.8	Very high	79 Å²	79	72.5 Å²	72.5	42%	0.422	37%	0.37	S	S	.	.			trans	-72.7	161.8	168.3	66.2	16.5	0	0	0	110.8	K764 K765 M766	D762-K764 PolarHBondContact O-N 2.91Å; D762-K764 PolarHBondContact OD1-N 3.07Å; D762-K765 PolarHBondContact O-N 3.33Å; D762-K765 WeakPolarHBondContact OD1-CA 3.42Å; D762-K765 WeakPolarHBondContact OD1-CB 3.39Å; D762-K765 WeakPolarHBondContact OD1-CD 3.34Å; D762-K765 WeakPolarHBondContact OD1-CG 3.25Å; D762-K765 PolarHBondContact OD1-N 3.07Å; D762-M766 WeakPolarHBondContact O-CG 3.46Å; D762-M766 PolarHBondContact O-N 3.1Å
763	H	94.4	Very high	92.3	Very high	103 Å²	103	62.4 Å²	62.4	48%	0.477	33%	0.332	S	S	.	.	H	α-helix	trans	-59.1	-34	-179.2	-161	-82.3	0	0	0	112.5	V617 M766 K767	V617-H763 PolarHBondContact O-NE2 3.44Å; V617-H763 VanDerWaalsContact O-NE2 3.14Å; H763-M766 HydrophobicContact CB-CE 4.36Å; H763-M766 PolarHBondContact O-N 2.98Å; H763-K767 WeakPolarHBondContact O-CB 3.46Å; H763-K767 PolarHBondContact O-N 3.19Å
764	K	94.8	Very high	92.5	Very high	163 Å²	163	59.2 Å²	59.2	71%	0.709	31%	0.311	S	S	*	.	H	α-helix	trans	-65.9	-44.9	179	-169.7	178.7	178.4	-175.9	0	112.3	D762 K767 R768	D762-K764 PolarHBondContact O-N 2.91Å; D762-K764 PolarHBondContact OD1-N 3.07Å; K764-K767 PolarHBondContact O-N 3.35Å; K764-R768 WeakPolarHBondContact O-CB 3.27Å; K764-R768 PolarHBondContact O-N 3.28Å
765	K	94.3	Very high	92.6	Very high	87 Å²	87	61.9 Å²	61.9	38%	0.378	33%	0.329	S	S	.	.	H	α-helix	trans	-67	-42	176.1	-73.3	168	-172.4	177.9	0	110.7	L761 D762 K767 R768 I769	L761-K765 HydrophobicContact CD2-CB 4.27Å; L761-K765 HydrophobicContact CD2-CD 4.14Å; D762-K765 PolarHBondContact O-N 3.33Å; D762-K765 WeakPolarHBondContact OD1-CA 3.42Å; D762-K765 WeakPolarHBondContact OD1-CB 3.39Å; D762-K765 WeakPolarHBondContact OD1-CD 3.34Å; D762-K765 WeakPolarHBondContact OD1-CG 3.25Å; D762-K765 PolarHBondContact OD1-N 3.07Å; K765-K767 VanDerWaalsContact C-N 3.35Å; K765-K767 PolarHBondContact O-N 2.67Å; K765-R768 WeakPolarHBondContact O-CB 3.45Å; K765-R768 PolarHBondContact O-N 3.08Å; K765-I769 WeakPolarHBondContact O-CG1 3.44Å; K765-I769 PolarHBondContact O-N 3.48Å
766	M	96.3	Very high	92.7	Very high	11 Å²	11	60.9 Å²	60.9	5%	0.054	32%	0.323	C	S	.	.	H	α-helix	trans	-58.3	-48.4	174.8	-69	-169.9	-81.8	0	0	111	V617 Q620 I626 L761 D762 H763 R768 I769 L770	V617-M766 HydrophobicContact CG1-CB 3.81Å; V617-M766 HydrophobicContact CG1-CE 3.92Å; V617-M766 HydrophobicContact CG1-CG 4.44Å; V617-M766 HydrophobicContact CG1-SD 3.81Å; V617-M766 HydrophobicContact CG2-CB 4.14Å; Q620-M766 HydrophobicContact CB-SD 3.95Å; I626-M766 HydrophobicContact CD1-CB 4.05Å; I626-M766 HydrophobicContact CD1-CG 4Å; I626-M766 HydrophobicContact CG1-CB 4.33Å; I626-M766 HydrophobicContact CG1-CG 3.91Å; I626-M766 HydrophobicContact CG1-SD 4.19Å; I626-M766 HydrophobicContact CG2-CB 4.17Å; I626-M766 HydrophobicContact CG2-CG 4.35Å; I626-M766 HydrophobicContact CG2-SD 4.17Å; L761-M766 HydrophobicContact CB-CG 3.73Å; L761-M766 HydrophobicContact CD1-CG 4.24Å; D762-M766 WeakPolarHBondContact O-CG 3.46Å; D762-M766 PolarHBondContact O-N 3.1Å; H763-M766 HydrophobicContact CB-CE 4.36Å; H763-M766 PolarHBondContact O-N 2.98Å; M766-R768 VanDerWaalsContact C-N 3.35Å; M766-R768 PolarHBondContact O-N 3.05Å; M766-I769 PolarHBondContact O-N 3.03Å; M766-L770 PolarHBondContact O-N 3.04Å
