A0A077ZDH4_TRITR Loading...

CAP and WH1 and PBD and WH2 domain containing pro tein

AlphaFold DB , UniProt , Accession A0A077ZDH4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,067 aa.

						>A0A077ZDH4_TRITR|A0A077ZDH4
MKASYSSMMGPLLFGLLATYVAEIAGLRGVPVELSSQDRDALFQGLNDIRANLSSSNMECLTKWSTELEAEAQKIASECTAKEEKGSHGVAIIYHTPTSSSSVPTISEYLNIIKEYEAALQNDGCTCAQGQLVPLYRMYHEGKKSMVLTSNKWKKEQLLSANYKDLGTFGYVNSQEDKNCAALKPLHEYSLQNDLDNVYLTDKISMQLYGQRGYVYRGTVGYVVDDEGFCSSSVSAYNFLVSDVRHFYTSSQQEAEAVAARKGNYSSFWYQGIPFALWWKIGIVKNMLSILFALLLAHIAGAAGTQSRIVPLSEEDREVILTEVNKLRGSVGSGNMECLIWNSGIESEAQKLAHKCSIIEEPERYGVGVVYTSNEVASVSNYVDLVAESSSALSINTSQGCPCVAGKETQCNNYKQFTYWNAGQIGCAVSVCSSPPNVTMNVLTCLFARRINGGRCPYALGNECEFCSADFGCFDGLCCKPTEPDQKKTCGNKPEQLVPLYRLYHQPKKRMVLTTSVARRAELSKLGYSDFGTLGYISPKMQSQCSHLKALVELRLPSSDDYVYVVDEYSLKTYLQFGYVNVGVVGYGVDDESLCSIVQLFAAEPPSRDQWTKKHVGVVCLVKDYSAHGYFLRMYDITNGFLLWEQFMFDEFYSTRLCDELIAFEGDNCVYGLNFSSTDEATEFKRALDLKVQALQKRIARKVAQSQVSAASTYGRSTAYTPRFTPVTNMGVVMPSNCGFITKTKQKGRKHKKRITKEEIGEPTNFEHRVHVGWDPETGYAGHAVTDENEPDIQAILRMVNLPTDFKEDKKAVYSVINQFGGVEAVMRDLEHEQRVKATLNAPSPPPLPSRSHGRTREERQPKPLQPVATQHAVQKNVSRRAEWAPTPPPPPPPPSSSLRMSPPPTYVEATSYVATTVRAENANDQSAVSCAPPPAPPPPPPMVMFQAEETTPTVQASDARADLMAEIRRGKTLKRVDVGSTPPAATKKEIQSDRAELMTQIAQGVNLKPVDKAQPKAEPIPAAEELHGIAGALARALLERRSQMTAADESSEEEDDEEDDDDEWDD
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.2	Very low	32.2	Very low	234 Å²	234	142.9 Å²	142.9	100%	1.153	80%	0.802	S	S	*	*				0	163	0	-70.4	-175.4	178.9	0	0	109.4
2	K	25.6	Very low	32.9	Very low	203 Å²	203	144.1 Å²	144.1	88%	0.883	80%	0.803	S	S	*	*			trans	-78.3	121.7	173.3	-73.4	-177.9	176.8	178	0	110.9
3	A	32.6	Very low	33.7	Very low	98 Å²	98	139.7 Å²	139.7	81%	0.81	78%	0.777	S	S	*	*			trans	-138.3	124.5	161.3	0	0	0	0	0	108.1
4	S	28.8	Very low	34.5	Very low	119 Å²	119	139.4 Å²	139.4	83%	0.832	76%	0.764	S	S	*	*			trans	-92.5	105.4	-176	178.5	0	0	0	0	110.3
5	Y	30.8	Very low	35.3	Very low	237 Å²	237	132.8 Å²	132.8	93%	0.929	74%	0.74	S	S	*	*			trans	-135.6	142	159.4	-103.1	-82	0	0	0	110.9
6	S	34.4	Very low	36	Very low	110 Å²	110	132.4 Å²	132.4	77%	0.769	74%	0.736	S	S	*	*			trans	-104.5	133.4	-166.3	-176.6	0	0	0	0	112.1
7	S	30	Very low	36.6	Very low	100 Å²	100	131.2 Å²	131.2	70%	0.699	73%	0.727	S	S	*	*	S	Bend	trans	67.9	153.7	158.4	-153	0	0	0	0	118.9
8	M	33.1	Very low	37.4	Very low	177 Å²	177	127.3 Å²	127.3	87%	0.872	71%	0.714	S	S	*	*			trans	71.6	17.6	163.5	-48.4	-163.8	72.8	0	0	120.5
9	M	33.6	Very low	38	Very low	131 Å²	131	123.4 Å²	123.4	65%	0.645	69%	0.694	S	S	*	*			trans	-126.1	132.2	168.3	-70.9	-60.9	-164.8	0	0	112.9	L13	M9-L13 HydrophobicContact CE-CD2 3.88Å; M9-L13 HydrophobicContact CG-CD2 4.25Å; M9-L13 HydrophobicContact SD-CD2 3.75Å
10	G	35.9	Very low	38.5	Very low	44 Å²	44	125.7 Å²	125.7	45%	0.454	69%	0.692	S	S	.	*			trans	-82.4	168.8	-178.2	0	0	0	0	0	114.6	L12 L13	G10-L12 VanDerWaalsContact C-N 3.32Å; G10-L12 PolarHBondContact O-N 3.2Å; G10-L13 PolarHBondContact O-N 3.41Å; G10-L13 VanDerWaalsContact O-N 3.12Å
11	P	42.1	Very low	39.2	Very low	119 Å²	119	123.9 Å²	123.9	77%	0.773	69%	0.685	S	S	*	*	H	α-helix	trans	-60.2	-33.9	-167.4	21.3	-33	0	0	0	114.6	L13 F14 G15	P11-L13 PolarHBondContact O-N 3.19Å; P11-F14 PolarHBondContact O-N 3.24Å; P11-F14 VanDerWaalsContact O-N 3.09Å; P11-G15 PolarHBondContact O-N 3.12Å
12	L	41.2	Very low	40.3	Very low	157 Å²	157	114.1 Å²	114.1	82%	0.822	64%	0.641	S	S	*	*	H	α-helix	trans	-57.2	-32.5	177.8	-79	162.3	0	0	0	113.5	G10	G10-L12 VanDerWaalsContact C-N 3.32Å; G10-L12 PolarHBondContact O-N 3.2Å
13	L	42.7	Very low	41.5	Very low	87 Å²	87	110.8 Å²	110.8	46%	0.455	63%	0.629	S	S	.	*	H	α-helix	trans	-77	-26.5	179	-122.7	85.1	0	0	0	113.2	M9 G10 P11 L17	M9-L13 HydrophobicContact CE-CD2 3.88Å; M9-L13 HydrophobicContact CG-CD2 4.25Å; M9-L13 HydrophobicContact SD-CD2 3.75Å; G10-L13 PolarHBondContact O-N 3.41Å; G10-L13 VanDerWaalsContact O-N 3.12Å; P11-L13 PolarHBondContact O-N 3.19Å; L13-L17 PolarHBondContact O-N 2.77Å
14	F	45.2	Very low	42.4	Very low	136 Å²	136	112 Å²	112	60%	0.596	62%	0.62	S	S	*	*	H	α-helix	trans	-73.2	-33.3	177.9	-89.1	-86.5	0	0	0	112.2	P11 L17 A18	P11-F14 PolarHBondContact O-N 3.24Å; P11-F14 VanDerWaalsContact O-N 3.09Å; F14-L17 PolarHBondContact O-N 2.7Å; F14-A18 WeakPolarHBondContact O-CB 3.42Å; F14-A18 PolarHBondContact O-N 3.46Å
15	G	46.4	Very low	43.6	Very low	40 Å²	40	109.1 Å²	109.1	41%	0.412	60%	0.604	S	S	.	*	H	α-helix	trans	-58	-50.3	174.1	0	0	0	0	0	112.4	P11 L17 A18 T19	P11-G15 PolarHBondContact O-N 3.12Å; G15-L17 VanDerWaalsContact C-N 3.26Å; G15-L17 PolarHBondContact O-N 3.41Å; G15-A18 PolarHBondContact O-N 3.43Å; G15-A18 VanDerWaalsContact O-N 3.16Å; G15-T19 WeakPolarHBondContact O-CG2 3.47Å; G15-T19 PolarHBondContact O-N 3.29Å; G15-T19 PolarHBondContact O-OG1 3.42Å
16	L	46.6	Very low	44.7	Very low	127 Å²	127	100.9 Å²	100.9	67%	0.665	59%	0.591	S	S	*	*	H	α-helix	trans	-63.5	-27.4	178.6	-73.2	166	0	0	0	113.9	T19	L16-T19 PolarHBondContact O-OG1 3.29Å
17	L	46.7	Very low	45.6	Very low	112 Å²	112	100.6 Å²	100.6	59%	0.586	58%	0.581	S	S	*	*	H	α-helix	trans	-80.8	-33.6	174.3	-102.2	158	0	0	0	112.6	L13 F14 G15 V21	L13-L17 PolarHBondContact O-N 2.77Å; F14-L17 PolarHBondContact O-N 2.7Å; G15-L17 VanDerWaalsContact C-N 3.26Å; G15-L17 PolarHBondContact O-N 3.41Å; L17-V21 WeakPolarHBondContact O-CG2 3.4Å; L17-V21 PolarHBondContact O-N 3.21Å
18	A	50.7	Low	47	Very low	61 Å²	61	106.9 Å²	106.9	50%	0.504	59%	0.589	S	S	.	*	H	α-helix	trans	-70	-42.5	176.9	0	0	0	0	0	112.1	F14 G15 V21 A22	F14-A18 WeakPolarHBondContact O-CB 3.42Å; F14-A18 PolarHBondContact O-N 3.46Å; G15-A18 PolarHBondContact O-N 3.43Å; G15-A18 VanDerWaalsContact O-N 3.16Å; A18-V21 PolarHBondContact O-N 3.09Å; A18-A22 PolarHBondContact O-N 3.27Å
19	T	48.2	Very low	48.5	Very low	53 Å²	53	99.4 Å²	99.4	33%	0.325	56%	0.558	S	S	.	*	H	α-helix	trans	-64	-42.3	179.4	52.8	0	0	0	0	112.5	G15 L16 V21 A22 E23 A81	G15-T19 WeakPolarHBondContact O-CG2 3.47Å; G15-T19 PolarHBondContact O-N 3.29Å; G15-T19 PolarHBondContact O-OG1 3.42Å; L16-T19 PolarHBondContact O-OG1 3.29Å; T19-V21 VanDerWaalsContact C-N 3.26Å; T19-V21 PolarHBondContact O-N 2.94Å; T19-A22 PolarHBondContact O-N 3.23Å; T19-A22 VanDerWaalsContact O-N 3.13Å; T19-E23 PolarHBondContact O-N 3.4Å; T19-A81 HydrophobicContact CG2-CB 3.48Å; T19-A81 VanDerWaalsContact CG2-CB 3.48Å
20	Y	49.1	Very low	50.2	Low	168 Å²	168	99.3 Å²	99.3	66%	0.659	56%	0.564	S	S	*	*	H	α-helix	trans	-62.9	-31.3	177.3	-163.7	-100.7	0	0	0	112.9	I24	Y20-I24 HydrophobicContact CD1-CD1 3.95Å; Y20-I24 HydrophobicContact CE1-CD1 3.62Å; Y20-I24 WeakPolarHBondContact O-CD1 3.21Å; Y20-I24 WeakPolarHBondContact O-CG1 3.46Å
21	V	52.3	Low	51.7	Low	88 Å²	88	100.7 Å²	100.7	53%	0.533	57%	0.565	S	S	.	*	H	α-helix	trans	-77	-35	174.2	174	0	0	0	0	111.6	L17 A18 T19 I24 A25	L17-V21 WeakPolarHBondContact O-CG2 3.4Å; L17-V21 PolarHBondContact O-N 3.21Å; A18-V21 PolarHBondContact O-N 3.09Å; T19-V21 VanDerWaalsContact C-N 3.26Å; T19-V21 PolarHBondContact O-N 2.94Å; V21-I24 PolarHBondContact O-N 3.28Å; V21-A25 WeakPolarHBondContact O-CB 3.37Å; V21-A25 PolarHBondContact O-N 3.17Å
22	A	50.3	Low	53.4	Low	29 Å²	29	100 Å²	100	24%	0.24	56%	0.559	C	S	.	*	H	α-helix	trans	-64.4	-48.1	-178.9	0	0	0	0	0	112.9	A18 T19 I24 A25 L27	A18-A22 PolarHBondContact O-N 3.27Å; T19-A22 PolarHBondContact O-N 3.23Å; T19-A22 VanDerWaalsContact O-N 3.13Å; A22-I24 PolarHBondContact O-N 3.31Å; A22-A25 PolarHBondContact O-N 3.02Å; A22-L27 HydrophobicContact CB-CD1 4.12Å
23	E	50.1	Low	55.2	Low	134 Å²	134	100.7 Å²	100.7	63%	0.626	56%	0.557	S	S	*	*	H	α-helix	trans	-64.9	-24.9	179.2	-71	-164.3	129.1	0	0	113.3	T19 K82	T19-E23 PolarHBondContact O-N 3.4Å; E23-K82 WeakPolarHBondContact OE1-CE 3.44Å; E23-K82 IonicContact OE1-NZ 2.73Å; E23-K82 PolarHBondContact OE1-NZ 2.95Å
24	I	52.4	Low	57.2	Low	122 Å²	122	99 Å²	99	63%	0.626	55%	0.549	S	S	*	.	H	α-helix	trans	-88	-28.8	178.9	-62.8	175.5	0	0	0	112	Y20 V21 A22	Y20-I24 HydrophobicContact CD1-CD1 3.95Å; Y20-I24 HydrophobicContact CE1-CD1 3.62Å; Y20-I24 WeakPolarHBondContact O-CD1 3.21Å; Y20-I24 WeakPolarHBondContact O-CG1 3.46Å; V21-I24 PolarHBondContact O-N 3.28Å; A22-I24 PolarHBondContact O-N 3.31Å
25	A	54.5	Low	59.3	Low	60 Å²	60	95.1 Å²	95.1	50%	0.496	54%	0.538	S	S	.	.	H	α-helix	trans	-88.2	-9.4	-170.3	0	0	0	0	0	115.5	V21 A22 L27	V21-A25 WeakPolarHBondContact O-CB 3.37Å; V21-A25 PolarHBondContact O-N 3.17Å; A22-A25 PolarHBondContact O-N 3.02Å; A25-L27 VanDerWaalsContact C-N 3.34Å; A25-L27 HydrophobicContact CB-CD2 4.45Å; A25-L27 HydrophobicContact CB-CG 4.26Å; A25-L27 PolarHBondContact O-N 3.23Å
26	G	52.5	Low	61.2	Low	64 Å²	64	96.7 Å²	96.7	66%	0.66	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	38.2	177.1	0	0	0	0	0	113.9
27	L	54.6	Low	63.2	Low	104 Å²	104	98 Å²	98	55%	0.545	55%	0.546	S	S	.	.			trans	-59.3	136.9	-179.8	-63.1	172.8	0	0	0	110.9	A22 A25 C79	A22-L27 HydrophobicContact CB-CD1 4.12Å; A25-L27 VanDerWaalsContact C-N 3.34Å; A25-L27 HydrophobicContact CB-CD2 4.45Å; A25-L27 HydrophobicContact CB-CG 4.26Å; A25-L27 PolarHBondContact O-N 3.23Å; L27-C79 HydrophobicContact CB-CB 4.25Å
28	R	57.8	Low	65.2	Low	231 Å²	231	95.3 Å²	95.3	87%	0.872	53%	0.532	S	S	*	.			trans	-112.1	127.7	169.5	-67.2	-177.9	177.2	-175	-2.8	108.6
29	G	64.6	Low	67.1	Low	21 Å²	21	95.9 Å²	95.9	22%	0.216	52%	0.521	C	S	.	.			trans	-67.6	135.7	170.1	0	0	0	0	0	110.6	S77 C79	G29-S77 WeakPolarHBondContact CA-O 3.39Å; G29-S77 PolarHBondContact N-O 3.31Å; G29-C79 WeakPolarHBondContact CA-SG 3.21Å; G29-C79 PolarHBondContact N-SG 3.5Å; G29-C79 VanDerWaalsContact N-SG 3.43Å
30	V	69.8	Low	69	Low	129 Å²	129	98 Å²	98	78%	0.782	53%	0.53	S	S	*	.			trans	-96.7	107.6	161.3	178.6	0	0	0	0	105.6
31	P	68.9	Low	71	Confident	72 Å²	72	91.9 Å²	91.9	47%	0.468	51%	0.514	S	S	.	.			trans	-65.3	141.5	178.1	27.8	-33.8	0	0	0	109.8	Q73	P31-Q73 HydrophobicContact CB-CG 3.78Å
32	V	77.5	Confident	72.8	Confident	106 Å²	106	89 Å²	89	64%	0.642	50%	0.496	S	S	*	.			trans	-114.8	126	175.5	-180	0	0	0	0	107.2
33	E	79.2	Confident	74.6	Confident	170 Å²	170	90 Å²	90	79%	0.794	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-72.2	134.4	174.1	-64.9	-178.7	166.5	0	0	109.9
34	L	83.8	Confident	76.5	Confident	52 Å²	52	89.6 Å²	89.6	27%	0.272	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-81.5	129.1	175.4	-63.7	169.9	0	0	0	109.3	D38 R39 L42 W64 I106	L34-D38 HydrophobicContact CB-CB 4.18Å; L34-D38 HydrophobicContact CD2-CB 4.01Å; L34-R39 HydrophobicContact CB-CG 3.72Å; L34-R39 HydrophobicContact CD1-CG 4.15Å; L34-L42 HydrophobicContact CD1-CD1 3.92Å; L34-L42 HydrophobicContact CD2-CD1 4.15Å; L34-W64 HydrophobicContact CD1-CH2 3.91Å; L34-W64 HydrophobicContact CD1-CZ2 3.76Å; L34-I106 HydrophobicContact CD2-CD1 4.1Å
35	S	88.6	Confident	78.3	Confident	54 Å²	54	84.1 Å²	84.1	38%	0.378	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-69	167.3	170	77.2	0	0	0	0	110.7	Q37 D38 R39	S35-Q37 PolarHBondContact O-N 3.04Å; S35-Q37 PolarHBondContact OG-N 3.3Å; S35-D38 WeakPolarHBondContact CB-OD2 3.49Å; S35-D38 PolarHBondContact N-OD2 3.34Å; S35-D38 PolarHBondContact O-N 3.28Å; S35-D38 VanDerWaalsContact O-N 3.15Å; S35-D38 VanDerWaalsContact OG-CG 3.29Å; S35-D38 PolarHBondContact OG-N 3.05Å; S35-D38 VanDerWaalsContact OG-N 3.16Å; S35-D38 PolarHBondContact OG-OD2 3.47Å; S35-R39 PolarHBondContact O-N 3.25Å
36	S	86.8	Confident	80	Confident	73 Å²	73	83.8 Å²	83.8	51%	0.51	46%	0.456	S	S	.	.	H	α-helix	trans	-54.2	-44.7	171.5	-160.8	0	0	0	0	110.9	D38 R39 D40	S36-D38 VanDerWaalsContact C-N 3.31Å; S36-D38 PolarHBondContact O-N 3.16Å; S36-R39 PolarHBondContact O-N 3.13Å; S36-R39 VanDerWaalsContact O-N 3.15Å; S36-D40 WeakPolarHBondContact O-CB 3.4Å; S36-D40 PolarHBondContact O-N 3.41Å; S36-D40 PolarHBondContact OG-OD2 3.32Å
37	Q	88.7	Confident	81.7	Confident	155 Å²	155	82.1 Å²	82.1	72%	0.724	43%	0.432	S	S	*	.	H	α-helix	trans	-62.9	-34.6	-180	-173.8	175.4	-1.8	0	0	112.8	S35 A41	S35-Q37 PolarHBondContact O-N 3.04Å; S35-Q37 PolarHBondContact OG-N 3.3Å; Q37-A41 WeakPolarHBondContact O-CB 3.48Å; Q37-A41 PolarHBondContact O-N 3.29Å
38	D	89.7	Confident	83.3	Confident	55 Å²	55	81 Å²	81	29%	0.294	43%	0.427	S	S	.	.	H	α-helix	trans	-70	-40.2	175.4	-61.6	-60.9	0	0	0	111.7	L34 S35 S36 L42 I106	L34-D38 HydrophobicContact CB-CB 4.18Å; L34-D38 HydrophobicContact CD2-CB 4.01Å; S35-D38 WeakPolarHBondContact CB-OD2 3.49Å; S35-D38 PolarHBondContact N-OD2 3.34Å; S35-D38 PolarHBondContact O-N 3.28Å; S35-D38 VanDerWaalsContact O-N 3.15Å; S35-D38 VanDerWaalsContact OG-CG 3.29Å; S35-D38 PolarHBondContact OG-N 3.05Å; S35-D38 VanDerWaalsContact OG-N 3.16Å; S35-D38 PolarHBondContact OG-OD2 3.47Å; S36-D38 VanDerWaalsContact C-N 3.31Å; S36-D38 PolarHBondContact O-N 3.16Å; D38-L42 WeakPolarHBondContact O-CB 3.48Å; D38-L42 WeakPolarHBondContact O-CG 3.47Å; D38-L42 PolarHBondContact O-N 3.27Å; D38-I106 HydrophobicContact CB-CD1 4.19Å; D38-I106 HydrophobicContact CB-CG1 3.84Å; D38-I106 WeakPolarHBondContact OD1-CG1 3.43Å
39	R	89.9	Confident	84.7	Confident	73 Å²	73	70.6 Å²	70.6	28%	0.275	39%	0.389	S	S	.	.	H	α-helix	trans	-66.4	-45.9	175.3	-67.4	-170.3	-75	-143.9	-1.7	111.7	L34 S35 S36 A41 L42 F43 W64 E69	L34-R39 HydrophobicContact CB-CG 3.72Å; L34-R39 HydrophobicContact CD1-CG 4.15Å; S35-R39 PolarHBondContact O-N 3.25Å; S36-R39 PolarHBondContact O-N 3.13Å; S36-R39 VanDerWaalsContact O-N 3.15Å; R39-A41 VanDerWaalsContact C-N 3.33Å; R39-A41 PolarHBondContact O-N 3.02Å; R39-L42 PolarHBondContact O-N 3.11Å; R39-F43 WeakPolarHBondContact O-CB 3.29Å; R39-F43 PolarHBondContact O-N 3.23Å; R39-W64 HydrophobicContact CB-CD2 4.12Å; R39-W64 HydrophobicContact CB-CE3 4.08Å; R39-W64 HydrophobicContact CB-CH2 4.31Å; R39-W64 HydrophobicContact CB-CZ2 4.33Å; R39-W64 HydrophobicContact CB-CZ3 4.18Å; R39-W64 VanDerWaalsContact CD-CE2 3.4Å; R39-W64 VanDerWaalsContact CD-NE1 3.31Å; R39-W64 HydrophobicContact CG-CD2 4.16Å; R39-W64 HydrophobicContact CG-CE3 4.42Å; R39-W64 HydrophobicContact CG-CH2 3.97Å; R39-W64 HydrophobicContact CG-CZ2 3.64Å; R39-W64 HydrophobicContact CG-CZ3 4.34Å; R39-E69 IonicContact CZ-OE1 2.71Å; R39-E69 IonicContact CZ-OE2 3.46Å; R39-E69 IonicContact NH1-OE1 2.69Å; R39-E69 PolarHBondContact NH1-OE1 2.93Å; R39-E69 IonicContact NH1-OE2 3.57Å; R39-E69 PolarHBondContact NH1-OE2 3.04Å
40	D	88.5	Confident	85.6	Confident	97 Å²	97	73.4 Å²	73.4	52%	0.519	39%	0.392	S	S	.	.	H	α-helix	trans	-59.6	-44.6	176.1	-63.4	-37.8	0	0	0	110.5	S36 F43 Q44	S36-D40 WeakPolarHBondContact O-CB 3.4Å; S36-D40 PolarHBondContact O-N 3.41Å; S36-D40 PolarHBondContact OG-OD2 3.32Å; D40-F43 PolarHBondContact O-N 3.17Å; D40-Q44 VanDerWaalsContact O-CB 3.3Å; D40-Q44 WeakPolarHBondContact O-CB 3.38Å; D40-Q44 PolarHBondContact O-N 3.38Å
41	A	90.2	Very high	86.2	Confident	40 Å²	40	70.6 Å²	70.6	33%	0.331	38%	0.383	S	S	.	.	H	α-helix	trans	-67.7	-41.2	177.5	0	0	0	0	0	113.5	Q37 R39 G45 I106	Q37-A41 WeakPolarHBondContact O-CB 3.48Å; Q37-A41 PolarHBondContact O-N 3.29Å; R39-A41 VanDerWaalsContact C-N 3.33Å; R39-A41 PolarHBondContact O-N 3.02Å; A41-G45 PolarHBondContact O-N 3.17Å; A41-I106 HydrophobicContact CB-CG2 3.99Å
42	L	90.5	Very high	86.8	Confident	28 Å²	28	72.4 Å²	72.4	15%	0.147	39%	0.389	C	S	.	.	H	α-helix	trans	-62.3	-48.9	172.8	-81.9	171.1	0	0	0	111.1	L34 D38 R39 G45 L46 W64 I106	L34-L42 HydrophobicContact CD1-CD1 3.92Å; L34-L42 HydrophobicContact CD2-CD1 4.15Å; D38-L42 WeakPolarHBondContact O-CB 3.48Å; D38-L42 WeakPolarHBondContact O-CG 3.47Å; D38-L42 PolarHBondContact O-N 3.27Å; R39-L42 PolarHBondContact O-N 3.11Å; L42-G45 PolarHBondContact O-N 3.46Å; L42-L46 VanDerWaalsContact O-CB 3.25Å; L42-L46 WeakPolarHBondContact O-CB 3.32Å; L42-L46 WeakPolarHBondContact O-CG 3.17Å; L42-L46 PolarHBondContact O-N 3.35Å; L42-W64 HydrophobicContact CB-CH2 4.35Å; L42-W64 HydrophobicContact CB-CZ3 3.99Å; L42-W64 HydrophobicContact CD1-CH2 3.9Å; L42-W64 HydrophobicContact CD1-CZ3 4.39Å; L42-I106 HydrophobicContact CB-CG2 4.49Å; L42-I106 HydrophobicContact CD1-CD1 3.99Å; L42-I106 HydrophobicContact CD2-CD1 4.25Å; L42-I106 HydrophobicContact CD2-CG2 3.76Å; L42-I106 HydrophobicContact CG-CD1 3.98Å; L42-I106 HydrophobicContact CG-CG1 4.49Å; L42-I106 HydrophobicContact CG-CG2 3.67Å
43	F	89.1	Confident	86.7	Confident	50 Å²	50	70 Å²	70	22%	0.219	37%	0.372	C	S	.	.	H	α-helix	trans	-66.1	-44.6	-174.8	-170.1	-97.6	0	0	0	112	R39 D40 N47 L61 W64	R39-F43 WeakPolarHBondContact O-CB 3.29Å; R39-F43 PolarHBondContact O-N 3.23Å; D40-F43 PolarHBondContact O-N 3.17Å; F43-N47 WeakPolarHBondContact O-CB 3.4Å; F43-N47 PolarHBondContact O-N 3.49Å; F43-N47 VanDerWaalsContact O-N 3.15Å; F43-N47 PolarHBondContact O-ND2 3.15Å; F43-L61 HydrophobicContact CD2-CB 4.29Å; F43-L61 HydrophobicContact CE2-CB 3.68Å; F43-L61 VanDerWaalsContact CZ-C 3.44Å; F43-L61 HydrophobicContact CZ-CB 4.02Å; F43-L61 WeakPolarHBondContact CZ-O 3.47Å; F43-W64 HydrophobicContact CB-CE3 4.16Å; F43-W64 HydrophobicContact CB-CZ3 4.48Å; F43-W64 HydrophobicContact CD2-CE3 4.1Å
44	Q	89.2	Confident	86.1	Confident	126 Å²	126	66.8 Å²	66.8	59%	0.589	37%	0.369	S	S	*	.	H	α-helix	trans	-64.4	-51.1	172	-176.2	175.6	-4.2	0	0	111	D40 L46 N47 D48	D40-Q44 VanDerWaalsContact O-CB 3.3Å; D40-Q44 WeakPolarHBondContact O-CB 3.38Å; D40-Q44 PolarHBondContact O-N 3.38Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.11Å; Q44-N47 CarbonylContact O-C 3.5Å; Q44-N47 PolarHBondContact O-N 3.45Å; Q44-D48 PolarHBondContact O-N 3.3Å
45	G	90.4	Very high	85.3	Confident	7 Å²	7	65.9 Å²	65.9	7%	0.072	37%	0.366	C	S	.	.	H	α-helix	trans	-62.4	-34.1	-176.7	0	0	0	0	0	114	A41 L42 I49	A41-G45 PolarHBondContact O-N 3.17Å; L42-G45 PolarHBondContact O-N 3.46Å; G45-I49 WeakPolarHBondContact O-CD1 3.1Å; G45-I49 WeakPolarHBondContact O-CG1 3.48Å; G45-I49 PolarHBondContact O-N 2.87Å; G45-I49 VanDerWaalsContact O-N 3.08Å
46	L	89.8	Confident	84.1	Confident	52 Å²	52	66.7 Å²	66.7	27%	0.272	37%	0.372	S	S	.	.	H	α-helix	trans	-70.1	-40	172.3	-73.4	169.8	0	0	0	111.8	L42 Q44 I49 R50 L61 L110 I113	L42-L46 VanDerWaalsContact O-CB 3.25Å; L42-L46 WeakPolarHBondContact O-CB 3.32Å; L42-L46 WeakPolarHBondContact O-CG 3.17Å; L42-L46 PolarHBondContact O-N 3.35Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.11Å; L46-I49 PolarHBondContact O-N 3.06Å; L46-R50 WeakPolarHBondContact O-CB 3.4Å; L46-R50 VanDerWaalsContact O-CG 3.23Å; L46-R50 WeakPolarHBondContact O-CG 3.47Å; L46-R50 PolarHBondContact O-N 3.12Å; L46-L61 HydrophobicContact CB-CD1 3.96Å; L46-L61 HydrophobicContact CD1-CD1 4.33Å; L46-L110 HydrophobicContact CG-CD2 4.31Å; L46-I113 HydrophobicContact CD2-CD1 3.77Å
47	N	88.8	Confident	83.1	Confident	30 Å²	30	67 Å²	67	16%	0.16	37%	0.368	C	S	.	.	H	α-helix	trans	-66.6	-37.7	174.1	-84.8	-28.4	0	0	0	112.3	F43 Q44 R50 A51 L61	F43-N47 WeakPolarHBondContact O-CB 3.4Å; F43-N47 PolarHBondContact O-N 3.49Å; F43-N47 VanDerWaalsContact O-N 3.15Å; F43-N47 PolarHBondContact O-ND2 3.15Å; Q44-N47 CarbonylContact O-C 3.5Å; Q44-N47 PolarHBondContact O-N 3.45Å; N47-R50 PolarHBondContact O-N 3.25Å; N47-A51 WeakPolarHBondContact O-CB 3.35Å; N47-A51 PolarHBondContact O-N 3.14Å; N47-L61 PolarHBondContact ND2-O 3.39Å; N47-L61 WeakPolarHBondContact OD1-CB 3.35Å; N47-L61 PolarHBondContact OD1-N 2.96Å
48	D	88.1	Confident	82.5	Confident	79 Å²	79	62.7 Å²	62.7	42%	0.422	35%	0.349	S	S	.	.	H	α-helix	trans	-61.6	-43.4	172.7	-68.7	-22.1	0	0	0	111.3	Q44 A51 N52	Q44-D48 PolarHBondContact O-N 3.3Å; D48-A51 PolarHBondContact O-N 3.02Å; D48-N52 VanDerWaalsContact O-CG 3.27Å; D48-N52 PolarHBondContact O-N 3.16Å; D48-N52 PolarHBondContact O-ND2 3Å
49	I	85.7	Confident	81.8	Confident	14 Å²	14	67.5 Å²	67.5	7%	0.072	37%	0.369	C	S	.	.	H	α-helix	trans	-63.5	-47.1	174.9	-68.4	163.6	0	0	0	110.6	G45 L46 A51 N52 L53 L110 I113 K114	G45-I49 WeakPolarHBondContact O-CD1 3.1Å; G45-I49 WeakPolarHBondContact O-CG1 3.48Å; G45-I49 PolarHBondContact O-N 2.87Å; G45-I49 VanDerWaalsContact O-N 3.08Å; L46-I49 PolarHBondContact O-N 3.06Å; I49-A51 VanDerWaalsContact C-N 3.31Å; I49-A51 PolarHBondContact O-N 3.43Å; I49-N52 PolarHBondContact O-N 3.43Å; I49-L53 WeakPolarHBondContact O-CG 3.44Å; I49-L53 PolarHBondContact O-N 3.31Å; I49-L110 HydrophobicContact CD1-CD2 4.08Å; I49-I113 HydrophobicContact CD1-CB 4.08Å; I49-I113 HydrophobicContact CD1-CG2 3.86Å; I49-I113 HydrophobicContact CG2-CG2 4.3Å; I49-K114 HydrophobicContact CD1-CD 4.49Å; I49-K114 HydrophobicContact CD1-CG 3.91Å; I49-K114 HydrophobicContact CG1-CD 4.41Å; I49-K114 HydrophobicContact CG1-CG 3.87Å
50	R	85.6	Confident	81.3	Confident	79 Å²	79	68.4 Å²	68.4	30%	0.298	39%	0.386	S	S	.	.	H	α-helix	trans	-57.2	-42.1	176.5	-74.4	171.5	78.2	83.6	-3.5	112.1	L46 N47 M58 E59	L46-R50 WeakPolarHBondContact O-CB 3.4Å; L46-R50 VanDerWaalsContact O-CG 3.23Å; L46-R50 WeakPolarHBondContact O-CG 3.47Å; L46-R50 PolarHBondContact O-N 3.12Å; N47-R50 PolarHBondContact O-N 3.25Å; R50-M58 HydrophobicContact CB-CG 3.75Å; R50-M58 HydrophobicContact CB-SD 4.04Å; R50-M58 HydrophobicContact CG-CG 4.32Å; R50-M58 HydrophobicContact CG-SD 3.96Å; R50-E59 VanDerWaalsContact CZ-O 3.26Å; R50-E59 PolarHBondContact NE-O 3.42Å; R50-E59 PolarHBondContact NH2-O 3.43Å
51	A	81.6	Confident	81.3	Confident	71 Å²	71	66.8 Å²	66.8	59%	0.587	38%	0.377	S	S	*	.	H	α-helix	trans	-65.5	-45.1	177.2	0	0	0	0	0	112.2	N47 D48 I49 L53 S54	N47-A51 WeakPolarHBondContact O-CB 3.35Å; N47-A51 PolarHBondContact O-N 3.14Å; D48-A51 PolarHBondContact O-N 3.02Å; I49-A51 VanDerWaalsContact C-N 3.31Å; I49-A51 PolarHBondContact O-N 3.43Å; A51-L53 VanDerWaalsContact C-N 3.29Å; A51-L53 PolarHBondContact O-N 2.92Å; A51-S54 PolarHBondContact O-N 2.68Å; A51-S54 VanDerWaalsContact O-N 3.1Å
52	N	82.1	Confident	81.1	Confident	109 Å²	109	71.3 Å²	71.3	58%	0.583	40%	0.4	S	S	*	.	H	α-helix	trans	-61.9	-34.4	-179.8	-72.9	-40.7	0	0	0	112.9	D48 I49 S54	D48-N52 VanDerWaalsContact O-CG 3.27Å; D48-N52 PolarHBondContact O-N 3.16Å; D48-N52 PolarHBondContact O-ND2 3Å; I49-N52 PolarHBondContact O-N 3.43Å; N52-S54 PolarHBondContact O-N 2.64Å; N52-S54 PolarHBondContact O-OG 3.03Å
53	L	73.5	Confident	80.9	Confident	55 Å²	55	78.4 Å²	78.4	29%	0.288	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-13.6	175.4	-71	172.3	0	0	0	114.2	I49 A51 S55 M58 E117	I49-L53 WeakPolarHBondContact O-CG 3.44Å; I49-L53 PolarHBondContact O-N 3.31Å; A51-L53 VanDerWaalsContact C-N 3.29Å; A51-L53 PolarHBondContact O-N 2.92Å; L53-S55 PolarHBondContact O-N 3.21Å; L53-M58 HydrophobicContact CB-CE 4.34Å; L53-M58 HydrophobicContact CD1-CE 3.99Å; L53-E117 HydrophobicContact CD2-CG 4.04Å
54	S	68.1	Low	80.9	Confident	104 Å²	104	79.7 Å²	79.7	73%	0.727	43%	0.434	S	S	*	.			trans	58.8	18.6	169.9	-56	0	0	0	0	115.4	A51 N52	A51-S54 PolarHBondContact O-N 2.68Å; A51-S54 VanDerWaalsContact O-N 3.1Å; N52-S54 PolarHBondContact O-N 2.64Å; N52-S54 PolarHBondContact O-OG 3.03Å
55	S	65.4	Low	80.9	Confident	32 Å²	32	75.7 Å²	75.7	22%	0.224	42%	0.42	C	S	.	.			trans	-75.3	132.6	-178.3	-170.4	0	0	0	0	111.7	L53 N57 M58	L53-S55 PolarHBondContact O-N 3.21Å; S55-N57 PolarHBondContact O-N 2.98Å; S55-N57 PolarHBondContact OG-OD1 3.16Å; S55-M58 WeakPolarHBondContact O-CB 3.36Å; S55-M58 PolarHBondContact O-N 2.56Å; S55-M58 VanDerWaalsContact O-N 3.1Å
56	S	63.5	Low	80.7	Confident	71 Å²	71	80.4 Å²	80.4	50%	0.497	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-4.3	-169.7	82.1	0	0	0	0	115.4	K178	S56-K178 PolarHBondContact O-NZ 3.36Å; S56-K178 VanDerWaalsContact OG-CE 3.3Å; S56-K178 WeakPolarHBondContact OG-CE 3.37Å
57	N	66.4	Low	80.6	Confident	80 Å²	80	84.7 Å²	84.7	43%	0.428	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	13.4	177	67.6	-15.7	0	0	0	112.8	S55 E59	S55-N57 PolarHBondContact O-N 2.98Å; S55-N57 PolarHBondContact OG-OD1 3.16Å; N57-E59 PolarHBondContact O-N 3.5Å; N57-E59 VanDerWaalsContact O-N 3.17Å
58	M	75.7	Confident	80.5	Confident	64 Å²	64	87.1 Å²	87.1	32%	0.315	48%	0.478	S	S	.	.			trans	-79	100.6	-177.1	-167.6	70.7	70.8	0	0	111.4	R50 L53 S55	R50-M58 HydrophobicContact CB-CG 3.75Å; R50-M58 HydrophobicContact CB-SD 4.04Å; R50-M58 HydrophobicContact CG-CG 4.32Å; R50-M58 HydrophobicContact CG-SD 3.96Å; L53-M58 HydrophobicContact CB-CE 4.34Å; L53-M58 HydrophobicContact CD1-CE 3.99Å; S55-M58 WeakPolarHBondContact O-CB 3.36Å; S55-M58 PolarHBondContact O-N 2.56Å; S55-M58 VanDerWaalsContact O-N 3.1Å
59	E	75.4	Confident	80.5	Confident	156 Å²	156	85 Å²	85	73%	0.729	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-71.7	147	170.7	-62.9	-177.6	168.6	0	0	111.4	R50 N57	R50-E59 VanDerWaalsContact CZ-O 3.26Å; R50-E59 PolarHBondContact NE-O 3.42Å; R50-E59 PolarHBondContact NH2-O 3.43Å; N57-E59 PolarHBondContact O-N 3.5Å; N57-E59 VanDerWaalsContact O-N 3.17Å
60	C	80.5	Confident	80.4	Confident	93 Å²	93	86.8 Å²	86.8	63%	0.628	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-67.3	144.6	168.6	-62.6	0	0	0	0	110.1	T62	C60-T62 WeakPolarHBondContact O-CG2 3.36Å; C60-T62 PolarHBondContact O-N 3.47Å
61	L	87.3	Confident	80.3	Confident	63 Å²	63	86.2 Å²	86.2	33%	0.33	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-63.2	125.4	159.9	-55.8	176.1	0	0	0	107.3	F43 L46 N47	F43-L61 HydrophobicContact CD2-CB 4.29Å; F43-L61 HydrophobicContact CE2-CB 3.68Å; F43-L61 VanDerWaalsContact CZ-C 3.44Å; F43-L61 HydrophobicContact CZ-CB 4.02Å; F43-L61 WeakPolarHBondContact CZ-O 3.47Å; L46-L61 HydrophobicContact CB-CD1 3.96Å; L46-L61 HydrophobicContact CD1-CD1 4.33Å; N47-L61 PolarHBondContact ND2-O 3.39Å; N47-L61 WeakPolarHBondContact OD1-CB 3.35Å; N47-L61 PolarHBondContact OD1-N 2.96Å
62	T	86.7	Confident	80.4	Confident	134 Å²	134	85.5 Å²	85.5	82%	0.822	48%	0.477	S	S	*	.			trans	-101.5	-29	-168.2	52.4	0	0	0	0	114.5	C60	C60-T62 WeakPolarHBondContact O-CG2 3.36Å; C60-T62 PolarHBondContact O-N 3.47Å
63	K	86.9	Confident	80.5	Confident	178 Å²	178	84 Å²	84	77%	0.774	47%	0.467	S	S	*	.			trans	-151.1	141.2	-177.8	-176.8	177.9	176.4	-174.9	0	111
64	W	88.2	Confident	80.8	Confident	77 Å²	77	85.7 Å²	85.7	29%	0.292	47%	0.472	S	S	.	.			trans	-78.5	130	166.7	-170.1	-80.4	0	0	0	110.1	L34 R39 L42 F43 E69	L34-W64 HydrophobicContact CD1-CH2 3.91Å; L34-W64 HydrophobicContact CD1-CZ2 3.76Å; R39-W64 HydrophobicContact CB-CD2 4.12Å; R39-W64 HydrophobicContact CB-CE3 4.08Å; R39-W64 HydrophobicContact CB-CH2 4.31Å; R39-W64 HydrophobicContact CB-CZ2 4.33Å; R39-W64 HydrophobicContact CB-CZ3 4.18Å; R39-W64 VanDerWaalsContact CD-CE2 3.4Å; R39-W64 VanDerWaalsContact CD-NE1 3.31Å; R39-W64 HydrophobicContact CG-CD2 4.16Å; R39-W64 HydrophobicContact CG-CE3 4.42Å; R39-W64 HydrophobicContact CG-CH2 3.97Å; R39-W64 HydrophobicContact CG-CZ2 3.64Å; R39-W64 HydrophobicContact CG-CZ3 4.34Å; L42-W64 HydrophobicContact CB-CH2 4.35Å; L42-W64 HydrophobicContact CB-CZ3 3.99Å; L42-W64 HydrophobicContact CD1-CH2 3.9Å; L42-W64 HydrophobicContact CD1-CZ3 4.39Å; F43-W64 HydrophobicContact CB-CE3 4.16Å; F43-W64 HydrophobicContact CB-CZ3 4.48Å; F43-W64 HydrophobicContact CD2-CE3 4.1Å; W64-E69 HydrophobicContact CZ2-CG 4.34Å; W64-E69 PolarHBondContact NE1-OE2 2.57Å
65	S	88.8	Confident	81.3	Confident	42 Å²	42	81.8 Å²	81.8	29%	0.294	44%	0.443	S	S	.	.			trans	-106.4	121.4	178.1	-179.7	0	0	0	0	111.2	E67 L68 E69	S65-E67 PolarHBondContact O-N 3.29Å; S65-E67 PolarHBondContact OG-N 3.21Å; S65-L68 PolarHBondContact O-N 3.2Å; S65-E69 WeakPolarHBondContact O-CB 3.17Å; S65-E69 PolarHBondContact O-N 3.29Å
66	T	87.3	Confident	81.9	Confident	105 Å²	105	83.3 Å²	83.3	64%	0.644	46%	0.457	S	S	*	.	H	α-helix	trans	-68.4	-23	175.1	49.5	0	0	0	0	113	A70	T66-A70 WeakPolarHBondContact O-CB 3.34Å; T66-A70 PolarHBondContact O-N 3.44Å; T66-A70 VanDerWaalsContact O-N 3.09Å
67	E	86.6	Confident	82.5	Confident	142 Å²	142	82.2 Å²	82.2	66%	0.664	45%	0.449	S	S	*	.	H	α-helix	trans	-70.5	-46.6	173.6	-179.1	179.1	-154.4	0	0	110.9	S65 E69 A70 E71	S65-E67 PolarHBondContact O-N 3.29Å; S65-E67 PolarHBondContact OG-N 3.21Å; E67-E69 VanDerWaalsContact C-N 3.33Å; E67-A70 PolarHBondContact O-N 3.08Å; E67-E71 PolarHBondContact O-N 3.38Å; E67-E71 VanDerWaalsContact O-N 3.1Å
68	L	87.3	Confident	82.7	Confident	81 Å²	81	82.4 Å²	82.4	42%	0.424	45%	0.448	S	S	.	.	H	α-helix	trans	-68.4	-33	174.7	-61.1	-179.9	0	0	0	111.9	S65 A72 H88	S65-L68 PolarHBondContact O-N 3.2Å; L68-A72 WeakPolarHBondContact O-CB 3.44Å; L68-A72 PolarHBondContact O-N 3.1Å; L68-H88 HydrophobicContact CD2-CB 4.19Å
69	E	87.5	Confident	82.4	Confident	34 Å²	34	81.6 Å²	81.6	16%	0.159	45%	0.448	C	S	.	.	H	α-helix	trans	-61.1	-45.3	172.4	-172.3	174.6	-177.2	0	0	111.4	R39 W64 S65 E67 A72 Q73	R39-E69 IonicContact CZ-OE1 2.71Å; R39-E69 IonicContact CZ-OE2 3.46Å; R39-E69 IonicContact NH1-OE1 2.69Å; R39-E69 PolarHBondContact NH1-OE1 2.93Å; R39-E69 IonicContact NH1-OE2 3.57Å; R39-E69 PolarHBondContact NH1-OE2 3.04Å; W64-E69 HydrophobicContact CZ2-CG 4.34Å; W64-E69 PolarHBondContact NE1-OE2 2.57Å; S65-E69 WeakPolarHBondContact O-CB 3.17Å; S65-E69 PolarHBondContact O-N 3.29Å; E67-E69 VanDerWaalsContact C-N 3.33Å; E69-A72 PolarHBondContact O-N 2.84Å; E69-Q73 VanDerWaalsContact O-CB 3.23Å; E69-Q73 WeakPolarHBondContact O-CB 3.38Å; E69-Q73 PolarHBondContact O-N 2.9Å
70	A	84.5	Confident	81.8	Confident	53 Å²	53	76.6 Å²	76.6	44%	0.438	43%	0.428	S	S	.	.	H	α-helix	trans	-65.5	-43.8	178.3	0	0	0	0	0	112.8	T66 E67 Q73 K74	T66-A70 WeakPolarHBondContact O-CB 3.34Å; T66-A70 PolarHBondContact O-N 3.44Å; T66-A70 VanDerWaalsContact O-N 3.09Å; E67-A70 PolarHBondContact O-N 3.08Å; A70-Q73 PolarHBondContact O-N 2.84Å; A70-K74 PolarHBondContact O-N 3.48Å
71	E	83.6	Confident	80.6	Confident	67 Å²	67	74.8 Å²	74.8	31%	0.313	42%	0.42	S	S	.	.	H	α-helix	trans	-69.8	-37.3	178.3	-175.2	63	-174.1	0	0	111.7	E67 K74 I75	E67-E71 PolarHBondContact O-N 3.38Å; E67-E71 VanDerWaalsContact O-N 3.1Å; E71-K74 WeakPolarHBondContact O-CB 3.38Å; E71-K74 PolarHBondContact O-N 3.36Å; E71-K74 IonicContact OE1-NZ 2.97Å; E71-K74 PolarHBondContact OE1-NZ 3.46Å; E71-K74 WeakPolarHBondContact OE2-CD 3.19Å; E71-K74 IonicContact OE2-NZ 3.65Å; E71-K74 PolarHBondContact OE2-NZ 2.97Å; E71-I75 HydrophobicContact CG-CD1 4.3Å; E71-I75 WeakPolarHBondContact O-CG1 3.43Å; E71-I75 PolarHBondContact O-N 2.82Å
72	A	83.8	Confident	79.1	Confident	55 Å²	55	77.6 Å²	77.6	46%	0.455	43%	0.429	S	S	.	.	H	α-helix	trans	-65.1	-39	171.7	0	0	0	0	0	112.4	L68 E69 K74 I75 A76	L68-A72 WeakPolarHBondContact O-CB 3.44Å; L68-A72 PolarHBondContact O-N 3.1Å; E69-A72 PolarHBondContact O-N 2.84Å; A72-K74 VanDerWaalsContact C-N 3.33Å; A72-I75 PolarHBondContact O-N 3.3Å; A72-A76 VanDerWaalsContact O-CB 3.27Å; A72-A76 WeakPolarHBondContact O-CB 3.45Å; A72-A76 PolarHBondContact O-N 3.39Å
73	Q	82.9	Confident	77.6	Confident	77 Å²	77	79 Å²	79	36%	0.36	43%	0.427	S	S	.	.	H	α-helix	trans	-64.4	-37.5	175.4	-170.4	-179.9	21.7	0	0	111.5	P31 E69 A70 S77	P31-Q73 HydrophobicContact CB-CG 3.78Å; E69-Q73 VanDerWaalsContact O-CB 3.23Å; E69-Q73 WeakPolarHBondContact O-CB 3.38Å; E69-Q73 PolarHBondContact O-N 2.9Å; A70-Q73 PolarHBondContact O-N 2.84Å; Q73-S77 WeakPolarHBondContact O-CB 3.43Å; Q73-S77 PolarHBondContact O-N 3.38Å; Q73-S77 VanDerWaalsContact O-N 3.12Å
74	K	80.2	Confident	76.1	Confident	91 Å²	91	74.1 Å²	74.1	40%	0.396	41%	0.407	S	S	.	.	H	α-helix	trans	-60.7	-56.6	170.1	162	169.7	155.8	-89.1	0	111.3	A70 E71 A72 A76 S77 E78	A70-K74 PolarHBondContact O-N 3.48Å; E71-K74 WeakPolarHBondContact O-CB 3.38Å; E71-K74 PolarHBondContact O-N 3.36Å; E71-K74 IonicContact OE1-NZ 2.97Å; E71-K74 PolarHBondContact OE1-NZ 3.46Å; E71-K74 WeakPolarHBondContact OE2-CD 3.19Å; E71-K74 IonicContact OE2-NZ 3.65Å; E71-K74 PolarHBondContact OE2-NZ 2.97Å; A72-K74 VanDerWaalsContact C-N 3.33Å; K74-A76 VanDerWaalsContact C-N 3.32Å; K74-A76 PolarHBondContact O-N 2.95Å; K74-S77 WeakPolarHBondContact O-CB 3.42Å; K74-S77 PolarHBondContact O-N 3.15Å; K74-S77 PolarHBondContact O-OG 2.87Å; K74-E78 PolarHBondContact O-N 3.34Å
75	I	77.8	Confident	74.2	Confident	23 Å²	23	79.3 Å²	79.3	12%	0.118	43%	0.431	C	S	.	.	H	α-helix	trans	-57.5	-44	-179.5	-66.2	163.5	0	0	0	111.2	E71 A72 S77 E78 V90 I92	E71-I75 HydrophobicContact CG-CD1 4.3Å; E71-I75 WeakPolarHBondContact O-CG1 3.43Å; E71-I75 PolarHBondContact O-N 2.82Å; A72-I75 PolarHBondContact O-N 3.3Å; I75-S77 VanDerWaalsContact C-N 3.27Å; I75-S77 PolarHBondContact O-N 3.05Å; I75-E78 PolarHBondContact O-N 3.15Å; I75-V90 HydrophobicContact CD1-CG1 4.23Å; I75-V90 HydrophobicContact CD1-CG2 3.83Å; I75-V90 HydrophobicContact CG2-CG1 4.21Å; I75-I92 HydrophobicContact CG2-CD1 4.15Å
76	A	78	Confident	72.7	Confident	64 Å²	64	79.5 Å²	79.5	53%	0.529	44%	0.44	S	S	.	.	H	α-helix	trans	-62.5	-32.1	177.1	0	0	0	0	0	113.1	A72 K74 E78 C79	A72-A76 VanDerWaalsContact O-CB 3.27Å; A72-A76 WeakPolarHBondContact O-CB 3.45Å; A72-A76 PolarHBondContact O-N 3.39Å; K74-A76 VanDerWaalsContact C-N 3.32Å; K74-A76 PolarHBondContact O-N 2.95Å; A76-E78 VanDerWaalsContact C-N 3.27Å; A76-E78 PolarHBondContact O-N 2.88Å; A76-C79 PolarHBondContact O-N 3.31Å
77	S	76.4	Confident	71.5	Confident	47 Å²	47	79.6 Å²	79.6	33%	0.329	45%	0.445	S	S	.	.	H	α-helix	trans	-67	-26.7	178.5	80.4	0	0	0	0	113.5	G29 Q73 K74 I75 C79	G29-S77 WeakPolarHBondContact CA-O 3.39Å; G29-S77 PolarHBondContact N-O 3.31Å; Q73-S77 WeakPolarHBondContact O-CB 3.43Å; Q73-S77 PolarHBondContact O-N 3.38Å; Q73-S77 VanDerWaalsContact O-N 3.12Å; K74-S77 WeakPolarHBondContact O-CB 3.42Å; K74-S77 PolarHBondContact O-N 3.15Å; K74-S77 PolarHBondContact O-OG 2.87Å; I75-S77 VanDerWaalsContact C-N 3.27Å; I75-S77 PolarHBondContact O-N 3.05Å; S77-C79 VanDerWaalsContact C-N 3.34Å; S77-C79 PolarHBondContact O-N 3.23Å
78	E	72	Confident	70.7	Confident	84 Å²	84	77.2 Å²	77.2	39%	0.393	43%	0.434	S	S	.	.	H	α-helix	trans	-75.2	-22.4	-179	-52.8	-160.8	164.5	0	0	113.3	K74 I75 A76 T80	K74-E78 PolarHBondContact O-N 3.34Å; I75-E78 PolarHBondContact O-N 3.15Å; A76-E78 VanDerWaalsContact C-N 3.27Å; A76-E78 PolarHBondContact O-N 2.88Å; E78-T80 HydrophobicContact CB-CG2 4.13Å; E78-T80 PolarHBondContact O-N 3.33Å
79	C	68.2	Low	69.7	Low	47 Å²	47	77.5 Å²	77.5	32%	0.318	46%	0.457	S	S	.	.			trans	54.3	20.2	-179.7	-71.5	0	0	0	0	115.4	L27 G29 A76 S77	L27-C79 HydrophobicContact CB-CB 4.25Å; G29-C79 WeakPolarHBondContact CA-SG 3.21Å; G29-C79 PolarHBondContact N-SG 3.5Å; G29-C79 VanDerWaalsContact N-SG 3.43Å; A76-C79 PolarHBondContact O-N 3.31Å; S77-C79 VanDerWaalsContact C-N 3.34Å; S77-C79 PolarHBondContact O-N 3.23Å
80	T	64.1	Low	69.1	Low	51 Å²	51	78.8 Å²	78.8	31%	0.313	47%	0.467	S	S	.	.			trans	-83.6	165.8	174	86.8	0	0	0	0	111.3	E78 Y94	E78-T80 HydrophobicContact CB-CG2 4.13Å; E78-T80 PolarHBondContact O-N 3.33Å; T80-Y94 PolarHBondContact O-OH 2.97Å
81	A	53.8	Low	68.7	Low	55 Å²	55	81 Å²	81	46%	0.455	49%	0.485	S	S	.	.			trans	-114.2	32.6	176.1	0	0	0	0	0	112.5	T19 Y94	T19-A81 HydrophobicContact CG2-CB 3.48Å; T19-A81 VanDerWaalsContact CG2-CB 3.48Å; A81-Y94 WeakPolarHBondContact CA-OH 3.18Å
82	K	56	Low	68.5	Low	122 Å²	122	81 Å²	81	53%	0.53	49%	0.486	S	S	.	.	S	Bend	trans	-97.9	131.9	174.5	-73.1	163.8	-172.9	154	0	108.5	E23 E84	E23-K82 WeakPolarHBondContact OE1-CE 3.44Å; E23-K82 IonicContact OE1-NZ 2.73Å; E23-K82 PolarHBondContact OE1-NZ 2.95Å; K82-E84 VanDerWaalsContact C-N 3.33Å; K82-E84 PolarHBondContact O-N 3.01Å
83	E	55	Low	68.2	Low	164 Å²	164	80.7 Å²	80.7	77%	0.766	48%	0.476	S	S	*	.			trans	-65.2	97.1	164.8	-66.8	175.1	145.4	0	0	107.5	K85	E83-K85 PolarHBondContact O-N 3.12Å
84	E	56.1	Low	67.8	Low	76 Å²	76	83.1 Å²	83.1	36%	0.355	48%	0.483	S	S	.	.			trans	-55.3	130.4	173.7	-80.7	-100.8	90.4	0	0	109.8	K82 G86	K82-E84 VanDerWaalsContact C-N 3.33Å; K82-E84 PolarHBondContact O-N 3.01Å; E84-G86 PolarHBondContact O-N 3.33Å
85	K	48.8	Very low	67.5	Low	185 Å²	185	81.8 Å²	81.8	80%	0.804	48%	0.478	S	S	*	.			trans	-78.1	59.7	175.7	-72.4	-170.4	174.9	-174.6	0	111	E83	E83-K85 PolarHBondContact O-N 3.12Å
86	G	57.3	Low	67.1	Low	46 Å²	46	85.8 Å²	85.8	47%	0.474	50%	0.504	S	S	.	.			trans	-77.4	171.8	175.6	0	0	0	0	0	113.6	E84 H88	E84-G86 PolarHBondContact O-N 3.33Å; G86-H88 PolarHBondContact O-N 2.98Å
87	S	60.8	Low	66.5	Low	108 Å²	108	85.8 Å²	85.8	76%	0.755	50%	0.499	S	S	*	.	S	Bend	trans	-74.1	-6.4	170.2	39.2	0	0	0	0	114
88	H	70	Confident	65.8	Low	91 Å²	91	90.3 Å²	90.3	42%	0.421	52%	0.524	S	S	.	.	S	Bend	trans	-128.7	153.4	-172.9	-49.5	-67.5	0	0	0	110.5	L68 G86 V90	L68-H88 HydrophobicContact CD2-CB 4.19Å; G86-H88 PolarHBondContact O-N 2.98Å; H88-V90 PolarHBondContact O-N 2.65Å
89	G	67.6	Low	65.3	Low	88 Å²	88	88.7 Å²	88.7	91%	0.907	52%	0.522	S	S	*	.			trans	-70	126.1	173.6	0	0	0	0	0	111.2
90	V	74	Confident	64.7	Low	61 Å²	61	92.3 Å²	92.3	37%	0.37	55%	0.548	S	S	.	.			trans	-108.3	136.5	-179	-177	0	0	0	0	109.7	I75 H88 I92	I75-V90 HydrophobicContact CD1-CG1 4.23Å; I75-V90 HydrophobicContact CD1-CG2 3.83Å; I75-V90 HydrophobicContact CG2-CG1 4.21Å; H88-V90 PolarHBondContact O-N 2.65Å; V90-I92 HydrophobicContact CG1-CD1 4.16Å; V90-I92 HydrophobicContact CG1-CG1 3.9Å
91	A	77	Confident	64.2	Low	99 Å²	99	95.1 Å²	95.1	82%	0.818	57%	0.57	S	S	*	*			trans	-134.5	134.5	171.5	0	0	0	0	0	109.4
92	I	78	Confident	64.6	Low	67 Å²	67	95.2 Å²	95.2	34%	0.344	57%	0.567	S	S	.	*			trans	-130.8	134.5	-173	-44.5	177.1	0	0	0	109.9	I75 V90 Y94	I75-I92 HydrophobicContact CG2-CD1 4.15Å; V90-I92 HydrophobicContact CG1-CD1 4.16Å; V90-I92 HydrophobicContact CG1-CG1 3.9Å; I92-Y94 HydrophobicContact CB-CE2 4Å; I92-Y94 HydrophobicContact CG2-CD2 4.41Å; I92-Y94 HydrophobicContact CG2-CE1 3.91Å; I92-Y94 HydrophobicContact CG2-CE2 3.75Å; I92-Y94 VanDerWaalsContact CG2-CZ 3.45Å; I92-Y94 WeakPolarHBondContact CG2-OH 3.25Å
93	I	77.9	Confident	65.1	Low	49 Å²	49	94.8 Å²	94.8	25%	0.251	58%	0.575	S	S	.	*			trans	-117.8	109.5	-179.8	-56.5	166.8	0	0	0	109.2	H95 Y109 I112 I113	I93-H95 PolarHBondContact O-N 3.34Å; I93-Y109 HydrophobicContact CB-CD1 4.33Å; I93-Y109 HydrophobicContact CG2-CD1 4.02Å; I93-I112 HydrophobicContact CG2-CB 4.34Å; I93-I112 HydrophobicContact CG2-CD1 4.29Å; I93-I112 HydrophobicContact CG2-CG2 3.75Å; I93-I113 HydrophobicContact CD1-CD1 3.67Å; I93-I113 HydrophobicContact CD1-CG1 3.48Å; I93-I113 VanDerWaalsContact CD1-CG1 3.48Å
94	Y	75.6	Confident	65.8	Low	127 Å²	127	88 Å²	88	50%	0.498	55%	0.545	S	S	.	.			trans	-90.2	90.9	176.6	-56.4	-84.3	0	0	0	110.5	T80 A81 I92	T80-Y94 PolarHBondContact O-OH 2.97Å; A81-Y94 WeakPolarHBondContact CA-OH 3.18Å; I92-Y94 HydrophobicContact CB-CE2 4Å; I92-Y94 HydrophobicContact CG2-CD2 4.41Å; I92-Y94 HydrophobicContact CG2-CE1 3.91Å; I92-Y94 HydrophobicContact CG2-CE2 3.75Å; I92-Y94 VanDerWaalsContact CG2-CZ 3.45Å; I92-Y94 WeakPolarHBondContact CG2-OH 3.25Å
95	H	73.7	Confident	67.1	Low	63 Å²	63	87.8 Å²	87.8	29%	0.292	55%	0.549	S	S	.	.			trans	-89.3	130.1	169.5	-172.1	76.7	0	0	0	111.4	I93 P97 Y109 I112	I93-H95 PolarHBondContact O-N 3.34Å; H95-P97 WeakPolarHBondContact NE2-CA 3.3Å; H95-Y109 HydrophobicContact CB-CE1 4.13Å; H95-I112 HydrophobicContact CB-CD1 3.8Å; H95-I112 WeakPolarHBondContact ND1-CD1 3.44Å
96	T	69.7	Low	68.9	Low	107 Å²	107	80 Å²	80	66%	0.656	52%	0.515	S	S	*	.			trans	-106.6	107.9	168.2	53.9	0	0	0	0	109.9	T98	T96-T98 PolarHBondContact O-N 3.35Å
97	P	64.7	Low	70.1	Confident	65 Å²	65	81.4 Å²	81.4	42%	0.422	52%	0.518	S	S	.	.			trans	-62.7	134	-176.1	24.8	-33.5	0	0	0	111.4	H95 S99	H95-P97 WeakPolarHBondContact NE2-CA 3.3Å; P97-S99 VanDerWaalsContact C-N 3.31Å
98	T	61.6	Low	71.3	Confident	141 Å²	141	80.1 Å²	80.1	87%	0.865	50%	0.5	S	S	*	.	S	Bend	trans	-73.4	-25.4	-175.8	56	0	0	0	0	112.4	T96	T96-T98 PolarHBondContact O-N 3.35Å
99	S	61	Low	72.1	Confident	50 Å²	50	78.9 Å²	78.9	35%	0.35	49%	0.493	S	S	.	.	S	Bend	trans	-104.7	147.7	170.6	62.3	0	0	0	0	110.7	P97 S101 S102	P97-S99 VanDerWaalsContact C-N 3.31Å; S99-S101 VanDerWaalsContact C-N 3.26Å; S99-S101 PolarHBondContact O-N 2.88Å; S99-S102 PolarHBondContact OG-OG 2.74Å
100	S	56.3	Low	73.1	Confident	124 Å²	124	75.4 Å²	75.4	87%	0.867	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	31.8	-173.6	60.1	0	0	0	0	113.9
101	S	53.6	Low	73.6	Confident	110 Å²	110	76.4 Å²	76.4	77%	0.769	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-153.3	10.8	-165.1	61.8	0	0	0	0	116.6	S99	S99-S101 VanDerWaalsContact C-N 3.26Å; S99-S101 PolarHBondContact O-N 2.88Å
102	S	62.6	Low	74	Confident	57 Å²	57	72.6 Å²	72.6	40%	0.399	42%	0.422	S	S	.	.			trans	-137.4	131.4	177.5	46.1	0	0	0	0	111.4	S99	S99-S102 PolarHBondContact OG-OG 2.74Å
103	V	65.9	Low	74.3	Confident	113 Å²	113	71.3 Å²	71.3	69%	0.685	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-68.4	133.7	161.4	179.9	0	0	0	0	107	T105	V103-T105 PolarHBondContact O-N 3.42Å
104	P	69.7	Low	74.5	Confident	21 Å²	21	73.2 Å²	73.2	14%	0.136	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-64.6	135.9	179.4	-19	32.2	0	0	0	110.9	Y109	P104-Y109 HydrophobicContact CB-CD2 4.42Å; P104-Y109 HydrophobicContact CB-CE2 3.77Å; P104-Y109 WeakPolarHBondContact O-CE2 3.35Å
105	T	82.9	Confident	74.7	Confident	71 Å²	71	73.7 Å²	73.7	44%	0.436	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-74.1	157	177.4	60.5	0	0	0	0	111.5	V103 S107 E108 Y109	V103-T105 PolarHBondContact O-N 3.42Å; T105-S107 PolarHBondContact O-N 2.66Å; T105-E108 WeakPolarHBondContact CB-OE2 3.49Å; T105-E108 PolarHBondContact N-OE2 2.94Å; T105-E108 WeakPolarHBondContact O-CB 3.27Å; T105-E108 PolarHBondContact O-N 2.91Å; T105-E108 WeakPolarHBondContact OG1-CG 3.37Å; T105-E108 PolarHBondContact OG1-N 2.99Å; T105-E108 PolarHBondContact OG1-OE2 3.21Å; T105-Y109 VanDerWaalsContact O-CD2 3.32Å; T105-Y109 WeakPolarHBondContact O-CD2 3.36Å; T105-Y109 PolarHBondContact O-N 3.4Å; T105-Y109 VanDerWaalsContact O-N 3.17Å
106	I	86.2	Confident	74.7	Confident	21 Å²	21	76.1 Å²	76.1	11%	0.108	44%	0.436	C	S	.	.	H	α-helix	trans	-52.8	-39.1	172.1	-62.6	-51.2	0	0	0	111.7	L34 D38 A41 L42 E108 Y109 L110	L34-I106 HydrophobicContact CD2-CD1 4.1Å; D38-I106 HydrophobicContact CB-CD1 4.19Å; D38-I106 HydrophobicContact CB-CG1 3.84Å; D38-I106 WeakPolarHBondContact OD1-CG1 3.43Å; A41-I106 HydrophobicContact CB-CG2 3.99Å; L42-I106 HydrophobicContact CB-CG2 4.49Å; L42-I106 HydrophobicContact CD1-CD1 3.99Å; L42-I106 HydrophobicContact CD2-CD1 4.25Å; L42-I106 HydrophobicContact CD2-CG2 3.76Å; L42-I106 HydrophobicContact CG-CD1 3.98Å; L42-I106 HydrophobicContact CG-CG1 4.49Å; L42-I106 HydrophobicContact CG-CG2 3.67Å; I106-E108 VanDerWaalsContact C-N 3.32Å; I106-E108 PolarHBondContact O-N 3.1Å; I106-Y109 PolarHBondContact O-N 3.17Å; I106-L110 HydrophobicContact CG2-CD1 3.9Å; I106-L110 HydrophobicContact CG2-CG 4.34Å; I106-L110 WeakPolarHBondContact O-CG 3.13Å; I106-L110 PolarHBondContact O-N 3.33Å
107	S	84.3	Confident	74.5	Confident	77 Å²	77	74 Å²	74	54%	0.538	42%	0.419	S	S	.	.	H	α-helix	trans	-60.7	-36.2	175.1	-55	0	0	0	0	113.5	T105 N111	T105-S107 PolarHBondContact O-N 2.66Å; S107-N111 WeakPolarHBondContact O-CB 3.32Å; S107-N111 PolarHBondContact O-N 3.18Å; S107-N111 PolarHBondContact O-ND2 3.37Å
108	E	84.9	Confident	74.2	Confident	80 Å²	80	73.5 Å²	73.5	37%	0.374	42%	0.42	S	S	.	.	H	α-helix	trans	-71.2	-41.5	176.1	-74.3	161	123.8	0	0	111.2	T105 I106 N111 I112	T105-E108 WeakPolarHBondContact CB-OE2 3.49Å; T105-E108 PolarHBondContact N-OE2 2.94Å; T105-E108 WeakPolarHBondContact O-CB 3.27Å; T105-E108 PolarHBondContact O-N 2.91Å; T105-E108 WeakPolarHBondContact OG1-CG 3.37Å; T105-E108 PolarHBondContact OG1-N 2.99Å; T105-E108 PolarHBondContact OG1-OE2 3.21Å; I106-E108 VanDerWaalsContact C-N 3.32Å; I106-E108 PolarHBondContact O-N 3.1Å; E108-N111 PolarHBondContact O-N 3Å; E108-I112 WeakPolarHBondContact O-CD1 3.39Å; E108-I112 VanDerWaalsContact O-CG1 3.29Å; E108-I112 WeakPolarHBondContact O-CG1 3.3Å; E108-I112 PolarHBondContact O-N 2.87Å
109	Y	87.5	Confident	73.9	Confident	66 Å²	66	69.9 Å²	69.9	26%	0.259	40%	0.404	S	S	.	.	H	α-helix	trans	-60.5	-46.3	172	-69.5	-70.9	0	0	0	112.2	I93 H95 P104 T105 I106 N111 I112 I113	I93-Y109 HydrophobicContact CB-CD1 4.33Å; I93-Y109 HydrophobicContact CG2-CD1 4.02Å; H95-Y109 HydrophobicContact CB-CE1 4.13Å; P104-Y109 HydrophobicContact CB-CD2 4.42Å; P104-Y109 HydrophobicContact CB-CE2 3.77Å; P104-Y109 WeakPolarHBondContact O-CE2 3.35Å; T105-Y109 VanDerWaalsContact O-CD2 3.32Å; T105-Y109 WeakPolarHBondContact O-CD2 3.36Å; T105-Y109 PolarHBondContact O-N 3.4Å; T105-Y109 VanDerWaalsContact O-N 3.17Å; I106-Y109 PolarHBondContact O-N 3.17Å; Y109-N111 VanDerWaalsContact C-N 3.25Å; Y109-N111 PolarHBondContact O-N 3.25Å; Y109-I112 PolarHBondContact O-N 3.25Å; Y109-I112 VanDerWaalsContact O-N 3.14Å; Y109-I113 WeakPolarHBondContact O-CG1 3.23Å; Y109-I113 PolarHBondContact O-N 3.1Å
110	L	87.9	Confident	73.6	Confident	15 Å²	15	71.6 Å²	71.6	8%	0.079	41%	0.409	C	S	.	.	H	α-helix	trans	-61.8	-31.6	176.4	-71.6	169.7	0	0	0	112.8	L46 I49 I106 I113 K114	L46-L110 HydrophobicContact CG-CD2 4.31Å; I49-L110 HydrophobicContact CD1-CD2 4.08Å; I106-L110 HydrophobicContact CG2-CD1 3.9Å; I106-L110 HydrophobicContact CG2-CG 4.34Å; I106-L110 WeakPolarHBondContact O-CG 3.13Å; I106-L110 PolarHBondContact O-N 3.33Å; L110-I113 HydrophobicContact CD2-CD1 4.48Å; L110-K114 WeakPolarHBondContact O-CG 3.32Å; L110-K114 PolarHBondContact O-N 3.41Å
111	N	85.3	Confident	73.2	Confident	81 Å²	81	71.2 Å²	71.2	43%	0.433	39%	0.393	S	S	.	.	H	α-helix	trans	-72.9	-37.7	173.9	-72	-17.8	0	0	0	112.2	S107 E108 Y109 I113 K114 E115	S107-N111 WeakPolarHBondContact O-CB 3.32Å; S107-N111 PolarHBondContact O-N 3.18Å; S107-N111 PolarHBondContact O-ND2 3.37Å; E108-N111 PolarHBondContact O-N 3Å; Y109-N111 VanDerWaalsContact C-N 3.25Å; Y109-N111 PolarHBondContact O-N 3.25Å; N111-I113 VanDerWaalsContact C-N 3.31Å; N111-I113 PolarHBondContact O-N 3.3Å; N111-K114 CarbonylContact O-C 3.58Å; N111-K114 WeakPolarHBondContact O-CB 3.41Å; N111-K114 PolarHBondContact O-N 2.93Å; N111-K114 VanDerWaalsContact O-N 3.12Å; N111-E115 PolarHBondContact O-N 2.92Å
112	I	83.9	Confident	72.7	Confident	19 Å²	19	72.8 Å²	72.8	10%	0.097	39%	0.393	C	S	.	.	H	α-helix	trans	-62.8	-38.8	174.2	-63.5	158.8	0	0	0	111	I93 H95 E108 Y109 K114 E115 Y116	I93-I112 HydrophobicContact CG2-CB 4.34Å; I93-I112 HydrophobicContact CG2-CD1 4.29Å; I93-I112 HydrophobicContact CG2-CG2 3.75Å; H95-I112 HydrophobicContact CB-CD1 3.8Å; H95-I112 WeakPolarHBondContact ND1-CD1 3.44Å; E108-I112 WeakPolarHBondContact O-CD1 3.39Å; E108-I112 VanDerWaalsContact O-CG1 3.29Å; E108-I112 WeakPolarHBondContact O-CG1 3.3Å; E108-I112 PolarHBondContact O-N 2.87Å; Y109-I112 PolarHBondContact O-N 3.25Å; Y109-I112 VanDerWaalsContact O-N 3.14Å; I112-K114 VanDerWaalsContact C-N 3.3Å; I112-K114 PolarHBondContact O-N 3.38Å; I112-E115 PolarHBondContact O-N 2.92Å; I112-E115 VanDerWaalsContact O-N 3.16Å; I112-Y116 HydrophobicContact CG2-CD1 4.4Å; I112-Y116 HydrophobicContact CG2-CE1 3.7Å; I112-Y116 HydrophobicContact CG2-CE2 4.16Å; I112-Y116 WeakPolarHBondContact O-CD1 3.23Å; I112-Y116 PolarHBondContact O-N 3.47Å
113	I	84.4	Confident	71.6	Confident	41 Å²	41	75.6 Å²	75.6	21%	0.21	40%	0.404	C	S	.	.	H	α-helix	trans	-62.7	-38.2	174.4	-59.9	169.3	0	0	0	110.9	L46 I49 I93 Y109 L110 N111 Y116 E117	L46-I113 HydrophobicContact CD2-CD1 3.77Å; I49-I113 HydrophobicContact CD1-CB 4.08Å; I49-I113 HydrophobicContact CD1-CG2 3.86Å; I49-I113 HydrophobicContact CG2-CG2 4.3Å; I93-I113 HydrophobicContact CD1-CD1 3.67Å; I93-I113 HydrophobicContact CD1-CG1 3.48Å; I93-I113 VanDerWaalsContact CD1-CG1 3.48Å; Y109-I113 WeakPolarHBondContact O-CG1 3.23Å; Y109-I113 PolarHBondContact O-N 3.1Å; L110-I113 HydrophobicContact CD2-CD1 4.48Å; N111-I113 VanDerWaalsContact C-N 3.31Å; N111-I113 PolarHBondContact O-N 3.3Å; I113-Y116 WeakPolarHBondContact O-CB 3.49Å; I113-Y116 PolarHBondContact O-N 3.2Å; I113-E117 PolarHBondContact O-N 3.4Å
114	K	82.8	Confident	70	Confident	89 Å²	89	72.6 Å²	72.6	39%	0.387	40%	0.395	S	S	.	.	H	α-helix	trans	-69.3	-33.6	173.3	-67.3	165	-173	171.7	0	112.5	I49 L110 N111 I112 Y116 E117	I49-K114 HydrophobicContact CD1-CD 4.49Å; I49-K114 HydrophobicContact CD1-CG 3.91Å; I49-K114 HydrophobicContact CG1-CD 4.41Å; I49-K114 HydrophobicContact CG1-CG 3.87Å; L110-K114 WeakPolarHBondContact O-CG 3.32Å; L110-K114 PolarHBondContact O-N 3.41Å; N111-K114 CarbonylContact O-C 3.58Å; N111-K114 WeakPolarHBondContact O-CB 3.41Å; N111-K114 PolarHBondContact O-N 2.93Å; N111-K114 VanDerWaalsContact O-N 3.12Å; I112-K114 VanDerWaalsContact C-N 3.3Å; I112-K114 PolarHBondContact O-N 3.38Å; K114-Y116 VanDerWaalsContact C-N 3.28Å; K114-Y116 PolarHBondContact O-N 3.21Å; K114-E117 WeakPolarHBondContact O-CB 3.41Å; K114-E117 PolarHBondContact O-N 3.19Å; K114-E117 VanDerWaalsContact O-N 3.11Å
115	E	79.1	Confident	68.2	Low	136 Å²	136	74.8 Å²	74.8	64%	0.636	41%	0.411	S	S	*	.	H	α-helix	trans	-66.2	-30.7	172.2	-72.5	177.6	-171.4	0	0	112.1	N111 I112 E117 A118	N111-E115 PolarHBondContact O-N 2.92Å; I112-E115 PolarHBondContact O-N 2.92Å; I112-E115 VanDerWaalsContact O-N 3.16Å; E115-E117 PolarHBondContact O-N 2.89Å; E115-A118 WeakPolarHBondContact O-CB 3.43Å; E115-A118 PolarHBondContact O-N 2.89Å
116	Y	74.1	Confident	65.6	Low	114 Å²	114	75.2 Å²	75.2	45%	0.447	41%	0.413	S	S	.	.	H	α-helix	trans	-67.4	-20.4	171.7	-61.5	-12.6	0	0	0	113	I112 I113 K114 A118 A119 L120	I112-Y116 HydrophobicContact CG2-CD1 4.4Å; I112-Y116 HydrophobicContact CG2-CE1 3.7Å; I112-Y116 HydrophobicContact CG2-CE2 4.16Å; I112-Y116 WeakPolarHBondContact O-CD1 3.23Å; I112-Y116 PolarHBondContact O-N 3.47Å; I113-Y116 WeakPolarHBondContact O-CB 3.49Å; I113-Y116 PolarHBondContact O-N 3.2Å; K114-Y116 VanDerWaalsContact C-N 3.28Å; K114-Y116 PolarHBondContact O-N 3.21Å; Y116-A118 VanDerWaalsContact C-N 3.3Å; Y116-A118 PolarHBondContact O-N 3.33Å; Y116-A119 WeakPolarHBondContact O-CB 3.46Å; Y116-A119 PolarHBondContact O-N 2.82Å; Y116-A119 VanDerWaalsContact O-N 3.15Å; Y116-L120 PolarHBondContact O-N 3Å; Y116-L120 VanDerWaalsContact O-N 3.1Å
117	E	65.7	Low	62.7	Low	63 Å²	63	79.7 Å²	79.7	29%	0.294	45%	0.445	S	S	.	.	H	α-helix	trans	-61.6	-38.6	170.1	-159.2	-170.2	138.4	0	0	111.6	L53 I113 K114 E115 A119 L120 Q121	L53-E117 HydrophobicContact CD2-CG 4.04Å; I113-E117 PolarHBondContact O-N 3.4Å; K114-E117 WeakPolarHBondContact O-CB 3.41Å; K114-E117 PolarHBondContact O-N 3.19Å; K114-E117 VanDerWaalsContact O-N 3.11Å; E115-E117 PolarHBondContact O-N 2.89Å; E117-A119 VanDerWaalsContact C-N 3.27Å; E117-A119 PolarHBondContact O-N 3.41Å; E117-L120 WeakPolarHBondContact O-CB 3.43Å; E117-L120 PolarHBondContact O-N 2.9Å; E117-Q121 WeakPolarHBondContact O-CG 3.16Å; E117-Q121 PolarHBondContact O-N 3.15Å
118	A	58	Low	60.1	Low	54 Å²	54	78.2 Å²	78.2	45%	0.446	44%	0.438	S	S	.	.	H	α-helix	trans	-70.2	-22.5	175.8	0	0	0	0	0	113.1	E115 Y116 N122	E115-A118 WeakPolarHBondContact O-CB 3.43Å; E115-A118 PolarHBondContact O-N 2.89Å; Y116-A118 VanDerWaalsContact C-N 3.3Å; Y116-A118 PolarHBondContact O-N 3.33Å; A118-N122 PolarHBondContact O-ND2 3.46Å; A118-N122 VanDerWaalsContact O-ND2 3.11Å
119	A	55.7	Low	57.6	Low	65 Å²	65	84.1 Å²	84.1	54%	0.537	47%	0.465	S	S	.	.	H	α-helix	trans	-74.5	-42.8	171.3	0	0	0	0	0	111.5	Y116 E117 Q121 N122	Y116-A119 WeakPolarHBondContact O-CB 3.46Å; Y116-A119 PolarHBondContact O-N 2.82Å; Y116-A119 VanDerWaalsContact O-N 3.15Å; E117-A119 VanDerWaalsContact C-N 3.27Å; E117-A119 PolarHBondContact O-N 3.41Å; A119-Q121 PolarHBondContact O-N 2.91Å; A119-N122 PolarHBondContact O-N 3.48Å
120	L	55	Low	55.8	Low	86 Å²	86	82.6 Å²	82.6	45%	0.45	47%	0.47	S	S	.	.	H	α-helix	trans	-56	-38.7	173.9	-72.8	169.1	0	0	0	111.9	Y116 E117 N122 C125	Y116-L120 PolarHBondContact O-N 3Å; Y116-L120 VanDerWaalsContact O-N 3.1Å; E117-L120 WeakPolarHBondContact O-CB 3.43Å; E117-L120 PolarHBondContact O-N 2.9Å; L120-N122 PolarHBondContact O-N 3.43Å; L120-C125 HydrophobicContact CB-CB 3.92Å; L120-C125 HydrophobicContact CD2-CB 4.27Å; L120-C125 WeakPolarHBondContact O-CB 3.35Å; L120-C125 PolarHBondContact O-N 3.05Å
121	Q	47.7	Very low	54.9	Low	116 Å²	116	86.1 Å²	86.1	54%	0.542	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-14.4	-179.2	-70.4	176.3	15.5	0	0	115.1	E117 A119	E117-Q121 WeakPolarHBondContact O-CG 3.16Å; E117-Q121 PolarHBondContact O-N 3.15Å; A119-Q121 PolarHBondContact O-N 2.91Å
122	N	43.8	Very low	54.8	Low	143 Å²	143	84.6 Å²	84.6	77%	0.765	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-11	-178.2	-80.3	-81.4	0	0	0	115.3	A118 A119 L120	A118-N122 PolarHBondContact O-ND2 3.46Å; A118-N122 VanDerWaalsContact O-ND2 3.11Å; A119-N122 PolarHBondContact O-N 3.48Å; L120-N122 PolarHBondContact O-N 3.43Å
123	D	38.1	Very low	55.1	Low	117 Å²	117	85.4 Å²	85.4	63%	0.626	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.4	55.4	176	-150.7	-15.1	0	0	0	114	K152	D123-K152 IonicContact OD1-NZ 3.47Å; D123-K152 PolarHBondContact OD1-NZ 3.1Å; D123-K152 IonicContact OD2-NZ 2.64Å; D123-K152 PolarHBondContact OD2-NZ 3.05Å
124	G	33.1	Very low	55.4	Low	49 Å²	49	84.8 Å²	84.8	51%	0.505	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	107.6	-8.1	159.1	0	0	0	0	0	117	T126	G124-T126 PolarHBondContact O-N 2.91Å
125	C	31	Very low	56	Low	67 Å²	67	80.6 Å²	80.6	45%	0.453	46%	0.464	S	S	.	.			trans	-89.4	51.8	172.5	-67.5	0	0	0	0	112.3	L120 C127	L120-C125 HydrophobicContact CB-CB 3.92Å; L120-C125 HydrophobicContact CD2-CB 4.27Å; L120-C125 WeakPolarHBondContact O-CB 3.35Å; L120-C125 PolarHBondContact O-N 3.05Å; C125-C127 PolarHBondContact O-N 2.76Å
126	T	29.7	Very low	56.7	Low	80 Å²	80	75.9 Å²	75.9	49%	0.491	44%	0.44	S	S	.	.			trans	-68.1	120.7	154.9	44.8	0	0	0	0	108.2	G124 A128	G124-T126 PolarHBondContact O-N 2.91Å; T126-A128 PolarHBondContact O-N 2.97Å
127	C	26	Very low	57.7	Low	115 Å²	115	71.6 Å²	71.6	78%	0.777	42%	0.423	S	S	*	.			trans	-69	71.4	168.1	-66.1	0	0	0	0	110	C125	C125-C127 PolarHBondContact O-N 2.76Å
128	A	28.4	Very low	59.1	Low	46 Å²	46	68.6 Å²	68.6	38%	0.38	41%	0.409	S	S	.	.			trans	-119.2	120.4	-174.1	0	0	0	0	0	109.3	T126 G130 Q131	T126-A128 PolarHBondContact O-N 2.97Å; A128-G130 PolarHBondContact O-N 2.97Å; A128-Q131 PolarHBondContact O-N 3.5Å
129	Q	33.3	Very low	60.7	Low	204 Å²	204	68 Å²	68	95%	0.953	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-24.5	110.4	174.3	-65.2	156.9	-25.4	0	0	114	Q131	Q129-Q131 PolarHBondContact O-N 2.62Å
130	G	49.7	Very low	62.3	Low	35 Å²	35	66.8 Å²	66.8	36%	0.361	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	38.3	166.3	0	0	0	0	0	116.3	A128 L132	A128-G130 PolarHBondContact O-N 2.97Å; G130-L132 PolarHBondContact O-N 3.09Å
131	Q	67.9	Low	63.7	Low	88 Å²	88	67.5 Å²	67.5	41%	0.411	38%	0.38	S	S	.	.			trans	-74.7	99.9	-174.5	-169.6	159.4	-60.8	0	0	113.7	A128 Q129 V133 S174	A128-Q131 PolarHBondContact O-N 3.5Å; Q129-Q131 PolarHBondContact O-N 2.62Å; Q131-V133 PolarHBondContact O-N 3.32Å; Q131-S174 PolarHBondContact O-OG 3.1Å