767	K	95.4	Very high	92.6	Very high	122 Å²	122	58.7 Å²	58.7	53%	0.53	31%	0.314	S	S	.	.	H	α-helix	trans	-61	-41.7	176.2	-170.9	174	-176.7	177	0	112.2	V617 H763 K764 K765 I769 L770 T771	V617-K767 HydrophobicContact CG2-CB 4.46Å; H763-K767 WeakPolarHBondContact O-CB 3.46Å; H763-K767 PolarHBondContact O-N 3.19Å; K764-K767 PolarHBondContact O-N 3.35Å; K765-K767 VanDerWaalsContact C-N 3.35Å; K765-K767 PolarHBondContact O-N 2.67Å; K767-I769 PolarHBondContact O-N 2.91Å; K767-L770 PolarHBondContact O-N 3.27Å; K767-T771 PolarHBondContact O-N 3.3Å; K767-T771 PolarHBondContact O-OG1 3Å
768	R	95.4	Very high	92.8	Very high	128 Å²	128	60.1 Å²	60.1	48%	0.483	32%	0.318	S	S	.	.	H	α-helix	trans	-59.8	-42.4	176.5	-176	179.7	67.7	-176	2	112.3	K764 K765 M766 L770 T771 N772	K764-R768 WeakPolarHBondContact O-CB 3.27Å; K764-R768 PolarHBondContact O-N 3.28Å; K765-R768 WeakPolarHBondContact O-CB 3.45Å; K765-R768 PolarHBondContact O-N 3.08Å; M766-R768 VanDerWaalsContact C-N 3.35Å; M766-R768 PolarHBondContact O-N 3.05Å; R768-L770 VanDerWaalsContact C-N 3.33Å; R768-L770 PolarHBondContact O-N 3.13Å; R768-T771 PolarHBondContact O-N 3.44Å; R768-N772 WeakPolarHBondContact O-CB 3.04Å; R768-N772 PolarHBondContact O-N 2.96Å; R768-N772 PolarHBondContact O-OD1 3.2Å
769	I	95.6	Very high	92.9	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.015	30%	0.299	C	S	.	.	H	α-helix	trans	-59.8	-46	177.1	-70.5	168.7	0	0	0	110	I626 Q639 D643 L761 K765 M766 K767 N772 M773	I626-I769 HydrophobicContact CD1-CB 4.17Å; I626-I769 HydrophobicContact CD1-CD1 3.95Å; I626-I769 HydrophobicContact CD1-CG2 4.17Å; Q639-I769 HydrophobicContact CB-CD1 4.43Å; D643-I769 HydrophobicContact CB-CD1 4.4Å; D643-I769 HydrophobicContact CB-CG1 4.38Å; L761-I769 HydrophobicContact CD1-CD1 3.86Å; K765-I769 WeakPolarHBondContact O-CG1 3.44Å; K765-I769 PolarHBondContact O-N 3.48Å; M766-I769 PolarHBondContact O-N 3.03Å; K767-I769 PolarHBondContact O-N 2.91Å; I769-N772 WeakPolarHBondContact O-CB 3.37Å; I769-N772 PolarHBondContact O-N 3.23Å; I769-M773 WeakPolarHBondContact O-CG 3.31Å; I769-M773 PolarHBondContact O-N 3.29Å
770	L	95.2	Very high	93	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.016	30%	0.301	C	S	.	.	H	α-helix	trans	-63.3	-43.7	177.3	-60.8	-178.7	0	0	0	112.3	L615 V617 A628 I637 M766 K767 R768 N772 M773 G774	L615-L770 HydrophobicContact CB-CD1 3.81Å; L615-L770 HydrophobicContact CD1-CD1 4.3Å; L615-L770 HydrophobicContact CD1-CD2 4.05Å; V617-L770 HydrophobicContact CG2-CD1 3.48Å; V617-L770 VanDerWaalsContact CG2-CD1 3.48Å; V617-L770 HydrophobicContact CG2-CG 4.5Å; A628-L770 HydrophobicContact CB-CD1 3.92Å; I637-L770 HydrophobicContact CB-CD2 4.36Å; I637-L770 HydrophobicContact CD1-CD2 3.98Å; I637-L770 HydrophobicContact CG1-CD2 3.83Å; I637-L770 HydrophobicContact CG2-CD2 4.22Å; M766-L770 PolarHBondContact O-N 3.04Å; K767-L770 PolarHBondContact O-N 3.27Å; R768-L770 VanDerWaalsContact C-N 3.33Å; R768-L770 PolarHBondContact O-N 3.13Å; L770-N772 VanDerWaalsContact C-N 3.32Å; L770-N772 PolarHBondContact O-N 3.42Å; L770-M773 HydrophobicContact CD2-SD 4.1Å; L770-M773 WeakPolarHBondContact O-CB 3.36Å; L770-M773 PolarHBondContact O-N 3.48Å; L770-M773 VanDerWaalsContact O-N 3.12Å; L770-G774 PolarHBondContact O-N 3.37Å
771	T	94.3	Very high	92.9	Very high	63 Å²	63	61.4 Å²	61.4	39%	0.387	29%	0.294	S	S	.	.	H	α-helix	trans	-60.4	-42	174.9	-59.4	0	0	0	0	112	K767 R768 M773 G774	K767-T771 PolarHBondContact O-N 3.3Å; K767-T771 PolarHBondContact O-OG1 3Å; R768-T771 PolarHBondContact O-N 3.44Å; T771-M773 VanDerWaalsContact C-N 3.27Å; T771-M773 PolarHBondContact O-N 3.2Å; T771-G774 PolarHBondContact O-N 2.91Å; T771-G774 VanDerWaalsContact O-N 3.13Å
772	N	95.2	Very high	92.6	Very high	26 Å²	26	61 Å²	61	14%	0.139	29%	0.293	C	S	.	.	H	α-helix	trans	-60.2	-38.7	175.5	-74.7	-5.2	0	0	0	111.3	Y646 R768 I769 L770 G774 S775 M776	Y646-N772 HydrophobicContact CD1-CB 4.25Å; Y646-N772 HydrophobicContact CD2-CB 3.66Å; Y646-N772 HydrophobicContact CE2-CB 3.97Å; Y646-N772 HydrophobicContact CG-CB 3.8Å; R768-N772 WeakPolarHBondContact O-CB 3.04Å; R768-N772 PolarHBondContact O-N 2.96Å; R768-N772 PolarHBondContact O-OD1 3.2Å; I769-N772 WeakPolarHBondContact O-CB 3.37Å; I769-N772 PolarHBondContact O-N 3.23Å; L770-N772 VanDerWaalsContact C-N 3.32Å; L770-N772 PolarHBondContact O-N 3.42Å; N772-G774 VanDerWaalsContact C-N 3.28Å; N772-G774 PolarHBondContact O-N 2.83Å; N772-S775 PolarHBondContact O-N 3.03Å; N772-S775 PolarHBondContact O-OG 3.25Å; N772-M776 WeakPolarHBondContact O-CG 3.25Å; N772-M776 PolarHBondContact O-N 3.02Å
773	M	94.4	Very high	91.8	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-59.1	-37.3	175.2	-64.2	175.5	77.3	0	0	113.3	F612 I637 I769 L770 T771 S775 M776 P779 M789	F612-M773 HydrophobicContact CD1-CB 3.64Å; F612-M773 HydrophobicContact CD1-CE 4.41Å; F612-M773 HydrophobicContact CD1-SD 4.48Å; F612-M773 HydrophobicContact CE1-CB 3.96Å; F612-M773 HydrophobicContact CE1-CE 3.86Å; F612-M773 HydrophobicContact CG-CB 4.16Å; I637-M773 HydrophobicContact CG2-CE 4.33Å; I637-M773 HydrophobicContact CG2-SD 3.75Å; I769-M773 WeakPolarHBondContact O-CG 3.31Å; I769-M773 PolarHBondContact O-N 3.29Å; L770-M773 HydrophobicContact CD2-SD 4.1Å; L770-M773 WeakPolarHBondContact O-CB 3.36Å; L770-M773 PolarHBondContact O-N 3.48Å; L770-M773 VanDerWaalsContact O-N 3.12Å; T771-M773 VanDerWaalsContact C-N 3.27Å; T771-M773 PolarHBondContact O-N 3.2Å; M773-S775 PolarHBondContact O-N 2.84Å; M773-M776 VanDerWaalsContact CA-CE 3.44Å; M773-M776 HydrophobicContact CB-CE 3.83Å; M773-M776 HydrophobicContact CG-CE 3.5Å; M773-M776 VanDerWaalsContact CG-CE 3.5Å; M773-M776 PolarHBondContact O-N 3.47Å; M773-P779 HydrophobicContact CB-CB 4.35Å; M773-M789 HydrophobicContact CE-CB 4.18Å; M773-M789 HydrophobicContact CE-CG 4.29Å; M773-M789 HydrophobicContact CE-SD 3.85Å