132	L	83.9	Confident	65.4	Low	50 Å²	50	65.4 Å²	65.4	26%	0.262	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	124.1	169.5	-70.9	173.7	0	0	0	113	G130 V172 N173 W278	G130-L132 PolarHBondContact O-N 3.09Å; L132-V172 WeakPolarHBondContact CA-O 3.44Å; L132-N173 HydrophobicContact CD2-CB 4.38Å; L132-W278 HydrophobicContact CD1-CB 3.64Å; L132-W278 HydrophobicContact CD1-CD2 4.47Å; L132-W278 HydrophobicContact CD1-CG 3.79Å; L132-W278 HydrophobicContact CD2-CB 4.04Å; L132-W278 HydrophobicContact CD2-CD2 3.65Å; L132-W278 HydrophobicContact CD2-CE3 3.59Å; L132-W278 HydrophobicContact CD2-CG 3.83Å; L132-W278 HydrophobicContact CD2-CZ3 4.4Å; L132-W278 HydrophobicContact CG-CG 4.49Å
133	V	89.2	Confident	67.2	Low	36 Å²	36	61.7 Å²	61.7	22%	0.218	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	144.9	178	-69.4	0	0	0	0	111.8	Q131 L135 Y171 V172	Q131-V133 PolarHBondContact O-N 3.32Å; V133-L135 PolarHBondContact O-N 3.06Å; V133-Y171 CarbonylContact O-C 3.29Å; V133-Y171 VanDerWaalsContact O-CA 3.23Å; V133-Y171 WeakPolarHBondContact O-CA 3.47Å; V133-V172 HydrophobicContact CG2-CG2 3.97Å; V133-V172 WeakPolarHBondContact CG2-O 3.5Å; V133-V172 PolarHBondContact N-O 2.84Å; V133-V172 PolarHBondContact O-N 2.96Å
134	P	91.2	Very high	69.4	Low	28 Å²	28	60.4 Å²	60.4	18%	0.182	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	130.4	-179.4	27.7	-34.3	0	0	0	111.3	Y136 S150 T168 G170 Y171	P134-Y136 HydrophobicContact CB-CE1 4Å; P134-Y136 HydrophobicContact CG-CE1 4.1Å; P134-Y136 HydrophobicContact CG-CE2 4.13Å; P134-Y136 VanDerWaalsContact CG-OH 3.32Å; P134-Y136 WeakPolarHBondContact CG-OH 3.16Å; P134-S150 WeakPolarHBondContact O-CA 3.31Å; P134-T168 HydrophobicContact CB-CG2 3.83Å; P134-G170 WeakPolarHBondContact CA-O 3.15Å; P134-Y171 HydrophobicContact CB-CD1 4.03Å; P134-Y171 HydrophobicContact CB-CE1 3.65Å; P134-Y171 HydrophobicContact CG-CE1 4.32Å
135	L	94.7	Very high	72	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	115.5	167.2	-175.2	61.8	0	0	0	108.2	V133 L148 T168 F169 G170 V172 V220	V133-L135 PolarHBondContact O-N 3.06Å; L135-L148 HydrophobicContact CD1-CB 4.02Å; L135-L148 HydrophobicContact CD2-CB 4.38Å; L135-L148 HydrophobicContact CD2-CD1 4.34Å; L135-L148 HydrophobicContact CG-CB 4.27Å; L135-T168 CarbonylContact O-C 3.37Å; L135-F169 HydrophobicContact CB-CB 4.42Å; L135-F169 HydrophobicContact CD2-CD1 3.88Å; L135-F169 HydrophobicContact CG-CB 4.32Å; L135-F169 VanDerWaalsContact O-CB 3.27Å; L135-F169 WeakPolarHBondContact O-CB 3.15Å; L135-F169 PolarHBondContact O-N 3.43Å; L135-G170 PolarHBondContact N-O 2.79Å; L135-V172 HydrophobicContact CB-CG1 4.17Å; L135-V172 HydrophobicContact CD2-CG1 3.83Å; L135-V172 HydrophobicContact CG-CG1 4.48Å; L135-V220 HydrophobicContact CD1-CG1 3.49Å; L135-V220 VanDerWaalsContact CD1-CG1 3.49Å
136	Y	94.8	Very high	74.9	Confident	38 Å²	38	55 Å²	55	15%	0.149	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	139.3	-180	-54.4	-70.5	0	0	0	111.2	P134 L148 T149 K155	P134-Y136 HydrophobicContact CB-CE1 4Å; P134-Y136 HydrophobicContact CG-CE1 4.1Å; P134-Y136 HydrophobicContact CG-CE2 4.13Å; P134-Y136 VanDerWaalsContact CG-OH 3.32Å; P134-Y136 WeakPolarHBondContact CG-OH 3.16Å; Y136-L148 WeakPolarHBondContact O-CA 3.47Å; Y136-T149 WeakPolarHBondContact CB-O 3.36Å; Y136-T149 VanDerWaalsContact CD2-O 3.28Å; Y136-T149 WeakPolarHBondContact CD2-O 3.28Å; Y136-T149 PolarHBondContact N-O 2.81Å; Y136-T149 PolarHBondContact O-N 3.48Å; Y136-K155 HydrophobicContact CD1-CD 4.04Å; Y136-K155 HydrophobicContact CD2-CB 4.37Å; Y136-K155 HydrophobicContact CD2-CD 3.7Å; Y136-K155 HydrophobicContact CD2-CG 4.47Å; Y136-K155 HydrophobicContact CE1-CD 4.32Å; Y136-K155 HydrophobicContact CE2-CD 4.01Å; Y136-K155 HydrophobicContact CG-CD 3.7Å
137	R	94.7	Very high	77.9	Confident	24 Å²	24	51.5 Å²	51.5	9%	0.091	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	108.6	175.8	178.2	168.6	59.9	161.1	3.1	110.6	M146 L148 L166 G167 F169 Y248 T249 E254	R137-M146 VanDerWaalsContact CD-SD 3.53Å; R137-M146 HydrophobicContact CG-CE 3.75Å; R137-M146 HydrophobicContact CG-CG 4.19Å; R137-M146 HydrophobicContact CG-SD 3.68Å; R137-L148 HydrophobicContact CB-CD2 3.91Å; R137-L148 HydrophobicContact CG-CD2 4.04Å; R137-L166 HydrophobicContact CB-CB 4.32Å; R137-L166 HydrophobicContact CG-CB 4.1Å; R137-L166 HydrophobicContact CG-CD1 4.21Å; R137-L166 WeakPolarHBondContact O-CA 3.2Å; R137-L166 WeakPolarHBondContact O-CB 3.35Å; R137-L166 PolarHBondContact O-N 3.42Å; R137-G167 PolarHBondContact N-O 3.47Å; R137-F169 HydrophobicContact CB-CB 4.24Å; R137-F169 HydrophobicContact CB-CD2 4.13Å; R137-F169 HydrophobicContact CG-CD2 4.44Å; R137-Y248 WeakPolarHBondContact CD-O 3.42Å; R137-Y248 PolarHBondContact NH1-O 3.43Å; R137-T249 PolarHBondContact NH1-OG1 2.89Å; R137-E254 IonicContact CZ-OE2 3.6Å; R137-E254 VanDerWaalsContact CZ-OE2 3.26Å; R137-E254 IonicContact NH1-OE1 2.71Å; R137-E254 IonicContact NH1-OE2 3.87Å; R137-E254 PolarHBondContact NH1-OE2 3.25Å; R137-E254 IonicContact NH2-OE1 2.72Å; R137-E254 IonicContact NH2-OE2 2.67Å; R137-E254 PolarHBondContact NH2-OE2 2.64Å
138	M	94.7	Very high	81.3	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	133.8	-179.6	-55.3	-56.5	-67.5	0	0	110.5	M146 V147 K155 L158 L159 Y163 K164 D165	M138-M146 CarbonylContact O-C 3.56Å; M138-M146 WeakPolarHBondContact O-CA 3.18Å; M138-M146 WeakPolarHBondContact O-CG 3.36Å; M138-V147 HydrophobicContact CB-CB 4.36Å; M138-V147 WeakPolarHBondContact CB-O 3.17Å; M138-V147 PolarHBondContact N-O 3Å; M138-V147 PolarHBondContact O-N 3.46Å; M138-K155 HydrophobicContact CE-CG 4.16Å; M138-K155 HydrophobicContact SD-CG 3.82Å; M138-L158 HydrophobicContact CB-CB 4.5Å; M138-L158 HydrophobicContact CB-CD1 4.1Å; M138-L158 HydrophobicContact CE-CB 4.09Å; M138-L158 HydrophobicContact CG-CB 4.34Å; M138-L158 HydrophobicContact CG-CD1 3.86Å; M138-L159 HydrophobicContact CE-CD2 3.8Å; M138-L159 HydrophobicContact CE-CG 3.77Å; M138-Y163 HydrophobicContact CB-CD1 4.12Å; M138-Y163 HydrophobicContact CB-CG 4.49Å; M138-K164 CarbonylContact C-O 3.57Å; M138-K164 WeakPolarHBondContact CA-O 2.99Å; M138-D165 HydrophobicContact CE-CB 4.11Å; M138-D165 HydrophobicContact SD-CB 3.96Å
139	Y	92.5	Very high	84.4	Confident	41 Å²	41	44.1 Å²	44.1	16%	0.161	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	126.3	-178.3	-179.3	-102.9	0	0	0	113.1	M146 K164 L166	Y139-M146 HydrophobicContact CD2-CB 4.19Å; Y139-M146 HydrophobicContact CD2-CG 4.07Å; Y139-K164 PolarHBondContact N-O 2.88Å; Y139-K164 PolarHBondContact O-N 2.83Å; Y139-L166 HydrophobicContact CG-CD1 4.26Å
140	H	90.2	Very high	87.3	Confident	39 Å²	39	36 Å²	36	18%	0.181	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	111.1	176.7	-176.9	-39.8	0	0	0	110.9	G142 K143 K144 S145 A161 Y163	H140-G142 PolarHBondContact ND1-N 3.32Å; H140-G142 PolarHBondContact O-N 3.37Å; H140-K143 HydrophobicContact CB-CB 4.24Å; H140-K143 PolarHBondContact ND1-N 3.36Å; H140-K143 PolarHBondContact O-N 2.85Å; H140-K144 WeakPolarHBondContact O-CA 3.06Å; H140-K144 PolarHBondContact O-N 3.01Å; H140-S145 PolarHBondContact N-O 3.02Å; H140-S145 PolarHBondContact O-N 3.17Å; H140-A161 PolarHBondContact CD2-O 3.01Å; H140-Y163 HydrophobicContact CB-CD1 3.6Å; H140-Y163 HydrophobicContact CB-CD2 3.91Å; H140-Y163 HydrophobicContact CB-CE1 3.54Å; H140-Y163 HydrophobicContact CB-CE2 3.85Å; H140-Y163 HydrophobicContact CB-CG 3.77Å; H140-Y163 AromaticContact CD2-CD2 3.98Å; H140-Y163 AromaticContact CD2-CE2 3.77Å
141	E	83.7	Confident	89.2	Confident	102 Å²	102	38.3 Å²	38.3	48%	0.477	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-57.9	-175.9	-160.2	74.3	-117.3	0	0	113.4	K143 K144 K164	E141-K143 PolarHBondContact O-N 2.89Å; E141-K144 PolarHBondContact O-N 2.75Å; E141-K164 IonicContact OE2-NZ 2.62Å; E141-K164 PolarHBondContact OE2-NZ 3.25Å
142	G	82.7	Confident	90.2	Very high	71 Å²	71	38.8 Å²	38.8	73%	0.732	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-35.8	-177.2	0	0	0	0	0	114.6	H140 K144	H140-G142 PolarHBondContact ND1-N 3.32Å; H140-G142 PolarHBondContact O-N 3.37Å; G142-K144 VanDerWaalsContact C-N 3.33Å
143	K	82.9	Confident	90.4	Very high	66 Å²	66	44 Å²	44	29%	0.287	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-14.4	172.3	-69.2	-172.8	171.1	-165.2	0	113.1	H140 E141 S145 D194 R245	H140-K143 HydrophobicContact CB-CB 4.24Å; H140-K143 PolarHBondContact ND1-N 3.36Å; H140-K143 PolarHBondContact O-N 2.85Å; E141-K143 PolarHBondContact O-N 2.89Å; K143-S145 PolarHBondContact O-N 2.86Å; K143-S145 VanDerWaalsContact O-N 3.16Å; K143-D194 PolarHBondContact NZ-O 3.16Å; K143-R245 PolarHBondContact O-NH1 3.46Å
144	K	83.2	Confident	90.5	Very high	90 Å²	90	44.7 Å²	44.7	39%	0.391	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	42	39.3	-161.7	-56.5	-176.1	178.3	-176.3	0	112.6	H140 E141 G142 R245	H140-K144 WeakPolarHBondContact O-CA 3.06Å; H140-K144 PolarHBondContact O-N 3.01Å; E141-K144 PolarHBondContact O-N 2.75Å; G142-K144 VanDerWaalsContact C-N 3.33Å; K144-R245 WeakPolarHBondContact O-CD 3.42Å
145	S	87	Confident	90.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138.3	-169.7	-174.5	0	0	0	0	109.6	H140 K143 L195	H140-S145 PolarHBondContact N-O 3.02Å; H140-S145 PolarHBondContact O-N 3.17Å; K143-S145 PolarHBondContact O-N 2.86Å; K143-S145 VanDerWaalsContact O-N 3.16Å; S145-L195 WeakPolarHBondContact CB-O 3.48Å; S145-L195 PolarHBondContact OG-O 3.2Å
146	M	92	Very high	90.3	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.015	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	147.2	-178.3	-145.9	-179.4	84.9	0	0	110.9	R137 M138 Y139 L148 N197 F247 Y248	R137-M146 VanDerWaalsContact CD-SD 3.53Å; R137-M146 HydrophobicContact CG-CE 3.75Å; R137-M146 HydrophobicContact CG-CG 4.19Å; R137-M146 HydrophobicContact CG-SD 3.68Å; M138-M146 CarbonylContact O-C 3.56Å; M138-M146 WeakPolarHBondContact O-CA 3.18Å; M138-M146 WeakPolarHBondContact O-CG 3.36Å; Y139-M146 HydrophobicContact CD2-CB 4.19Å; Y139-M146 HydrophobicContact CD2-CG 4.07Å; M146-L148 HydrophobicContact CE-CD2 3.6Å; M146-L148 HydrophobicContact CE-CG 4.01Å; M146-N197 PolarHBondContact O-ND2 2.83Å; M146-F247 HydrophobicContact SD-CD2 3.94Å; M146-F247 HydrophobicContact SD-CE2 4.17Å; M146-Y248 HydrophobicContact CE-CD2 3.88Å; M146-Y248 HydrophobicContact CE-CG 4.25Å; M146-Y248 WeakPolarHBondContact CE-O 3.48Å
147	V	93.9	Very high	90.2	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.03	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	128.1	174.9	178.3	0	0	0	0	108.2	M138 L158 Y163 N197 Y199	M138-V147 HydrophobicContact CB-CB 4.36Å; M138-V147 WeakPolarHBondContact CB-O 3.17Å; M138-V147 PolarHBondContact N-O 3Å; M138-V147 PolarHBondContact O-N 3.46Å; V147-L158 HydrophobicContact CB-CD1 4.02Å; V147-L158 HydrophobicContact CG1-CD1 3.66Å; V147-L158 HydrophobicContact CG2-CD2 4.21Å; V147-Y163 HydrophobicContact CG2-CD1 4.47Å; V147-Y163 HydrophobicContact CG2-CE1 3.8Å; V147-N197 WeakPolarHBondContact CG2-ND2 3.49Å; V147-Y199 WeakPolarHBondContact CA-OH 3.38Å
148	L	96.1	Very high	90.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129.6	166.9	-60.5	179.6	0	0	0	108.5	L135 Y136 R137 M146 F169 Y199 Y248 F275	L135-L148 HydrophobicContact CD1-CB 4.02Å; L135-L148 HydrophobicContact CD2-CB 4.38Å; L135-L148 HydrophobicContact CD2-CD1 4.34Å; L135-L148 HydrophobicContact CG-CB 4.27Å; Y136-L148 WeakPolarHBondContact O-CA 3.47Å; R137-L148 HydrophobicContact CB-CD2 3.91Å; R137-L148 HydrophobicContact CG-CD2 4.04Å; M146-L148 HydrophobicContact CE-CD2 3.6Å; M146-L148 HydrophobicContact CE-CG 4.01Å; L148-F169 HydrophobicContact CD1-CE1 4.24Å; L148-F169 HydrophobicContact CD1-CZ 4.28Å; L148-F169 HydrophobicContact CD2-CB 4.35Å; L148-F169 HydrophobicContact CD2-CD1 4.48Å; L148-F169 HydrophobicContact CD2-CD2 3.82Å; L148-F169 HydrophobicContact CD2-CE2 4.14Å; L148-F169 HydrophobicContact CD2-CG 3.99Å; L148-Y199 HydrophobicContact CB-CD1 4.38Å; L148-Y199 HydrophobicContact CB-CD2 4.32Å; L148-Y199 HydrophobicContact CB-CE1 3.97Å; L148-Y199 HydrophobicContact CB-CE2 3.93Å; L148-Y199 HydrophobicContact CD1-CD2 3.88Å; L148-Y199 HydrophobicContact CD1-CE2 4.19Å; L148-Y199 HydrophobicContact CD1-CG 4.24Å; L148-Y199 HydrophobicContact CG-CD2 4.15Å; L148-Y199 HydrophobicContact CG-CE2 3.92Å; L148-Y199 PolarHBondContact N-OH 3.23Å; L148-Y199 PolarHBondContact O-OH 2.87Å; L148-Y248 HydrophobicContact CD1-CG 4.31Å; L148-F275 HydrophobicContact CD1-CZ 4.02Å
149	T	94.7	Very high	90	Very high	6 Å²	6	56.3 Å²	56.3	4%	0.037	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	138.1	174.7	-166.4	0	0	0	0	113.6	Y136 N151 K154 K155 L158	Y136-T149 WeakPolarHBondContact CB-O 3.36Å; Y136-T149 VanDerWaalsContact CD2-O 3.28Å; Y136-T149 WeakPolarHBondContact CD2-O 3.28Å; Y136-T149 PolarHBondContact N-O 2.81Å; Y136-T149 PolarHBondContact O-N 3.48Å; T149-N151 PolarHBondContact OG1-N 2.81Å; T149-K154 HydrophobicContact CG2-CB 4.27Å; T149-K154 HydrophobicContact CG2-CD 4.44Å; T149-K154 HydrophobicContact CG2-CG 4.45Å; T149-K155 HydrophobicContact CG2-CB 4.29Å; T149-L158 HydrophobicContact CG2-CD1 4.18Å
150	S	93.1	Very high	89.9	Confident	33 Å²	33	59.1 Å²	59.1	23%	0.231	30%	0.304	C	S	.	.			trans	-86.4	-18.5	170.1	57.5	0	0	0	0	112.8	P134 K152 V220	P134-S150 WeakPolarHBondContact O-CA 3.31Å; S150-K152 PolarHBondContact O-N 3.26Å; S150-V220 VanDerWaalsContact CB-O 3.31Å; S150-V220 WeakPolarHBondContact CB-O 3.43Å; S150-V220 PolarHBondContact OG-O 2.87Å
151	N	90.8	Very high	89.9	Confident	84 Å²	84	59.5 Å²	59.5	45%	0.449	31%	0.314	S	S	.	.			trans	-80.3	115.6	-173.6	-177.7	-29.7	0	0	0	110.3	T149 W153 K154 K155	T149-N151 PolarHBondContact OG1-N 2.81Å; N151-W153 VanDerWaalsContact C-N 3.31Å; N151-W153 PolarHBondContact O-N 3.25Å; N151-W153 WeakPolarHBondContact OD1-CA 3.31Å; N151-W153 WeakPolarHBondContact OD1-CB 3.4Å; N151-W153 PolarHBondContact OD1-N 2.64Å; N151-K154 HydrophobicContact CB-CB 3.99Å; N151-K154 PolarHBondContact O-N 3.36Å; N151-K154 PolarHBondContact OD1-N 2.82Å; N151-K155 PolarHBondContact O-N 2.96Å
152	K	88.8	Confident	90.3	Very high	99 Å²	99	60.9 Å²	60.9	43%	0.43	33%	0.325	S	S	.	.	H	α-helix	trans	-54.9	-43.4	177.8	-62	-179	-175.3	177.7	0	112.7	D123 S150 K155 E156	D123-K152 IonicContact OD1-NZ 3.47Å; D123-K152 PolarHBondContact OD1-NZ 3.1Å; D123-K152 IonicContact OD2-NZ 2.64Å; D123-K152 PolarHBondContact OD2-NZ 3.05Å; S150-K152 PolarHBondContact O-N 3.26Å; K152-K155 VanDerWaalsContact O-CB 3.3Å; K152-K155 WeakPolarHBondContact O-CB 3.48Å; K152-K155 PolarHBondContact O-N 2.6Å; K152-E156 WeakPolarHBondContact O-CG 3.49Å; K152-E156 PolarHBondContact O-N 2.78Å
153	W	88.2	Confident	90.8	Very high	158 Å²	158	58.2 Å²	58.2	60%	0.598	29%	0.293	S	S	*	.	H	α-helix	trans	-67	-42.5	-179.6	-178	-110.8	0	0	0	111.3	N151 K155 E156 Q157	N151-W153 VanDerWaalsContact C-N 3.31Å; N151-W153 PolarHBondContact O-N 3.25Å; N151-W153 WeakPolarHBondContact OD1-CA 3.31Å; N151-W153 WeakPolarHBondContact OD1-CB 3.4Å; N151-W153 PolarHBondContact OD1-N 2.64Å; W153-K155 VanDerWaalsContact C-N 3.29Å; W153-K155 PolarHBondContact O-N 2.95Å; W153-E156 PolarHBondContact O-N 3.42Å; W153-Q157 VanDerWaalsContact NE1-NE2 3.13Å; W153-Q157 WeakPolarHBondContact O-CG 3.32Å; W153-Q157 PolarHBondContact O-N 2.73Å
154	K	90.8	Very high	91.3	Very high	52 Å²	52	60.1 Å²	60.1	23%	0.226	30%	0.301	C	S	.	.	H	α-helix	trans	-62.2	-37.9	172.7	-165.3	-176	179.9	-166.8	0	111.2	T149 N151 Q157 L158 E188	T149-K154 HydrophobicContact CG2-CB 4.27Å; T149-K154 HydrophobicContact CG2-CD 4.44Å; T149-K154 HydrophobicContact CG2-CG 4.45Å; N151-K154 HydrophobicContact CB-CB 3.99Å; N151-K154 PolarHBondContact O-N 3.36Å; N151-K154 PolarHBondContact OD1-N 2.82Å; K154-Q157 PolarHBondContact O-N 2.95Å; K154-L158 HydrophobicContact CG-CD1 4.11Å; K154-L158 WeakPolarHBondContact O-CB 3.42Å; K154-L158 WeakPolarHBondContact O-CD1 3.03Å; K154-L158 WeakPolarHBondContact O-CG 3.19Å; K154-L158 PolarHBondContact O-N 3.46Å; K154-E188 IonicContact NZ-OE1 2.69Å; K154-E188 PolarHBondContact NZ-OE1 3.17Å; K154-E188 IonicContact NZ-OE2 3.85Å; K154-E188 PolarHBondContact NZ-OE2 3.3Å
155	K	91.4	Very high	91.8	Very high	31 Å²	31	59 Å²	59	14%	0.135	30%	0.299	C	S	.	.	H	α-helix	trans	-60.6	-46.3	173.1	-178.1	-174.1	-171.9	170.5	0	112	Y136 M138 T149 N151 K152 W153 L158 L159 D165	Y136-K155 HydrophobicContact CD1-CD 4.04Å; Y136-K155 HydrophobicContact CD2-CB 4.37Å; Y136-K155 HydrophobicContact CD2-CD 3.7Å; Y136-K155 HydrophobicContact CD2-CG 4.47Å; Y136-K155 HydrophobicContact CE1-CD 4.32Å; Y136-K155 HydrophobicContact CE2-CD 4.01Å; Y136-K155 HydrophobicContact CG-CD 3.7Å; M138-K155 HydrophobicContact CE-CG 4.16Å; M138-K155 HydrophobicContact SD-CG 3.82Å; T149-K155 HydrophobicContact CG2-CB 4.29Å; N151-K155 PolarHBondContact O-N 2.96Å; K152-K155 VanDerWaalsContact O-CB 3.3Å; K152-K155 WeakPolarHBondContact O-CB 3.48Å; K152-K155 PolarHBondContact O-N 2.6Å; W153-K155 VanDerWaalsContact C-N 3.29Å; W153-K155 PolarHBondContact O-N 2.95Å; K155-L158 PolarHBondContact O-N 3.33Å; K155-L159 HydrophobicContact CG-CD1 4.38Å; K155-L159 WeakPolarHBondContact O-CG 3.46Å; K155-L159 PolarHBondContact O-N 3.43Å; K155-D165 VanDerWaalsContact CE-CG 3.45Å; K155-D165 WeakPolarHBondContact CE-OD2 3.3Å; K155-D165 IonicContact NZ-OD1 2.66Å; K155-D165 IonicContact NZ-OD2 2.57Å; K155-D165 PolarHBondContact NZ-OD2 3.17Å
156	E	91.1	Very high	92.1	Very high	112 Å²	112	62.4 Å²	62.4	52%	0.523	32%	0.317	S	S	.	.	H	α-helix	trans	-65	-40	178.8	-72.9	166.4	-170.6	0	0	112.2	K152 W153 L159 S160	K152-E156 WeakPolarHBondContact O-CG 3.49Å; K152-E156 PolarHBondContact O-N 2.78Å; W153-E156 PolarHBondContact O-N 3.42Å; E156-L159 PolarHBondContact O-N 2.86Å; E156-S160 PolarHBondContact O-N 3.41Å; E156-S160 VanDerWaalsContact O-N 3.1Å
157	Q	91.3	Very high	92.1	Very high	91 Å²	91	63.6 Å²	63.6	43%	0.425	33%	0.33	S	S	.	.	H	α-helix	trans	-61.4	-42.2	169.7	-70.4	-177.6	-3.2	0	0	112.4	W153 K154 S160 A161	W153-Q157 VanDerWaalsContact NE1-NE2 3.13Å; W153-Q157 WeakPolarHBondContact O-CG 3.32Å; W153-Q157 PolarHBondContact O-N 2.73Å; K154-Q157 PolarHBondContact O-N 2.95Å; Q157-S160 PolarHBondContact O-N 2.86Å; Q157-S160 PolarHBondContact O-OG 3.02Å; Q157-A161 WeakPolarHBondContact O-CB 3.49Å; Q157-A161 PolarHBondContact O-N 2.7Å
158	L	92.4	Very high	91.9	Very high	19 Å²	19	65.6 Å²	65.6	10%	0.099	34%	0.343	C	S	.	.	H	α-helix	trans	-66.9	-37.2	178.5	-72.9	164.3	0	0	0	112	M138 V147 T149 K154 K155 A161 N162 Y163	M138-L158 HydrophobicContact CB-CB 4.5Å; M138-L158 HydrophobicContact CB-CD1 4.1Å; M138-L158 HydrophobicContact CE-CB 4.09Å; M138-L158 HydrophobicContact CG-CB 4.34Å; M138-L158 HydrophobicContact CG-CD1 3.86Å; V147-L158 HydrophobicContact CB-CD1 4.02Å; V147-L158 HydrophobicContact CG1-CD1 3.66Å; V147-L158 HydrophobicContact CG2-CD2 4.21Å; T149-L158 HydrophobicContact CG2-CD1 4.18Å; K154-L158 HydrophobicContact CG-CD1 4.11Å; K154-L158 WeakPolarHBondContact O-CB 3.42Å; K154-L158 WeakPolarHBondContact O-CD1 3.03Å; K154-L158 WeakPolarHBondContact O-CG 3.19Å; K154-L158 PolarHBondContact O-N 3.46Å; K155-L158 PolarHBondContact O-N 3.33Å; L158-A161 CarbonylContact O-C 3.57Å; L158-A161 WeakPolarHBondContact O-CA 3.5Å; L158-A161 PolarHBondContact O-N 3.06Å; L158-A161 VanDerWaalsContact O-N 3.17Å; L158-N162 PolarHBondContact O-N 2.81Å; L158-Y163 HydrophobicContact CB-CD2 4.26Å; L158-Y163 HydrophobicContact CB-CG 4.16Å; L158-Y163 HydrophobicContact CD2-CD1 4.13Å; L158-Y163 HydrophobicContact CD2-CD2 3.69Å; L158-Y163 HydrophobicContact CD2-CE1 4.17Å; L158-Y163 HydrophobicContact CD2-CE2 3.73Å; L158-Y163 HydrophobicContact CD2-CG 3.93Å; L158-Y163 WeakPolarHBondContact O-CB 3.46Å; L158-Y163 WeakPolarHBondContact O-CD2 3.42Å; L158-Y163 PolarHBondContact O-N 3.06Å
159	L	92.3	Very high	91.8	Very high	81 Å²	81	65.7 Å²	65.7	42%	0.424	34%	0.343	S	S	.	.	H	α-helix	trans	-60.8	-43.8	172.2	-74.3	167.6	0	0	0	111.6	M138 K155 E156 A161 N162 D165	M138-L159 HydrophobicContact CE-CD2 3.8Å; M138-L159 HydrophobicContact CE-CG 3.77Å; K155-L159 HydrophobicContact CG-CD1 4.38Å; K155-L159 WeakPolarHBondContact O-CG 3.46Å; K155-L159 PolarHBondContact O-N 3.43Å; E156-L159 PolarHBondContact O-N 2.86Å; L159-A161 PolarHBondContact O-N 3.39Å; L159-N162 PolarHBondContact O-N 3.37Å; L159-D165 HydrophobicContact CD2-CB 4.29Å
160	S	91.2	Very high	91.7	Very high	100 Å²	100	65.4 Å²	65.4	70%	0.699	34%	0.341	S	S	*	.	H	α-helix	trans	-67.9	-24.9	175.2	77.2	0	0	0	0	113	E156 Q157 N162	E156-S160 PolarHBondContact O-N 3.41Å; E156-S160 VanDerWaalsContact O-N 3.1Å; Q157-S160 PolarHBondContact O-N 2.86Å; Q157-S160 PolarHBondContact O-OG 3.02Å; S160-N162 VanDerWaalsContact C-N 3.3Å; S160-N162 PolarHBondContact O-N 3.31Å
161	A	90.4	Very high	91.6	Very high	47 Å²	47	65.7 Å²	65.7	39%	0.388	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	22.8	173.2	0	0	0	0	0	114.6	H140 Q157 L158 L159 Y163	H140-A161 PolarHBondContact CD2-O 3.01Å; Q157-A161 WeakPolarHBondContact O-CB 3.49Å; Q157-A161 PolarHBondContact O-N 2.7Å; L158-A161 CarbonylContact O-C 3.57Å; L158-A161 WeakPolarHBondContact O-CA 3.5Å; L158-A161 PolarHBondContact O-N 3.06Å; L158-A161 VanDerWaalsContact O-N 3.17Å; L159-A161 PolarHBondContact O-N 3.39Å; A161-Y163 VanDerWaalsContact C-N 3.3Å; A161-Y163 HydrophobicContact CB-CD2 4.19Å; A161-Y163 HydrophobicContact CB-CE2 4.39Å; A161-Y163 PolarHBondContact O-N 2.69Å
162	N	92.1	Very high	91.7	Very high	130 Å²	130	61.7 Å²	61.7	70%	0.695	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	22.4	178.4	-63	-56.9	0	0	0	116.2	L158 L159 S160	L158-N162 PolarHBondContact O-N 2.81Å; L159-N162 PolarHBondContact O-N 3.37Å; S160-N162 VanDerWaalsContact C-N 3.3Å; S160-N162 PolarHBondContact O-N 3.31Å
163	Y	93.5	Very high	91.7	Very high	15 Å²	15	57.4 Å²	57.4	6%	0.059	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-77.8	135.7	164.8	-70.1	-113	0	0	0	109.7	M138 H140 V147 L158 A161	M138-Y163 HydrophobicContact CB-CD1 4.12Å; M138-Y163 HydrophobicContact CB-CG 4.49Å; H140-Y163 HydrophobicContact CB-CD1 3.6Å; H140-Y163 HydrophobicContact CB-CD2 3.91Å; H140-Y163 HydrophobicContact CB-CE1 3.54Å; H140-Y163 HydrophobicContact CB-CE2 3.85Å; H140-Y163 HydrophobicContact CB-CG 3.77Å; H140-Y163 AromaticContact CD2-CD2 3.98Å; H140-Y163 AromaticContact CD2-CE2 3.77Å; V147-Y163 HydrophobicContact CG2-CD1 4.47Å; V147-Y163 HydrophobicContact CG2-CE1 3.8Å; L158-Y163 HydrophobicContact CB-CD2 4.26Å; L158-Y163 HydrophobicContact CB-CG 4.16Å; L158-Y163 HydrophobicContact CD2-CD1 4.13Å; L158-Y163 HydrophobicContact CD2-CD2 3.69Å; L158-Y163 HydrophobicContact CD2-CE1 4.17Å; L158-Y163 HydrophobicContact CD2-CE2 3.73Å; L158-Y163 HydrophobicContact CD2-CG 3.93Å; L158-Y163 WeakPolarHBondContact O-CB 3.46Å; L158-Y163 WeakPolarHBondContact O-CD2 3.42Å; L158-Y163 PolarHBondContact O-N 3.06Å; A161-Y163 VanDerWaalsContact C-N 3.3Å; A161-Y163 HydrophobicContact CB-CD2 4.19Å; A161-Y163 HydrophobicContact CB-CE2 4.39Å; A161-Y163 PolarHBondContact O-N 2.69Å
164	K	94	Very high	91.6	Very high	107 Å²	107	52.4 Å²	52.4	47%	0.465	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	136.3	168.8	-61.3	173.2	179.4	176	0	109.2	M138 Y139 E141 L166	M138-K164 CarbonylContact C-O 3.57Å; M138-K164 WeakPolarHBondContact CA-O 2.99Å; Y139-K164 PolarHBondContact N-O 2.88Å; Y139-K164 PolarHBondContact O-N 2.83Å; E141-K164 IonicContact OE2-NZ 2.62Å; E141-K164 PolarHBondContact OE2-NZ 3.25Å; K164-L166 HydrophobicContact CB-CD2 4.32Å; K164-L166 PolarHBondContact O-N 2.7Å
165	D	93.8	Very high	91.1	Very high	67 Å²	67	54.3 Å²	54.3	36%	0.358	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	116.8	163.9	-176.2	13.3	0	0	0	109	M138 K155 L159 G167	M138-D165 HydrophobicContact CE-CB 4.11Å; M138-D165 HydrophobicContact SD-CB 3.96Å; K155-D165 VanDerWaalsContact CE-CG 3.45Å; K155-D165 WeakPolarHBondContact CE-OD2 3.3Å; K155-D165 IonicContact NZ-OD1 2.66Å; K155-D165 IonicContact NZ-OD2 2.57Å; K155-D165 PolarHBondContact NZ-OD2 3.17Å; L159-D165 HydrophobicContact CD2-CB 4.29Å; D165-G167 VanDerWaalsContact C-N 3.28Å; D165-G167 WeakPolarHBondContact OD1-CA 3Å; D165-G167 PolarHBondContact OD1-N 2.68Å
166	L	92.6	Very high	90.5	Very high	70 Å²	70	57.3 Å²	57.3	37%	0.366	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	12.3	172.8	-55.2	-172.9	0	0	0	111.9	R137 Y139 K164	R137-L166 HydrophobicContact CB-CB 4.32Å; R137-L166 HydrophobicContact CG-CB 4.1Å; R137-L166 HydrophobicContact CG-CD1 4.21Å; R137-L166 WeakPolarHBondContact O-CA 3.2Å; R137-L166 WeakPolarHBondContact O-CB 3.35Å; R137-L166 PolarHBondContact O-N 3.42Å; Y139-L166 HydrophobicContact CG-CD1 4.26Å; K164-L166 HydrophobicContact CB-CD2 4.32Å; K164-L166 PolarHBondContact O-N 2.7Å
167	G	91.1	Very high	89.6	Confident	28 Å²	28	54 Å²	54	29%	0.289	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	92.9	-174.1	177	0	0	0	0	0	113.9	R137 D165 F169	R137-G167 PolarHBondContact N-O 3.47Å; D165-G167 VanDerWaalsContact C-N 3.28Å; D165-G167 WeakPolarHBondContact OD1-CA 3Å; D165-G167 PolarHBondContact OD1-N 2.68Å; G167-F169 PolarHBondContact O-N 3.44Å
168	T	91.2	Very high	88.6	Confident	48 Å²	48	56.7 Å²	56.7	29%	0.294	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	113.3	174.4	-55.5	0	0	0	0	109.5	P134 L135 G170 Y171	P134-T168 HydrophobicContact CB-CG2 3.83Å; L135-T168 CarbonylContact O-C 3.37Å; T168-G170 WeakPolarHBondContact CG2-O 3.15Å; T168-G170 PolarHBondContact O-N 2.72Å; T168-Y171 HydrophobicContact CG2-CD2 4.27Å; T168-Y171 HydrophobicContact CG2-CE2 3.71Å
169	F	93.1	Very high	87.5	Confident	2 Å²	2	63 Å²	63	1%	0.009	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	-37.6	170.9	-166.2	-105	0	0	0	111	L135 R137 L148 G167 A236 S250 F275 L277	L135-F169 HydrophobicContact CB-CB 4.42Å; L135-F169 HydrophobicContact CD2-CD1 3.88Å; L135-F169 HydrophobicContact CG-CB 4.32Å; L135-F169 VanDerWaalsContact O-CB 3.27Å; L135-F169 WeakPolarHBondContact O-CB 3.15Å; L135-F169 PolarHBondContact O-N 3.43Å; R137-F169 HydrophobicContact CB-CB 4.24Å; R137-F169 HydrophobicContact CB-CD2 4.13Å; R137-F169 HydrophobicContact CG-CD2 4.44Å; L148-F169 HydrophobicContact CD1-CE1 4.24Å; L148-F169 HydrophobicContact CD1-CZ 4.28Å; L148-F169 HydrophobicContact CD2-CB 4.35Å; L148-F169 HydrophobicContact CD2-CD1 4.48Å; L148-F169 HydrophobicContact CD2-CD2 3.82Å; L148-F169 HydrophobicContact CD2-CE2 4.14Å; L148-F169 HydrophobicContact CD2-CG 3.99Å; G167-F169 PolarHBondContact O-N 3.44Å; F169-A236 HydrophobicContact CE1-CB 3.7Å; F169-A236 HydrophobicContact CZ-CB 3.85Å; F169-S250 WeakPolarHBondContact O-CB 3.46Å; F169-S250 PolarHBondContact O-OG 3.27Å; F169-F275 HydrophobicContact CE1-CE2 4.09Å; F169-F275 HydrophobicContact CE1-CZ 4.34Å; F169-L277 HydrophobicContact CD1-CD1 4.37Å; F169-L277 HydrophobicContact CD1-CD2 3.77Å; F169-L277 HydrophobicContact CE1-CD2 3.57Å
170	G	92.2	Very high	86.8	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.6	-146.7	173.6	0	0	0	0	0	107.6	P134 L135 T168 L277	P134-G170 WeakPolarHBondContact CA-O 3.15Å; L135-G170 PolarHBondContact N-O 2.79Å; T168-G170 WeakPolarHBondContact CG2-O 3.15Å; T168-G170 PolarHBondContact O-N 2.72Å; G170-L277 VanDerWaalsContact CA-CD1 3.45Å
171	Y	92.4	Very high	86.2	Confident	39 Å²	39	60.4 Å²	60.4	15%	0.153	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	138.3	-175.4	-62.5	-103.2	0	0	0	110.7	V133 P134 T168 L277 W278 K280	V133-Y171 CarbonylContact O-C 3.29Å; V133-Y171 VanDerWaalsContact O-CA 3.23Å; V133-Y171 WeakPolarHBondContact O-CA 3.47Å; P134-Y171 HydrophobicContact CB-CD1 4.03Å; P134-Y171 HydrophobicContact CB-CE1 3.65Å; P134-Y171 HydrophobicContact CG-CE1 4.32Å; T168-Y171 HydrophobicContact CG2-CD2 4.27Å; T168-Y171 HydrophobicContact CG2-CE2 3.71Å; Y171-L277 WeakPolarHBondContact O-CB 3.06Å; Y171-W278 WeakPolarHBondContact CB-O 3.15Å; Y171-W278 PolarHBondContact N-O 3.13Å; Y171-W278 PolarHBondContact O-N 2.87Å; Y171-K280 HydrophobicContact CD1-CB 3.9Å; Y171-K280 HydrophobicContact CD1-CD 3.96Å; Y171-K280 HydrophobicContact CD2-CB 3.51Å; Y171-K280 VanDerWaalsContact CD2-N 3.31Å; Y171-K280 HydrophobicContact CE1-CB 3.67Å; Y171-K280 HydrophobicContact CE1-CD 3.38Å; Y171-K280 HydrophobicContact CE1-CG 4.21Å; Y171-K280 HydrophobicContact CE2-CB 3.26Å; Y171-K280 HydrophobicContact CE2-CD 4.45Å; Y171-K280 HydrophobicContact CE2-CG 4.5Å; Y171-K280 HydrophobicContact CG-CB 3.85Å
172	V	92.6	Very high	86	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	156.9	175.2	-62.1	0	0	0	0	108.9	L132 V133 L135 V223	L132-V172 WeakPolarHBondContact CA-O 3.44Å; V133-V172 HydrophobicContact CG2-CG2 3.97Å; V133-V172 WeakPolarHBondContact CG2-O 3.5Å; V133-V172 PolarHBondContact N-O 2.84Å; V133-V172 PolarHBondContact O-N 2.96Å; L135-V172 HydrophobicContact CB-CG1 4.17Å; L135-V172 HydrophobicContact CD2-CG1 3.83Å; L135-V172 HydrophobicContact CG-CG1 4.48Å; V172-V223 HydrophobicContact CB-CG1 4.24Å; V172-V223 HydrophobicContact CG1-CG1 3.6Å
173	N	88.7	Confident	85.8	Confident	9 Å²	9	54.2 Å²	54.2	5%	0.048	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	137.1	172	-162.2	-5.2	0	0	0	109	L132 Q175 D177 L183 G221 Y222	L132-N173 HydrophobicContact CD2-CB 4.38Å; N173-Q175 VanDerWaalsContact C-N 3.29Å; N173-Q175 PolarHBondContact ND2-O 3.03Å; N173-Q175 PolarHBondContact OD1-O 2.72Å; N173-D177 WeakPolarHBondContact ND2-CB 3.22Å; N173-L183 HydrophobicContact CB-CD2 4.16Å; N173-G221 CarbonylContact O-C 3.56Å; N173-G221 WeakPolarHBondContact O-CA 3.5Å; N173-Y222 PolarHBondContact N-O 3.48Å; N173-Y222 PolarHBondContact O-N 2.9Å
174	S	86.3	Confident	85.7	Confident	52 Å²	52	56.7 Å²	56.7	36%	0.364	31%	0.311	S	S	.	.	S	Bend	trans	-77.9	-19.1	-178.8	49.5	0	0	0	0	112.9	Q131	Q131-S174 PolarHBondContact O-OG 3.1Å
175	Q	80.3	Confident	85.6	Confident	93 Å²	93	53.3 Å²	53.3	44%	0.435	30%	0.301	S	S	.	.	S	Bend	trans	-138.5	167.6	-179.2	-60.9	-177.4	3.2	0	0	109.9	N173	N173-Q175 VanDerWaalsContact C-N 3.29Å; N173-Q175 PolarHBondContact ND2-O 3.03Å; N173-Q175 PolarHBondContact OD1-O 2.72Å
176	E	79.2	Confident	85.7	Confident	93 Å²	93	50.1 Å²	50.1	44%	0.435	28%	0.284	S	S	.	.			trans	-72.2	124.3	169.6	-156	173.5	139.4	0	0	109.5	Y222	E176-Y222 HydrophobicContact CB-CD1 4.07Å; E176-Y222 HydrophobicContact CB-CE1 3.55Å; E176-Y222 HydrophobicContact CB-CE2 4.41Å; E176-Y222 HydrophobicContact CG-CD1 4.07Å; E176-Y222 HydrophobicContact CG-CE1 3.69Å
177	D	70.6	Confident	85.8	Confident	43 Å²	43	48.5 Å²	48.5	23%	0.23	27%	0.274	C	S	.	.			trans	-108.8	111.9	178	-173	-9.6	0	0	0	110.6	N173 N179 C180 L183	N173-D177 WeakPolarHBondContact ND2-CB 3.22Å; D177-N179 PolarHBondContact O-N 3.44Å; D177-N179 VanDerWaalsContact O-N 3.1Å; D177-N179 WeakPolarHBondContact OD1-CB 3.12Å; D177-N179 PolarHBondContact OD1-N 2.81Å; D177-N179 PolarHBondContact OD1-ND2 2.97Å; D177-C180 PolarHBondContact O-N 3.4Å; D177-L183 HydrophobicContact CB-CD1 3.62Å
178	K	70.4	Confident	86	Confident	148 Å²	148	47.7 Å²	47.7	64%	0.643	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-12.3	-178.8	-58.5	-174	-178.4	-176.1	0	113.6	S56 C180	S56-K178 PolarHBondContact O-NZ 3.36Å; S56-K178 VanDerWaalsContact OG-CE 3.3Å; S56-K178 WeakPolarHBondContact OG-CE 3.37Å; K178-C180 PolarHBondContact O-N 3.18Å
179	N	70.4	Confident	86.1	Confident	151 Å²	151	47 Å²	47	81%	0.807	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-15.2	169.3	-59.5	-68.1	0	0	0	112.7	D177	D177-N179 PolarHBondContact O-N 3.44Å; D177-N179 VanDerWaalsContact O-N 3.1Å; D177-N179 WeakPolarHBondContact OD1-CB 3.12Å; D177-N179 PolarHBondContact OD1-N 2.81Å; D177-N179 PolarHBondContact OD1-ND2 2.97Å
180	C	76.8	Confident	86	Confident	13 Å²	13	46.9 Å²	46.9	9%	0.088	25%	0.254	C	S	.	.			trans	-125.4	93.9	-179.7	175.2	0	0	0	0	111.4	D177 K178 A182 L183 C230	D177-C180 PolarHBondContact O-N 3.4Å; K178-C180 PolarHBondContact O-N 3.18Å; C180-A182 PolarHBondContact O-N 2.81Å; C180-L183 HydrophobicContact CB-CD1 3.82Å; C180-L183 HydrophobicContact CB-CG 4Å; C180-L183 PolarHBondContact O-N 2.94Å; C180-L183 VanDerWaalsContact O-N 3.14Å; C180-L183 PolarHBondContact SG-N 3.28Å; C180-C230 HydrophobicContact CB-CB 3.75Å; C180-C230 WeakPolarHBondContact CB-SG 3.43Å; C180-C230 WeakPolarHBondContact SG-CB 3.17Å; C180-C230 CovalentContact SG-SG 2Å; C180-C230 PolarHBondContact SG-SG 3.08Å
181	A	79.2	Confident	85.8	Confident	113 Å²	113	49.4 Å²	49.4	93%	0.934	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-4.4	176.4	0	0	0	0	0	114.8
182	A	85.1	Confident	85.1	Confident	27 Å²	27	54.6 Å²	54.6	22%	0.223	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-7.8	175.3	0	0	0	0	0	113.7	C180 K184 V224 F229	C180-A182 PolarHBondContact O-N 2.81Å; A182-K184 PolarHBondContact O-N 2.76Å; A182-V224 HydrophobicContact CB-CG1 4.02Å; A182-F229 HydrophobicContact CB-CB 4.27Å; A182-F229 HydrophobicContact CB-CD1 3.89Å; A182-F229 HydrophobicContact CB-CG 4.41Å
183	L	87.7	Confident	84.4	Confident	21 Å²	21	60.6 Å²	60.6	11%	0.11	33%	0.325	C	S	.	.			trans	-66.5	128.3	176.7	-85	165.7	0	0	0	110.5	N173 D177 C180 V223 W278	N173-L183 HydrophobicContact CB-CD2 4.16Å; D177-L183 HydrophobicContact CB-CD1 3.62Å; C180-L183 HydrophobicContact CB-CD1 3.82Å; C180-L183 HydrophobicContact CB-CG 4Å; C180-L183 PolarHBondContact O-N 2.94Å; C180-L183 VanDerWaalsContact O-N 3.14Å; C180-L183 PolarHBondContact SG-N 3.28Å; L183-V223 CarbonylContact C-O 3.57Å; L183-V223 WeakPolarHBondContact CA-O 3.49Å; L183-W278 HydrophobicContact CD2-CH2 3.63Å; L183-W278 HydrophobicContact CD2-CZ2 4.49Å; L183-W278 HydrophobicContact CD2-CZ3 4.29Å
184	K	91.2	Very high	83.6	Confident	66 Å²	66	62.4 Å²	62.4	29%	0.287	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	147.2	171.2	-64.5	-178.8	-171.5	169	0	110.2	A182 L186 Y222 V223 D225	A182-K184 PolarHBondContact O-N 2.76Å; K184-L186 PolarHBondContact O-N 2.95Å; K184-Y222 CarbonylContact O-C 3.47Å; K184-Y222 VanDerWaalsContact O-CA 3.27Å; K184-Y222 WeakPolarHBondContact O-CA 2.97Å; K184-V223 PolarHBondContact N-O 2.86Å; K184-V223 PolarHBondContact O-N 3.4Å; K184-D225 WeakPolarHBondContact CD-OD1 3.26Å; K184-D225 WeakPolarHBondContact CE-OD1 3.13Å; K184-D225 VanDerWaalsContact CE-OD2 3.24Å; K184-D225 WeakPolarHBondContact CE-OD2 3.35Å; K184-D225 IonicContact NZ-OD1 2.71Å; K184-D225 PolarHBondContact NZ-OD1 2.03Å; K184-D225 IonicContact NZ-OD2 2.81Å; K184-D225 PolarHBondContact NZ-OD2 2.94Å
185	P	93.2	Very high	83.3	Confident	37 Å²	37	63 Å²	63	24%	0.24	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	131.9	170.1	28.3	-35.3	0	0	0	110.8	H187 T219 Y222	P185-H187 WeakPolarHBondContact CB-NE2 3.08Å; P185-H187 WeakPolarHBondContact CG-NE2 3.42Å; P185-H187 PolarHBondContact O-N 3.46Å; P185-T219 HydrophobicContact CB-CG2 3.66Å; P185-Y222 HydrophobicContact CB-CD1 4.17Å; P185-Y222 HydrophobicContact CB-CE1 4.05Å
186	L	96	Very high	83.7	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	101.3	171.1	-173.3	63.2	0	0	0	109.1	K184 T201 T219 V220 G221 V223 F275	K184-L186 PolarHBondContact O-N 2.95Å; L186-T201 HydrophobicContact CD1-CG2 3.94Å; L186-T219 WeakPolarHBondContact O-CA 3.48Å; L186-V220 PolarHBondContact O-N 2.8Å; L186-G221 PolarHBondContact N-O 2.92Å; L186-V223 HydrophobicContact CB-CG1 4.15Å; L186-V223 HydrophobicContact CB-CG2 3.9Å; L186-V223 HydrophobicContact CD1-CG2 4.15Å; L186-V223 HydrophobicContact CD2-CG1 4.06Å; L186-V223 HydrophobicContact CG-CG2 4.46Å; L186-F275 HydrophobicContact CD1-CD1 3.56Å; L186-F275 HydrophobicContact CD1-CE1 3.75Å; L186-F275 HydrophobicContact CD1-CG 4Å; L186-F275 HydrophobicContact CD1-CZ 4.29Å; L186-F275 HydrophobicContact CD2-CD1 4.43Å; L186-F275 HydrophobicContact CD2-CD2 4.2Å; L186-F275 HydrophobicContact CD2-CE1 4.1Å; L186-F275 HydrophobicContact CD2-CE2 3.82Å; L186-F275 HydrophobicContact CD2-CZ 3.78Å
187	H	94.5	Very high	84.3	Confident	35 Å²	35	54.5 Å²	54.5	16%	0.162	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	128	-177.1	-67.8	-74	0	0	0	111.5	P185 Y189 Y199 L200 M206 Y216 T219	P185-H187 WeakPolarHBondContact CB-NE2 3.08Å; P185-H187 WeakPolarHBondContact CG-NE2 3.42Å; P185-H187 PolarHBondContact O-N 3.46Å; H187-Y189 HydrophobicContact CB-CD2 4.27Å; H187-Y189 HydrophobicContact CB-CE2 3.92Å; H187-Y199 WeakPolarHBondContact O-CA 3.3Å; H187-L200 PolarHBondContact N-O 2.83Å; H187-L200 PolarHBondContact O-N 2.94Å; H187-M206 HydrophobicContact CB-CE 4.16Å; H187-M206 VanDerWaalsContact CD2-CE 3.46Å; H187-M206 WeakPolarHBondContact CD2-CE 3.39Å; H187-Y216 HydrophobicContact CB-CD2 4.2Å; H187-Y216 HydrophobicContact CB-CE2 3.69Å; H187-Y216 PolarHBondContact CE1-OH 3Å; H187-Y216 AromaticContact CG-CE2 3.78Å; H187-Y216 AromaticContact ND1-CE2 3.22Å; H187-Y216 WeakPolarHBondContact ND1-CE2 3.16Å; H187-Y216 AromaticContact ND1-CZ 3.36Å; H187-Y216 PolarHBondContact ND1-OH 2.72Å; H187-T219 PolarHBondContact CE1-OG1 2.84Å; H187-T219 VanDerWaalsContact CE1-OG1 3.28Å; H187-T219 PolarHBondContact ND1-OG1 2.83Å
188	E	95	Very high	85.4	Confident	11 Å²	11	52.5 Å²	52.5	5%	0.051	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	130.5	173.4	-178.4	176.7	-120.9	0	0	110.7	K154 Y199 Y216 R217 G218 V220	K154-E188 IonicContact NZ-OE1 2.69Å; K154-E188 PolarHBondContact NZ-OE1 3.17Å; K154-E188 IonicContact NZ-OE2 3.85Å; K154-E188 PolarHBondContact NZ-OE2 3.3Å; E188-Y199 HydrophobicContact CB-CD1 4Å; E188-Y199 HydrophobicContact CB-CE1 3.64Å; E188-Y199 HydrophobicContact CG-CD1 4.22Å; E188-Y199 HydrophobicContact CG-CE1 3.44Å; E188-Y199 VanDerWaalsContact CG-CE1 3.44Å; E188-Y199 WeakPolarHBondContact OE1-CE1 3.09Å; E188-Y199 PolarHBondContact OE1-OH 2.9Å; E188-Y216 WeakPolarHBondContact O-CD2 3.41Å; E188-R217 HydrophobicContact CB-CB 4.12Å; E188-R217 HydrophobicContact CG-CB 3.86Å; E188-R217 HydrophobicContact CG-CG 4.31Å; E188-R217 PolarHBondContact O-N 3.39Å; E188-R217 VanDerWaalsContact OE2-CB 3.31Å; E188-R217 WeakPolarHBondContact OE2-CB 3.5Å; E188-G218 PolarHBondContact N-O 2.99Å; E188-V220 HydrophobicContact CB-CG2 3.76Å
189	Y	93.8	Very high	86.6	Confident	34 Å²	34	45.5 Å²	45.5	13%	0.133	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	128.9	175.4	-85.2	-102.9	0	0	0	109.3	H187 N197 V198 L200 M206 V215 Y216	H187-Y189 HydrophobicContact CB-CD2 4.27Å; H187-Y189 HydrophobicContact CB-CE2 3.92Å; Y189-N197 CarbonylContact O-C 3.46Å; Y189-N197 WeakPolarHBondContact O-CA 3.43Å; Y189-V198 PolarHBondContact N-O 3.31Å; Y189-V198 PolarHBondContact O-N 3.31Å; Y189-L200 HydrophobicContact CD2-CD1 4.04Å; Y189-L200 HydrophobicContact CE2-CD1 4.47Å; Y189-L200 HydrophobicContact CG-CD1 4.35Å; Y189-M206 HydrophobicContact CE2-CB 4.25Å; Y189-M206 HydrophobicContact CE2-CG 3.74Å; Y189-V215 WeakPolarHBondContact CA-O 3.09Å; Y189-Y216 HydrophobicContact CD2-CD2 4.11Å; Y189-Y216 AromaticContact CE2-CD2 3.68Å; Y189-Y216 HydrophobicContact CE2-CD2 3.68Å; Y189-Y216 HydrophobicContact CE2-CG 4.35Å
190	S	91.6	Very high	87.8	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	138.9	-179.3	-179.3	0	0	0	0	111.3	D194 D196 N197 Y214 V215	S190-D194 PolarHBondContact OG-OD1 2.86Å; S190-D196 WeakPolarHBondContact CA-O 3.23Å; S190-D196 PolarHBondContact OG-O 3.44Å; S190-N197 WeakPolarHBondContact CB-OD1 3.42Å; S190-N197 PolarHBondContact OG-OD1 3.23Å; S190-Y214 WeakPolarHBondContact O-CA 3.42Å; S190-V215 PolarHBondContact N-O 2.85Å; S190-V215 PolarHBondContact O-N 2.66Å
191	L	87.7	Confident	88.5	Confident	53 Å²	53	39.1 Å²	39.1	28%	0.277	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	143.7	165.1	-88.8	164.4	0	0	0	109.9	N193 D194 D196 Y214	L191-N193 PolarHBondContact O-N 2.75Å; L191-D194 PolarHBondContact O-N 2.93Å; L191-D196 HydrophobicContact CD1-CB 4.38Å; L191-D196 PolarHBondContact N-O 2.95Å; L191-Y214 HydrophobicContact CB-CE1 4.42Å; L191-Y214 HydrophobicContact CD1-CE1 4.03Å; L191-Y214 HydrophobicContact CD1-CE2 4.01Å; L191-Y214 HydrophobicContact CD2-CD2 4.05Å; L191-Y214 HydrophobicContact CD2-CE2 3.98Å; L191-Y214 HydrophobicContact CD2-CG 4.48Å; L191-Y214 HydrophobicContact CG-CD1 3.98Å; L191-Y214 HydrophobicContact CG-CD2 3.97Å; L191-Y214 HydrophobicContact CG-CE1 3.69Å; L191-Y214 HydrophobicContact CG-CE2 3.7Å; L191-Y214 HydrophobicContact CG-CG 4.11Å
192	Q	77	Confident	88.9	Confident	147 Å²	147	36.2 Å²	36.2	69%	0.687	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-30.1	-174.9	-68	-177.1	-10.4	0	0	114.9	D194 V215	Q192-D194 VanDerWaalsContact C-N 3.32Å; Q192-D194 PolarHBondContact O-N 2.84Å; Q192-V215 HydrophobicContact CG-CG2 3.81Å
193	N	77.6	Confident	89	Confident	127 Å²	127	43.1 Å²	43.1	68%	0.679	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	2.7	179.4	-64	-22.5	0	0	0	114.7	L191 L195	L191-N193 PolarHBondContact O-N 2.75Å; N193-L195 HydrophobicContact CB-CD1 3.84Å; N193-L195 HydrophobicContact CB-CG 3.81Å; N193-L195 PolarHBondContact O-N 3.4Å
194	D	72.4	Confident	88.8	Confident	46 Å²	46	48.3 Å²	48.3	25%	0.246	24%	0.239	C	C	.	.	S	Bend	trans	46	48.6	-172.7	-63.9	-44.5	0	0	0	112.2	K143 S190 L191 Q192 R217	K143-D194 PolarHBondContact NZ-O 3.16Å; S190-D194 PolarHBondContact OG-OD1 2.86Å; L191-D194 PolarHBondContact O-N 2.93Å; Q192-D194 VanDerWaalsContact C-N 3.32Å; Q192-D194 PolarHBondContact O-N 2.84Å; D194-R217 IonicContact OD1-CZ 2.83Å; D194-R217 IonicContact OD1-NE 2.65Å; D194-R217 IonicContact OD1-NH2 3.92Å; D194-R217 PolarHBondContact OD1-NH2 3.08Å; D194-R217 IonicContact OD2-NH2 2.84Å; D194-R217 PolarHBondContact OD2-NH2 2.89Å
195	L	79.4	Confident	88.6	Confident	65 Å²	65	46.7 Å²	46.7	34%	0.34	24%	0.236	S	C	.	.	S	Bend	trans	-94.9	-32	176.4	-72.3	174.7	0	0	0	112.4	S145 N193	S145-L195 WeakPolarHBondContact CB-O 3.48Å; S145-L195 PolarHBondContact OG-O 3.2Å; N193-L195 HydrophobicContact CB-CD1 3.84Å; N193-L195 HydrophobicContact CB-CG 3.81Å; N193-L195 PolarHBondContact O-N 3.4Å
196	D	89.3	Confident	88.4	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	23%	0.231	C	C	.	.			trans	-148.1	149.5	-180	-165	43.1	0	0	0	111.5	S190 L191 Y214 R245 H246	S190-D196 WeakPolarHBondContact CA-O 3.23Å; S190-D196 PolarHBondContact OG-O 3.44Å; L191-D196 HydrophobicContact CD1-CB 4.38Å; L191-D196 PolarHBondContact N-O 2.95Å; D196-Y214 HydrophobicContact CB-CE1 4.43Å; D196-Y214 PolarHBondContact OD2-OH 3.36Å; D196-R245 HydrophobicContact CB-CG 4.37Å; D196-R245 WeakPolarHBondContact OD1-CA 3.27Å; D196-H246 PolarHBondContact OD1-N 2.96Å; D196-H246 IonicContact OD2-CE1 3.19Å; D196-H246 IonicContact OD2-CG 3.06Å; D196-H246 PolarHBondContact OD2-N 3.24Å; D196-H246 IonicContact OD2-ND1 2.64Å; D196-H246 PolarHBondContact OD2-ND1 3.28Å
197	N	91.8	Very high	87.9	Confident	6 Å²	6	52.5 Å²	52.5	3%	0.032	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.5	-179	-54.7	-93.9	0	0	0	110.5	M146 V147 Y189 S190 Y199	M146-N197 PolarHBondContact O-ND2 2.83Å; V147-N197 WeakPolarHBondContact CG2-ND2 3.49Å; Y189-N197 CarbonylContact O-C 3.46Å; Y189-N197 WeakPolarHBondContact O-CA 3.43Å; S190-N197 WeakPolarHBondContact CB-OD1 3.42Å; S190-N197 PolarHBondContact OG-OD1 3.23Å; N197-Y199 HydrophobicContact CB-CE2 3.9Å; N197-Y199 WeakPolarHBondContact CB-OH 3.49Å
198	V	94	Very high	87.5	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.012	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	140.8	-179.5	-166.9	0	0	0	0	109.2	Y189 L200 Y209 Y214 Y248	Y189-V198 PolarHBondContact N-O 3.31Å; Y189-V198 PolarHBondContact O-N 3.31Å; V198-L200 HydrophobicContact CG1-CD1 4.4Å; V198-L200 HydrophobicContact CG1-CD2 3.57Å; V198-L200 HydrophobicContact CG1-CG 3.9Å; V198-Y209 HydrophobicContact CG1-CD2 4.29Å; V198-Y209 HydrophobicContact CG1-CE1 4.33Å; V198-Y209 HydrophobicContact CG1-CE2 3.99Å; V198-Y209 HydrophobicContact CG2-CD1 4.07Å; V198-Y209 HydrophobicContact CG2-CE1 3.84Å; V198-Y214 HydrophobicContact CG2-CD1 3.92Å; V198-Y214 HydrophobicContact CG2-CE1 3.5Å; V198-Y214 VanDerWaalsContact CG2-CE1 3.5Å; V198-Y248 WeakPolarHBondContact CA-OH 3.44Å
199	Y	96	Very high	87.2	Confident	1 Å²	1	55 Å²	55	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	115.5	-176.8	-61.7	-81.8	0	0	0	108.8	V147 L148 H187 E188 N197 V220 Y248	V147-Y199 WeakPolarHBondContact CA-OH 3.38Å; L148-Y199 HydrophobicContact CB-CD1 4.38Å; L148-Y199 HydrophobicContact CB-CD2 4.32Å; L148-Y199 HydrophobicContact CB-CE1 3.97Å; L148-Y199 HydrophobicContact CB-CE2 3.93Å; L148-Y199 HydrophobicContact CD1-CD2 3.88Å; L148-Y199 HydrophobicContact CD1-CE2 4.19Å; L148-Y199 HydrophobicContact CD1-CG 4.24Å; L148-Y199 HydrophobicContact CG-CD2 4.15Å; L148-Y199 HydrophobicContact CG-CE2 3.92Å; L148-Y199 PolarHBondContact N-OH 3.23Å; L148-Y199 PolarHBondContact O-OH 2.87Å; H187-Y199 WeakPolarHBondContact O-CA 3.3Å; E188-Y199 HydrophobicContact CB-CD1 4Å; E188-Y199 HydrophobicContact CB-CE1 3.64Å; E188-Y199 HydrophobicContact CG-CD1 4.22Å; E188-Y199 HydrophobicContact CG-CE1 3.44Å; E188-Y199 VanDerWaalsContact CG-CE1 3.44Å; E188-Y199 WeakPolarHBondContact OE1-CE1 3.09Å; E188-Y199 PolarHBondContact OE1-OH 2.9Å; N197-Y199 HydrophobicContact CB-CE2 3.9Å; N197-Y199 WeakPolarHBondContact CB-OH 3.49Å; Y199-V220 HydrophobicContact CD1-CG2 3.95Å; Y199-V220 HydrophobicContact CE1-CG2 3.87Å; Y199-Y248 HydrophobicContact CD2-CD2 4.44Å; Y199-Y248 HydrophobicContact CD2-CE1 4.44Å; Y199-Y248 AromaticContact CD2-CE2 3.86Å; Y199-Y248 HydrophobicContact CD2-CE2 3.86Å; Y199-Y248 AromaticContact CD2-CZ 3.88Å; Y199-Y248 HydrophobicContact CE2-CE2 4.38Å; Y199-Y248 PolarHBondContact N-OH 2.85Å
200	L	93.8	Very high	86.9	Confident	11 Å²	11	55.1 Å²	55.1	6%	0.058	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	144.7	-163.9	-59.7	176.7	0	0	0	112.1	H187 Y189 V198 M206 Y209	H187-L200 PolarHBondContact N-O 2.83Å; H187-L200 PolarHBondContact O-N 2.94Å; Y189-L200 HydrophobicContact CD2-CD1 4.04Å; Y189-L200 HydrophobicContact CE2-CD1 4.47Å; Y189-L200 HydrophobicContact CG-CD1 4.35Å; V198-L200 HydrophobicContact CG1-CD1 4.4Å; V198-L200 HydrophobicContact CG1-CD2 3.57Å; V198-L200 HydrophobicContact CG1-CG 3.9Å; L200-M206 HydrophobicContact CB-CE 3.94Å; L200-M206 HydrophobicContact CB-CG 4.06Å; L200-M206 HydrophobicContact CD1-CG 4.01Å; L200-M206 WeakPolarHBondContact O-CE 3.19Å; L200-Y209 HydrophobicContact CD1-CD2 3.75Å; L200-Y209 HydrophobicContact CD1-CG 4.21Å; L200-Y209 HydrophobicContact CD2-CD2 4.13Å; L200-Y209 HydrophobicContact CD2-CE2 4.23Å
201	T	92.7	Very high	86.7	Confident	18 Å²	18	63 Å²	63	11%	0.11	32%	0.321	C	S	.	.			trans	-114.9	-20.6	177	60.3	0	0	0	0	113.7	L186 M206 V223 D225 F275	L186-T201 HydrophobicContact CD1-CG2 3.94Å; T201-M206 VanDerWaalsContact C-CE 3.4Å; T201-V223 HydrophobicContact CG2-CG2 3.5Å; T201-V223 VanDerWaalsContact CG2-CG2 3.5Å; T201-D225 PolarHBondContact OG1-OD1 3.44Å; T201-F275 HydrophobicContact CG2-CB 4.1Å
202	D	88.1	Confident	86.8	Confident	53 Å²	53	67.4 Å²	67.4	28%	0.283	33%	0.334	S	S	.	.	S	Bend	trans	-110.2	148.4	-175.8	85.7	89.5	0	0	0	113.9	I204 S205 M206	D202-I204 VanDerWaalsContact C-N 3.33Å; D202-I204 PolarHBondContact O-N 2.95Å; D202-I204 WeakPolarHBondContact OD1-CA 3.41Å; D202-I204 WeakPolarHBondContact OD1-CB 3.3Å; D202-I204 PolarHBondContact OD1-N 2.81Å; D202-S205 PolarHBondContact OD1-N 2.61Å; D202-S205 PolarHBondContact OD1-OG 3.38Å; D202-S205 WeakPolarHBondContact OD2-CB 3.44Å; D202-S205 PolarHBondContact OD2-OG 2.75Å; D202-M206 VanDerWaalsContact O-CE 3.3Å; D202-M206 WeakPolarHBondContact O-CE 3.35Å; D202-M206 VanDerWaalsContact O-CG 3.24Å; D202-M206 WeakPolarHBondContact O-CG 3.27Å; D202-M206 PolarHBondContact O-N 2.93Å
203	K	86.3	Confident	87.4	Confident	172 Å²	172	62 Å²	62	75%	0.748	32%	0.319	S	S	*	.	H	α-helix	trans	-68.6	-26.6	-175.3	-65.1	-176	178.3	-177.8	0	114	M206 Q207	K203-M206 PolarHBondContact O-N 2.69Å; K203-Q207 WeakPolarHBondContact O-CG 3.39Å; K203-Q207 PolarHBondContact O-N 3.34Å; K203-Q207 VanDerWaalsContact O-N 3.08Å
204	I	84.4	Confident	88.1	Confident	129 Å²	129	57.3 Å²	57.3	66%	0.662	29%	0.291	S	S	*	.	H	α-helix	trans	-74.5	-46.2	-175.7	-56.3	174	0	0	0	109	D202 M206 Q207 L208	D202-I204 VanDerWaalsContact C-N 3.33Å; D202-I204 PolarHBondContact O-N 2.95Å; D202-I204 WeakPolarHBondContact OD1-CA 3.41Å; D202-I204 WeakPolarHBondContact OD1-CB 3.3Å; D202-I204 PolarHBondContact OD1-N 2.81Å; I204-M206 VanDerWaalsContact C-N 3.28Å; I204-M206 PolarHBondContact O-N 3.11Å; I204-Q207 PolarHBondContact O-N 3Å; I204-L208 WeakPolarHBondContact O-CB 3.39Å; I204-L208 PolarHBondContact O-N 3Å
205	S	86.5	Confident	89	Confident	33 Å²	33	57.9 Å²	57.9	23%	0.231	30%	0.296	C	S	.	.	H	α-helix	trans	-59.6	-39.7	171.8	-61.4	0	0	0	0	111.7	D202 Q207 L208 Y209	D202-S205 PolarHBondContact OD1-N 2.61Å; D202-S205 PolarHBondContact OD1-OG 3.38Å; D202-S205 WeakPolarHBondContact OD2-CB 3.44Å; D202-S205 PolarHBondContact OD2-OG 2.75Å; S205-Q207 PolarHBondContact O-N 3.47Å; S205-L208 PolarHBondContact O-N 3.25Å; S205-Y209 WeakPolarHBondContact O-CB 3.43Å; S205-Y209 WeakPolarHBondContact O-CD2 3.49Å; S205-Y209 PolarHBondContact O-N 3.4Å
206	M	89.8	Confident	89.6	Confident	25 Å²	25	59.7 Å²	59.7	12%	0.123	30%	0.299	C	S	.	.	H	α-helix	trans	-62.8	-41.2	178.4	-68.7	165.4	-157.3	0	0	112.3	H187 Y189 L200 T201 D202 K203 I204 G210	H187-M206 HydrophobicContact CB-CE 4.16Å; H187-M206 VanDerWaalsContact CD2-CE 3.46Å; H187-M206 WeakPolarHBondContact CD2-CE 3.39Å; Y189-M206 HydrophobicContact CE2-CB 4.25Å; Y189-M206 HydrophobicContact CE2-CG 3.74Å; L200-M206 HydrophobicContact CB-CE 3.94Å; L200-M206 HydrophobicContact CB-CG 4.06Å; L200-M206 HydrophobicContact CD1-CG 4.01Å; L200-M206 WeakPolarHBondContact O-CE 3.19Å; T201-M206 VanDerWaalsContact C-CE 3.4Å; D202-M206 VanDerWaalsContact O-CE 3.3Å; D202-M206 WeakPolarHBondContact O-CE 3.35Å; D202-M206 VanDerWaalsContact O-CG 3.24Å; D202-M206 WeakPolarHBondContact O-CG 3.27Å; D202-M206 PolarHBondContact O-N 2.93Å; K203-M206 PolarHBondContact O-N 2.69Å; I204-M206 VanDerWaalsContact C-N 3.28Å; I204-M206 PolarHBondContact O-N 3.11Å; M206-G210 PolarHBondContact O-N 2.98Å
207	Q	84.5	Confident	89.6	Confident	133 Å²	133	64.2 Å²	64.2	62%	0.621	32%	0.316	S	S	*	.	H	α-helix	trans	-64	-48.2	172.5	-72.6	172.1	-29.2	0	0	111.4	K203 I204 S205 Y209 G210 Q211	K203-Q207 WeakPolarHBondContact O-CG 3.39Å; K203-Q207 PolarHBondContact O-N 3.34Å; K203-Q207 VanDerWaalsContact O-N 3.08Å; I204-Q207 PolarHBondContact O-N 3Å; S205-Q207 PolarHBondContact O-N 3.47Å; Q207-Y209 PolarHBondContact O-N 2.96Å; Q207-G210 PolarHBondContact O-N 2.95Å; Q207-Q211 WeakPolarHBondContact O-CG 3.36Å; Q207-Q211 PolarHBondContact O-N 2.9Å
208	L	86.6	Confident	89.5	Confident	69 Å²	69	64.9 Å²	64.9	36%	0.361	33%	0.325	S	S	.	.	H	α-helix	trans	-61.7	-41.2	-179.6	-178.5	64.3	0	0	0	112.9	I204 S205 R212	I204-L208 WeakPolarHBondContact O-CB 3.39Å; I204-L208 PolarHBondContact O-N 3Å; S205-L208 PolarHBondContact O-N 3.25Å; L208-R212 WeakPolarHBondContact O-CD 3.31Å; L208-R212 VanDerWaalsContact O-CG 3.26Å; L208-R212 WeakPolarHBondContact O-CG 3.44Å; L208-R212 PolarHBondContact O-N 3.37Å
209	Y	89.2	Confident	89.5	Confident	30 Å²	30	67.7 Å²	67.7	12%	0.118	34%	0.342	C	S	.	.	H	α-helix	trans	-74.8	-33.1	176.6	-84	-74.9	0	0	0	112.4	V198 L200 S205 Q207 R212 G213 Y214 H246	V198-Y209 HydrophobicContact CG1-CD2 4.29Å; V198-Y209 HydrophobicContact CG1-CE1 4.33Å; V198-Y209 HydrophobicContact CG1-CE2 3.99Å; V198-Y209 HydrophobicContact CG2-CD1 4.07Å; V198-Y209 HydrophobicContact CG2-CE1 3.84Å; L200-Y209 HydrophobicContact CD1-CD2 3.75Å; L200-Y209 HydrophobicContact CD1-CG 4.21Å; L200-Y209 HydrophobicContact CD2-CD2 4.13Å; L200-Y209 HydrophobicContact CD2-CE2 4.23Å; S205-Y209 WeakPolarHBondContact O-CB 3.43Å; S205-Y209 WeakPolarHBondContact O-CD2 3.49Å; S205-Y209 PolarHBondContact O-N 3.4Å; Q207-Y209 PolarHBondContact O-N 2.96Å; Y209-R212 CarbonylContact O-C 3.57Å; Y209-R212 WeakPolarHBondContact O-CA 3.39Å; Y209-R212 PolarHBondContact O-N 2.79Å; Y209-R212 VanDerWaalsContact O-N 3.15Å; Y209-G213 PolarHBondContact O-N 2.93Å; Y209-Y214 HydrophobicContact CD1-CD1 4.38Å; Y209-Y214 AromaticContact CD1-CD2 3.69Å; Y209-Y214 HydrophobicContact CD1-CD2 3.69Å; Y209-Y214 HydrophobicContact CD1-CE1 4.42Å; Y209-Y214 AromaticContact CD1-CE2 3.73Å; Y209-Y214 HydrophobicContact CD1-CE2 3.73Å; Y209-Y214 HydrophobicContact CD1-CG 4.04Å; Y209-Y214 HydrophobicContact CE1-CE2 4.12Å; Y209-Y214 WeakPolarHBondContact O-CB 3.42Å; Y209-Y214 PolarHBondContact O-N 3.48Å; Y209-H246 PolarHBondContact OH-CE1 3.17Å; Y209-H246 PolarHBondContact OH-NE2 3.48Å
210	G	87.3	Confident	89.3	Confident	36 Å²	36	68 Å²	68	37%	0.371	34%	0.344	S	S	.	.	H	α-helix	trans	-58.7	-48.7	169.2	0	0	0	0	0	112.4	M206 Q207 R212 G213	M206-G210 PolarHBondContact O-N 2.98Å; Q207-G210 PolarHBondContact O-N 2.95Å; G210-R212 PolarHBondContact O-N 3.12Å; G210-G213 PolarHBondContact O-N 3.24Å
211	Q	87.4	Confident	89.3	Confident	166 Å²	166	67.8 Å²	67.8	78%	0.776	34%	0.344	S	S	*	.	H	α-helix	trans	-59.8	-28.9	173.7	-71.5	174.5	-8.3	0	0	113	Q207 G213	Q207-Q211 WeakPolarHBondContact O-CG 3.36Å; Q207-Q211 PolarHBondContact O-N 2.9Å; Q211-G213 VanDerWaalsContact C-N 3.25Å; Q211-G213 PolarHBondContact O-N 3.02Å
212	R	88.5	Confident	89.3	Confident	145 Å²	145	68.5 Å²	68.5	55%	0.547	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	10.3	174.4	-68.1	168.7	178.9	-171	-0.8	113.9	L208 Y209 G210 Y214	L208-R212 WeakPolarHBondContact O-CD 3.31Å; L208-R212 VanDerWaalsContact O-CG 3.26Å; L208-R212 WeakPolarHBondContact O-CG 3.44Å; L208-R212 PolarHBondContact O-N 3.37Å; Y209-R212 CarbonylContact O-C 3.57Å; Y209-R212 WeakPolarHBondContact O-CA 3.39Å; Y209-R212 PolarHBondContact O-N 2.79Å; Y209-R212 VanDerWaalsContact O-N 3.15Å; G210-R212 PolarHBondContact O-N 3.12Å; R212-Y214 HydrophobicContact CB-CD2 4.08Å; R212-Y214 HydrophobicContact CB-CE2 4.26Å
213	G	90.2	Very high	89.6	Confident	35 Å²	35	66 Å²	66	36%	0.361	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	15.5	175.2	0	0	0	0	0	115.3	Y209 G210 Q211	Y209-G213 PolarHBondContact O-N 2.93Å; G210-G213 PolarHBondContact O-N 3.24Å; Q211-G213 VanDerWaalsContact C-N 3.25Å; Q211-G213 PolarHBondContact O-N 3.02Å
214	Y	91.7	Very high	89.8	Confident	27 Å²	27	57.8 Å²	57.8	11%	0.106	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	132	170.8	-68.6	-112	0	0	0	110.1	S190 L191 D196 V198 Y209 R212	S190-Y214 WeakPolarHBondContact O-CA 3.42Å; L191-Y214 HydrophobicContact CB-CE1 4.42Å; L191-Y214 HydrophobicContact CD1-CE1 4.03Å; L191-Y214 HydrophobicContact CD1-CE2 4.01Å; L191-Y214 HydrophobicContact CD2-CD2 4.05Å; L191-Y214 HydrophobicContact CD2-CE2 3.98Å; L191-Y214 HydrophobicContact CD2-CG 4.48Å; L191-Y214 HydrophobicContact CG-CD1 3.98Å; L191-Y214 HydrophobicContact CG-CD2 3.97Å; L191-Y214 HydrophobicContact CG-CE1 3.69Å; L191-Y214 HydrophobicContact CG-CE2 3.7Å; L191-Y214 HydrophobicContact CG-CG 4.11Å; D196-Y214 HydrophobicContact CB-CE1 4.43Å; D196-Y214 PolarHBondContact OD2-OH 3.36Å; V198-Y214 HydrophobicContact CG2-CD1 3.92Å; V198-Y214 HydrophobicContact CG2-CE1 3.5Å; V198-Y214 VanDerWaalsContact CG2-CE1 3.5Å; Y209-Y214 HydrophobicContact CD1-CD1 4.38Å; Y209-Y214 AromaticContact CD1-CD2 3.69Å; Y209-Y214 HydrophobicContact CD1-CD2 3.69Å; Y209-Y214 HydrophobicContact CD1-CE1 4.42Å; Y209-Y214 AromaticContact CD1-CE2 3.73Å; Y209-Y214 HydrophobicContact CD1-CE2 3.73Å; Y209-Y214 HydrophobicContact CD1-CG 4.04Å; Y209-Y214 HydrophobicContact CE1-CE2 4.12Å; Y209-Y214 WeakPolarHBondContact O-CB 3.42Å; Y209-Y214 PolarHBondContact O-N 3.48Å; R212-Y214 HydrophobicContact CB-CD2 4.08Å; R212-Y214 HydrophobicContact CB-CE2 4.26Å
215	V	91.3	Very high	90	Very high	58 Å²	58	54.2 Å²	54.2	35%	0.352	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	132.5	179.7	-174.6	0	0	0	0	109.1	Y189 S190 Q192	Y189-V215 WeakPolarHBondContact CA-O 3.09Å; S190-V215 PolarHBondContact N-O 2.85Å; S190-V215 PolarHBondContact O-N 2.66Å; Q192-V215 HydrophobicContact CG-CG2 3.81Å
216	Y	92.1	Very high	90	Very high	103 Å²	103	57 Å²	57	40%	0.404	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	135.6	173.3	177.9	-128	0	0	0	111.3	H187 E188 Y189 G218 T219	H187-Y216 HydrophobicContact CB-CD2 4.2Å; H187-Y216 HydrophobicContact CB-CE2 3.69Å; H187-Y216 PolarHBondContact CE1-OH 3Å; H187-Y216 AromaticContact CG-CE2 3.78Å; H187-Y216 AromaticContact ND1-CE2 3.22Å; H187-Y216 WeakPolarHBondContact ND1-CE2 3.16Å; H187-Y216 AromaticContact ND1-CZ 3.36Å; H187-Y216 PolarHBondContact ND1-OH 2.72Å; E188-Y216 WeakPolarHBondContact O-CD2 3.41Å; Y189-Y216 HydrophobicContact CD2-CD2 4.11Å; Y189-Y216 AromaticContact CE2-CD2 3.68Å; Y189-Y216 HydrophobicContact CE2-CD2 3.68Å; Y189-Y216 HydrophobicContact CE2-CG 4.35Å; Y216-G218 VanDerWaalsContact CE2-CA 3.49Å; Y216-G218 VanDerWaalsContact CE2-N 3.32Å; Y216-G218 WeakPolarHBondContact CE2-O 3.46Å; Y216-G218 VanDerWaalsContact CZ-CA 3.42Å; Y216-G218 VanDerWaalsContact OH-C 3.26Å; Y216-G218 WeakPolarHBondContact OH-CA 3.46Å; Y216-T219 PolarHBondContact OH-N 2.8Å; Y216-T219 VanDerWaalsContact OH-N 3.16Å; Y216-T219 PolarHBondContact OH-OG1 3.2Å
217	R	89.7	Confident	89.7	Confident	96 Å²	96	60.2 Å²	60.2	36%	0.362	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-19.4	-178.3	-67	-58.6	-161.5	-145.6	1.9	114	E188 D194	E188-R217 HydrophobicContact CB-CB 4.12Å; E188-R217 HydrophobicContact CG-CB 3.86Å; E188-R217 HydrophobicContact CG-CG 4.31Å; E188-R217 PolarHBondContact O-N 3.39Å; E188-R217 VanDerWaalsContact OE2-CB 3.31Å; E188-R217 WeakPolarHBondContact OE2-CB 3.5Å; D194-R217 IonicContact OD1-CZ 2.83Å; D194-R217 IonicContact OD1-NE 2.65Å; D194-R217 IonicContact OD1-NH2 3.92Å; D194-R217 PolarHBondContact OD1-NH2 3.08Å; D194-R217 IonicContact OD2-NH2 2.84Å; D194-R217 PolarHBondContact OD2-NH2 2.89Å
218	G	90	Very high	89.2	Confident	21 Å²	21	56.4 Å²	56.4	22%	0.216	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	139.6	170	179.7	0	0	0	0	0	113.7	E188 Y216	E188-G218 PolarHBondContact N-O 2.99Å; Y216-G218 VanDerWaalsContact CE2-CA 3.49Å; Y216-G218 VanDerWaalsContact CE2-N 3.32Å; Y216-G218 WeakPolarHBondContact CE2-O 3.46Å; Y216-G218 VanDerWaalsContact CZ-CA 3.42Å; Y216-G218 VanDerWaalsContact OH-C 3.26Å; Y216-G218 WeakPolarHBondContact OH-CA 3.46Å
219	T	92.9	Very high	88.9	Confident	60 Å²	60	58.4 Å²	58.4	37%	0.368	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	126.1	171.6	-52.8	0	0	0	0	109.4	P185 L186 H187 Y216 G221	P185-T219 HydrophobicContact CB-CG2 3.66Å; L186-T219 WeakPolarHBondContact O-CA 3.48Å; H187-T219 PolarHBondContact CE1-OG1 2.84Å; H187-T219 VanDerWaalsContact CE1-OG1 3.28Å; H187-T219 PolarHBondContact ND1-OG1 2.83Å; Y216-T219 PolarHBondContact OH-N 2.8Å; Y216-T219 VanDerWaalsContact OH-N 3.16Å; Y216-T219 PolarHBondContact OH-OG1 3.2Å; T219-G221 VanDerWaalsContact CG2-O 3.29Å; T219-G221 WeakPolarHBondContact CG2-O 3.41Å
220	V	93.1	Very high	88.5	Confident	9 Å²	9	59.6 Å²	59.6	6%	0.055	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-20.7	-180	-163	0	0	0	0	112	L135 S150 L186 E188 Y199	L135-V220 HydrophobicContact CD1-CG1 3.49Å; L135-V220 VanDerWaalsContact CD1-CG1 3.49Å; S150-V220 VanDerWaalsContact CB-O 3.31Å; S150-V220 WeakPolarHBondContact CB-O 3.43Å; S150-V220 PolarHBondContact OG-O 2.87Å; L186-V220 PolarHBondContact O-N 2.8Å; E188-V220 HydrophobicContact CB-CG2 3.76Å; Y199-V220 HydrophobicContact CD1-CG2 3.95Å; Y199-V220 HydrophobicContact CE1-CG2 3.87Å
221	G	92.7	Very high	88.1	Confident	5 Å²	5	62.6 Å²	62.6	5%	0.052	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.5	-166.7	178.6	0	0	0	0	0	109	N173 L186 T219	N173-G221 CarbonylContact O-C 3.56Å; N173-G221 WeakPolarHBondContact O-CA 3.5Å; L186-G221 PolarHBondContact N-O 2.92Å; T219-G221 VanDerWaalsContact CG2-O 3.29Å; T219-G221 WeakPolarHBondContact CG2-O 3.41Å
222	Y	93.2	Very high	87.9	Confident	33 Å²	33	55 Å²	55	13%	0.129	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	138.6	176.1	-61	-109.5	0	0	0	110.3	N173 E176 K184 P185	N173-Y222 PolarHBondContact N-O 3.48Å; N173-Y222 PolarHBondContact O-N 2.9Å; E176-Y222 HydrophobicContact CB-CD1 4.07Å; E176-Y222 HydrophobicContact CB-CE1 3.55Å; E176-Y222 HydrophobicContact CB-CE2 4.41Å; E176-Y222 HydrophobicContact CG-CD1 4.07Å; E176-Y222 HydrophobicContact CG-CE1 3.69Å; K184-Y222 CarbonylContact O-C 3.47Å; K184-Y222 VanDerWaalsContact O-CA 3.27Å; K184-Y222 WeakPolarHBondContact O-CA 2.97Å; P185-Y222 HydrophobicContact CB-CD1 4.17Å; P185-Y222 HydrophobicContact CB-CE1 4.05Å
223	V	94.3	Very high	87.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	174.9	-173.7	-64.3	0	0	0	0	110	V172 L183 K184 L186 T201 F275	V172-V223 HydrophobicContact CB-CG1 4.24Å; V172-V223 HydrophobicContact CG1-CG1 3.6Å; L183-V223 CarbonylContact C-O 3.57Å; L183-V223 WeakPolarHBondContact CA-O 3.49Å; K184-V223 PolarHBondContact N-O 2.86Å; K184-V223 PolarHBondContact O-N 3.4Å; L186-V223 HydrophobicContact CB-CG1 4.15Å; L186-V223 HydrophobicContact CB-CG2 3.9Å; L186-V223 HydrophobicContact CD1-CG2 4.15Å; L186-V223 HydrophobicContact CD2-CG1 4.06Å; L186-V223 HydrophobicContact CG-CG2 4.46Å; T201-V223 HydrophobicContact CG2-CG2 3.5Å; T201-V223 VanDerWaalsContact CG2-CG2 3.5Å; V223-F275 HydrophobicContact CB-CB 4.19Å; V223-F275 HydrophobicContact CB-CD2 4.43Å; V223-F275 HydrophobicContact CG1-CD2 4.09Å; V223-F275 HydrophobicContact CG2-CB 3.75Å; V223-F275 HydrophobicContact CG2-CG 4.28Å
224	V	90.5	Very high	87.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-113.4	163.8	168.3	-66.7	0	0	0	0	109.1	A182 D226 F229 C230 S232 F275 A276 W278	A182-V224 HydrophobicContact CB-CG1 4.02Å; V224-D226 WeakPolarHBondContact CG2-O 3.24Å; V224-F229 HydrophobicContact CB-CB 3.81Å; V224-F229 HydrophobicContact CG1-CB 3.93Å; V224-F229 HydrophobicContact CG2-CB 3.91Å; V224-C230 HydrophobicContact CG1-CB 4.5Å; V224-S232 VanDerWaalsContact CG2-CB 3.44Å; V224-S232 VanDerWaalsContact CG2-OG 3.3Å; V224-S232 WeakPolarHBondContact CG2-OG 3.36Å; V224-F275 WeakPolarHBondContact O-CA 3.43Å; V224-A276 HydrophobicContact CG2-CB 4.2Å; V224-A276 PolarHBondContact N-O 2.85Å; V224-A276 PolarHBondContact O-N 3.07Å; V224-W278 HydrophobicContact CG1-CH2 4.12Å; V224-W278 HydrophobicContact CG1-CZ2 4.36Å; V224-W278 HydrophobicContact CG2-CH2 4.39Å
225	D	88.6	Confident	87.5	Confident	54 Å²	54	49.3 Å²	49.3	29%	0.289	28%	0.28	S	S	.	.	S	Bend	trans	-66.9	-52.1	179.1	-58.1	-48.4	0	0	0	111.4	K184 T201 F275 A276	K184-D225 WeakPolarHBondContact CD-OD1 3.26Å; K184-D225 WeakPolarHBondContact CE-OD1 3.13Å; K184-D225 VanDerWaalsContact CE-OD2 3.24Å; K184-D225 WeakPolarHBondContact CE-OD2 3.35Å; K184-D225 IonicContact NZ-OD1 2.71Å; K184-D225 PolarHBondContact NZ-OD1 2.03Å; K184-D225 IonicContact NZ-OD2 2.81Å; K184-D225 PolarHBondContact NZ-OD2 2.94Å; T201-D225 PolarHBondContact OG1-OD1 3.44Å; D225-F275 CarbonylContact O-C 3.57Å; D225-F275 VanDerWaalsContact O-CA 3.25Å; D225-F275 WeakPolarHBondContact O-CA 3.27Å; D225-A276 PolarHBondContact O-N 3.41Å
226	D	86.1	Confident	87.7	Confident	92 Å²	92	46.5 Å²	46.5	49%	0.492	26%	0.264	S	S	.	.	S	Bend	trans	-120	163.2	-173.7	-67.9	-69.5	0	0	0	113	V224 F229 S232 A276	V224-D226 WeakPolarHBondContact CG2-O 3.24Å; D226-F229 HydrophobicContact CB-CD2 3.82Å; D226-F229 HydrophobicContact CB-CE2 3.92Å; D226-S232 PolarHBondContact O-OG 2.81Å; D226-S232 VanDerWaalsContact O-OG 3.08Å; D226-A276 WeakPolarHBondContact O-CB 3.49Å
227	E	83.1	Confident	87.8	Confident	93 Å²	93	43.7 Å²	43.7	44%	0.435	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	152.9	177.9	-151.7	169.7	129.3	0	0	112.5	F229 S232 S235 A276	E227-F229 PolarHBondContact O-N 3.04Å; E227-S232 VanDerWaalsContact CA-OG 3.31Å; E227-S232 WeakPolarHBondContact CA-OG 3.46Å; E227-S235 WeakPolarHBondContact OE2-CB 3.48Å; E227-S235 PolarHBondContact OE2-N 3.48Å; E227-S235 PolarHBondContact OE2-OG 3.47Å; E227-A276 HydrophobicContact CB-CB 4.26Å
228	G	74.8	Confident	88	Confident	53 Å²	53	39.7 Å²	39.7	55%	0.546	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	-26.6	-175.2	0	0	0	0	0	114.9	C230 S231 S232	G228-C230 PolarHBondContact O-N 3.3Å; G228-C230 VanDerWaalsContact O-N 3.16Å; G228-S231 PolarHBondContact O-N 3.02Å; G228-S231 VanDerWaalsContact O-N 3.16Å; G228-S232 WeakPolarHBondContact CA-O 3.4Å; G228-S232 PolarHBondContact N-O 3.1Å; G228-S232 PolarHBondContact N-OG 3.21Å
229	F	80.1	Confident	88.1	Confident	110 Å²	110	38.9 Å²	38.9	48%	0.482	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-61.3	120	173.8	-78.8	-85.7	0	0	0	110.6	A182 V224 D226 E227 S231 S232	A182-F229 HydrophobicContact CB-CB 4.27Å; A182-F229 HydrophobicContact CB-CD1 3.89Å; A182-F229 HydrophobicContact CB-CG 4.41Å; V224-F229 HydrophobicContact CB-CB 3.81Å; V224-F229 HydrophobicContact CG1-CB 3.93Å; V224-F229 HydrophobicContact CG2-CB 3.91Å; D226-F229 HydrophobicContact CB-CD2 3.82Å; D226-F229 HydrophobicContact CB-CE2 3.92Å; E227-F229 PolarHBondContact O-N 3.04Å; F229-S231 PolarHBondContact O-N 3.49Å; F229-S232 PolarHBondContact N-OG 3.24Å; F229-S232 WeakPolarHBondContact O-CB 3.49Å; F229-S232 PolarHBondContact O-N 2.93Å; F229-S232 VanDerWaalsContact O-N 3.08Å; F229-S232 PolarHBondContact O-OG 2.76Å; F229-S232 VanDerWaalsContact O-OG 3.1Å
230	C	80.3	Confident	87.8	Confident	56 Å²	56	37.4 Å²	37.4	38%	0.378	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	52.2	38.5	-176.8	-52.4	0	0	0	0	113.4	C180 V224 G228 S232 W278	C180-C230 HydrophobicContact CB-CB 3.75Å; C180-C230 WeakPolarHBondContact CB-SG 3.43Å; C180-C230 WeakPolarHBondContact SG-CB 3.17Å; C180-C230 CovalentContact SG-SG 2Å; C180-C230 PolarHBondContact SG-SG 3.08Å; V224-C230 HydrophobicContact CG1-CB 4.5Å; G228-C230 PolarHBondContact O-N 3.3Å; G228-C230 VanDerWaalsContact O-N 3.16Å; C230-S232 PolarHBondContact O-N 2.97Å; C230-W278 HydrophobicContact CB-CZ2 4.37Å; C230-W278 PolarHBondContact O-NE1 3.45Å
231	S	79.3	Confident	87.2	Confident	99 Å²	99	37.7 Å²	37.7	69%	0.692	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	61.3	26.2	-179.3	-48.1	0	0	0	0	114.5	G228 F229 W278	G228-S231 PolarHBondContact O-N 3.02Å; G228-S231 VanDerWaalsContact O-N 3.16Å; F229-S231 PolarHBondContact O-N 3.49Å; S231-W278 VanDerWaalsContact C-NE1 3.28Å; S231-W278 PolarHBondContact O-NE1 2.89Å
232	S	83.6	Confident	86.2	Confident	6 Å²	6	39.8 Å²	39.8	4%	0.042	23%	0.234	C	C	.	.			trans	-57.2	143	162.3	63.2	0	0	0	0	109.3	V224 D226 E227 G228 F229 C230	V224-S232 VanDerWaalsContact CG2-CB 3.44Å; V224-S232 VanDerWaalsContact CG2-OG 3.3Å; V224-S232 WeakPolarHBondContact CG2-OG 3.36Å; D226-S232 PolarHBondContact O-OG 2.81Å; D226-S232 VanDerWaalsContact O-OG 3.08Å; E227-S232 VanDerWaalsContact CA-OG 3.31Å; E227-S232 WeakPolarHBondContact CA-OG 3.46Å; G228-S232 WeakPolarHBondContact CA-O 3.4Å; G228-S232 PolarHBondContact N-O 3.1Å; G228-S232 PolarHBondContact N-OG 3.21Å; F229-S232 PolarHBondContact N-OG 3.24Å; F229-S232 WeakPolarHBondContact O-CB 3.49Å; F229-S232 PolarHBondContact O-N 2.93Å; F229-S232 VanDerWaalsContact O-N 3.08Å; F229-S232 PolarHBondContact O-OG 2.76Å; F229-S232 VanDerWaalsContact O-OG 3.1Å; C230-S232 PolarHBondContact O-N 2.97Å
233	S	82.9	Confident	84.9	Confident	55 Å²	55	43 Å²	43	39%	0.385	25%	0.254	S	S	.	.			trans	-140.6	13.3	-163.8	80.3	0	0	0	0	113.2	L277 W279	S233-L277 PolarHBondContact N-O 2.58Å; S233-W279 PolarHBondContact OG-N 3.11Å
234	V	87.6	Confident	84	Confident	18 Å²	18	47.3 Å²	47.3	11%	0.109	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	119.5	-177.2	-174.9	0	0	0	0	109.3	A276 L277 W279	V234-A276 WeakPolarHBondContact O-CA 3.25Å; V234-L277 HydrophobicContact CB-CD1 4.04Å; V234-L277 HydrophobicContact CB-CG 4.11Å; V234-L277 HydrophobicContact CG1-CD1 4.14Å; V234-L277 HydrophobicContact CG1-CG 4.35Å; V234-L277 PolarHBondContact N-O 3.33Å; V234-L277 PolarHBondContact O-N 2.98Å; V234-W279 HydrophobicContact CG2-CB 3.79Å; V234-W279 HydrophobicContact CG2-CE3 4.3Å
235	S	92.6	Very high	83.7	Confident	14 Å²	14	50.7 Å²	50.7	10%	0.098	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	139.7	171.1	-65.6	0	0	0	0	112.1	E227	E227-S235 WeakPolarHBondContact OE2-CB 3.48Å; E227-S235 PolarHBondContact OE2-N 3.48Å; E227-S235 PolarHBondContact OE2-OG 3.47Å
236	A	95.2	Very high	83.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	104.3	172.7	0	0	0	0	0	111.2	F169 I273 P274 F275 L277	F169-A236 HydrophobicContact CE1-CB 3.7Å; F169-A236 HydrophobicContact CZ-CB 3.85Å; A236-I273 WeakPolarHBondContact O-CA 3.01Å; A236-P274 VanDerWaalsContact O-CD 3.32Å; A236-P274 WeakPolarHBondContact O-CD 3.24Å; A236-F275 HydrophobicContact CB-CD1 4.48Å; A236-F275 HydrophobicContact CB-CD2 3.75Å; A236-F275 HydrophobicContact CB-CE1 4.28Å; A236-F275 HydrophobicContact CB-CE2 3.52Å; A236-F275 HydrophobicContact CB-CG 4.23Å; A236-F275 HydrophobicContact CB-CZ 3.8Å; A236-F275 VanDerWaalsContact CB-O 3.24Å; A236-F275 WeakPolarHBondContact CB-O 3.33Å; A236-F275 PolarHBondContact N-O 2.63Å; A236-L277 HydrophobicContact CB-CD2 3.9Å
237	Y	93.7	Very high	84	Confident	43 Å²	43	45 Å²	45	17%	0.169	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	133.6	176.5	-52.4	-81.3	0	0	0	111.4	Y248 T249 Q252 A255 Y270 I273	Y237-Y248 CarbonylContact O-C 3.54Å; Y237-Y248 VanDerWaalsContact O-CA 3.25Å; Y237-Y248 WeakPolarHBondContact O-CA 3.17Å; Y237-T249 WeakPolarHBondContact CD2-O 3.22Å; Y237-T249 PolarHBondContact N-O 3.38Å; Y237-T249 PolarHBondContact O-N 2.8Å; Y237-Q252 HydrophobicContact CE2-CB 4.25Å; Y237-A255 HydrophobicContact CD1-CB 4.39Å; Y237-A255 HydrophobicContact CD2-CB 3.73Å; Y237-A255 HydrophobicContact CE2-CB 4.32Å; Y237-A255 HydrophobicContact CG-CB 3.77Å; Y237-Y270 HydrophobicContact CD1-CE2 4.17Å; Y237-I273 HydrophobicContact CD1-CD1 4.07Å; Y237-I273 HydrophobicContact CD1-CG1 3.73Å; Y237-I273 HydrophobicContact CE1-CD1 3.79Å; Y237-I273 HydrophobicContact CE1-CG1 3.99Å
238	N	94	Very high	84.6	Confident	12 Å²	12	40.7 Å²	40.7	6%	0.064	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	141	-179.5	-172.3	8.8	0	0	0	112	H246 Y248 Y270 Q271 G272 P274	N238-H246 PolarHBondContact OD1-CD2 2.87Å; N238-Y248 HydrophobicContact CB-CD1 3.92Å; N238-Y248 HydrophobicContact CB-CE1 3.95Å; N238-Y270 WeakPolarHBondContact O-CD2 3.23Å; N238-Q271 HydrophobicContact CB-CB 4.2Å; N238-Q271 PolarHBondContact O-N 3.13Å; N238-G272 PolarHBondContact N-O 2.9Å; N238-P274 HydrophobicContact CB-CG 3.99Å
239	F	90.9	Very high	85.5	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	136.5	179.7	-63	-98	0	0	0	111.9	H246 F247 T249 A255 V258 A259 F268 W269 Y270	F239-H246 CarbonylContact O-C 3.52Å; F239-H246 WeakPolarHBondContact O-CA 3.29Å; F239-F247 HydrophobicContact CD2-CD1 4.48Å; F239-F247 PolarHBondContact N-O 2.7Å; F239-F247 PolarHBondContact O-N 3.16Å; F239-T249 HydrophobicContact CE2-CG2 4.3Å; F239-A255 HydrophobicContact CE2-CB 3.99Å; F239-A255 HydrophobicContact CZ-CB 3.97Å; F239-V258 HydrophobicContact CD1-CG1 3.82Å; F239-V258 HydrophobicContact CD2-CG1 4.22Å; F239-V258 HydrophobicContact CE1-CG1 3.93Å; F239-V258 HydrophobicContact CE2-CG1 4.32Å; F239-V258 HydrophobicContact CG-CG1 3.98Å; F239-V258 HydrophobicContact CZ-CG1 4.18Å; F239-A259 HydrophobicContact CE1-CB 4.18Å; F239-F268 HydrophobicContact CB-CB 4.41Å; F239-F268 HydrophobicContact CB-CD1 4.21Å; F239-F268 HydrophobicContact CD1-CB 4.22Å; F239-W269 CarbonylContact C-O 3.58Å; F239-W269 VanDerWaalsContact CA-O 3.24Å; F239-W269 WeakPolarHBondContact CA-O 3.18Å; F239-Y270 HydrophobicContact CD1-CD2 4.23Å; F239-Y270 AromaticContact CE1-CD2 3.8Å; F239-Y270 HydrophobicContact CE1-CD2 3.8Å; F239-Y270 HydrophobicContact CE1-CG 4.3Å; F239-Y270 HydrophobicContact CE2-CD2 4.3Å; F239-Y270 AromaticContact CZ-CD2 3.83Å; F239-Y270 HydrophobicContact CZ-CD2 3.83Å; F239-Y270 HydrophobicContact CZ-CE2 4.49Å
240	L	87.1	Confident	86	Confident	29 Å²	29	34 Å²	34	15%	0.152	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	123.3	166	-80.7	173.8	0	0	0	111	R245 F268 W269 Q271	L240-R245 CarbonylContact C-O 3.59Å; L240-R245 WeakPolarHBondContact CA-O 3.5Å; L240-F268 CarbonylContact O-C 3.26Å; L240-F268 WeakPolarHBondContact O-CA 3.48Å; L240-W269 HydrophobicContact CB-CB 4.34Å; L240-W269 PolarHBondContact N-O 3.49Å; L240-W269 PolarHBondContact O-N 2.02Å; L240-Q271 HydrophobicContact CB-CG 4.4Å; L240-Q271 HydrophobicContact CD1-CG 4.29Å; L240-Q271 HydrophobicContact CG-CG 3.87Å
241	V	80.4	Confident	86.5	Confident	16 Å²	16	33.7 Å²	33.7	10%	0.097	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123.2	176.2	-165	0	0	0	0	109.6	D243 V244 R245 F247 F268	V241-D243 PolarHBondContact O-N 2.82Å; V241-V244 PolarHBondContact O-N 3.48Å; V241-R245 PolarHBondContact N-O 2.96Å; V241-R245 PolarHBondContact O-N 2.85Å; V241-F247 HydrophobicContact CG2-CB 3.48Å; V241-F247 VanDerWaalsContact CG2-CB 3.48Å; V241-F247 HydrophobicContact CG2-CG 4.35Å; V241-F268 HydrophobicContact CB-CD1 4.46Å; V241-F268 HydrophobicContact CB-CE1 4.31Å; V241-F268 HydrophobicContact CG1-CD1 4.41Å; V241-F268 HydrophobicContact CG1-CE1 4.01Å; V241-F268 HydrophobicContact CG1-CE2 4.24Å; V241-F268 HydrophobicContact CG1-CZ 3.9Å; V241-F268 HydrophobicContact CG2-CD1 3.63Å; V241-F268 HydrophobicContact CG2-CE1 3.43Å; V241-F268 VanDerWaalsContact CG2-CE1 3.43Å; V241-F268 HydrophobicContact CG2-CZ 4.18Å
242	S	72.3	Confident	86.7	Confident	49 Å²	49	34.3 Å²	34.3	34%	0.343	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	40	-178.2	-53.3	0	0	0	0	112.3	V244 S267	S242-V244 PolarHBondContact O-N 2.9Å; S242-S267 PolarHBondContact N-O 3.33Å
243	D	65.7	Low	86.9	Confident	100 Å²	100	41.5 Å²	41.5	54%	0.535	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	-7.6	171	-41.5	-12	0	0	0	116.2	V241 W269	V241-D243 PolarHBondContact O-N 2.82Å; D243-W269 PolarHBondContact OD1-NE1 2.05Å
244	V	75	Confident	87.2	Confident	91 Å²	91	41.4 Å²	41.4	55%	0.552	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-140.7	7.1	-171.1	-60.6	0	0	0	0	117	V241 S242	V241-V244 PolarHBondContact O-N 3.48Å; S242-V244 PolarHBondContact O-N 2.9Å
245	R	84.8	Confident	87.2	Confident	70 Å²	70	40.9 Å²	40.9	26%	0.264	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	132	177.1	-64.6	179.2	-163.2	153	14.7	112.1	K143 K144 D196 L240 V241	K143-R245 PolarHBondContact O-NH1 3.46Å; K144-R245 WeakPolarHBondContact O-CD 3.42Å; D196-R245 HydrophobicContact CB-CG 4.37Å; D196-R245 WeakPolarHBondContact OD1-CA 3.27Å; L240-R245 CarbonylContact C-O 3.59Å; L240-R245 WeakPolarHBondContact CA-O 3.5Å; V241-R245 PolarHBondContact N-O 2.96Å; V241-R245 PolarHBondContact O-N 2.85Å
246	H	90.8	Very high	86.9	Confident	8 Å²	8	45.4 Å²	45.4	4%	0.037	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	134.6	-179.5	-65.8	88.4	0	0	0	111.9	D196 Y209 N238 F239 Y248	D196-H246 PolarHBondContact OD1-N 2.96Å; D196-H246 IonicContact OD2-CE1 3.19Å; D196-H246 IonicContact OD2-CG 3.06Å; D196-H246 PolarHBondContact OD2-N 3.24Å; D196-H246 IonicContact OD2-ND1 2.64Å; D196-H246 PolarHBondContact OD2-ND1 3.28Å; Y209-H246 PolarHBondContact OH-CE1 3.17Å; Y209-H246 PolarHBondContact OH-NE2 3.48Å; N238-H246 PolarHBondContact OD1-CD2 2.87Å; F239-H246 CarbonylContact O-C 3.52Å; F239-H246 WeakPolarHBondContact O-CA 3.29Å; H246-Y248 HydrophobicContact CB-CD2 4.37Å; H246-Y248 HydrophobicContact CB-CE2 3.54Å
247	F	90.7	Very high	86.5	Confident	20 Å²	20	48 Å²	48	9%	0.088	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	124	176	175.1	-89.9	0	0	0	108.6	M146 F239 V241 V258 F268	M146-F247 HydrophobicContact SD-CD2 3.94Å; M146-F247 HydrophobicContact SD-CE2 4.17Å; F239-F247 HydrophobicContact CD2-CD1 4.48Å; F239-F247 PolarHBondContact N-O 2.7Å; F239-F247 PolarHBondContact O-N 3.16Å; V241-F247 HydrophobicContact CG2-CB 3.48Å; V241-F247 VanDerWaalsContact CG2-CB 3.48Å; V241-F247 HydrophobicContact CG2-CG 4.35Å; F247-V258 HydrophobicContact CE1-CG2 4.17Å; F247-F268 HydrophobicContact CB-CE1 4.44Å; F247-F268 HydrophobicContact CD1-CD1 4.48Å; F247-F268 HydrophobicContact CD1-CE1 4.19Å; F247-F268 HydrophobicContact CG-CE1 4.18Å
248	Y	94.7	Very high	86	Confident	1 Å²	1	46 Å²	46	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	141.3	-178.6	-52.3	-115.5	0	0	0	110.2	R137 M146 L148 V198 Y199 Y237 N238 H246 P274 F275	R137-Y248 WeakPolarHBondContact CD-O 3.42Å; R137-Y248 PolarHBondContact NH1-O 3.43Å; M146-Y248 HydrophobicContact CE-CD2 3.88Å; M146-Y248 HydrophobicContact CE-CG 4.25Å; M146-Y248 WeakPolarHBondContact CE-O 3.48Å; L148-Y248 HydrophobicContact CD1-CG 4.31Å; V198-Y248 WeakPolarHBondContact CA-OH 3.44Å; Y199-Y248 HydrophobicContact CD2-CD2 4.44Å; Y199-Y248 HydrophobicContact CD2-CE1 4.44Å; Y199-Y248 AromaticContact CD2-CE2 3.86Å; Y199-Y248 HydrophobicContact CD2-CE2 3.86Å; Y199-Y248 AromaticContact CD2-CZ 3.88Å; Y199-Y248 HydrophobicContact CE2-CE2 4.38Å; Y199-Y248 PolarHBondContact N-OH 2.85Å; Y237-Y248 CarbonylContact O-C 3.54Å; Y237-Y248 VanDerWaalsContact O-CA 3.25Å; Y237-Y248 WeakPolarHBondContact O-CA 3.17Å; N238-Y248 HydrophobicContact CB-CD1 3.92Å; N238-Y248 HydrophobicContact CB-CE1 3.95Å; H246-Y248 HydrophobicContact CB-CD2 4.37Å; H246-Y248 HydrophobicContact CB-CE2 3.54Å; Y248-P274 HydrophobicContact CD1-CG 4.36Å; Y248-P274 HydrophobicContact CE1-CG 3.91Å; Y248-F275 HydrophobicContact CD1-CE1 4.34Å; Y248-F275 HydrophobicContact CE1-CE1 4.23Å
249	T	93.5	Very high	85.5	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	143.7	166.1	-175.5	0	0	0	0	110.9	R137 Y237 F239 S251 E254 A255	R137-T249 PolarHBondContact NH1-OG1 2.89Å; Y237-T249 WeakPolarHBondContact CD2-O 3.22Å; Y237-T249 PolarHBondContact N-O 3.38Å; Y237-T249 PolarHBondContact O-N 2.8Å; F239-T249 HydrophobicContact CE2-CG2 4.3Å; T249-S251 PolarHBondContact OG1-N 3.46Å; T249-S251 VanDerWaalsContact OG1-N 3.08Å; T249-E254 VanDerWaalsContact CB-OE2 3.24Å; T249-E254 WeakPolarHBondContact CB-OE2 3.48Å; T249-E254 HydrophobicContact CG2-CB 4.15Å; T249-E254 HydrophobicContact CG2-CG 4.23Å; T249-E254 PolarHBondContact OG1-OE2 3.21Å; T249-A255 HydrophobicContact CG2-CB 3.84Å
250	S	91.6	Very high	85.1	Confident	23 Å²	23	51.8 Å²	51.8	16%	0.161	30%	0.297	C	S	.	.	S	Bend	trans	-96.9	-3.5	171.3	48.3	0	0	0	0	112.8	F169	F169-S250 WeakPolarHBondContact O-CB 3.46Å; F169-S250 PolarHBondContact O-OG 3.27Å
251	S	89.2	Confident	84.5	Confident	49 Å²	49	56.5 Å²	56.5	34%	0.343	31%	0.313	S	S	.	.			trans	-95.9	116.6	176.9	179.9	0	0	0	0	109.9	T249 Q253 E254 A255	T249-S251 PolarHBondContact OG1-N 3.46Å; T249-S251 VanDerWaalsContact OG1-N 3.08Å; S251-Q253 PolarHBondContact O-N 2.8Å; S251-E254 PolarHBondContact O-N 3.41Å; S251-E254 PolarHBondContact OG-N 2.9Å; S251-A255 PolarHBondContact O-N 2.79Å
252	Q	85	Confident	83.6	Confident	113 Å²	113	65.2 Å²	65.2	53%	0.528	35%	0.349	S	S	.	.	H	α-helix	trans	-53.8	-39.7	172.3	-176.4	-174.4	-20.7	0	0	111.6	Y237 E254 A255 E256	Y237-Q252 HydrophobicContact CE2-CB 4.25Å; Q252-E254 VanDerWaalsContact C-N 3.35Å; Q252-E254 PolarHBondContact O-N 2.84Å; Q252-A255 WeakPolarHBondContact O-CB 3.4Å; Q252-A255 PolarHBondContact O-N 2.89Å; Q252-E256 HydrophobicContact CG-CG 4.4Å; Q252-E256 WeakPolarHBondContact CG-OE1 3.33Å; Q252-E256 PolarHBondContact NE2-OE1 3.18Å; Q252-E256 WeakPolarHBondContact O-CB 3.19Å; Q252-E256 WeakPolarHBondContact O-CG 3.39Å; Q252-E256 PolarHBondContact O-N 2.79Å
253	Q	86.9	Confident	83	Confident	156 Å²	156	65.1 Å²	65.1	73%	0.729	36%	0.356	S	S	*	.	H	α-helix	trans	-63.9	-37.7	177.7	-63.2	179.8	8.5	0	0	112.4	S251 A257	S251-Q253 PolarHBondContact O-N 2.8Å; Q253-A257 WeakPolarHBondContact O-CB 3.33Å; Q253-A257 PolarHBondContact O-N 2.88Å
254	E	88.8	Confident	82.4	Confident	53 Å²	53	67.7 Å²	67.7	25%	0.248	37%	0.37	C	S	.	.	H	α-helix	trans	-71.6	-38.9	173.6	-172.4	175	-153.6	0	0	111.2	R137 T249 S251 Q252 A257 V258	R137-E254 IonicContact CZ-OE2 3.6Å; R137-E254 VanDerWaalsContact CZ-OE2 3.26Å; R137-E254 IonicContact NH1-OE1 2.71Å; R137-E254 IonicContact NH1-OE2 3.87Å; R137-E254 PolarHBondContact NH1-OE2 3.25Å; R137-E254 IonicContact NH2-OE1 2.72Å; R137-E254 IonicContact NH2-OE2 2.67Å; R137-E254 PolarHBondContact NH2-OE2 2.64Å; T249-E254 VanDerWaalsContact CB-OE2 3.24Å; T249-E254 WeakPolarHBondContact CB-OE2 3.48Å; T249-E254 HydrophobicContact CG2-CB 4.15Å; T249-E254 HydrophobicContact CG2-CG 4.23Å; T249-E254 PolarHBondContact OG1-OE2 3.21Å; S251-E254 PolarHBondContact O-N 3.41Å; S251-E254 PolarHBondContact OG-N 2.9Å; Q252-E254 VanDerWaalsContact C-N 3.35Å; Q252-E254 PolarHBondContact O-N 2.84Å; E254-A257 CarbonylContact O-C 3.57Å; E254-A257 PolarHBondContact O-N 3.2Å; E254-V258 HydrophobicContact CG-CG2 4.3Å; E254-V258 VanDerWaalsContact O-CB 3.24Å; E254-V258 WeakPolarHBondContact O-CB 3.5Å; E254-V258 WeakPolarHBondContact O-CG2 3.47Å; E254-V258 PolarHBondContact O-N 3.32Å
255	A	88.4	Confident	81.3	Confident	8 Å²	8	73.1 Å²	73.1	7%	0.066	38%	0.382	C	S	.	.	H	α-helix	trans	-61.4	-47.2	176.3	0	0	0	0	0	111.7	Y237 F239 T249 S251 Q252 V258 A259	Y237-A255 HydrophobicContact CD1-CB 4.39Å; Y237-A255 HydrophobicContact CD2-CB 3.73Å; Y237-A255 HydrophobicContact CE2-CB 4.32Å; Y237-A255 HydrophobicContact CG-CB 3.77Å; F239-A255 HydrophobicContact CE2-CB 3.99Å; F239-A255 HydrophobicContact CZ-CB 3.97Å; T249-A255 HydrophobicContact CG2-CB 3.84Å; S251-A255 PolarHBondContact O-N 2.79Å; Q252-A255 WeakPolarHBondContact O-CB 3.4Å; Q252-A255 PolarHBondContact O-N 2.89Å; A255-V258 PolarHBondContact O-N 3.08Å; A255-A259 WeakPolarHBondContact O-CB 3.45Å; A255-A259 PolarHBondContact O-N 3.48Å
256	E	86.7	Confident	79.9	Confident	109 Å²	109	71.8 Å²	71.8	51%	0.509	38%	0.383	S	S	.	.	H	α-helix	trans	-61.8	-46.9	173.9	-72.1	174.1	-172.4	0	0	111.6	Q252 V258 A259 A260	Q252-E256 HydrophobicContact CG-CG 4.4Å; Q252-E256 WeakPolarHBondContact CG-OE1 3.33Å; Q252-E256 PolarHBondContact NE2-OE1 3.18Å; Q252-E256 WeakPolarHBondContact O-CB 3.19Å; Q252-E256 WeakPolarHBondContact O-CG 3.39Å; Q252-E256 PolarHBondContact O-N 2.79Å; E256-V258 PolarHBondContact O-N 3.36Å; E256-A259 PolarHBondContact O-N 2.89Å; E256-A260 VanDerWaalsContact O-CB 3.3Å; E256-A260 WeakPolarHBondContact O-CB 3.49Å; E256-A260 PolarHBondContact O-N 2.94Å
257	A	86	Confident	78.7	Confident	53 Å²	53	73.6 Å²	73.6	44%	0.438	40%	0.397	S	S	.	.	H	α-helix	trans	-70.7	-14.2	178.5	0	0	0	0	0	114.2	Q253 E254 R261	Q253-A257 WeakPolarHBondContact O-CB 3.33Å; Q253-A257 PolarHBondContact O-N 2.88Å; E254-A257 CarbonylContact O-C 3.57Å; E254-A257 PolarHBondContact O-N 3.2Å; A257-R261 VanDerWaalsContact O-CG 3.29Å; A257-R261 WeakPolarHBondContact O-CG 3.49Å; A257-R261 PolarHBondContact O-NE 3.1Å
258	V	84.1	Confident	78.2	Confident	3 Å²	3	74.5 Å²	74.5	2%	0.018	40%	0.4	C	S	.	.	H	α-helix	trans	-87.1	-49.4	170	163.3	0	0	0	0	110.2	F239 F247 E254 A255 E256 A260 R261 F268	F239-V258 HydrophobicContact CD1-CG1 3.82Å; F239-V258 HydrophobicContact CD2-CG1 4.22Å; F239-V258 HydrophobicContact CE1-CG1 3.93Å; F239-V258 HydrophobicContact CE2-CG1 4.32Å; F239-V258 HydrophobicContact CG-CG1 3.98Å; F239-V258 HydrophobicContact CZ-CG1 4.18Å; F247-V258 HydrophobicContact CE1-CG2 4.17Å; E254-V258 HydrophobicContact CG-CG2 4.3Å; E254-V258 VanDerWaalsContact O-CB 3.24Å; E254-V258 WeakPolarHBondContact O-CB 3.5Å; E254-V258 WeakPolarHBondContact O-CG2 3.47Å; E254-V258 PolarHBondContact O-N 3.32Å; A255-V258 PolarHBondContact O-N 3.08Å; E256-V258 PolarHBondContact O-N 3.36Å; V258-A260 PolarHBondContact O-N 2.85Å; V258-R261 WeakPolarHBondContact O-CB 3.17Å; V258-R261 WeakPolarHBondContact O-CG 3.28Å; V258-R261 PolarHBondContact O-N 2.95Å; V258-R261 VanDerWaalsContact O-N 3.1Å; V258-F268 HydrophobicContact CG1-CB 3.5Å; V258-F268 HydrophobicContact CG1-CD1 3.32Å; V258-F268 HydrophobicContact CG1-CD2 4.25Å; V258-F268 HydrophobicContact CG1-CE1 4.03Å; V258-F268 HydrophobicContact CG1-CG 3.46Å; V258-F268 VanDerWaalsContact CG1-CG 3.46Å
259	A	82.8	Confident	77.5	Confident	65 Å²	65	81.2 Å²	81.2	54%	0.537	43%	0.426	S	S	.	.	H	α-helix	trans	-60.6	-29.9	177.4	0	0	0	0	0	113.3	F239 A255 E256 R261	F239-A259 HydrophobicContact CE1-CB 4.18Å; A255-A259 WeakPolarHBondContact O-CB 3.45Å; A255-A259 PolarHBondContact O-N 3.48Å; E256-A259 PolarHBondContact O-N 2.89Å; A259-R261 VanDerWaalsContact C-N 3.28Å; A259-R261 PolarHBondContact O-N 2.9Å
260	A	82	Confident	77.1	Confident	71 Å²	71	87 Å²	87	59%	0.587	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-9.8	177.2	0	0	0	0	0	114.8	E256 V258 K262	E256-A260 VanDerWaalsContact O-CB 3.3Å; E256-A260 WeakPolarHBondContact O-CB 3.49Å; E256-A260 PolarHBondContact O-N 2.94Å; V258-A260 PolarHBondContact O-N 2.85Å; A260-K262 PolarHBondContact O-N 3.29Å
261	R	75.3	Confident	76.9	Confident	128 Å²	128	90.6 Å²	90.6	48%	0.483	46%	0.463	S	S	.	.			trans	-74.3	111.5	-172.6	-63.8	179.9	-174.4	-170.3	0.9	112	A257 V258 A259	A257-R261 VanDerWaalsContact O-CG 3.29Å; A257-R261 WeakPolarHBondContact O-CG 3.49Å; A257-R261 PolarHBondContact O-NE 3.1Å; V258-R261 WeakPolarHBondContact O-CB 3.17Å; V258-R261 WeakPolarHBondContact O-CG 3.28Å; V258-R261 PolarHBondContact O-N 2.95Å; V258-R261 VanDerWaalsContact O-N 3.1Å; A259-R261 VanDerWaalsContact C-N 3.28Å; A259-R261 PolarHBondContact O-N 2.9Å
262	K	61.9	Low	76.9	Confident	200 Å²	200	89.1 Å²	89.1	87%	0.87	46%	0.455	S	S	*	.			trans	-111.8	121.2	174.6	-65.7	179.6	-179	178.1	0	110.6	A260	A260-K262 PolarHBondContact O-N 3.29Å
263	G	59.4	Low	77.2	Confident	47 Å²	47	86.6 Å²	86.6	49%	0.485	45%	0.445	S	S	.	.	S	Bend	trans	174.7	154.6	176.3	0	0	0	0	0	113	Y265 S266	G263-Y265 PolarHBondContact O-N 3.4Å; G263-S266 PolarHBondContact O-N 2.86Å
264	N	52.1	Low	77.5	Confident	153 Å²	153	80.9 Å²	80.9	82%	0.818	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-8.4	-169.2	-75.9	11.4	0	0	0	116.9
265	Y	51.9	Low	77.8	Confident	206 Å²	206	78.3 Å²	78.3	81%	0.808	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.8	17.1	-173.1	-59.8	-70.1	0	0	0	113.6	G263	G263-Y265 PolarHBondContact O-N 3.4Å
266	S	55.5	Low	78	Confident	42 Å²	42	78 Å²	78	29%	0.294	41%	0.406	S	S	.	.			trans	-147.3	46.4	-173.8	70.4	0	0	0	0	113.4	G263 F268	G263-S266 PolarHBondContact O-N 2.86Å; S266-F268 PolarHBondContact O-N 2.83Å
267	S	66.9	Low	78.3	Confident	45 Å²	45	72.8 Å²	72.8	32%	0.315	38%	0.382	S	S	.	.			trans	-65.4	117.5	163.1	40.9	0	0	0	0	110	S242	S242-S267 PolarHBondContact N-O 3.33Å
268	F	78.9	Confident	78.5	Confident	39 Å²	39	71.5 Å²	71.5	17%	0.171	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	112.4	163.3	-76	-107.7	0	0	0	106.6	F239 L240 V241 F247 V258 S266	F239-F268 HydrophobicContact CB-CB 4.41Å; F239-F268 HydrophobicContact CB-CD1 4.21Å; F239-F268 HydrophobicContact CD1-CB 4.22Å; L240-F268 CarbonylContact O-C 3.26Å; L240-F268 WeakPolarHBondContact O-CA 3.48Å; V241-F268 HydrophobicContact CB-CD1 4.46Å; V241-F268 HydrophobicContact CB-CE1 4.31Å; V241-F268 HydrophobicContact CG1-CD1 4.41Å; V241-F268 HydrophobicContact CG1-CE1 4.01Å; V241-F268 HydrophobicContact CG1-CE2 4.24Å; V241-F268 HydrophobicContact CG1-CZ 3.9Å; V241-F268 HydrophobicContact CG2-CD1 3.63Å; V241-F268 HydrophobicContact CG2-CE1 3.43Å; V241-F268 VanDerWaalsContact CG2-CE1 3.43Å; V241-F268 HydrophobicContact CG2-CZ 4.18Å; F247-F268 HydrophobicContact CB-CE1 4.44Å; F247-F268 HydrophobicContact CD1-CD1 4.48Å; F247-F268 HydrophobicContact CD1-CE1 4.19Å; F247-F268 HydrophobicContact CG-CE1 4.18Å; V258-F268 HydrophobicContact CG1-CB 3.5Å; V258-F268 HydrophobicContact CG1-CD1 3.32Å; V258-F268 HydrophobicContact CG1-CD2 4.25Å; V258-F268 HydrophobicContact CG1-CE1 4.03Å; V258-F268 HydrophobicContact CG1-CG 3.46Å; V258-F268 VanDerWaalsContact CG1-CG 3.46Å; S266-F268 PolarHBondContact O-N 2.83Å
269	W	80.3	Confident	78.3	Confident	142 Å²	142	77.6 Å²	77.6	54%	0.538	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	115.8	-179.1	-49.3	96.6	0	0	0	109.3	F239 L240 D243 Q271	F239-W269 CarbonylContact C-O 3.58Å; F239-W269 VanDerWaalsContact CA-O 3.24Å; F239-W269 WeakPolarHBondContact CA-O 3.18Å; L240-W269 HydrophobicContact CB-CB 4.34Å; L240-W269 PolarHBondContact N-O 3.49Å; L240-W269 PolarHBondContact O-N 2.02Å; D243-W269 PolarHBondContact OD1-NE1 2.05Å; W269-Q271 PolarHBondContact O-N 3.37Å
270	Y	86.6	Confident	77.4	Confident	122 Å²	122	79.8 Å²	79.8	48%	0.478	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	136.1	176.4	-177.1	-122.8	0	0	0	110.9	Y237 N238 F239 G272	Y237-Y270 HydrophobicContact CD1-CE2 4.17Å; N238-Y270 WeakPolarHBondContact O-CD2 3.23Å; F239-Y270 HydrophobicContact CD1-CD2 4.23Å; F239-Y270 AromaticContact CE1-CD2 3.8Å; F239-Y270 HydrophobicContact CE1-CD2 3.8Å; F239-Y270 HydrophobicContact CE1-CG 4.3Å; F239-Y270 HydrophobicContact CE2-CD2 4.3Å; F239-Y270 AromaticContact CZ-CD2 3.83Å; F239-Y270 HydrophobicContact CZ-CD2 3.83Å; F239-Y270 HydrophobicContact CZ-CE2 4.49Å; Y270-G272 WeakPolarHBondContact CE2-O 2.97Å; Y270-G272 VanDerWaalsContact CZ-CA 3.43Å
271	Q	87.4	Confident	76.1	Confident	98 Å²	98	81.9 Å²	81.9	46%	0.458	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	-6.9	179.5	-63.8	-62.5	-91.3	0	0	113	N238 L240 W269	N238-Q271 HydrophobicContact CB-CB 4.2Å; N238-Q271 PolarHBondContact O-N 3.13Å; L240-Q271 HydrophobicContact CB-CG 4.4Å; L240-Q271 HydrophobicContact CD1-CG 4.29Å; L240-Q271 HydrophobicContact CG-CG 3.87Å; W269-Q271 PolarHBondContact O-N 3.37Å
272	G	88.8	Confident	74.3	Confident	18 Å²	18	78.6 Å²	78.6	19%	0.186	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	110.2	-163.2	-176.7	0	0	0	0	0	113.4	N238 Y270	N238-G272 PolarHBondContact N-O 2.9Å; Y270-G272 WeakPolarHBondContact CE2-O 2.97Å; Y270-G272 VanDerWaalsContact CZ-CA 3.43Å
273	I	91.6	Very high	73	Confident	61 Å²	61	77.2 Å²	77.2	31%	0.313	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	99.5	175	-62.7	161	0	0	0	107	A236 Y237 F275	A236-I273 WeakPolarHBondContact O-CA 3.01Å; Y237-I273 HydrophobicContact CD1-CD1 4.07Å; Y237-I273 HydrophobicContact CD1-CG1 3.73Å; Y237-I273 HydrophobicContact CE1-CD1 3.79Å; Y237-I273 HydrophobicContact CE1-CG1 3.99Å; I273-F275 WeakPolarHBondContact CG2-O 3.34Å
274	P	92.2	Very high	71.9	Confident	35 Å²	35	77.5 Å²	77.5	23%	0.227	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-12.5	-179.9	26.2	-35.2	0	0	0	115.2	A236 N238 Y248	A236-P274 VanDerWaalsContact O-CD 3.32Å; A236-P274 WeakPolarHBondContact O-CD 3.24Å; N238-P274 HydrophobicContact CB-CG 3.99Å; Y248-P274 HydrophobicContact CD1-CG 4.36Å; Y248-P274 HydrophobicContact CE1-CG 3.91Å
275	F	94.9	Very high	71.3	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	163	174.8	53.5	-85.8	0	0	0	111.9	L148 F169 L186 T201 V223 V224 D225 A236 Y248 I273 L277	L148-F275 HydrophobicContact CD1-CZ 4.02Å; F169-F275 HydrophobicContact CE1-CE2 4.09Å; F169-F275 HydrophobicContact CE1-CZ 4.34Å; L186-F275 HydrophobicContact CD1-CD1 3.56Å; L186-F275 HydrophobicContact CD1-CE1 3.75Å; L186-F275 HydrophobicContact CD1-CG 4Å; L186-F275 HydrophobicContact CD1-CZ 4.29Å; L186-F275 HydrophobicContact CD2-CD1 4.43Å; L186-F275 HydrophobicContact CD2-CD2 4.2Å; L186-F275 HydrophobicContact CD2-CE1 4.1Å; L186-F275 HydrophobicContact CD2-CE2 3.82Å; L186-F275 HydrophobicContact CD2-CZ 3.78Å; T201-F275 HydrophobicContact CG2-CB 4.1Å; V223-F275 HydrophobicContact CB-CB 4.19Å; V223-F275 HydrophobicContact CB-CD2 4.43Å; V223-F275 HydrophobicContact CG1-CD2 4.09Å; V223-F275 HydrophobicContact CG2-CB 3.75Å; V223-F275 HydrophobicContact CG2-CG 4.28Å; V224-F275 WeakPolarHBondContact O-CA 3.43Å; D225-F275 CarbonylContact O-C 3.57Å; D225-F275 VanDerWaalsContact O-CA 3.25Å; D225-F275 WeakPolarHBondContact O-CA 3.27Å; A236-F275 HydrophobicContact CB-CD1 4.48Å; A236-F275 HydrophobicContact CB-CD2 3.75Å; A236-F275 HydrophobicContact CB-CE1 4.28Å; A236-F275 HydrophobicContact CB-CE2 3.52Å; A236-F275 HydrophobicContact CB-CG 4.23Å; A236-F275 HydrophobicContact CB-CZ 3.8Å; A236-F275 VanDerWaalsContact CB-O 3.24Å; A236-F275 WeakPolarHBondContact CB-O 3.33Å; A236-F275 PolarHBondContact N-O 2.63Å; Y248-F275 HydrophobicContact CD1-CE1 4.34Å; Y248-F275 HydrophobicContact CE1-CE1 4.23Å; I273-F275 WeakPolarHBondContact CG2-O 3.34Å; F275-L277 HydrophobicContact CD2-CD2 3.91Å; F275-L277 HydrophobicContact CE2-CD2 3.73Å
276	A	92.9	Very high	70.8	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	158.1	168.2	0	0	0	0	0	112.3	V224 D225 D226 E227 V234	V224-A276 HydrophobicContact CG2-CB 4.2Å; V224-A276 PolarHBondContact N-O 2.85Å; V224-A276 PolarHBondContact O-N 3.07Å; D225-A276 PolarHBondContact O-N 3.41Å; D226-A276 WeakPolarHBondContact O-CB 3.49Å; E227-A276 HydrophobicContact CB-CB 4.26Å; V234-A276 WeakPolarHBondContact O-CA 3.25Å
277	L	92.7	Very high	70.5	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	178	-166.3	58.9	112.2	0	0	0	111.2	F169 G170 Y171 S233 V234 A236 F275	F169-L277 HydrophobicContact CD1-CD1 4.37Å; F169-L277 HydrophobicContact CD1-CD2 3.77Å; F169-L277 HydrophobicContact CE1-CD2 3.57Å; G170-L277 VanDerWaalsContact CA-CD1 3.45Å; Y171-L277 WeakPolarHBondContact O-CB 3.06Å; S233-L277 PolarHBondContact N-O 2.58Å; V234-L277 HydrophobicContact CB-CD1 4.04Å; V234-L277 HydrophobicContact CB-CG 4.11Å; V234-L277 HydrophobicContact CG1-CD1 4.14Å; V234-L277 HydrophobicContact CG1-CG 4.35Å; V234-L277 PolarHBondContact N-O 3.33Å; V234-L277 PolarHBondContact O-N 2.98Å; A236-L277 HydrophobicContact CB-CD2 3.9Å; F275-L277 HydrophobicContact CD2-CD2 3.91Å; F275-L277 HydrophobicContact CE2-CD2 3.73Å
278	W	90	Very high	69.6	Low	27 Å²	27	81.1 Å²	81.1	10%	0.102	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-105.2	146.9	-172.4	-63.2	-98.2	0	0	0	112	L132 Y171 L183 V224 C230 S231	L132-W278 HydrophobicContact CD1-CB 3.64Å; L132-W278 HydrophobicContact CD1-CD2 4.47Å; L132-W278 HydrophobicContact CD1-CG 3.79Å; L132-W278 HydrophobicContact CD2-CB 4.04Å; L132-W278 HydrophobicContact CD2-CD2 3.65Å; L132-W278 HydrophobicContact CD2-CE3 3.59Å; L132-W278 HydrophobicContact CD2-CG 3.83Å; L132-W278 HydrophobicContact CD2-CZ3 4.4Å; L132-W278 HydrophobicContact CG-CG 4.49Å; Y171-W278 WeakPolarHBondContact CB-O 3.15Å; Y171-W278 PolarHBondContact N-O 3.13Å; Y171-W278 PolarHBondContact O-N 2.87Å; L183-W278 HydrophobicContact CD2-CH2 3.63Å; L183-W278 HydrophobicContact CD2-CZ2 4.49Å; L183-W278 HydrophobicContact CD2-CZ3 4.29Å; V224-W278 HydrophobicContact CG1-CH2 4.12Å; V224-W278 HydrophobicContact CG1-CZ2 4.36Å; V224-W278 HydrophobicContact CG2-CH2 4.39Å; C230-W278 HydrophobicContact CB-CZ2 4.37Å; C230-W278 PolarHBondContact O-NE1 3.45Å; S231-W278 VanDerWaalsContact C-NE1 3.28Å; S231-W278 PolarHBondContact O-NE1 2.89Å
279	W	81.2	Confident	67.9	Low	131 Å²	131	83.4 Å²	83.4	50%	0.496	42%	0.421	S	S	.	.			trans	-97.4	125.6	163.3	-159.2	-112.4	0	0	0	110.7	S233 V234 I281	S233-W279 PolarHBondContact OG-N 3.11Å; V234-W279 HydrophobicContact CG2-CB 3.79Å; V234-W279 HydrophobicContact CG2-CE3 4.3Å; W279-I281 PolarHBondContact O-N 3.37Å
280	K	63.3	Low	66.5	Low	111 Å²	111	80.4 Å²	80.4	48%	0.483	42%	0.415	S	S	.	.			trans	-75.9	98.6	175.7	-173.5	173.8	-176.7	169.5	0	109.4	Y171 G282	Y171-K280 HydrophobicContact CD1-CB 3.9Å; Y171-K280 HydrophobicContact CD1-CD 3.96Å; Y171-K280 HydrophobicContact CD2-CB 3.51Å; Y171-K280 VanDerWaalsContact CD2-N 3.31Å; Y171-K280 HydrophobicContact CE1-CB 3.67Å; Y171-K280 HydrophobicContact CE1-CD 3.38Å; Y171-K280 HydrophobicContact CE1-CG 4.21Å; Y171-K280 HydrophobicContact CE2-CB 3.26Å; Y171-K280 HydrophobicContact CE2-CD 4.45Å; Y171-K280 HydrophobicContact CE2-CG 4.5Å; Y171-K280 HydrophobicContact CG-CB 3.85Å; K280-G282 PolarHBondContact O-N 2.84Å
281	I	53.4	Low	64.9	Low	114 Å²	114	78.3 Å²	78.3	59%	0.585	41%	0.411	S	S	*	.			trans	-63.3	96.5	-179.5	-47.5	174.5	0	0	0	110.2	W279 V284	W279-I281 PolarHBondContact O-N 3.37Å; I281-V284 HydrophobicContact CB-CG2 4.17Å; I281-V284 HydrophobicContact CG2-CG2 3.33Å
282	G	38.5	Very low	63.3	Low	59 Å²	59	80.2 Å²	80.2	61%	0.608	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	136.4	164.7	0	0	0	0	0	109.3	K280	K280-G282 PolarHBondContact O-N 2.84Å
283	I	34.4	Very low	61.5	Low	172 Å²	172	82 Å²	82	88%	0.882	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	35.5	177.7	-31.2	174.7	0	0	0	115.7
284	V	37.3	Very low	59.7	Low	53 Å²	53	82.9 Å²	82.9	32%	0.321	44%	0.436	S	S	.	.			trans	-143.1	29.7	147.2	-90.8	0	0	0	0	114.7	I281 N286 M287 L288	I281-V284 HydrophobicContact CB-CG2 4.17Å; I281-V284 HydrophobicContact CG2-CG2 3.33Å; V284-N286 PolarHBondContact O-N 3.33Å; V284-N286 VanDerWaalsContact O-N 3.17Å; V284-M287 HydrophobicContact CB-CB 3.96Å; V284-M287 HydrophobicContact CG1-CB 3.62Å; V284-M287 HydrophobicContact CG1-CE 4.45Å; V284-M287 HydrophobicContact CG1-CG 3.86Å; V284-M287 PolarHBondContact O-N 2.91Å; V284-L288 PolarHBondContact O-N 3.41Å
285	K	38.8	Very low	57.7	Low	175 Å²	175	86.2 Å²	86.2	76%	0.761	45%	0.451	S	S	*	.	H	α-helix	trans	-58.2	-27.6	170	-99.7	-158.3	170.3	-159.5	0	113.8
286	N	41.5	Very low	55.7	Low	127 Å²	127	91 Å²	91	68%	0.679	48%	0.477	S	S	*	.	H	α-helix	trans	-72	-51.8	166.6	-87.8	17.1	0	0	0	111.5	V284 L288 S289 I290	V284-N286 PolarHBondContact O-N 3.33Å; V284-N286 VanDerWaalsContact O-N 3.17Å; N286-L288 VanDerWaalsContact C-N 3.34Å; N286-L288 PolarHBondContact O-N 2.9Å; N286-S289 PolarHBondContact O-N 3.06Å; N286-I290 HydrophobicContact CB-CD1 4.05Å; N286-I290 WeakPolarHBondContact O-CB 2.98Å; N286-I290 WeakPolarHBondContact O-CG1 3.31Å; N286-I290 PolarHBondContact O-N 3.02Å
287	M	48.3	Very low	53.5	Low	97 Å²	97	93.2 Å²	93.2	48%	0.478	50%	0.495	S	S	.	.	H	α-helix	trans	-67.8	-24.6	-175.7	-67.3	-119.2	-70.5	0	0	114.5	V284 L291	V284-M287 HydrophobicContact CB-CB 3.96Å; V284-M287 HydrophobicContact CG1-CB 3.62Å; V284-M287 HydrophobicContact CG1-CE 4.45Å; V284-M287 HydrophobicContact CG1-CG 3.86Å; V284-M287 PolarHBondContact O-N 2.91Å; M287-L291 WeakPolarHBondContact O-CA 3.23Å; M287-L291 WeakPolarHBondContact O-CB 3.46Å; M287-L291 WeakPolarHBondContact O-CD1 3.46Å; M287-L291 WeakPolarHBondContact O-CG 3.35Å; M287-L291 PolarHBondContact O-N 2.96Å
288	L	47.9	Very low	51.3	Low	123 Å²	123	99.5 Å²	99.5	64%	0.644	52%	0.524	S	S	*	.	H	α-helix	trans	-77.6	-37.9	174.8	-146.5	74.9	0	0	0	112.6	V284 N286 L291 F292	V284-L288 PolarHBondContact O-N 3.41Å; N286-L288 VanDerWaalsContact C-N 3.34Å; N286-L288 PolarHBondContact O-N 2.9Å; L288-L291 HydrophobicContact CD1-CD1 4.48Å; L288-L291 PolarHBondContact O-N 2.99Å; L288-F292 PolarHBondContact O-N 3.47Å
289	S	44.4	Very low	49.4	Very low	86 Å²	86	104.8 Å²	104.8	60%	0.601	55%	0.553	S	S	*	*	H	α-helix	trans	-73.5	-31.1	171	-65.6	0	0	0	0	112.6	N286 A293	N286-S289 PolarHBondContact O-N 3.06Å; S289-A293 WeakPolarHBondContact O-CB 3.46Å; S289-A293 PolarHBondContact O-N 3.16Å
290	I	51	Low	47.5	Very low	80 Å²	80	102.9 Å²	102.9	41%	0.41	57%	0.565	S	S	.	*	H	α-helix	trans	-73.1	-33.2	170.3	-68.4	168	0	0	0	110.3	N286 A293 L294	N286-I290 HydrophobicContact CB-CD1 4.05Å; N286-I290 WeakPolarHBondContact O-CB 2.98Å; N286-I290 WeakPolarHBondContact O-CG1 3.31Å; N286-I290 PolarHBondContact O-N 3.02Å; I290-A293 CarbonylContact O-C 3.38Å; I290-A293 PolarHBondContact O-N 2.62Å; I290-L294 HydrophobicContact CG2-CD1 3.62Å; I290-L294 HydrophobicContact CG2-CG 3.95Å; I290-L294 WeakPolarHBondContact O-CA 3.25Å; I290-L294 WeakPolarHBondContact O-CB 3.05Å; I290-L294 WeakPolarHBondContact O-CG 3.46Å; I290-L294 PolarHBondContact O-N 2.88Å
291	L	52.9	Low	46.3	Very low	77 Å²	77	99.3 Å²	99.3	40%	0.403	56%	0.559	S	S	.	*	H	α-helix	trans	-69.7	-38.5	171.5	-83	164.4	0	0	0	111.1	M287 L288 L294 L295	M287-L291 WeakPolarHBondContact O-CA 3.23Å; M287-L291 WeakPolarHBondContact O-CB 3.46Å; M287-L291 WeakPolarHBondContact O-CD1 3.46Å; M287-L291 WeakPolarHBondContact O-CG 3.35Å; M287-L291 PolarHBondContact O-N 2.96Å; L288-L291 HydrophobicContact CD1-CD1 4.48Å; L288-L291 PolarHBondContact O-N 2.99Å; L291-L294 CarbonylContact O-C 3.59Å; L291-L294 PolarHBondContact O-N 3.16Å; L291-L295 WeakPolarHBondContact O-CB 3.31Å; L291-L295 PolarHBondContact O-N 3Å
292	F	52.6	Low	45.5	Very low	139 Å²	139	99 Å²	99	61%	0.61	57%	0.574	S	S	*	*	H	α-helix	trans	-68.7	-39.3	173.4	-151.9	-100.6	0	0	0	111.6	L288 L295 L296	L288-F292 PolarHBondContact O-N 3.47Å; F292-L295 PolarHBondContact O-N 3.44Å; F292-L296 HydrophobicContact CD1-CD1 3.84Å; F292-L296 HydrophobicContact CD1-CG 4.45Å; F292-L296 HydrophobicContact CE1-CD1 3.92Å; F292-L296 HydrophobicContact CE1-CG 4.49Å; F292-L296 WeakPolarHBondContact O-CB 3.24Å; F292-L296 VanDerWaalsContact O-CG 3.3Å; F292-L296 WeakPolarHBondContact O-CG 3.46Å; F292-L296 PolarHBondContact O-N 3.08Å
293	A	52.5	Low	45.5	Very low	55 Å²	55	99.7 Å²	99.7	46%	0.455	57%	0.574	S	S	.	*	H	α-helix	trans	-69.7	-31.8	173.6	0	0	0	0	0	113.3	S289 I290 A297	S289-A293 WeakPolarHBondContact O-CB 3.46Å; S289-A293 PolarHBondContact O-N 3.16Å; I290-A293 CarbonylContact O-C 3.38Å; I290-A293 PolarHBondContact O-N 2.62Å; A293-A297 WeakPolarHBondContact O-CA 3.49Å; A293-A297 WeakPolarHBondContact O-CB 3.43Å; A293-A297 PolarHBondContact O-N 3.2Å
294	L	52.6	Low	45.9	Very low	80 Å²	80	94 Å²	94	42%	0.419	56%	0.558	S	S	.	*	H	α-helix	trans	-81.6	-24.8	173.6	-74.7	175.6	0	0	0	112.2	I290 L291 A297 H298	I290-L294 HydrophobicContact CG2-CD1 3.62Å; I290-L294 HydrophobicContact CG2-CG 3.95Å; I290-L294 WeakPolarHBondContact O-CA 3.25Å; I290-L294 WeakPolarHBondContact O-CB 3.05Å; I290-L294 WeakPolarHBondContact O-CG 3.46Å; I290-L294 PolarHBondContact O-N 2.88Å; L291-L294 CarbonylContact O-C 3.59Å; L291-L294 PolarHBondContact O-N 3.16Å; L294-A297 CarbonylContact O-C 3.56Å; L294-H298 WeakPolarHBondContact O-CA 3.14Å; L294-H298 WeakPolarHBondContact O-CB 3.36Å; L294-H298 PolarHBondContact O-CD2 3.39Å; L294-H298 PolarHBondContact O-N 3.21Å
295	L	50.9	Low	46.8	Very low	104 Å²	104	95.9 Å²	95.9	55%	0.545	57%	0.569	S	S	.	*	H	α-helix	trans	-72.2	-45.7	170.4	-165.7	70.3	0	0	0	109	L291 F292 A297 H298 I299	L291-L295 WeakPolarHBondContact O-CB 3.31Å; L291-L295 PolarHBondContact O-N 3Å; F292-L295 PolarHBondContact O-N 3.44Å; L295-A297 VanDerWaalsContact C-N 3.34Å; L295-A297 PolarHBondContact O-N 3.05Å; L295-H298 PolarHBondContact O-N 3.26Å; L295-I299 HydrophobicContact CG-CD1 4.47Å; L295-I299 WeakPolarHBondContact O-CB 3.36Å; L295-I299 WeakPolarHBondContact O-CD1 3.31Å; L295-I299 VanDerWaalsContact O-CG1 3.25Å; L295-I299 WeakPolarHBondContact O-CG1 3.48Å; L295-I299 PolarHBondContact O-N 2.85Å
296	L	52.3	Low	47.9	Very low	102 Å²	102	94.6 Å²	94.6	53%	0.534	57%	0.566	S	S	.	*	H	α-helix	trans	-62	-38.5	169.5	-69.5	170.8	0	0	0	112	F292 I299 A300	F292-L296 HydrophobicContact CD1-CD1 3.84Å; F292-L296 HydrophobicContact CD1-CG 4.45Å; F292-L296 HydrophobicContact CE1-CD1 3.92Å; F292-L296 HydrophobicContact CE1-CG 4.49Å; F292-L296 WeakPolarHBondContact O-CB 3.24Å; F292-L296 VanDerWaalsContact O-CG 3.3Å; F292-L296 WeakPolarHBondContact O-CG 3.46Å; F292-L296 PolarHBondContact O-N 3.08Å; L296-I299 PolarHBondContact O-N 3.2Å; L296-A300 WeakPolarHBondContact O-CB 3.3Å; L296-A300 PolarHBondContact O-N 2.9Å
297	A	46.7	Very low	49.6	Very low	46 Å²	46	90.1 Å²	90.1	38%	0.38	55%	0.545	S	S	.	.	H	α-helix	trans	-82.7	-8.1	175.5	0	0	0	0	0	114.7	A293 L294 L295 G301	A293-A297 WeakPolarHBondContact O-CA 3.49Å; A293-A297 WeakPolarHBondContact O-CB 3.43Å; A293-A297 PolarHBondContact O-N 3.2Å; L294-A297 CarbonylContact O-C 3.56Å; L295-A297 VanDerWaalsContact C-N 3.34Å; L295-A297 PolarHBondContact O-N 3.05Å; A297-G301 CarbonylContact O-C 3.55Å; A297-G301 WeakPolarHBondContact O-CA 3.42Å; A297-G301 PolarHBondContact O-N 2.81Å
298	H	47.6	Very low	51.4	Low	132 Å²	132	92.9 Å²	92.9	61%	0.611	55%	0.55	S	S	*	*	H	α-helix	trans	-87.3	-32.6	164.9	-82	-46.4	0	0	0	110.6	L294 L295 A300	L294-H298 WeakPolarHBondContact O-CA 3.14Å; L294-H298 WeakPolarHBondContact O-CB 3.36Å; L294-H298 PolarHBondContact O-CD2 3.39Å; L294-H298 PolarHBondContact O-N 3.21Å; L295-H298 PolarHBondContact O-N 3.26Å; H298-A300 VanDerWaalsContact C-N 3.31Å
299	I	49.7	Very low	53.3	Low	138 Å²	138	89.3 Å²	89.3	71%	0.708	53%	0.531	S	S	*	.	H	α-helix	trans	-70	-29.1	168.6	-65.1	163.8	0	0	0	111	L295 L296	L295-I299 HydrophobicContact CG-CD1 4.47Å; L295-I299 WeakPolarHBondContact O-CB 3.36Å; L295-I299 WeakPolarHBondContact O-CD1 3.31Å; L295-I299 VanDerWaalsContact O-CG1 3.25Å; L295-I299 WeakPolarHBondContact O-CG1 3.48Å; L295-I299 PolarHBondContact O-N 2.85Å; L296-I299 PolarHBondContact O-N 3.2Å
300	A	41.9	Very low	55.4	Low	90 Å²	90	87.3 Å²	87.3	74%	0.744	52%	0.515	S	S	*	.	S	Bend	trans	-109.4	2.2	179.6	0	0	0	0	0	115.7	L296 H298	L296-A300 WeakPolarHBondContact O-CB 3.3Å; L296-A300 PolarHBondContact O-N 2.9Å; H298-A300 VanDerWaalsContact C-N 3.31Å
301	G	37	Very low	57.1	Low	36 Å²	36	88.5 Å²	88.5	37%	0.371	53%	0.528	S	S	.	.			trans	-146.8	77	-170.1	0	0	0	0	0	112.6	A297 A303	A297-G301 CarbonylContact O-C 3.55Å; A297-G301 WeakPolarHBondContact O-CA 3.42Å; A297-G301 PolarHBondContact O-N 2.81Å; G301-A303 PolarHBondContact O-N 2.86Å; G301-A303 VanDerWaalsContact O-N 3.08Å
302	A	36	Very low	58.8	Low	108 Å²	108	85.4 Å²	85.4	89%	0.893	51%	0.512	S	S	*	.			trans	-75	95.6	-178.5	0	0	0	0	0	112.7
303	A	39.1	Very low	60.5	Low	74 Å²	74	80.9 Å²	80.9	61%	0.612	50%	0.497	S	S	*	.			trans	-131.7	54.6	161.2	0	0	0	0	0	109.4	G301 T305	G301-A303 PolarHBondContact O-N 2.86Å; G301-A303 VanDerWaalsContact O-N 3.08Å; A303-T305 PolarHBondContact O-N 2.65Å
304	G	43.1	Very low	62.2	Low	52 Å²	52	84.5 Å²	84.5	54%	0.536	51%	0.505	S	S	.	.			trans	-64.3	126.3	-165.2	0	0	0	0	0	114.1	Q306	G304-Q306 PolarHBondContact O-N 3.08Å
305	T	55.6	Low	63.9	Low	92 Å²	92	86.9 Å²	86.9	56%	0.564	51%	0.514	S	S	*	.			trans	-65.4	114.4	162.5	46.1	0	0	0	0	109.3	A303 S433	A303-T305 PolarHBondContact O-N 2.65Å; T305-S433 CarbonylContact C-O 3.45Å; T305-S433 VanDerWaalsContact CA-O 3.27Å; T305-S433 WeakPolarHBondContact CA-O 3.42Å
306	Q	62.4	Low	65.9	Low	148 Å²	148	84 Å²	84	69%	0.692	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	125.8	175.4	-72.3	-174.8	-17.1	0	0	109.8	G304 S433	G304-Q306 PolarHBondContact O-N 3.08Å; Q306-S433 PolarHBondContact N-O 3.45Å; Q306-S433 PolarHBondContact O-N 3.19Å
307	S	78.2	Confident	67.9	Low	34 Å²	34	81.4 Å²	81.4	24%	0.238	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	138.2	173	65.2	0	0	0	0	110.7	H354 C356 V431	S307-H354 WeakPolarHBondContact CB-O 3.21Å; S307-H354 PolarHBondContact OG-CE1 3.04Å; S307-H354 PolarHBondContact OG-ND1 2Å; S307-H354 PolarHBondContact OG-O 3.1Å; S307-C356 WeakPolarHBondContact CB-SG 3.3Å; S307-V431 CarbonylContact C-O 3.57Å; S307-V431 WeakPolarHBondContact CA-O 3.35Å
308	R	85.4	Confident	70.1	Confident	155 Å²	155	85.6 Å²	85.6	59%	0.585	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	111.3	175.4	-175.1	-176.1	72.4	104.8	-0.7	109.2	V310 S430 V431	R308-V310 PolarHBondContact O-N 3.49Å; R308-S430 CarbonylContact O-C 3.49Å; R308-S430 WeakPolarHBondContact O-CA 2.93Å; R308-V431 PolarHBondContact N-O 2.93Å; R308-V431 PolarHBondContact O-N 2.93Å
309	I	87.9	Confident	72.3	Confident	47 Å²	47	82 Å²	82	24%	0.241	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	134.4	169.6	-57.4	-53.3	0	0	0	109	Q350 A353 H354	I309-Q350 HydrophobicContact CG2-CG 4.49Å; I309-A353 HydrophobicContact CD1-CB 4Å; I309-H354 HydrophobicContact CD1-CB 3.99Å; I309-H354 HydrophobicContact CG1-CB 4.44Å
310	V	88.2	Confident	74.4	Confident	44 Å²	44	75.4 Å²	75.4	27%	0.267	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	112.7	167.5	179.1	0	0	0	0	106.5	R308 L312 V429 V431	R308-V310 PolarHBondContact O-N 3.49Å; V310-L312 PolarHBondContact O-N 3.29Å; V310-V429 HydrophobicContact CB-CB 4.07Å; V310-V429 HydrophobicContact CB-CG1 3.86Å; V310-V429 HydrophobicContact CG2-CG1 3.99Å; V310-V429 PolarHBondContact N-O 3.14Å; V310-V431 HydrophobicContact CG2-CG2 3.82Å
311	P	85.6	Confident	77	Confident	106 Å²	106	72.9 Å²	72.9	69%	0.688	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-68.2	126.1	179	28.1	-33.2	0	0	0	109.5
312	L	89.3	Confident	79.7	Confident	12 Å²	12	74.7 Å²	74.7	6%	0.063	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-74.5	136.8	175.8	-60.3	178.7	0	0	0	110.3	V310 D316 R317 I320 W341 V379 C427 V429	V310-L312 PolarHBondContact O-N 3.29Å; L312-D316 HydrophobicContact CB-CB 4.01Å; L312-D316 HydrophobicContact CD2-CB 3.97Å; L312-R317 HydrophobicContact CB-CG 4.41Å; L312-R317 VanDerWaalsContact O-CZ 3.3Å; L312-R317 PolarHBondContact O-NH1 3.4Å; L312-R317 PolarHBondContact O-NH2 2.76Å; L312-I320 HydrophobicContact CD1-CD1 3.9Å; L312-I320 HydrophobicContact CD2-CD1 4.23Å; L312-W341 HydrophobicContact CD1-CH2 4.1Å; L312-W341 HydrophobicContact CD1-CZ2 4.23Å; L312-V379 HydrophobicContact CD2-CG1 4.22Å; L312-C427 VanDerWaalsContact CD1-O 3.26Å; L312-C427 WeakPolarHBondContact CD1-O 3.29Å; L312-V429 HydrophobicContact CD2-CB 4.39Å; L312-V429 HydrophobicContact CD2-CG2 3.96Å