774	G	91.5	Very high	91.1	Very high	9 Å²	9	59.1 Å²	59.1	9%	0.093	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-23.9	174.5	0	0	0	0	0	114.2	K609 L770 T771 N772	K609-G774 WeakPolarHBondContact CB-O 3.45Å; K609-G774 WeakPolarHBondContact CD-O 3.47Å; K609-G774 WeakPolarHBondContact CG-O 3.49Å; K609-G774 WeakPolarHBondContact O-CA 3.46Å; L770-G774 PolarHBondContact O-N 3.37Å; T771-G774 PolarHBondContact O-N 2.91Å; T771-G774 VanDerWaalsContact O-N 3.13Å; N772-G774 VanDerWaalsContact C-N 3.28Å; N772-G774 PolarHBondContact O-N 2.83Å
775	S	91.1	Very high	90.5	Very high	64 Å²	64	53.7 Å²	53.7	45%	0.448	27%	0.274	S	S	.	.	H	α-helix	trans	-86.8	-19.4	179.4	72.8	0	0	0	0	114.3	Y646 N772 M773	Y646-S775 WeakPolarHBondContact CE2-OG 3.33Å; N772-S775 PolarHBondContact O-N 3.03Å; N772-S775 PolarHBondContact O-OG 3.25Å; M773-S775 PolarHBondContact O-N 2.84Å
776	M	91.7	Very high	90	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.01	28%	0.275	C	S	.	.			trans	-68.3	153.3	-175.6	-66.1	-164.5	-88.4	0	0	112.7	K609 K645 Y646 E649 N772 M773 P779	K609-M776 WeakPolarHBondContact CE-O 3.33Å; K609-M776 PolarHBondContact NZ-O 2.84Å; K645-M776 HydrophobicContact CB-CE 4.43Å; K645-M776 HydrophobicContact CB-SD 4.01Å; K645-M776 HydrophobicContact CG-CE 4.28Å; K645-M776 HydrophobicContact CG-SD 3.6Å; Y646-M776 WeakPolarHBondContact CA-SD 3.29Å; Y646-M776 HydrophobicContact CD2-CG 4.09Å; Y646-M776 PolarHBondContact N-SD 3.45Å; E649-M776 VanDerWaalsContact OE2-CA 3.27Å; E649-M776 WeakPolarHBondContact OE2-CA 3.15Å; E649-M776 VanDerWaalsContact OE2-CB 3.32Å; E649-M776 WeakPolarHBondContact OE2-CB 3.27Å; N772-M776 WeakPolarHBondContact O-CG 3.25Å; N772-M776 PolarHBondContact O-N 3.02Å; M773-M776 VanDerWaalsContact CA-CE 3.44Å; M773-M776 HydrophobicContact CB-CE 3.83Å; M773-M776 HydrophobicContact CG-CE 3.5Å; M773-M776 VanDerWaalsContact CG-CE 3.5Å; M773-M776 PolarHBondContact O-N 3.47Å; M776-P779 HydrophobicContact CB-CB 4.18Å; M776-P779 HydrophobicContact CE-CB 4.01Å
777	D	86.5	Confident	89.8	Confident	80 Å²	80	56.1 Å²	56.1	43%	0.428	29%	0.286	S	S	.	.	S	Bend	trans	-75.2	-41.8	171.6	-73.3	-26.4	0	0	0	110.3	K609 E649 K736	K609-D777 IonicContact NZ-OD1 3.02Å; E649-D777 PolarHBondContact OE2-N 2.74Å; K736-D777 IonicContact NZ-OD2 3.7Å; K736-D777 PolarHBondContact NZ-OD2 2.87Å
778	H	85.8	Confident	89.7	Confident	128 Å²	128	50.3 Å²	50.3	59%	0.593	26%	0.261	S	S	*	.			trans	-132	81.3	179.3	-61.3	-58.9	0	0	0	112.2	K645 E649 W780	K645-H778 WeakPolarHBondContact CE-O 3.29Å; E649-H778 PolarHBondContact OE1-N 2.82Å; E649-H778 VanDerWaalsContact OE1-N 3.12Å; H778-W780 PolarHBondContact O-N 3.47Å; H778-W780 VanDerWaalsContact O-N 3.12Å