313	S	88.8	Confident	82.5	Confident	43 Å²	43	71.7 Å²	71.7	30%	0.301	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-74.3	168.3	165.5	64.3	0	0	0	0	111.2	E315 D316 R317	S313-E315 WeakPolarHBondContact CB-OE2 3.24Å; S313-E315 PolarHBondContact O-N 3.3Å; S313-D316 WeakPolarHBondContact CB-OD2 3.32Å; S313-D316 PolarHBondContact N-OD2 2.93Å; S313-D316 PolarHBondContact O-N 3.05Å; S313-D316 PolarHBondContact OG-N 3.36Å; S313-D316 PolarHBondContact OG-OD2 2.97Å; S313-R317 VanDerWaalsContact C-NH1 3.33Å; S313-R317 WeakPolarHBondContact O-CG 3.43Å; S313-R317 PolarHBondContact O-N 3.33Å; S313-R317 VanDerWaalsContact O-N 3.12Å; S313-R317 PolarHBondContact O-NH1 2.87Å
314	E	87.6	Confident	85.2	Confident	132 Å²	132	68.2 Å²	68.2	62%	0.617	36%	0.364	S	S	*	.	H	α-helix	trans	-63.3	-36.8	173.3	-67.8	-65.4	93.1	0	0	110.3	R317 E318	E314-R317 WeakPolarHBondContact O-CB 3.24Å; E314-R317 PolarHBondContact O-N 3.27Å; E314-R317 WeakPolarHBondContact OE1-CD 3.25Å; E314-R317 IonicContact OE1-CZ 2.75Å; E314-R317 IonicContact OE1-NE 3.75Å; E314-R317 IonicContact OE1-NH1 2.76Å; E314-R317 PolarHBondContact OE1-NH1 3.48Å; E314-E318 PolarHBondContact O-N 3.44Å
315	E	89.1	Confident	87.7	Confident	129 Å²	129	66.8 Å²	66.8	60%	0.603	34%	0.344	S	S	*	.	H	α-helix	trans	-61	-41.1	174.2	-61.7	83.5	169.5	0	0	111.7	S313 E318 V319	S313-E315 WeakPolarHBondContact CB-OE2 3.24Å; S313-E315 PolarHBondContact O-N 3.3Å; E315-E318 PolarHBondContact O-N 2.84Å; E315-V319 VanDerWaalsContact O-CG2 3.3Å; E315-V319 WeakPolarHBondContact O-CG2 3.44Å; E315-V319 PolarHBondContact O-N 3.27Å
316	D	92.6	Very high	89.5	Confident	45 Å²	45	68.3 Å²	68.3	24%	0.241	34%	0.342	C	S	.	.	H	α-helix	trans	-64.9	-40.2	173.6	-66.4	-60.8	0	0	0	112.1	L312 S313 V319 I320 V379	L312-D316 HydrophobicContact CB-CB 4.01Å; L312-D316 HydrophobicContact CD2-CB 3.97Å; S313-D316 WeakPolarHBondContact CB-OD2 3.32Å; S313-D316 PolarHBondContact N-OD2 2.93Å; S313-D316 PolarHBondContact O-N 3.05Å; S313-D316 PolarHBondContact OG-N 3.36Å; S313-D316 PolarHBondContact OG-OD2 2.97Å; D316-V319 PolarHBondContact O-N 2.8Å; D316-I320 WeakPolarHBondContact O-CB 3.2Å; D316-I320 WeakPolarHBondContact O-CD1 3.36Å; D316-I320 VanDerWaalsContact O-CG1 3.24Å; D316-I320 WeakPolarHBondContact O-CG1 3.4Å; D316-I320 PolarHBondContact O-N 3.22Å; D316-V379 HydrophobicContact CB-CG1 4.24Å; D316-V379 HydrophobicContact CB-CG2 4.07Å; D316-V379 WeakPolarHBondContact OD1-CG1 3.44Å
317	R	94.3	Very high	91.1	Very high	46 Å²	46	62 Å²	62	17%	0.174	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-44.8	176.1	-65	177.9	-178.6	76.9	28	110.8	L312 S313 E314 L321 W341 E346	L312-R317 HydrophobicContact CB-CG 4.41Å; L312-R317 VanDerWaalsContact O-CZ 3.3Å; L312-R317 PolarHBondContact O-NH1 3.4Å; L312-R317 PolarHBondContact O-NH2 2.76Å; S313-R317 VanDerWaalsContact C-NH1 3.33Å; S313-R317 WeakPolarHBondContact O-CG 3.43Å; S313-R317 PolarHBondContact O-N 3.33Å; S313-R317 VanDerWaalsContact O-N 3.12Å; S313-R317 PolarHBondContact O-NH1 2.87Å; E314-R317 WeakPolarHBondContact O-CB 3.24Å; E314-R317 PolarHBondContact O-N 3.27Å; E314-R317 WeakPolarHBondContact OE1-CD 3.25Å; E314-R317 IonicContact OE1-CZ 2.75Å; E314-R317 IonicContact OE1-NE 3.75Å; E314-R317 IonicContact OE1-NH1 2.76Å; E314-R317 PolarHBondContact OE1-NH1 3.48Å; R317-L321 VanDerWaalsContact O-CB 3.28Å; R317-L321 WeakPolarHBondContact O-CB 3.35Å; R317-L321 PolarHBondContact O-N 3.36Å; R317-W341 HydrophobicContact CB-CD2 4.17Å; R317-W341 HydrophobicContact CB-CE3 4.4Å; R317-W341 HydrophobicContact CB-CH2 4.44Å; R317-W341 HydrophobicContact CB-CZ2 4.24Å; R317-W341 HydrophobicContact CG-CD2 4.34Å; R317-W341 HydrophobicContact CG-CH2 4.21Å; R317-W341 HydrophobicContact CG-CZ2 3.68Å; R317-E346 IonicContact CZ-OE1 3.56Å; R317-E346 IonicContact CZ-OE2 3.58Å; R317-E346 IonicContact NE-OE1 3.67Å; R317-E346 PolarHBondContact NE-OE1 2.85Å; R317-E346 IonicContact NE-OE2 3.63Å; R317-E346 PolarHBondContact NE-OE2 2.78Å; R317-E346 IonicContact NH2-OE1 2.81Å; R317-E346 PolarHBondContact NH2-OE1 2.8Å; R317-E346 IonicContact NH2-OE2 3.26Å
318	E	92.2	Very high	91.9	Very high	134 Å²	134	60.5 Å²	60.5	63%	0.626	30%	0.303	S	S	*	.	H	α-helix	trans	-64	-43.8	177.8	-171.4	174.4	-177	0	0	111.9	E314 E315 T322	E314-E318 PolarHBondContact O-N 3.44Å; E315-E318 PolarHBondContact O-N 2.84Å; E318-T322 WeakPolarHBondContact O-CB 3.25Å; E318-T322 PolarHBondContact O-N 3.2Å; E318-T322 PolarHBondContact O-OG1 3.44Å
319	V	93.8	Very high	92.2	Very high	56 Å²	56	53.2 Å²	53.2	34%	0.339	28%	0.276	S	S	.	.	H	α-helix	trans	-65.3	-46.3	176.9	171.7	0	0	0	0	111.7	E315 D316 T322 E323 V379	E315-V319 VanDerWaalsContact O-CG2 3.3Å; E315-V319 WeakPolarHBondContact O-CG2 3.44Å; E315-V319 PolarHBondContact O-N 3.27Å; D316-V319 PolarHBondContact O-N 2.8Å; V319-T322 PolarHBondContact O-N 2.79Å; V319-E323 HydrophobicContact CG1-CG 4.43Å; V319-E323 WeakPolarHBondContact O-CB 3.42Å; V319-E323 PolarHBondContact O-N 3.03Å; V319-V379 HydrophobicContact CB-CG2 4.04Å; V319-V379 HydrophobicContact CG1-CG2 3.83Å
320	I	95	Very high	92.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-47.1	177.8	-67	163.7	0	0	0	110.3	L312 D316 T322 V324 W341 V379 L443	L312-I320 HydrophobicContact CD1-CD1 3.9Å; L312-I320 HydrophobicContact CD2-CD1 4.23Å; D316-I320 WeakPolarHBondContact O-CB 3.2Å; D316-I320 WeakPolarHBondContact O-CD1 3.36Å; D316-I320 VanDerWaalsContact O-CG1 3.24Å; D316-I320 WeakPolarHBondContact O-CG1 3.4Å; D316-I320 PolarHBondContact O-N 3.22Å; I320-T322 PolarHBondContact O-N 2.75Å; I320-V324 HydrophobicContact CG2-CG2 4.26Å; I320-V324 VanDerWaalsContact O-CB 3.27Å; I320-V324 WeakPolarHBondContact O-CB 3.43Å; I320-V324 WeakPolarHBondContact O-CG2 3.38Å; I320-V324 PolarHBondContact O-N 2.97Å; I320-W341 HydrophobicContact CB-CZ3 4.09Å; I320-W341 HydrophobicContact CD1-CH2 4.42Å; I320-W341 HydrophobicContact CG2-CH2 4.43Å; I320-W341 HydrophobicContact CG2-CZ3 3.88Å; I320-V379 HydrophobicContact CD1-CB 4Å; I320-V379 HydrophobicContact CD1-CG1 4.28Å; I320-V379 HydrophobicContact CD1-CG2 4.19Å; I320-V379 HydrophobicContact CG1-CB 3.81Å; I320-V379 HydrophobicContact CG1-CG2 3.74Å; I320-L443 HydrophobicContact CD1-CD1 4.25Å
321	L	95.5	Very high	92.5	Very high	38 Å²	38	54.5 Å²	54.5	20%	0.199	29%	0.29	C	S	.	.	H	α-helix	trans	-62.4	-44.5	179.9	-174.2	67.3	0	0	0	111.7	R317 N325 L339 W341 I425	R317-L321 VanDerWaalsContact O-CB 3.28Å; R317-L321 WeakPolarHBondContact O-CB 3.35Å; R317-L321 PolarHBondContact O-N 3.36Å; L321-N325 VanDerWaalsContact O-CB 3.31Å; L321-N325 WeakPolarHBondContact O-CB 3.5Å; L321-N325 PolarHBondContact O-N 3.41Å; L321-N325 PolarHBondContact O-ND2 3.5Å; L321-L339 HydrophobicContact CD1-CB 4.2Å; L321-W341 HydrophobicContact CB-CE3 4.34Å; L321-W341 HydrophobicContact CD2-CB 4.33Å; L321-I425 HydrophobicContact CD1-CG2 3.56Å
322	T	94	Very high	92.6	Very high	73 Å²	73	50.6 Å²	50.6	45%	0.448	27%	0.269	S	S	.	.	H	α-helix	trans	-65.8	-51.1	-178.4	-61.2	0	0	0	0	111.4	E318 V319 I320 N325 K326	E318-T322 WeakPolarHBondContact O-CB 3.25Å; E318-T322 PolarHBondContact O-N 3.2Å; E318-T322 PolarHBondContact O-OG1 3.44Å; V319-T322 PolarHBondContact O-N 2.79Å; I320-T322 PolarHBondContact O-N 2.75Å; T322-N325 PolarHBondContact O-N 3.49Å; T322-K326 VanDerWaalsContact O-CB 3.24Å; T322-K326 WeakPolarHBondContact O-CB 3.44Å; T322-K326 PolarHBondContact O-N 3.02Å
323	E	95.2	Very high	92.6	Very high	46 Å²	46	50.1 Å²	50.1	22%	0.215	27%	0.266	C	S	.	.	H	α-helix	trans	-69.5	-35.5	-178.3	-71	-62.4	143.3	0	0	112.2	V319 K326 L327 V383	V319-E323 HydrophobicContact CG1-CG 4.43Å; V319-E323 WeakPolarHBondContact O-CB 3.42Å; V319-E323 PolarHBondContact O-N 3.03Å; E323-K326 PolarHBondContact O-N 3.15Å; E323-K326 IonicContact OE1-NZ 3.38Å; E323-K326 PolarHBondContact OE1-NZ 3.41Å; E323-K326 WeakPolarHBondContact OE2-CD 3.43Å; E323-K326 IonicContact OE2-NZ 2.61Å; E323-K326 PolarHBondContact OE2-NZ 2.88Å; E323-L327 WeakPolarHBondContact O-CB 3.49Å; E323-L327 PolarHBondContact O-N 3.35Å; E323-V383 HydrophobicContact CB-CB 4.17Å; E323-V383 HydrophobicContact CB-CG1 4.09Å; E323-V383 HydrophobicContact CB-CG2 4.03Å
324	V	95.7	Very high	92.6	Very high	1 Å²	1	48 Å²	48	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-67.2	-40	173.4	173.4	0	0	0	0	111.4	I320 L327 R328 L339 V383 F417 I425	I320-V324 HydrophobicContact CG2-CG2 4.26Å; I320-V324 VanDerWaalsContact O-CB 3.27Å; I320-V324 WeakPolarHBondContact O-CB 3.43Å; I320-V324 WeakPolarHBondContact O-CG2 3.38Å; I320-V324 PolarHBondContact O-N 2.97Å; V324-L327 PolarHBondContact O-N 3.4Å; V324-R328 WeakPolarHBondContact O-CB 3.42Å; V324-R328 WeakPolarHBondContact O-CD 3.36Å; V324-R328 WeakPolarHBondContact O-CG 3.3Å; V324-R328 PolarHBondContact O-N 2.87Å; V324-L339 HydrophobicContact CG1-CD1 3.86Å; V324-V383 HydrophobicContact CG2-CG1 4.07Å; V324-V383 HydrophobicContact CG2-CG2 3.79Å; V324-F417 HydrophobicContact CG1-CD1 4.21Å; V324-F417 HydrophobicContact CG2-CD1 4.34Å; V324-F417 HydrophobicContact CG2-CE1 4.33Å; V324-I425 HydrophobicContact CG1-CD1 4.28Å
325	N	95.1	Very high	92.8	Very high	21 Å²	21	42.8 Å²	42.8	11%	0.112	23%	0.228	C	C	.	.	H	α-helix	trans	-65.8	-43.6	174.1	-85.6	-31.1	0	0	0	111.7	L321 T322 L327 R328 G329 L339 L477	L321-N325 VanDerWaalsContact O-CB 3.31Å; L321-N325 WeakPolarHBondContact O-CB 3.5Å; L321-N325 PolarHBondContact O-N 3.41Å; L321-N325 PolarHBondContact O-ND2 3.5Å; T322-N325 PolarHBondContact O-N 3.49Å; N325-L327 PolarHBondContact O-N 3.47Å; N325-R328 CarbonylContact O-C 3.58Å; N325-R328 WeakPolarHBondContact O-CA 3.49Å; N325-R328 WeakPolarHBondContact O-CB 3.34Å; N325-R328 PolarHBondContact O-N 3.09Å; N325-R328 VanDerWaalsContact O-N 3.08Å; N325-G329 PolarHBondContact O-N 2.79Å; N325-L339 PolarHBondContact ND2-O 3.32Å; N325-L339 WeakPolarHBondContact OD1-CB 3.4Å; N325-L339 PolarHBondContact OD1-N 2.7Å; N325-L477 HydrophobicContact CB-CD1 3.77Å
326	K	94.7	Very high	93	Very high	124 Å²	124	36.7 Å²	36.7	54%	0.539	20%	0.2	S	C	.	.	H	α-helix	trans	-59	-42.5	174.5	175.5	176.9	158.9	-138.3	0	112.5	T322 E323 G329 S330	T322-K326 VanDerWaalsContact O-CB 3.24Å; T322-K326 WeakPolarHBondContact O-CB 3.44Å; T322-K326 PolarHBondContact O-N 3.02Å; E323-K326 PolarHBondContact O-N 3.15Å; E323-K326 IonicContact OE1-NZ 3.38Å; E323-K326 PolarHBondContact OE1-NZ 3.41Å; E323-K326 WeakPolarHBondContact OE2-CD 3.43Å; E323-K326 IonicContact OE2-NZ 2.61Å; E323-K326 PolarHBondContact OE2-NZ 2.88Å; K326-G329 PolarHBondContact O-N 2.89Å; K326-S330 WeakPolarHBondContact O-CB 3.41Å; K326-S330 PolarHBondContact O-N 3.37Å
327	L	94.9	Very high	93	Very high	16 Å²	16	35.3 Å²	35.3	8%	0.084	19%	0.192	C	C	.	.	H	α-helix	trans	-59.2	-47.4	170.7	173.6	59	0	0	0	111.2	E323 V324 N325 G329 S330 V383 V386 A387	E323-L327 WeakPolarHBondContact O-CB 3.49Å; E323-L327 PolarHBondContact O-N 3.35Å; V324-L327 PolarHBondContact O-N 3.4Å; N325-L327 PolarHBondContact O-N 3.47Å; L327-G329 PolarHBondContact O-N 2.89Å; L327-S330 PolarHBondContact O-N 2.83Å; L327-S330 PolarHBondContact O-OG 2.86Å; L327-V383 HydrophobicContact CB-CG1 4.19Å; L327-V383 HydrophobicContact CD2-CG1 3.93Å; L327-V386 HydrophobicContact CD2-CB 3.99Å; L327-V386 HydrophobicContact CD2-CG1 3.71Å; L327-A387 HydrophobicContact CD1-CB 3.78Å; L327-A387 HydrophobicContact CD2-CB 4.48Å
328	R	95.1	Very high	92.9	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-61.4	-40.1	178.5	-72.7	165.7	63.3	77.6	4.2	112.8	V324 N325 V331 M336 E337 L339 F417 Y419 W420 L477	V324-R328 WeakPolarHBondContact O-CB 3.42Å; V324-R328 WeakPolarHBondContact O-CD 3.36Å; V324-R328 WeakPolarHBondContact O-CG 3.3Å; V324-R328 PolarHBondContact O-N 2.87Å; N325-R328 CarbonylContact O-C 3.58Å; N325-R328 WeakPolarHBondContact O-CA 3.49Å; N325-R328 WeakPolarHBondContact O-CB 3.34Å; N325-R328 PolarHBondContact O-N 3.09Å; N325-R328 VanDerWaalsContact O-N 3.08Å; R328-V331 WeakPolarHBondContact O-CB 3.37Å; R328-M336 HydrophobicContact CB-CE 4.4Å; R328-M336 HydrophobicContact CB-CG 3.77Å; R328-M336 HydrophobicContact CB-SD 3.99Å; R328-M336 HydrophobicContact CG-SD 4.23Å; R328-M336 VanDerWaalsContact CZ-SD 3.56Å; R328-M336 PolarHBondContact NH2-SD 3.19Å; R328-M336 WeakPolarHBondContact O-CE 3.41Å; R328-M336 WeakPolarHBondContact O-CG 3.49Å; R328-E337 PolarHBondContact NE-O 3.43Å; R328-E337 PolarHBondContact NH2-O 3.37Å; R328-L339 VanDerWaalsContact CD-CD1 3.48Å; R328-F417 WeakPolarHBondContact CG-O 3.48Å; R328-F417 PolarHBondContact NH1-O 3.28Å; R328-Y419 PolarHBondContact NH1-O 3.21Å; R328-Y419 PolarHBondContact NH2-O 2.93Å; R328-W420 PolarHBondContact NH2-O 2.84Å; R328-L477 HydrophobicContact CB-CD2 3.83Å
329	G	92.7	Very high	93	Very high	2 Å²	2	28.8 Å²	28.8	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-65.2	-44.7	175.2	0	0	0	0	0	112.2	N325 K326 L327 V331 G332 D475	N325-G329 PolarHBondContact O-N 2.79Å; K326-G329 PolarHBondContact O-N 2.89Å; L327-G329 PolarHBondContact O-N 2.89Å; G329-V331 PolarHBondContact O-N 2.87Å; G329-G332 PolarHBondContact O-N 2.87Å; G329-G332 VanDerWaalsContact O-N 3.12Å; G329-D475 WeakPolarHBondContact CA-O 3.33Å
330	S	92.5	Very high	93	Very high	88 Å²	88	31.3 Å²	31.3	62%	0.615	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-9.6	-179.5	76	0	0	0	0	115.7	K326 L327 G332	K326-S330 WeakPolarHBondContact O-CB 3.41Å; K326-S330 PolarHBondContact O-N 3.37Å; L327-S330 PolarHBondContact O-N 2.83Å; L327-S330 PolarHBondContact O-OG 2.86Å; S330-G332 VanDerWaalsContact C-N 3.28Å; S330-G332 PolarHBondContact O-N 2.86Å
331	V	90.1	Very high	92.9	Very high	30 Å²	30	33.5 Å²	33.5	18%	0.182	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-23.7	174.1	168.4	0	0	0	0	112.8	R328 G329 M336 T418 Y458	R328-V331 WeakPolarHBondContact O-CB 3.37Å; G329-V331 PolarHBondContact O-N 2.87Å; V331-M336 HydrophobicContact CB-CE 3.95Å; V331-M336 HydrophobicContact CG1-CE 3.9Å; V331-M336 HydrophobicContact CG2-CE 4.06Å; V331-T418 HydrophobicContact CG2-CG2 3.93Å; V331-Y458 HydrophobicContact CG1-CD1 3.76Å; V331-Y458 HydrophobicContact CG1-CD2 3.91Å; V331-Y458 HydrophobicContact CG1-CE1 3.35Å; V331-Y458 HydrophobicContact CG1-CE2 3.52Å; V331-Y458 HydrophobicContact CG1-CG 4.04Å; V331-Y458 HydrophobicContact CG2-CE1 4.45Å
332	G	87.3	Confident	92.8	Very high	25 Å²	25	33.3 Å²	33.3	26%	0.258	19%	0.185	S	C	.	.			trans	72.5	36.3	-176.9	0	0	0	0	0	113.6	G329 S330	G329-G332 PolarHBondContact O-N 2.87Å; G329-G332 VanDerWaalsContact O-N 3.12Å; S330-G332 VanDerWaalsContact C-N 3.28Å; S330-G332 PolarHBondContact O-N 2.86Å
333	S	88.2	Confident	92.6	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.007	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-89.9	143.1	-175.3	157.4	0	0	0	0	112.8	N335 M336 A459 E463 C464	S333-N335 VanDerWaalsContact C-N 3.3Å; S333-N335 PolarHBondContact O-N 3.38Å; S333-N335 PolarHBondContact OG-N 3.17Å; S333-N335 PolarHBondContact OG-OD1 3.33Å; S333-M336 PolarHBondContact OG-N 2.85Å; S333-M336 VanDerWaalsContact OG-N 3.17Å; S333-A459 PolarHBondContact OG-O 3.25Å; S333-E463 WeakPolarHBondContact O-CA 3.48Å; S333-C464 PolarHBondContact O-N 3.5Å; S333-C464 VanDerWaalsContact O-N 3.14Å
334	G	89.5	Confident	92.4	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-73.3	-15.1	176.9	0	0	0	0	0	115.3	A459 N462 C464 E465 F466	G334-A459 PolarHBondContact N-O 2.95Å; G334-N462 WeakPolarHBondContact CA-O 3.5Å; G334-N462 PolarHBondContact N-O 3.45Å; G334-C464 CarbonylContact O-C 3.54Å; G334-C464 VanDerWaalsContact O-C 3.29Å; G334-E465 PolarHBondContact O-N 3.04Å; G334-F466 CarbonylContact O-C 3.55Å; G334-F466 WeakPolarHBondContact O-CA 3.31Å; G334-F466 PolarHBondContact O-N 2.69Å
335	N	91.2	Very high	92.3	Very high	22 Å²	22	33.1 Å²	33.1	12%	0.118	19%	0.194	C	C	.	.	S	Bend	trans	-139.3	19.7	-174.8	75.1	-22.7	0	0	0	114.6	S333 E337 W420 A459 F466	S333-N335 VanDerWaalsContact C-N 3.3Å; S333-N335 PolarHBondContact O-N 3.38Å; S333-N335 PolarHBondContact OG-N 3.17Å; S333-N335 PolarHBondContact OG-OD1 3.33Å; N335-E337 PolarHBondContact O-N 2.69Å; N335-W420 HydrophobicContact CB-CE3 4.25Å; N335-W420 VanDerWaalsContact ND2-CG 3.27Å; N335-W420 VanDerWaalsContact OD1-CB 3.28Å; N335-W420 WeakPolarHBondContact OD1-CB 3.44Å; N335-A459 HydrophobicContact CB-CB 4.22Å; N335-A459 VanDerWaalsContact OD1-CB 3.29Å; N335-A459 WeakPolarHBondContact OD1-CB 3.36Å; N335-A459 PolarHBondContact OD1-N 2.98Å; N335-F466 HydrophobicContact CB-CB 4.29Å
336	M	93.4	Very high	92.2	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-69.6	117.7	-179.5	-168.9	74.8	74.4	0	0	110.8	R328 V331 S333 T418 Y458 L477 C478	R328-M336 HydrophobicContact CB-CE 4.4Å; R328-M336 HydrophobicContact CB-CG 3.77Å; R328-M336 HydrophobicContact CB-SD 3.99Å; R328-M336 HydrophobicContact CG-SD 4.23Å; R328-M336 VanDerWaalsContact CZ-SD 3.56Å; R328-M336 PolarHBondContact NH2-SD 3.19Å; R328-M336 WeakPolarHBondContact O-CE 3.41Å; R328-M336 WeakPolarHBondContact O-CG 3.49Å; V331-M336 HydrophobicContact CB-CE 3.95Å; V331-M336 HydrophobicContact CG1-CE 3.9Å; V331-M336 HydrophobicContact CG2-CE 4.06Å; S333-M336 PolarHBondContact OG-N 2.85Å; S333-M336 VanDerWaalsContact OG-N 3.17Å; M336-T418 VanDerWaalsContact CE-O 3.28Å; M336-T418 WeakPolarHBondContact CE-O 3.49Å; M336-T418 VanDerWaalsContact SD-O 3.39Å; M336-Y458 HydrophobicContact CE-CD1 3.73Å; M336-Y458 HydrophobicContact CE-CE1 4.47Å; M336-Y458 HydrophobicContact CE-CG 4.11Å; M336-L477 HydrophobicContact CB-CD2 3.92Å; M336-L477 HydrophobicContact CG-CD2 3.36Å; M336-L477 CarbonylContact O-C 3.56Å; M336-L477 WeakPolarHBondContact O-CA 3.38Å; M336-C478 PolarHBondContact O-N 3.44Å
337	E	92.9	Very high	92.1	Very high	15 Å²	15	28.5 Å²	28.5	7%	0.07	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-90.8	155.9	-179.8	-65.8	168.2	154.9	0	0	112.5	R328 N335 W420 N421 A422 F471 C478	R328-E337 PolarHBondContact NE-O 3.43Å; R328-E337 PolarHBondContact NH2-O 3.37Å; N335-E337 PolarHBondContact O-N 2.69Å; E337-W420 PolarHBondContact N-O 2.93Å; E337-N421 VanDerWaalsContact OE2-CA 3.31Å; E337-N421 WeakPolarHBondContact OE2-CA 3.19Å; E337-N421 PolarHBondContact OE2-ND2 3.42Å; E337-A422 VanDerWaalsContact C-CB 3.48Å; E337-A422 HydrophobicContact CB-CB 3.36Å; E337-A422 WeakPolarHBondContact O-CB 3.29Å; E337-A422 PolarHBondContact OE2-N 3.17Å; E337-F471 HydrophobicContact CG-CE1 4.34Å; E337-C478 CarbonylContact C-O 3.33Å; E337-C478 WeakPolarHBondContact CA-O 3.35Å; E337-C478 HydrophobicContact CG-CB 4.08Å
338	C	92.8	Very high	91.9	Very high	36 Å²	36	30.9 Å²	30.9	24%	0.243	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-65.8	127.4	170.6	-99.1	0	0	0	0	112.3	A422 C478 C479	C338-A422 VanDerWaalsContact C-CB 3.41Å; C338-A422 WeakPolarHBondContact O-CB 3.37Å; C338-C478 PolarHBondContact N-O 3.47Å; C338-C479 HydrophobicContact CB-CB 3.65Å; C338-C479 WeakPolarHBondContact CB-SG 3.28Å; C338-C479 WeakPolarHBondContact SG-CB 3.3Å; C338-C479 CovalentContact SG-SG 2.03Å; C338-C479 PolarHBondContact SG-SG 2.86Å
339	L	94.6	Very high	91.8	Very high	8 Å²	8	30.8 Å²	30.8	4%	0.042	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-76.7	153.5	164.8	-67.9	167.6	0	0	0	111.4	L321 V324 N325 R328 A422 G423 I425 F447	L321-L339 HydrophobicContact CD1-CB 4.2Å; V324-L339 HydrophobicContact CG1-CD1 3.86Å; N325-L339 PolarHBondContact ND2-O 3.32Å; N325-L339 WeakPolarHBondContact OD1-CB 3.4Å; N325-L339 PolarHBondContact OD1-N 2.7Å; R328-L339 VanDerWaalsContact CD-CD1 3.48Å; L339-A422 HydrophobicContact CD2-CB 3.92Å; L339-A422 HydrophobicContact CG-CB 4.25Å; L339-G423 WeakPolarHBondContact CD2-O 3.21Å; L339-I425 HydrophobicContact CB-CG2 4.15Å; L339-I425 HydrophobicContact CD1-CB 4.32Å; L339-I425 HydrophobicContact CD1-CD1 4.26Å; L339-F447 HydrophobicContact CD1-CD1 4.16Å; L339-F447 HydrophobicContact CD1-CE1 3.82Å; L339-F447 HydrophobicContact CD2-CD1 4.2Å
340	I	92.3	Very high	91.8	Very high	109 Å²	109	34 Å²	34	56%	0.559	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129	141.4	177.2	-56.5	172.6	0	0	0	108.4	Q424 I425	I340-Q424 HydrophobicContact CB-CG 4.44Å; I340-Q424 CarbonylContact O-C 3.57Å; I340-Q424 WeakPolarHBondContact O-CA 3.41Å; I340-Q424 WeakPolarHBondContact O-CB 3.34Å; I340-I425 PolarHBondContact O-N 3.38Å
341	W	93.9	Very high	91.6	Very high	45 Å²	45	34.9 Å²	34.9	17%	0.17	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	146.2	177.4	-160.5	-94	0	0	0	112.5	L312 R317 I320 L321 E346 I425 C427	L312-W341 HydrophobicContact CD1-CH2 4.1Å; L312-W341 HydrophobicContact CD1-CZ2 4.23Å; R317-W341 HydrophobicContact CB-CD2 4.17Å; R317-W341 HydrophobicContact CB-CE3 4.4Å; R317-W341 HydrophobicContact CB-CH2 4.44Å; R317-W341 HydrophobicContact CB-CZ2 4.24Å; R317-W341 HydrophobicContact CG-CD2 4.34Å; R317-W341 HydrophobicContact CG-CH2 4.21Å; R317-W341 HydrophobicContact CG-CZ2 3.68Å; I320-W341 HydrophobicContact CB-CZ3 4.09Å; I320-W341 HydrophobicContact CD1-CH2 4.42Å; I320-W341 HydrophobicContact CG2-CH2 4.43Å; I320-W341 HydrophobicContact CG2-CZ3 3.88Å; L321-W341 HydrophobicContact CB-CE3 4.34Å; L321-W341 HydrophobicContact CD2-CB 4.33Å; W341-E346 HydrophobicContact CZ2-CB 4.2Å; W341-E346 HydrophobicContact CZ2-CG 4.35Å; W341-E346 WeakPolarHBondContact CZ2-OE2 3.43Å; W341-E346 PolarHBondContact NE1-OE2 3.27Å; W341-I425 CarbonylContact C-O 3.57Å; W341-I425 VanDerWaalsContact CA-O 3.31Å; W341-I425 WeakPolarHBondContact CA-O 3.4Å; W341-I425 HydrophobicContact CE3-CG2 4.11Å; W341-C427 HydrophobicContact CH2-CB 3.81Å; W341-C427 HydrophobicContact CZ3-CB 4.43Å
342	N	93.1	Very high	91.6	Very high	35 Å²	35	34.2 Å²	34.2	19%	0.187	19%	0.191	C	C	.	.			trans	-138.5	119.8	169.4	177.7	-24.7	0	0	0	110	G344 I345 E346 Q424 I425	N342-G344 PolarHBondContact O-N 3.39Å; N342-G344 WeakPolarHBondContact OD1-CA 3.28Å; N342-G344 PolarHBondContact OD1-N 3.43Å; N342-I345 HydrophobicContact CB-CB 4.19Å; N342-I345 HydrophobicContact CB-CD1 4.03Å; N342-I345 HydrophobicContact CB-CG1 4.03Å; N342-I345 PolarHBondContact O-N 2.95Å; N342-I345 PolarHBondContact OD1-N 2.91Å; N342-E346 PolarHBondContact O-N 3.09Å; N342-Q424 HydrophobicContact CB-CB 3.59Å; N342-Q424 HydrophobicContact CB-CG 3.97Å; N342-Q424 PolarHBondContact ND2-OE1 2.67Å; N342-I425 PolarHBondContact N-O 2.71Å
343	S	90.6	Very high	91.7	Very high	91 Å²	91	33 Å²	33	64%	0.636	18%	0.18	S	C	*	.	H	α-helix	trans	-67.6	-28.6	-178.6	47	0	0	0	0	114.4	E346 S347	S343-E346 WeakPolarHBondContact O-CB 3.44Å; S343-E346 PolarHBondContact O-N 3.43Å; S343-S347 PolarHBondContact O-N 3Å
344	G	90.4	Very high	91.6	Very high	20 Å²	20	38.3 Å²	38.3	21%	0.206	20%	0.204	C	C	.	.	H	α-helix	trans	-68.8	-39.5	171.6	0	0	0	0	0	112	N342 E346 S347 E348	N342-G344 PolarHBondContact O-N 3.39Å; N342-G344 WeakPolarHBondContact OD1-CA 3.28Å; N342-G344 PolarHBondContact OD1-N 3.43Å; G344-E346 VanDerWaalsContact C-N 3.34Å; G344-S347 WeakPolarHBondContact O-CB 3.23Å; G344-S347 PolarHBondContact O-N 3.35Å; G344-E348 PolarHBondContact O-N 2.83Å; G344-E348 VanDerWaalsContact O-N 3.17Å
345	I	93.9	Very high	91.4	Very high	4 Å²	4	44 Å²	44	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-68.9	-35.2	173.7	-61.2	-177	0	0	0	110.9	N342 E348 A349 Y365 Q424 L446 A448	N342-I345 HydrophobicContact CB-CB 4.19Å; N342-I345 HydrophobicContact CB-CD1 4.03Å; N342-I345 HydrophobicContact CB-CG1 4.03Å; N342-I345 PolarHBondContact O-N 2.95Å; N342-I345 PolarHBondContact OD1-N 2.91Å; I345-E348 PolarHBondContact O-N 2.89Å; I345-A349 WeakPolarHBondContact O-CB 3.29Å; I345-A349 PolarHBondContact O-N 2.86Å; I345-Y365 HydrophobicContact CD1-CD1 4.22Å; I345-Y365 HydrophobicContact CD1-CE1 4.06Å; I345-Y365 HydrophobicContact CG1-CD1 4.26Å; I345-Y365 HydrophobicContact CG1-CE1 3.83Å; I345-Y365 HydrophobicContact CG2-CD1 4.43Å; I345-Q424 HydrophobicContact CD1-CB 3.82Å; I345-L446 HydrophobicContact CG2-CB 3.5Å; I345-L446 VanDerWaalsContact CG2-CB 3.5Å; I345-L446 WeakPolarHBondContact CG2-O 3.26Å; I345-A448 HydrophobicContact CD1-CB 3.79Å
346	E	93.3	Very high	91	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.037	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-42.3	169.6	164.5	176.3	-174.6	0	0	112	R317 W341 N342 S343 G344 E348 A349 Q350	R317-E346 IonicContact CZ-OE1 3.56Å; R317-E346 IonicContact CZ-OE2 3.58Å; R317-E346 IonicContact NE-OE1 3.67Å; R317-E346 PolarHBondContact NE-OE1 2.85Å; R317-E346 IonicContact NE-OE2 3.63Å; R317-E346 PolarHBondContact NE-OE2 2.78Å; R317-E346 IonicContact NH2-OE1 2.81Å; R317-E346 PolarHBondContact NH2-OE1 2.8Å; R317-E346 IonicContact NH2-OE2 3.26Å; W341-E346 HydrophobicContact CZ2-CB 4.2Å; W341-E346 HydrophobicContact CZ2-CG 4.35Å; W341-E346 WeakPolarHBondContact CZ2-OE2 3.43Å; W341-E346 PolarHBondContact NE1-OE2 3.27Å; N342-E346 PolarHBondContact O-N 3.09Å; S343-E346 WeakPolarHBondContact O-CB 3.44Å; S343-E346 PolarHBondContact O-N 3.43Å; G344-E346 VanDerWaalsContact C-N 3.34Å; E346-E348 VanDerWaalsContact C-N 3.34Å; E346-E348 PolarHBondContact O-N 2.9Å; E346-A349 CarbonylContact O-C 3.55Å; E346-A349 WeakPolarHBondContact O-CA 3.47Å; E346-A349 WeakPolarHBondContact O-CB 3.28Å; E346-A349 PolarHBondContact O-N 2.8Å; E346-A349 VanDerWaalsContact O-N 3.08Å; E346-Q350 HydrophobicContact CG-CG 4.43Å; E346-Q350 WeakPolarHBondContact O-CG 3.46Å; E346-Q350 PolarHBondContact O-N 2.81Å; E346-Q350 PolarHBondContact OE1-NE2 3.12Å
347	S	91.3	Very high	90.1	Very high	40 Å²	40	46.5 Å²	46.5	28%	0.28	25%	0.248	S	C	.	.	H	α-helix	trans	-59.1	-44.4	175.9	-175.2	0	0	0	0	111.8	S343 G344 A349 Q350 K351	S343-S347 PolarHBondContact O-N 3Å; G344-S347 WeakPolarHBondContact O-CB 3.23Å; G344-S347 PolarHBondContact O-N 3.35Å; S347-A349 VanDerWaalsContact C-N 3.33Å; S347-A349 PolarHBondContact O-N 2.94Å; S347-Q350 WeakPolarHBondContact O-CB 3.32Å; S347-Q350 PolarHBondContact O-N 2.66Å; S347-K351 WeakPolarHBondContact O-CG 3.49Å; S347-K351 PolarHBondContact O-N 3.2Å
348	E	91.8	Very high	88.8	Confident	67 Å²	67	48.2 Å²	48.2	31%	0.313	26%	0.257	S	S	.	.	H	α-helix	trans	-64.4	-35.5	173.1	-65	-56.3	131.2	0	0	112.6	G344 I345 E346 K351 L352 Y365 L446	G344-E348 PolarHBondContact O-N 2.83Å; G344-E348 VanDerWaalsContact O-N 3.17Å; I345-E348 PolarHBondContact O-N 2.89Å; E346-E348 VanDerWaalsContact C-N 3.34Å; E346-E348 PolarHBondContact O-N 2.9Å; E348-K351 PolarHBondContact O-N 3.46Å; E348-K351 WeakPolarHBondContact OE1-CE 3.45Å; E348-K351 IonicContact OE1-NZ 2.75Å; E348-K351 PolarHBondContact OE1-NZ 2.99Å; E348-L352 PolarHBondContact O-N 3.16Å; E348-Y365 HydrophobicContact CB-CD2 4.47Å; E348-Y365 HydrophobicContact CB-CE2 4.04Å; E348-Y365 HydrophobicContact CG-CE2 3.86Å; E348-L446 VanDerWaalsContact C-CD1 3.5Å; E348-L446 HydrophobicContact CB-CD1 3.64Å
349	A	93.2	Very high	87.4	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.3	-37.2	173.8	0	0	0	0	0	111.8	I345 E346 S347 L352 A353 A428 L446	I345-A349 WeakPolarHBondContact O-CB 3.29Å; I345-A349 PolarHBondContact O-N 2.86Å; E346-A349 CarbonylContact O-C 3.55Å; E346-A349 WeakPolarHBondContact O-CA 3.47Å; E346-A349 WeakPolarHBondContact O-CB 3.28Å; E346-A349 PolarHBondContact O-N 2.8Å; E346-A349 VanDerWaalsContact O-N 3.08Å; S347-A349 VanDerWaalsContact C-N 3.33Å; S347-A349 PolarHBondContact O-N 2.94Å; A349-L352 PolarHBondContact O-N 2.8Å; A349-A353 VanDerWaalsContact O-CB 3.23Å; A349-A353 WeakPolarHBondContact O-CB 3.38Å; A349-A353 PolarHBondContact O-N 3.35Å; A349-A428 HydrophobicContact CB-CB 4.03Å; A349-L446 HydrophobicContact CB-CB 4.36Å; A349-L446 HydrophobicContact CB-CD1 4.11Å; A349-L446 HydrophobicContact CB-CG 3.91Å
350	Q	91.8	Very high	86	Confident	68 Å²	68	57.7 Å²	57.7	32%	0.318	30%	0.3	S	S	.	.	H	α-helix	trans	-64.9	-44.1	174.5	-68.6	175.8	18.9	0	0	111.1	I309 E346 S347 L352 A353 H354 A428	I309-Q350 HydrophobicContact CG2-CG 4.49Å; E346-Q350 HydrophobicContact CG-CG 4.43Å; E346-Q350 WeakPolarHBondContact O-CG 3.46Å; E346-Q350 PolarHBondContact O-N 2.81Å; E346-Q350 PolarHBondContact OE1-NE2 3.12Å; S347-Q350 WeakPolarHBondContact O-CB 3.32Å; S347-Q350 PolarHBondContact O-N 2.66Å; Q350-L352 VanDerWaalsContact C-N 3.31Å; Q350-L352 PolarHBondContact O-N 3.07Å; Q350-A353 PolarHBondContact O-N 2.77Å; Q350-H354 WeakPolarHBondContact O-CB 3.07Å; Q350-H354 PolarHBondContact O-N 3.26Å; Q350-A428 VanDerWaalsContact CA-CB 3.49Å; Q350-A428 HydrophobicContact CB-CB 4.07Å; Q350-A428 HydrophobicContact CG-CB 3.49Å; Q350-A428 VanDerWaalsContact CG-CB 3.49Å
351	K	89	Confident	85	Confident	107 Å²	107	58.7 Å²	58.7	47%	0.465	30%	0.302	S	S	.	.	H	α-helix	trans	-57.7	-41.6	174.3	-67.8	171.3	-169.4	176.4	0	111.9	S347 E348	S347-K351 WeakPolarHBondContact O-CG 3.49Å; S347-K351 PolarHBondContact O-N 3.2Å; E348-K351 PolarHBondContact O-N 3.46Å; E348-K351 WeakPolarHBondContact OE1-CE 3.45Å; E348-K351 IonicContact OE1-NZ 2.75Å; E348-K351 PolarHBondContact OE1-NZ 2.99Å
352	L	89.6	Confident	84.2	Confident	16 Å²	16	58.5 Å²	58.5	8%	0.084	31%	0.307	C	S	.	.	H	α-helix	trans	-73.4	-44	177.6	-171.1	58.7	0	0	0	112.4	E348 A349 Q350 H354 K355 I358 V367 T444 L446	E348-L352 PolarHBondContact O-N 3.16Å; A349-L352 PolarHBondContact O-N 2.8Å; Q350-L352 VanDerWaalsContact C-N 3.31Å; Q350-L352 PolarHBondContact O-N 3.07Å; L352-H354 PolarHBondContact O-N 3.35Å; L352-K355 WeakPolarHBondContact O-CB 3.47Å; L352-K355 PolarHBondContact O-N 2.87Å; L352-K355 VanDerWaalsContact O-N 3.12Å; L352-I358 HydrophobicContact CD1-CG1 4.19Å; L352-I358 HydrophobicContact CD2-CD1 3.85Å; L352-I358 HydrophobicContact CD2-CG1 4.17Å; L352-I358 HydrophobicContact CG-CD1 4.39Å; L352-I358 HydrophobicContact CG-CG1 4.19Å; L352-V367 HydrophobicContact CD2-CG1 4.17Å; L352-T444 HydrophobicContact CB-CG2 4.26Å; L352-T444 HydrophobicContact CD2-CG2 3.94Å; L352-T444 HydrophobicContact CG-CG2 4.17Å; L352-L446 HydrophobicContact CD2-CD2 4.03Å
353	A	89.8	Confident	83.4	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.008	34%	0.338	C	S	.	.	H	α-helix	trans	-61.6	-29.4	178.1	0	0	0	0	0	113.1	I309 A349 Q350 K355 C356 A428 S430	I309-A353 HydrophobicContact CD1-CB 4Å; A349-A353 VanDerWaalsContact O-CB 3.23Å; A349-A353 WeakPolarHBondContact O-CB 3.38Å; A349-A353 PolarHBondContact O-N 3.35Å; Q350-A353 PolarHBondContact O-N 2.77Å; A353-K355 VanDerWaalsContact C-N 3.26Å; A353-K355 PolarHBondContact O-N 3.24Å; A353-C356 PolarHBondContact O-N 2.94Å; A353-C356 VanDerWaalsContact O-N 3.17Å; A353-A428 HydrophobicContact CB-CB 3.97Å; A353-S430 WeakPolarHBondContact O-CB 3.32Å; A353-S430 PolarHBondContact O-OG 2.75Å
354	H	86.4	Confident	83.1	Confident	112 Å²	112	70.3 Å²	70.3	52%	0.519	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-25.4	177	-165.1	29	0	0	0	113	S307 I309 Q350 L352 C356	S307-H354 WeakPolarHBondContact CB-O 3.21Å; S307-H354 PolarHBondContact OG-CE1 3.04Å; S307-H354 PolarHBondContact OG-ND1 2Å; S307-H354 PolarHBondContact OG-O 3.1Å; I309-H354 HydrophobicContact CD1-CB 3.99Å; I309-H354 HydrophobicContact CG1-CB 4.44Å; Q350-H354 WeakPolarHBondContact O-CB 3.07Å; Q350-H354 PolarHBondContact O-N 3.26Å; L352-H354 PolarHBondContact O-N 3.35Å; H354-C356 VanDerWaalsContact C-N 3.26Å; H354-C356 PolarHBondContact O-N 2.62Å
355	K	84.6	Confident	83.1	Confident	120 Å²	120	71.2 Å²	71.2	52%	0.522	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-13.4	174.4	-61.9	-175.9	178.9	-178.4	0	113.5	L352 A353 S357	L352-K355 WeakPolarHBondContact O-CB 3.47Å; L352-K355 PolarHBondContact O-N 2.87Å; L352-K355 VanDerWaalsContact O-N 3.12Å; A353-K355 VanDerWaalsContact C-N 3.26Å; A353-K355 PolarHBondContact O-N 3.24Å; K355-S357 PolarHBondContact O-N 3.38Å; K355-S357 PolarHBondContact O-OG 3.1Å; K355-S357 VanDerWaalsContact O-OG 3.11Å
356	C	82.1	Confident	82.9	Confident	25 Å²	25	71.1 Å²	71.1	17%	0.169	34%	0.34	C	S	.	.	S	Bend	trans	53.7	4.2	-174.2	-81.1	0	0	0	0	116.8	S307 A353 H354 C432	S307-C356 WeakPolarHBondContact CB-SG 3.3Å; A353-C356 PolarHBondContact O-N 2.94Å; A353-C356 VanDerWaalsContact O-N 3.17Å; H354-C356 VanDerWaalsContact C-N 3.26Å; H354-C356 PolarHBondContact O-N 2.62Å; C356-C432 VanDerWaalsContact CA-SG 3.53Å; C356-C432 HydrophobicContact CB-CB 3.74Å; C356-C432 WeakPolarHBondContact CB-SG 3.41Å; C356-C432 WeakPolarHBondContact SG-CA 3.48Å; C356-C432 WeakPolarHBondContact SG-CB 3.24Å; C356-C432 CovalentContact SG-SG 2.02Å; C356-C432 PolarHBondContact SG-SG 3.43Å
357	S	75.2	Confident	82.9	Confident	50 Å²	50	71.6 Å²	71.6	35%	0.35	34%	0.343	S	S	.	.	S	Bend	trans	-153.5	135.7	-178.2	53.9	0	0	0	0	108.5	K355 I359	K355-S357 PolarHBondContact O-N 3.38Å; K355-S357 PolarHBondContact O-OG 3.1Å; K355-S357 VanDerWaalsContact O-OG 3.11Å; S357-I359 PolarHBondContact O-N 2.72Å
358	I	66	Low	82.9	Confident	51 Å²	51	69.8 Å²	69.8	26%	0.262	33%	0.331	S	S	.	.			trans	-89.4	92.4	166.4	-59.8	-170.1	0	0	0	106.5	L352 E360 E361 V367 V369	L352-I358 HydrophobicContact CD1-CG1 4.19Å; L352-I358 HydrophobicContact CD2-CD1 3.85Å; L352-I358 HydrophobicContact CD2-CG1 4.17Å; L352-I358 HydrophobicContact CG-CD1 4.39Å; L352-I358 HydrophobicContact CG-CG1 4.19Å; I358-E360 WeakPolarHBondContact CG2-O 3.35Å; I358-E361 HydrophobicContact CG2-CB 4.41Å; I358-E361 HydrophobicContact CG2-CG 3.72Å; I358-V367 HydrophobicContact CD1-CG1 3.5Å; I358-V367 VanDerWaalsContact CD1-CG1 3.5Å; I358-V369 HydrophobicContact CD1-CG2 3.37Å; I358-V369 HydrophobicContact CG1-CG2 4.29Å
359	I	62.7	Low	82.9	Confident	110 Å²	110	67.3 Å²	67.3	56%	0.564	32%	0.32	S	S	*	.	S	Bend	trans	-77.5	-37.2	167.9	-54.6	177.2	0	0	0	109.1	S357	S357-I359 PolarHBondContact O-N 2.72Å
360	E	65.7	Low	82.9	Confident	133 Å²	133	67.7 Å²	67.7	62%	0.621	32%	0.322	S	S	*	.	S	Bend	trans	-132	122.6	178.1	-67.4	160.1	164.8	0	0	107	I358	I358-E360 WeakPolarHBondContact CG2-O 3.35Å
361	E	71	Confident	82.8	Confident	129 Å²	129	69.8 Å²	69.8	60%	0.603	33%	0.328	S	S	*	.			trans	-65.8	144.8	160.7	-68.7	177.9	-163.1	0	0	108	I358 V367	I358-E361 HydrophobicContact CG2-CB 4.41Å; I358-E361 HydrophobicContact CG2-CG 3.72Å; E361-V367 HydrophobicContact CB-CG2 4.34Å; E361-V367 HydrophobicContact CG-CG2 4.32Å
362	P	75.9	Confident	82.8	Confident	42 Å²	42	65.3 Å²	65.3	27%	0.273	31%	0.31	S	S	.	.			trans	-55.5	173.2	165.9	24.2	-34.7	0	0	0	111	V367 L446 R450	P362-V367 HydrophobicContact CG-CG2 3.9Å; P362-L446 HydrophobicContact CG-CD2 4.23Å; P362-R450 VanDerWaalsContact O-CZ 3.24Å; P362-R450 PolarHBondContact O-NH1 3.08Å; P362-R450 PolarHBondContact O-NH2 2.84Å
363	E	76.2	Confident	82.5	Confident	183 Å²	183	68.4 Å²	68.4	86%	0.855	33%	0.333	S	S	*	.	S	Bend	trans	-100	-18.9	171.8	-64.3	-160.1	151.4	0	0	114.3	R450	E363-R450 PolarHBondContact O-NE 2.83Å; E363-R450 PolarHBondContact O-NH2 3.44Å
364	R	84.6	Confident	82.1	Confident	191 Å²	191	73.6 Å²	73.6	72%	0.721	36%	0.36	S	S	*	.	S	Bend	trans	-84.7	-57.1	-179.2	-171.2	175.4	-78	-172.8	-1.1	113.4	R450	R364-R450 PolarHBondContact O-NE 3.18Å; R364-R450 VanDerWaalsContact O-NE 3.16Å
365	Y	90.8	Very high	81.5	Confident	38 Å²	38	77 Å²	77	15%	0.149	38%	0.377	C	S	.	.	S	Bend	trans	-96.6	136.6	-166.5	-50	-70.3	0	0	0	114.1	I345 E348 V367 L446 F447 R450	I345-Y365 HydrophobicContact CD1-CD1 4.22Å; I345-Y365 HydrophobicContact CD1-CE1 4.06Å; I345-Y365 HydrophobicContact CG1-CD1 4.26Å; I345-Y365 HydrophobicContact CG1-CE1 3.83Å; I345-Y365 HydrophobicContact CG2-CD1 4.43Å; E348-Y365 HydrophobicContact CB-CD2 4.47Å; E348-Y365 HydrophobicContact CB-CE2 4.04Å; E348-Y365 HydrophobicContact CG-CE2 3.86Å; Y365-V367 WeakPolarHBondContact O-CG2 3.43Å; Y365-L446 HydrophobicContact CD2-CD1 3.94Å; Y365-L446 HydrophobicContact CG-CB 4.37Å; Y365-L446 HydrophobicContact CG-CD1 4.33Å; Y365-F447 CarbonylContact C-O 3.52Å; Y365-F447 WeakPolarHBondContact CA-O 3.01Å; Y365-F447 WeakPolarHBondContact CB-O 3.36Å; Y365-R450 PolarHBondContact O-NH2 3.45Å
366	G	90.9	Very high	81.3	Confident	2 Å²	2	73.4 Å²	73.4	2%	0.021	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	147.5	164.8	0	0	0	0	0	110.4	L446 F447	G366-L446 CarbonylContact O-C 3.44Å; G366-L446 WeakPolarHBondContact O-CA 3.47Å; G366-F447 PolarHBondContact N-O 2.94Å; G366-F447 PolarHBondContact O-N 3.35Å
367	V	91.9	Very high	81.2	Confident	19 Å²	19	77 Å²	77	12%	0.115	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131.9	-172.2	-165.1	0	0	0	0	111.4	L352 I358 E361 P362 Y365 V369 Q416 L446	L352-V367 HydrophobicContact CD2-CG1 4.17Å; I358-V367 HydrophobicContact CD1-CG1 3.5Å; I358-V367 VanDerWaalsContact CD1-CG1 3.5Å; E361-V367 HydrophobicContact CB-CG2 4.34Å; E361-V367 HydrophobicContact CG-CG2 4.32Å; P362-V367 HydrophobicContact CG-CG2 3.9Å; Y365-V367 WeakPolarHBondContact O-CG2 3.43Å; V367-V369 HydrophobicContact CG1-CG2 4.1Å; V367-Q416 WeakPolarHBondContact O-CG 3.24Å; V367-L446 HydrophobicContact CB-CD2 4.19Å; V367-L446 HydrophobicContact CG1-CD2 3.89Å; V367-L446 HydrophobicContact CG2-CD2 3.78Å
368	G	92.2	Very high	81.7	Confident	1 Å²	1	76.9 Å²	76.9	1%	0.01	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.9	166.6	0	0	0	0	0	110.1	N413 C445	G368-N413 WeakPolarHBondContact CA-OD1 3.48Å; G368-C445 PolarHBondContact N-O 2.86Å; G368-C445 PolarHBondContact O-N 2.75Å
369	V	92.2	Very high	82.9	Confident	16 Å²	16	75 Å²	75	10%	0.097	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135.1	178.5	-172.2	0	0	0	0	111	I358 V367 Y371 N413 V442 L443 T444	I358-V369 HydrophobicContact CD1-CG2 3.37Å; I358-V369 HydrophobicContact CG1-CG2 4.29Å; V367-V369 HydrophobicContact CG1-CG2 4.1Å; V369-Y371 HydrophobicContact CB-CE2 3.94Å; V369-Y371 HydrophobicContact CG1-CD2 3.91Å; V369-Y371 HydrophobicContact CG1-CE1 4.2Å; V369-Y371 HydrophobicContact CG1-CE2 3.4Å; V369-N413 PolarHBondContact N-OD1 3.01Å; V369-N413 PolarHBondContact O-ND2 3.24Å; V369-N413 PolarHBondContact O-OD1 2.75Å; V369-V442 HydrophobicContact CG1-CG1 3.43Å; V369-V442 VanDerWaalsContact CG1-CG1 3.43Å; V369-L443 CarbonylContact C-O 3.52Å; V369-L443 VanDerWaalsContact CA-O 3.29Å; V369-L443 WeakPolarHBondContact CA-O 3.36Å; V369-T444 HydrophobicContact CG2-CG2 4.26Å
370	V	91.5	Very high	84.2	Confident	7 Å²	7	71 Å²	71	4%	0.042	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.5	176	-170	0	0	0	0	108.5	Y382 L385 V386 F417 V442 L443	V370-Y382 HydrophobicContact CB-CD1 4.02Å; V370-Y382 HydrophobicContact CG1-CD1 3.93Å; V370-L385 HydrophobicContact CG1-CB 3.64Å; V370-L385 HydrophobicContact CG1-CD1 3.77Å; V370-L385 HydrophobicContact CG1-CG 4.37Å; V370-V386 HydrophobicContact CG2-CG2 3.45Å; V370-V386 VanDerWaalsContact CG2-CG2 3.45Å; V370-F417 HydrophobicContact CG2-CE2 4.26Å; V370-F417 HydrophobicContact CG2-CZ 4.11Å; V370-V442 CarbonylContact O-C 3.57Å; V370-V442 WeakPolarHBondContact O-CA 3.47Å; V370-L443 HydrophobicContact CB-CB 4.29Å; V370-L443 PolarHBondContact N-O 2.03Å; V370-L443 PolarHBondContact O-N 2.91Å
371	Y	89.7	Confident	85.5	Confident	112 Å²	112	67.6 Å²	67.6	44%	0.439	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133.1	177.3	-63.6	-91.9	0	0	0	109.7	V369 V442	V369-Y371 HydrophobicContact CB-CE2 3.94Å; V369-Y371 HydrophobicContact CG1-CD2 3.91Å; V369-Y371 HydrophobicContact CG1-CE1 4.2Å; V369-Y371 HydrophobicContact CG1-CE2 3.4Å; Y371-V442 HydrophobicContact CD1-CB 4.4Å; Y371-V442 HydrophobicContact CD1-CG1 3.92Å; Y371-V442 HydrophobicContact CD1-CG2 3.65Å; Y371-V442 HydrophobicContact CE1-CG1 3.8Å; Y371-V442 HydrophobicContact CE1-CG2 3.96Å
372	T	89	Confident	86.6	Confident	14 Å²	14	61.6 Å²	61.6	9%	0.086	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	140.5	170.6	-173.4	0	0	0	0	112	N374 V376 Y382 L385 M440 N441	T372-N374 VanDerWaalsContact C-N 3.33Å; T372-N374 PolarHBondContact OG1-N 2.81Å; T372-V376 HydrophobicContact CG2-CG2 3.6Å; T372-Y382 HydrophobicContact CG2-CD1 4.43Å; T372-Y382 HydrophobicContact CG2-CE1 3.95Å; T372-L385 HydrophobicContact CG2-CD1 4.4Å; T372-M440 WeakPolarHBondContact O-CA 3.38Å; T372-N441 HydrophobicContact CG2-CB 3.98Å; T372-N441 PolarHBondContact N-O 3.32Å; T372-N441 PolarHBondContact O-N 3.27Å
373	S	83.9	Confident	87.4	Confident	81 Å²	81	59.9 Å²	59.9	57%	0.566	31%	0.314	S	S	*	.	S	Bend	trans	-84.4	-10.4	170.1	50.9	0	0	0	0	112.9
374	N	81.1	Confident	88.2	Confident	109 Å²	109	55 Å²	55	58%	0.583	29%	0.294	S	S	*	.	S	Bend	trans	-83.9	155.9	-172.9	-58.6	-10.5	0	0	0	110.7	T372 V376 N441	T372-N374 VanDerWaalsContact C-N 3.33Å; T372-N374 PolarHBondContact OG1-N 2.81Å; N374-V376 PolarHBondContact O-N 2.87Å; N374-N441 PolarHBondContact O-ND2 3.4Å
375	E	75.4	Confident	88.6	Confident	185 Å²	185	48.2 Å²	48.2	86%	0.864	27%	0.272	S	S	*	.			trans	-64.6	128.3	169.8	-65.2	-170.4	153.5	0	0	110.2	A377	E375-A377 PolarHBondContact O-N 3.34Å
376	V	79.9	Confident	88.7	Confident	43 Å²	43	46.4 Å²	46.4	26%	0.261	27%	0.265	S	S	.	.			trans	-97.5	95.8	-176.4	179.5	0	0	0	0	108.6	T372 N374 S378 N381 Y382 N441	T372-V376 HydrophobicContact CG2-CG2 3.6Å; N374-V376 PolarHBondContact O-N 2.87Å; V376-S378 VanDerWaalsContact C-N 3.29Å; V376-S378 WeakPolarHBondContact CG1-O 3.38Å; V376-S378 PolarHBondContact O-N 2.61Å; V376-N381 HydrophobicContact CG1-CB 4.47Å; V376-Y382 HydrophobicContact CG1-CD2 4.24Å; V376-Y382 HydrophobicContact CG1-CE2 3.73Å; V376-Y382 HydrophobicContact CG2-CE1 4.13Å; V376-Y382 HydrophobicContact CG2-CE2 4.44Å; V376-N441 HydrophobicContact CG2-CB 3.9Å
377	A	78.9	Confident	88.9	Confident	101 Å²	101	47.9 Å²	47.9	84%	0.835	28%	0.277	S	S	*	.	S	Bend	trans	-72.6	-21	179.8	0	0	0	0	0	113.7	E375	E375-A377 PolarHBondContact O-N 3.34Å
378	S	86.8	Confident	88.9	Confident	47 Å²	47	53.3 Å²	53.3	33%	0.329	30%	0.301	S	S	.	.	S	Bend	trans	-153.2	146	176.8	171	0	0	0	0	109.2	V376 S380 N381	V376-S378 VanDerWaalsContact C-N 3.29Å; V376-S378 WeakPolarHBondContact CG1-O 3.38Å; V376-S378 PolarHBondContact O-N 2.61Å; S378-S380 WeakPolarHBondContact CB-OG 3.12Å; S378-S380 PolarHBondContact O-N 3.47Å; S378-S380 PolarHBondContact OG-N 2.89Å; S378-S380 PolarHBondContact OG-OG 3.01Å; S378-N381 WeakPolarHBondContact O-CB 3.34Å; S378-N381 PolarHBondContact O-N 3.45Å; S378-N381 VanDerWaalsContact O-N 3.13Å; S378-N381 PolarHBondContact O-OD1 3.29Å
379	V	90.1	Very high	88.8	Confident	12 Å²	12	53.9 Å²	53.9	7%	0.073	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.8	174.8	-68.2	0	0	0	0	113.3	L312 D316 V319 I320 N381 Y382	L312-V379 HydrophobicContact CD2-CG1 4.22Å; D316-V379 HydrophobicContact CB-CG1 4.24Å; D316-V379 HydrophobicContact CB-CG2 4.07Å; D316-V379 WeakPolarHBondContact OD1-CG1 3.44Å; V319-V379 HydrophobicContact CB-CG2 4.04Å; V319-V379 HydrophobicContact CG1-CG2 3.83Å; I320-V379 HydrophobicContact CD1-CB 4Å; I320-V379 HydrophobicContact CD1-CG1 4.28Å; I320-V379 HydrophobicContact CD1-CG2 4.19Å; I320-V379 HydrophobicContact CG1-CB 3.81Å; I320-V379 HydrophobicContact CG1-CG2 3.74Å; V379-N381 PolarHBondContact O-N 2.84Å; V379-Y382 WeakPolarHBondContact O-CD2 3.4Å; V379-Y382 PolarHBondContact O-N 3.48Å
380	S	90.2	Very high	88.8	Confident	27 Å²	27	55.6 Å²	55.6	19%	0.189	32%	0.318	C	S	.	.	H	α-helix	trans	-56.6	-34.6	171.5	57.5	0	0	0	0	112.9	S378 Y382 V383 D384	S378-S380 WeakPolarHBondContact CB-OG 3.12Å; S378-S380 PolarHBondContact O-N 3.47Å; S378-S380 PolarHBondContact OG-N 2.89Å; S378-S380 PolarHBondContact OG-OG 3.01Å; S380-Y382 PolarHBondContact O-N 3.38Å; S380-V383 WeakPolarHBondContact O-CA 3.24Å; S380-V383 WeakPolarHBondContact O-CB 3.34Å; S380-V383 PolarHBondContact O-N 2.85Å; S380-D384 PolarHBondContact O-N 3.3Å
381	N	92.6	Very high	88.8	Confident	60 Å²	60	58.5 Å²	58.5	32%	0.321	34%	0.339	S	S	.	.	H	α-helix	trans	-59.6	-25.4	-177.5	-61.5	22.5	0	0	0	112.8	V376 S378 V379 L385	V376-N381 HydrophobicContact CG1-CB 4.47Å; S378-N381 WeakPolarHBondContact O-CB 3.34Å; S378-N381 PolarHBondContact O-N 3.45Å; S378-N381 VanDerWaalsContact O-N 3.13Å; S378-N381 PolarHBondContact O-OD1 3.29Å; V379-N381 PolarHBondContact O-N 2.84Å; N381-L385 WeakPolarHBondContact O-CG 3.44Å; N381-L385 PolarHBondContact O-N 3.44Å
382	Y	94.1	Very high	88.9	Confident	3 Å²	3	53.2 Å²	53.2	1%	0.012	32%	0.318	C	S	.	.	H	α-helix	trans	-71.5	-35.1	173.4	-65.4	-68.9	0	0	0	112.1	V370 T372 V376 V379 S380 L385 V386 V429 N441 L443	V370-Y382 HydrophobicContact CB-CD1 4.02Å; V370-Y382 HydrophobicContact CG1-CD1 3.93Å; T372-Y382 HydrophobicContact CG2-CD1 4.43Å; T372-Y382 HydrophobicContact CG2-CE1 3.95Å; V376-Y382 HydrophobicContact CG1-CD2 4.24Å; V376-Y382 HydrophobicContact CG1-CE2 3.73Å; V376-Y382 HydrophobicContact CG2-CE1 4.13Å; V376-Y382 HydrophobicContact CG2-CE2 4.44Å; V379-Y382 WeakPolarHBondContact O-CD2 3.4Å; V379-Y382 PolarHBondContact O-N 3.48Å; S380-Y382 PolarHBondContact O-N 3.38Å; Y382-L385 PolarHBondContact O-N 3.44Å; Y382-V386 PolarHBondContact O-N 3.2Å; Y382-V429 HydrophobicContact CE2-CG1 4.37Å; Y382-V429 HydrophobicContact CE2-CG2 3.69Å; Y382-V429 VanDerWaalsContact OH-CG1 3.28Å; Y382-V429 WeakPolarHBondContact OH-CG1 3.4Å; Y382-N441 WeakPolarHBondContact OH-CB 3.46Å; Y382-L443 VanDerWaalsContact CB-CD2 3.47Å; Y382-L443 HydrophobicContact CD1-CB 3.62Å; Y382-L443 HydrophobicContact CD2-CB 3.79Å; Y382-L443 HydrophobicContact CD2-CD1 4.46Å; Y382-L443 HydrophobicContact CD2-CD2 4.04Å; Y382-L443 HydrophobicContact CD2-CG 4.31Å; Y382-L443 HydrophobicContact CE1-CB 3.86Å; Y382-L443 HydrophobicContact CE2-CB 4.02Å; Y382-L443 HydrophobicContact CG-CB 3.58Å; Y382-L443 HydrophobicContact CG-CD2 3.86Å; Y382-L443 HydrophobicContact CG-CG 4.28Å
383	V	93.5	Very high	89	Confident	6 Å²	6	53.4 Å²	53.4	4%	0.036	32%	0.318	C	S	.	.	H	α-helix	trans	-71.5	-35.8	179.2	-169.8	0	0	0	0	110.4	E323 V324 L327 S380 L385 V386 A387	E323-V383 HydrophobicContact CB-CB 4.17Å; E323-V383 HydrophobicContact CB-CG1 4.09Å; E323-V383 HydrophobicContact CB-CG2 4.03Å; V324-V383 HydrophobicContact CG2-CG1 4.07Å; V324-V383 HydrophobicContact CG2-CG2 3.79Å; L327-V383 HydrophobicContact CB-CG1 4.19Å; L327-V383 HydrophobicContact CD2-CG1 3.93Å; S380-V383 WeakPolarHBondContact O-CA 3.24Å; S380-V383 WeakPolarHBondContact O-CB 3.34Å; S380-V383 PolarHBondContact O-N 2.85Å; V383-L385 VanDerWaalsContact C-N 3.33Å; V383-L385 PolarHBondContact O-N 2.95Å; V383-V386 CarbonylContact O-C 3.59Å; V383-V386 WeakPolarHBondContact O-CA 3.42Å; V383-V386 WeakPolarHBondContact O-CB 3.24Å; V383-V386 PolarHBondContact O-N 3.29Å; V383-V386 VanDerWaalsContact O-N 3.09Å; V383-A387 PolarHBondContact O-N 3.24Å
384	D	92.6	Very high	89.2	Confident	81 Å²	81	52.3 Å²	52.3	43%	0.433	31%	0.31	S	S	.	.	H	α-helix	trans	-57.9	-43.5	171.4	-62.7	-46.2	0	0	0	111.7	S380 V386 A387 E388	S380-D384 PolarHBondContact O-N 3.3Å; D384-V386 VanDerWaalsContact C-N 3.29Å; D384-V386 PolarHBondContact O-N 3.08Å; D384-A387 CarbonylContact O-C 3.54Å; D384-A387 WeakPolarHBondContact O-CA 3.32Å; D384-A387 WeakPolarHBondContact O-CB 3.42Å; D384-A387 PolarHBondContact O-N 2.98Å; D384-E388 PolarHBondContact O-N 3.39Å
385	L	92.7	Very high	89.4	Confident	48 Å²	48	51.5 Å²	51.5	25%	0.251	31%	0.305	S	S	.	.	H	α-helix	trans	-65.7	-28.4	175.3	-67.9	168.2	0	0	0	113.2	V370 T372 N381 Y382 V383 S389	V370-L385 HydrophobicContact CG1-CB 3.64Å; V370-L385 HydrophobicContact CG1-CD1 3.77Å; V370-L385 HydrophobicContact CG1-CG 4.37Å; T372-L385 HydrophobicContact CG2-CD1 4.4Å; N381-L385 WeakPolarHBondContact O-CG 3.44Å; N381-L385 PolarHBondContact O-N 3.44Å; Y382-L385 PolarHBondContact O-N 3.44Å; V383-L385 VanDerWaalsContact C-N 3.33Å; V383-L385 PolarHBondContact O-N 2.95Å; L385-S389 PolarHBondContact O-N 3.25Å; L385-S389 PolarHBondContact O-OG 3.13Å
386	V	94.3	Very high	89.5	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-70.8	-41.5	168.2	-177.3	0	0	0	0	110.1	L327 V370 Y382 V383 D384 E388 S389 Y414 F417	L327-V386 HydrophobicContact CD2-CB 3.99Å; L327-V386 HydrophobicContact CD2-CG1 3.71Å; V370-V386 HydrophobicContact CG2-CG2 3.45Å; V370-V386 VanDerWaalsContact CG2-CG2 3.45Å; Y382-V386 PolarHBondContact O-N 3.2Å; V383-V386 CarbonylContact O-C 3.59Å; V383-V386 WeakPolarHBondContact O-CA 3.42Å; V383-V386 WeakPolarHBondContact O-CB 3.24Å; V383-V386 PolarHBondContact O-N 3.29Å; V383-V386 VanDerWaalsContact O-N 3.09Å; D384-V386 VanDerWaalsContact C-N 3.29Å; D384-V386 PolarHBondContact O-N 3.08Å; V386-E388 PolarHBondContact O-N 2.94Å; V386-S389 WeakPolarHBondContact O-CA 3.26Å; V386-S389 VanDerWaalsContact O-CB 3.28Å; V386-S389 WeakPolarHBondContact O-CB 3.42Å; V386-S389 PolarHBondContact O-N 3.31Å; V386-S389 VanDerWaalsContact O-N 3.08Å; V386-Y414 HydrophobicContact CG1-CD2 4.05Å; V386-Y414 VanDerWaalsContact O-CD2 3.23Å; V386-Y414 WeakPolarHBondContact O-CD2 3.46Å; V386-F417 HydrophobicContact CG1-CB 3.71Å; V386-F417 HydrophobicContact CG1-CD1 4.2Å; V386-F417 HydrophobicContact CG1-CD2 3.76Å; V386-F417 HydrophobicContact CG1-CE2 4.42Å; V386-F417 HydrophobicContact CG1-CG 3.64Å; V386-F417 HydrophobicContact CG2-CD1 4.24Å; V386-F417 HydrophobicContact CG2-CD2 3.88Å; V386-F417 HydrophobicContact CG2-CE1 4.09Å; V386-F417 HydrophobicContact CG2-CE2 3.7Å; V386-F417 HydrophobicContact CG2-CG 4.17Å; V386-F417 HydrophobicContact CG2-CZ 3.83Å
387	A	93.8	Very high	89.2	Confident	34 Å²	34	49.6 Å²	49.6	28%	0.281	31%	0.305	S	S	.	.	H	α-helix	trans	-61.9	-41.7	177.4	0	0	0	0	0	112.3	L327 V383 D384 S389 S390	L327-A387 HydrophobicContact CD1-CB 3.78Å; L327-A387 HydrophobicContact CD2-CB 4.48Å; V383-A387 PolarHBondContact O-N 3.24Å; D384-A387 CarbonylContact O-C 3.54Å; D384-A387 WeakPolarHBondContact O-CA 3.32Å; D384-A387 WeakPolarHBondContact O-CB 3.42Å; D384-A387 PolarHBondContact O-N 2.98Å; A387-S389 PolarHBondContact O-N 3.29Å; A387-S390 WeakPolarHBondContact O-CB 3.41Å; A387-S390 PolarHBondContact O-N 2.84Å; A387-S390 VanDerWaalsContact O-N 3.1Å; A387-S390 PolarHBondContact O-OG 3.19Å
388	E	92	Very high	88.8	Confident	132 Å²	132	48.8 Å²	48.8	62%	0.617	29%	0.293	S	S	*	.	H	α-helix	trans	-59.7	-33.2	172.2	-70.8	-177.5	177.6	0	0	112.8	D384 V386 S390 S391	D384-E388 PolarHBondContact O-N 3.39Å; V386-E388 PolarHBondContact O-N 2.94Å; E388-S390 PolarHBondContact O-N 3.07Å; E388-S391 WeakPolarHBondContact O-CB 3.46Å; E388-S391 PolarHBondContact O-N 3.25Å; E388-S391 PolarHBondContact O-OG 2.7Å
389	S	91.2	Very high	88	Confident	14 Å²	14	53 Å²	53	10%	0.098	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-69	-10.1	177.7	-60	0	0	0	0	113.5	L385 V386 A387 S391 A392	L385-S389 PolarHBondContact O-N 3.25Å; L385-S389 PolarHBondContact O-OG 3.13Å; V386-S389 WeakPolarHBondContact O-CA 3.26Å; V386-S389 VanDerWaalsContact O-CB 3.28Å; V386-S389 WeakPolarHBondContact O-CB 3.42Å; V386-S389 PolarHBondContact O-N 3.31Å; V386-S389 VanDerWaalsContact O-N 3.08Å; A387-S389 PolarHBondContact O-N 3.29Å; S389-S391 PolarHBondContact O-N 3.2Å; S389-A392 VanDerWaalsContact O-CB 3.24Å; S389-A392 WeakPolarHBondContact O-CB 3.38Å; S389-A392 PolarHBondContact O-N 3.41Å
390	S	91.3	Very high	87.6	Confident	52 Å²	52	52.8 Å²	52.8	36%	0.364	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-53.9	-33.2	168	62.9	0	0	0	0	112.6	A387 E388 A392 L393 Y414	A387-S390 WeakPolarHBondContact O-CB 3.41Å; A387-S390 PolarHBondContact O-N 2.84Å; A387-S390 VanDerWaalsContact O-N 3.1Å; A387-S390 PolarHBondContact O-OG 3.19Å; E388-S390 PolarHBondContact O-N 3.07Å; S390-A392 PolarHBondContact O-N 3.02Å; S390-L393 PolarHBondContact O-N 3.45Å; S390-Y414 VanDerWaalsContact CB-CZ 3.46Å
391	S	92.3	Very high	87.5	Confident	68 Å²	68	51.6 Å²	51.6	48%	0.476	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-64.9	-2.3	175.7	70.1	0	0	0	0	115	E388 S389 K407	E388-S391 WeakPolarHBondContact O-CB 3.46Å; E388-S391 PolarHBondContact O-N 3.25Å; E388-S391 PolarHBondContact O-OG 2.7Å; S389-S391 PolarHBondContact O-N 3.2Å; S391-K407 PolarHBondContact O-NZ 3.5Å; S391-K407 PolarHBondContact OG-NZ 3.14Å
392	A	91.5	Very high	87.3	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-94.5	-9.7	171.6	0	0	0	0	0	113.3	S389 S390 C403 V404 K407 Q410 C411	S389-A392 VanDerWaalsContact O-CB 3.24Å; S389-A392 WeakPolarHBondContact O-CB 3.38Å; S389-A392 PolarHBondContact O-N 3.41Å; S390-A392 PolarHBondContact O-N 3.02Å; A392-C403 WeakPolarHBondContact O-CA 3.15Å; A392-V404 PolarHBondContact O-N 3.44Å; A392-K407 HydrophobicContact CB-CB 3.69Å; A392-K407 HydrophobicContact CB-CD 3.86Å; A392-K407 HydrophobicContact CB-CG 4.45Å; A392-Q410 HydrophobicContact CB-CB 3.78Å; A392-C411 HydrophobicContact CB-CB 3.78Å; A392-C411 WeakPolarHBondContact O-CB 3.44Å
393	L	90.9	Very high	87.2	Confident	19 Å²	19	52.6 Å²	52.6	10%	0.099	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-104.1	121.3	-179	-168.4	69.1	0	0	0	110.7	S390 C401 Y414 K415 P457	S390-L393 PolarHBondContact O-N 3.45Å; L393-C401 HydrophobicContact CD1-CB 3.75Å; L393-C401 WeakPolarHBondContact CD1-O 3.28Å; L393-C401 HydrophobicContact CD2-CB 4.26Å; L393-C401 HydrophobicContact CG-CB 4.08Å; L393-Y414 HydrophobicContact CB-CD1 4.13Å; L393-Y414 HydrophobicContact CB-CE1 4.31Å; L393-Y414 HydrophobicContact CD2-CD1 4.03Å; L393-Y414 HydrophobicContact CD2-CE1 3.82Å; L393-K415 HydrophobicContact CD1-CD 4.23Å; L393-K415 HydrophobicContact CD1-CG 3.98Å; L393-P457 HydrophobicContact CD2-CG 4.35Å
394	S	88.1	Confident	87.1	Confident	57 Å²	57	55.1 Å²	55.1	40%	0.399	33%	0.325	S	S	.	.			trans	-99.6	109.3	174.2	-175	0	0	0	0	109.7	C401 P402	S394-C401 WeakPolarHBondContact O-CA 3.36Å; S394-P402 PolarHBondContact N-O 2.87Å; S394-P402 WeakPolarHBondContact O-CD 3.43Å
395	I	84.3	Confident	86.9	Confident	93 Å²	93	55.5 Å²	55.5	48%	0.477	34%	0.34	S	S	.	.			trans	-80.9	119.9	176.3	-57.1	177.5	0	0	0	109.2	L460	I395-L460 HydrophobicContact CG2-CD1 3.76Å; I395-L460 HydrophobicContact CG2-CD2 3.74Å; I395-L460 HydrophobicContact CG2-CG 4.43Å
396	N	79.4	Confident	86.7	Confident	51 Å²	51	56.5 Å²	56.5	27%	0.273	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-138.1	109.7	178.1	176	-13.1	0	0	0	110	S398 Q399 G400	N396-S398 PolarHBondContact O-N 3.31Å; N396-S398 PolarHBondContact OD1-N 2.93Å; N396-S398 PolarHBondContact OD1-OG 3.46Å; N396-Q399 HydrophobicContact CB-CB 4.32Å; N396-Q399 PolarHBondContact ND2-OE1 3.12Å; N396-Q399 PolarHBondContact O-N 3.46Å; N396-G400 CarbonylContact C-O 3.52Å; N396-G400 PolarHBondContact N-O 3.28Å; N396-G400 PolarHBondContact O-N 2.83Å
397	T	72.5	Confident	86.5	Confident	136 Å²	136	59.9 Å²	59.9	83%	0.834	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-25.2	-177	-36.6	0	0	0	0	114.6
398	S	70.3	Confident	86.3	Confident	84 Å²	84	62.6 Å²	62.6	59%	0.587	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-37	177.4	68.1	0	0	0	0	114.3	N396	N396-S398 PolarHBondContact O-N 3.31Å; N396-S398 PolarHBondContact OD1-N 2.93Å; N396-S398 PolarHBondContact OD1-OG 3.46Å
399	Q	70.5	Confident	86	Confident	135 Å²	135	62 Å²	62	63%	0.631	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-15.5	-173.1	-69.2	179.2	-12.1	0	0	113.6	N396	N396-Q399 HydrophobicContact CB-CB 4.32Å; N396-Q399 PolarHBondContact ND2-OE1 3.12Å; N396-Q399 PolarHBondContact O-N 3.46Å
400	G	81.9	Confident	85.9	Confident	8 Å²	8	65.6 Å²	65.6	8%	0.082	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	97.2	-139.4	-170.1	0	0	0	0	0	111.8	N396 P402	N396-G400 CarbonylContact C-O 3.52Å; N396-G400 PolarHBondContact N-O 3.28Å; N396-G400 PolarHBondContact O-N 2.83Å; G400-P402 VanDerWaalsContact O-CD 3.3Å; G400-P402 WeakPolarHBondContact O-CD 3.49Å
401	C	87.7	Confident	85.9	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.014	39%	0.387	C	S	.	.	S	Bend	trans	-121.5	68	-179	-55.3	0	0	0	0	110	L393 S394 K415 R455 C456	L393-C401 HydrophobicContact CD1-CB 3.75Å; L393-C401 WeakPolarHBondContact CD1-O 3.28Å; L393-C401 HydrophobicContact CD2-CB 4.26Å; L393-C401 HydrophobicContact CG-CB 4.08Å; S394-C401 WeakPolarHBondContact O-CA 3.36Å; C401-K415 WeakPolarHBondContact O-CE 3.47Å; C401-K415 PolarHBondContact O-NZ 3.01Å; C401-R455 PolarHBondContact N-O 2.85Å; C401-C456 HydrophobicContact CB-CB 3.87Å; C401-C456 WeakPolarHBondContact CB-SG 3.45Å; C401-C456 PolarHBondContact N-SG 3.08Å; C401-C456 WeakPolarHBondContact SG-CB 3.35Å; C401-C456 CovalentContact SG-SG 2.05Å; C401-C456 PolarHBondContact SG-SG 2.98Å
402	P	89.3	Confident	85.8	Confident	48 Å²	48	64.2 Å²	64.2	31%	0.312	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-59.8	156.8	172.3	25.9	-35.6	0	0	0	112.2	S394 G400	S394-P402 PolarHBondContact N-O 2.87Å; S394-P402 WeakPolarHBondContact O-CD 3.43Å; G400-P402 VanDerWaalsContact O-CD 3.3Å; G400-P402 WeakPolarHBondContact O-CD 3.49Å
403	C	90.8	Very high	85.8	Confident	36 Å²	36	65.5 Å²	65.5	24%	0.243	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-81	147.1	171.8	-60.3	0	0	0	0	110.7	A392 C411 K415	A392-C403 WeakPolarHBondContact O-CA 3.15Å; C403-C411 WeakPolarHBondContact CA-SG 3.39Å; C403-C411 HydrophobicContact CB-CB 3.48Å; C403-C411 VanDerWaalsContact CB-CB 3.48Å; C403-C411 WeakPolarHBondContact CB-SG 3.48Å; C403-C411 WeakPolarHBondContact SG-CB 3.27Å; C403-C411 CovalentContact SG-SG 2.03Å; C403-C411 PolarHBondContact SG-SG 3.32Å; C403-K415 PolarHBondContact SG-NZ 3.4Å; C403-K415 VanDerWaalsContact SG-NZ 3.4Å
404	V	91.7	Very high	85.9	Confident	59 Å²	59	65.4 Å²	65.4	36%	0.358	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-68.1	129.6	167.2	178.4	0	0	0	0	108.4	A392 G406 K407	A392-V404 PolarHBondContact O-N 3.44Å; V404-G406 PolarHBondContact O-N 3.48Å; V404-K407 HydrophobicContact CB-CB 4.5Å; V404-K407 PolarHBondContact O-N 2.79Å
405	A	88.6	Confident	86.1	Confident	90 Å²	90	64 Å²	64	74%	0.744	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	131.8	-176.7	0	0	0	0	0	111.8	K407 E408	A405-K407 VanDerWaalsContact C-N 3.32Å; A405-E408 VanDerWaalsContact CA-OE1 3.31Å; A405-E408 WeakPolarHBondContact CA-OE1 3.43Å
406	G	88.1	Confident	86.6	Confident	69 Å²	69	60.1 Å²	60.1	71%	0.711	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	3.6	-174.4	0	0	0	0	0	114.9	V404 E408	V404-G406 PolarHBondContact O-N 3.48Å; G406-E408 VanDerWaalsContact C-OE2 3.25Å; G406-E408 WeakPolarHBondContact CA-OE2 3.19Å; G406-E408 VanDerWaalsContact N-CD 3.3Å; G406-E408 PolarHBondContact N-OE1 2.04Å; G406-E408 PolarHBondContact N-OE2 2.84Å
407	K	90.6	Very high	87.3	Confident	70 Å²	70	57.8 Å²	57.8	30%	0.304	35%	0.347	S	S	.	.			trans	-122.1	21.8	172.4	-68.2	-169.9	166.4	-168.6	0	112.9	S391 A392 V404 A405 T409 Q410 C411	S391-K407 PolarHBondContact O-NZ 3.5Å; S391-K407 PolarHBondContact OG-NZ 3.14Å; A392-K407 HydrophobicContact CB-CB 3.69Å; A392-K407 HydrophobicContact CB-CD 3.86Å; A392-K407 HydrophobicContact CB-CG 4.45Å; V404-K407 HydrophobicContact CB-CB 4.5Å; V404-K407 PolarHBondContact O-N 2.79Å; A405-K407 VanDerWaalsContact C-N 3.32Å; K407-T409 VanDerWaalsContact C-N 3.32Å; K407-T409 PolarHBondContact O-N 2.84Å; K407-Q410 PolarHBondContact O-N 3.34Å; K407-Q410 VanDerWaalsContact O-N 3.12Å; K407-C411 WeakPolarHBondContact O-CB 3.2Å; K407-C411 PolarHBondContact O-N 3.17Å
408	E	88.7	Confident	88.3	Confident	91 Å²	91	51.3 Å²	51.3	43%	0.425	31%	0.307	S	S	.	.	H	α-helix	trans	-55.4	-43.2	-172.1	-67.2	75.1	-168.1	0	0	112.5	A405 G406 C411 N412	A405-E408 VanDerWaalsContact CA-OE1 3.31Å; A405-E408 WeakPolarHBondContact CA-OE1 3.43Å; G406-E408 VanDerWaalsContact C-OE2 3.25Å; G406-E408 WeakPolarHBondContact CA-OE2 3.19Å; G406-E408 VanDerWaalsContact N-CD 3.3Å; G406-E408 PolarHBondContact N-OE1 2.04Å; G406-E408 PolarHBondContact N-OE2 2.84Å; E408-C411 WeakPolarHBondContact O-CB 3.06Å; E408-C411 PolarHBondContact O-N 3.17Å; E408-N412 WeakPolarHBondContact O-CB 3.5Å; E408-N412 PolarHBondContact O-N 3.39Å; E408-N412 PolarHBondContact O-ND2 3.49Å
409	T	85.5	Confident	89.4	Confident	121 Å²	121	48.7 Å²	48.7	74%	0.742	28%	0.284	S	S	*	.	H	α-helix	trans	-64.3	-44.6	177.8	-44.9	0	0	0	0	112.3	K407 C411 N412 N413	K407-T409 VanDerWaalsContact C-N 3.32Å; K407-T409 PolarHBondContact O-N 2.84Å; T409-C411 VanDerWaalsContact C-N 3.35Å; T409-N412 PolarHBondContact O-N 3.42Å; T409-N413 VanDerWaalsContact O-CB 3.26Å; T409-N413 WeakPolarHBondContact O-CB 3.47Å; T409-N413 PolarHBondContact O-N 3.31Å
410	Q	89.9	Confident	90.4	Very high	89 Å²	89	46 Å²	46	42%	0.416	27%	0.268	S	S	.	.	H	α-helix	trans	-63.2	-42.9	176.5	-68.3	177.8	-18.1	0	0	111	A392 K407 Y414	A392-Q410 HydrophobicContact CB-CB 3.78Å; K407-Q410 PolarHBondContact O-N 3.34Å; K407-Q410 VanDerWaalsContact O-N 3.12Å; Q410-Y414 WeakPolarHBondContact O-CB 3.39Å; Q410-Y414 PolarHBondContact O-N 3.37Å
411	C	91.9	Very high	90.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.7	-47.8	177.2	173.9	0	0	0	0	112.6	A392 C403 K407 E408 T409 Y414 K415	A392-C411 HydrophobicContact CB-CB 3.78Å; A392-C411 WeakPolarHBondContact O-CB 3.44Å; C403-C411 WeakPolarHBondContact CA-SG 3.39Å; C403-C411 HydrophobicContact CB-CB 3.48Å; C403-C411 VanDerWaalsContact CB-CB 3.48Å; C403-C411 WeakPolarHBondContact CB-SG 3.48Å; C403-C411 WeakPolarHBondContact SG-CB 3.27Å; C403-C411 CovalentContact SG-SG 2.03Å; C403-C411 PolarHBondContact SG-SG 3.32Å; K407-C411 WeakPolarHBondContact O-CB 3.2Å; K407-C411 PolarHBondContact O-N 3.17Å; E408-C411 WeakPolarHBondContact O-CB 3.06Å; E408-C411 PolarHBondContact O-N 3.17Å; T409-C411 VanDerWaalsContact C-N 3.35Å; C411-Y414 PolarHBondContact O-N 2.84Å; C411-K415 VanDerWaalsContact O-CB 3.31Å; C411-K415 WeakPolarHBondContact O-CB 3.05Å; C411-K415 VanDerWaalsContact O-CG 3.23Å; C411-K415 WeakPolarHBondContact O-CG 3.39Å; C411-K415 PolarHBondContact O-N 2.83Å; C411-K415 WeakPolarHBondContact SG-CE 3.46Å
412	N	89.5	Confident	89.7	Confident	91 Å²	91	48.2 Å²	48.2	49%	0.487	28%	0.282	S	S	.	.	H	α-helix	trans	-67	-39.2	-179	-70.8	-14.8	0	0	0	111.5	E408 T409 K415 Q416	E408-N412 WeakPolarHBondContact O-CB 3.5Å; E408-N412 PolarHBondContact O-N 3.39Å; E408-N412 PolarHBondContact O-ND2 3.49Å; T409-N412 PolarHBondContact O-N 3.42Å; N412-K415 WeakPolarHBondContact O-CB 3.2Å; N412-K415 PolarHBondContact O-N 3.21Å; N412-Q416 PolarHBondContact O-N 3.39Å; N412-Q416 VanDerWaalsContact O-N 3.13Å
413	N	90.9	Very high	89.6	Confident	27 Å²	27	46.9 Å²	46.9	14%	0.144	28%	0.276	C	S	.	.	H	α-helix	trans	-59	-54.2	172	-167.7	38.8	0	0	0	111.1	G368 V369 T409 K415 Q416 F417	G368-N413 WeakPolarHBondContact CA-OD1 3.48Å; V369-N413 PolarHBondContact N-OD1 3.01Å; V369-N413 PolarHBondContact O-ND2 3.24Å; V369-N413 PolarHBondContact O-OD1 2.75Å; T409-N413 VanDerWaalsContact O-CB 3.26Å; T409-N413 WeakPolarHBondContact O-CB 3.47Å; T409-N413 PolarHBondContact O-N 3.31Å; N413-K415 VanDerWaalsContact C-N 3.31Å; N413-K415 PolarHBondContact O-N 3.38Å; N413-Q416 PolarHBondContact O-N 2.78Å; N413-F417 WeakPolarHBondContact O-CD2 3.41Å; N413-F417 PolarHBondContact O-N 2.82Å; N413-F417 VanDerWaalsContact O-N 3.13Å; N413-F417 WeakPolarHBondContact OD1-CE2 3.07Å
414	Y	93.9	Very high	89.7	Confident	16 Å²	16	48.9 Å²	48.9	6%	0.063	28%	0.282	C	S	.	.	H	α-helix	trans	-57.6	-41.2	177.4	-179.5	-105.7	0	0	0	112.7	V386 S390 L393 Q410 C411 Q416 F417 T418	V386-Y414 HydrophobicContact CG1-CD2 4.05Å; V386-Y414 VanDerWaalsContact O-CD2 3.23Å; V386-Y414 WeakPolarHBondContact O-CD2 3.46Å; S390-Y414 VanDerWaalsContact CB-CZ 3.46Å; L393-Y414 HydrophobicContact CB-CD1 4.13Å; L393-Y414 HydrophobicContact CB-CE1 4.31Å; L393-Y414 HydrophobicContact CD2-CD1 4.03Å; L393-Y414 HydrophobicContact CD2-CE1 3.82Å; Q410-Y414 WeakPolarHBondContact O-CB 3.39Å; Q410-Y414 PolarHBondContact O-N 3.37Å; C411-Y414 PolarHBondContact O-N 2.84Å; Y414-Q416 VanDerWaalsContact C-N 3.3Å; Y414-Q416 PolarHBondContact O-N 3.02Å; Y414-F417 PolarHBondContact O-N 3.2Å; Y414-T418 HydrophobicContact CD2-CG2 4.18Å; Y414-T418 HydrophobicContact CE1-CG2 4.11Å; Y414-T418 HydrophobicContact CE2-CG2 3.71Å; Y414-T418 WeakPolarHBondContact O-CB 3.31Å; Y414-T418 PolarHBondContact O-N 3.05Å; Y414-T418 PolarHBondContact O-OG1 2.96Å
415	K	92.8	Very high	89.9	Confident	29 Å²	29	46.1 Å²	46.1	13%	0.126	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-35.7	174.8	-82.5	174.5	173.6	178.8	0	113.4	L393 C401 C403 C411 N412 N413 Y419 I451 P457	L393-K415 HydrophobicContact CD1-CD 4.23Å; L393-K415 HydrophobicContact CD1-CG 3.98Å; C401-K415 WeakPolarHBondContact O-CE 3.47Å; C401-K415 PolarHBondContact O-NZ 3.01Å; C403-K415 PolarHBondContact SG-NZ 3.4Å; C403-K415 VanDerWaalsContact SG-NZ 3.4Å; C411-K415 VanDerWaalsContact O-CB 3.31Å; C411-K415 WeakPolarHBondContact O-CB 3.05Å; C411-K415 VanDerWaalsContact O-CG 3.23Å; C411-K415 WeakPolarHBondContact O-CG 3.39Å; C411-K415 PolarHBondContact O-N 2.83Å; C411-K415 WeakPolarHBondContact SG-CE 3.46Å; N412-K415 WeakPolarHBondContact O-CB 3.2Å; N412-K415 PolarHBondContact O-N 3.21Å; N413-K415 VanDerWaalsContact C-N 3.31Å; N413-K415 PolarHBondContact O-N 3.38Å; K415-Y419 PolarHBondContact O-N 3.34Å; K415-Y419 VanDerWaalsContact O-N 3.09Å; K415-I451 HydrophobicContact CB-CD1 3.81Å; K415-I451 HydrophobicContact CD-CD1 4.23Å; K415-I451 HydrophobicContact CG-CD1 4.29Å; K415-P457 HydrophobicContact CB-CB 4.2Å; K415-P457 HydrophobicContact CB-CG 4.36Å; K415-P457 HydrophobicContact CG-CB 4.26Å; K415-P457 HydrophobicContact CG-CG 3.94Å; K415-P457 VanDerWaalsContact O-CB 3.31Å; K415-P457 WeakPolarHBondContact O-CB 3.35Å
416	Q	93.2	Very high	90.2	Very high	11 Å²	11	41.8 Å²	41.8	5%	0.051	23%	0.23	C	C	.	.	H	α-helix	trans	-79.7	-39.4	179.9	-177.5	54.9	75.6	0	0	112	V367 N412 N413 Y414 T418 Y419 F447 R449	V367-Q416 WeakPolarHBondContact O-CG 3.24Å; N412-Q416 PolarHBondContact O-N 3.39Å; N412-Q416 VanDerWaalsContact O-N 3.13Å; N413-Q416 PolarHBondContact O-N 2.78Å; Y414-Q416 VanDerWaalsContact C-N 3.3Å; Y414-Q416 PolarHBondContact O-N 3.02Å; Q416-T418 VanDerWaalsContact C-N 3.29Å; Q416-T418 PolarHBondContact O-N 2.91Å; Q416-Y419 PolarHBondContact O-N 2.84Å; Q416-F447 HydrophobicContact CG-CD2 3.98Å; Q416-F447 HydrophobicContact CG-CE2 4.27Å; Q416-R449 PolarHBondContact NE2-O 2.85Å
417	F	94.3	Very high	90.7	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-61	-37.5	170.2	-83.9	-87.8	0	0	0	112.1	V324 R328 V370 V386 N413 Y414 C445 F447	V324-F417 HydrophobicContact CG1-CD1 4.21Å; V324-F417 HydrophobicContact CG2-CD1 4.34Å; V324-F417 HydrophobicContact CG2-CE1 4.33Å; R328-F417 WeakPolarHBondContact CG-O 3.48Å; R328-F417 PolarHBondContact NH1-O 3.28Å; V370-F417 HydrophobicContact CG2-CE2 4.26Å; V370-F417 HydrophobicContact CG2-CZ 4.11Å; V386-F417 HydrophobicContact CG1-CB 3.71Å; V386-F417 HydrophobicContact CG1-CD1 4.2Å; V386-F417 HydrophobicContact CG1-CD2 3.76Å; V386-F417 HydrophobicContact CG1-CE2 4.42Å; V386-F417 HydrophobicContact CG1-CG 3.64Å; V386-F417 HydrophobicContact CG2-CD1 4.24Å; V386-F417 HydrophobicContact CG2-CD2 3.88Å; V386-F417 HydrophobicContact CG2-CE1 4.09Å; V386-F417 HydrophobicContact CG2-CE2 3.7Å; V386-F417 HydrophobicContact CG2-CG 4.17Å; V386-F417 HydrophobicContact CG2-CZ 3.83Å; N413-F417 WeakPolarHBondContact O-CD2 3.41Å; N413-F417 PolarHBondContact O-N 2.82Å; N413-F417 VanDerWaalsContact O-N 3.13Å; N413-F417 WeakPolarHBondContact OD1-CE2 3.07Å; Y414-F417 PolarHBondContact O-N 3.2Å; F417-C445 HydrophobicContact CE1-CB 4.13Å; F417-C445 HydrophobicContact CZ-CB 4.01Å; F417-F447 HydrophobicContact CB-CZ 4.48Å; F417-F447 HydrophobicContact CD1-CE1 4.47Å; F417-F447 HydrophobicContact CD1-CE2 4.47Å; F417-F447 AromaticContact CD1-CZ 3.62Å; F417-F447 HydrophobicContact CD1-CZ 3.62Å; F417-F447 AromaticContact CE1-CZ 3.89Å; F417-F447 HydrophobicContact CE1-CZ 3.89Å; F417-F447 AromaticContact CG-CZ 3.95Å; F417-F447 HydrophobicContact CG-CZ 3.95Å; F417-F447 HydrophobicContact CZ-CZ 4.46Å
418	T	93.8	Very high	90.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	11.8	-179.7	59.7	0	0	0	0	114.9	V331 M336 Y414 Q416 W420 Y458	V331-T418 HydrophobicContact CG2-CG2 3.93Å; M336-T418 VanDerWaalsContact CE-O 3.28Å; M336-T418 WeakPolarHBondContact CE-O 3.49Å; M336-T418 VanDerWaalsContact SD-O 3.39Å; Y414-T418 HydrophobicContact CD2-CG2 4.18Å; Y414-T418 HydrophobicContact CE1-CG2 4.11Å; Y414-T418 HydrophobicContact CE2-CG2 3.71Å; Y414-T418 WeakPolarHBondContact O-CB 3.31Å; Y414-T418 PolarHBondContact O-N 3.05Å; Y414-T418 PolarHBondContact O-OG1 2.96Å; Q416-T418 VanDerWaalsContact C-N 3.29Å; Q416-T418 PolarHBondContact O-N 2.91Å; T418-W420 PolarHBondContact O-N 3.32Å; T418-Y458 WeakPolarHBondContact O-CD1 3.46Å
419	Y	93.5	Very high	91.1	Very high	29 Å²	29	31.3 Å²	31.3	11%	0.114	16%	0.164	C	C	.	.			trans	-66.2	126.7	-178.5	-173.2	-117.8	0	0	0	111.8	R328 K415 Q416 N421 R449 R450 I451 P457	R328-Y419 PolarHBondContact NH1-O 3.21Å; R328-Y419 PolarHBondContact NH2-O 2.93Å; K415-Y419 PolarHBondContact O-N 3.34Å; K415-Y419 VanDerWaalsContact O-N 3.09Å; Q416-Y419 PolarHBondContact O-N 2.84Å; Y419-N421 HydrophobicContact CD1-CB 4.35Å; Y419-N421 HydrophobicContact CE1-CB 3.91Å; Y419-N421 PolarHBondContact O-N 3.45Å; Y419-R449 HydrophobicContact CD1-CB 4.2Å; Y419-R449 HydrophobicContact CE1-CB 4.2Å; Y419-R450 WeakPolarHBondContact CE1-O 3.06Å; Y419-R450 VanDerWaalsContact CZ-O 3.31Å; Y419-R450 PolarHBondContact OH-O 2.97Å; Y419-I451 HydrophobicContact CD2-CB 3.84Å; Y419-I451 HydrophobicContact CD2-CD1 4.26Å; Y419-I451 HydrophobicContact CD2-CG1 3.81Å; Y419-I451 HydrophobicContact CE2-CB 4.09Å; Y419-I451 HydrophobicContact CE2-CG1 3.89Å; Y419-I451 HydrophobicContact CG-CB 4.3Å; Y419-P457 WeakPolarHBondContact CA-O 3.47Å; Y419-P457 HydrophobicContact CD2-CB 4.44Å; Y419-P457 WeakPolarHBondContact CD2-O 3.31Å
420	W	90.9	Very high	91.4	Very high	78 Å²	78	25.5 Å²	25.5	30%	0.295	13%	0.128	S	C	.	.	S	Bend	trans	-59.7	-44.9	-165.5	72.9	-90.7	0	0	0	114	R328 N335 E337 T418 A422 P457	R328-W420 PolarHBondContact NH2-O 2.84Å; N335-W420 HydrophobicContact CB-CE3 4.25Å; N335-W420 VanDerWaalsContact ND2-CG 3.27Å; N335-W420 VanDerWaalsContact OD1-CB 3.28Å; N335-W420 WeakPolarHBondContact OD1-CB 3.44Å; E337-W420 PolarHBondContact N-O 2.93Å; T418-W420 PolarHBondContact O-N 3.32Å; W420-A422 PolarHBondContact O-N 3.24Å; W420-P457 VanDerWaalsContact CD1-O 3.32Å; W420-P457 PolarHBondContact N-O 3.47Å
421	N	87.3	Confident	91.4	Very high	37 Å²	37	22.3 Å²	22.3	20%	0.198	12%	0.115	C	C	.	.	S	Bend	trans	-73.5	103.7	-173.6	-167.7	-106.5	0	0	0	109.1	E337 Y419 G423 R449	E337-N421 VanDerWaalsContact OE2-CA 3.31Å; E337-N421 WeakPolarHBondContact OE2-CA 3.19Å; E337-N421 PolarHBondContact OE2-ND2 3.42Å; Y419-N421 HydrophobicContact CD1-CB 4.35Å; Y419-N421 HydrophobicContact CE1-CB 3.91Å; Y419-N421 PolarHBondContact O-N 3.45Å; N421-G423 PolarHBondContact O-N 2.94Å; N421-R449 WeakPolarHBondContact OD1-CD 3.37Å; N421-R449 WeakPolarHBondContact OD1-CG 3.33Å; N421-R449 PolarHBondContact OD1-NE 2.96Å
422	A	68.7	Low	91.3	Very high	21 Å²	21	23 Å²	23	17%	0.174	12%	0.119	C	C	.	.			trans	-85	112.2	-174.9	0	0	0	0	0	109.6	E337 C338 L339 W420	E337-A422 VanDerWaalsContact C-CB 3.48Å; E337-A422 HydrophobicContact CB-CB 3.36Å; E337-A422 WeakPolarHBondContact O-CB 3.29Å; E337-A422 PolarHBondContact OE2-N 3.17Å; C338-A422 VanDerWaalsContact C-CB 3.41Å; C338-A422 WeakPolarHBondContact O-CB 3.37Å; L339-A422 HydrophobicContact CD2-CB 3.92Å; L339-A422 HydrophobicContact CG-CB 4.25Å; W420-A422 PolarHBondContact O-N 3.24Å
423	G	86.3	Confident	91.1	Very high	19 Å²	19	20.5 Å²	20.5	20%	0.196	11%	0.109	C	C	.	.			trans	-86.9	-144.2	157.5	0	0	0	0	0	110.3	L339 N421	L339-G423 WeakPolarHBondContact CD2-O 3.21Å; N421-G423 PolarHBondContact O-N 2.94Å
424	Q	93.7	Very high	90.3	Very high	79 Å²	79	21.7 Å²	21.7	37%	0.369	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	158.1	168.8	-67.5	151.3	-29	0	0	110.9	I340 N342 I345 F447 A448	I340-Q424 HydrophobicContact CB-CG 4.44Å; I340-Q424 CarbonylContact O-C 3.57Å; I340-Q424 WeakPolarHBondContact O-CA 3.41Å; I340-Q424 WeakPolarHBondContact O-CB 3.34Å; N342-Q424 HydrophobicContact CB-CB 3.59Å; N342-Q424 HydrophobicContact CB-CG 3.97Å; N342-Q424 PolarHBondContact ND2-OE1 2.67Å; I345-Q424 HydrophobicContact CD1-CB 3.82Å; Q424-F447 CarbonylContact O-C 3.6Å; Q424-F447 WeakPolarHBondContact O-CA 2.96Å; Q424-A448 HydrophobicContact CB-CB 4.39Å; Q424-A448 PolarHBondContact O-N 2.88Å
425	I	95.6	Very high	89	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	147.8	170.3	-169.2	178	0	0	0	109.4	L321 V324 L339 I340 W341 N342 C445 L446 F447	L321-I425 HydrophobicContact CD1-CG2 3.56Å; V324-I425 HydrophobicContact CG1-CD1 4.28Å; L339-I425 HydrophobicContact CB-CG2 4.15Å; L339-I425 HydrophobicContact CD1-CB 4.32Å; L339-I425 HydrophobicContact CD1-CD1 4.26Å; I340-I425 PolarHBondContact O-N 3.38Å; W341-I425 CarbonylContact C-O 3.57Å; W341-I425 VanDerWaalsContact CA-O 3.31Å; W341-I425 WeakPolarHBondContact CA-O 3.4Å; W341-I425 HydrophobicContact CE3-CG2 4.11Å; N342-I425 PolarHBondContact N-O 2.71Å; I425-C445 HydrophobicContact CD1-CB 4.3Å; I425-C445 HydrophobicContact CG1-CB 4.47Å; I425-L446 WeakPolarHBondContact CA-O 3.46Å; I425-F447 HydrophobicContact CB-CD1 4.34Å; I425-F447 HydrophobicContact CB-CE1 4.44Å; I425-F447 HydrophobicContact CD1-CD1 4.24Å; I425-F447 HydrophobicContact CD1-CE1 3.53Å; I425-F447 HydrophobicContact CD1-CZ 3.79Å; I425-F447 HydrophobicContact CG1-CD1 4.07Å; I425-F447 HydrophobicContact CG1-CE1 3.86Å; I425-F447 HydrophobicContact CG1-CZ 4.25Å
426	G	95.9	Very high	87.4	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	134.3	163.8	0	0	0	0	0	109	L446	G426-L446 PolarHBondContact N-O 2.65Å; G426-L446 PolarHBondContact O-N 3Å
427	C	96.8	Very high	86.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	157.8	-175.6	-48.4	0	0	0	0	112.4	L312 W341 L443 T444 C445	L312-C427 VanDerWaalsContact CD1-O 3.26Å; L312-C427 WeakPolarHBondContact CD1-O 3.29Å; W341-C427 HydrophobicContact CH2-CB 3.81Å; W341-C427 HydrophobicContact CZ3-CB 4.43Å; C427-L443 HydrophobicContact CB-CD1 3.79Å; C427-T444 CarbonylContact C-O 3.58Å; C427-T444 WeakPolarHBondContact CA-O 3.38Å; C427-T444 WeakPolarHBondContact CB-O 3.39Å; C427-C445 HydrophobicContact CB-CB 4.02Å; C427-C445 WeakPolarHBondContact CB-SG 3.28Å; C427-C445 VanDerWaalsContact SG-CA 3.56Å; C427-C445 WeakPolarHBondContact SG-CB 3.31Å; C427-C445 CovalentContact SG-SG 2.04Å; C427-C445 PolarHBondContact SG-SG 3.28Å
428	A	94.9	Very high	85.3	Confident	2 Å²	2	39.8 Å²	39.8	2%	0.017	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	144.9	174.4	0	0	0	0	0	110.3	A349 Q350 A353 T444	A349-A428 HydrophobicContact CB-CB 4.03Å; Q350-A428 VanDerWaalsContact CA-CB 3.49Å; Q350-A428 HydrophobicContact CB-CB 4.07Å; Q350-A428 HydrophobicContact CG-CB 3.49Å; Q350-A428 VanDerWaalsContact CG-CB 3.49Å; A353-A428 HydrophobicContact CB-CB 3.97Å; A428-T444 PolarHBondContact N-O 2.7Å; A428-T444 PolarHBondContact O-N 3.08Å
429	V	93.5	Very high	84.7	Confident	7 Å²	7	43.2 Å²	43.2	4%	0.042	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.2	172	172.5	0	0	0	0	109.5	V310 L312 Y382 V442 L443	V310-V429 HydrophobicContact CB-CB 4.07Å; V310-V429 HydrophobicContact CB-CG1 3.86Å; V310-V429 HydrophobicContact CG2-CG1 3.99Å; V310-V429 PolarHBondContact N-O 3.14Å; L312-V429 HydrophobicContact CD2-CB 4.39Å; L312-V429 HydrophobicContact CD2-CG2 3.96Å; Y382-V429 HydrophobicContact CE2-CG1 4.37Å; Y382-V429 HydrophobicContact CE2-CG2 3.69Å; Y382-V429 VanDerWaalsContact OH-CG1 3.28Å; Y382-V429 WeakPolarHBondContact OH-CG1 3.4Å; V429-V442 CarbonylContact C-O 3.52Å; V429-V442 VanDerWaalsContact CA-O 3.28Å; V429-V442 WeakPolarHBondContact CA-O 3.49Å; V429-L443 HydrophobicContact CG2-CB 4.39Å; V429-L443 HydrophobicContact CG2-CD1 3.56Å
430	S	91.9	Very high	84.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.1	168	65.2	0	0	0	0	112.1	R308 A353 C432 V442	R308-S430 CarbonylContact O-C 3.49Å; R308-S430 WeakPolarHBondContact O-CA 2.93Å; A353-S430 WeakPolarHBondContact O-CB 3.32Å; A353-S430 PolarHBondContact O-OG 2.75Å; S430-C432 PolarHBondContact OG-SG 3.44Å; S430-V442 PolarHBondContact N-O 3.36Å; S430-V442 PolarHBondContact O-N 2.96Å
431	V	90.9	Very high	84.4	Confident	21 Å²	21	42.4 Å²	42.4	13%	0.127	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.7	165.5	-171	0	0	0	0	107.6	S307 R308 V310	S307-V431 CarbonylContact C-O 3.57Å; S307-V431 WeakPolarHBondContact CA-O 3.35Å; R308-V431 PolarHBondContact N-O 2.93Å; R308-V431 PolarHBondContact O-N 2.93Å; V310-V431 HydrophobicContact CG2-CG2 3.82Å
432	C	88.9	Confident	84.6	Confident	14 Å²	14	40.8 Å²	40.8	10%	0.095	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	106.6	-174.1	-64.9	0	0	0	0	109.7	C356 S430 T439 M440 V442	C356-C432 VanDerWaalsContact CA-SG 3.53Å; C356-C432 HydrophobicContact CB-CB 3.74Å; C356-C432 WeakPolarHBondContact CB-SG 3.41Å; C356-C432 WeakPolarHBondContact SG-CA 3.48Å; C356-C432 WeakPolarHBondContact SG-CB 3.24Å; C356-C432 CovalentContact SG-SG 2.02Å; C356-C432 PolarHBondContact SG-SG 3.43Å; S430-C432 PolarHBondContact OG-SG 3.44Å; C432-T439 WeakPolarHBondContact O-CA 3.24Å; C432-M440 PolarHBondContact N-O 3.48Å; C432-M440 PolarHBondContact O-N 2.91Å; C432-V442 HydrophobicContact CB-CG2 4.3Å
433	S	85.5	Confident	85.8	Confident	39 Å²	39	39.8 Å²	39.8	27%	0.273	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	115.1	-177.1	-58.7	0	0	0	0	110.6	T305 Q306 V438	T305-S433 CarbonylContact C-O 3.45Å; T305-S433 VanDerWaalsContact CA-O 3.27Å; T305-S433 WeakPolarHBondContact CA-O 3.42Å; Q306-S433 PolarHBondContact N-O 3.45Å; Q306-S433 PolarHBondContact O-N 3.19Å; S433-V438 WeakPolarHBondContact CA-O 3.48Å
434	S	73.2	Confident	86.2	Confident	53 Å²	53	39.1 Å²	39.1	37%	0.371	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131.2	174.1	-166.2	0	0	0	0	111.2	P436 N437 V438	S434-P436 CarbonylContact O-C 3.57Å; S434-N437 PolarHBondContact O-N 2.88Å; S434-V438 PolarHBondContact N-O 2.99Å; S434-V438 PolarHBondContact O-N 2.86Å
435	P	67.6	Low	86.3	Confident	74 Å²	74	35.3 Å²	35.3	48%	0.481	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	138.4	174.4	-20.8	33	0	0	0	112.4
436	P	59.5	Low	86.3	Confident	117 Å²	117	35.4 Å²	35.4	76%	0.76	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	cis	-90.9	117.6	-5	33.8	-29.1	0	0	0	112.1	S434 V438	S434-P436 CarbonylContact O-C 3.57Å; P436-V438 VanDerWaalsContact C-N 3.28Å; P436-V438 PolarHBondContact O-N 3.34Å; P436-V438 VanDerWaalsContact O-N 3.11Å
437	N	65.8	Low	86.3	Confident	160 Å²	160	35.7 Å²	35.7	86%	0.856	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	22.9	167	-59.5	-2	0	0	0	117.5	S434 T439	S434-N437 PolarHBondContact O-N 2.88Å; N437-T439 PolarHBondContact O-N 2.98Å
438	V	76.3	Confident	86.1	Confident	85 Å²	85	37.1 Å²	37.1	52%	0.515	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	104.3	170.6	-178.8	0	0	0	0	109	S433 S434 P436 M440	S433-V438 WeakPolarHBondContact CA-O 3.48Å; S434-V438 PolarHBondContact N-O 2.99Å; S434-V438 PolarHBondContact O-N 2.86Å; P436-V438 VanDerWaalsContact C-N 3.28Å; P436-V438 PolarHBondContact O-N 3.34Å; P436-V438 VanDerWaalsContact O-N 3.11Å; V438-M440 HydrophobicContact CG1-CG 4.45Å
439	T	81.8	Confident	85.9	Confident	72 Å²	72	43.3 Å²	43.3	44%	0.442	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127	171.6	52.3	0	0	0	0	110.8	C432 N437	C432-T439 WeakPolarHBondContact O-CA 3.24Å; N437-T439 PolarHBondContact O-N 2.98Å
440	M	87.9	Confident	85.7	Confident	64 Å²	64	46.2 Å²	46.2	32%	0.315	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	135.8	168.4	-63.5	-155.6	76.9	0	0	110.8	T372 C432 V438 V442	T372-M440 WeakPolarHBondContact O-CA 3.38Å; C432-M440 PolarHBondContact N-O 3.48Å; C432-M440 PolarHBondContact O-N 2.91Å; V438-M440 HydrophobicContact CG1-CG 4.45Å; M440-V442 HydrophobicContact CB-CG2 4.4Å
441	N	90.1	Very high	85.3	Confident	27 Å²	27	48.8 Å²	48.8	14%	0.144	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	129	170.2	-60.5	-51.1	0	0	0	108.1	T372 N374 V376 Y382	T372-N441 HydrophobicContact CG2-CB 3.98Å; T372-N441 PolarHBondContact N-O 3.32Å; T372-N441 PolarHBondContact O-N 3.27Å; N374-N441 PolarHBondContact O-ND2 3.4Å; V376-N441 HydrophobicContact CG2-CB 3.9Å; Y382-N441 WeakPolarHBondContact OH-CB 3.46Å
442	V	91.7	Very high	84.4	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	119.3	-170.2	-171.7	0	0	0	0	109.7	V369 V370 Y371 V429 S430 C432 M440	V369-V442 HydrophobicContact CG1-CG1 3.43Å; V369-V442 VanDerWaalsContact CG1-CG1 3.43Å; V370-V442 CarbonylContact O-C 3.57Å; V370-V442 WeakPolarHBondContact O-CA 3.47Å; Y371-V442 HydrophobicContact CD1-CB 4.4Å; Y371-V442 HydrophobicContact CD1-CG1 3.92Å; Y371-V442 HydrophobicContact CD1-CG2 3.65Å; Y371-V442 HydrophobicContact CE1-CG1 3.8Å; Y371-V442 HydrophobicContact CE1-CG2 3.96Å; V429-V442 CarbonylContact C-O 3.52Å; V429-V442 VanDerWaalsContact CA-O 3.28Å; V429-V442 WeakPolarHBondContact CA-O 3.49Å; S430-V442 PolarHBondContact N-O 3.36Å; S430-V442 PolarHBondContact O-N 2.96Å; C432-V442 HydrophobicContact CB-CG2 4.3Å; M440-V442 HydrophobicContact CB-CG2 4.4Å
443	L	94.3	Very high	83.2	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	118.2	166	177.6	72.6	0	0	0	108.6	I320 V369 V370 Y382 C427 V429	I320-L443 HydrophobicContact CD1-CD1 4.25Å; V369-L443 CarbonylContact C-O 3.52Å; V369-L443 VanDerWaalsContact CA-O 3.29Å; V369-L443 WeakPolarHBondContact CA-O 3.36Å; V370-L443 HydrophobicContact CB-CB 4.29Å; V370-L443 PolarHBondContact N-O 2.03Å; V370-L443 PolarHBondContact O-N 2.91Å; Y382-L443 VanDerWaalsContact CB-CD2 3.47Å; Y382-L443 HydrophobicContact CD1-CB 3.62Å; Y382-L443 HydrophobicContact CD2-CB 3.79Å; Y382-L443 HydrophobicContact CD2-CD1 4.46Å; Y382-L443 HydrophobicContact CD2-CD2 4.04Å; Y382-L443 HydrophobicContact CD2-CG 4.31Å; Y382-L443 HydrophobicContact CE1-CB 3.86Å; Y382-L443 HydrophobicContact CE2-CB 4.02Å; Y382-L443 HydrophobicContact CG-CB 3.58Å; Y382-L443 HydrophobicContact CG-CD2 3.86Å; Y382-L443 HydrophobicContact CG-CG 4.28Å; C427-L443 HydrophobicContact CB-CD1 3.79Å; V429-L443 HydrophobicContact CG2-CB 4.39Å; V429-L443 HydrophobicContact CG2-CD1 3.56Å
444	T	94.5	Very high	82.3	Confident	4 Å²	4	57.3 Å²	57.3	3%	0.025	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117.7	171.8	-62.6	0	0	0	0	108.6	L352 V369 C427 A428	L352-T444 HydrophobicContact CB-CG2 4.26Å; L352-T444 HydrophobicContact CD2-CG2 3.94Å; L352-T444 HydrophobicContact CG-CG2 4.17Å; V369-T444 HydrophobicContact CG2-CG2 4.26Å; C427-T444 CarbonylContact C-O 3.58Å; C427-T444 WeakPolarHBondContact CA-O 3.38Å; C427-T444 WeakPolarHBondContact CB-O 3.39Å; A428-T444 PolarHBondContact N-O 2.7Å; A428-T444 PolarHBondContact O-N 3.08Å
445	C	95.6	Very high	82.5	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.1	175	-73.3	0	0	0	0	110.7	G368 F417 I425 C427 F447	G368-C445 PolarHBondContact N-O 2.86Å; G368-C445 PolarHBondContact O-N 2.75Å; F417-C445 HydrophobicContact CE1-CB 4.13Å; F417-C445 HydrophobicContact CZ-CB 4.01Å; I425-C445 HydrophobicContact CD1-CB 4.3Å; I425-C445 HydrophobicContact CG1-CB 4.47Å; C427-C445 HydrophobicContact CB-CB 4.02Å; C427-C445 WeakPolarHBondContact CB-SG 3.28Å; C427-C445 VanDerWaalsContact SG-CA 3.56Å; C427-C445 WeakPolarHBondContact SG-CB 3.31Å; C427-C445 CovalentContact SG-SG 2.04Å; C427-C445 PolarHBondContact SG-SG 3.28Å; C445-F447 HydrophobicContact CB-CE2 3.83Å; C445-F447 HydrophobicContact CB-CZ 4.08Å
446	L	95.5	Very high	83.4	Confident	2 Å²	2	61.4 Å²	61.4	1%	0.01	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	143.1	171	-66.1	-173.7	0	0	0	110.4	I345 E348 A349 L352 P362 Y365 G366 V367 I425 G426	I345-L446 HydrophobicContact CG2-CB 3.5Å; I345-L446 VanDerWaalsContact CG2-CB 3.5Å; I345-L446 WeakPolarHBondContact CG2-O 3.26Å; E348-L446 VanDerWaalsContact C-CD1 3.5Å; E348-L446 HydrophobicContact CB-CD1 3.64Å; A349-L446 HydrophobicContact CB-CB 4.36Å; A349-L446 HydrophobicContact CB-CD1 4.11Å; A349-L446 HydrophobicContact CB-CG 3.91Å; L352-L446 HydrophobicContact CD2-CD2 4.03Å; P362-L446 HydrophobicContact CG-CD2 4.23Å; Y365-L446 HydrophobicContact CD2-CD1 3.94Å; Y365-L446 HydrophobicContact CG-CB 4.37Å; Y365-L446 HydrophobicContact CG-CD1 4.33Å; G366-L446 CarbonylContact O-C 3.44Å; G366-L446 WeakPolarHBondContact O-CA 3.47Å; V367-L446 HydrophobicContact CB-CD2 4.19Å; V367-L446 HydrophobicContact CG1-CD2 3.89Å; V367-L446 HydrophobicContact CG2-CD2 3.78Å; I425-L446 WeakPolarHBondContact CA-O 3.46Å; G426-L446 PolarHBondContact N-O 2.65Å; G426-L446 PolarHBondContact O-N 3Å
447	F	95.2	Very high	84.9	Confident	5 Å²	5	55.9 Å²	55.9	2%	0.022	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.2	-175.9	-60.2	-96.9	0	0	0	109.8	L339 Y365 G366 Q416 F417 Q424 I425 C445 R449	L339-F447 HydrophobicContact CD1-CD1 4.16Å; L339-F447 HydrophobicContact CD1-CE1 3.82Å; L339-F447 HydrophobicContact CD2-CD1 4.2Å; Y365-F447 CarbonylContact C-O 3.52Å; Y365-F447 WeakPolarHBondContact CA-O 3.01Å; Y365-F447 WeakPolarHBondContact CB-O 3.36Å; G366-F447 PolarHBondContact N-O 2.94Å; G366-F447 PolarHBondContact O-N 3.35Å; Q416-F447 HydrophobicContact CG-CD2 3.98Å; Q416-F447 HydrophobicContact CG-CE2 4.27Å; F417-F447 HydrophobicContact CB-CZ 4.48Å; F417-F447 HydrophobicContact CD1-CE1 4.47Å; F417-F447 HydrophobicContact CD1-CE2 4.47Å; F417-F447 AromaticContact CD1-CZ 3.62Å; F417-F447 HydrophobicContact CD1-CZ 3.62Å; F417-F447 AromaticContact CE1-CZ 3.89Å; F417-F447 HydrophobicContact CE1-CZ 3.89Å; F417-F447 AromaticContact CG-CZ 3.95Å; F417-F447 HydrophobicContact CG-CZ 3.95Å; F417-F447 HydrophobicContact CZ-CZ 4.46Å; Q424-F447 CarbonylContact O-C 3.6Å; Q424-F447 WeakPolarHBondContact O-CA 2.96Å; I425-F447 HydrophobicContact CB-CD1 4.34Å; I425-F447 HydrophobicContact CB-CE1 4.44Å; I425-F447 HydrophobicContact CD1-CD1 4.24Å; I425-F447 HydrophobicContact CD1-CE1 3.53Å; I425-F447 HydrophobicContact CD1-CZ 3.79Å; I425-F447 HydrophobicContact CG1-CD1 4.07Å; I425-F447 HydrophobicContact CG1-CE1 3.86Å; I425-F447 HydrophobicContact CG1-CZ 4.25Å; C445-F447 HydrophobicContact CB-CE2 3.83Å; C445-F447 HydrophobicContact CB-CZ 4.08Å; F447-R449 PolarHBondContact O-N 3.01Å
448	A	92.9	Very high	86	Confident	30 Å²	30	49 Å²	49	25%	0.248	27%	0.27	C	S	.	.	S	Bend	trans	-67.6	-0.8	177.9	0	0	0	0	0	114.5	I345 Q424	I345-A448 HydrophobicContact CD1-CB 3.79Å; Q424-A448 HydrophobicContact CB-CB 4.39Å; Q424-A448 PolarHBondContact O-N 2.88Å
449	R	91.3	Very high	86.6	Confident	133 Å²	133	46.3 Å²	46.3	50%	0.502	26%	0.257	S	S	.	.	S	Bend	trans	-133.9	132.4	178.7	-65.2	-62.6	-166.9	-139.7	1.6	111	Q416 Y419 N421 F447	Q416-R449 PolarHBondContact NE2-O 2.85Å; Y419-R449 HydrophobicContact CD1-CB 4.2Å; Y419-R449 HydrophobicContact CE1-CB 4.2Å; N421-R449 WeakPolarHBondContact OD1-CD 3.37Å; N421-R449 WeakPolarHBondContact OD1-CG 3.33Å; N421-R449 PolarHBondContact OD1-NE 2.96Å; F447-R449 PolarHBondContact O-N 3.01Å
450	R	88.6	Confident	86.7	Confident	68 Å²	68	46.4 Å²	46.4	26%	0.257	25%	0.254	S	S	.	.			trans	-91.9	151.9	172.9	-67.8	178.7	178.8	-116.4	-26.2	111.1	P362 E363 R364 Y365 Y419 N452	P362-R450 VanDerWaalsContact O-CZ 3.24Å; P362-R450 PolarHBondContact O-NH1 3.08Å; P362-R450 PolarHBondContact O-NH2 2.84Å; E363-R450 PolarHBondContact O-NE 2.83Å; E363-R450 PolarHBondContact O-NH2 3.44Å; R364-R450 PolarHBondContact O-NE 3.18Å; R364-R450 VanDerWaalsContact O-NE 3.16Å; Y365-R450 PolarHBondContact O-NH2 3.45Å; Y419-R450 WeakPolarHBondContact CE1-O 3.06Å; Y419-R450 VanDerWaalsContact CZ-O 3.31Å; Y419-R450 PolarHBondContact OH-O 2.97Å; R450-N452 PolarHBondContact O-N 3.38Å; R450-N452 PolarHBondContact O-OD1 2.04Å
451	I	85.1	Confident	86.4	Confident	53 Å²	53	45.2 Å²	45.2	27%	0.272	26%	0.259	S	S	.	.			trans	-70.2	96	167.7	-177.1	165.3	0	0	0	111.5	K415 Y419 G453 P457	K415-I451 HydrophobicContact CB-CD1 3.81Å; K415-I451 HydrophobicContact CD-CD1 4.23Å; K415-I451 HydrophobicContact CG-CD1 4.29Å; Y419-I451 HydrophobicContact CD2-CB 3.84Å; Y419-I451 HydrophobicContact CD2-CD1 4.26Å; Y419-I451 HydrophobicContact CD2-CG1 3.81Å; Y419-I451 HydrophobicContact CE2-CB 4.09Å; Y419-I451 HydrophobicContact CE2-CG1 3.89Å; Y419-I451 HydrophobicContact CG-CB 4.3Å; I451-G453 VanDerWaalsContact C-N 3.31Å; I451-G453 PolarHBondContact O-N 3.42Å; I451-P457 HydrophobicContact CD1-CB 3.97Å
452	N	70.3	Confident	86.2	Confident	129 Å²	129	49.5 Å²	49.5	69%	0.69	28%	0.282	S	S	*	.			trans	-79.4	70.5	-176.9	-75.6	0.9	0	0	0	112.7	R450 G454	R450-N452 PolarHBondContact O-N 3.38Å; R450-N452 PolarHBondContact O-OD1 2.04Å; N452-G454 PolarHBondContact O-N 2.86Å
453	G	64.9	Low	86.2	Confident	82 Å²	82	54.9 Å²	54.9	85%	0.845	31%	0.307	S	S	*	.	S	Bend	trans	62.5	8	164.3	0	0	0	0	0	117.4	I451	I451-G453 VanDerWaalsContact C-N 3.31Å; I451-G453 PolarHBondContact O-N 3.42Å
454	G	66.1	Low	85.9	Confident	42 Å²	42	55.8 Å²	55.8	43%	0.433	31%	0.313	S	S	.	.			trans	-66.6	150.5	-176.5	0	0	0	0	0	113.5	N452 C456	N452-G454 PolarHBondContact O-N 2.86Å; G454-C456 PolarHBondContact O-N 3.24Å
455	R	77.1	Confident	85.7	Confident	190 Å²	190	60.2 Å²	60.2	72%	0.717	33%	0.333	S	S	*	.	S	Bend	trans	-57.4	-32.4	176.8	-67.4	-164.1	-164.1	-175.3	7	113.1	C401	C401-R455 PolarHBondContact N-O 2.85Å
456	C	87.3	Confident	85.3	Confident	24 Å²	24	65.6 Å²	65.6	16%	0.162	36%	0.357	C	S	.	.	S	Bend	trans	-133.8	152.7	174.2	-71.9	0	0	0	0	109.4	C401 G454 Y458	C401-C456 HydrophobicContact CB-CB 3.87Å; C401-C456 WeakPolarHBondContact CB-SG 3.45Å; C401-C456 PolarHBondContact N-SG 3.08Å; C401-C456 WeakPolarHBondContact SG-CB 3.35Å; C401-C456 CovalentContact SG-SG 2.05Å; C401-C456 PolarHBondContact SG-SG 2.98Å; G454-C456 PolarHBondContact O-N 3.24Å; C456-Y458 VanDerWaalsContact CB-O 3.24Å; C456-Y458 WeakPolarHBondContact CB-O 3.35Å; C456-Y458 PolarHBondContact O-N 3.29Å
457	P	89.9	Confident	84.9	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	37%	0.368	C	S	.	.	S	Bend	trans	-66.5	-17.4	171.9	27	-34	0	0	0	113.2	L393 K415 Y419 W420 I451	L393-P457 HydrophobicContact CD2-CG 4.35Å; K415-P457 HydrophobicContact CB-CB 4.2Å; K415-P457 HydrophobicContact CB-CG 4.36Å; K415-P457 HydrophobicContact CG-CB 4.26Å; K415-P457 HydrophobicContact CG-CG 3.94Å; K415-P457 VanDerWaalsContact O-CB 3.31Å; K415-P457 WeakPolarHBondContact O-CB 3.35Å; Y419-P457 WeakPolarHBondContact CA-O 3.47Å; Y419-P457 HydrophobicContact CD2-CB 4.44Å; Y419-P457 WeakPolarHBondContact CD2-O 3.31Å; W420-P457 VanDerWaalsContact CD1-O 3.32Å; W420-P457 PolarHBondContact N-O 3.47Å; I451-P457 HydrophobicContact CD1-CB 3.97Å
458	Y	90.5	Very high	84.4	Confident	16 Å²	16	69.8 Å²	69.8	6%	0.063	39%	0.387	C	S	.	.	S	Bend	trans	-148.7	168.2	-178.9	48.3	-103.9	0	0	0	112.8	V331 M336 T418 C456 L460	V331-Y458 HydrophobicContact CG1-CD1 3.76Å; V331-Y458 HydrophobicContact CG1-CD2 3.91Å; V331-Y458 HydrophobicContact CG1-CE1 3.35Å; V331-Y458 HydrophobicContact CG1-CE2 3.52Å; V331-Y458 HydrophobicContact CG1-CG 4.04Å; V331-Y458 HydrophobicContact CG2-CE1 4.45Å; M336-Y458 HydrophobicContact CE-CD1 3.73Å; M336-Y458 HydrophobicContact CE-CE1 4.47Å; M336-Y458 HydrophobicContact CE-CG 4.11Å; T418-Y458 WeakPolarHBondContact O-CD1 3.46Å; C456-Y458 VanDerWaalsContact CB-O 3.24Å; C456-Y458 WeakPolarHBondContact CB-O 3.35Å; C456-Y458 PolarHBondContact O-N 3.29Å; Y458-L460 HydrophobicContact CD2-CD2 4.21Å; Y458-L460 HydrophobicContact CE2-CD2 3.8Å
459	A	87.7	Confident	83.8	Confident	28 Å²	28	73.6 Å²	73.6	23%	0.231	42%	0.418	C	S	.	.			trans	-78.3	128.4	173.7	0	0	0	0	0	111.3	S333 G334 N335 F466	S333-A459 PolarHBondContact OG-O 3.25Å; G334-A459 PolarHBondContact N-O 2.95Å; N335-A459 HydrophobicContact CB-CB 4.22Å; N335-A459 VanDerWaalsContact OD1-CB 3.29Å; N335-A459 WeakPolarHBondContact OD1-CB 3.36Å; N335-A459 PolarHBondContact OD1-N 2.98Å; A459-F466 HydrophobicContact CB-CD2 4.28Å
460	L	84.9	Confident	83.3	Confident	74 Å²	74	73 Å²	73	39%	0.387	43%	0.425	S	S	.	.	B	Isolated β-bridge	trans	-76.1	130.7	169.8	-53.1	178.5	0	0	0	108.8	I395 Y458	I395-L460 HydrophobicContact CG2-CD1 3.76Å; I395-L460 HydrophobicContact CG2-CD2 3.74Å; I395-L460 HydrophobicContact CG2-CG 4.43Å; Y458-L460 HydrophobicContact CD2-CD2 4.21Å; Y458-L460 HydrophobicContact CE2-CD2 3.8Å
461	G	80.8	Confident	83.1	Confident	40 Å²	40	72.1 Å²	72.1	41%	0.412	42%	0.423	S	S	.	.	S	Bend	trans	176.8	-158.3	-176.6	0	0	0	0	0	110.6
462	N	86.7	Confident	83.2	Confident	116 Å²	116	70.8 Å²	70.8	62%	0.62	42%	0.422	S	S	*	.	S	Bend	trans	-84.9	158.8	162.5	-55.2	-90.5	0	0	0	109.5	G334 C464 E465	G334-N462 WeakPolarHBondContact CA-O 3.5Å; G334-N462 PolarHBondContact N-O 3.45Å; N462-C464 PolarHBondContact O-N 2.88Å; N462-E465 PolarHBondContact N-OE2 3.46Å; N462-E465 PolarHBondContact ND2-OE2 3.18Å; N462-E465 WeakPolarHBondContact O-CB 3.04Å; N462-E465 PolarHBondContact O-N 2.86Å
463	E	90.4	Very high	84.2	Confident	117 Å²	117	68 Å²	68	55%	0.547	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	131.3	173.8	-73.3	167.2	-145.3	0	0	111.9	S333 E465	S333-E463 WeakPolarHBondContact O-CA 3.48Å; E463-E465 PolarHBondContact O-N 2.92Å; E463-E465 VanDerWaalsContact O-N 3.08Å
464	C	89	Confident	85.4	Confident	19 Å²	19	68.9 Å²	68.9	13%	0.128	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	12.5	175.5	-57.9	0	0	0	0	117.2	S333 G334 N462 F466 C467 C473	S333-C464 PolarHBondContact O-N 3.5Å; S333-C464 VanDerWaalsContact O-N 3.14Å; G334-C464 CarbonylContact O-C 3.54Å; G334-C464 VanDerWaalsContact O-C 3.29Å; N462-C464 PolarHBondContact O-N 2.88Å; C464-F466 PolarHBondContact O-N 2.97Å; C464-C467 VanDerWaalsContact CB-SG 3.53Å; C464-C467 PolarHBondContact O-N 3.4Å; C464-C467 PolarHBondContact O-SG 3.14Å; C464-C467 VanDerWaalsContact O-SG 3.38Å; C464-C473 HydrophobicContact CB-CB 3.43Å; C464-C473 VanDerWaalsContact CB-CB 3.43Å; C464-C473 WeakPolarHBondContact CB-SG 3.43Å; C464-C473 VanDerWaalsContact SG-CA 3.54Å; C464-C473 WeakPolarHBondContact SG-CB 3.07Å; C464-C473 CovalentContact SG-SG 2.03Å; C464-C473 PolarHBondContact SG-SG 3.28Å
465	E	90.3	Very high	86.5	Confident	97 Å²	97	74.5 Å²	74.5	45%	0.453	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-23.4	-175.9	-168	174.7	153.9	0	0	114.8	G334 N462 E463	G334-E465 PolarHBondContact O-N 3.04Å; N462-E465 PolarHBondContact N-OE2 3.46Å; N462-E465 PolarHBondContact ND2-OE2 3.18Å; N462-E465 WeakPolarHBondContact O-CB 3.04Å; N462-E465 PolarHBondContact O-N 2.86Å; E463-E465 PolarHBondContact O-N 2.92Å; E463-E465 VanDerWaalsContact O-N 3.08Å
466	F	85.7	Confident	87.1	Confident	112 Å²	112	65.6 Å²	65.6	49%	0.491	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.2	33.6	-173.2	-48.6	-63.9	0	0	0	113.6	G334 N335 A459 C464	G334-F466 CarbonylContact O-C 3.55Å; G334-F466 WeakPolarHBondContact O-CA 3.31Å; G334-F466 PolarHBondContact O-N 2.69Å; N335-F466 HydrophobicContact CB-CB 4.29Å; A459-F466 HydrophobicContact CB-CD2 4.28Å; C464-F466 PolarHBondContact O-N 2.97Å
467	C	88.4	Confident	87.4	Confident	38 Å²	38	64.8 Å²	64.8	26%	0.257	37%	0.374	S	S	.	.			trans	-61.4	141.6	174.5	-62	0	0	0	0	112.9	C464 F471 C478	C464-C467 VanDerWaalsContact CB-SG 3.53Å; C464-C467 PolarHBondContact O-N 3.4Å; C464-C467 PolarHBondContact O-SG 3.14Å; C464-C467 VanDerWaalsContact O-SG 3.38Å; C467-F471 HydrophobicContact CB-CB 4.41Å; C467-C478 WeakPolarHBondContact CA-SG 3.18Å; C467-C478 HydrophobicContact CB-CB 3.76Å; C467-C478 WeakPolarHBondContact CB-SG 3.43Å; C467-C478 WeakPolarHBondContact SG-CA 3.1Å; C467-C478 WeakPolarHBondContact SG-CB 3.38Å; C467-C478 CovalentContact SG-SG 2.04Å; C467-C478 PolarHBondContact SG-SG 3.49Å
468	S	84.2	Confident	87.6	Confident	58 Å²	58	64.9 Å²	64.9	41%	0.406	38%	0.375	S	S	.	.			trans	-60.4	147.6	170.5	-68.6	0	0	0	0	111.2	D470 F471	S468-D470 PolarHBondContact O-N 3.48Å; S468-F471 WeakPolarHBondContact O-CB 3.11Å; S468-F471 PolarHBondContact O-N 3.07Å
469	A	80.4	Confident	87.6	Confident	109 Å²	109	64.3 Å²	64.3	90%	0.901	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-22	-168.4	0	0	0	0	0	116.3
470	D	80.5	Confident	87.4	Confident	122 Å²	122	69.1 Å²	69.1	65%	0.652	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	5.8	177.2	-54.8	-44.7	0	0	0	113.8	S468 P481	S468-D470 PolarHBondContact O-N 3.48Å; D470-P481 WeakPolarHBondContact O-CD 3.42Å
471	F	85.7	Confident	86.5	Confident	49 Å²	49	69.6 Å²	69.6	22%	0.215	40%	0.396	C	S	.	.			trans	-119.3	132.4	-172.9	-65.8	-120.4	0	0	0	110.4	E337 C467 S468 C478 C479 K480	E337-F471 HydrophobicContact CG-CE1 4.34Å; C467-F471 HydrophobicContact CB-CB 4.41Å; S468-F471 WeakPolarHBondContact O-CB 3.11Å; S468-F471 PolarHBondContact O-N 3.07Å; F471-C478 HydrophobicContact CB-CB 4.31Å; F471-C478 HydrophobicContact CD1-CB 4.44Å; F471-C478 WeakPolarHBondContact CD1-O 3.19Å; F471-C479 CarbonylContact C-O 3.54Å; F471-C479 WeakPolarHBondContact CA-O 3.35Å; F471-K480 HydrophobicContact CD1-CG 3.8Å; F471-K480 VanDerWaalsContact CD1-N 3.33Å; F471-K480 HydrophobicContact CD2-CG 4Å; F471-K480 HydrophobicContact CE1-CG 3.67Å; F471-K480 HydrophobicContact CE2-CD 4.34Å; F471-K480 VanDerWaalsContact CE2-CE 3.45Å; F471-K480 HydrophobicContact CE2-CG 3.86Å; F471-K480 HydrophobicContact CG-CG 3.99Å; F471-K480 HydrophobicContact CZ-CD 4.19Å; F471-K480 VanDerWaalsContact CZ-CE 3.4Å; F471-K480 HydrophobicContact CZ-CG 3.71Å
472	G	87.1	Confident	85.2	Confident	25 Å²	25	72.2 Å²	72.2	26%	0.258	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	165.1	169.3	0	0	0	0	0	111.6	F474 C478 C479	G472-F474 WeakPolarHBondContact O-CD2 3.5Å; G472-C478 WeakPolarHBondContact O-CA 3.44Å; G472-C479 PolarHBondContact N-O 2.58Å; G472-C479 PolarHBondContact O-N 3.48Å
473	C	90.6	Very high	83	Confident	70 Å²	70	70.4 Å²	70.4	47%	0.473	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	127.8	171	-170.6	0	0	0	0	110.8	C464 L477	C464-C473 HydrophobicContact CB-CB 3.43Å; C464-C473 VanDerWaalsContact CB-CB 3.43Å; C464-C473 WeakPolarHBondContact CB-SG 3.43Å; C464-C473 VanDerWaalsContact SG-CA 3.54Å; C464-C473 WeakPolarHBondContact SG-CB 3.07Å; C464-C473 CovalentContact SG-SG 2.03Å; C464-C473 PolarHBondContact SG-SG 3.28Å; C473-L477 CarbonylContact C-O 3.55Å; C473-L477 WeakPolarHBondContact CA-O 3.41Å
474	F	89.2	Confident	80.3	Confident	100 Å²	100	69.9 Å²	69.9	44%	0.439	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	119.3	175.2	-59.6	-92.2	0	0	0	108.1	G472 G476 L477 C479 P481	G472-F474 WeakPolarHBondContact O-CD2 3.5Å; F474-G476 VanDerWaalsContact C-N 3.32Å; F474-G476 PolarHBondContact O-N 3.26Å; F474-L477 PolarHBondContact N-O 3.01Å; F474-L477 WeakPolarHBondContact O-CA 3.42Å; F474-L477 WeakPolarHBondContact O-CB 3.17Å; F474-L477 PolarHBondContact O-N 3.31Å; F474-C479 HydrophobicContact CD2-CB 3.83Å; F474-C479 HydrophobicContact CE2-CB 4.49Å; F474-P481 HydrophobicContact CE2-CB 4.46Å; F474-P481 HydrophobicContact CZ-CB 4.31Å
475	D	89.2	Confident	77.4	Confident	160 Å²	160	75.6 Å²	75.6	86%	0.856	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.2	48.1	178.3	-57.7	-20.4	0	0	0	114.9	G329 L477	G329-D475 WeakPolarHBondContact CA-O 3.33Å; D475-L477 VanDerWaalsContact C-N 3.3Å; D475-L477 PolarHBondContact O-N 2.95Å
476	G	91	Very high	74.8	Confident	3 Å²	3	78.1 Å²	78.1	3%	0.031	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	2.3	-179.8	0	0	0	0	0	115.2	F474	F474-G476 VanDerWaalsContact C-N 3.32Å; F474-G476 PolarHBondContact O-N 3.26Å
477	L	93.2	Very high	72.3	Confident	8 Å²	8	82.4 Å²	82.4	4%	0.042	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	139.1	-178.2	-60.4	175.1	0	0	0	113.1	N325 R328 M336 C473 F474 D475 C479	N325-L477 HydrophobicContact CB-CD1 3.77Å; R328-L477 HydrophobicContact CB-CD2 3.83Å; M336-L477 HydrophobicContact CB-CD2 3.92Å; M336-L477 HydrophobicContact CG-CD2 3.36Å; M336-L477 CarbonylContact O-C 3.56Å; M336-L477 WeakPolarHBondContact O-CA 3.38Å; C473-L477 CarbonylContact C-O 3.55Å; C473-L477 WeakPolarHBondContact CA-O 3.41Å; F474-L477 PolarHBondContact N-O 3.01Å; F474-L477 WeakPolarHBondContact O-CA 3.42Å; F474-L477 WeakPolarHBondContact O-CB 3.17Å; F474-L477 PolarHBondContact O-N 3.31Å; D475-L477 VanDerWaalsContact C-N 3.3Å; D475-L477 PolarHBondContact O-N 2.95Å; L477-C479 WeakPolarHBondContact CB-SG 3.44Å; L477-C479 PolarHBondContact O-N 3.42Å
478	C	93.2	Very high	69.8	Low	1 Å²	1	86.4 Å²	86.4	1%	0.007	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	103.7	161.5	-58.8	0	0	0	0	109.5	M336 E337 C338 C467 F471 G472	M336-C478 PolarHBondContact O-N 3.44Å; E337-C478 CarbonylContact C-O 3.33Å; E337-C478 WeakPolarHBondContact CA-O 3.35Å; E337-C478 HydrophobicContact CG-CB 4.08Å; C338-C478 PolarHBondContact N-O 3.47Å; C467-C478 WeakPolarHBondContact CA-SG 3.18Å; C467-C478 HydrophobicContact CB-CB 3.76Å; C467-C478 WeakPolarHBondContact CB-SG 3.43Å; C467-C478 WeakPolarHBondContact SG-CA 3.1Å; C467-C478 WeakPolarHBondContact SG-CB 3.38Å; C467-C478 CovalentContact SG-SG 2.04Å; C467-C478 PolarHBondContact SG-SG 3.49Å; F471-C478 HydrophobicContact CB-CB 4.31Å; F471-C478 HydrophobicContact CD1-CB 4.44Å; F471-C478 WeakPolarHBondContact CD1-O 3.19Å; G472-C478 WeakPolarHBondContact O-CA 3.44Å
479	C	90.5	Very high	67.5	Low	5 Å²	5	89.1 Å²	89.1	3%	0.034	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.9	179.3	-48.6	0	0	0	0	109.5	C338 F471 G472 F474 L477	C338-C479 HydrophobicContact CB-CB 3.65Å; C338-C479 WeakPolarHBondContact CB-SG 3.28Å; C338-C479 WeakPolarHBondContact SG-CB 3.3Å; C338-C479 CovalentContact SG-SG 2.03Å; C338-C479 PolarHBondContact SG-SG 2.86Å; F471-C479 CarbonylContact C-O 3.54Å; F471-C479 WeakPolarHBondContact CA-O 3.35Å; G472-C479 PolarHBondContact N-O 2.58Å; G472-C479 PolarHBondContact O-N 3.48Å; F474-C479 HydrophobicContact CD2-CB 3.83Å; F474-C479 HydrophobicContact CE2-CB 4.49Å; L477-C479 WeakPolarHBondContact CB-SG 3.44Å; L477-C479 PolarHBondContact O-N 3.42Å
480	K	84.5	Confident	65.9	Low	129 Å²	129	89.3 Å²	89.3	56%	0.561	48%	0.479	S	S	*	.			trans	-56.7	131.6	166.2	-68.1	-168.1	176.6	-172.8	0	107.1	F471 T482	F471-K480 HydrophobicContact CD1-CG 3.8Å; F471-K480 VanDerWaalsContact CD1-N 3.33Å; F471-K480 HydrophobicContact CD2-CG 4Å; F471-K480 HydrophobicContact CE1-CG 3.67Å; F471-K480 HydrophobicContact CE2-CD 4.34Å; F471-K480 VanDerWaalsContact CE2-CE 3.45Å; F471-K480 HydrophobicContact CE2-CG 3.86Å; F471-K480 HydrophobicContact CG-CG 3.99Å; F471-K480 HydrophobicContact CZ-CD 4.19Å; F471-K480 VanDerWaalsContact CZ-CE 3.4Å; F471-K480 HydrophobicContact CZ-CG 3.71Å; K480-T482 PolarHBondContact O-N 2.95Å
481	P	65.2	Low	64.6	Low	83 Å²	83	85.2 Å²	85.2	54%	0.539	47%	0.466	S	S	.	.			trans	-61.9	105.3	-174.2	24.4	-33.2	0	0	0	109.2	D470 F474 E483	D470-P481 WeakPolarHBondContact O-CD 3.42Å; F474-P481 HydrophobicContact CE2-CB 4.46Å; F474-P481 HydrophobicContact CZ-CB 4.31Å; P481-E483 PolarHBondContact O-N 2.72Å
482	T	54.7	Low	63.4	Low	95 Å²	95	89.9 Å²	89.9	58%	0.583	49%	0.493	S	S	*	.			trans	-65.3	105.8	179.3	-28.3	0	0	0	0	107.6	K480 P484	K480-T482 PolarHBondContact O-N 2.95Å; T482-P484 VanDerWaalsContact O-N 3.08Å
483	E	39.2	Very low	62.4	Low	79 Å²	79	96.6 Å²	96.6	37%	0.369	52%	0.515	S	S	.	.			trans	-51.9	119.2	161	-85	-166.5	151.3	0	0	106.8	P481 K488	P481-E483 PolarHBondContact O-N 2.72Å; E483-K488 IonicContact OE2-NZ 3.67Å; E483-K488 PolarHBondContact OE2-NZ 3.21Å
484	P	34.2	Very low	61.5	Low	105 Å²	105	94.3 Å²	94.3	68%	0.682	50%	0.499	S	S	*	.			trans	-56.8	142.9	-154.5	19	-33.6	0	0	0	112.6	T482 Q486	T482-P484 VanDerWaalsContact O-N 3.08Å; P484-Q486 PolarHBondContact O-N 3.12Å
485	D	29.4	Very low	60.6	Low	140 Å²	140	98.2 Å²	98.2	75%	0.749	52%	0.519	S	S	*	.			trans	-68.3	67.9	-177.6	-81.1	-63.1	0	0	0	113.6
486	Q	34.6	Very low	60.1	Low	150 Å²	150	96.9 Å²	96.9	70%	0.701	51%	0.508	S	S	*	.	S	Bend	trans	-58.7	136.4	135.2	-61	-175.9	0.3	0	0	107.5	P484 K488	P484-Q486 PolarHBondContact O-N 3.12Å; Q486-K488 VanDerWaalsContact C-N 3.33Å; Q486-K488 PolarHBondContact O-N 2.85Å
487	K	34.1	Very low	59.9	Low	201 Å²	201	99.2 Å²	99.2	87%	0.874	52%	0.519	S	S	*	.			trans	-54.2	98.4	166	-74	175	173.1	175.5	0	108.7	T489	K487-T489 PolarHBondContact O-N 2.71Å
488	K	36	Very low	59.9	Low	122 Å²	122	100.9 Å²	100.9	53%	0.53	53%	0.53	S	S	.	.			trans	-74.3	70.4	-174.1	-85.5	173.5	172.3	174.5	0	111.5	E483 Q486 C490	E483-K488 IonicContact OE2-NZ 3.67Å; E483-K488 PolarHBondContact OE2-NZ 3.21Å; Q486-K488 VanDerWaalsContact C-N 3.33Å; Q486-K488 PolarHBondContact O-N 2.85Å; K488-C490 PolarHBondContact O-N 2.98Å
489	T	35.6	Very low	59.8	Low	115 Å²	115	102.4 Å²	102.4	71%	0.706	54%	0.539	S	S	*	.			trans	-44.9	127.2	139.8	52.8	0	0	0	0	107.3	K487 G491	K487-T489 PolarHBondContact O-N 2.71Å; T489-G491 PolarHBondContact O-N 3.25Å; T489-G491 VanDerWaalsContact O-N 3.16Å
490	C	46.4	Very low	60	Low	113 Å²	113	102.9 Å²	102.9	76%	0.764	54%	0.541	S	S	*	.	S	Bend	trans	-48.1	125.4	-176.4	49.5	0	0	0	0	110.4	K488	K488-C490 PolarHBondContact O-N 2.98Å
491	G	52.7	Low	60.3	Low	36 Å²	36	98 Å²	98	37%	0.371	52%	0.52	S	S	.	.			trans	-55.1	148.7	-150.5	0	0	0	0	0	114.8	T489 K493	T489-G491 PolarHBondContact O-N 3.25Å; T489-G491 VanDerWaalsContact O-N 3.16Å; G491-K493 PolarHBondContact O-N 2.71Å
492	N	60.3	Low	61.6	Low	148 Å²	148	98.1 Å²	98.1	79%	0.791	51%	0.51	S	S	*	.			trans	-39.6	128.2	-179.5	-76.9	-46.8	0	0	0	112	P494	N492-P494 VanDerWaalsContact O-N 3.16Å
493	K	66.6	Low	63.3	Low	166 Å²	166	93.6 Å²	93.6	72%	0.722	48%	0.482	S	S	*	.			trans	-37.3	121.3	175	175.2	-157.5	168.3	-165.3	0	109.8	G491 E495 L497	G491-K493 PolarHBondContact O-N 2.71Å; K493-E495 PolarHBondContact O-N 3.36Å; K493-L497 HydrophobicContact CD-CD1 4.41Å; K493-L497 HydrophobicContact CG-CD1 4.14Å
494	P	72.7	Confident	65.8	Low	21 Å²	21	92.9 Å²	92.9	14%	0.136	48%	0.476	C	S	.	.			trans	-49	126.8	-174.6	-31.3	35.1	0	0	0	112.4	N492 Q496 L497	N492-P494 VanDerWaalsContact O-N 3.16Å; P494-Q496 VanDerWaalsContact C-N 3.26Å; P494-Q496 PolarHBondContact O-N 2.8Å; P494-L497 HydrophobicContact CB-CD2 3.82Å; P494-L497 HydrophobicContact CB-CG 4.48Å; P494-L497 HydrophobicContact CG-CD2 4.2Å; P494-L497 WeakPolarHBondContact O-CG 3.48Å
495	E	69.8	Low	68.4	Low	182 Å²	182	89.4 Å²	89.4	85%	0.85	45%	0.451	S	S	*	.	S	Bend	trans	-59.2	-37.6	-169.9	-58.7	-175.4	152.3	0	0	113	K493	K493-E495 PolarHBondContact O-N 3.36Å
496	Q	77.7	Confident	71	Confident	133 Å²	133	88.7 Å²	88.7	62%	0.621	44%	0.443	S	S	*	.	S	Bend	trans	-109.5	85.5	179.8	-62.9	-177.4	5.2	0	0	109.7	P494 P539	P494-Q496 VanDerWaalsContact C-N 3.26Å; P494-Q496 PolarHBondContact O-N 2.8Å; Q496-P539 WeakPolarHBondContact O-CD 3.38Å
497	L	87.4	Confident	73.4	Confident	51 Å²	51	86.6 Å²	86.6	27%	0.267	44%	0.442	S	S	.	.			trans	-91.7	141.3	166.3	-61.7	176.8	0	0	0	111	K493 P494 Y536 I537	K493-L497 HydrophobicContact CD-CD1 4.41Å; K493-L497 HydrophobicContact CG-CD1 4.14Å; P494-L497 HydrophobicContact CB-CD2 3.82Å; P494-L497 HydrophobicContact CB-CG 4.48Å; P494-L497 HydrophobicContact CG-CD2 4.2Å; P494-L497 WeakPolarHBondContact O-CG 3.48Å; L497-Y536 HydrophobicContact CB-CD1 4.43Å; L497-I537 WeakPolarHBondContact CA-O 3.22Å
498	V	92.2	Very high	75.8	Confident	44 Å²	44	81.7 Å²	81.7	27%	0.267	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	147.4	170.8	-66.7	0	0	0	0	110.6	L500 T515 Y536 I537 P539	V498-L500 PolarHBondContact O-N 2.85Å; V498-T515 HydrophobicContact CG2-CG2 3.62Å; V498-Y536 WeakPolarHBondContact O-CA 3.34Å; V498-I537 HydrophobicContact CG2-CG2 3.96Å; V498-I537 WeakPolarHBondContact CG2-O 3.42Å; V498-I537 PolarHBondContact N-O 3.36Å; V498-I537 PolarHBondContact O-N 2.97Å; V498-P539 HydrophobicContact CG1-CB 4.12Å; V498-P539 HydrophobicContact CG1-CG 4.08Å; V498-P539 HydrophobicContact CG2-CB 3.97Å; V498-P539 HydrophobicContact CG2-CG 4.44Å
499	P	92.3	Very high	78.1	Confident	32 Å²	32	84.2 Å²	84.2	21%	0.208	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	131	174.4	28.1	-34.6	0	0	0	110.8	Y501 T533 Y536	P499-Y501 HydrophobicContact CB-CE1 3.9Å; P499-Y501 HydrophobicContact CG-CE1 3.99Å; P499-Y501 HydrophobicContact CG-CE2 4.11Å; P499-Y501 VanDerWaalsContact CG-OH 3.29Å; P499-Y501 WeakPolarHBondContact CG-OH 3.44Å; P499-T533 HydrophobicContact CB-CG2 3.7Å; P499-Y536 HydrophobicContact CB-CD1 4.36Å; P499-Y536 HydrophobicContact CB-CE1 4.05Å
500	L	93.7	Very high	80.4	Confident	15 Å²	15	80.3 Å²	80.3	8%	0.079	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	110.1	169.4	-176.8	62.6	0	0	0	108.4	V498 L513 T515 T533 L534 G535 I537 L551 V585	V498-L500 PolarHBondContact O-N 2.85Å; L500-L513 HydrophobicContact CD1-CB 4.16Å; L500-T515 HydrophobicContact CD1-CG2 4Å; L500-T533 CarbonylContact O-C 3.55Å; L500-L534 HydrophobicContact CD2-CD2 4.3Å; L500-L534 PolarHBondContact O-N 2.82Å; L500-G535 PolarHBondContact N-O 2.03Å; L500-I537 HydrophobicContact CB-CG2 4.13Å; L500-L551 HydrophobicContact CD2-CD2 4.18Å; L500-V585 HydrophobicContact CD1-CG1 3.65Å
501	Y	92.2	Very high	82.4	Confident	26 Å²	26	79.1 Å²	79.1	10%	0.102	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	141.7	179.6	-54.9	-65.5	0	0	0	111.3	P499 L513 T514 V517 R520	P499-Y501 HydrophobicContact CB-CE1 3.9Å; P499-Y501 HydrophobicContact CG-CE1 3.99Å; P499-Y501 HydrophobicContact CG-CE2 4.11Å; P499-Y501 VanDerWaalsContact CG-OH 3.29Å; P499-Y501 WeakPolarHBondContact CG-OH 3.44Å; Y501-L513 WeakPolarHBondContact O-CA 3.43Å; Y501-T514 WeakPolarHBondContact CB-O 3.06Å; Y501-T514 WeakPolarHBondContact CD2-O 3.47Å; Y501-T514 PolarHBondContact N-O 3.28Å; Y501-T514 PolarHBondContact O-N 3.45Å; Y501-V517 HydrophobicContact CE2-CG2 4.17Å; Y501-R520 HydrophobicContact CD2-CB 4.38Å; Y501-R520 HydrophobicContact CD2-CG 4.46Å; Y501-R520 HydrophobicContact CG-CG 4.49Å