779	P	90	Very high	89.6	Confident	8 Å²	8	45.2 Å²	45.2	5%	0.052	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-2.2	-171.3	29.1	-35.4	0	0	0	115.3	F612 M773 M776 T788	F612-P779 HydrophobicContact CE2-CG 4.05Å; F612-P779 HydrophobicContact CZ-CB 4.11Å; F612-P779 HydrophobicContact CZ-CG 3.82Å; M773-P779 HydrophobicContact CB-CB 4.35Å; M776-P779 HydrophobicContact CB-CB 4.18Å; M776-P779 HydrophobicContact CE-CB 4.01Å; P779-T788 VanDerWaalsContact O-CB 3.31Å; P779-T788 WeakPolarHBondContact O-CB 3Å; P779-T788 WeakPolarHBondContact O-CG2 3.25Å; P779-T788 PolarHBondContact O-OG1 3.33Å
780	W	90.5	Very high	89.4	Confident	111 Å²	111	52.9 Å²	52.9	42%	0.42	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-32.6	-163.4	-49.3	112.7	0	0	0	116.1	F607 F612 H778 P787 T788 M789	F607-W780 HydrophobicContact CB-CH2 3.59Å; F607-W780 HydrophobicContact CB-CZ2 4.38Å; F607-W780 HydrophobicContact CB-CZ3 4.49Å; F607-W780 HydrophobicContact CG-CH2 4.17Å; F612-W780 HydrophobicContact CE2-CH2 4.35Å; F612-W780 AromaticContact CZ-CH2 3.79Å; F612-W780 HydrophobicContact CZ-CH2 3.79Å; F612-W780 HydrophobicContact CZ-CZ2 4.43Å; F612-W780 HydrophobicContact CZ-CZ3 4.1Å; H778-W780 PolarHBondContact O-N 3.47Å; H778-W780 VanDerWaalsContact O-N 3.12Å; W780-P787 WeakPolarHBondContact O-CA 3.47Å; W780-T788 WeakPolarHBondContact CA-OG1 3.39Å; W780-T788 PolarHBondContact O-N 2.91Å; W780-T788 PolarHBondContact O-OG1 3Å; W780-M789 HydrophobicContact CE3-CG 4.05Å; W780-M789 HydrophobicContact CE3-SD 3.8Å; W780-M789 HydrophobicContact CH2-SD 4.31Å; W780-M789 HydrophobicContact CZ3-CE 4.15Å; W780-M789 HydrophobicContact CZ3-CG 4.09Å; W780-M789 HydrophobicContact CZ3-SD 3.35Å; W780-M789 WeakPolarHBondContact CZ3-SD 3.47Å
781	N	90.2	Very high	89.1	Confident	82 Å²	82	57.7 Å²	57.7	44%	0.439	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-136	139.8	-175.4	-69.8	-48	0	0	0	109.5	K645 R786 P787	K645-N781 WeakPolarHBondContact CD-O 3.11Å; K645-N781 VanDerWaalsContact CE-O 3.22Å; K645-N781 WeakPolarHBondContact CE-O 3.44Å; K645-N781 WeakPolarHBondContact CG-O 3.41Å; N781-R786 CarbonylContact C-O 3.6Å; N781-R786 WeakPolarHBondContact CA-O 3.45Å; N781-P787 WeakPolarHBondContact OD1-CA 3.49Å
782	C	87.6	Confident	88.8	Confident	9 Å²	9	59 Å²	59	6%	0.061	30%	0.298	C	S	.	.			trans	-67.6	167.6	168.8	85	0	0	0	0	111	A641 H784 G785 R786	A641-C782 HydrophobicContact CB-CB 4.07Å; C782-H784 PolarHBondContact O-N 2.82Å; C782-H784 PolarHBondContact SG-N 3.22Å; C782-G785 PolarHBondContact O-N 3.46Å; C782-R786 PolarHBondContact N-O 2.82Å; C782-R786 VanDerWaalsContact SG-CB 3.58Å; C782-R786 PolarHBondContact SG-N 3.41Å; C782-R786 VanDerWaalsContact SG-N 3.4Å
783	P	78.2	Confident	88.4	Confident	27 Å²	27	62.5 Å²	62.5	18%	0.175	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-26.2	176.5	-26.3	35.8	0	0	0	114.6	E644 F648 A747	E644-P783 WeakPolarHBondContact OE1-CD 3.36Å; F648-P783 HydrophobicContact CB-CG 3.47Å; F648-P783 VanDerWaalsContact CB-CG 3.47Å; F648-P783 HydrophobicContact CD1-CB 4.3Å; F648-P783 HydrophobicContact CD1-CG 3.57Å; F648-P783 HydrophobicContact CD2-CB 4.05Å; F648-P783 HydrophobicContact CD2-CG 3.59Å; F648-P783 HydrophobicContact CE1-CB 4.43Å; F648-P783 HydrophobicContact CE1-CG 4.17Å; F648-P783 HydrophobicContact CE2-CB 4.19Å; F648-P783 HydrophobicContact CE2-CG 4.19Å; F648-P783 HydrophobicContact CG-CB 4.09Å; F648-P783 HydrophobicContact CG-CG 3.22Å; F648-P783 HydrophobicContact CZ-CB 4.38Å; F648-P783 HydrophobicContact CZ-CG 4.44Å; A747-P783 HydrophobicContact CB-CB 3.84Å