502	R	91.7	Very high	84.2	Confident	87 Å²	87	77.5 Å²	77.5	33%	0.328	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	123.4	173	174.9	-179.8	59.8	179.2	-2.4	109.7	M511 L513 F531 G532 L534	R502-M511 VanDerWaalsContact CD-SD 3.51Å; R502-M511 HydrophobicContact CG-CG 3.92Å; R502-M511 HydrophobicContact CG-SD 3.69Å; R502-L513 HydrophobicContact CB-CD2 3.83Å; R502-L513 HydrophobicContact CG-CD2 3.94Å; R502-F531 HydrophobicContact CB-CB 4.49Å; R502-F531 HydrophobicContact CG-CB 4.25Å; R502-F531 WeakPolarHBondContact O-CA 3.47Å; R502-F531 WeakPolarHBondContact O-CB 3.18Å; R502-F531 PolarHBondContact O-N 3.16Å; R502-G532 PolarHBondContact N-O 2.83Å; R502-L534 HydrophobicContact CB-CB 4.18Å
503	L	91.6	Very high	85.8	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	146.1	177.1	-62.8	100	0	0	0	110.4	M511 V512 T514 R520 L523 Y528 S529 D530	L503-M511 CarbonylContact O-C 3.57Å; L503-M511 WeakPolarHBondContact O-CA 3.4Å; L503-V512 PolarHBondContact N-O 3.03Å; L503-V512 PolarHBondContact O-N 3.06Å; L503-T514 HydrophobicContact CD1-CG2 4.09Å; L503-R520 HydrophobicContact CD1-CB 4.49Å; L503-R520 HydrophobicContact CD1-CG 4.3Å; L503-R520 HydrophobicContact CD2-CG 4.14Å; L503-L523 HydrophobicContact CD1-CD1 4.28Å; L503-L523 HydrophobicContact CD2-CB 3.9Å; L503-L523 HydrophobicContact CD2-CD1 4.49Å; L503-Y528 HydrophobicContact CB-CD1 4.16Å; L503-S529 CarbonylContact C-O 3.57Å; L503-S529 WeakPolarHBondContact CA-O 3.45Å; L503-D530 HydrophobicContact CD2-CB 4.46Å
504	Y	90.1	Very high	87	Confident	63 Å²	63	63.5 Å²	63.5	25%	0.247	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	126.2	-175.2	-178.6	-107.8	0	0	0	112.6	Q506 K509 R510 M511 S529 F531	Y504-Q506 HydrophobicContact CE1-CB 4.41Å; Y504-K509 VanDerWaalsContact CE2-C 3.47Å; Y504-K509 WeakPolarHBondContact OH-CA 3.41Å; Y504-R510 CarbonylContact C-O 3.51Å; Y504-R510 VanDerWaalsContact CA-O 3.27Å; Y504-R510 WeakPolarHBondContact CA-O 3.49Å; Y504-R510 WeakPolarHBondContact CD2-O 3.47Å; Y504-M511 HydrophobicContact CD2-CB 4.35Å; Y504-S529 PolarHBondContact N-O 3.38Å; Y504-S529 PolarHBondContact O-N 2.81Å; Y504-F531 HydrophobicContact CD1-CE2 4.11Å; Y504-F531 HydrophobicContact CD1-CZ 4.29Å; Y504-F531 HydrophobicContact CG-CE2 4.29Å
505	H	90.1	Very high	88	Confident	32 Å²	32	64.4 Å²	64.4	15%	0.148	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	91.5	178.3	-173.6	-100.8	0	0	0	110.6	P507 K508 K509 R510 L526 Y528	H505-P507 VanDerWaalsContact C-N 3.3Å; H505-P507 VanDerWaalsContact O-N 3.12Å; H505-K508 VanDerWaalsContact ND1-CB 3.31Å; H505-K508 WeakPolarHBondContact ND1-CB 3.08Å; H505-K508 VanDerWaalsContact ND1-CG 3.35Å; H505-K508 WeakPolarHBondContact ND1-CG 3.37Å; H505-K508 PolarHBondContact ND1-N 3Å; H505-K508 PolarHBondContact O-N 2.89Å; H505-K509 PolarHBondContact O-N 2.97Å; H505-R510 PolarHBondContact N-O 2.95Å; H505-R510 PolarHBondContact O-N 2.9Å; H505-L526 PolarHBondContact CD2-O 3.46Å; H505-Y528 HydrophobicContact CB-CD1 3.66Å; H505-Y528 HydrophobicContact CB-CD2 3.96Å; H505-Y528 HydrophobicContact CB-CE1 3.55Å; H505-Y528 HydrophobicContact CB-CE2 3.86Å; H505-Y528 HydrophobicContact CB-CG 3.85Å; H505-Y528 AromaticContact CD2-CD2 3.9Å; H505-Y528 AromaticContact CD2-CE2 3.98Å
506	Q	83.2	Confident	89.1	Confident	125 Å²	125	58 Å²	58	58%	0.584	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-44.4	-44.3	-177.3	-162.1	85.2	19.5	0	0	113.9	Y504 K508 K509	Y504-Q506 HydrophobicContact CE1-CB 4.41Å; Q506-K508 PolarHBondContact O-N 2.68Å; Q506-K509 PolarHBondContact O-N 3Å
507	P	85.5	Confident	89.7	Confident	107 Å²	107	56.2 Å²	56.2	70%	0.695	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-71.2	-23.3	-178.7	-18.5	32.4	0	0	0	115.5	H505	H505-P507 VanDerWaalsContact C-N 3.3Å; H505-P507 VanDerWaalsContact O-N 3.12Å
508	K	83.4	Confident	90	Very high	98 Å²	98	57.3 Å²	57.3	43%	0.426	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-101.3	-6	176.4	-73.9	178.4	164.7	-171.7	0	112.9	H505 Q506 R510 D560	H505-K508 VanDerWaalsContact ND1-CB 3.31Å; H505-K508 WeakPolarHBondContact ND1-CB 3.08Å; H505-K508 VanDerWaalsContact ND1-CG 3.35Å; H505-K508 WeakPolarHBondContact ND1-CG 3.37Å; H505-K508 PolarHBondContact ND1-N 3Å; H505-K508 PolarHBondContact O-N 2.89Å; Q506-K508 PolarHBondContact O-N 2.68Å; K508-R510 HydrophobicContact CB-CB 4.32Å; K508-R510 HydrophobicContact CB-CG 3.96Å; K508-R510 PolarHBondContact O-N 2.67Å; K508-D560 IonicContact NZ-OD2 2.75Å; K508-D560 PolarHBondContact NZ-OD2 2.71Å
509	K	84.8	Confident	89.9	Confident	175 Å²	175	58.1 Å²	58.1	76%	0.761	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	30	-167.7	-55.9	-178.1	-179.9	178.6	0	114.6	Y504 H505 Q506	Y504-K509 VanDerWaalsContact CE2-C 3.47Å; Y504-K509 WeakPolarHBondContact OH-CA 3.41Å; H505-K509 PolarHBondContact O-N 2.97Å; Q506-K509 PolarHBondContact O-N 3Å
510	R	84.1	Confident	89.9	Confident	32 Å²	32	60 Å²	60	12%	0.121	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	137.7	-174.1	-74.7	176.6	-171	171.5	-2.4	113.8	Y504 H505 K508 S559 D560 D561	Y504-R510 CarbonylContact C-O 3.51Å; Y504-R510 VanDerWaalsContact CA-O 3.27Å; Y504-R510 WeakPolarHBondContact CA-O 3.49Å; Y504-R510 WeakPolarHBondContact CD2-O 3.47Å; H505-R510 PolarHBondContact N-O 2.95Å; H505-R510 PolarHBondContact O-N 2.9Å; K508-R510 HydrophobicContact CB-CB 4.32Å; K508-R510 HydrophobicContact CB-CG 3.96Å; K508-R510 PolarHBondContact O-N 2.67Å; R510-S559 PolarHBondContact NH1-O 2.85Å; R510-S559 PolarHBondContact NH2-O 3.38Å; R510-D560 VanDerWaalsContact CD-O 3.23Å; R510-D560 WeakPolarHBondContact CD-O 3.34Å; R510-D560 VanDerWaalsContact CZ-C 3.45Å; R510-D560 PolarHBondContact NE-O 3.01Å; R510-D560 PolarHBondContact NH1-O 3.29Å; R510-D560 IonicContact NH1-OD2 2.79Å; R510-D560 PolarHBondContact NH1-OD2 2.74Å; R510-D561 IonicContact CZ-OD1 3.83Å; R510-D561 IonicContact NE-OD1 2.69Å; R510-D561 PolarHBondContact NE-OD1 2.73Å; R510-D561 VanDerWaalsContact NH2-CG 3.34Å; R510-D561 IonicContact NH2-OD1 3.14Å; R510-D561 PolarHBondContact NH2-OD1 3.46Å; R510-D561 IonicContact NH2-OD2 3.99Å; R510-D561 PolarHBondContact NH2-OD2 2.71Å
511	M	87.8	Confident	89.8	Confident	89 Å²	89	61.5 Å²	61.5	44%	0.438	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	139.9	169.5	-175.5	171.2	65.5	0	0	110.3	R502 L503 Y504 L513	R502-M511 VanDerWaalsContact CD-SD 3.51Å; R502-M511 HydrophobicContact CG-CG 3.92Å; R502-M511 HydrophobicContact CG-SD 3.69Å; L503-M511 CarbonylContact O-C 3.57Å; L503-M511 WeakPolarHBondContact O-CA 3.4Å; Y504-M511 HydrophobicContact CD2-CB 4.35Å; M511-L513 HydrophobicContact CG-CD2 4.24Å; M511-L513 HydrophobicContact SD-CD2 4.2Å
512	V	90.7	Very high	89.8	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.006	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	133.9	170.7	173.8	0	0	0	0	108.6	L503 L523 Y528 Y562	L503-V512 PolarHBondContact N-O 3.03Å; L503-V512 PolarHBondContact O-N 3.06Å; V512-L523 HydrophobicContact CB-CD1 4.2Å; V512-L523 HydrophobicContact CG1-CD1 3.73Å; V512-Y528 HydrophobicContact CB-CE1 4.32Å; V512-Y528 HydrophobicContact CG2-CE1 3.74Å; V512-Y562 HydrophobicContact CG2-CD2 4.14Å; V512-Y562 HydrophobicContact CG2-CE2 4.39Å; V512-Y562 HydrophobicContact CG2-CG 4.42Å
513	L	93.4	Very high	89.8	Confident	14 Å²	14	62.2 Å²	62.2	7%	0.073	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	133.9	174	-54.8	-176.8	0	0	0	109.4	L500 Y501 R502 M511 L534 Y564	L500-L513 HydrophobicContact CD1-CB 4.16Å; Y501-L513 WeakPolarHBondContact O-CA 3.43Å; R502-L513 HydrophobicContact CB-CD2 3.83Å; R502-L513 HydrophobicContact CG-CD2 3.94Å; M511-L513 HydrophobicContact CG-CD2 4.24Å; M511-L513 HydrophobicContact SD-CD2 4.2Å; L513-L534 HydrophobicContact CD1-CD2 4.1Å; L513-L534 HydrophobicContact CD2-CD2 3.77Å; L513-Y564 HydrophobicContact CB-CD1 4.41Å; L513-Y564 HydrophobicContact CB-CE1 3.97Å; L513-Y564 HydrophobicContact CB-CE2 4.12Å; L513-Y564 HydrophobicContact CD1-CD2 3.94Å; L513-Y564 HydrophobicContact CD1-CE2 4.25Å; L513-Y564 HydrophobicContact CD1-CG 4.1Å; L513-Y564 HydrophobicContact CG-CD2 4.11Å; L513-Y564 HydrophobicContact CG-CE2 3.89Å; L513-Y564 PolarHBondContact N-OH 3.38Å; L513-Y564 PolarHBondContact O-OH 3.47Å
514	T	92.7	Very high	89.7	Confident	7 Å²	7	64.9 Å²	64.9	4%	0.043	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	144.9	176.3	-164.5	0	0	0	0	113.7	Y501 L503 S516 R519 R520	Y501-T514 WeakPolarHBondContact CB-O 3.06Å; Y501-T514 WeakPolarHBondContact CD2-O 3.47Å; Y501-T514 PolarHBondContact N-O 3.28Å; Y501-T514 PolarHBondContact O-N 3.45Å; L503-T514 HydrophobicContact CD1-CG2 4.09Å; T514-S516 PolarHBondContact OG1-N 3.29Å; T514-R519 HydrophobicContact CG2-CB 4.31Å; T514-R520 HydrophobicContact CG2-CB 4.46Å
515	T	93.5	Very high	89.8	Confident	40 Å²	40	70.6 Å²	70.6	25%	0.245	37%	0.369	C	S	.	.	S	Bend	trans	-88.2	-12.6	168.6	47.5	0	0	0	0	112.4	V498 L500 V517 I537 V585	V498-T515 HydrophobicContact CG2-CG2 3.62Å; L500-T515 HydrophobicContact CD1-CG2 4Å; T515-V517 PolarHBondContact O-N 3.2Å; T515-I537 HydrophobicContact CG2-CG2 3.49Å; T515-I537 VanDerWaalsContact CG2-CG2 3.49Å; T515-V585 HydrophobicContact CG2-CG1 4.3Å; T515-V585 WeakPolarHBondContact CG2-O 3.44Å; T515-V585 PolarHBondContact OG1-O 3.39Å; T515-V585 VanDerWaalsContact OG1-O 3.06Å
516	S	92.2	Very high	89.8	Confident	48 Å²	48	74 Å²	74	34%	0.336	39%	0.388	S	S	.	.			trans	-82.7	114.5	-175.9	176.2	0	0	0	0	112.3	T514 A518 R519 R520	T514-S516 PolarHBondContact OG1-N 3.29Å; S516-A518 PolarHBondContact O-N 2.98Å; S516-A518 PolarHBondContact OG-N 3.15Å; S516-R519 PolarHBondContact O-N 3.01Å; S516-R519 PolarHBondContact OG-N 3.33Å; S516-R519 VanDerWaalsContact OG-N 3.17Å; S516-R520 WeakPolarHBondContact O-CB 3.43Å; S516-R520 PolarHBondContact O-N 2.87Å
517	V	91.3	Very high	90.2	Very high	95 Å²	95	70.4 Å²	70.4	58%	0.576	38%	0.384	S	S	*	.	H	α-helix	trans	-59.4	-33.5	172.9	-177.4	0	0	0	0	111.5	Y501 T515 A521	Y501-V517 HydrophobicContact CE2-CG2 4.17Å; T515-V517 PolarHBondContact O-N 3.2Å; V517-A521 WeakPolarHBondContact O-CB 3.3Å; V517-A521 PolarHBondContact O-N 3.1Å; V517-A521 VanDerWaalsContact O-N 3.1Å
518	A	92.8	Very high	90.5	Very high	74 Å²	74	66.3 Å²	66.3	61%	0.612	36%	0.355	S	S	*	.	H	α-helix	trans	-68.1	-48.5	175.8	0	0	0	0	0	111.7	S516 R520 A521 E522	S516-A518 PolarHBondContact O-N 2.98Å; S516-A518 PolarHBondContact OG-N 3.15Å; A518-R520 VanDerWaalsContact C-N 3.33Å; A518-R520 PolarHBondContact O-N 2.86Å; A518-A521 PolarHBondContact O-N 2.93Å; A518-E522 PolarHBondContact O-N 3.09Å
519	R	91.8	Very high	90.9	Very high	60 Å²	60	64.4 Å²	64.4	23%	0.226	35%	0.354	C	S	.	.	H	α-helix	trans	-65.2	-35.9	178.4	-167.3	174.1	175.6	-163.3	-7	111.6	T514 S516 E522 L523 E553	T514-R519 HydrophobicContact CG2-CB 4.31Å; S516-R519 PolarHBondContact O-N 3.01Å; S516-R519 PolarHBondContact OG-N 3.33Å; S516-R519 VanDerWaalsContact OG-N 3.17Å; R519-E522 PolarHBondContact O-N 3.36Å; R519-L523 HydrophobicContact CG-CD1 4.01Å; R519-L523 HydrophobicContact CG-CG 4.36Å; R519-L523 WeakPolarHBondContact O-CB 3.45Å; R519-L523 WeakPolarHBondContact O-CD1 3.41Å; R519-L523 WeakPolarHBondContact O-CG 3.42Å; R519-L523 PolarHBondContact O-N 3.33Å; R519-E553 IonicContact CZ-OE1 2.98Å; R519-E553 IonicContact CZ-OE2 3.93Å; R519-E553 IonicContact NH1-OE1 2.62Å; R519-E553 PolarHBondContact NH1-OE1 2.99Å; R519-E553 VanDerWaalsContact NH1-OE1 3.16Å; R519-E553 IonicContact NH1-OE2 2.82Å; R519-E553 PolarHBondContact NH1-OE2 3.43Å; R519-E553 IonicContact NH2-OE1 2.65Å; R519-E553 PolarHBondContact NH2-OE1 2.63Å; R519-E553 IonicContact NH2-OE2 3.16Å
520	R	91.7	Very high	91.1	Very high	71 Å²	71	59 Å²	59	27%	0.268	33%	0.333	S	S	.	.	H	α-helix	trans	-55.9	-52.7	169.4	-178.8	-173.6	-179.3	-164	-2.4	111.3	Y501 L503 T514 S516 A518 E522 L523 S524 D530	Y501-R520 HydrophobicContact CD2-CB 4.38Å; Y501-R520 HydrophobicContact CD2-CG 4.46Å; Y501-R520 HydrophobicContact CG-CG 4.49Å; L503-R520 HydrophobicContact CD1-CB 4.49Å; L503-R520 HydrophobicContact CD1-CG 4.3Å; L503-R520 HydrophobicContact CD2-CG 4.14Å; T514-R520 HydrophobicContact CG2-CB 4.46Å; S516-R520 WeakPolarHBondContact O-CB 3.43Å; S516-R520 PolarHBondContact O-N 2.87Å; A518-R520 VanDerWaalsContact C-N 3.33Å; A518-R520 PolarHBondContact O-N 2.86Å; R520-E522 VanDerWaalsContact C-N 3.3Å; R520-E522 PolarHBondContact O-N 3.09Å; R520-L523 PolarHBondContact O-N 2.86Å; R520-S524 PolarHBondContact O-N 2.82Å; R520-S524 PolarHBondContact O-OG 2.82Å; R520-D530 IonicContact CZ-OD2 2.76Å; R520-D530 IonicContact NE-OD2 3.55Å; R520-D530 PolarHBondContact NE-OD2 2.85Å; R520-D530 IonicContact NH2-OD1 2.74Å; R520-D530 IonicContact NH2-OD2 2.63Å; R520-D530 PolarHBondContact NH2-OD2 2.89Å
521	A	92	Very high	91.2	Very high	48 Å²	48	62.4 Å²	62.4	40%	0.397	35%	0.349	S	S	.	.	H	α-helix	trans	-68.2	-25.7	-179.8	0	0	0	0	0	114	V517 A518 K525	V517-A521 WeakPolarHBondContact O-CB 3.3Å; V517-A521 PolarHBondContact O-N 3.1Å; V517-A521 VanDerWaalsContact O-N 3.1Å; A518-A521 PolarHBondContact O-N 2.93Å; A521-K525 WeakPolarHBondContact O-CG 3.44Å
522	E	92.3	Very high	91	Very high	114 Å²	114	59.4 Å²	59.4	53%	0.533	34%	0.341	S	S	.	.	H	α-helix	trans	-72.5	-51.7	171.2	-178.9	-179.6	-163.1	0	0	111.6	A518 R519 R520 S524 K525 L526	A518-E522 PolarHBondContact O-N 3.09Å; R519-E522 PolarHBondContact O-N 3.36Å; R520-E522 VanDerWaalsContact C-N 3.3Å; R520-E522 PolarHBondContact O-N 3.09Å; E522-S524 VanDerWaalsContact C-N 3.27Å; E522-S524 PolarHBondContact O-N 2.86Å; E522-K525 WeakPolarHBondContact O-CA 3.23Å; E522-K525 WeakPolarHBondContact O-CB 3.4Å; E522-K525 PolarHBondContact O-N 2.91Å; E522-L526 HydrophobicContact CG-CD1 4.28Å; E522-L526 PolarHBondContact O-N 2.91Å; E522-L526 VanDerWaalsContact O-N 3.1Å
523	L	91.3	Very high	90.8	Very high	13 Å²	13	62.5 Å²	62.5	7%	0.068	36%	0.36	C	S	.	.	H	α-helix	trans	-58.8	-37.3	178.9	-72.9	167.3	0	0	0	112.1	L503 V512 R519 R520 K525 L526 G527 Y528	L503-L523 HydrophobicContact CD1-CD1 4.28Å; L503-L523 HydrophobicContact CD2-CB 3.9Å; L503-L523 HydrophobicContact CD2-CD1 4.49Å; V512-L523 HydrophobicContact CB-CD1 4.2Å; V512-L523 HydrophobicContact CG1-CD1 3.73Å; R519-L523 HydrophobicContact CG-CD1 4.01Å; R519-L523 HydrophobicContact CG-CG 4.36Å; R519-L523 WeakPolarHBondContact O-CB 3.45Å; R519-L523 WeakPolarHBondContact O-CD1 3.41Å; R519-L523 WeakPolarHBondContact O-CG 3.42Å; R519-L523 PolarHBondContact O-N 3.33Å; R520-L523 PolarHBondContact O-N 2.86Å; L523-K525 VanDerWaalsContact C-N 3.29Å; L523-K525 PolarHBondContact O-N 3.41Å; L523-L526 CarbonylContact O-C 3.47Å; L523-L526 WeakPolarHBondContact O-CA 3.46Å; L523-L526 PolarHBondContact O-N 2.78Å; L523-G527 PolarHBondContact O-N 2.84Å; L523-Y528 HydrophobicContact CB-CD2 4.12Å; L523-Y528 HydrophobicContact CB-CG 4.04Å; L523-Y528 HydrophobicContact CD2-CD1 4.25Å; L523-Y528 HydrophobicContact CD2-CD2 3.76Å; L523-Y528 HydrophobicContact CD2-CE1 4.13Å; L523-Y528 HydrophobicContact CD2-CE2 3.6Å; L523-Y528 HydrophobicContact CD2-CG 4.1Å; L523-Y528 WeakPolarHBondContact O-CB 3.47Å; L523-Y528 WeakPolarHBondContact O-CD2 3.27Å; L523-Y528 PolarHBondContact O-N 3.33Å
524	S	89.7	Confident	90.3	Very high	57 Å²	57	65.9 Å²	65.9	40%	0.399	38%	0.378	S	S	.	.	H	α-helix	trans	-62.2	-32.1	172.5	-60.6	0	0	0	0	113.5	R520 E522 L526 G527	R520-S524 PolarHBondContact O-N 2.82Å; R520-S524 PolarHBondContact O-OG 2.82Å; E522-S524 VanDerWaalsContact C-N 3.27Å; E522-S524 PolarHBondContact O-N 2.86Å; S524-L526 VanDerWaalsContact C-N 3.33Å; S524-G527 PolarHBondContact O-N 3Å
525	K	92	Very high	89.9	Confident	183 Å²	183	66.9 Å²	66.9	80%	0.796	39%	0.389	S	S	*	.	H	α-helix	trans	-73.3	-28.4	172.2	-62.3	166.7	-170.2	175.1	0	111.9	A521 E522 L523 G527	A521-K525 WeakPolarHBondContact O-CG 3.44Å; E522-K525 WeakPolarHBondContact O-CA 3.23Å; E522-K525 WeakPolarHBondContact O-CB 3.4Å; E522-K525 PolarHBondContact O-N 2.91Å; L523-K525 VanDerWaalsContact C-N 3.29Å; L523-K525 PolarHBondContact O-N 3.41Å; K525-G527 PolarHBondContact O-N 2.95Å
526	L	90.4	Very high	89.7	Confident	104 Å²	104	72.5 Å²	72.5	55%	0.545	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	14.3	174.1	-61.6	173.1	0	0	0	113.2	H505 E522 L523 S524 Y528	H505-L526 PolarHBondContact CD2-O 3.46Å; E522-L526 HydrophobicContact CG-CD1 4.28Å; E522-L526 PolarHBondContact O-N 2.91Å; E522-L526 VanDerWaalsContact O-N 3.1Å; L523-L526 CarbonylContact O-C 3.47Å; L523-L526 WeakPolarHBondContact O-CA 3.46Å; L523-L526 PolarHBondContact O-N 2.78Å; S524-L526 VanDerWaalsContact C-N 3.33Å; L526-Y528 HydrophobicContact CB-CD2 4.18Å; L526-Y528 HydrophobicContact CB-CE2 4.37Å
527	G	90.6	Very high	89.6	Confident	48 Å²	48	70.9 Å²	70.9	50%	0.495	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	13.9	174.5	0	0	0	0	0	115.5	L523 S524 K525	L523-G527 PolarHBondContact O-N 2.84Å; S524-G527 PolarHBondContact O-N 3Å; K525-G527 PolarHBondContact O-N 2.95Å
528	Y	92.8	Very high	89.6	Confident	22 Å²	22	66.5 Å²	66.5	9%	0.086	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-75.8	125.9	169.9	-72.2	-114.9	0	0	0	110.1	L503 H505 V512 L523 L526	L503-Y528 HydrophobicContact CB-CD1 4.16Å; H505-Y528 HydrophobicContact CB-CD1 3.66Å; H505-Y528 HydrophobicContact CB-CD2 3.96Å; H505-Y528 HydrophobicContact CB-CE1 3.55Å; H505-Y528 HydrophobicContact CB-CE2 3.86Å; H505-Y528 HydrophobicContact CB-CG 3.85Å; H505-Y528 AromaticContact CD2-CD2 3.9Å; H505-Y528 AromaticContact CD2-CE2 3.98Å; V512-Y528 HydrophobicContact CB-CE1 4.32Å; V512-Y528 HydrophobicContact CG2-CE1 3.74Å; L523-Y528 HydrophobicContact CB-CD2 4.12Å; L523-Y528 HydrophobicContact CB-CG 4.04Å; L523-Y528 HydrophobicContact CD2-CD1 4.25Å; L523-Y528 HydrophobicContact CD2-CD2 3.76Å; L523-Y528 HydrophobicContact CD2-CE1 4.13Å; L523-Y528 HydrophobicContact CD2-CE2 3.6Å; L523-Y528 HydrophobicContact CD2-CG 4.1Å; L523-Y528 WeakPolarHBondContact O-CB 3.47Å; L523-Y528 WeakPolarHBondContact O-CD2 3.27Å; L523-Y528 PolarHBondContact O-N 3.33Å; L526-Y528 HydrophobicContact CB-CD2 4.18Å; L526-Y528 HydrophobicContact CB-CE2 4.37Å
529	S	90.6	Very high	89.5	Confident	58 Å²	58	65.6 Å²	65.6	41%	0.406	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	132.6	167.3	-65.5	0	0	0	0	109.8	L503 Y504	L503-S529 CarbonylContact C-O 3.57Å; L503-S529 WeakPolarHBondContact CA-O 3.45Å; Y504-S529 PolarHBondContact N-O 3.38Å; Y504-S529 PolarHBondContact O-N 2.81Å
530	D	88.8	Confident	89.3	Confident	61 Å²	61	69.5 Å²	69.5	33%	0.326	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	120.8	175.4	-172.1	-12.4	0	0	0	109.9	L503 R520 G532	L503-D530 HydrophobicContact CD2-CB 4.46Å; R520-D530 IonicContact CZ-OD2 2.76Å; R520-D530 IonicContact NE-OD2 3.55Å; R520-D530 PolarHBondContact NE-OD2 2.85Å; R520-D530 IonicContact NH2-OD1 2.74Å; R520-D530 IonicContact NH2-OD2 2.63Å; R520-D530 PolarHBondContact NH2-OD2 2.89Å; D530-G532 WeakPolarHBondContact OD1-CA 3.4Å; D530-G532 PolarHBondContact OD1-N 2.9Å
531	F	85.9	Confident	88.9	Confident	104 Å²	104	71.1 Å²	71.1	46%	0.456	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	13.7	178.4	-82.3	-113.2	0	0	0	112.2	R502 Y504	R502-F531 HydrophobicContact CB-CB 4.49Å; R502-F531 HydrophobicContact CG-CB 4.25Å; R502-F531 WeakPolarHBondContact O-CA 3.47Å; R502-F531 WeakPolarHBondContact O-CB 3.18Å; R502-F531 PolarHBondContact O-N 3.16Å; Y504-F531 HydrophobicContact CD1-CE2 4.11Å; Y504-F531 HydrophobicContact CD1-CZ 4.29Å; Y504-F531 HydrophobicContact CG-CE2 4.29Å
532	G	83.9	Confident	88.1	Confident	26 Å²	26	70.5 Å²	70.5	27%	0.268	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	80.9	-166.2	175	0	0	0	0	0	114.4	R502 D530 L534	R502-G532 PolarHBondContact N-O 2.83Å; D530-G532 WeakPolarHBondContact OD1-CA 3.4Å; D530-G532 PolarHBondContact OD1-N 2.9Å; G532-L534 PolarHBondContact O-N 2.86Å
533	T	87	Confident	87.1	Confident	65 Å²	65	69.8 Å²	69.8	40%	0.399	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	116.8	176.1	-54.4	0	0	0	0	109.9	P499 L500 G535 Y536	P499-T533 HydrophobicContact CB-CG2 3.7Å; L500-T533 CarbonylContact O-C 3.55Å; T533-G535 WeakPolarHBondContact CG2-O 3.25Å; T533-Y536 HydrophobicContact CG2-CE2 4.29Å
534	L	83.3	Confident	85.9	Confident	86 Å²	86	74.6 Å²	74.6	45%	0.45	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	-37.8	173	178.9	62.6	0	0	0	111.5	L500 R502 L513 G532	L500-L534 HydrophobicContact CD2-CD2 4.3Å; L500-L534 PolarHBondContact O-N 2.82Å; R502-L534 HydrophobicContact CB-CB 4.18Å; L513-L534 HydrophobicContact CD1-CD2 4.1Å; L513-L534 HydrophobicContact CD2-CD2 3.77Å; G532-L534 PolarHBondContact O-N 2.86Å
535	G	84	Confident	84.9	Confident	28 Å²	28	72.7 Å²	72.7	29%	0.289	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.9	-168.3	-178.3	0	0	0	0	0	111.5	L500 T533	L500-G535 PolarHBondContact N-O 2.03Å; T533-G535 WeakPolarHBondContact CG2-O 3.25Å
536	Y	89.2	Confident	83.9	Confident	158 Å²	158	68.9 Å²	68.9	62%	0.62	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.9	178.6	-74.1	-86.3	0	0	0	109.1	L497 V498 P499 T533	L497-Y536 HydrophobicContact CB-CD1 4.43Å; V498-Y536 WeakPolarHBondContact O-CA 3.34Å; P499-Y536 HydrophobicContact CB-CD1 4.36Å; P499-Y536 HydrophobicContact CB-CE1 4.05Å; T533-Y536 HydrophobicContact CG2-CE2 4.29Å
537	I	90.7	Very high	83.1	Confident	14 Å²	14	69.5 Å²	69.5	7%	0.072	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	151.5	-172	-164.6	169.3	0	0	0	110	L497 V498 L500 T515 L551 Y587	L497-I537 WeakPolarHBondContact CA-O 3.22Å; V498-I537 HydrophobicContact CG2-CG2 3.96Å; V498-I537 WeakPolarHBondContact CG2-O 3.42Å; V498-I537 PolarHBondContact N-O 3.36Å; V498-I537 PolarHBondContact O-N 2.97Å; L500-I537 HydrophobicContact CB-CG2 4.13Å; T515-I537 HydrophobicContact CG2-CG2 3.49Å; T515-I537 VanDerWaalsContact CG2-CG2 3.49Å; I537-L551 HydrophobicContact CD1-CB 4.06Å; I537-L551 HydrophobicContact CD1-CD2 3.82Å; I537-Y587 WeakPolarHBondContact CG1-O 3.26Å
538	S	90.8	Very high	82.7	Confident	2 Å²	2	67.6 Å²	67.6	1%	0.014	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-74.4	132.9	174.8	-174.7	0	0	0	0	109.9	K540 G586 Y587	S538-K540 WeakPolarHBondContact CB-O 3.22Å; S538-K540 PolarHBondContact O-N 3Å; S538-K540 PolarHBondContact OG-N 3.02Å; S538-K540 PolarHBondContact OG-O 2.8Å; S538-G586 CarbonylContact O-C 3.58Å; S538-G586 VanDerWaalsContact O-CA 3.31Å; S538-G586 WeakPolarHBondContact O-CA 3.22Å; S538-Y587 WeakPolarHBondContact CB-O 3.44Å; S538-Y587 PolarHBondContact N-O 3.49Å; S538-Y587 PolarHBondContact O-N 3.06Å
539	P	90.2	Very high	82.4	Confident	55 Å²	55	70.5 Å²	70.5	36%	0.357	38%	0.379	S	S	.	.	S	Bend	trans	-77.8	-8.1	174.8	33.6	-35.1	0	0	0	112.7	Q496 V498	Q496-P539 WeakPolarHBondContact O-CD 3.38Å; V498-P539 HydrophobicContact CG1-CB 4.12Å; V498-P539 HydrophobicContact CG1-CG 4.08Å; V498-P539 HydrophobicContact CG2-CB 3.97Å; V498-P539 HydrophobicContact CG2-CG 4.44Å
540	K	87.6	Confident	82.4	Confident	143 Å²	143	69.2 Å²	69.2	62%	0.622	37%	0.372	S	S	*	.	S	Bend	trans	-140.3	149.8	-177.2	-66.5	-179	178.9	177.4	0	111.1	S538	S538-K540 WeakPolarHBondContact CB-O 3.22Å; S538-K540 PolarHBondContact O-N 3Å; S538-K540 PolarHBondContact OG-N 3.02Å; S538-K540 PolarHBondContact OG-O 2.8Å
541	M	84.3	Confident	82.5	Confident	104 Å²	104	67.4 Å²	67.4	51%	0.512	36%	0.362	S	S	.	.			trans	-61.9	140.2	164.3	-167.5	64.2	177.8	0	0	109.2	L548 Y587	M541-L548 VanDerWaalsContact CE-O 3.29Å; M541-L548 WeakPolarHBondContact CE-O 3.45Å; M541-L548 HydrophobicContact SD-CB 4.34Å; M541-L548 HydrophobicContact SD-CD2 4.23Å; M541-Y587 HydrophobicContact CB-CD1 4.03Å; M541-Y587 HydrophobicContact CB-CE1 3.77Å; M541-Y587 HydrophobicContact CG-CD1 4.45Å; M541-Y587 HydrophobicContact CG-CE1 4.37Å; M541-Y587 HydrophobicContact SD-CD1 3.61Å; M541-Y587 HydrophobicContact SD-CE1 3.97Å; M541-Y587 HydrophobicContact SD-CG 4.45Å
542	Q	75.5	Confident	82.9	Confident	36 Å²	36	63.1 Å²	63.1	17%	0.168	34%	0.344	C	S	.	.			trans	-124.5	116.8	172.6	-61.2	-170.1	-21.5	0	0	107.8	Q544 C545 L548	Q542-Q544 VanDerWaalsContact C-N 3.25Å; Q542-Q544 HydrophobicContact CB-CG 4.02Å; Q542-Q544 PolarHBondContact O-N 3.1Å; Q542-C545 PolarHBondContact O-N 2.81Å; Q542-L548 HydrophobicContact CB-CD2 4.36Å
543	S	69.6	Low	83.4	Confident	98 Å²	98	62.3 Å²	62.3	69%	0.685	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-40	-176	51	0	0	0	0	112.5	C545	S543-C545 PolarHBondContact O-N 2.86Å
544	Q	67.2	Low	83.7	Confident	114 Å²	114	59.2 Å²	59.2	53%	0.533	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-0.3	176.3	73.1	-150.7	17.2	0	0	116.1	Q542	Q542-Q544 VanDerWaalsContact C-N 3.25Å; Q542-Q544 HydrophobicContact CB-CG 4.02Å; Q542-Q544 PolarHBondContact O-N 3.1Å
545	C	68.4	Low	84.1	Confident	18 Å²	18	59.1 Å²	59.1	12%	0.122	31%	0.308	C	S	.	.			trans	-133.5	90.2	177.1	-169.5	0	0	0	0	110.3	Q542 S543 H547 L548	Q542-C545 PolarHBondContact O-N 2.81Å; S543-C545 PolarHBondContact O-N 2.86Å; C545-H547 PolarHBondContact O-N 2.96Å; C545-H547 VanDerWaalsContact O-N 3.13Å; C545-L548 HydrophobicContact CB-CB 4.19Å; C545-L548 VanDerWaalsContact O-CB 3.26Å; C545-L548 WeakPolarHBondContact O-CB 3.01Å; C545-L548 PolarHBondContact O-N 2.97Å
546	S	70.3	Confident	84.5	Confident	102 Å²	102	59.4 Å²	59.4	71%	0.713	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-25.6	178.7	50.1	0	0	0	0	114.8	L548	S546-L548 VanDerWaalsContact C-N 3.34Å
547	H	74.1	Confident	84.4	Confident	117 Å²	117	55.3 Å²	55.3	54%	0.542	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-0.7	-179.9	-57.6	-94.5	0	0	0	113.5	C545 K549 V589	C545-H547 PolarHBondContact O-N 2.96Å; C545-H547 VanDerWaalsContact O-N 3.13Å; H547-K549 PolarHBondContact O-N 3.48Å; H547-V589 HydrophobicContact CB-CG1 3.9Å
548	L	81.6	Confident	84.1	Confident	9 Å²	9	59.9 Å²	59.9	5%	0.047	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	110.9	-176.6	-150.7	80.1	0	0	0	110.7	M541 Q542 C545 S546 Y587 G588 V589	M541-L548 VanDerWaalsContact CE-O 3.29Å; M541-L548 WeakPolarHBondContact CE-O 3.45Å; M541-L548 HydrophobicContact SD-CB 4.34Å; M541-L548 HydrophobicContact SD-CD2 4.23Å; Q542-L548 HydrophobicContact CB-CD2 4.36Å; C545-L548 HydrophobicContact CB-CB 4.19Å; C545-L548 VanDerWaalsContact O-CB 3.26Å; C545-L548 WeakPolarHBondContact O-CB 3.01Å; C545-L548 PolarHBondContact O-N 2.97Å; S546-L548 VanDerWaalsContact C-N 3.34Å; L548-Y587 HydrophobicContact CD2-CG 4.49Å; L548-G588 CarbonylContact C-O 3.59Å; L548-G588 VanDerWaalsContact CA-O 3.25Å; L548-G588 WeakPolarHBondContact CA-O 3.4Å; L548-V589 HydrophobicContact CD1-CG2 4Å
549	K	86.4	Confident	83.7	Confident	83 Å²	83	61.6 Å²	61.6	36%	0.361	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	150	179.8	-66.2	-176.1	179.5	-178.9	0	111.6	H547 V566 Y587 G588 D590	H547-K549 PolarHBondContact O-N 3.48Å; K549-V566 HydrophobicContact CB-CG1 3.42Å; K549-V566 VanDerWaalsContact CB-CG1 3.42Å; K549-V566 HydrophobicContact CD-CG1 3.78Å; K549-V566 HydrophobicContact CG-CG1 4.24Å; K549-Y587 CarbonylContact O-C 3.57Å; K549-Y587 VanDerWaalsContact O-CA 3.28Å; K549-Y587 WeakPolarHBondContact O-CA 3.42Å; K549-G588 PolarHBondContact N-O 3.22Å; K549-G588 PolarHBondContact O-N 3.19Å; K549-D590 WeakPolarHBondContact CE-OD2 3.08Å; K549-D590 IonicContact NZ-OD2 3.66Å; K549-D590 PolarHBondContact NZ-OD2 2.62Å
550	A	90.8	Very high	83.2	Confident	30 Å²	30	60.3 Å²	60.3	25%	0.248	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	128.2	179.9	0	0	0	0	0	111.6	V552 V584 Y587	A550-V552 PolarHBondContact O-N 2.94Å; A550-V584 HydrophobicContact CB-CG1 4.02Å; A550-V584 HydrophobicContact CB-CG2 4.19Å; A550-Y587 HydrophobicContact CB-CD1 3.88Å; A550-Y587 HydrophobicContact CB-CE1 3.82Å
551	L	92.6	Very high	83.1	Confident	24 Å²	24	56.1 Å²	56.1	13%	0.126	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	104.3	172	-175.8	68.2	0	0	0	109.3	L500 I537 V566 V585 G586	L500-L551 HydrophobicContact CD2-CD2 4.18Å; I537-L551 HydrophobicContact CD1-CB 4.06Å; I537-L551 HydrophobicContact CD1-CD2 3.82Å; L551-V566 HydrophobicContact CD1-CG2 3.58Å; L551-V585 HydrophobicContact CD2-CB 4.33Å; L551-V585 PolarHBondContact O-N 2.9Å; L551-G586 PolarHBondContact N-O 2.91Å
552	V	93.2	Very high	83.3	Confident	13 Å²	13	53.1 Å²	53.1	8%	0.079	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	128.1	-176.1	-174.4	0	0	0	0	110.3	A550 L554 Y564 V565 L571 N581 V584	A550-V552 PolarHBondContact O-N 2.94Å; V552-L554 HydrophobicContact CG1-CD2 3.83Å; V552-L554 HydrophobicContact CG1-CG 4.48Å; V552-Y564 WeakPolarHBondContact O-CA 3.18Å; V552-V565 HydrophobicContact CB-CG2 3.94Å; V552-V565 PolarHBondContact N-O 2.69Å; V552-V565 PolarHBondContact O-N 2.84Å; V552-L571 HydrophobicContact CG1-CD1 4.2Å; V552-N581 VanDerWaalsContact CG1-OD1 3.3Å; V552-N581 WeakPolarHBondContact CG1-OD1 3.46Å; V552-V584 HydrophobicContact CG2-CG2 4.45Å
553	E	94.1	Very high	84.1	Confident	9 Å²	9	52.9 Å²	52.9	4%	0.042	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	122.6	170.3	-179.2	176.1	-179.7	0	0	110.1	R519 Y562 Y564 V582 G583 V585	R519-E553 IonicContact CZ-OE1 2.98Å; R519-E553 IonicContact CZ-OE2 3.93Å; R519-E553 IonicContact NH1-OE1 2.62Å; R519-E553 PolarHBondContact NH1-OE1 2.99Å; R519-E553 VanDerWaalsContact NH1-OE1 3.16Å; R519-E553 IonicContact NH1-OE2 2.82Å; R519-E553 PolarHBondContact NH1-OE2 3.43Å; R519-E553 IonicContact NH2-OE1 2.65Å; R519-E553 PolarHBondContact NH2-OE1 2.63Å; R519-E553 IonicContact NH2-OE2 3.16Å; E553-Y562 HydrophobicContact CG-CD1 4.24Å; E553-Y562 WeakPolarHBondContact OE1-CD1 3.44Å; E553-Y562 WeakPolarHBondContact OE1-CE1 3.18Å; E553-Y564 HydrophobicContact CB-CD1 4.01Å; E553-Y564 HydrophobicContact CB-CE1 3.71Å; E553-Y564 HydrophobicContact CG-CD1 4.26Å; E553-Y564 HydrophobicContact CG-CE1 3.57Å; E553-V582 HydrophobicContact CB-CB 4.1Å; E553-V582 HydrophobicContact CG-CB 3.88Å; E553-V582 HydrophobicContact CG-CG1 4.28Å; E553-V582 HydrophobicContact CG-CG2 4.08Å; E553-V582 WeakPolarHBondContact O-CB 3.3Å; E553-V582 PolarHBondContact O-N 2.76Å; E553-G583 PolarHBondContact N-O 3.44Å; E553-V585 HydrophobicContact CB-CG2 3.73Å
554	L	93.4	Very high	85.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	143.5	173.7	-57.3	-175.3	0	0	0	109.6	V552 Y562 V563 V565 L571 Y574 Y579 V580 N581	V552-L554 HydrophobicContact CG1-CD2 3.83Å; V552-L554 HydrophobicContact CG1-CG 4.48Å; L554-Y562 CarbonylContact O-C 3.37Å; L554-Y562 WeakPolarHBondContact O-CA 3.37Å; L554-V563 HydrophobicContact CB-CB 4.47Å; L554-V563 PolarHBondContact N-O 2.89Å; L554-V563 PolarHBondContact O-N 2.94Å; L554-V565 HydrophobicContact CD1-CG1 4.15Å; L554-V565 HydrophobicContact CD1-CG2 3.93Å; L554-V565 HydrophobicContact CG-CG2 4.25Å; L554-L571 HydrophobicContact CD1-CD1 4.09Å; L554-L571 HydrophobicContact CD2-CD1 3.76Å; L554-L571 HydrophobicContact CG-CD1 4.43Å; L554-Y574 VanDerWaalsContact CD1-CB 3.48Å; L554-Y574 HydrophobicContact CD1-CD2 4.35Å; L554-Y574 HydrophobicContact CD1-CG 4.19Å; L554-Y579 HydrophobicContact CB-CD1 4.14Å; L554-V580 WeakPolarHBondContact CA-O 3.27Å; L554-N581 HydrophobicContact CD2-CB 3.97Å
555	R	92.6	Very high	86.2	Confident	85 Å²	85	45.2 Å²	45.2	32%	0.321	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134.9	179.4	171.7	-176.3	161.8	136.3	2.1	110.8	P557 D560 D561 Y562 Y579 V580 V582	R555-P557 WeakPolarHBondContact O-CD 3.25Å; R555-D560 IonicContact CZ-OD1 3.23Å; R555-D560 IonicContact NE-OD1 2.93Å; R555-D560 IonicContact NH1-OD1 2.72Å; R555-D560 PolarHBondContact NH1-OD1 3.15Å; R555-D560 IonicContact NH2-OD1 3.16Å; R555-D560 PolarHBondContact NH2-OD1 3.13Å; R555-D561 WeakPolarHBondContact CA-O 3.26Å; R555-Y562 HydrophobicContact CB-CD1 4.11Å; R555-Y562 HydrophobicContact CB-CE1 4.04Å; R555-Y562 HydrophobicContact CG-CD1 4.42Å; R555-Y562 HydrophobicContact CG-CE1 4.02Å; R555-Y562 PolarHBondContact NH1-OH 3.46Å; R555-Y579 CarbonylContact O-C 3.59Å; R555-Y579 WeakPolarHBondContact O-CA 3.39Å; R555-V580 HydrophobicContact CB-CG2 4.41Å; R555-V580 PolarHBondContact N-O 3.5Å; R555-V580 WeakPolarHBondContact O-CG2 3.45Å; R555-V580 PolarHBondContact O-N 2.83Å; R555-V582 HydrophobicContact CB-CG2 3.55Å
556	L	91.8	Very high	87.1	Confident	34 Å²	34	46.8 Å²	46.8	18%	0.178	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	118.6	170	-171.2	58.9	0	0	0	109.8	S558 D560 D561 Y579	L556-S558 PolarHBondContact O-N 2.89Å; L556-D560 WeakPolarHBondContact O-CA 3.35Å; L556-D560 PolarHBondContact O-N 2.92Å; L556-D561 PolarHBondContact N-O 3.49Å; L556-Y579 HydrophobicContact CB-CD1 3.93Å; L556-Y579 HydrophobicContact CB-CD2 4.39Å; L556-Y579 HydrophobicContact CB-CE1 3.72Å; L556-Y579 HydrophobicContact CB-CE2 4.2Å; L556-Y579 HydrophobicContact CB-CG 4.25Å; L556-Y579 HydrophobicContact CD1-CD2 3.95Å; L556-Y579 HydrophobicContact CD1-CE2 4.06Å; L556-Y579 HydrophobicContact CD1-CG 4.36Å; L556-Y579 HydrophobicContact CD2-CE2 4.24Å; L556-Y579 HydrophobicContact CG-CE2 4.4Å
557	P	87.7	Confident	87.6	Confident	72 Å²	72	44.6 Å²	44.6	47%	0.468	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-34.8	-173.7	-24.9	35.5	0	0	0	114.5	R555 G578 V580	R555-P557 WeakPolarHBondContact O-CD 3.25Å; P557-G578 VanDerWaalsContact CD-O 3.22Å; P557-G578 WeakPolarHBondContact CD-O 3.29Å; P557-V580 HydrophobicContact CG-CG1 3.77Å; P557-V580 HydrophobicContact CG-CG2 4.03Å
558	S	84.7	Confident	88	Confident	110 Å²	110	45.2 Å²	45.2	77%	0.769	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-39	-176.1	51.6	0	0	0	0	112.8	L556	L556-S558 PolarHBondContact O-N 2.89Å
559	S	82.1	Confident	87.8	Confident	38 Å²	38	53.2 Å²	53.2	27%	0.266	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-27.9	-177.4	71.7	0	0	0	0	113.8	R510 D561	R510-S559 PolarHBondContact NH1-O 2.85Å; R510-S559 PolarHBondContact NH2-O 3.38Å; S559-D561 WeakPolarHBondContact CB-OD2 3.39Å; S559-D561 WeakPolarHBondContact OG-CB 3.43Å; S559-D561 VanDerWaalsContact OG-CG 3.31Å; S559-D561 PolarHBondContact OG-N 3.04Å; S559-D561 PolarHBondContact OG-OD2 3.18Å
560	D	79.9	Confident	87.6	Confident	27 Å²	27	50.9 Å²	50.9	14%	0.144	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	36	-164.9	167.4	75.8	0	0	0	112.6	K508 R510 R555 L556 Y562	K508-D560 IonicContact NZ-OD2 2.75Å; K508-D560 PolarHBondContact NZ-OD2 2.71Å; R510-D560 VanDerWaalsContact CD-O 3.23Å; R510-D560 WeakPolarHBondContact CD-O 3.34Å; R510-D560 VanDerWaalsContact CZ-C 3.45Å; R510-D560 PolarHBondContact NE-O 3.01Å; R510-D560 PolarHBondContact NH1-O 3.29Å; R510-D560 IonicContact NH1-OD2 2.79Å; R510-D560 PolarHBondContact NH1-OD2 2.74Å; R555-D560 IonicContact CZ-OD1 3.23Å; R555-D560 IonicContact NE-OD1 2.93Å; R555-D560 IonicContact NH1-OD1 2.72Å; R555-D560 PolarHBondContact NH1-OD1 3.15Å; R555-D560 IonicContact NH2-OD1 3.16Å; R555-D560 PolarHBondContact NH2-OD1 3.13Å; L556-D560 WeakPolarHBondContact O-CA 3.35Å; L556-D560 PolarHBondContact O-N 2.92Å; D560-Y562 WeakPolarHBondContact O-CE2 3.18Å; D560-Y562 PolarHBondContact OD1-OH 3.32Å
561	D	84.7	Confident	87.4	Confident	56 Å²	56	51.2 Å²	51.2	30%	0.299	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	157.9	165	-63.7	-58.4	0	0	0	111.7	R510 R555 L556 S559	R510-D561 IonicContact CZ-OD1 3.83Å; R510-D561 IonicContact NE-OD1 2.69Å; R510-D561 PolarHBondContact NE-OD1 2.73Å; R510-D561 VanDerWaalsContact NH2-CG 3.34Å; R510-D561 IonicContact NH2-OD1 3.14Å; R510-D561 PolarHBondContact NH2-OD1 3.46Å; R510-D561 IonicContact NH2-OD2 3.99Å; R510-D561 PolarHBondContact NH2-OD2 2.71Å; R555-D561 WeakPolarHBondContact CA-O 3.26Å; L556-D561 PolarHBondContact N-O 3.49Å; S559-D561 WeakPolarHBondContact CB-OD2 3.39Å; S559-D561 WeakPolarHBondContact OG-CB 3.43Å; S559-D561 VanDerWaalsContact OG-CG 3.31Å; S559-D561 PolarHBondContact OG-N 3.04Å; S559-D561 PolarHBondContact OG-OD2 3.18Å
562	Y	89.4	Confident	87.1	Confident	41 Å²	41	55.2 Å²	55.2	16%	0.161	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138.5	-171.3	-62.6	-98.7	0	0	0	111.4	V512 E553 L554 R555 D560	V512-Y562 HydrophobicContact CG2-CD2 4.14Å; V512-Y562 HydrophobicContact CG2-CE2 4.39Å; V512-Y562 HydrophobicContact CG2-CG 4.42Å; E553-Y562 HydrophobicContact CG-CD1 4.24Å; E553-Y562 WeakPolarHBondContact OE1-CD1 3.44Å; E553-Y562 WeakPolarHBondContact OE1-CE1 3.18Å; L554-Y562 CarbonylContact O-C 3.37Å; L554-Y562 WeakPolarHBondContact O-CA 3.37Å; R555-Y562 HydrophobicContact CB-CD1 4.11Å; R555-Y562 HydrophobicContact CB-CE1 4.04Å; R555-Y562 HydrophobicContact CG-CD1 4.42Å; R555-Y562 HydrophobicContact CG-CE1 4.02Å; R555-Y562 PolarHBondContact NH1-OH 3.46Å; D560-Y562 WeakPolarHBondContact O-CE2 3.18Å; D560-Y562 PolarHBondContact OD1-OH 3.32Å
563	V	91	Very high	86.6	Confident	30 Å²	30	56.1 Å²	56.1	18%	0.182	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.8	176.6	173.8	0	0	0	0	108.5	L554 V565 Y574 Y579	L554-V563 HydrophobicContact CB-CB 4.47Å; L554-V563 PolarHBondContact N-O 2.89Å; L554-V563 PolarHBondContact O-N 2.94Å; V563-V565 HydrophobicContact CG1-CG1 4.03Å; V563-Y574 HydrophobicContact CG1-CD1 4.49Å; V563-Y574 HydrophobicContact CG1-CD2 4.04Å; V563-Y574 HydrophobicContact CG1-CE1 4.21Å; V563-Y574 HydrophobicContact CG1-CE2 3.72Å; V563-Y574 HydrophobicContact CG1-CG 4.43Å; V563-Y574 HydrophobicContact CG2-CE1 4.19Å; V563-Y579 HydrophobicContact CB-CE1 4.17Å; V563-Y579 HydrophobicContact CG2-CD1 4.39Å; V563-Y579 HydrophobicContact CG2-CE1 3.58Å
564	Y	92.1	Very high	86.3	Confident	43 Å²	43	59.5 Å²	59.5	17%	0.169	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120.1	-179.9	-60.4	-87.2	0	0	0	109.3	L513 V552 E553 V585	L513-Y564 HydrophobicContact CB-CD1 4.41Å; L513-Y564 HydrophobicContact CB-CE1 3.97Å; L513-Y564 HydrophobicContact CB-CE2 4.12Å; L513-Y564 HydrophobicContact CD1-CD2 3.94Å; L513-Y564 HydrophobicContact CD1-CE2 4.25Å; L513-Y564 HydrophobicContact CD1-CG 4.1Å; L513-Y564 HydrophobicContact CG-CD2 4.11Å; L513-Y564 HydrophobicContact CG-CE2 3.89Å; L513-Y564 PolarHBondContact N-OH 3.38Å; L513-Y564 PolarHBondContact O-OH 3.47Å; V552-Y564 WeakPolarHBondContact O-CA 3.18Å; E553-Y564 HydrophobicContact CB-CD1 4.01Å; E553-Y564 HydrophobicContact CB-CE1 3.71Å; E553-Y564 HydrophobicContact CG-CD1 4.26Å; E553-Y564 HydrophobicContact CG-CE1 3.57Å; Y564-V585 HydrophobicContact CD1-CG2 4.11Å; Y564-V585 HydrophobicContact CE1-CG2 3.99Å
565	V	89.8	Confident	86.1	Confident	9 Å²	9	63.2 Å²	63.2	6%	0.055	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	156.2	-175.6	-60.3	0	0	0	0	111.9	V552 L554 V563 L571 Y574	V552-V565 HydrophobicContact CB-CG2 3.94Å; V552-V565 PolarHBondContact N-O 2.69Å; V552-V565 PolarHBondContact O-N 2.84Å; L554-V565 HydrophobicContact CD1-CG1 4.15Å; L554-V565 HydrophobicContact CD1-CG2 3.93Å; L554-V565 HydrophobicContact CG-CG2 4.25Å; V563-V565 HydrophobicContact CG1-CG1 4.03Å; V565-L571 HydrophobicContact CG2-CB 4.03Å; V565-L571 HydrophobicContact CG2-CD1 4.12Å; V565-Y574 HydrophobicContact CG1-CD2 3.8Å; V565-Y574 HydrophobicContact CG1-CE2 4.06Å
566	V	86.3	Confident	85.8	Confident	50 Å²	50	66.9 Å²	66.9	30%	0.303	34%	0.342	S	S	.	.			trans	-127.3	-26.6	-176.5	-177.4	0	0	0	0	112	K549 L551	K549-V566 HydrophobicContact CB-CG1 3.42Å; K549-V566 VanDerWaalsContact CB-CG1 3.42Å; K549-V566 HydrophobicContact CD-CG1 3.78Å; K549-V566 HydrophobicContact CG-CG1 4.24Å; L551-V566 HydrophobicContact CD1-CG2 3.58Å
567	D	82.2	Confident	85.5	Confident	57 Å²	57	72.2 Å²	72.2	31%	0.305	36%	0.364	S	S	.	.	S	Bend	trans	-100.6	161	177	76	96.6	0	0	0	112.9	Y569 S570 L571	D567-Y569 WeakPolarHBondContact OD1-CA 3.27Å; D567-Y569 WeakPolarHBondContact OD1-CB 3.23Å; D567-Y569 PolarHBondContact OD1-N 2.69Å; D567-S570 VanDerWaalsContact CG-OG 3.3Å; D567-S570 PolarHBondContact OD1-N 3.41Å; D567-S570 PolarHBondContact OD1-OG 2.97Å; D567-S570 WeakPolarHBondContact OD2-CB 3.4Å; D567-S570 PolarHBondContact OD2-OG 3.04Å; D567-L571 WeakPolarHBondContact O-CB 3.05Å; D567-L571 PolarHBondContact O-N 3.05Å
568	E	81.6	Confident	85.4	Confident	129 Å²	129	70.7 Å²	70.7	60%	0.603	36%	0.361	S	S	*	.	H	α-helix	trans	-79.2	-21.6	-175.7	-153.7	-165.1	149.5	0	0	113.5	K572	E568-K572 VanDerWaalsContact CD-NZ 3.28Å; E568-K572 WeakPolarHBondContact O-CD 3.06Å; E568-K572 VanDerWaalsContact O-CG 3.3Å; E568-K572 WeakPolarHBondContact O-CG 3.43Å; E568-K572 PolarHBondContact O-N 2.65Å; E568-K572 VanDerWaalsContact O-N 3.16Å; E568-K572 WeakPolarHBondContact OE1-CE 3.33Å; E568-K572 IonicContact OE1-NZ 3.5Å; E568-K572 PolarHBondContact OE1-NZ 2.85Å; E568-K572 IonicContact OE2-NZ 2.84Å
569	Y	77.8	Confident	85.8	Confident	177 Å²	177	67.5 Å²	67.5	69%	0.694	33%	0.332	S	S	*	.	H	α-helix	trans	-75.9	-54.6	-179.2	178.8	-96.5	0	0	0	110.1	D567 L571 K572 T573	D567-Y569 WeakPolarHBondContact OD1-CA 3.27Å; D567-Y569 WeakPolarHBondContact OD1-CB 3.23Å; D567-Y569 PolarHBondContact OD1-N 2.69Å; Y569-L571 PolarHBondContact O-N 2.95Å; Y569-K572 PolarHBondContact O-N 2.99Å; Y569-T573 PolarHBondContact O-N 2.83Å; Y569-T573 PolarHBondContact O-OG1 3.11Å; Y569-T573 VanDerWaalsContact O-OG1 3.12Å
570	S	82	Confident	86.3	Confident	35 Å²	35	69 Å²	69	25%	0.245	34%	0.34	C	S	.	.	H	α-helix	trans	-53.2	-41.8	172.8	-56.4	0	0	0	0	111.4	D567 T573 Y574	D567-S570 VanDerWaalsContact CG-OG 3.3Å; D567-S570 PolarHBondContact OD1-N 3.41Å; D567-S570 PolarHBondContact OD1-OG 2.97Å; D567-S570 WeakPolarHBondContact OD2-CB 3.4Å; D567-S570 PolarHBondContact OD2-OG 3.04Å; S570-T573 PolarHBondContact O-N 2.98Å; S570-Y574 VanDerWaalsContact O-CD2 3.22Å; S570-Y574 WeakPolarHBondContact O-CD2 3.45Å; S570-Y574 PolarHBondContact O-N 2.82Å
571	L	86.8	Confident	86.9	Confident	37 Å²	37	71.8 Å²	71.8	19%	0.194	36%	0.355	C	S	.	.	H	α-helix	trans	-57.1	-50	175.1	178.3	58.8	0	0	0	112	V552 L554 V565 D567 Y569 L575	V552-L571 HydrophobicContact CG1-CD1 4.2Å; L554-L571 HydrophobicContact CD1-CD1 4.09Å; L554-L571 HydrophobicContact CD2-CD1 3.76Å; L554-L571 HydrophobicContact CG-CD1 4.43Å; V565-L571 HydrophobicContact CG2-CB 4.03Å; V565-L571 HydrophobicContact CG2-CD1 4.12Å; D567-L571 WeakPolarHBondContact O-CB 3.05Å; D567-L571 PolarHBondContact O-N 3.05Å; Y569-L571 PolarHBondContact O-N 2.95Å; L571-L575 HydrophobicContact CD1-CD1 3.97Å; L571-L575 HydrophobicContact CD1-CG 4.33Å; L571-L575 HydrophobicContact CG-CD1 4.12Å; L571-L575 WeakPolarHBondContact O-CB 3.42Å; L571-L575 WeakPolarHBondContact O-CD1 3.41Å; L571-L575 WeakPolarHBondContact O-CG 3.49Å; L571-L575 PolarHBondContact O-N 3.02Å
572	K	85.2	Confident	87.3	Confident	107 Å²	107	72.7 Å²	72.7	47%	0.465	36%	0.362	S	S	.	.	H	α-helix	trans	-62.2	-44	176.7	-72.9	165	-175.7	164.9	0	111.8	E568 Y569 L575 Q576	E568-K572 VanDerWaalsContact CD-NZ 3.28Å; E568-K572 WeakPolarHBondContact O-CD 3.06Å; E568-K572 VanDerWaalsContact O-CG 3.3Å; E568-K572 WeakPolarHBondContact O-CG 3.43Å; E568-K572 PolarHBondContact O-N 2.65Å; E568-K572 VanDerWaalsContact O-N 3.16Å; E568-K572 WeakPolarHBondContact OE1-CE 3.33Å; E568-K572 IonicContact OE1-NZ 3.5Å; E568-K572 PolarHBondContact OE1-NZ 2.85Å; E568-K572 IonicContact OE2-NZ 2.84Å; Y569-K572 PolarHBondContact O-N 2.99Å; K572-L575 PolarHBondContact O-N 3.16Å; K572-Q576 WeakPolarHBondContact O-CG 3.48Å; K572-Q576 PolarHBondContact O-N 3.4Å
573	T	84	Confident	87.4	Confident	32 Å²	32	72.1 Å²	72.1	20%	0.196	37%	0.369	C	S	.	.	H	α-helix	trans	-62.8	-48.5	-179.2	-60.6	0	0	0	0	112.4	Y569 S570 L575 Q576 F577	Y569-T573 PolarHBondContact O-N 2.83Å; Y569-T573 PolarHBondContact O-OG1 3.11Å; Y569-T573 VanDerWaalsContact O-OG1 3.12Å; S570-T573 PolarHBondContact O-N 2.98Å; T573-L575 VanDerWaalsContact C-N 3.35Å; T573-L575 PolarHBondContact O-N 3.23Å; T573-Q576 WeakPolarHBondContact O-CB 3.05Å; T573-Q576 PolarHBondContact O-N 3.41Å; T573-F577 HydrophobicContact CG2-CD2 3.9Å; T573-F577 HydrophobicContact CG2-CE2 3.47Å; T573-F577 VanDerWaalsContact CG2-CE2 3.47Å; T573-F577 HydrophobicContact CG2-CZ 4.41Å; T573-F577 VanDerWaalsContact O-CD2 3.27Å; T573-F577 WeakPolarHBondContact O-CD2 3.17Å; T573-F577 PolarHBondContact O-N 2.04Å
574	Y	87.5	Confident	87.5	Confident	81 Å²	81	74.1 Å²	74.1	32%	0.318	38%	0.381	S	S	.	.	H	α-helix	trans	-67.1	-33.9	177.8	-78.7	-68.1	0	0	0	112.9	L554 V563 V565 S570 Q576 F577 G578 Y579	L554-Y574 VanDerWaalsContact CD1-CB 3.48Å; L554-Y574 HydrophobicContact CD1-CD2 4.35Å; L554-Y574 HydrophobicContact CD1-CG 4.19Å; V563-Y574 HydrophobicContact CG1-CD1 4.49Å; V563-Y574 HydrophobicContact CG1-CD2 4.04Å; V563-Y574 HydrophobicContact CG1-CE1 4.21Å; V563-Y574 HydrophobicContact CG1-CE2 3.72Å; V563-Y574 HydrophobicContact CG1-CG 4.43Å; V563-Y574 HydrophobicContact CG2-CE1 4.19Å; V565-Y574 HydrophobicContact CG1-CD2 3.8Å; V565-Y574 HydrophobicContact CG1-CE2 4.06Å; S570-Y574 VanDerWaalsContact O-CD2 3.22Å; S570-Y574 WeakPolarHBondContact O-CD2 3.45Å; S570-Y574 PolarHBondContact O-N 2.82Å; Y574-Q576 VanDerWaalsContact C-N 3.33Å; Y574-F577 CarbonylContact O-C 3.6Å; Y574-F577 PolarHBondContact O-N 2.79Å; Y574-G578 PolarHBondContact O-N 3.12Å; Y574-Y579 AromaticContact CD1-CD2 3.9Å; Y574-Y579 HydrophobicContact CD1-CD2 3.9Å; Y574-Y579 AromaticContact CD1-CE2 3.76Å; Y574-Y579 HydrophobicContact CD1-CE2 3.76Å; Y574-Y579 HydrophobicContact CD1-CG 4.36Å; Y574-Y579 HydrophobicContact CE1-CE2 4.37Å; Y574-Y579 WeakPolarHBondContact O-CB 3.15Å; Y574-Y579 WeakPolarHBondContact O-CD2 3.46Å; Y574-Y579 PolarHBondContact O-N 2.65Å; Y574-Y579 VanDerWaalsContact O-N 3.1Å
575	L	88.9	Confident	87.5	Confident	77 Å²	77	72.8 Å²	72.8	40%	0.403	38%	0.377	S	S	.	.	H	α-helix	trans	-63.7	-37.3	172.3	-69.9	169.5	0	0	0	111.9	L571 K572 T573 G578 Y579 N581	L571-L575 HydrophobicContact CD1-CD1 3.97Å; L571-L575 HydrophobicContact CD1-CG 4.33Å; L571-L575 HydrophobicContact CG-CD1 4.12Å; L571-L575 WeakPolarHBondContact O-CB 3.42Å; L571-L575 WeakPolarHBondContact O-CD1 3.41Å; L571-L575 WeakPolarHBondContact O-CG 3.49Å; L571-L575 PolarHBondContact O-N 3.02Å; K572-L575 PolarHBondContact O-N 3.16Å; T573-L575 VanDerWaalsContact C-N 3.35Å; T573-L575 PolarHBondContact O-N 3.23Å; L575-G578 PolarHBondContact O-N 2.9Å; L575-Y579 WeakPolarHBondContact CD2-O 3.13Å; L575-N581 HydrophobicContact CD2-CB 4.41Å
576	Q	86	Confident	87.6	Confident	163 Å²	163	72.4 Å²	72.4	76%	0.762	38%	0.375	S	S	*	.	H	α-helix	trans	-65.6	-36.1	172.5	-73.3	174.7	-18.3	0	0	112.4	K572 T573 Y574 G578	K572-Q576 WeakPolarHBondContact O-CG 3.48Å; K572-Q576 PolarHBondContact O-N 3.4Å; T573-Q576 WeakPolarHBondContact O-CB 3.05Å; T573-Q576 PolarHBondContact O-N 3.41Å; Y574-Q576 VanDerWaalsContact C-N 3.33Å; Q576-G578 PolarHBondContact O-N 2.93Å; Q576-G578 VanDerWaalsContact O-N 3.14Å
577	F	85.6	Confident	87.8	Confident	146 Å²	146	72.8 Å²	72.8	64%	0.64	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	14	171.7	-65.2	-51.2	0	0	0	114.5	T573 Y574 Y579	T573-F577 HydrophobicContact CG2-CD2 3.9Å; T573-F577 HydrophobicContact CG2-CE2 3.47Å; T573-F577 VanDerWaalsContact CG2-CE2 3.47Å; T573-F577 HydrophobicContact CG2-CZ 4.41Å; T573-F577 VanDerWaalsContact O-CD2 3.27Å; T573-F577 WeakPolarHBondContact O-CD2 3.17Å; T573-F577 PolarHBondContact O-N 2.04Å; Y574-F577 CarbonylContact O-C 3.6Å; Y574-F577 PolarHBondContact O-N 2.79Å; F577-Y579 HydrophobicContact CB-CD2 4.3Å; F577-Y579 HydrophobicContact CB-CE2 4.49Å; F577-Y579 PolarHBondContact O-N 3.22Å
578	G	86.8	Confident	87.9	Confident	40 Å²	40	71.2 Å²	71.2	41%	0.412	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	12.5	172	0	0	0	0	0	115.4	P557 Y574 L575 Q576	P557-G578 VanDerWaalsContact CD-O 3.22Å; P557-G578 WeakPolarHBondContact CD-O 3.29Å; Y574-G578 PolarHBondContact O-N 3.12Å; L575-G578 PolarHBondContact O-N 2.9Å; Q576-G578 PolarHBondContact O-N 2.93Å; Q576-G578 VanDerWaalsContact O-N 3.14Å
579	Y	93.1	Very high	87.7	Confident	42 Å²	42	69.3 Å²	69.3	17%	0.165	37%	0.365	C	S	.	.			trans	-69	148.1	165.8	-71.4	-113.2	0	0	0	109.8	L554 R555 L556 V563 Y574 L575 F577	L554-Y579 HydrophobicContact CB-CD1 4.14Å; R555-Y579 CarbonylContact O-C 3.59Å; R555-Y579 WeakPolarHBondContact O-CA 3.39Å; L556-Y579 HydrophobicContact CB-CD1 3.93Å; L556-Y579 HydrophobicContact CB-CD2 4.39Å; L556-Y579 HydrophobicContact CB-CE1 3.72Å; L556-Y579 HydrophobicContact CB-CE2 4.2Å; L556-Y579 HydrophobicContact CB-CG 4.25Å; L556-Y579 HydrophobicContact CD1-CD2 3.95Å; L556-Y579 HydrophobicContact CD1-CE2 4.06Å; L556-Y579 HydrophobicContact CD1-CG 4.36Å; L556-Y579 HydrophobicContact CD2-CE2 4.24Å; L556-Y579 HydrophobicContact CG-CE2 4.4Å; V563-Y579 HydrophobicContact CB-CE1 4.17Å; V563-Y579 HydrophobicContact CG2-CD1 4.39Å; V563-Y579 HydrophobicContact CG2-CE1 3.58Å; Y574-Y579 AromaticContact CD1-CD2 3.9Å; Y574-Y579 HydrophobicContact CD1-CD2 3.9Å; Y574-Y579 AromaticContact CD1-CE2 3.76Å; Y574-Y579 HydrophobicContact CD1-CE2 3.76Å; Y574-Y579 HydrophobicContact CD1-CG 4.36Å; Y574-Y579 HydrophobicContact CE1-CE2 4.37Å; Y574-Y579 WeakPolarHBondContact O-CB 3.15Å; Y574-Y579 WeakPolarHBondContact O-CD2 3.46Å; Y574-Y579 PolarHBondContact O-N 2.65Å; Y574-Y579 VanDerWaalsContact O-N 3.1Å; L575-Y579 WeakPolarHBondContact CD2-O 3.13Å; F577-Y579 HydrophobicContact CB-CD2 4.3Å; F577-Y579 HydrophobicContact CB-CE2 4.49Å; F577-Y579 PolarHBondContact O-N 3.22Å
580	V	92.3	Very high	87.2	Confident	70 Å²	70	64.5 Å²	64.5	42%	0.424	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	143	171.5	-61.8	0	0	0	0	110.4	L554 R555 P557 V582	L554-V580 WeakPolarHBondContact CA-O 3.27Å; R555-V580 HydrophobicContact CB-CG2 4.41Å; R555-V580 PolarHBondContact N-O 3.5Å; R555-V580 WeakPolarHBondContact O-CG2 3.45Å; R555-V580 PolarHBondContact O-N 2.83Å; P557-V580 HydrophobicContact CG-CG1 3.77Å; P557-V580 HydrophobicContact CG-CG2 4.03Å; V580-V582 PolarHBondContact O-N 2.83Å
581	N	92.9	Very high	86.3	Confident	86 Å²	86	67.1 Å²	67.1	46%	0.46	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	121.8	175.4	-171.1	-19.5	0	0	0	110.1	V552 L554 L575 G583	V552-N581 VanDerWaalsContact CG1-OD1 3.3Å; V552-N581 WeakPolarHBondContact CG1-OD1 3.46Å; L554-N581 HydrophobicContact CD2-CB 3.97Å; L575-N581 HydrophobicContact CD2-CB 4.41Å; N581-G583 PolarHBondContact OD1-N 3.17Å
582	V	91.8	Very high	84.9	Confident	74 Å²	74	68.6 Å²	68.6	45%	0.448	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-30.8	179.5	-174.5	0	0	0	0	111.1	E553 R555 V580	E553-V582 HydrophobicContact CB-CB 4.1Å; E553-V582 HydrophobicContact CG-CB 3.88Å; E553-V582 HydrophobicContact CG-CG1 4.28Å; E553-V582 HydrophobicContact CG-CG2 4.08Å; E553-V582 WeakPolarHBondContact O-CB 3.3Å; E553-V582 PolarHBondContact O-N 2.76Å; R555-V582 HydrophobicContact CB-CG2 3.55Å; V580-V582 PolarHBondContact O-N 2.83Å
583	G	91.6	Very high	83.6	Confident	29 Å²	29	67 Å²	67	30%	0.299	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	139.2	-177.2	177.5	0	0	0	0	0	113.7	E553 N581	E553-G583 PolarHBondContact N-O 3.44Å; N581-G583 PolarHBondContact OD1-N 3.17Å
584	V	92.4	Very high	83	Confident	73 Å²	73	67.3 Å²	67.3	44%	0.442	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125.6	177.8	179.4	0	0	0	0	110.2	A550 V552 G586 Y587	A550-V584 HydrophobicContact CB-CG1 4.02Å; A550-V584 HydrophobicContact CB-CG2 4.19Å; V552-V584 HydrophobicContact CG2-CG2 4.45Å; V584-G586 VanDerWaalsContact CG1-O 3.3Å; V584-G586 WeakPolarHBondContact CG1-O 3.43Å; V584-Y587 HydrophobicContact CG1-CD2 4.46Å; V584-Y587 HydrophobicContact CG1-CE1 4.27Å; V584-Y587 HydrophobicContact CG1-CE2 3.99Å
585	V	92.8	Very high	83	Confident	15 Å²	15	66.6 Å²	66.6	9%	0.091	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-30.5	178.5	-176.7	0	0	0	0	111.9	L500 T515 L551 E553 Y564	L500-V585 HydrophobicContact CD1-CG1 3.65Å; T515-V585 HydrophobicContact CG2-CG1 4.3Å; T515-V585 WeakPolarHBondContact CG2-O 3.44Å; T515-V585 PolarHBondContact OG1-O 3.39Å; T515-V585 VanDerWaalsContact OG1-O 3.06Å; L551-V585 HydrophobicContact CD2-CB 4.33Å; L551-V585 PolarHBondContact O-N 2.9Å; E553-V585 HydrophobicContact CB-CG2 3.73Å; Y564-V585 HydrophobicContact CD1-CG2 4.11Å; Y564-V585 HydrophobicContact CE1-CG2 3.99Å
586	G	91.5	Very high	83.1	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.01	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.5	-172	-179.9	0	0	0	0	0	110.4	S538 L551 V584	S538-G586 CarbonylContact O-C 3.58Å; S538-G586 VanDerWaalsContact O-CA 3.31Å; S538-G586 WeakPolarHBondContact O-CA 3.22Å; L551-G586 PolarHBondContact N-O 2.91Å; V584-G586 VanDerWaalsContact CG1-O 3.3Å; V584-G586 WeakPolarHBondContact CG1-O 3.43Å
587	Y	90.2	Very high	83.3	Confident	58 Å²	58	59.4 Å²	59.4	23%	0.227	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.6	-178.3	-54.4	-101.6	0	0	0	109.6	I537 S538 M541 L548 K549 A550 V584	I537-Y587 WeakPolarHBondContact CG1-O 3.26Å; S538-Y587 WeakPolarHBondContact CB-O 3.44Å; S538-Y587 PolarHBondContact N-O 3.49Å; S538-Y587 PolarHBondContact O-N 3.06Å; M541-Y587 HydrophobicContact CB-CD1 4.03Å; M541-Y587 HydrophobicContact CB-CE1 3.77Å; M541-Y587 HydrophobicContact CG-CD1 4.45Å; M541-Y587 HydrophobicContact CG-CE1 4.37Å; M541-Y587 HydrophobicContact SD-CD1 3.61Å; M541-Y587 HydrophobicContact SD-CE1 3.97Å; M541-Y587 HydrophobicContact SD-CG 4.45Å; L548-Y587 HydrophobicContact CD2-CG 4.49Å; K549-Y587 CarbonylContact O-C 3.57Å; K549-Y587 VanDerWaalsContact O-CA 3.28Å; K549-Y587 WeakPolarHBondContact O-CA 3.42Å; A550-Y587 HydrophobicContact CB-CD1 3.88Å; A550-Y587 HydrophobicContact CB-CE1 3.82Å; V584-Y587 HydrophobicContact CG1-CD2 4.46Å; V584-Y587 HydrophobicContact CG1-CE1 4.27Å; V584-Y587 HydrophobicContact CG1-CE2 3.99Å
588	G	85.4	Confident	83.8	Confident	23 Å²	23	52.5 Å²	52.5	24%	0.237	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-171.9	179.6	0	0	0	0	0	111.4	L548 K549	L548-G588 CarbonylContact C-O 3.59Å; L548-G588 VanDerWaalsContact CA-O 3.25Å; L548-G588 WeakPolarHBondContact CA-O 3.4Å; K549-G588 PolarHBondContact N-O 3.22Å; K549-G588 PolarHBondContact O-N 3.19Å
589	V	77.6	Confident	84.2	Confident	89 Å²	89	53.7 Å²	53.7	54%	0.539	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	149.9	165.5	-178.6	0	0	0	0	106.8	H547 L548	H547-V589 HydrophobicContact CB-CG1 3.9Å; L548-V589 HydrophobicContact CD1-CG2 4Å
590	D	67.1	Low	84.3	Confident	77 Å²	77	51.8 Å²	51.8	41%	0.412	30%	0.302	S	S	.	.			trans	-60.9	154.5	172.1	-121.7	-30.7	0	0	0	111.4	K549	K549-D590 WeakPolarHBondContact CE-OD2 3.08Å; K549-D590 IonicContact NZ-OD2 3.66Å; K549-D590 PolarHBondContact NZ-OD2 2.62Å
591	D	62.3	Low	84.5	Confident	89 Å²	89	50.3 Å²	50.3	48%	0.476	29%	0.29	S	S	.	.			trans	-76.4	150.6	164.6	-159.2	-19.4	0	0	0	108.4	S593 K691	D591-S593 PolarHBondContact O-N 3.33Å; D591-K691 IonicContact OD1-NZ 2.69Å; D591-K691 PolarHBondContact OD1-NZ 3.03Å