784	H	79.9	Confident	87.9	Confident	115 Å²	115	65.6 Å²	65.6	53%	0.532	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-2.8	178.3	-51.9	102.1	0	0	0	113.9	E644 C782	E644-H784 IonicContact OE1-CE1 3.94Å; E644-H784 PolarHBondContact OE1-CE1 2.83Å; E644-H784 VanDerWaalsContact OE1-CE1 3.26Å; E644-H784 IonicContact OE1-CG 3.1Å; E644-H784 IonicContact OE1-ND1 3.15Å; E644-H784 PolarHBondContact OE1-ND1 2.84Å; E644-H784 IonicContact OE2-ND1 2.75Å; C782-H784 PolarHBondContact O-N 2.82Å; C782-H784 PolarHBondContact SG-N 3.22Å
785	G	81	Confident	87.4	Confident	49 Å²	49	66.7 Å²	66.7	51%	0.505	33%	0.328	S	S	.	.	S	Bend	trans	92.7	2.3	177.4	0	0	0	0	0	115.6	C782	C782-G785 PolarHBondContact O-N 3.46Å
786	R	84.5	Confident	86.6	Confident	105 Å²	105	66.4 Å²	66.4	40%	0.396	32%	0.321	S	S	.	.			trans	-71.3	129.3	175	-173.6	171.4	172.8	160.7	-4.1	109.9	D638 A641 N781 C782 T788	D638-R786 IonicContact OD2-CZ 2.98Å; D638-R786 IonicContact OD2-NE 3.22Å; D638-R786 PolarHBondContact OD2-NE 2.84Å; D638-R786 IonicContact OD2-NH2 3Å; D638-R786 PolarHBondContact OD2-NH2 3.05Å; A641-R786 HydrophobicContact CB-CG 4.34Å; N781-R786 CarbonylContact C-O 3.6Å; N781-R786 WeakPolarHBondContact CA-O 3.45Å; C782-R786 PolarHBondContact N-O 2.82Å; C782-R786 VanDerWaalsContact SG-CB 3.58Å; C782-R786 PolarHBondContact SG-N 3.41Å; C782-R786 VanDerWaalsContact SG-N 3.4Å; R786-T788 PolarHBondContact O-N 3.21Å
787	P	91.6	Very high	85.5	Confident	43 Å²	43	69.7 Å²	69.7	28%	0.279	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-60.1	136.1	174.8	-24.3	34.3	0	0	0	111.3	W780 N781	W780-P787 WeakPolarHBondContact O-CA 3.47Å; N781-P787 WeakPolarHBondContact OD1-CA 3.49Å
788	T	93.6	Very high	84.2	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.006	35%	0.351	C	S	.	.	S	Bend	trans	-84.6	-28.8	177.1	55.4	0	0	0	0	112.1	I637 D638 A641 S642 K645 P779 W780 R786	I637-T788 CarbonylContact C-O 3.54Å; I637-T788 WeakPolarHBondContact CA-O 3.48Å; I637-T788 WeakPolarHBondContact CG2-O 3.46Å; D638-T788 PolarHBondContact N-O 3.35Å; A641-T788 HydrophobicContact CB-CG2 4.33Å; S642-T788 WeakPolarHBondContact OG-CB 3.47Å; S642-T788 PolarHBondContact OG-O 3.17Å; K645-T788 HydrophobicContact CB-CG2 4.33Å; P779-T788 VanDerWaalsContact O-CB 3.31Å; P779-T788 WeakPolarHBondContact O-CB 3Å; P779-T788 WeakPolarHBondContact O-CG2 3.25Å; P779-T788 PolarHBondContact O-OG1 3.33Å; W780-T788 WeakPolarHBondContact CA-OG1 3.39Å; W780-T788 PolarHBondContact O-N 2.91Å; W780-T788 PolarHBondContact O-OG1 3Å; R786-T788 PolarHBondContact O-N 3.21Å