592	E	57.7	Low	84.5	Confident	68 Å²	68	46.2 Å²	46.2	32%	0.318	27%	0.268	S	S	.	.			trans	-77.2	63.2	167.2	-65.6	-176.5	126.6	0	0	108.6	L594 R686 A687 K691	E592-L594 VanDerWaalsContact C-N 3.35Å; E592-L594 PolarHBondContact O-N 3.29Å; E592-R686 IonicContact OE1-CZ 3.74Å; E592-R686 VanDerWaalsContact OE1-CZ 3.25Å; E592-R686 IonicContact OE1-NH1 2.71Å; E592-R686 PolarHBondContact OE1-NH1 3.14Å; E592-R686 IonicContact OE1-NH2 3.52Å; E592-R686 PolarHBondContact OE1-NH2 2.93Å; E592-A687 HydrophobicContact CB-CB 4.42Å; E592-K691 PolarHBondContact O-NZ 3.35Å; E592-K691 VanDerWaalsContact O-NZ 3.09Å
593	S	58.5	Low	84.6	Confident	74 Å²	74	43.1 Å²	43.1	52%	0.517	25%	0.25	S	S	.	.			trans	-89.2	75.6	167.9	56.4	0	0	0	0	108.3	D591	D591-S593 PolarHBondContact O-N 3.33Å
594	L	72.1	Confident	84.3	Confident	38 Å²	38	44.8 Å²	44.8	20%	0.199	25%	0.25	C	S	.	.			trans	-78.6	135.2	178.6	-96.1	144.4	0	0	0	111	E592 C620 L621 E683 F684 A687	E592-L594 VanDerWaalsContact C-N 3.35Å; E592-L594 PolarHBondContact O-N 3.29Å; L594-C620 WeakPolarHBondContact O-CA 3.28Å; L594-L621 PolarHBondContact O-N 3.14Å; L594-E683 HydrophobicContact CD1-CG 3.95Å; L594-E683 HydrophobicContact CD2-CG 3.86Å; L594-F684 HydrophobicContact CB-CD2 4.38Å; L594-A687 HydrophobicContact CB-CB 4.46Å; L594-A687 HydrophobicContact CD1-CB 3.33Å; L594-A687 HydrophobicContact CG-CB 4.49Å
595	C	86.5	Confident	83.7	Confident	66 Å²	66	44.8 Å²	44.8	45%	0.446	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	139.1	172.9	-64.8	0	0	0	0	108.4	V618 V619 C620	C595-V618 HydrophobicContact CB-CG1 3.82Å; C595-V619 CarbonylContact C-O 3.5Å; C595-V619 WeakPolarHBondContact CA-O 3.48Å; C595-C620 HydrophobicContact CB-CB 4.17Å; C595-C620 WeakPolarHBondContact CB-SG 3.44Å; C595-C620 WeakPolarHBondContact SG-CB 3.29Å; C595-C620 CovalentContact SG-SG 2.04Å; C595-C620 PolarHBondContact SG-SG 2.85Å
596	S	90.2	Very high	83.1	Confident	8 Å²	8	50.3 Å²	50.3	6%	0.056	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	154.6	-178.3	-59.5	0	0	0	0	111	V618 V619	S596-V618 CarbonylContact O-C 3.57Å; S596-V618 WeakPolarHBondContact O-CA 3.22Å; S596-V619 PolarHBondContact N-O 3.17Å; S596-V619 PolarHBondContact O-N 3.3Å
597	I	92	Very high	82.2	Confident	81 Å²	81	52.2 Å²	52.2	42%	0.415	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	119.7	177.7	-59.2	174.4	0	0	0	108.4	V618 I637	I597-V618 HydrophobicContact CG1-CG2 4.33Å; I597-I637 HydrophobicContact CD1-CD1 3.91Å; I597-I637 HydrophobicContact CG1-CD1 4.38Å
598	V	94.8	Very high	81.8	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.012	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	158.2	-176.4	-54	0	0	0	0	112.4	V616 G617 V619 M634 L673 N674 F675	V598-V616 WeakPolarHBondContact O-CA 3.41Å; V598-G617 PolarHBondContact N-O 3.4Å; V598-G617 PolarHBondContact O-N 3.22Å; V598-G617 VanDerWaalsContact O-N 3.09Å; V598-V619 HydrophobicContact CB-CG1 4.33Å; V598-V619 HydrophobicContact CG1-CG1 3.84Å; V598-V619 HydrophobicContact CG2-CB 3.83Å; V598-V619 HydrophobicContact CG2-CG1 3.48Å; V598-V619 VanDerWaalsContact CG2-CG1 3.48Å; V598-M634 HydrophobicContact CG2-CE 3.37Å; V598-L673 HydrophobicContact CG2-CB 4.42Å; V598-L673 HydrophobicContact CG2-CD2 4.03Å; V598-N674 CarbonylContact C-O 3.55Å; V598-N674 VanDerWaalsContact CA-O 3.3Å; V598-N674 WeakPolarHBondContact CA-O 3.43Å; V598-N674 WeakPolarHBondContact CB-O 3.48Å; V598-F675 HydrophobicContact CG1-CD1 3.51Å; V598-F675 HydrophobicContact CG1-CD2 3.9Å; V598-F675 HydrophobicContact CG1-CE1 3.52Å; V598-F675 HydrophobicContact CG1-CE2 3.87Å; V598-F675 HydrophobicContact CG1-CG 3.7Å; V598-F675 HydrophobicContact CG1-CZ 3.69Å
599	Q	95.6	Very high	81.7	Confident	65 Å²	65	63.2 Å²	63.2	30%	0.304	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127.8	161.8	-49.1	-175.7	-7.3	0	0	108.4	F601 H615 V616 N674	Q599-F601 HydrophobicContact CB-CD2 4.32Å; Q599-F601 HydrophobicContact CB-CE2 3.83Å; Q599-H615 WeakPolarHBondContact CA-O 3.29Å; Q599-V616 HydrophobicContact CB-CG2 4.43Å; Q599-V616 HydrophobicContact CG-CG1 4.36Å; Q599-V616 HydrophobicContact CG-CG2 4.07Å; Q599-N674 HydrophobicContact CB-CB 4.32Å; Q599-N674 PolarHBondContact N-O 3.11Å; Q599-N674 PolarHBondContact O-N 3.02Å
600	L	95.9	Very high	82.1	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.005	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	123.9	172	-178.7	68.5	0	0	0	109.6	K614 H615 M634 W644 Y671 L673	L600-K614 HydrophobicContact CD2-CB 4.16Å; L600-K614 HydrophobicContact CG-CB 4.35Å; L600-K614 PolarHBondContact O-N 3.23Å; L600-H615 HydrophobicContact CB-CB 4.41Å; L600-H615 PolarHBondContact N-O 2.78Å; L600-M634 HydrophobicContact CB-CE 3.83Å; L600-M634 HydrophobicContact CB-SD 4.19Å; L600-W644 HydrophobicContact CD1-CD2 4.39Å; L600-W644 HydrophobicContact CD1-CH2 4.42Å; L600-W644 HydrophobicContact CD1-CZ2 4.17Å; L600-W644 HydrophobicContact CD2-CB 4Å; L600-W644 HydrophobicContact CD2-CD2 3.67Å; L600-W644 HydrophobicContact CD2-CE3 4.36Å; L600-W644 HydrophobicContact CD2-CG 3.49Å; L600-W644 VanDerWaalsContact CD2-CG 3.49Å; L600-Y671 HydrophobicContact CD1-CD1 3.97Å; L600-Y671 HydrophobicContact CD1-CG 4.42Å; L600-Y671 HydrophobicContact CG-CD1 4.45Å; L600-L673 HydrophobicContact CD1-CD2 3.75Å
601	F	95	Very high	83.3	Confident	40 Å²	40	65.6 Å²	65.6	18%	0.175	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	150.3	167.9	-71.8	-94.5	0	0	0	110.9	Q599 W611 T612 K613 Y671 G672 N674	Q599-F601 HydrophobicContact CB-CD2 4.32Å; Q599-F601 HydrophobicContact CB-CE2 3.83Å; F601-W611 HydrophobicContact CB-CB 4.39Å; F601-W611 HydrophobicContact CB-CD2 4.38Å; F601-W611 HydrophobicContact CB-CE3 3.73Å; F601-W611 HydrophobicContact CB-CZ3 4.36Å; F601-W611 HydrophobicContact CD1-CB 3.98Å; F601-T612 CarbonylContact C-O 3.58Å; F601-T612 VanDerWaalsContact CA-O 3.22Å; F601-T612 WeakPolarHBondContact CA-O 3.25Å; F601-K613 HydrophobicContact CD1-CB 4.07Å; F601-K613 HydrophobicContact CE1-CB 3.73Å; F601-K613 HydrophobicContact CE1-CG 4.44Å; F601-K613 HydrophobicContact CZ-CB 4.19Å; F601-K613 HydrophobicContact CZ-CG 4.44Å; F601-Y671 CarbonylContact O-C 3.43Å; F601-Y671 WeakPolarHBondContact O-CA 3.38Å; F601-G672 PolarHBondContact N-O 2.94Å; F601-G672 PolarHBondContact O-N 2.65Å; F601-N674 HydrophobicContact CD2-CB 3.79Å; F601-N674 HydrophobicContact CE2-CB 3.67Å
602	A	94.2	Very high	84.7	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	135.4	178.9	0	0	0	0	0	111.1	E604 T612 K614 Y671	A602-E604 HydrophobicContact CB-CG 4.14Å; A602-T612 PolarHBondContact N-O 3.4Å; A602-T612 PolarHBondContact O-N 3.47Å; A602-T612 PolarHBondContact O-OG1 3.1Å; A602-K614 HydrophobicContact CB-CD 4.47Å; A602-K614 HydrophobicContact CB-CG 3.78Å; A602-Y671 HydrophobicContact CB-CD1 3.87Å; A602-Y671 HydrophobicContact CB-CE1 3.9Å
603	A	93	Very high	86.4	Confident	9 Å²	9	66 Å²	66	7%	0.074	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	73.7	176.2	0	0	0	0	0	110.2	W611 V670	A603-W611 HydrophobicContact CB-CD2 4.49Å; A603-W611 HydrophobicContact CB-CE3 4.08Å; A603-W611 HydrophobicContact CB-CZ3 4.19Å; A603-V670 HydrophobicContact CB-CB 4.42Å; A603-V670 PolarHBondContact N-O 2.78Å
604	E	85.8	Confident	88.1	Confident	64 Å²	64	66.2 Å²	66.2	30%	0.299	34%	0.335	S	S	.	.			trans	-81.5	152	-171.7	-74.1	172.1	-172.8	0	0	113.4	A602 S607 R608 K614 C669	A602-E604 HydrophobicContact CB-CG 4.14Å; E604-S607 CarbonylContact O-C 3.54Å; E604-S607 VanDerWaalsContact O-C 3.26Å; E604-S607 PolarHBondContact O-N 2.67Å; E604-R608 PolarHBondContact O-N 3.05Å; E604-K614 VanDerWaalsContact CD-CE 3.5Å; E604-K614 WeakPolarHBondContact OE1-CE 3.3Å; E604-K614 IonicContact OE1-NZ 3.25Å; E604-K614 PolarHBondContact OE1-NZ 3.43Å; E604-K614 IonicContact OE2-NZ 2.73Å; E604-K614 PolarHBondContact OE2-NZ 3.44Å; E604-C669 HydrophobicContact CG-CB 4.02Å
605	P	80.6	Confident	89.1	Confident	73 Å²	73	67.7 Å²	67.7	47%	0.474	34%	0.341	S	S	.	.	S	Bend	trans	-60.9	141.8	167.3	-17.4	30.9	0	0	0	111.4
606	P	79.7	Confident	89.4	Confident	131 Å²	131	67.7 Å²	67.7	85%	0.851	34%	0.339	S	S	*	.	S	Bend	cis	-81.7	-29.5	5.7	31.5	-34.9	0	0	0	114.4	R608	P606-R608 VanDerWaalsContact C-N 3.31Å; P606-R608 PolarHBondContact O-N 3.28Å
607	S	71.8	Confident	89.6	Confident	41 Å²	41	67.3 Å²	67.3	29%	0.287	34%	0.337	S	S	.	.			trans	-82.7	64.8	-172.2	54.6	0	0	0	0	113.2	E604 D609 Q610	E604-S607 CarbonylContact O-C 3.54Å; E604-S607 VanDerWaalsContact O-C 3.26Å; E604-S607 PolarHBondContact O-N 2.67Å; S607-D609 VanDerWaalsContact C-OD1 3.22Å; S607-D609 VanDerWaalsContact CA-OD1 3.23Å; S607-D609 WeakPolarHBondContact CA-OD1 3.39Å; S607-D609 PolarHBondContact O-N 3.28Å; S607-D609 VanDerWaalsContact O-N 3.1Å; S607-Q610 PolarHBondContact O-N 3.41Å; S607-Q610 VanDerWaalsContact O-N 3.09Å
608	R	81.3	Confident	89.7	Confident	186 Å²	186	65.2 Å²	65.2	70%	0.702	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-9.4	175.5	-70.4	179.8	169.1	177.6	-4.7	114.1	E604 P606	E604-R608 PolarHBondContact O-N 3.05Å; P606-R608 VanDerWaalsContact C-N 3.31Å; P606-R608 PolarHBondContact O-N 3.28Å
609	D	83.9	Confident	89.7	Confident	125 Å²	125	65.1 Å²	65.1	67%	0.668	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-9.9	174.9	60.3	-52.3	0	0	0	113.6	S607	S607-D609 VanDerWaalsContact C-OD1 3.22Å; S607-D609 VanDerWaalsContact CA-OD1 3.23Å; S607-D609 WeakPolarHBondContact CA-OD1 3.39Å; S607-D609 PolarHBondContact O-N 3.28Å; S607-D609 VanDerWaalsContact O-N 3.1Å
610	Q	87	Confident	89.5	Confident	115 Å²	115	62.7 Å²	62.7	54%	0.537	32%	0.317	S	S	.	.	S	Bend	trans	-127.6	134.6	-172	-67.2	173.5	44.4	0	0	112.6	S607	S607-Q610 PolarHBondContact O-N 3.41Å; S607-Q610 VanDerWaalsContact O-N 3.09Å
611	W	90.6	Very high	89.2	Confident	101 Å²	101	63.1 Å²	63.1	38%	0.383	32%	0.319	S	S	.	.			trans	-86.1	114.5	176.6	-72.5	109.6	0	0	0	111	F601 A603 L657 A663 V670	F601-W611 HydrophobicContact CB-CB 4.39Å; F601-W611 HydrophobicContact CB-CD2 4.38Å; F601-W611 HydrophobicContact CB-CE3 3.73Å; F601-W611 HydrophobicContact CB-CZ3 4.36Å; F601-W611 HydrophobicContact CD1-CB 3.98Å; A603-W611 HydrophobicContact CB-CD2 4.49Å; A603-W611 HydrophobicContact CB-CE3 4.08Å; A603-W611 HydrophobicContact CB-CZ3 4.19Å; W611-L657 HydrophobicContact CZ2-CD1 3.79Å; W611-A663 HydrophobicContact CH2-CB 4.16Å; W611-A663 HydrophobicContact CZ2-CB 4.43Å; W611-V670 HydrophobicContact CH2-CB 4.41Å; W611-V670 HydrophobicContact CH2-CG1 3.88Å; W611-V670 WeakPolarHBondContact CZ3-O 3.33Å
612	T	91.7	Very high	88.8	Confident	52 Å²	52	63 Å²	63	32%	0.319	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.2	173.9	64.1	0	0	0	0	110.5	F601 A602 K614	F601-T612 CarbonylContact C-O 3.58Å; F601-T612 VanDerWaalsContact CA-O 3.22Å; F601-T612 WeakPolarHBondContact CA-O 3.25Å; A602-T612 PolarHBondContact N-O 3.4Å; A602-T612 PolarHBondContact O-N 3.47Å; A602-T612 PolarHBondContact O-OG1 3.1Å; T612-K614 VanDerWaalsContact OG1-CE 3.27Å; T612-K614 WeakPolarHBondContact OG1-CE 3.43Å
613	K	94.4	Very high	88.4	Confident	115 Å²	115	66.8 Å²	66.8	50%	0.5	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	128.6	173.3	-177.9	177.9	173.8	178.6	0	109.2	F601	F601-K613 HydrophobicContact CD1-CB 4.07Å; F601-K613 HydrophobicContact CE1-CB 3.73Å; F601-K613 HydrophobicContact CE1-CG 4.44Å; F601-K613 HydrophobicContact CZ-CB 4.19Å; F601-K613 HydrophobicContact CZ-CG 4.44Å
614	K	93.5	Very high	87.8	Confident	77 Å²	77	67.7 Å²	67.7	34%	0.335	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-57.6	-177.5	-66.4	-73.3	171.7	160.6	0	112.3	L600 A602 E604 T612	L600-K614 HydrophobicContact CD2-CB 4.16Å; L600-K614 HydrophobicContact CG-CB 4.35Å; L600-K614 PolarHBondContact O-N 3.23Å; A602-K614 HydrophobicContact CB-CD 4.47Å; A602-K614 HydrophobicContact CB-CG 3.78Å; E604-K614 VanDerWaalsContact CD-CE 3.5Å; E604-K614 WeakPolarHBondContact OE1-CE 3.3Å; E604-K614 IonicContact OE1-NZ 3.25Å; E604-K614 PolarHBondContact OE1-NZ 3.43Å; E604-K614 IonicContact OE2-NZ 2.73Å; E604-K614 PolarHBondContact OE2-NZ 3.44Å; T612-K614 VanDerWaalsContact OG1-CE 3.27Å; T612-K614 WeakPolarHBondContact OG1-CE 3.43Å
615	H	93.4	Very high	87.4	Confident	69 Å²	69	72.5 Å²	72.5	32%	0.319	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	164.4	-174.3	-61.8	-61.4	0	0	0	111.5	Q599 L600 M634 L643	Q599-H615 WeakPolarHBondContact CA-O 3.29Å; L600-H615 HydrophobicContact CB-CB 4.41Å; L600-H615 PolarHBondContact N-O 2.78Å; H615-M634 HydrophobicContact CB-SD 3.57Å; H615-M634 VanDerWaalsContact CB-SD 3.57Å; H615-L643 HydrophobicContact CB-CB 4.47Å; H615-L643 HydrophobicContact CB-CD1 4.18Å
616	V	93.9	Very high	87	Confident	66 Å²	66	74 Å²	74	40%	0.4	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132.2	166.1	-172.7	0	0	0	0	106.7	V598 Q599	V598-V616 WeakPolarHBondContact O-CA 3.41Å; Q599-V616 HydrophobicContact CB-CG2 4.43Å; Q599-V616 HydrophobicContact CG-CG1 4.36Å; Q599-V616 HydrophobicContact CG-CG2 4.07Å
617	G	93.1	Very high	87	Confident	1 Å²	1	70.4 Å²	70.4	1%	0.01	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178	-174.5	-176	0	0	0	0	0	113.2	V598 Y635	V598-G617 PolarHBondContact N-O 3.4Å; V598-G617 PolarHBondContact O-N 3.22Å; V598-G617 VanDerWaalsContact O-N 3.09Å; G617-Y635 CarbonylContact C-O 3.47Å; G617-Y635 VanDerWaalsContact CA-O 3.26Å; G617-Y635 WeakPolarHBondContact CA-O 3.5Å
618	V	94.2	Very high	87.3	Confident	36 Å²	36	76.2 Å²	76.2	22%	0.218	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	108.4	176.7	-174.4	0	0	0	0	108.4	C595 S596 I597 M634 Y635 I637	C595-V618 HydrophobicContact CB-CG1 3.82Å; S596-V618 CarbonylContact O-C 3.57Å; S596-V618 WeakPolarHBondContact O-CA 3.22Å; I597-V618 HydrophobicContact CG1-CG2 4.33Å; V618-M634 CarbonylContact O-C 3.58Å; V618-M634 WeakPolarHBondContact O-CA 3.3Å; V618-Y635 PolarHBondContact N-O 3.44Å; V618-Y635 PolarHBondContact O-N 2.77Å; V618-I637 HydrophobicContact CG2-CB 4.34Å; V618-I637 HydrophobicContact CG2-CD1 4.06Å; V618-I637 HydrophobicContact CG2-CG1 4.09Å
619	V	94.5	Very high	87.4	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	131	170.8	70.6	0	0	0	0	109.6	C595 S596 V598 L632 R633 M634 W644 L673 F684	C595-V619 CarbonylContact C-O 3.5Å; C595-V619 WeakPolarHBondContact CA-O 3.48Å; S596-V619 PolarHBondContact N-O 3.17Å; S596-V619 PolarHBondContact O-N 3.3Å; V598-V619 HydrophobicContact CB-CG1 4.33Å; V598-V619 HydrophobicContact CG1-CG1 3.84Å; V598-V619 HydrophobicContact CG2-CB 3.83Å; V598-V619 HydrophobicContact CG2-CG1 3.48Å; V598-V619 VanDerWaalsContact CG2-CG1 3.48Å; V619-L632 HydrophobicContact CG2-CB 4.38Å; V619-R633 CarbonylContact C-O 3.6Å; V619-R633 WeakPolarHBondContact CA-O 3.39Å; V619-M634 HydrophobicContact CB-CE 4.32Å; V619-W644 HydrophobicContact CG2-CZ3 4.24Å; V619-L673 HydrophobicContact CG1-CD1 4.34Å; V619-L673 HydrophobicContact CG2-CD1 4.37Å; V619-L673 HydrophobicContact CG2-CD2 4.41Å; V619-F684 HydrophobicContact CG1-CE2 3.87Å; V619-F684 HydrophobicContact CG1-CZ 3.85Å; V619-F684 HydrophobicContact CG2-CZ 4.33Å
620	C	92	Very high	87.6	Confident	15 Å²	15	64 Å²	64	10%	0.101	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	140.9	-179.9	-70.4	0	0	0	0	111.4	L594 C595 V622 R633	L594-C620 WeakPolarHBondContact O-CA 3.28Å; C595-C620 HydrophobicContact CB-CB 4.17Å; C595-C620 WeakPolarHBondContact CB-SG 3.44Å; C595-C620 WeakPolarHBondContact SG-CB 3.29Å; C595-C620 CovalentContact SG-SG 2.04Å; C595-C620 PolarHBondContact SG-SG 2.85Å; C620-V622 HydrophobicContact CB-CG2 3.76Å; C620-V622 PolarHBondContact O-N 3.19Å; C620-R633 PolarHBondContact N-O 2.78Å; C620-R633 PolarHBondContact O-N 3.16Å
621	L	89.8	Confident	87.8	Confident	10 Å²	10	59.5 Å²	59.5	5%	0.052	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	94.9	167.9	176.7	55.2	0	0	0	110	L594 L632 M648 K691	L594-L621 PolarHBondContact O-N 3.14Å; L621-L632 HydrophobicContact CB-CD2 4.5Å; L621-L632 HydrophobicContact CD1-CD2 4.14Å; L621-M648 HydrophobicContact CD1-SD 3.43Å; L621-M648 WeakPolarHBondContact CD1-SD 3.44Å; L621-K691 HydrophobicContact CD2-CB 4.1Å; L621-K691 HydrophobicContact CD2-CD 3.99Å; L621-K691 HydrophobicContact CD2-CG 4.02Å
622	V	87.6	Confident	87.9	Confident	37 Å²	37	54.7 Å²	54.7	22%	0.224	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	145.5	-172.9	-176.1	0	0	0	0	111.2	C620 Y630 F631 R633	C620-V622 HydrophobicContact CB-CG2 3.76Å; C620-V622 PolarHBondContact O-N 3.19Å; V622-Y630 CarbonylContact O-C 3.57Å; V622-Y630 WeakPolarHBondContact O-CA 3.4Å; V622-F631 PolarHBondContact N-O 3.09Å; V622-F631 PolarHBondContact O-N 3.3Å; V622-R633 HydrophobicContact CG2-CB 4.13Å; V622-R633 HydrophobicContact CG2-CG 4.46Å
623	K	84.2	Confident	88	Confident	80 Å²	80	54 Å²	54	35%	0.348	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	111.6	173.6	-175.7	-178.1	178.3	-175.1	0	110.6	Y625 Y630	K623-Y625 HydrophobicContact CB-CE2 4.41Å; K623-Y625 HydrophobicContact CD-CE1 4.36Å; K623-Y625 HydrophobicContact CD-CE2 3.88Å; K623-Y625 HydrophobicContact CG-CD2 4.45Å; K623-Y625 HydrophobicContact CG-CE2 4.11Å; K623-Y625 PolarHBondContact NZ-OH 3.13Å; K623-Y625 WeakPolarHBondContact O-CD2 3.33Å; K623-Y625 PolarHBondContact O-N 3.04Å; K623-Y630 HydrophobicContact CB-CD1 3.7Å; K623-Y630 HydrophobicContact CB-CE1 3.6Å; K623-Y630 HydrophobicContact CD-CD1 4.45Å; K623-Y630 HydrophobicContact CD-CE1 3.61Å; K623-Y630 HydrophobicContact CG-CD1 3.87Å; K623-Y630 HydrophobicContact CG-CE1 3.51Å
624	D	81	Confident	88.1	Confident	27 Å²	27	48.5 Å²	48.5	14%	0.144	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	106.7	179.3	-158.3	-61	0	0	0	110.4	S626 A627 H628 G629 F631 R633	D624-S626 VanDerWaalsContact C-N 3.26Å; D624-S626 PolarHBondContact O-N 3.05Å; D624-S626 WeakPolarHBondContact OD1-CA 3.4Å; D624-S626 VanDerWaalsContact OD1-CB 3.26Å; D624-S626 WeakPolarHBondContact OD1-CB 3.22Å; D624-S626 PolarHBondContact OD1-N 3.48Å; D624-S626 PolarHBondContact OD1-OG 3.33Å; D624-A627 HydrophobicContact CB-CB 4.11Å; D624-A627 PolarHBondContact OD1-N 3.35Å; D624-H628 WeakPolarHBondContact O-CA 3.41Å; D624-H628 PolarHBondContact O-N 2.96Å; D624-G629 PolarHBondContact N-O 2.72Å; D624-G629 PolarHBondContact O-N 3.45Å; D624-F631 HydrophobicContact CB-CD2 3.69Å; D624-F631 HydrophobicContact CB-CE2 3.59Å; D624-R633 IonicContact OD2-CZ 3.15Å; D624-R633 IonicContact OD2-NH1 3.69Å; D624-R633 PolarHBondContact OD2-NH1 3.13Å; D624-R633 IonicContact OD2-NH2 3.36Å; D624-R633 PolarHBondContact OD2-NH2 2.91Å
625	Y	76.5	Confident	88.1	Confident	165 Å²	165	48.4 Å²	48.4	65%	0.647	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-24.7	-179.7	-74.1	-95.6	0	0	0	112.6	K623 H628	K623-Y625 HydrophobicContact CB-CE2 4.41Å; K623-Y625 HydrophobicContact CD-CE1 4.36Å; K623-Y625 HydrophobicContact CD-CE2 3.88Å; K623-Y625 HydrophobicContact CG-CD2 4.45Å; K623-Y625 HydrophobicContact CG-CE2 4.11Å; K623-Y625 PolarHBondContact NZ-OH 3.13Å; K623-Y625 WeakPolarHBondContact O-CD2 3.33Å; K623-Y625 PolarHBondContact O-N 3.04Å; Y625-H628 PolarHBondContact O-CE1 2.79Å; Y625-H628 PolarHBondContact O-ND1 2.95Å
626	S	74.1	Confident	87.9	Confident	105 Å²	105	46.9 Å²	46.9	73%	0.734	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-50.5	178.2	3.6	0	0	0	0	111.3	D624 H628	D624-S626 VanDerWaalsContact C-N 3.26Å; D624-S626 PolarHBondContact O-N 3.05Å; D624-S626 WeakPolarHBondContact OD1-CA 3.4Å; D624-S626 VanDerWaalsContact OD1-CB 3.26Å; D624-S626 WeakPolarHBondContact OD1-CB 3.22Å; D624-S626 PolarHBondContact OD1-N 3.48Å; D624-S626 PolarHBondContact OD1-OG 3.33Å; S626-H628 PolarHBondContact O-N 3.22Å
627	A	78.4	Confident	87.4	Confident	56 Å²	56	48.9 Å²	48.9	46%	0.463	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-2.4	174.9	0	0	0	0	0	113.6	D624 G629 F631	D624-A627 HydrophobicContact CB-CB 4.11Å; D624-A627 PolarHBondContact OD1-N 3.35Å; A627-G629 PolarHBondContact O-N 2.85Å; A627-G629 VanDerWaalsContact O-N 3.17Å; A627-F631 HydrophobicContact CB-CE2 3.85Å; A627-F631 HydrophobicContact CB-CZ 3.9Å
628	H	78.6	Confident	86.8	Confident	162 Å²	162	54.6 Å²	54.6	75%	0.75	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	16	178.3	-62.1	-16.1	0	0	0	115.9	D624 Y625 S626	D624-H628 WeakPolarHBondContact O-CA 3.41Å; D624-H628 PolarHBondContact O-N 2.96Å; Y625-H628 PolarHBondContact O-CE1 2.79Å; Y625-H628 PolarHBondContact O-ND1 2.95Å; S626-H628 PolarHBondContact O-N 3.22Å
629	G	84	Confident	86.2	Confident	11 Å²	11	57.5 Å²	57.5	11%	0.113	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	-169.8	-173.4	0	0	0	0	0	115	D624 A627	D624-G629 PolarHBondContact N-O 2.72Å; D624-G629 PolarHBondContact O-N 3.45Å; A627-G629 PolarHBondContact O-N 2.85Å; A627-G629 VanDerWaalsContact O-N 3.17Å
630	Y	87.6	Confident	85.5	Confident	43 Å²	43	59.9 Å²	59.9	17%	0.169	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	147.8	168.3	-65.9	-89.4	0	0	0	109.1	V622 K623 M648 K691 L695	V622-Y630 CarbonylContact O-C 3.57Å; V622-Y630 WeakPolarHBondContact O-CA 3.4Å; K623-Y630 HydrophobicContact CB-CD1 3.7Å; K623-Y630 HydrophobicContact CB-CE1 3.6Å; K623-Y630 HydrophobicContact CD-CD1 4.45Å; K623-Y630 HydrophobicContact CD-CE1 3.61Å; K623-Y630 HydrophobicContact CG-CD1 3.87Å; K623-Y630 HydrophobicContact CG-CE1 3.51Å; Y630-M648 WeakPolarHBondContact O-CB 3.47Å; Y630-M648 PolarHBondContact O-N 2.77Å; Y630-K691 HydrophobicContact CD1-CG 4.33Å; Y630-K691 HydrophobicContact CE1-CG 4.19Å; Y630-L695 HydrophobicContact CD2-CD1 4.09Å; Y630-L695 HydrophobicContact CD2-CD2 3.94Å; Y630-L695 HydrophobicContact CD2-CG 4.33Å; Y630-L695 HydrophobicContact CE2-CD2 3.86Å; Y630-L695 HydrophobicContact CE2-CG 4.37Å
631	F	91.2	Very high	85.2	Confident	22 Å²	22	66 Å²	66	10%	0.096	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	142.3	-176.5	-69	-105.7	0	0	0	109.1	V622 D624 A627 R633 Q646 F647	V622-F631 PolarHBondContact N-O 3.09Å; V622-F631 PolarHBondContact O-N 3.3Å; D624-F631 HydrophobicContact CB-CD2 3.69Å; D624-F631 HydrophobicContact CB-CE2 3.59Å; A627-F631 HydrophobicContact CB-CE2 3.85Å; A627-F631 HydrophobicContact CB-CZ 3.9Å; F631-R633 HydrophobicContact CB-CG 4.02Å; F631-Q646 CarbonylContact C-O 3.6Å; F631-Q646 VanDerWaalsContact CA-O 3.3Å; F631-Q646 WeakPolarHBondContact CA-O 3.5Å; F631-F647 HydrophobicContact CD1-CB 4.4Å; F631-F647 HydrophobicContact CD1-CD2 4.48Å; F631-F647 HydrophobicContact CD2-CD2 4.49Å; F631-F647 HydrophobicContact CE1-CB 4.16Å; F631-F647 AromaticContact CE1-CD2 3.95Å; F631-F647 HydrophobicContact CE1-CD2 3.95Å; F631-F647 AromaticContact CE2-CD2 3.93Å; F631-F647 HydrophobicContact CE2-CD2 3.93Å; F631-F647 HydrophobicContact CE2-CE2 4.38Å; F631-F647 AromaticContact CZ-CD2 3.65Å; F631-F647 HydrophobicContact CZ-CD2 3.65Å; F631-F647 HydrophobicContact CZ-CE2 4.33Å
632	L	93.3	Very high	85.3	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	124	155.9	-60.3	177.9	0	0	0	106.5	V619 L621 W644 E645 Q646 F652 F664 L673 F684 L688	V619-L632 HydrophobicContact CG2-CB 4.38Å; L621-L632 HydrophobicContact CB-CD2 4.5Å; L621-L632 HydrophobicContact CD1-CD2 4.14Å; L632-W644 HydrophobicContact CB-CH2 3.97Å; L632-W644 HydrophobicContact CB-CZ3 3.8Å; L632-W644 HydrophobicContact CD1-CH2 4.37Å; L632-E645 CarbonylContact O-C 3.59Å; L632-E645 WeakPolarHBondContact O-CA 3.49Å; L632-Q646 PolarHBondContact N-O 3.23Å; L632-Q646 PolarHBondContact O-N 3.36Å; L632-F652 HydrophobicContact CD1-CZ 4.03Å; L632-F664 HydrophobicContact CD1-CE1 3.86Å; L632-F664 HydrophobicContact CD1-CE2 4.3Å; L632-F664 HydrophobicContact CD1-CZ 3.7Å; L632-L673 HydrophobicContact CD1-CD1 4.47Å; L632-F684 HydrophobicContact CD2-CE1 4.35Å; L632-F684 HydrophobicContact CD2-CZ 4.07Å; L632-L688 HydrophobicContact CD2-CD1 4.16Å
633	R	93.8	Very high	85.5	Confident	36 Å²	36	70.4 Å²	70.4	14%	0.136	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.9	178.4	-73.1	-172.7	166.3	143.8	3.1	109.6	V619 C620 V622 D624 F631 Y635 L642 E645	V619-R633 CarbonylContact C-O 3.6Å; V619-R633 WeakPolarHBondContact CA-O 3.39Å; C620-R633 PolarHBondContact N-O 2.78Å; C620-R633 PolarHBondContact O-N 3.16Å; V622-R633 HydrophobicContact CG2-CB 4.13Å; V622-R633 HydrophobicContact CG2-CG 4.46Å; D624-R633 IonicContact OD2-CZ 3.15Å; D624-R633 IonicContact OD2-NH1 3.69Å; D624-R633 PolarHBondContact OD2-NH1 3.13Å; D624-R633 IonicContact OD2-NH2 3.36Å; D624-R633 PolarHBondContact OD2-NH2 2.91Å; F631-R633 HydrophobicContact CB-CG 4.02Å; R633-Y635 HydrophobicContact CB-CE2 3.66Å; R633-Y635 WeakPolarHBondContact CD-OH 3.38Å; R633-L642 HydrophobicContact CB-CD1 3.75Å; R633-L642 HydrophobicContact CG-CD1 3.99Å; R633-E645 HydrophobicContact CG-CB 3.87Å; R633-E645 IonicContact CZ-OE2 3.77Å; R633-E645 IonicContact NE-OE2 3.7Å; R633-E645 PolarHBondContact NE-OE2 3.37Å; R633-E645 IonicContact NH2-OE2 3.38Å; R633-E645 PolarHBondContact NH2-OE2 3.42Å
634	M	95.1	Very high	86	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	128.9	175.6	177.7	174	-75.5	0	0	110.6	V598 L600 H615 V618 V619 L643 W644	V598-M634 HydrophobicContact CG2-CE 3.37Å; L600-M634 HydrophobicContact CB-CE 3.83Å; L600-M634 HydrophobicContact CB-SD 4.19Å; H615-M634 HydrophobicContact CB-SD 3.57Å; H615-M634 VanDerWaalsContact CB-SD 3.57Å; V618-M634 CarbonylContact O-C 3.58Å; V618-M634 WeakPolarHBondContact O-CA 3.3Å; V619-M634 HydrophobicContact CB-CE 4.32Å; M634-L643 HydrophobicContact CG-CB 4.35Å; M634-L643 HydrophobicContact CG-CD1 4.48Å; M634-L643 PolarHBondContact O-N 2.87Å; M634-W644 HydrophobicContact CB-CB 4.28Å; M634-W644 HydrophobicContact CB-CE3 3.96Å; M634-W644 PolarHBondContact N-O 3.1Å; M634-W644 PolarHBondContact O-N 3.46Å
635	Y	93.8	Very high	86.6	Confident	75 Å²	75	70.5 Å²	70.5	29%	0.294	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	142.1	178	-62.3	-87	0	0	0	111.6	G617 V618 R633 I637 F641 L642	G617-Y635 CarbonylContact C-O 3.47Å; G617-Y635 VanDerWaalsContact CA-O 3.26Å; G617-Y635 WeakPolarHBondContact CA-O 3.5Å; V618-Y635 PolarHBondContact N-O 3.44Å; V618-Y635 PolarHBondContact O-N 2.77Å; R633-Y635 HydrophobicContact CB-CE2 3.66Å; R633-Y635 WeakPolarHBondContact CD-OH 3.38Å; Y635-I637 PolarHBondContact O-N 2.85Å; Y635-F641 CarbonylContact C-O 3.51Å; Y635-F641 VanDerWaalsContact CA-O 3.29Å; Y635-F641 WeakPolarHBondContact CA-O 3.49Å; Y635-L642 HydrophobicContact CD1-CB 4.34Å; Y635-L642 HydrophobicContact CD1-CD1 4.27Å; Y635-L642 HydrophobicContact CE1-CB 4.12Å; Y635-L642 HydrophobicContact CE1-CD1 3.81Å; Y635-L642 HydrophobicContact CE2-CD1 4.4Å
636	D	88.9	Confident	87.5	Confident	37 Å²	37	62.7 Å²	62.7	20%	0.198	34%	0.34	C	S	.	.			trans	-64.7	127.9	169.1	-172.9	-84.3	0	0	0	109.9	T638 N639 G640 F641 L643	D636-T638 VanDerWaalsContact C-N 3.29Å; D636-T638 PolarHBondContact O-N 2.92Å; D636-T638 WeakPolarHBondContact OD1-CA 3.41Å; D636-T638 WeakPolarHBondContact OD1-CB 3.45Å; D636-T638 PolarHBondContact OD1-N 2.71Å; D636-N639 HydrophobicContact CB-CB 4.42Å; D636-N639 WeakPolarHBondContact OD1-CB 3.24Å; D636-N639 PolarHBondContact OD1-N 3.02Å; D636-N639 PolarHBondContact OD1-ND2 2.91Å; D636-G640 VanDerWaalsContact O-CA 3.25Å; D636-G640 WeakPolarHBondContact O-CA 3.25Å; D636-G640 PolarHBondContact O-N 2.81Å; D636-F641 PolarHBondContact N-O 3.3Å; D636-L643 HydrophobicContact CB-CD1 3.88Å; D636-L643 HydrophobicContact CB-CD2 4.12Å; D636-L643 HydrophobicContact CB-CG 3.95Å
637	I	83.7	Confident	88.3	Confident	109 Å²	109	61.6 Å²	61.6	56%	0.559	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-18.9	-173.7	-162.2	166.4	0	0	0	113.4	I597 V618 Y635	I597-I637 HydrophobicContact CD1-CD1 3.91Å; I597-I637 HydrophobicContact CG1-CD1 4.38Å; V618-I637 HydrophobicContact CG2-CB 4.34Å; V618-I637 HydrophobicContact CG2-CD1 4.06Å; V618-I637 HydrophobicContact CG2-CG1 4.09Å; Y635-I637 PolarHBondContact O-N 2.85Å
638	T	80.8	Confident	88.8	Confident	121 Å²	121	59.2 Å²	59.2	74%	0.742	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-41.1	-176.7	-50.4	0	0	0	0	111.2	D636	D636-T638 VanDerWaalsContact C-N 3.29Å; D636-T638 PolarHBondContact O-N 2.92Å; D636-T638 WeakPolarHBondContact OD1-CA 3.41Å; D636-T638 WeakPolarHBondContact OD1-CB 3.45Å; D636-T638 PolarHBondContact OD1-N 2.71Å
639	N	80.6	Confident	89.2	Confident	97 Å²	97	54.8 Å²	54.8	52%	0.519	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-17.3	-170.7	-55.9	-82.1	0	0	0	113.4	D636 F641	D636-N639 HydrophobicContact CB-CB 4.42Å; D636-N639 WeakPolarHBondContact OD1-CB 3.24Å; D636-N639 PolarHBondContact OD1-N 3.02Å; D636-N639 PolarHBondContact OD1-ND2 2.91Å; N639-F641 HydrophobicContact CB-CD2 3.49Å; N639-F641 VanDerWaalsContact CB-CD2 3.49Å; N639-F641 HydrophobicContact CB-CE2 3.62Å; N639-F641 HydrophobicContact CB-CG 4.15Å; N639-F641 HydrophobicContact CB-CZ 4.36Å; N639-F641 PolarHBondContact O-N 3.42Å
640	G	80.3	Confident	88.9	Confident	49 Å²	49	58.7 Å²	58.7	51%	0.505	30%	0.298	S	S	.	.			trans	74.6	2.2	-178.4	0	0	0	0	0	115.5	D636	D636-G640 VanDerWaalsContact O-CA 3.25Å; D636-G640 WeakPolarHBondContact O-CA 3.25Å; D636-G640 PolarHBondContact O-N 2.81Å
641	F	86	Confident	88.6	Confident	144 Å²	144	64.5 Å²	64.5	63%	0.632	33%	0.327	S	S	*	.			trans	-67.2	147	178.2	-59.1	-43.8	0	0	0	112.2	Y635 D636 N639 L643	Y635-F641 CarbonylContact C-O 3.51Å; Y635-F641 VanDerWaalsContact CA-O 3.29Å; Y635-F641 WeakPolarHBondContact CA-O 3.49Å; D636-F641 PolarHBondContact N-O 3.3Å; N639-F641 HydrophobicContact CB-CD2 3.49Å; N639-F641 VanDerWaalsContact CB-CD2 3.49Å; N639-F641 HydrophobicContact CB-CE2 3.62Å; N639-F641 HydrophobicContact CB-CG 4.15Å; N639-F641 HydrophobicContact CB-CZ 4.36Å; N639-F641 PolarHBondContact O-N 3.42Å; F641-L643 PolarHBondContact O-N 2.81Å
642	L	91	Very high	88.5	Confident	84 Å²	84	63.5 Å²	63.5	44%	0.44	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	114.2	171.6	-178.2	71.5	0	0	0	109.1	R633 Y635	R633-L642 HydrophobicContact CB-CD1 3.75Å; R633-L642 HydrophobicContact CG-CD1 3.99Å; Y635-L642 HydrophobicContact CD1-CB 4.34Å; Y635-L642 HydrophobicContact CD1-CD1 4.27Å; Y635-L642 HydrophobicContact CE1-CB 4.12Å; Y635-L642 HydrophobicContact CE1-CD1 3.81Å; Y635-L642 HydrophobicContact CE2-CD1 4.4Å
643	L	92.9	Very high	88.2	Confident	55 Å²	55	71.1 Å²	71.1	29%	0.288	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-36.6	-179.4	-65.8	177.9	0	0	0	112.7	H615 M634 D636 F641	H615-L643 HydrophobicContact CB-CB 4.47Å; H615-L643 HydrophobicContact CB-CD1 4.18Å; M634-L643 HydrophobicContact CG-CB 4.35Å; M634-L643 HydrophobicContact CG-CD1 4.48Å; M634-L643 PolarHBondContact O-N 2.87Å; D636-L643 HydrophobicContact CB-CD1 3.88Å; D636-L643 HydrophobicContact CB-CD2 4.12Å; D636-L643 HydrophobicContact CB-CG 3.95Å; F641-L643 PolarHBondContact O-N 2.81Å
644	W	94.9	Very high	88.1	Confident	25 Å²	25	69.5 Å²	69.5	10%	0.095	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	146.1	-175	167.6	89.2	0	0	0	110.6	L600 V619 L632 M634 Q646 F664 Y671	L600-W644 HydrophobicContact CD1-CD2 4.39Å; L600-W644 HydrophobicContact CD1-CH2 4.42Å; L600-W644 HydrophobicContact CD1-CZ2 4.17Å; L600-W644 HydrophobicContact CD2-CB 4Å; L600-W644 HydrophobicContact CD2-CD2 3.67Å; L600-W644 HydrophobicContact CD2-CE3 4.36Å; L600-W644 HydrophobicContact CD2-CG 3.49Å; L600-W644 VanDerWaalsContact CD2-CG 3.49Å; V619-W644 HydrophobicContact CG2-CZ3 4.24Å; L632-W644 HydrophobicContact CB-CH2 3.97Å; L632-W644 HydrophobicContact CB-CZ3 3.8Å; L632-W644 HydrophobicContact CD1-CH2 4.37Å; M634-W644 HydrophobicContact CB-CB 4.28Å; M634-W644 HydrophobicContact CB-CE3 3.96Å; M634-W644 PolarHBondContact N-O 3.1Å; M634-W644 PolarHBondContact O-N 3.46Å; W644-Q646 HydrophobicContact CH2-CB 3.53Å; W644-Q646 HydrophobicContact CH2-CG 4.48Å; W644-Q646 HydrophobicContact CZ2-CB 3.39Å; W644-Q646 HydrophobicContact CZ2-CG 4.31Å; W644-Q646 HydrophobicContact CZ3-CB 4.39Å; W644-F664 HydrophobicContact CH2-CE2 4.24Å; W644-F664 AromaticContact CH2-CZ 3.82Å; W644-F664 HydrophobicContact CH2-CZ 3.82Å; W644-F664 HydrophobicContact CZ2-CE2 4.31Å; W644-F664 HydrophobicContact CZ2-CZ 4.23Å; W644-Y671 HydrophobicContact CZ2-CD1 4.36Å; W644-Y671 HydrophobicContact CZ2-CD2 4.01Å; W644-Y671 HydrophobicContact CZ2-CE2 4.25Å; W644-Y671 HydrophobicContact CZ2-CG 4.07Å; W644-Y671 AromaticContact NE1-CE1 3.6Å; W644-Y671 AromaticContact NE1-CZ 3.54Å
645	E	94.2	Very high	87.9	Confident	84 Å²	84	72 Å²	72	39%	0.393	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	153.5	167.3	70.1	174.3	173.7	0	0	112.7	L632 R633	L632-E645 CarbonylContact O-C 3.59Å; L632-E645 WeakPolarHBondContact O-CA 3.49Å; R633-E645 HydrophobicContact CG-CB 3.87Å; R633-E645 IonicContact CZ-OE2 3.77Å; R633-E645 IonicContact NE-OE2 3.7Å; R633-E645 PolarHBondContact NE-OE2 3.37Å; R633-E645 IonicContact NH2-OE2 3.38Å; R633-E645 PolarHBondContact NH2-OE2 3.42Å
646	Q	93.9	Very high	87.8	Confident	2 Å²	2	72.3 Å²	72.3	1%	0.009	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	131.8	174.3	170.2	62.4	59	0	0	109.5	F631 L632 W644 F652 F664 D667	F631-Q646 CarbonylContact C-O 3.6Å; F631-Q646 VanDerWaalsContact CA-O 3.3Å; F631-Q646 WeakPolarHBondContact CA-O 3.5Å; L632-Q646 PolarHBondContact N-O 3.23Å; L632-Q646 PolarHBondContact O-N 3.36Å; W644-Q646 HydrophobicContact CH2-CB 3.53Å; W644-Q646 HydrophobicContact CH2-CG 4.48Å; W644-Q646 HydrophobicContact CZ2-CB 3.39Å; W644-Q646 HydrophobicContact CZ2-CG 4.31Å; W644-Q646 HydrophobicContact CZ3-CB 4.39Å; Q646-F652 HydrophobicContact CG-CE2 4.49Å; Q646-F664 HydrophobicContact CG-CE2 4.1Å; Q646-D667 PolarHBondContact NE2-OD1 3.44Å; Q646-D667 PolarHBondContact NE2-OD2 3.3Å
647	F	91.1	Very high	87.7	Confident	82 Å²	82	75.2 Å²	75.2	36%	0.36	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	138.4	175.7	177.9	-106.4	0	0	0	111.7	F631 F649	F631-F647 HydrophobicContact CD1-CB 4.4Å; F631-F647 HydrophobicContact CD1-CD2 4.48Å; F631-F647 HydrophobicContact CD2-CD2 4.49Å; F631-F647 HydrophobicContact CE1-CB 4.16Å; F631-F647 AromaticContact CE1-CD2 3.95Å; F631-F647 HydrophobicContact CE1-CD2 3.95Å; F631-F647 AromaticContact CE2-CD2 3.93Å; F631-F647 HydrophobicContact CE2-CD2 3.93Å; F631-F647 HydrophobicContact CE2-CE2 4.38Å; F631-F647 AromaticContact CZ-CD2 3.65Å; F631-F647 HydrophobicContact CZ-CD2 3.65Å; F631-F647 HydrophobicContact CZ-CE2 4.33Å; F647-F649 HydrophobicContact CD1-CB 4.29Å; F647-F649 HydrophobicContact CE1-CB 4.23Å; F647-F649 PolarHBondContact O-N 3.43Å
648	M	89.9	Confident	87.8	Confident	6 Å²	6	73.2 Å²	73.2	3%	0.03	37%	0.373	C	S	.	.			trans	-89.6	100.7	172.1	-65.5	-175.8	71.6	0	0	110.6	L621 Y630 F652 L688 V692	L621-M648 HydrophobicContact CD1-SD 3.43Å; L621-M648 WeakPolarHBondContact CD1-SD 3.44Å; Y630-M648 WeakPolarHBondContact O-CB 3.47Å; Y630-M648 PolarHBondContact O-N 2.77Å; M648-F652 HydrophobicContact CB-CD2 4.5Å; M648-F652 HydrophobicContact CB-CG 4.43Å; M648-F652 HydrophobicContact CE-CD1 3.79Å; M648-F652 HydrophobicContact CE-CE1 4.17Å; M648-F652 HydrophobicContact CE-CG 4.28Å; M648-F652 HydrophobicContact CG-CD2 4.38Å; M648-F652 HydrophobicContact CG-CG 4.41Å; M648-L688 HydrophobicContact CE-CD1 3.6Å; M648-L688 HydrophobicContact SD-CD1 4.17Å; M648-V692 HydrophobicContact CE-CG2 3.77Å
649	F	85.4	Confident	88.1	Confident	68 Å²	68	71.7 Å²	71.7	30%	0.298	36%	0.36	S	S	.	.			trans	-71.9	164.9	174.9	50.6	-89.3	0	0	0	113.1	F647 E651 F652	F647-F649 HydrophobicContact CD1-CB 4.29Å; F647-F649 HydrophobicContact CE1-CB 4.23Å; F647-F649 PolarHBondContact O-N 3.43Å; F649-E651 HydrophobicContact CD2-CB 4.39Å; F649-E651 PolarHBondContact O-N 3.33Å; F649-E651 VanDerWaalsContact O-N 3.11Å; F649-F652 HydrophobicContact CD1-CD2 4.12Å; F649-F652 HydrophobicContact CD2-CB 4.21Å; F649-F652 AromaticContact CE1-CD2 3.76Å; F649-F652 HydrophobicContact CE1-CD2 3.76Å; F649-F652 HydrophobicContact CE2-CB 4.24Å; F649-F652 HydrophobicContact CG-CB 4.35Å; F649-F652 HydrophobicContact CZ-CB 4.4Å; F649-F652 HydrophobicContact CZ-CD2 4.11Å; F649-F652 VanDerWaalsContact O-CB 3.25Å; F649-F652 WeakPolarHBondContact O-CB 3.25Å; F649-F652 PolarHBondContact O-N 3.35Å
650	D	79.1	Confident	88.6	Confident	93 Å²	93	70.9 Å²	70.9	50%	0.497	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.8	-172	-92.5	2.3	0	0	0	113.7	I699	D650-I699 HydrophobicContact CB-CD1 3.57Å; D650-I699 WeakPolarHBondContact OD1-CD1 3.42Å
651	E	80.9	Confident	89.2	Confident	165 Å²	165	69.6 Å²	69.6	77%	0.771	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	17.5	177.8	-58.5	-168.2	156.2	0	0	113.5	F649 Y653	F649-E651 HydrophobicContact CD2-CB 4.39Å; F649-E651 PolarHBondContact O-N 3.33Å; F649-E651 VanDerWaalsContact O-N 3.11Å; E651-Y653 PolarHBondContact O-N 3.19Å
652	F	88.6	Confident	89.6	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.009	30%	0.304	C	S	.	.			trans	-54	126.1	-177.5	-176.2	-83.4	0	0	0	112.3	L632 Q646 M648 F649 F664 L688 V692	L632-F652 HydrophobicContact CD1-CZ 4.03Å; Q646-F652 HydrophobicContact CG-CE2 4.49Å; M648-F652 HydrophobicContact CB-CD2 4.5Å; M648-F652 HydrophobicContact CB-CG 4.43Å; M648-F652 HydrophobicContact CE-CD1 3.79Å; M648-F652 HydrophobicContact CE-CE1 4.17Å; M648-F652 HydrophobicContact CE-CG 4.28Å; M648-F652 HydrophobicContact CG-CD2 4.38Å; M648-F652 HydrophobicContact CG-CG 4.41Å; F649-F652 HydrophobicContact CD1-CD2 4.12Å; F649-F652 HydrophobicContact CD2-CB 4.21Å; F649-F652 AromaticContact CE1-CD2 3.76Å; F649-F652 HydrophobicContact CE1-CD2 3.76Å; F649-F652 HydrophobicContact CE2-CB 4.24Å; F649-F652 HydrophobicContact CG-CB 4.35Å; F649-F652 HydrophobicContact CZ-CB 4.4Å; F649-F652 HydrophobicContact CZ-CD2 4.11Å; F649-F652 VanDerWaalsContact O-CB 3.25Å; F649-F652 WeakPolarHBondContact O-CB 3.25Å; F649-F652 PolarHBondContact O-N 3.35Å; F652-F664 HydrophobicContact CE2-CB 4.35Å; F652-F664 AromaticContact CE2-CD2 3.8Å; F652-F664 HydrophobicContact CE2-CD2 3.8Å; F652-F664 HydrophobicContact CE2-CE2 4.37Å; F652-F664 HydrophobicContact CE2-CG 4.07Å; F652-F664 HydrophobicContact CZ-CB 3.93Å; F652-F664 HydrophobicContact CZ-CD1 4.01Å; F652-F664 AromaticContact CZ-CD2 3.78Å; F652-F664 HydrophobicContact CZ-CD2 3.78Å; F652-F664 HydrophobicContact CZ-CE2 4.34Å; F652-F664 AromaticContact CZ-CG 3.62Å; F652-F664 HydrophobicContact CZ-CG 3.62Å; F652-L688 HydrophobicContact CE1-CD1 3.94Å; F652-L688 HydrophobicContact CE1-CD2 4.17Å; F652-L688 HydrophobicContact CE1-CG 4.22Å; F652-V692 HydrophobicContact CD1-CG2 3.86Å; F652-V692 VanDerWaalsContact O-CG1 3.24Å; F652-V692 WeakPolarHBondContact O-CG1 3.38Å; F652-V692 WeakPolarHBondContact O-CG2 3.45Å
653	Y	87.9	Confident	89.8	Confident	160 Å²	160	59.1 Å²	59.1	63%	0.627	29%	0.286	S	S	*	.			trans	-134.1	143.1	-175.9	173.1	-108.5	0	0	0	110.8	E651 T655 F664	E651-Y653 PolarHBondContact O-N 3.19Å; Y653-T655 WeakPolarHBondContact CE1-OG1 3.3Å; Y653-T655 VanDerWaalsContact CZ-OG1 3.3Å; Y653-T655 PolarHBondContact OH-OG1 3.49Å; Y653-F664 VanDerWaalsContact O-CB 3.23Å; Y653-F664 WeakPolarHBondContact O-CB 3.43Å
654	S	91.1	Very high	89.9	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.007	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	140.9	179	63.2	0	0	0	0	111.8	A663 K685	S654-A663 CarbonylContact C-O 3.54Å; S654-A663 WeakPolarHBondContact CA-O 3.28Å; S654-K685 WeakPolarHBondContact O-CE 3.37Å; S654-K685 PolarHBondContact O-NZ 2.83Å; S654-K685 WeakPolarHBondContact OG-CE 3.24Å; S654-K685 PolarHBondContact OG-NZ 3.31Å
655	T	92	Very high	89.7	Confident	53 Å²	53	62.3 Å²	62.3	33%	0.325	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145.1	179.6	-59.5	0	0	0	0	109.9	Y653 L657 A663	Y653-T655 WeakPolarHBondContact CE1-OG1 3.3Å; Y653-T655 VanDerWaalsContact CZ-OG1 3.3Å; Y653-T655 PolarHBondContact OH-OG1 3.49Å; T655-L657 HydrophobicContact CG2-CD2 4.33Å; T655-A663 PolarHBondContact N-O 3.29Å; T655-A663 PolarHBondContact O-N 3.13Å
656	R	89.9	Confident	89.5	Confident	81 Å²	81	59.1 Å²	59.1	31%	0.306	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	115.6	170.3	-168.6	174.4	-145.9	162.2	7.5	108	C658 D659 T678 T682	R656-C658 WeakPolarHBondContact CG-O 3.16Å; R656-D659 PolarHBondContact NE-O 2.98Å; R656-D659 PolarHBondContact NH2-O 3.41Å; R656-T678 PolarHBondContact NH2-O 2.85Å; R656-T682 PolarHBondContact NH1-OG1 3.25Å; R656-T682 PolarHBondContact NH2-OG1 2.89Å
657	L	87.6	Confident	89.2	Confident	99 Å²	99	64 Å²	64	52%	0.518	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-35.7	-178.6	-64.8	-176.3	0	0	0	112	W611 T655 L661 A663	W611-L657 HydrophobicContact CZ2-CD1 3.79Å; T655-L657 HydrophobicContact CG2-CD2 4.33Å; L657-L661 HydrophobicContact CB-CD2 4.17Å; L657-L661 HydrophobicContact CB-CG 4.38Å; L657-L661 HydrophobicContact CD1-CD2 4.04Å; L657-L661 PolarHBondContact N-O 2.9Å; L657-A663 HydrophobicContact CD1-CB 3.5Å; L657-A663 HydrophobicContact CG-CB 3.79Å
658	C	86.3	Confident	88.8	Confident	67 Å²	67	66 Å²	66	45%	0.453	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	174.9	163.5	67.6	0	0	0	0	108.2	R656 E660 L661	R656-C658 WeakPolarHBondContact CG-O 3.16Å; C658-E660 PolarHBondContact O-N 2.97Å; C658-L661 PolarHBondContact O-N 3.28Å; C658-L661 WeakPolarHBondContact SG-CB 3.38Å
659	D	86.1	Confident	88.8	Confident	88 Å²	88	66.5 Å²	66.5	47%	0.471	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-30.1	-173.4	-64.5	-36.5	0	0	0	113.8	R656 T678 A681	R656-D659 PolarHBondContact NE-O 2.98Å; R656-D659 PolarHBondContact NH2-O 3.41Å; D659-T678 HydrophobicContact CB-CG2 3.9Å; D659-T678 WeakPolarHBondContact CB-OG1 3.45Å; D659-A681 WeakPolarHBondContact O-CB 3.46Å
660	E	90.7	Very high	89.2	Confident	81 Å²	81	66 Å²	66	38%	0.379	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-6.5	178.9	-82	138.5	-156.7	0	0	115.4	C658 N674 F675 T678	C658-E660 PolarHBondContact O-N 2.97Å; E660-N674 WeakPolarHBondContact O-CA 3.48Å; E660-F675 WeakPolarHBondContact O-CD2 3.36Å; E660-F675 PolarHBondContact O-N 3.15Å; E660-T678 PolarHBondContact OE1-OG1 2.9Å
661	L	93.9	Very high	90	Very high	22 Å²	22	62.3 Å²	62.3	12%	0.115	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	110.8	-174.5	-173.8	62.2	0	0	0	112.9	L657 C658 N674	L657-L661 HydrophobicContact CB-CD2 4.17Å; L657-L661 HydrophobicContact CB-CG 4.38Å; L657-L661 HydrophobicContact CD1-CD2 4.04Å; L657-L661 PolarHBondContact N-O 2.9Å; C658-L661 PolarHBondContact O-N 3.28Å; C658-L661 WeakPolarHBondContact SG-CB 3.38Å; L661-N674 HydrophobicContact CD1-CB 3.95Å
662	I	94.9	Very high	90.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	120.3	169	-53.6	174.6	0	0	0	108.8	G672 L673 F675 F684 K685	I662-G672 CarbonylContact O-C 3.59Å; I662-G672 WeakPolarHBondContact O-CA 3.33Å; I662-L673 PolarHBondContact N-O 3.29Å; I662-L673 PolarHBondContact O-N 2.93Å; I662-F675 HydrophobicContact CB-CE2 4.34Å; I662-F675 HydrophobicContact CD1-CD2 4.44Å; I662-F675 HydrophobicContact CD1-CE2 3.5Å; I662-F675 HydrophobicContact CD1-CZ 3.75Å; I662-F675 HydrophobicContact CG1-CD2 4.49Å; I662-F675 HydrophobicContact CG1-CE2 3.84Å; I662-F684 HydrophobicContact CD1-CD1 4.1Å; I662-K685 HydrophobicContact CD1-CB 3.85Å; I662-K685 HydrophobicContact CD1-CD 4.14Å; I662-K685 HydrophobicContact CG1-CD 4.34Å; I662-K685 HydrophobicContact CG2-CD 3.9Å
663	A	94.7	Very high	91	Very high	7 Å²	7	54.3 Å²	54.3	6%	0.058	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	150.1	175.3	0	0	0	0	0	112.7	W611 S654 T655 L657 Y671	W611-A663 HydrophobicContact CH2-CB 4.16Å; W611-A663 HydrophobicContact CZ2-CB 4.43Å; S654-A663 CarbonylContact C-O 3.54Å; S654-A663 WeakPolarHBondContact CA-O 3.28Å; T655-A663 PolarHBondContact N-O 3.29Å; T655-A663 PolarHBondContact O-N 3.13Å; L657-A663 HydrophobicContact CD1-CB 3.5Å; L657-A663 HydrophobicContact CG-CB 3.79Å; A663-Y671 VanDerWaalsContact CA-O 3.22Å; A663-Y671 WeakPolarHBondContact CA-O 3.16Å
664	F	94.3	Very high	91.4	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.026	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	158.9	174	51.1	-93.7	0	0	0	110.7	L632 W644 Q646 F652 Y653 V670 Y671 L673	L632-F664 HydrophobicContact CD1-CE1 3.86Å; L632-F664 HydrophobicContact CD1-CE2 4.3Å; L632-F664 HydrophobicContact CD1-CZ 3.7Å; W644-F664 HydrophobicContact CH2-CE2 4.24Å; W644-F664 AromaticContact CH2-CZ 3.82Å; W644-F664 HydrophobicContact CH2-CZ 3.82Å; W644-F664 HydrophobicContact CZ2-CE2 4.31Å; W644-F664 HydrophobicContact CZ2-CZ 4.23Å; Q646-F664 HydrophobicContact CG-CE2 4.1Å; F652-F664 HydrophobicContact CE2-CB 4.35Å; F652-F664 AromaticContact CE2-CD2 3.8Å; F652-F664 HydrophobicContact CE2-CD2 3.8Å; F652-F664 HydrophobicContact CE2-CE2 4.37Å; F652-F664 HydrophobicContact CE2-CG 4.07Å; F652-F664 HydrophobicContact CZ-CB 3.93Å; F652-F664 HydrophobicContact CZ-CD1 4.01Å; F652-F664 AromaticContact CZ-CD2 3.78Å; F652-F664 HydrophobicContact CZ-CD2 3.78Å; F652-F664 HydrophobicContact CZ-CE2 4.34Å; F652-F664 AromaticContact CZ-CG 3.62Å; F652-F664 HydrophobicContact CZ-CG 3.62Å; Y653-F664 VanDerWaalsContact O-CB 3.23Å; Y653-F664 WeakPolarHBondContact O-CB 3.43Å; F664-V670 WeakPolarHBondContact O-CG1 3.47Å; F664-Y671 AromaticContact CE2-CD2 3.99Å; F664-Y671 HydrophobicContact CE2-CD2 3.99Å; F664-Y671 HydrophobicContact CE2-CG 4.25Å; F664-Y671 PolarHBondContact N-O 3.14Å; F664-Y671 PolarHBondContact O-N 3.27Å; F664-L673 HydrophobicContact CE1-CD1 3.76Å; F664-L673 HydrophobicContact CE1-CG 3.82Å; F664-L673 HydrophobicContact CZ-CD1 4.33Å; F664-L673 HydrophobicContact CZ-CG 4.27Å
665	E	91.7	Very high	91.6	Very high	142 Å²	142	48.9 Å²	48.9	66%	0.664	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	129	169.4	-63.8	-179.6	179.2	0	0	109.1
666	G	90.2	Very high	91.4	Very high	16 Å²	16	51 Å²	51	17%	0.165	28%	0.277	C	S	.	.			trans	-121.6	-177	174.2	0	0	0	0	0	111.9	N668 C669	G666-N668 PolarHBondContact O-N 2.95Å; G666-N668 VanDerWaalsContact O-N 3.13Å; G666-C669 PolarHBondContact N-O 2.89Å
667	D	86.1	Confident	91.2	Very high	105 Å²	105	48.8 Å²	48.8	56%	0.561	28%	0.275	S	S	*	.	S	Bend	trans	-65	-26.6	-163.9	-59	-18.7	0	0	0	113.5	Q646	Q646-D667 PolarHBondContact NE2-OD1 3.44Å; Q646-D667 PolarHBondContact NE2-OD2 3.3Å
668	N	84.5	Confident	91.3	Very high	125 Å²	125	46 Å²	46	67%	0.668	26%	0.262	S	S	*	.	S	Bend	trans	-113.2	-31	-176.2	-58.5	-60.6	0	0	0	114.1	G666	G666-N668 PolarHBondContact O-N 2.95Å; G666-N668 VanDerWaalsContact O-N 3.13Å
669	C	89.9	Confident	91.2	Very high	16 Å²	16	47.7 Å²	47.7	11%	0.108	27%	0.266	C	S	.	.	S	Bend	trans	-165.6	-179.8	-172.3	66.5	0	0	0	0	111.2	E604 G666 Y671	E604-C669 HydrophobicContact CG-CB 4.02Å; G666-C669 PolarHBondContact N-O 2.89Å; C669-Y671 WeakPolarHBondContact SG-CE1 3.5Å; C669-Y671 VanDerWaalsContact SG-CZ 3.54Å
670	V	92.8	Very high	91.2	Very high	58 Å²	58	47.1 Å²	47.1	35%	0.352	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	127.5	167.6	-167.3	0	0	0	0	108.6	A603 W611 F664	A603-V670 HydrophobicContact CB-CB 4.42Å; A603-V670 PolarHBondContact N-O 2.78Å; W611-V670 HydrophobicContact CH2-CB 4.41Å; W611-V670 HydrophobicContact CH2-CG1 3.88Å; W611-V670 WeakPolarHBondContact CZ3-O 3.33Å; F664-V670 WeakPolarHBondContact O-CG1 3.47Å
671	Y	95.2	Very high	91.2	Very high	14 Å²	14	43.2 Å²	43.2	6%	0.055	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	151.4	175.9	-67.5	-70.7	0	0	0	111	L600 F601 A602 W644 A663 F664 C669	L600-Y671 HydrophobicContact CD1-CD1 3.97Å; L600-Y671 HydrophobicContact CD1-CG 4.42Å; L600-Y671 HydrophobicContact CG-CD1 4.45Å; F601-Y671 CarbonylContact O-C 3.43Å; F601-Y671 WeakPolarHBondContact O-CA 3.38Å; A602-Y671 HydrophobicContact CB-CD1 3.87Å; A602-Y671 HydrophobicContact CB-CE1 3.9Å; W644-Y671 HydrophobicContact CZ2-CD1 4.36Å; W644-Y671 HydrophobicContact CZ2-CD2 4.01Å; W644-Y671 HydrophobicContact CZ2-CE2 4.25Å; W644-Y671 HydrophobicContact CZ2-CG 4.07Å; W644-Y671 AromaticContact NE1-CE1 3.6Å; W644-Y671 AromaticContact NE1-CZ 3.54Å; A663-Y671 VanDerWaalsContact CA-O 3.22Å; A663-Y671 WeakPolarHBondContact CA-O 3.16Å; F664-Y671 AromaticContact CE2-CD2 3.99Å; F664-Y671 HydrophobicContact CE2-CD2 3.99Å; F664-Y671 HydrophobicContact CE2-CG 4.25Å; F664-Y671 PolarHBondContact N-O 3.14Å; F664-Y671 PolarHBondContact O-N 3.27Å; C669-Y671 WeakPolarHBondContact SG-CE1 3.5Å; C669-Y671 VanDerWaalsContact SG-CZ 3.54Å
672	G	95.3	Very high	91	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	122.7	174.7	0	0	0	0	0	110.5	F601 I662	F601-G672 PolarHBondContact N-O 2.94Å; F601-G672 PolarHBondContact O-N 2.65Å; I662-G672 CarbonylContact O-C 3.59Å; I662-G672 WeakPolarHBondContact O-CA 3.33Å
673	L	96.5	Very high	90.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	108.5	170.2	-57.4	176	0	0	0	107.7	V598 L600 V619 L632 I662 F664 F675 F684	V598-L673 HydrophobicContact CG2-CB 4.42Å; V598-L673 HydrophobicContact CG2-CD2 4.03Å; L600-L673 HydrophobicContact CD1-CD2 3.75Å; V619-L673 HydrophobicContact CG1-CD1 4.34Å; V619-L673 HydrophobicContact CG2-CD1 4.37Å; V619-L673 HydrophobicContact CG2-CD2 4.41Å; L632-L673 HydrophobicContact CD1-CD1 4.47Å; I662-L673 PolarHBondContact N-O 3.29Å; I662-L673 PolarHBondContact O-N 2.93Å; F664-L673 HydrophobicContact CE1-CD1 3.76Å; F664-L673 HydrophobicContact CE1-CG 3.82Å; F664-L673 HydrophobicContact CZ-CD1 4.33Å; F664-L673 HydrophobicContact CZ-CG 4.27Å; L673-F675 HydrophobicContact CB-CD2 4.49Å; L673-F675 HydrophobicContact CB-CE2 3.74Å; L673-F675 HydrophobicContact CB-CZ 4.37Å; L673-F675 WeakPolarHBondContact O-CD2 3.25Å; L673-F675 WeakPolarHBondContact O-CE2 3.42Å; L673-F684 HydrophobicContact CD1-CE1 3.97Å; L673-F684 HydrophobicContact CD1-CZ 4.45Å
674	N	95.8	Very high	90.4	Very high	42 Å²	42	48.7 Å²	48.7	23%	0.225	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	116	178.7	-168.8	55.8	0	0	0	109.9	V598 Q599 F601 E660 L661	V598-N674 CarbonylContact C-O 3.55Å; V598-N674 VanDerWaalsContact CA-O 3.3Å; V598-N674 WeakPolarHBondContact CA-O 3.43Å; V598-N674 WeakPolarHBondContact CB-O 3.48Å; Q599-N674 HydrophobicContact CB-CB 4.32Å; Q599-N674 PolarHBondContact N-O 3.11Å; Q599-N674 PolarHBondContact O-N 3.02Å; F601-N674 HydrophobicContact CD2-CB 3.79Å; F601-N674 HydrophobicContact CE2-CB 3.67Å; E660-N674 WeakPolarHBondContact O-CA 3.48Å; L661-N674 HydrophobicContact CD1-CB 3.95Å
675	F	95.2	Very high	90.2	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.018	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	156.4	-176.8	-65	-110.7	0	0	0	110.3	V598 E660 I662 L673 S677 E680 A681 F684	V598-F675 HydrophobicContact CG1-CD1 3.51Å; V598-F675 HydrophobicContact CG1-CD2 3.9Å; V598-F675 HydrophobicContact CG1-CE1 3.52Å; V598-F675 HydrophobicContact CG1-CE2 3.87Å; V598-F675 HydrophobicContact CG1-CG 3.7Å; V598-F675 HydrophobicContact CG1-CZ 3.69Å; E660-F675 WeakPolarHBondContact O-CD2 3.36Å; E660-F675 PolarHBondContact O-N 3.15Å; I662-F675 HydrophobicContact CB-CE2 4.34Å; I662-F675 HydrophobicContact CD1-CD2 4.44Å; I662-F675 HydrophobicContact CD1-CE2 3.5Å; I662-F675 HydrophobicContact CD1-CZ 3.75Å; I662-F675 HydrophobicContact CG1-CD2 4.49Å; I662-F675 HydrophobicContact CG1-CE2 3.84Å; L673-F675 HydrophobicContact CB-CD2 4.49Å; L673-F675 HydrophobicContact CB-CE2 3.74Å; L673-F675 HydrophobicContact CB-CZ 4.37Å; L673-F675 WeakPolarHBondContact O-CD2 3.25Å; L673-F675 WeakPolarHBondContact O-CE2 3.42Å; F675-S677 VanDerWaalsContact C-N 3.26Å; F675-E680 HydrophobicContact CD1-CB 3.88Å; F675-A681 HydrophobicContact CB-CB 3.94Å; F675-A681 HydrophobicContact CD1-CB 4.18Å; F675-A681 HydrophobicContact CD2-CB 3.73Å; F675-A681 HydrophobicContact CE2-CB 4.31Å; F675-A681 HydrophobicContact CG-CB 3.69Å; F675-F684 HydrophobicContact CE1-CB 3.62Å; F675-F684 HydrophobicContact CE1-CD1 4.38Å; F675-F684 HydrophobicContact CE1-CD2 4.23Å; F675-F684 AromaticContact CE1-CG 3.84Å; F675-F684 HydrophobicContact CE1-CG 3.84Å; F675-F684 HydrophobicContact CZ-CB 3.69Å; F675-F684 AromaticContact CZ-CD1 3.71Å; F675-F684 HydrophobicContact CZ-CD1 3.71Å; F675-F684 HydrophobicContact CZ-CD2 4.3Å; F675-F684 HydrophobicContact CZ-CE1 4.41Å; F675-F684 AromaticContact CZ-CG 3.64Å; F675-F684 HydrophobicContact CZ-CG 3.64Å
676	S	88	Confident	90.1	Very high	98 Å²	98	47.4 Å²	47.4	69%	0.685	26%	0.26	S	S	*	.	S	Bend	trans	-83.2	-2.6	170	57.1	0	0	0	0	113.5
677	S	86.3	Confident	89.9	Confident	35 Å²	35	46.7 Å²	46.7	25%	0.245	25%	0.253	C	S	.	.			trans	-147.1	126.3	-174.1	174.3	0	0	0	0	111.1	F675 D679 E680 A681	F675-S677 VanDerWaalsContact C-N 3.26Å; S677-D679 PolarHBondContact O-N 3.44Å; S677-D679 PolarHBondContact OG-N 2.85Å; S677-E680 PolarHBondContact O-N 3.43Å; S677-E680 PolarHBondContact OG-N 2.86Å; S677-A681 PolarHBondContact O-N 2.79Å
678	T	89.4	Confident	90	Very high	40 Å²	40	41.8 Å²	41.8	25%	0.245	23%	0.226	C	C	.	.	H	α-helix	trans	-57.4	-30.5	169.9	-69.9	0	0	0	0	112.4	R656 D659 E660 T682	R656-T678 PolarHBondContact NH2-O 2.85Å; D659-T678 HydrophobicContact CB-CG2 3.9Å; D659-T678 WeakPolarHBondContact CB-OG1 3.45Å; E660-T678 PolarHBondContact OE1-OG1 2.9Å; T678-T682 WeakPolarHBondContact O-CB 3.42Å; T678-T682 PolarHBondContact O-N 2.91Å; T678-T682 PolarHBondContact O-OG1 2.71Å
679	D	83.3	Confident	90.2	Very high	102 Å²	102	38.3 Å²	38.3	55%	0.545	21%	0.208	S	C	.	.	H	α-helix	trans	-71.4	-46.2	177.2	-68.8	-28.4	0	0	0	111.3	S677 A681 T682 E683	S677-D679 PolarHBondContact O-N 3.44Å; S677-D679 PolarHBondContact OG-N 2.85Å; D679-A681 PolarHBondContact O-N 3.03Å; D679-T682 PolarHBondContact O-N 2.85Å; D679-T682 VanDerWaalsContact O-N 3.16Å; D679-E683 PolarHBondContact O-N 3.05Å
680	E	87.4	Confident	90	Very high	76 Å²	76	40.8 Å²	40.8	36%	0.355	22%	0.22	S	C	.	.	H	α-helix	trans	-62.7	-43.4	176.2	-68.9	-165.7	-178.6	0	0	111.4	F675 S677 T682 E683 F684	F675-E680 HydrophobicContact CD1-CB 3.88Å; S677-E680 PolarHBondContact O-N 3.43Å; S677-E680 PolarHBondContact OG-N 2.86Å; E680-T682 VanDerWaalsContact C-N 3.28Å; E680-T682 PolarHBondContact O-N 2.85Å; E680-E683 PolarHBondContact O-N 2.92Å; E680-F684 VanDerWaalsContact O-CB 3.25Å; E680-F684 WeakPolarHBondContact O-CB 3.39Å; E680-F684 PolarHBondContact O-N 2.73Å
681	A	90.9	Very high	89.7	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-38.2	174	0	0	0	0	0	112.1	D659 F675 S677 D679 K685	D659-A681 WeakPolarHBondContact O-CB 3.46Å; F675-A681 HydrophobicContact CB-CB 3.94Å; F675-A681 HydrophobicContact CD1-CB 4.18Å; F675-A681 HydrophobicContact CD2-CB 3.73Å; F675-A681 HydrophobicContact CE2-CB 4.31Å; F675-A681 HydrophobicContact CG-CB 3.69Å; S677-A681 PolarHBondContact O-N 2.79Å; D679-A681 PolarHBondContact O-N 3.03Å; A681-K685 WeakPolarHBondContact O-CB 3.33Å; A681-K685 PolarHBondContact O-N 2.98Å