789	M	92.9	Very high	82.7	Confident	20 Å²	20	71.7 Å²	71.7	10%	0.099	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	150.3	-178.7	66.6	-173.2	-71.6	0	0	112	F607 F612 F635 I636 I637 M773 W780	F607-M789 HydrophobicContact CD1-CE 4.13Å; F607-M789 HydrophobicContact CE1-CE 3.75Å; F607-M789 HydrophobicContact CE2-CE 4.18Å; F607-M789 HydrophobicContact CZ-CE 3.78Å; F612-M789 HydrophobicContact CE1-CE 4.02Å; F612-M789 HydrophobicContact CE1-SD 3.42Å; F612-M789 WeakPolarHBondContact CE1-SD 3.4Å; F612-M789 HydrophobicContact CZ-CE 4.49Å; F612-M789 HydrophobicContact CZ-SD 3.8Å; F635-M789 HydrophobicContact CD1-CE 4.17Å; I636-M789 CarbonylContact O-C 3.59Å; I636-M789 VanDerWaalsContact O-CA 3.3Å; I636-M789 WeakPolarHBondContact O-CA 3.32Å; I637-M789 HydrophobicContact CG1-CB 4.14Å; M773-M789 HydrophobicContact CE-CB 4.18Å; M773-M789 HydrophobicContact CE-CG 4.29Å; M773-M789 HydrophobicContact CE-SD 3.85Å; W780-M789 HydrophobicContact CE3-CG 4.05Å; W780-M789 HydrophobicContact CE3-SD 3.8Å; W780-M789 HydrophobicContact CH2-SD 4.31Å; W780-M789 HydrophobicContact CZ3-CE 4.15Å; W780-M789 HydrophobicContact CZ3-CG 4.09Å; W780-M789 HydrophobicContact CZ3-SD 3.35Å; W780-M789 WeakPolarHBondContact CZ3-SD 3.47Å
790	R	91.2	Very high	80.4	Confident	164 Å²	164	82 Å²	82	62%	0.619	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141	150.6	170.9	-69.8	-175.7	173.3	-105.6	2.3	110.2	F635 I636	F635-R790 WeakPolarHBondContact CA-O 3.48Å; I636-R790 HydrophobicContact CG2-CB 3.98Å; I636-R790 PolarHBondContact N-O 3.42Å; I636-R790 PolarHBondContact O-N 3.26Å
791	H	89.6	Confident	79.9	Confident	104 Å²	104	80.5 Å²	80.5	48%	0.481	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	135.1	164.2	-179.5	-103.7	0	0	0	108.7	D633 F635	D633-H791 IonicContact OD1-CD2 3.7Å; D633-H791 IonicContact OD1-CE1 2.77Å; D633-H791 IonicContact OD1-NE2 2.71Å; D633-H791 PolarHBondContact OD1-NE2 2.66Å; F635-H791 HydrophobicContact CD1-CB 4.25Å; F635-H791 HydrophobicContact CE1-CB 3.88Å; F635-H791 AromaticContact CE1-CD2 3.81Å; F635-H791 AromaticContact CZ-CD2 3.79Å
792	L	87.8	Confident	79.4	Confident	90 Å²	90	80.4 Å²	80.4	47%	0.471	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-51.7	-177.3	-176.2	68.4	0	0	0	110.8	I627 L634 I636	I627-L792 HydrophobicContact CD1-CD2 4.4Å; L634-L792 HydrophobicContact CB-CB 4.22Å; L634-L792 HydrophobicContact CB-CD2 4.45Å; L634-L792 WeakPolarHBondContact O-CB 3.45Å; L634-L792 PolarHBondContact O-N 3.49Å; I636-L792 HydrophobicContact CG2-CB 4.48Å; I636-L792 HydrophobicContact CG2-CD1 4.43Å
793	Y	86.3	Confident	78.9	Confident	101 Å²	101	84.4 Å²	84.4	40%	0.396	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	146.6	-173.4	-165.1	-107.3	0	0	0	111.9	L634 L798	L634-Y793 PolarHBondContact N-O 3.45Å; L634-Y793 PolarHBondContact O-N 3.44Å; Y793-L798 HydrophobicContact CD1-CD1 4.06Å; Y793-L798 HydrophobicContact CE1-CD1 3.59Å; Y793-L798 HydrophobicContact CE1-CG 4.01Å
794	H	84.3	Confident	79	Confident	65 Å²	65	87.8 Å²	87.8	30%	0.301	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	123.9	169.4	-171.5	71.1	0	0	0	109.3	Q632 D633 N796 P797	Q632-H794 CarbonylContact O-C 3.56Å; D633-H794 IonicContact OD1-CE1 3.87Å; D633-H794 IonicContact OD1-CG 3.51Å; D633-H794 IonicContact OD1-ND1 2.76Å; D633-H794 PolarHBondContact OD1-ND1 2.91Å; D633-H794 IonicContact OD2-ND1 3.61Å; H794-N796 VanDerWaalsContact C-N 3.34Å; H794-N796 VanDerWaalsContact NE2-CG 3.25Å; H794-N796 PolarHBondContact NE2-ND2 3.04Å; H794-N796 PolarHBondContact O-N 3.34Å; H794-P797 WeakPolarHBondContact O-CD 3.34Å
795	L	80.8	Confident	78.9	Confident	32 Å²	32	86.1 Å²	86.1	17%	0.168	43%	0.429	C	S	.	.	S	Bend	trans	-74.9	-11.4	-169.3	-69.8	170.1	0	0	0	115.1	Q629 Q632 L634 P797 L798	Q629-L795 HydrophobicContact CG-CD1 4.35Å; Q632-L795 VanDerWaalsContact O-CB 3.27Å; Q632-L795 WeakPolarHBondContact O-CB 3.22Å; Q632-L795 WeakPolarHBondContact O-CG 3.16Å; Q632-L795 PolarHBondContact O-N 3.43Å; L634-L795 HydrophobicContact CD1-CD2 3.74Å; L634-L795 HydrophobicContact CD1-CG 4.38Å; L634-L795 HydrophobicContact CD2-CD1 4.23Å; L634-L795 HydrophobicContact CG-CD1 4.22Å; L634-L795 HydrophobicContact CG-CD2 3.94Å; L634-L795 HydrophobicContact CG-CG 4.03Å; L795-P797 VanDerWaalsContact C-CD 3.43Å; L795-L798 HydrophobicContact CD2-CD1 3.96Å; L795-L798 PolarHBondContact O-N 3.37Å; L795-L798 VanDerWaalsContact O-N 3.11Å
796	N	74.2	Confident	78.8	Confident	58 Å²	58	88.5 Å²	88.5	31%	0.31	42%	0.424	S	S	.	.	H	α-helix	trans	-55.2	-42.9	-177.9	-78.5	-10.3	0	0	0	115	Q632 H794 L798 N799 E800	Q632-N796 PolarHBondContact NE2-OD1 3.33Å; Q632-N796 VanDerWaalsContact OE1-CG 3.3Å; Q632-N796 PolarHBondContact OE1-ND2 3.38Å; Q632-N796 PolarHBondContact OE1-OD1 2.9Å; H794-N796 VanDerWaalsContact C-N 3.34Å; H794-N796 VanDerWaalsContact NE2-CG 3.25Å; H794-N796 PolarHBondContact NE2-ND2 3.04Å; H794-N796 PolarHBondContact O-N 3.34Å; N796-L798 PolarHBondContact O-N 3.48Å; N796-L798 VanDerWaalsContact O-N 3.08Å; N796-N799 PolarHBondContact O-N 2.96Å; N796-N799 VanDerWaalsContact O-N 3.1Å; N796-E800 PolarHBondContact O-N 3.15Å
797	P	68.6	Low	78.4	Confident	72 Å²	72	87.4 Å²	87.4	47%	0.468	43%	0.426	S	S	.	.	H	α-helix	trans	-68.6	-6.3	179.9	-14.8	29.7	0	0	0	114.8	H794 L795	H794-P797 WeakPolarHBondContact O-CD 3.34Å; L795-P797 VanDerWaalsContact C-CD 3.43Å
798	L	59.9	Low	77.4	Confident	116 Å²	116	90.8 Å²	90.8	61%	0.607	44%	0.437	S	S	*	.	H	α-helix	trans	-96.6	-14.7	174.9	-75	161	0	0	0	112.8	Y793 L795 N796	Y793-L798 HydrophobicContact CD1-CD1 4.06Å; Y793-L798 HydrophobicContact CE1-CD1 3.59Å; Y793-L798 HydrophobicContact CE1-CG 4.01Å; L795-L798 HydrophobicContact CD2-CD1 3.96Å; L795-L798 PolarHBondContact O-N 3.37Å; L795-L798 VanDerWaalsContact O-N 3.11Å; N796-L798 PolarHBondContact O-N 3.48Å; N796-L798 VanDerWaalsContact O-N 3.08Å
799	N	54.3	Low	76	Confident	133 Å²	133	98.3 Å²	98.3	71%	0.711	47%	0.473	S	S	*	.	H	α-helix	trans	-96.6	-13.5	178.6	-69.7	-28.3	0	0	0	112.6	N796	N796-N799 PolarHBondContact O-N 2.96Å; N796-N799 VanDerWaalsContact O-N 3.1Å
800	E	42.5	Very low	74.5	Confident	224 Å²	224	105.4 Å²	105.4	100%	1.047	51%	0.507	S	S	*	.			trans	-83.4	0	161.2	-66.9	-175.9	170.4	0	0	109	N796	N796-E800 PolarHBondContact O-N 3.15Å

Retrieved 800 of 800 residues in 1001.5 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).