682	T	89.2	Confident	89.2	Confident	64 Å²	64	39 Å²	39	39%	0.393	21%	0.209	S	C	.	.	H	α-helix	trans	-67.7	-46.1	178.5	-57.8	0	0	0	0	111.2	R656 T678 D679 E680 K685 R686	R656-T682 PolarHBondContact NH1-OG1 3.25Å; R656-T682 PolarHBondContact NH2-OG1 2.89Å; T678-T682 WeakPolarHBondContact O-CB 3.42Å; T678-T682 PolarHBondContact O-N 2.91Å; T678-T682 PolarHBondContact O-OG1 2.71Å; D679-T682 PolarHBondContact O-N 2.85Å; D679-T682 VanDerWaalsContact O-N 3.16Å; E680-T682 VanDerWaalsContact C-N 3.28Å; E680-T682 PolarHBondContact O-N 2.85Å; T682-K685 PolarHBondContact O-N 3.02Å; T682-R686 WeakPolarHBondContact O-CB 3.34Å; T682-R686 PolarHBondContact O-N 2.84Å
683	E	85.2	Confident	88.7	Confident	76 Å²	76	42.9 Å²	42.9	36%	0.355	23%	0.227	S	C	.	.	H	α-helix	trans	-70.3	-40.5	-178.6	-179.1	61.1	-174.2	0	0	112.2	L594 D679 E680 R686 A687	L594-E683 HydrophobicContact CD1-CG 3.95Å; L594-E683 HydrophobicContact CD2-CG 3.86Å; D679-E683 PolarHBondContact O-N 3.05Å; E680-E683 PolarHBondContact O-N 2.92Å; E683-R686 WeakPolarHBondContact O-CB 3.13Å; E683-R686 PolarHBondContact O-N 3.07Å; E683-R686 IonicContact OE1-CZ 2.62Å; E683-R686 IonicContact OE1-NE 2.67Å; E683-R686 PolarHBondContact OE1-NE 2.88Å; E683-R686 IonicContact OE1-NH2 2.7Å; E683-R686 PolarHBondContact OE1-NH2 3.4Å; E683-R686 IonicContact OE2-CZ 2.75Å; E683-R686 IonicContact OE2-NE 2.72Å; E683-R686 PolarHBondContact OE2-NE 2.94Å; E683-R686 IonicContact OE2-NH2 2.62Å; E683-A687 PolarHBondContact O-N 2.96Å; E683-A687 VanDerWaalsContact O-N 3.11Å
684	F	90.7	Very high	88	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.018	25%	0.25	C	C	.	.	H	α-helix	trans	-63.6	-43.8	174.1	-165	-84.8	0	0	0	111.3	L594 V619 L632 I662 L673 F675 E680 R686 A687 L688	L594-F684 HydrophobicContact CB-CD2 4.38Å; V619-F684 HydrophobicContact CG1-CE2 3.87Å; V619-F684 HydrophobicContact CG1-CZ 3.85Å; V619-F684 HydrophobicContact CG2-CZ 4.33Å; L632-F684 HydrophobicContact CD2-CE1 4.35Å; L632-F684 HydrophobicContact CD2-CZ 4.07Å; I662-F684 HydrophobicContact CD1-CD1 4.1Å; L673-F684 HydrophobicContact CD1-CE1 3.97Å; L673-F684 HydrophobicContact CD1-CZ 4.45Å; F675-F684 HydrophobicContact CE1-CB 3.62Å; F675-F684 HydrophobicContact CE1-CD1 4.38Å; F675-F684 HydrophobicContact CE1-CD2 4.23Å; F675-F684 AromaticContact CE1-CG 3.84Å; F675-F684 HydrophobicContact CE1-CG 3.84Å; F675-F684 HydrophobicContact CZ-CB 3.69Å; F675-F684 AromaticContact CZ-CD1 3.71Å; F675-F684 HydrophobicContact CZ-CD1 3.71Å; F675-F684 HydrophobicContact CZ-CD2 4.3Å; F675-F684 HydrophobicContact CZ-CE1 4.41Å; F675-F684 AromaticContact CZ-CG 3.64Å; F675-F684 HydrophobicContact CZ-CG 3.64Å; E680-F684 VanDerWaalsContact O-CB 3.25Å; E680-F684 WeakPolarHBondContact O-CB 3.39Å; E680-F684 PolarHBondContact O-N 2.73Å; F684-R686 VanDerWaalsContact C-N 3.35Å; F684-R686 PolarHBondContact O-N 3.24Å; F684-A687 PolarHBondContact O-N 2.57Å; F684-L688 HydrophobicContact CE1-CD2 4.38Å; F684-L688 VanDerWaalsContact O-CB 3.27Å; F684-L688 WeakPolarHBondContact O-CB 3.03Å; F684-L688 PolarHBondContact O-N 3.48Å
685	K	91	Very high	87.3	Confident	27 Å²	27	44.5 Å²	44.5	12%	0.117	24%	0.243	C	C	.	.	H	α-helix	trans	-60.3	-43.6	174.7	-170.6	65.7	168.8	78.6	0	111.6	S654 I662 A681 T682 A687 L688 D689	S654-K685 WeakPolarHBondContact O-CE 3.37Å; S654-K685 PolarHBondContact O-NZ 2.83Å; S654-K685 WeakPolarHBondContact OG-CE 3.24Å; S654-K685 PolarHBondContact OG-NZ 3.31Å; I662-K685 HydrophobicContact CD1-CB 3.85Å; I662-K685 HydrophobicContact CD1-CD 4.14Å; I662-K685 HydrophobicContact CG1-CD 4.34Å; I662-K685 HydrophobicContact CG2-CD 3.9Å; A681-K685 WeakPolarHBondContact O-CB 3.33Å; A681-K685 PolarHBondContact O-N 2.98Å; T682-K685 PolarHBondContact O-N 3.02Å; K685-A687 PolarHBondContact O-N 2.93Å; K685-L688 PolarHBondContact O-N 2.83Å; K685-D689 IonicContact NZ-OD1 2.65Å; K685-D689 PolarHBondContact NZ-OD1 3.48Å; K685-D689 IonicContact NZ-OD2 2.72Å; K685-D689 PolarHBondContact NZ-OD2 3.23Å; K685-D689 WeakPolarHBondContact O-CB 3.46Å; K685-D689 PolarHBondContact O-N 2.89Å
686	R	88.9	Confident	86.7	Confident	94 Å²	94	48.8 Å²	48.8	36%	0.355	26%	0.263	S	S	.	.	H	α-helix	trans	-56	-50.4	177.9	-173.3	-169	69.5	71.5	0.9	111.5	E592 T682 E683 F684 L690	E592-R686 IonicContact OE1-CZ 3.74Å; E592-R686 VanDerWaalsContact OE1-CZ 3.25Å; E592-R686 IonicContact OE1-NH1 2.71Å; E592-R686 PolarHBondContact OE1-NH1 3.14Å; E592-R686 IonicContact OE1-NH2 3.52Å; E592-R686 PolarHBondContact OE1-NH2 2.93Å; T682-R686 WeakPolarHBondContact O-CB 3.34Å; T682-R686 PolarHBondContact O-N 2.84Å; E683-R686 WeakPolarHBondContact O-CB 3.13Å; E683-R686 PolarHBondContact O-N 3.07Å; E683-R686 IonicContact OE1-CZ 2.62Å; E683-R686 IonicContact OE1-NE 2.67Å; E683-R686 PolarHBondContact OE1-NE 2.88Å; E683-R686 IonicContact OE1-NH2 2.7Å; E683-R686 PolarHBondContact OE1-NH2 3.4Å; E683-R686 IonicContact OE2-CZ 2.75Å; E683-R686 IonicContact OE2-NE 2.72Å; E683-R686 PolarHBondContact OE2-NE 2.94Å; E683-R686 IonicContact OE2-NH2 2.62Å; F684-R686 VanDerWaalsContact C-N 3.35Å; F684-R686 PolarHBondContact O-N 3.24Å; R686-L690 HydrophobicContact CG-CD1 4.27Å; R686-L690 WeakPolarHBondContact O-CB 3.47Å; R686-L690 VanDerWaalsContact O-CG 3.28Å; R686-L690 WeakPolarHBondContact O-CG 3.39Å; R686-L690 PolarHBondContact O-N 3.23Å
687	A	85.9	Confident	86.5	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-71.6	-36.8	-179	0	0	0	0	0	113.2	E592 L594 E683 F684 K685 L690 K691	E592-A687 HydrophobicContact CB-CB 4.42Å; L594-A687 HydrophobicContact CB-CB 4.46Å; L594-A687 HydrophobicContact CD1-CB 3.33Å; L594-A687 HydrophobicContact CG-CB 4.49Å; E683-A687 PolarHBondContact O-N 2.96Å; E683-A687 VanDerWaalsContact O-N 3.11Å; F684-A687 PolarHBondContact O-N 2.57Å; K685-A687 PolarHBondContact O-N 2.93Å; A687-L690 PolarHBondContact O-N 2.97Å; A687-K691 PolarHBondContact O-N 3.35Å
688	L	89	Confident	86.3	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-59.1	-49.6	174.2	-173.2	60	0	0	0	110.8	L632 M648 F652 F684 K685 L690 K691 V692	L632-L688 HydrophobicContact CD2-CD1 4.16Å; M648-L688 HydrophobicContact CE-CD1 3.6Å; M648-L688 HydrophobicContact SD-CD1 4.17Å; F652-L688 HydrophobicContact CE1-CD1 3.94Å; F652-L688 HydrophobicContact CE1-CD2 4.17Å; F652-L688 HydrophobicContact CE1-CG 4.22Å; F684-L688 HydrophobicContact CE1-CD2 4.38Å; F684-L688 VanDerWaalsContact O-CB 3.27Å; F684-L688 WeakPolarHBondContact O-CB 3.03Å; F684-L688 PolarHBondContact O-N 3.48Å; K685-L688 PolarHBondContact O-N 2.83Å; L688-L690 PolarHBondContact O-N 3.31Å; L688-K691 PolarHBondContact O-N 3.05Å; L688-V692 WeakPolarHBondContact O-CG2 3.41Å; L688-V692 PolarHBondContact O-N 3.18Å
689	D	88.3	Confident	85.8	Confident	53 Å²	53	55.1 Å²	55.1	28%	0.283	27%	0.269	S	S	.	.	H	α-helix	trans	-65.4	-35.8	178.2	-70.7	-13.1	0	0	0	112.4	K685 V692 Q693	K685-D689 IonicContact NZ-OD1 2.65Å; K685-D689 PolarHBondContact NZ-OD1 3.48Å; K685-D689 IonicContact NZ-OD2 2.72Å; K685-D689 PolarHBondContact NZ-OD2 3.23Å; K685-D689 WeakPolarHBondContact O-CB 3.46Å; K685-D689 PolarHBondContact O-N 2.89Å; D689-V692 PolarHBondContact O-N 3.2Å; D689-Q693 WeakPolarHBondContact O-CB 3.49Å; D689-Q693 VanDerWaalsContact O-CG 3.29Å; D689-Q693 WeakPolarHBondContact O-CG 3.3Å; D689-Q693 PolarHBondContact O-N 3.18Å
690	L	85.9	Confident	85.5	Confident	67 Å²	67	53.1 Å²	53.1	35%	0.351	27%	0.266	S	S	.	.	H	α-helix	trans	-65.3	-39.8	173.3	-76.1	169.6	0	0	0	112.4	R686 A687 L688 A694	R686-L690 HydrophobicContact CG-CD1 4.27Å; R686-L690 WeakPolarHBondContact O-CB 3.47Å; R686-L690 VanDerWaalsContact O-CG 3.28Å; R686-L690 WeakPolarHBondContact O-CG 3.39Å; R686-L690 PolarHBondContact O-N 3.23Å; A687-L690 PolarHBondContact O-N 2.97Å; L688-L690 PolarHBondContact O-N 3.31Å; L690-A694 WeakPolarHBondContact O-CB 3.38Å; L690-A694 PolarHBondContact O-N 3.32Å
691	K	85.4	Confident	85.2	Confident	21 Å²	21	58.4 Å²	58.4	9%	0.091	28%	0.283	C	S	.	.	H	α-helix	trans	-66.4	-43.9	174.6	-122.5	78.1	170.6	-163.8	0	111.5	D591 E592 L621 Y630 A687 L688 A694 L695	D591-K691 IonicContact OD1-NZ 2.69Å; D591-K691 PolarHBondContact OD1-NZ 3.03Å; E592-K691 PolarHBondContact O-NZ 3.35Å; E592-K691 VanDerWaalsContact O-NZ 3.09Å; L621-K691 HydrophobicContact CD2-CB 4.1Å; L621-K691 HydrophobicContact CD2-CD 3.99Å; L621-K691 HydrophobicContact CD2-CG 4.02Å; Y630-K691 HydrophobicContact CD1-CG 4.33Å; Y630-K691 HydrophobicContact CE1-CG 4.19Å; A687-K691 PolarHBondContact O-N 3.35Å; L688-K691 PolarHBondContact O-N 3.05Å; K691-A694 WeakPolarHBondContact O-CB 3.42Å; K691-A694 PolarHBondContact O-N 2.92Å; K691-A694 VanDerWaalsContact O-N 3.15Å; K691-L695 PolarHBondContact O-N 3.11Å
692	V	86.4	Confident	84.6	Confident	14 Å²	14	64.2 Å²	64.2	9%	0.085	31%	0.308	C	S	.	.	H	α-helix	trans	-57.7	-50.3	174.3	168.6	0	0	0	0	110.9	M648 F652 L688 D689 A694 L695 Q696	M648-V692 HydrophobicContact CE-CG2 3.77Å; F652-V692 HydrophobicContact CD1-CG2 3.86Å; F652-V692 VanDerWaalsContact O-CG1 3.24Å; F652-V692 WeakPolarHBondContact O-CG1 3.38Å; F652-V692 WeakPolarHBondContact O-CG2 3.45Å; L688-V692 WeakPolarHBondContact O-CG2 3.41Å; L688-V692 PolarHBondContact O-N 3.18Å; D689-V692 PolarHBondContact O-N 3.2Å; V692-A694 VanDerWaalsContact C-N 3.27Å; V692-A694 PolarHBondContact O-N 2.91Å; V692-L695 WeakPolarHBondContact O-CB 3.29Å; V692-L695 PolarHBondContact O-N 2.91Å; V692-L695 VanDerWaalsContact O-N 3.14Å; V692-Q696 HydrophobicContact CG1-CG 4.47Å; V692-Q696 WeakPolarHBondContact O-CG 2.94Å; V692-Q696 PolarHBondContact O-N 3.21Å
693	Q	84.6	Confident	84.1	Confident	82 Å²	82	64.5 Å²	64.5	38%	0.383	31%	0.309	S	S	.	.	H	α-helix	trans	-59.9	-36.1	175.9	-75.7	-177.6	45.8	0	0	112.8	D689 K697	D689-Q693 WeakPolarHBondContact O-CB 3.49Å; D689-Q693 VanDerWaalsContact O-CG 3.29Å; D689-Q693 WeakPolarHBondContact O-CG 3.3Å; D689-Q693 PolarHBondContact O-N 3.18Å; Q693-K697 VanDerWaalsContact O-CB 3.3Å; Q693-K697 WeakPolarHBondContact O-CB 3.26Å; Q693-K697 VanDerWaalsContact O-CD 3.24Å; Q693-K697 WeakPolarHBondContact O-CD 3.45Å; Q693-K697 WeakPolarHBondContact O-CG 3.42Å; Q693-K697 PolarHBondContact O-N 2.77Å
694	A	82.1	Confident	83.5	Confident	58 Å²	58	63.2 Å²	63.2	48%	0.479	31%	0.312	S	S	.	.	H	α-helix	trans	-68.8	-36.1	177	0	0	0	0	0	112.4	L690 K691 V692 R698	L690-A694 WeakPolarHBondContact O-CB 3.38Å; L690-A694 PolarHBondContact O-N 3.32Å; K691-A694 WeakPolarHBondContact O-CB 3.42Å; K691-A694 PolarHBondContact O-N 2.92Å; K691-A694 VanDerWaalsContact O-N 3.15Å; V692-A694 VanDerWaalsContact C-N 3.27Å; V692-A694 PolarHBondContact O-N 2.91Å; A694-R698 WeakPolarHBondContact O-CB 3.5Å; A694-R698 PolarHBondContact O-N 3.41Å; A694-R698 VanDerWaalsContact O-N 3.11Å
695	L	81.3	Confident	82.5	Confident	17 Å²	17	69.6 Å²	69.6	9%	0.089	34%	0.342	C	S	.	.	H	α-helix	trans	-64.6	-53.1	171.7	-73.7	168.9	0	0	0	111.2	Y630 K691 V692 K697 R698 I699	Y630-L695 HydrophobicContact CD2-CD1 4.09Å; Y630-L695 HydrophobicContact CD2-CD2 3.94Å; Y630-L695 HydrophobicContact CD2-CG 4.33Å; Y630-L695 HydrophobicContact CE2-CD2 3.86Å; Y630-L695 HydrophobicContact CE2-CG 4.37Å; K691-L695 PolarHBondContact O-N 3.11Å; V692-L695 WeakPolarHBondContact O-CB 3.29Å; V692-L695 PolarHBondContact O-N 2.91Å; V692-L695 VanDerWaalsContact O-N 3.14Å; L695-K697 VanDerWaalsContact C-N 3.33Å; L695-K697 PolarHBondContact O-N 3.21Å; L695-R698 CarbonylContact O-C 3.53Å; L695-R698 WeakPolarHBondContact O-CA 3.31Å; L695-R698 VanDerWaalsContact O-CB 3.29Å; L695-R698 WeakPolarHBondContact O-CB 3.39Å; L695-R698 PolarHBondContact O-N 3.43Å; L695-I699 WeakPolarHBondContact O-CG1 3.39Å; L695-I699 PolarHBondContact O-N 2.96Å
696	Q	81.9	Confident	81.2	Confident	94 Å²	94	71.1 Å²	71.1	44%	0.439	36%	0.356	S	S	.	.	H	α-helix	trans	-54.4	-45.9	176.4	-69.4	172.1	-9	0	0	112.1	V692 R698 I699 A700	V692-Q696 HydrophobicContact CG1-CG 4.47Å; V692-Q696 WeakPolarHBondContact O-CG 2.94Å; V692-Q696 PolarHBondContact O-N 3.21Å; Q696-R698 VanDerWaalsContact C-N 3.27Å; Q696-R698 PolarHBondContact O-N 2.88Å; Q696-I699 PolarHBondContact O-N 2.85Å; Q696-A700 WeakPolarHBondContact O-CB 3.21Å; Q696-A700 PolarHBondContact O-N 3.31Å
697	K	83.3	Confident	79.8	Confident	116 Å²	116	72.9 Å²	72.9	50%	0.504	37%	0.368	S	S	.	.	H	α-helix	trans	-63.1	-29.1	175.4	-71.3	161.9	-166.6	162.6	0	112.7	Q693 L695 R701	Q693-K697 VanDerWaalsContact O-CB 3.3Å; Q693-K697 WeakPolarHBondContact O-CB 3.26Å; Q693-K697 VanDerWaalsContact O-CD 3.24Å; Q693-K697 WeakPolarHBondContact O-CD 3.45Å; Q693-K697 WeakPolarHBondContact O-CG 3.42Å; Q693-K697 PolarHBondContact O-N 2.77Å; L695-K697 VanDerWaalsContact C-N 3.33Å; L695-K697 PolarHBondContact O-N 3.21Å; K697-R701 WeakPolarHBondContact O-CD 3.35Å; K697-R701 VanDerWaalsContact O-CG 3.24Å; K697-R701 WeakPolarHBondContact O-CG 3.35Å; K697-R701 PolarHBondContact O-N 3.22Å
698	R	81.3	Confident	78.4	Confident	146 Å²	146	78 Å²	78	55%	0.551	40%	0.399	S	S	*	.	H	α-helix	trans	-75.3	-39.9	174	-174	-175.3	-178.7	-156	1.9	111.8	A694 L695 Q696 R701 K702	A694-R698 WeakPolarHBondContact O-CB 3.5Å; A694-R698 PolarHBondContact O-N 3.41Å; A694-R698 VanDerWaalsContact O-N 3.11Å; L695-R698 CarbonylContact O-C 3.53Å; L695-R698 WeakPolarHBondContact O-CA 3.31Å; L695-R698 VanDerWaalsContact O-CB 3.29Å; L695-R698 WeakPolarHBondContact O-CB 3.39Å; L695-R698 PolarHBondContact O-N 3.43Å; Q696-R698 VanDerWaalsContact C-N 3.27Å; Q696-R698 PolarHBondContact O-N 2.88Å; R698-R701 PolarHBondContact O-N 3.17Å; R698-K702 PolarHBondContact O-N 3.06Å
699	I	79.8	Confident	76.8	Confident	45 Å²	45	81.4 Å²	81.4	23%	0.231	42%	0.423	C	S	.	.	H	α-helix	trans	-65.2	-51.8	176.7	-61.6	155.9	0	0	0	109.9	D650 L695 Q696 R701 K702 V703	D650-I699 HydrophobicContact CB-CD1 3.57Å; D650-I699 WeakPolarHBondContact OD1-CD1 3.42Å; L695-I699 WeakPolarHBondContact O-CG1 3.39Å; L695-I699 PolarHBondContact O-N 2.96Å; Q696-I699 PolarHBondContact O-N 2.85Å; I699-R701 PolarHBondContact O-N 2.62Å; I699-K702 WeakPolarHBondContact O-CB 3.08Å; I699-K702 PolarHBondContact O-N 2.95Å; I699-V703 PolarHBondContact O-N 3.4Å
700	A	77.9	Confident	75	Confident	60 Å²	60	82 Å²	82	50%	0.496	44%	0.435	S	S	.	.	H	α-helix	trans	-55.8	-38	177.5	0	0	0	0	0	112.8	Q696 V703 A704	Q696-A700 WeakPolarHBondContact O-CB 3.21Å; Q696-A700 PolarHBondContact O-N 3.31Å; A700-V703 PolarHBondContact O-N 3.43Å; A700-A704 WeakPolarHBondContact O-CB 3.2Å; A700-A704 PolarHBondContact O-N 3.14Å
701	R	81.2	Confident	73.3	Confident	187 Å²	187	82.8 Å²	82.8	71%	0.706	45%	0.452	S	S	*	.	H	α-helix	trans	-65.8	-40.3	174	-77.6	173.7	-179.6	-174.2	1.7	113.3	K697 R698 I699 Q705	K697-R701 WeakPolarHBondContact O-CD 3.35Å; K697-R701 VanDerWaalsContact O-CG 3.24Å; K697-R701 WeakPolarHBondContact O-CG 3.35Å; K697-R701 PolarHBondContact O-N 3.22Å; R698-R701 PolarHBondContact O-N 3.17Å; I699-R701 PolarHBondContact O-N 2.62Å; R701-Q705 WeakPolarHBondContact O-CB 3.45Å; R701-Q705 WeakPolarHBondContact O-CG 3.27Å; R701-Q705 PolarHBondContact O-N 2.72Å
702	K	77.9	Confident	71.5	Confident	122 Å²	122	86.5 Å²	86.5	53%	0.53	48%	0.48	S	S	.	.	H	α-helix	trans	-59.8	-48	173.3	-70	173.5	176.9	175.7	0	110.6	R698 I699 Q705 S706	R698-K702 PolarHBondContact O-N 3.06Å; I699-K702 WeakPolarHBondContact O-CB 3.08Å; I699-K702 PolarHBondContact O-N 2.95Å; K702-Q705 PolarHBondContact O-N 3.48Å; K702-S706 PolarHBondContact O-N 2.98Å; K702-S706 PolarHBondContact O-OG 2.65Å
703	V	77.9	Confident	69.7	Low	69 Å²	69	90.8 Å²	90.8	42%	0.418	51%	0.507	S	S	.	.	H	α-helix	trans	-62.8	-43.8	-179.3	176.8	0	0	0	0	111.5	I699 A700 Q705 S706 Q707	I699-V703 PolarHBondContact O-N 3.4Å; A700-V703 PolarHBondContact O-N 3.43Å; V703-Q705 PolarHBondContact O-N 2.99Å; V703-S706 PolarHBondContact O-N 2.89Å; V703-S706 PolarHBondContact O-OG 3.45Å; V703-S706 VanDerWaalsContact O-OG 3.05Å; V703-Q707 WeakPolarHBondContact O-CG 3.23Å; V703-Q707 PolarHBondContact O-N 3.19Å
704	A	73.3	Confident	67.6	Low	49 Å²	49	97.8 Å²	97.8	41%	0.405	53%	0.531	S	S	.	.	H	α-helix	trans	-62.6	-40.6	175.2	0	0	0	0	0	112.3	A700 Q707 V708	A700-A704 WeakPolarHBondContact O-CB 3.2Å; A700-A704 PolarHBondContact O-N 3.14Å; A704-Q707 PolarHBondContact O-N 2.99Å; A704-V708 WeakPolarHBondContact O-CG2 3.42Å; A704-V708 PolarHBondContact O-N 3.34Å
705	Q	70.2	Confident	65.3	Low	138 Å²	138	98.6 Å²	98.6	65%	0.645	55%	0.545	S	S	*	.	H	α-helix	trans	-68	-37.7	178.1	-76.2	-176.2	-43.1	0	0	113.1	R701 K702 V703 S709	R701-Q705 WeakPolarHBondContact O-CB 3.45Å; R701-Q705 WeakPolarHBondContact O-CG 3.27Å; R701-Q705 PolarHBondContact O-N 2.72Å; K702-Q705 PolarHBondContact O-N 3.48Å; V703-Q705 PolarHBondContact O-N 2.99Å; Q705-S709 WeakPolarHBondContact O-CB 3.45Å; Q705-S709 PolarHBondContact O-N 3.4Å; Q705-S709 VanDerWaalsContact O-N 3.07Å; Q705-S709 PolarHBondContact O-OG 2.69Å
706	S	63.1	Low	63.3	Low	60 Å²	60	109.4 Å²	109.4	42%	0.42	58%	0.584	S	S	.	*	H	α-helix	trans	-70.1	-36.4	174.8	54.7	0	0	0	0	112.3	K702 V703 S709 A710	K702-S706 PolarHBondContact O-N 2.98Å; K702-S706 PolarHBondContact O-OG 2.65Å; V703-S706 PolarHBondContact O-N 2.89Å; V703-S706 PolarHBondContact O-OG 3.45Å; V703-S706 VanDerWaalsContact O-OG 3.05Å; S706-S709 PolarHBondContact O-N 3.05Å; S706-A710 PolarHBondContact O-N 3.12Å; S706-A710 VanDerWaalsContact O-N 3.1Å
707	Q	58.5	Low	61.2	Low	131 Å²	131	109.5 Å²	109.5	61%	0.612	60%	0.595	S	S	*	*	H	α-helix	trans	-64.2	-45.5	173.6	-73.5	178.7	0.7	0	0	112.8	V703 A704 S709 A710 A711	V703-Q707 WeakPolarHBondContact O-CG 3.23Å; V703-Q707 PolarHBondContact O-N 3.19Å; A704-Q707 PolarHBondContact O-N 2.99Å; Q707-S709 VanDerWaalsContact C-N 3.3Å; Q707-S709 PolarHBondContact O-N 3.04Å; Q707-A710 PolarHBondContact O-N 3.49Å; Q707-A711 PolarHBondContact O-N 3.47Å
708	V	57.9	Low	59	Low	107 Å²	107	110 Å²	110	65%	0.648	61%	0.608	S	S	*	*	H	α-helix	trans	-64.1	-36	176.2	173.5	0	0	0	0	111.5	A704 A710 A711	A704-V708 WeakPolarHBondContact O-CG2 3.42Å; A704-V708 PolarHBondContact O-N 3.34Å; V708-A710 VanDerWaalsContact C-N 3.31Å; V708-A710 PolarHBondContact O-N 3.38Å; V708-A711 PolarHBondContact O-N 3.36Å
709	S	54.5	Low	56.8	Low	73 Å²	73	107.2 Å²	107.2	51%	0.51	62%	0.616	S	S	.	*	H	α-helix	trans	-69.6	-25	177.3	-56	0	0	0	0	113.6	Q705 S706 Q707 S712	Q705-S709 WeakPolarHBondContact O-CB 3.45Å; Q705-S709 PolarHBondContact O-N 3.4Å; Q705-S709 VanDerWaalsContact O-N 3.07Å; Q705-S709 PolarHBondContact O-OG 2.69Å; S706-S709 PolarHBondContact O-N 3.05Å; Q707-S709 VanDerWaalsContact C-N 3.3Å; Q707-S709 PolarHBondContact O-N 3.04Å; S709-S712 PolarHBondContact O-OG 2.8Å
710	A	50	Low	54.9	Low	65 Å²	65	116.1 Å²	116.1	54%	0.537	65%	0.649	S	S	.	*	H	α-helix	trans	-76.7	-33.1	174.5	0	0	0	0	0	112.4	S706 Q707 V708 S712	S706-A710 PolarHBondContact O-N 3.12Å; S706-A710 VanDerWaalsContact O-N 3.1Å; Q707-A710 PolarHBondContact O-N 3.49Å; V708-A710 VanDerWaalsContact C-N 3.31Å; V708-A710 PolarHBondContact O-N 3.38Å; A710-S712 VanDerWaalsContact C-N 3.33Å; A710-S712 PolarHBondContact O-N 2.75Å
711	A	49.8	Very low	52.9	Low	85 Å²	85	119.2 Å²	119.2	70%	0.702	66%	0.662	S	S	*	*	H	α-helix	trans	-69.8	-23.4	-174.8	0	0	0	0	0	114.4	Q707 V708 T713	Q707-A711 PolarHBondContact O-N 3.47Å; V708-A711 PolarHBondContact O-N 3.36Å; A711-T713 VanDerWaalsContact C-N 3.35Å; A711-T713 PolarHBondContact O-N 3.36Å
712	S	49.3	Very low	50.7	Low	99 Å²	99	115.3 Å²	115.3	69%	0.692	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-4.7	-173.8	53	0	0	0	0	115.8	S709 A710	S709-S712 PolarHBondContact O-OG 2.8Å; A710-S712 VanDerWaalsContact C-N 3.33Å; A710-S712 PolarHBondContact O-N 2.75Å
713	T	48.2	Very low	48.4	Very low	104 Å²	104	120 Å²	120	64%	0.638	68%	0.675	S	S	*	*	S	Bend	trans	-110.4	-21	-161.3	-52.3	0	0	0	0	114.4	A711 G715	A711-T713 VanDerWaalsContact C-N 3.35Å; A711-T713 PolarHBondContact O-N 3.36Å; T713-G715 PolarHBondContact O-N 2.82Å
714	Y	39.4	Very low	46.1	Very low	229 Å²	229	124.9 Å²	124.9	90%	0.898	69%	0.691	S	S	*	*			trans	-94.8	81.3	-175.7	-87.1	-87.7	0	0	0	113.3
715	G	34.4	Very low	44.3	Very low	74 Å²	74	128.2 Å²	128.2	76%	0.763	71%	0.706	S	S	*	*			trans	-123.2	14.8	-172	0	0	0	0	0	117.6	T713	T713-G715 PolarHBondContact O-N 2.82Å
716	R	39.1	Very low	42.6	Very low	245 Å²	245	127.9 Å²	127.9	93%	0.925	72%	0.716	S	S	*	*			trans	-155.5	110	175.4	-155.3	160.9	-176.2	164.4	0.2	117.3
717	S	38	Very low	41	Very low	96 Å²	96	131.3 Å²	131.3	67%	0.671	73%	0.734	S	S	*	*			trans	71.2	119.6	143.7	-148.9	0	0	0	0	122.5
718	T	38	Very low	39.8	Very low	127 Å²	127	131.6 Å²	131.6	78%	0.779	75%	0.745	S	S	*	*			trans	66.7	102.2	137.5	47.8	0	0	0	0	122.4
719	A	35	Very low	38.8	Very low	87 Å²	87	133.8 Å²	133.8	72%	0.719	75%	0.753	S	S	*	*				67.3	93.7	124.2	0	0	0	0	0	120.5
720	Y	39.7	Very low	38.1	Very low	231 Å²	231	139.3 Å²	139.3	91%	0.906	77%	0.773	S	S	*	*				-156	169	101.5	-118.3	-92.6	0	0	0	109.3
721	T	35.8	Very low	37.2	Very low	125 Å²	125	139.3 Å²	139.3	77%	0.767	78%	0.78	S	S	*	*			trans	-127.4	165.9	179.4	56.4	0	0	0	0	109.6
722	P	35	Very low	36.4	Very low	105 Å²	105	142 Å²	142	68%	0.682	79%	0.787	S	S	*	*			cis	-140.2	171.4	14	43.5	-26.1	0	0	0	118.4
723	R	28.3	Very low	35.6	Very low	221 Å²	221	143.2 Å²	143.2	83%	0.834	79%	0.79	S	S	*	*			trans	73.2	140.4	144.7	-82.9	169.3	-179	164.7	0.4	122.1
724	F	30.7	Very low	35	Very low	171 Å²	171	146 Å²	146	75%	0.75	80%	0.798	S	S	*	*			trans	67	94.2	160.2	-65.9	-63.4	0	0	0	121.5
725	T	36.1	Very low	34.9	Very low	120 Å²	120	141.2 Å²	141.2	74%	0.736	80%	0.795	S	S	*	*				43.4	101.1	126.5	53.4	0	0	0	0	119.9
726	P	33.4	Very low	35	Very low	130 Å²	130	143.2 Å²	143.2	84%	0.844	80%	0.797	S	S	*	*			trans	-85.4	149.9	159.9	34.3	-32.2	0	0	0	112.7
727	V	31.1	Very low	34.8	Very low	132 Å²	132	138.6 Å²	138.6	80%	0.8	79%	0.791	S	S	*	*			trans	-75.6	166.2	-179.9	168.8	0	0	0	0	112.2
728	T	33.1	Very low	34.3	Very low	137 Å²	137	139.8 Å²	139.8	84%	0.84	80%	0.798	S	S	*	*			trans	-44.9	142.6	176.9	50.4	0	0	0	0	114.7
729	N	37.1	Very low	34	Very low	154 Å²	154	136.7 Å²	136.7	82%	0.824	79%	0.791	S	S	*	*			trans	-127.8	142.4	172.4	-156.3	-2.2	0	0	0	111.2
730	M	37.8	Very low	33.8	Very low	188 Å²	188	141.2 Å²	141.2	93%	0.926	80%	0.795	S	S	*	*			trans	-74.3	155.4	174.4	-68.7	-162.1	-168.7	0	0	111.1
731	G	31.9	Very low	33.4	Very low	66 Å²	66	137.1 Å²	137.1	68%	0.68	79%	0.787	S	S	*	*			trans	-164.5	107.3	174.1	0	0	0	0	0	113.7
732	V	32.7	Very low	33.2	Very low	142 Å²	142	136.3 Å²	136.3	86%	0.861	78%	0.782	S	S	*	*			trans	-85.5	125	170.4	175.2	0	0	0	0	109.3
733	V	32.8	Very low	33.1	Very low	124 Å²	124	140.4 Å²	140.4	75%	0.752	79%	0.789	S	S	*	*			trans	-121.5	124.2	173.4	-176.9	0	0	0	0	109.9
734	M	36.2	Very low	33.3	Very low	161 Å²	161	137.1 Å²	137.1	79%	0.793	79%	0.794	S	S	*	*			trans	-117.3	123.6	171.7	-75.8	-78.7	-77.5	0	0	108.7	S736	M734-S736 PolarHBondContact O-N 2.98Å
735	P	36.8	Very low	33.4	Very low	129 Å²	129	138.2 Å²	138.2	84%	0.838	80%	0.798	S	S	*	*			trans	-83.8	109.4	176.1	31.5	-31.7	0	0	0	111.3
736	S	37.1	Very low	33.5	Very low	116 Å²	116	141 Å²	141	81%	0.811	80%	0.803	S	S	*	*			trans	-81	137.1	167	-58.2	0	0	0	0	111.2	M734	M734-S736 PolarHBondContact O-N 2.98Å
737	N	34.7	Very low	33.5	Very low	149 Å²	149	144.4 Å²	144.4	80%	0.797	80%	0.804	S	S	*	*				-169.4	170.4	127.6	-144.5	-10.8	0	0	0	113.7
738	C	28	Very low	33.5	Very low	120 Å²	120	141.8 Å²	141.8	81%	0.811	80%	0.804	S	S	*	*			trans	68.7	122.8	169.6	-65.3	0	0	0	0	117.2
739	G	30.6	Very low	33.6	Very low	62 Å²	62	147.5 Å²	147.5	64%	0.639	81%	0.81	S	S	*	*			cis	175	123.1	-9.5	0	0	0	0	0	115.9
740	F	30.2	Very low	33.4	Very low	183 Å²	183	149.8 Å²	149.8	80%	0.803	81%	0.813	S	S	*	*			trans	64.5	131.4	146.6	-67.6	-78.4	0	0	0	123.4
741	I	32.7	Very low	33.4	Very low	144 Å²	144	150 Å²	150	74%	0.738	81%	0.811	S	S	*	*			trans	74.3	128.2	139.7	-67.1	167.7	0	0	0	118
742	T	31.7	Very low	34	Very low	108 Å²	108	156.4 Å²	156.4	66%	0.663	82%	0.82	S	S	*	*			cis	-156.2	142.3	-10.5	18.6	0	0	0	0	113.3
743	K	31.6	Very low	34.5	Very low	191 Å²	191	157.8 Å²	157.8	83%	0.83	82%	0.815	S	S	*	*			trans	25.5	118.9	140.5	-59.3	172.8	-177.7	170.8	0	120.6
744	T	33.7	Very low	35.2	Very low	152 Å²	152	162.6 Å²	162.6	93%	0.933	82%	0.82	S	S	*	*				-148.8	159.1	124.3	16.9	0	0	0	0	110.6
745	K	32.2	Very low	36.2	Very low	195 Å²	195	161.1 Å²	161.1	85%	0.848	81%	0.813	S	S	*	*			trans	-107.6	146.5	-173.9	-68.9	176.1	176.2	173.9	0	111.8
746	Q	37.6	Very low	37	Very low	177 Å²	177	157.4 Å²	157.4	83%	0.827	79%	0.789	S	S	*	*				178.2	117.5	111.4	-94.4	-179.5	68	0	0	110
747	K	32.9	Very low	38	Very low	202 Å²	202	160.9 Å²	160.9	88%	0.878	79%	0.789	S	S	*	*				80.9	107.8	85.3	-99.3	-167	173.1	-174.5	0	114.9
748	G	31.4	Very low	39.4	Very low	77 Å²	77	161.4 Å²	161.4	79%	0.794	79%	0.786	S	S	*	*				127.1	89.6	126.8	0	0	0	0	0	120.2
749	R	35.3	Very low	40.7	Very low	257 Å²	257	160.2 Å²	160.2	97%	0.97	77%	0.769	S	S	*	*				-163	166.4	124.2	-112	171.5	173	-179.6	-5.2	111.2
750	K	33.3	Very low	41.7	Very low	203 Å²	203	162.9 Å²	162.9	88%	0.883	77%	0.768	S	S	*	*			trans	-86.4	135.7	-172.4	-59.2	177.6	-178.8	179.2	0	110.9
751	H	38.7	Very low	43.1	Very low	193 Å²	193	157.3 Å²	157.3	89%	0.894	76%	0.762	S	S	*	*			trans	-140.8	160.5	154.7	-113.2	-97.6	0	0	0	108.9	K753	H751-K753 PolarHBondContact O-N 2.65Å
752	K	43	Very low	44.3	Very low	200 Å²	200	159.2 Å²	159.2	87%	0.87	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-54.1	137.1	178.3	-67.1	-179	178.8	179.2	0	110	R754	K752-R754 PolarHBondContact O-N 3.18Å
753	K	44	Very low	45.1	Very low	170 Å²	170	158.6 Å²	158.6	74%	0.739	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-56.8	126.1	166.2	-89.3	-173.9	157.7	-157.2	0	108	H751 E759	H751-K753 PolarHBondContact O-N 2.65Å; K753-E759 IonicContact NZ-OE1 3.16Å; K753-E759 PolarHBondContact NZ-OE1 3.46Å
754	R	48.6	Very low	45.8	Very low	226 Å²	226	155.6 Å²	155.6	85%	0.853	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-70	135.3	153	-80	166.8	55.7	173.6	-1.7	106.8	K752 T756	K752-R754 PolarHBondContact O-N 3.18Å; R754-T756 PolarHBondContact O-N 2.83Å
755	I	56.2	Low	46.5	Very low	129 Å²	129	156.3 Å²	156.3	66%	0.662	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-53.4	125.2	168.5	-62.4	168.7	0	0	0	107.1	E759 I760	I755-E759 WeakPolarHBondContact CA-OE2 3.28Å; I755-E759 HydrophobicContact CG2-CB 4.04Å; I755-I760 HydrophobicContact CG2-CD1 4Å; I755-I760 HydrophobicContact CG2-CG1 3.71Å
756	T	54.5	Low	47	Very low	52 Å²	52	155.5 Å²	155.5	32%	0.319	76%	0.758	S	S	.	*	P	Polyproline II helix	trans	-86.4	163.6	177.9	70.2	0	0	0	0	111	R754 E758 E759	R754-T756 PolarHBondContact O-N 2.83Å; T756-E758 WeakPolarHBondContact CB-OE2 3.42Å; T756-E758 PolarHBondContact O-N 3.23Å; T756-E758 VanDerWaalsContact OG1-CD 3.3Å; T756-E758 PolarHBondContact OG1-OE2 2.72Å; T756-E759 PolarHBondContact N-OE2 3.24Å; T756-E759 PolarHBondContact O-N 2.74Å
757	K	57.8	Low	47.5	Very low	189 Å²	189	153.5 Å²	153.5	82%	0.822	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-14	-178.1	-160.8	178	178.2	-175.2	0	112
758	E	63.1	Low	48.2	Very low	159 Å²	159	152.6 Å²	152.6	74%	0.743	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-16.4	172.9	-38.1	80.9	-116	0	0	113.2	T756	T756-E758 WeakPolarHBondContact CB-OE2 3.42Å; T756-E758 PolarHBondContact O-N 3.23Å; T756-E758 VanDerWaalsContact OG1-CD 3.3Å; T756-E758 PolarHBondContact OG1-OE2 2.72Å
759	E	56.2	Low	49.2	Very low	95 Å²	95	158.1 Å²	158.1	44%	0.444	74%	0.744	S	S	.	*	S	Bend	trans	-89.9	1.1	178.9	-70.7	172.7	156.1	0	0	112.3	K753 I755 T756	K753-E759 IonicContact NZ-OE1 3.16Å; K753-E759 PolarHBondContact NZ-OE1 3.46Å; I755-E759 WeakPolarHBondContact CA-OE2 3.28Å; I755-E759 HydrophobicContact CG2-CB 4.04Å; T756-E759 PolarHBondContact N-OE2 3.24Å; T756-E759 PolarHBondContact O-N 2.74Å
760	I	52.1	Low	49.6	Very low	119 Å²	119	149.5 Å²	149.5	61%	0.61	72%	0.72	S	S	*	*	S	Bend	trans	-114	109.3	176.5	-54.3	175.6	0	0	0	108.7	I755	I755-I760 HydrophobicContact CG2-CD1 4Å; I755-I760 HydrophobicContact CG2-CG1 3.71Å
761	G	57.9	Low	50.1	Low	66 Å²	66	147.6 Å²	147.6	68%	0.68	71%	0.714	S	S	*	*			trans	-74.1	160.6	179.5	0	0	0	0	0	113.8
762	E	58.1	Low	50.8	Low	183 Å²	183	143 Å²	143	86%	0.855	70%	0.699	S	S	*	*			trans	-67.7	134.2	173.7	-66	-176.7	153	0	0	110.8	T764	E762-T764 PolarHBondContact O-N 2.96Å; E762-T764 VanDerWaalsContact O-N 3.16Å
763	P	48.1	Very low	51.1	Low	96 Å²	96	135.1 Å²	135.1	62%	0.623	68%	0.675	S	S	*	*			trans	-74.6	106.7	-177.5	29.7	-35.1	0	0	0	111.3	F766	P763-F766 HydrophobicContact CB-CD2 4.35Å; P763-F766 HydrophobicContact CB-CE2 3.57Å; P763-F766 HydrophobicContact CB-CZ 3.87Å; P763-F766 HydrophobicContact CG-CE2 3.57Å; P763-F766 HydrophobicContact CG-CZ 4.1Å
764	T	47.7	Very low	51.5	Low	128 Å²	128	134.9 Å²	134.9	79%	0.785	67%	0.669	S	S	*	*			trans	-88.6	163.9	167.1	54.7	0	0	0	0	110.7	E762	E762-T764 PolarHBondContact O-N 2.96Å; E762-T764 VanDerWaalsContact O-N 3.16Å
765	N	47.6	Very low	51.8	Low	167 Å²	167	127.2 Å²	127.2	89%	0.893	65%	0.645	S	S	*	*			trans	70.5	29.8	171.8	-120.8	55.4	0	0	0	117.4
766	F	42.8	Very low	51.4	Low	178 Å²	178	126 Å²	126	78%	0.781	65%	0.646	S	S	*	*			trans	-65.6	132.4	167.6	-80.3	-60.2	0	0	0	112.6	P763	P763-F766 HydrophobicContact CB-CD2 4.35Å; P763-F766 HydrophobicContact CB-CE2 3.57Å; P763-F766 HydrophobicContact CB-CZ 3.87Å; P763-F766 HydrophobicContact CG-CE2 3.57Å; P763-F766 HydrophobicContact CG-CZ 4.1Å
767	E	48.4	Very low	51.1	Low	135 Å²	135	132.6 Å²	132.6	63%	0.631	67%	0.673	S	S	*	*			trans	-118	137.6	174.4	-173.2	178.8	-120.8	0	0	109.9	R769	E767-R769 HydrophobicContact CG-CG 4.44Å; E767-R769 PolarHBondContact O-N 3.11Å; E767-R769 IonicContact OE2-CZ 2.8Å; E767-R769 IonicContact OE2-NE 2.73Å; E767-R769 PolarHBondContact OE2-NE 3.22Å; E767-R769 IonicContact OE2-NH2 3.19Å; E767-R769 PolarHBondContact OE2-NH2 3.21Å
768	H	48.1	Very low	50.9	Low	182 Å²	182	128.2 Å²	128.2	84%	0.843	66%	0.662	S	S	*	*			trans	-97.5	93.1	-167.1	-147.7	-107.7	0	0	0	110.8
769	R	51.2	Low	50.3	Low	193 Å²	193	122 Å²	122	73%	0.728	64%	0.641	S	S	*	*			trans	-90.1	-35	-165	-69.4	-166.2	166.2	-148.9	-5.2	117.1	E767	E767-R769 HydrophobicContact CG-CG 4.44Å; E767-R769 PolarHBondContact O-N 3.11Å; E767-R769 IonicContact OE2-CZ 2.8Å; E767-R769 IonicContact OE2-NE 2.73Å; E767-R769 PolarHBondContact OE2-NE 3.22Å; E767-R769 IonicContact OE2-NH2 3.19Å; E767-R769 PolarHBondContact OE2-NH2 3.21Å
770	V	44.4	Very low	49.7	Very low	76 Å²	76	126.5 Å²	126.5	46%	0.461	66%	0.655	S	S	.	*			trans	-143.7	146.9	177.8	-178.7	0	0	0	0	110.8	V772 V785	V770-V772 HydrophobicContact CG1-CG2 4.34Å; V770-V785 HydrophobicContact CG2-CG2 4.45Å
771	H	44.4	Very low	49.1	Very low	164 Å²	164	123.3 Å²	123.3	76%	0.759	65%	0.647	S	S	*	*			trans	-116.4	127.2	166.1	-176.5	33.9	0	0	0	108.8
772	V	51.8	Low	48.2	Very low	95 Å²	95	121.6 Å²	121.6	58%	0.576	63%	0.629	S	S	*	*			trans	-101.1	127.5	177.7	-179.3	0	0	0	0	108.8	V770	V770-V772 HydrophobicContact CG1-CG2 4.34Å
773	G	50.1	Low	47.2	Very low	35 Å²	35	120.6 Å²	120.6	36%	0.361	62%	0.624	S	S	.	*			trans	-132.3	174.2	-179.9	0	0	0	0	0	112.4
774	W	52.7	Low	46.6	Very low	165 Å²	165	119.3 Å²	119.3	63%	0.625	62%	0.621	S	S	*	*			trans	-124	138.5	176	176.8	92.5	0	0	0	109.3	P776 Y780	W774-P776 HydrophobicContact CH2-CB 3.96Å; W774-P776 HydrophobicContact CZ3-CB 4.28Å; W774-Y780 HydrophobicContact CB-CD1 4.2Å; W774-Y780 HydrophobicContact CB-CE1 4.02Å; W774-Y780 AromaticContact CD1-CD2 3.7Å; W774-Y780 AromaticContact CD1-CE2 3.75Å
775	D	53.7	Low	46.2	Very low	66 Å²	66	116.2 Å²	116.2	35%	0.353	60%	0.602	S	S	.	*	B	Isolated β-bridge	trans	-137.1	139.9	-177.1	170.6	-82.4	0	0	0	110	E777 T778 G779	D775-E777 PolarHBondContact O-N 3.37Å; D775-E777 WeakPolarHBondContact OD1-CA 3.45Å; D775-E777 PolarHBondContact OD1-N 3.34Å; D775-T778 WeakPolarHBondContact CB-OG1 3.44Å; D775-T778 PolarHBondContact OD1-N 3.39Å; D775-T778 PolarHBondContact OD1-OG1 2.93Å; D775-G779 PolarHBondContact N-O 3.33Å; D775-G779 VanDerWaalsContact O-CA 3.25Å; D775-G779 WeakPolarHBondContact O-CA 3.24Å; D775-G779 PolarHBondContact O-N 3.5Å
776	P	48.7	Very low	45.9	Very low	104 Å²	104	114.2 Å²	114.2	68%	0.675	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-14.5	-172.9	30.2	-36.6	0	0	0	115.2	W774	W774-P776 HydrophobicContact CH2-CB 3.96Å; W774-P776 HydrophobicContact CZ3-CB 4.28Å
777	E	48	Very low	45.9	Very low	189 Å²	189	110.3 Å²	110.3	88%	0.883	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-22.8	175.7	-64.3	-168.6	166	0	0	112.4	D775	D775-E777 PolarHBondContact O-N 3.37Å; D775-E777 WeakPolarHBondContact OD1-CA 3.45Å; D775-E777 PolarHBondContact OD1-N 3.34Å
778	T	53.9	Low	45.7	Very low	98 Å²	98	110.8 Å²	110.8	60%	0.601	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.2	-7.6	-174	56.1	0	0	0	0	115.3	D775	D775-T778 WeakPolarHBondContact CB-OG1 3.44Å; D775-T778 PolarHBondContact OD1-N 3.39Å; D775-T778 PolarHBondContact OD1-OG1 2.93Å
779	G	49.8	Very low	45.6	Very low	28 Å²	28	107.5 Å²	107.5	29%	0.289	57%	0.574	S	S	.	*	B	Isolated β-bridge	trans	78.9	-144	178.3	0	0	0	0	0	113.4	D775 A781	D775-G779 PolarHBondContact N-O 3.33Å; D775-G779 VanDerWaalsContact O-CA 3.25Å; D775-G779 WeakPolarHBondContact O-CA 3.24Å; D775-G779 PolarHBondContact O-N 3.5Å; G779-A781 PolarHBondContact O-N 3.2Å
780	Y	45.1	Very low	46	Very low	189 Å²	189	101.4 Å²	101.4	74%	0.741	55%	0.554	S	S	*	*	S	Bend	trans	-75.7	70.9	170.1	-92	-73	0	0	0	110.5	W774 G782	W774-Y780 HydrophobicContact CB-CD1 4.2Å; W774-Y780 HydrophobicContact CB-CE1 4.02Å; W774-Y780 AromaticContact CD1-CD2 3.7Å; W774-Y780 AromaticContact CD1-CE2 3.75Å; Y780-G782 PolarHBondContact O-N 3.04Å
781	A	38.4	Very low	46.9	Very low	53 Å²	53	102 Å²	102	44%	0.438	56%	0.559	S	S	.	*			trans	-73	60.1	169.8	0	0	0	0	0	111.1	G779 H783	G779-A781 PolarHBondContact O-N 3.2Å; A781-H783 PolarHBondContact O-N 3.17Å
782	G	39.2	Very low	47.7	Very low	29 Å²	29	97.1 Å²	97.1	30%	0.299	54%	0.539	S	S	.	.			trans	-62.8	122.4	154.9	0	0	0	0	0	108	Y780 A784	Y780-G782 PolarHBondContact O-N 3.04Å; G782-A784 PolarHBondContact O-N 2.99Å
783	H	36.5	Very low	48.3	Very low	163 Å²	163	94 Å²	94	76%	0.755	52%	0.518	S	S	*	.			trans	-66.1	76.1	155.9	-84.2	-75.4	0	0	0	108.2	A781 V785	A781-H783 PolarHBondContact O-N 3.17Å; H783-V785 PolarHBondContact O-N 3.47Å
784	A	36	Very low	48.9	Very low	68 Å²	68	94.6 Å²	94.6	56%	0.562	51%	0.512	S	S	*	.			trans	-52.9	135.2	149.7	0	0	0	0	0	106.6	G782 T786	G782-A784 PolarHBondContact O-N 2.99Å; A784-T786 PolarHBondContact O-N 2.93Å
785	V	40	Very low	49.5	Very low	64 Å²	64	88.1 Å²	88.1	39%	0.388	49%	0.493	S	S	.	.			trans	-74.8	78.2	179.2	-176	0	0	0	0	108.2	V770 H783 D787 E790	V770-V785 HydrophobicContact CG2-CG2 4.45Å; H783-V785 PolarHBondContact O-N 3.47Å; V785-D787 HydrophobicContact CG1-CB 3.82Å; V785-D787 PolarHBondContact O-N 2.87Å; V785-E790 HydrophobicContact CG1-CB 4.41Å
786	T	39.8	Very low	50.1	Low	124 Å²	124	85.4 Å²	85.4	76%	0.761	48%	0.479	S	S	*	.			trans	-85	36.4	159.3	64.5	0	0	0	0	109.8	A784	A784-T786 PolarHBondContact O-N 2.93Å
787	D	44.4	Very low	51	Low	97 Å²	97	82 Å²	82	52%	0.519	46%	0.455	S	S	.	.			trans	-80.7	115.1	162.7	-165.5	-25.6	0	0	0	106.6	V785 N789 E790	V785-D787 HydrophobicContact CG1-CB 3.82Å; V785-D787 PolarHBondContact O-N 2.87Å; D787-N789 PolarHBondContact O-N 3.48Å; D787-N789 WeakPolarHBondContact OD1-CB 3.38Å; D787-N789 PolarHBondContact OD1-N 3.34Å; D787-N789 PolarHBondContact OD1-ND2 2.76Å; D787-E790 PolarHBondContact O-N 2.76Å
788	E	42.7	Very low	52	Low	145 Å²	145	80.5 Å²	80.5	68%	0.678	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	5.6	-172.8	-47.6	-160.3	104.1	0	0	112.7	K810	E788-K810 IonicContact OE1-NZ 3.93Å; E788-K810 PolarHBondContact OE1-NZ 3.01Å
789	N	47.7	Very low	52.3	Low	113 Å²	113	79.6 Å²	79.6	60%	0.604	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	2.5	-175.6	-56	-77.2	0	0	0	114.2	D787 P791	D787-N789 PolarHBondContact O-N 3.48Å; D787-N789 WeakPolarHBondContact OD1-CB 3.38Å; D787-N789 PolarHBondContact OD1-N 3.34Å; D787-N789 PolarHBondContact OD1-ND2 2.76Å; N789-P791 VanDerWaalsContact O-N 3.14Å
790	E	58.6	Low	52.9	Low	65 Å²	65	79.7 Å²	79.7	30%	0.304	43%	0.426	S	S	.	.			trans	-59	118.7	-175.9	-166.7	163	-134.3	0	0	111.2	V785 D787 D792 I793 Q794	V785-E790 HydrophobicContact CG1-CB 4.41Å; D787-E790 PolarHBondContact O-N 2.76Å; E790-D792 VanDerWaalsContact C-N 3.31Å; E790-D792 PolarHBondContact O-N 3.19Å; E790-I793 HydrophobicContact CB-CD1 4.38Å; E790-I793 PolarHBondContact O-N 3.44Å; E790-Q794 PolarHBondContact O-N 2.84Å
791	P	63.9	Low	53.7	Low	87 Å²	87	75.9 Å²	75.9	57%	0.565	42%	0.418	S	S	*	.	H	α-helix	trans	-68.8	-30.2	-160.3	25.1	-35.2	0	0	0	112.9	N789 Q794 A795	N789-P791 VanDerWaalsContact O-N 3.14Å; P791-Q794 PolarHBondContact O-N 2.79Å; P791-A795 VanDerWaalsContact O-CB 3.32Å; P791-A795 WeakPolarHBondContact O-CB 3.41Å; P791-A795 PolarHBondContact O-N 3.3Å
792	D	60.8	Low	54.5	Low	63 Å²	63	75.3 Å²	75.3	34%	0.337	41%	0.407	S	S	.	.	H	α-helix	trans	-72.2	-35.1	-178.8	-58.5	-34.9	0	0	0	111.4	E790 A795 I796 V823 M827	E790-D792 VanDerWaalsContact C-N 3.31Å; E790-D792 PolarHBondContact O-N 3.19Å; D792-A795 PolarHBondContact O-N 3.43Å; D792-I796 WeakPolarHBondContact O-CG1 3.43Å; D792-I796 PolarHBondContact O-N 2.92Å; D792-V823 HydrophobicContact CB-CG1 4.13Å; D792-M827 HydrophobicContact CB-CE 4.16Å; D792-M827 HydrophobicContact CB-SD 4.48Å; D792-M827 WeakPolarHBondContact OD1-CE 3.11Å
793	I	64.1	Low	55.3	Low	28 Å²	28	78 Å²	78	14%	0.144	42%	0.419	C	S	.	.	H	α-helix	trans	-69.3	-41.6	172.9	-62.5	176.1	0	0	0	110.1	E790 A795 I796 L797 Y814 V823	E790-I793 HydrophobicContact CB-CD1 4.38Å; E790-I793 PolarHBondContact O-N 3.44Å; I793-A795 VanDerWaalsContact C-N 3.3Å; I793-A795 PolarHBondContact O-N 2.82Å; I793-I796 PolarHBondContact O-N 3.16Å; I793-L797 HydrophobicContact CG2-CD1 4.17Å; I793-L797 WeakPolarHBondContact O-CG 3.35Å; I793-L797 PolarHBondContact O-N 2.92Å; I793-Y814 HydrophobicContact CD1-CE1 4.05Å; I793-V823 HydrophobicContact CG1-CG2 4.45Å
794	Q	63.3	Low	56.2	Low	49 Å²	49	75.4 Å²	75.4	23%	0.229	42%	0.416	C	S	.	.	H	α-helix	trans	-65.7	-31.8	172.2	-63.3	-165.5	3.7	0	0	112.8	E790 P791 R798	E790-Q794 PolarHBondContact O-N 2.84Å; P791-Q794 PolarHBondContact O-N 2.79Å; Q794-R798 WeakPolarHBondContact O-CB 3.39Å; Q794-R798 VanDerWaalsContact O-CG 3.23Å; Q794-R798 WeakPolarHBondContact O-CG 3.35Å; Q794-R798 PolarHBondContact O-N 3.41Å
795	A	65.8	Low	57	Low	29 Å²	29	77.6 Å²	77.6	24%	0.24	42%	0.418	C	S	.	.	H	α-helix	trans	-68.3	-44.7	175.4	0	0	0	0	0	111.1	P791 D792 I793 R798 M799	P791-A795 VanDerWaalsContact O-CB 3.32Å; P791-A795 WeakPolarHBondContact O-CB 3.41Å; P791-A795 PolarHBondContact O-N 3.3Å; D792-A795 PolarHBondContact O-N 3.43Å; I793-A795 VanDerWaalsContact C-N 3.3Å; I793-A795 PolarHBondContact O-N 2.82Å; A795-R798 PolarHBondContact O-N 3.35Å; A795-M799 HydrophobicContact CB-CE 4.07Å; A795-M799 WeakPolarHBondContact O-CB 3.28Å; A795-M799 VanDerWaalsContact O-CE 3.3Å; A795-M799 WeakPolarHBondContact O-CE 3.36Å; A795-M799 WeakPolarHBondContact O-CG 3.37Å; A795-M799 PolarHBondContact O-N 3.06Å
796	I	65.6	Low	57.8	Low	8 Å²	8	78.5 Å²	78.5	4%	0.041	42%	0.417	C	S	.	.	H	α-helix	trans	-58.9	-53.1	172.8	-70.2	167.6	0	0	0	110.2	D792 I793 R798 M799 V800 V823 V826 M827	D792-I796 WeakPolarHBondContact O-CG1 3.43Å; D792-I796 PolarHBondContact O-N 2.92Å; I793-I796 PolarHBondContact O-N 3.16Å; I796-R798 VanDerWaalsContact C-N 3.31Å; I796-R798 PolarHBondContact O-N 2.98Å; I796-M799 CarbonylContact O-C 3.56Å; I796-M799 WeakPolarHBondContact O-CA 3.15Å; I796-M799 PolarHBondContact O-N 3.49Å; I796-V800 HydrophobicContact CG2-CG2 3.93Å; I796-V800 WeakPolarHBondContact O-CG2 3.36Å; I796-V800 PolarHBondContact O-N 3.47Å; I796-V823 HydrophobicContact CD1-CG1 3.94Å; I796-V826 HydrophobicContact CD1-CB 4.28Å; I796-V826 HydrophobicContact CD1-CG1 3.98Å; I796-V826 HydrophobicContact CG1-CG1 4.2Å; I796-M827 HydrophobicContact CD1-CG 4.39Å; I796-M827 HydrophobicContact CG1-SD 4.35Å
797	L	68.5	Low	58.4	Low	33 Å²	33	79.9 Å²	79.9	17%	0.173	41%	0.412	C	S	.	.	H	α-helix	trans	-56.5	-42.2	-179.9	-73	169	0	0	0	112.7	I793 M799 N801 L802	I793-L797 HydrophobicContact CG2-CD1 4.17Å; I793-L797 WeakPolarHBondContact O-CG 3.35Å; I793-L797 PolarHBondContact O-N 2.92Å; L797-M799 VanDerWaalsContact C-N 3.32Å; L797-M799 PolarHBondContact O-N 2.86Å; L797-N801 PolarHBondContact O-N 2.88Å; L797-N801 VanDerWaalsContact O-N 3.14Å; L797-L802 HydrophobicContact CD2-CB 3.86Å; L797-L802 HydrophobicContact CD2-CD1 3.94Å; L797-L802 PolarHBondContact O-N 3.34Å
798	R	67	Low	58.9	Low	158 Å²	158	84.2 Å²	84.2	60%	0.596	43%	0.429	S	S	*	.	H	α-helix	trans	-64.9	-32	173.5	-73.3	175	-172.2	114.5	9.7	113.1	Q794 A795 I796	Q794-R798 WeakPolarHBondContact O-CB 3.39Å; Q794-R798 VanDerWaalsContact O-CG 3.23Å; Q794-R798 WeakPolarHBondContact O-CG 3.35Å; Q794-R798 PolarHBondContact O-N 3.41Å; A795-R798 PolarHBondContact O-N 3.35Å; I796-R798 VanDerWaalsContact C-N 3.31Å; I796-R798 PolarHBondContact O-N 2.98Å
799	M	60.3	Low	59.7	Low	78 Å²	78	79.8 Å²	79.8	38%	0.384	41%	0.41	S	S	.	.	H	α-helix	trans	-83.5	-28.9	179.4	-75.4	-174.1	-77.1	0	0	114.2	A795 I796 L797 N801 L830	A795-M799 HydrophobicContact CB-CE 4.07Å; A795-M799 WeakPolarHBondContact O-CB 3.28Å; A795-M799 VanDerWaalsContact O-CE 3.3Å; A795-M799 WeakPolarHBondContact O-CE 3.36Å; A795-M799 WeakPolarHBondContact O-CG 3.37Å; A795-M799 PolarHBondContact O-N 3.06Å; I796-M799 CarbonylContact O-C 3.56Å; I796-M799 WeakPolarHBondContact O-CA 3.15Å; I796-M799 PolarHBondContact O-N 3.49Å; L797-M799 VanDerWaalsContact C-N 3.32Å; L797-M799 PolarHBondContact O-N 2.86Å; M799-N801 VanDerWaalsContact C-N 3.28Å; M799-L830 HydrophobicContact CE-CD1 3.87Å; M799-L830 HydrophobicContact SD-CD1 4.32Å; M799-L830 HydrophobicContact SD-CD2 4.43Å
800	V	63.2	Low	60.1	Low	30 Å²	30	78.9 Å²	78.9	18%	0.182	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	4.7	167.8	-115	0	0	0	0	113.4	I796 L802 L1034 A1035 L1038	I796-V800 HydrophobicContact CG2-CG2 3.93Å; I796-V800 WeakPolarHBondContact O-CG2 3.36Å; I796-V800 PolarHBondContact O-N 3.47Å; V800-L802 VanDerWaalsContact C-N 3.26Å; V800-L802 PolarHBondContact O-N 3.32Å; V800-L1034 HydrophobicContact CG1-CD2 4.1Å; V800-L1034 HydrophobicContact CG1-CG 4.18Å; V800-L1034 HydrophobicContact CG2-CD2 4.05Å; V800-A1035 HydrophobicContact CG1-CB 4.2Å; V800-L1038 HydrophobicContact CG1-CD1 4.48Å
801	N	62.8	Low	60.1	Low	110 Å²	110	84.7 Å²	84.7	59%	0.588	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	32.7	177.1	-144.5	13.8	0	0	0	113.7	L797 M799	L797-N801 PolarHBondContact O-N 2.88Å; L797-N801 VanDerWaalsContact O-N 3.14Å; M799-N801 VanDerWaalsContact C-N 3.28Å
802	L	55.2	Low	59.9	Low	40 Å²	40	81.4 Å²	81.4	21%	0.209	41%	0.406	C	S	.	.			trans	-91.6	131.4	178.8	-80.4	173.3	0	0	0	111.5	L797 V800 F806 L1038	L797-L802 HydrophobicContact CD2-CB 3.86Å; L797-L802 HydrophobicContact CD2-CD1 3.94Å; L797-L802 PolarHBondContact O-N 3.34Å; V800-L802 VanDerWaalsContact C-N 3.26Å; V800-L802 PolarHBondContact O-N 3.32Å; L802-F806 HydrophobicContact CD2-CE2 3.83Å; L802-F806 HydrophobicContact CD2-CZ 4.39Å; L802-L1038 HydrophobicContact CD1-CD1 3.93Å
803	P	54.5	Low	60.1	Low	85 Å²	85	79.8 Å²	79.8	55%	0.552	40%	0.398	S	S	*	.			trans	-46.3	143.7	165.2	-32.3	33	0	0	0	114.7	D805 F806	P803-D805 VanDerWaalsContact C-N 3.32Å; P803-D805 PolarHBondContact O-N 2.94Å; P803-F806 HydrophobicContact CB-CD2 4.29Å; P803-F806 HydrophobicContact CB-CE2 3.99Å; P803-F806 HydrophobicContact CG-CE2 4.1Å; P803-F806 WeakPolarHBondContact O-CD2 3.35Å
804	T	56.2	Low	60.1	Low	110 Å²	110	82.8 Å²	82.8	68%	0.675	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	10.3	-176.7	52	0	0	0	0	115
805	D	53.8	Low	60.1	Low	114 Å²	114	83.1 Å²	83.1	61%	0.61	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	26.2	-175.7	-162	16.3	0	0	0	113.2	P803 K807	P803-D805 VanDerWaalsContact C-N 3.32Å; P803-D805 PolarHBondContact O-N 2.94Å; D805-K807 PolarHBondContact O-N 2.72Å; D805-K807 WeakPolarHBondContact OD1-CE 3.05Å; D805-K807 IonicContact OD1-NZ 2.8Å; D805-K807 PolarHBondContact OD1-NZ 2.93Å; D805-K807 IonicContact OD2-NZ 3.36Å
806	F	56	Low	60.1	Low	83 Å²	83	82.4 Å²	82.4	36%	0.364	41%	0.408	S	S	.	.			trans	-71.8	87	172.9	-84.6	-77.9	0	0	0	111.6	L802 P803 D809	L802-F806 HydrophobicContact CD2-CE2 3.83Å; L802-F806 HydrophobicContact CD2-CZ 4.39Å; P803-F806 HydrophobicContact CB-CD2 4.29Å; P803-F806 HydrophobicContact CB-CE2 3.99Å; P803-F806 HydrophobicContact CG-CE2 4.1Å; P803-F806 WeakPolarHBondContact O-CD2 3.35Å; F806-D809 HydrophobicContact CB-CB 4.47Å; F806-D809 HydrophobicContact CD1-CB 3.94Å; F806-D809 VanDerWaalsContact CD1-OD2 3.25Å; F806-D809 WeakPolarHBondContact CD1-OD2 3.44Å; F806-D809 WeakPolarHBondContact CE1-OD2 3.35Å; F806-D809 HydrophobicContact CG-CB 4.49Å
807	K	53	Low	60.3	Low	152 Å²	152	82.2 Å²	82.2	66%	0.661	41%	0.407	S	S	*	.	S	Bend	trans	-74.1	-32.8	174.7	-72.6	173.4	-180	127.3	0	113	D805	D805-K807 PolarHBondContact O-N 2.72Å; D805-K807 WeakPolarHBondContact OD1-CE 3.05Å; D805-K807 IonicContact OD1-NZ 2.8Å; D805-K807 PolarHBondContact OD1-NZ 2.93Å; D805-K807 IonicContact OD2-NZ 3.36Å
808	E	54.1	Low	60.3	Low	188 Å²	188	85.9 Å²	85.9	88%	0.879	43%	0.427	S	S	*	.	S	Bend	trans	-90.1	-39.8	-171.3	-67.7	167.8	157.2	0	0	111.9	K810	E808-K810 PolarHBondContact O-N 2.83Å
809	D	58.4	Low	60.3	Low	53 Å²	53	85.8 Å²	85.8	28%	0.283	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	1.8	-178	-69.4	-57.1	0	0	0	115.9	F806 K811 A812 V813	F806-D809 HydrophobicContact CB-CB 4.47Å; F806-D809 HydrophobicContact CD1-CB 3.94Å; F806-D809 VanDerWaalsContact CD1-OD2 3.25Å; F806-D809 WeakPolarHBondContact CD1-OD2 3.44Å; F806-D809 WeakPolarHBondContact CE1-OD2 3.35Å; F806-D809 HydrophobicContact CG-CB 4.49Å; D809-K811 PolarHBondContact O-N 3.32Å; D809-A812 WeakPolarHBondContact O-CB 3.31Å; D809-A812 PolarHBondContact O-N 3.46Å; D809-V813 PolarHBondContact O-N 3.48Å; D809-V813 VanDerWaalsContact O-N 3.14Å
810	K	57.1	Low	60.6	Low	93 Å²	93	84.9 Å²	84.9	40%	0.404	43%	0.427	S	S	.	.	H	α-helix	trans	-47.1	-43.4	-177.3	-109.4	176.3	-177.7	178.5	0	112.5	E788 E808 Y814	E788-K810 IonicContact OE1-NZ 3.93Å; E788-K810 PolarHBondContact OE1-NZ 3.01Å; E808-K810 PolarHBondContact O-N 2.83Å; K810-Y814 HydrophobicContact CG-CE2 4.4Å; K810-Y814 WeakPolarHBondContact O-CD2 3.41Å; K810-Y814 PolarHBondContact O-N 3.33Å; K810-Y814 VanDerWaalsContact O-N 3.14Å
811	K	58.8	Low	60.8	Low	188 Å²	188	86.3 Å²	86.3	82%	0.817	45%	0.448	S	S	*	.	H	α-helix	trans	-64.9	-39.1	177.9	-79.5	-175.6	175.6	178.7	0	113.6	D809 S815	D809-K811 PolarHBondContact O-N 3.32Å; K811-S815 WeakPolarHBondContact O-CB 3.39Å; K811-S815 PolarHBondContact O-N 3.14Å; K811-S815 PolarHBondContact O-OG 3.49Å
812	A	59.4	Low	61.2	Low	18 Å²	18	81.8 Å²	81.8	15%	0.149	43%	0.427	C	S	.	.	H	α-helix	trans	-67.6	-44.7	-180	0	0	0	0	0	111.1	D809 Y814 S815 V816	D809-A812 WeakPolarHBondContact O-CB 3.31Å; D809-A812 PolarHBondContact O-N 3.46Å; A812-Y814 PolarHBondContact O-N 3.43Å; A812-S815 WeakPolarHBondContact CA-OG 3.47Å; A812-S815 PolarHBondContact O-N 3.43Å; A812-S815 PolarHBondContact O-OG 3.24Å; A812-V816 WeakPolarHBondContact O-CG2 3.43Å; A812-V816 PolarHBondContact O-N 3.22Å; A812-V816 VanDerWaalsContact O-N 3.07Å
813	V	64.5	Low	61.8	Low	29 Å²	29	81.9 Å²	81.9	18%	0.176	43%	0.43	C	S	.	.	H	α-helix	trans	-59	-48.5	176.1	179.2	0	0	0	0	110.7	D809 S815 V816 I817	D809-V813 PolarHBondContact O-N 3.48Å; D809-V813 VanDerWaalsContact O-N 3.14Å; V813-S815 PolarHBondContact O-N 2.87Å; V813-V816 PolarHBondContact O-N 3.15Å; V813-I817 HydrophobicContact CG1-CD1 3.86Å; V813-I817 WeakPolarHBondContact O-CG1 3.38Å; V813-I817 PolarHBondContact O-N 3.31Å
814	Y	64.2	Low	62.4	Low	91 Å²	91	84.6 Å²	84.6	36%	0.357	44%	0.435	S	S	.	.	H	α-helix	trans	-64.8	-36.7	176.6	-74.8	-57.8	0	0	0	113.5	I793 K810 A812 V816 N818	I793-Y814 HydrophobicContact CD1-CE1 4.05Å; K810-Y814 HydrophobicContact CG-CE2 4.4Å; K810-Y814 WeakPolarHBondContact O-CD2 3.41Å; K810-Y814 PolarHBondContact O-N 3.33Å; K810-Y814 VanDerWaalsContact O-N 3.14Å; A812-Y814 PolarHBondContact O-N 3.43Å; Y814-V816 PolarHBondContact O-N 3.48Å; Y814-N818 WeakPolarHBondContact O-CB 3.45Å; Y814-N818 VanDerWaalsContact O-CG 3.3Å; Y814-N818 PolarHBondContact O-N 2.87Å; Y814-N818 PolarHBondContact O-ND2 3.02Å
815	S	64.4	Low	63	Low	56 Å²	56	80.1 Å²	80.1	39%	0.392	41%	0.409	S	S	.	.	H	α-helix	trans	-64.9	-39.2	177.1	61.1	0	0	0	0	112.7	K811 A812 V813 N818 Q819	K811-S815 WeakPolarHBondContact O-CB 3.39Å; K811-S815 PolarHBondContact O-N 3.14Å; K811-S815 PolarHBondContact O-OG 3.49Å; A812-S815 WeakPolarHBondContact CA-OG 3.47Å; A812-S815 PolarHBondContact O-N 3.43Å; A812-S815 PolarHBondContact O-OG 3.24Å; V813-S815 PolarHBondContact O-N 2.87Å; S815-N818 PolarHBondContact O-N 2.86Å; S815-Q819 WeakPolarHBondContact O-CG 3.43Å; S815-Q819 PolarHBondContact O-N 3.05Å
816	V	64.4	Low	63.7	Low	13 Å²	13	74.9 Å²	74.9	8%	0.079	38%	0.381	C	S	.	.	H	α-helix	trans	-74.8	-38.8	-179.9	-178.2	0	0	0	0	111.1	A812 V813 Y814 N818 Q819 F820 L1034	A812-V816 WeakPolarHBondContact O-CG2 3.43Å; A812-V816 PolarHBondContact O-N 3.22Å; A812-V816 VanDerWaalsContact O-N 3.07Å; V813-V816 PolarHBondContact O-N 3.15Å; Y814-V816 PolarHBondContact O-N 3.48Å; V816-N818 VanDerWaalsContact C-N 3.26Å; V816-N818 PolarHBondContact O-N 2.93Å; V816-Q819 PolarHBondContact O-N 3.42Å; V816-F820 HydrophobicContact CG1-CD2 3.81Å; V816-F820 HydrophobicContact CG1-CE2 3.6Å; V816-F820 VanDerWaalsContact O-CD2 3.27Å; V816-F820 WeakPolarHBondContact O-CD2 3.29Å; V816-F820 PolarHBondContact O-N 3.01Å; V816-F820 VanDerWaalsContact O-N 3.12Å; V816-L1034 HydrophobicContact CB-CD1 4.22Å; V816-L1034 HydrophobicContact CG1-CD1 3.53Å
817	I	70	Confident	64.2	Low	4 Å²	4	73.4 Å²	73.4	2%	0.021	38%	0.376	C	S	.	.	H	α-helix	trans	-57.2	-41.4	171.5	-71	169.8	0	0	0	110.9	V813 F820 G821 G822 V823	V813-I817 HydrophobicContact CG1-CD1 3.86Å; V813-I817 WeakPolarHBondContact O-CG1 3.38Å; V813-I817 PolarHBondContact O-N 3.31Å; I817-F820 PolarHBondContact O-N 2.92Å; I817-G821 PolarHBondContact O-N 3.46Å; I817-G822 WeakPolarHBondContact O-CA 3.22Å; I817-G822 PolarHBondContact O-N 3.25Å; I817-V823 HydrophobicContact CG2-CG2 3.88Å
818	N	68.9	Low	65.1	Low	110 Å²	110	72.7 Å²	72.7	59%	0.588	37%	0.369	S	S	*	.	H	α-helix	trans	-70.3	-36	177.2	-72.2	-15.3	0	0	0	113	Y814 S815 V816 F820 G821	Y814-N818 WeakPolarHBondContact O-CB 3.45Å; Y814-N818 VanDerWaalsContact O-CG 3.3Å; Y814-N818 PolarHBondContact O-N 2.87Å; Y814-N818 PolarHBondContact O-ND2 3.02Å; S815-N818 PolarHBondContact O-N 2.86Å; V816-N818 VanDerWaalsContact C-N 3.26Å; V816-N818 PolarHBondContact O-N 2.93Å; N818-F820 PolarHBondContact O-N 3.43Å; N818-G821 PolarHBondContact O-N 3.27Å
819	Q	67.7	Low	65.7	Low	156 Å²	156	67.1 Å²	67.1	73%	0.729	35%	0.345	S	S	*	.	H	α-helix	trans	-60.5	-31.7	171.9	-77.6	177.4	-34.5	0	0	112.8	S815 V816 G821	S815-Q819 WeakPolarHBondContact O-CG 3.43Å; S815-Q819 PolarHBondContact O-N 3.05Å; V816-Q819 PolarHBondContact O-N 3.42Å; Q819-G821 VanDerWaalsContact C-N 3.31Å; Q819-G821 PolarHBondContact O-N 2.99Å
820	F	65.4	Low	66	Low	60 Å²	60	65.7 Å²	65.7	26%	0.263	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	13.4	174.3	-71.1	-65.4	0	0	0	114.6	V816 I817 N818 A825 V826 I1030 A1033 L1034	V816-F820 HydrophobicContact CG1-CD2 3.81Å; V816-F820 HydrophobicContact CG1-CE2 3.6Å; V816-F820 VanDerWaalsContact O-CD2 3.27Å; V816-F820 WeakPolarHBondContact O-CD2 3.29Å; V816-F820 PolarHBondContact O-N 3.01Å; V816-F820 VanDerWaalsContact O-N 3.12Å; I817-F820 PolarHBondContact O-N 2.92Å; N818-F820 PolarHBondContact O-N 3.43Å; F820-A825 VanDerWaalsContact O-CB 3.28Å; F820-A825 WeakPolarHBondContact O-CB 3.48Å; F820-V826 HydrophobicContact CB-CG2 4.27Å; F820-I1030 HydrophobicContact CB-CD1 4.44Å; F820-I1030 HydrophobicContact CB-CG2 3.77Å; F820-I1030 HydrophobicContact CD1-CB 4.36Å; F820-I1030 HydrophobicContact CD1-CD1 4.34Å; F820-I1030 HydrophobicContact CD1-CG1 3.97Å; F820-I1030 HydrophobicContact CD1-CG2 3.8Å; F820-I1030 HydrophobicContact CD2-CG2 4.17Å; F820-I1030 HydrophobicContact CE1-CG2 4.46Å; F820-I1030 HydrophobicContact CG-CG2 3.65Å; F820-A1033 HydrophobicContact CE1-CB 4.02Å; F820-A1033 HydrophobicContact CZ-CB 3.63Å; F820-L1034 HydrophobicContact CE2-CB 4.42Å
821	G	67.8	Low	66.5	Low	59 Å²	59	66.9 Å²	66.9	61%	0.608	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.6	14.8	175.2	0	0	0	0	0	115.5	I817 N818 Q819 A825	I817-G821 PolarHBondContact O-N 3.46Å; N818-G821 PolarHBondContact O-N 3.27Å; Q819-G821 VanDerWaalsContact C-N 3.31Å; Q819-G821 PolarHBondContact O-N 2.99Å; G821-A825 WeakPolarHBondContact O-CB 3.46Å
822	G	71.3	Confident	66.8	Low	15 Å²	15	63.6 Å²	63.6	16%	0.155	33%	0.332	C	S	.	.			trans	90.5	172.1	174.7	0	0	0	0	0	114.5	I817 E824 A825 V826	I817-G822 WeakPolarHBondContact O-CA 3.22Å; I817-G822 PolarHBondContact O-N 3.25Å; G822-E824 VanDerWaalsContact C-N 3.27Å; G822-E824 PolarHBondContact O-N 3.44Å; G822-A825 WeakPolarHBondContact O-CB 3.32Å; G822-A825 PolarHBondContact O-N 3.31Å; G822-V826 PolarHBondContact O-N 3.24Å
823	V	69	Low	66.8	Low	43 Å²	43	65 Å²	65	26%	0.261	34%	0.335	S	S	.	.	H	α-helix	trans	-52.7	-43.1	-175.6	179.1	0	0	0	0	111.9	D792 I793 I796 I817 A825 V826 M827	D792-V823 HydrophobicContact CB-CG1 4.13Å; I793-V823 HydrophobicContact CG1-CG2 4.45Å; I796-V823 HydrophobicContact CD1-CG1 3.94Å; I817-V823 HydrophobicContact CG2-CG2 3.88Å; V823-A825 VanDerWaalsContact C-N 3.35Å; V823-A825 PolarHBondContact O-N 3.17Å; V823-V826 PolarHBondContact O-N 2.97Å; V823-M827 HydrophobicContact CG1-CG 4.34Å; V823-M827 WeakPolarHBondContact O-CB 3.35Å; V823-M827 VanDerWaalsContact O-CG 3.3Å; V823-M827 WeakPolarHBondContact O-CG 3.44Å; V823-M827 PolarHBondContact O-N 2.92Å
824	E	66.9	Low	66.6	Low	141 Å²	141	69.2 Å²	69.2	66%	0.659	35%	0.353	S	S	*	.	H	α-helix	trans	-61.7	-38.2	177.1	-67.9	-164.1	163.3	0	0	113.6	G822 R828	G822-E824 VanDerWaalsContact C-N 3.27Å; G822-E824 PolarHBondContact O-N 3.44Å; E824-R828 WeakPolarHBondContact O-CB 3.37Å; E824-R828 PolarHBondContact O-N 2.9Å; E824-R828 IonicContact OE2-CZ 2.71Å; E824-R828 IonicContact OE2-NH2 3.25Å; E824-R828 PolarHBondContact OE2-NH2 3.22Å
825	A	68.6	Low	66.4	Low	17 Å²	17	73.4 Å²	73.4	14%	0.14	37%	0.368	C	S	.	.	H	α-helix	trans	-69.4	-44.1	-179.1	0	0	0	0	0	110.6	F820 G821 G822 V823 M827 R828 D829	F820-A825 VanDerWaalsContact O-CB 3.28Å; F820-A825 WeakPolarHBondContact O-CB 3.48Å; G821-A825 WeakPolarHBondContact O-CB 3.46Å; G822-A825 WeakPolarHBondContact O-CB 3.32Å; G822-A825 PolarHBondContact O-N 3.31Å; V823-A825 VanDerWaalsContact C-N 3.35Å; V823-A825 PolarHBondContact O-N 3.17Å; A825-M827 PolarHBondContact O-N 3.44Å; A825-R828 PolarHBondContact O-N 2.83Å; A825-D829 PolarHBondContact O-N 2.92Å
826	V	67.7	Low	66	Low	3 Å²	3	74.1 Å²	74.1	2%	0.018	37%	0.37	C	S	.	.	H	α-helix	trans	-59.1	-46.9	174.3	-179.9	0	0	0	0	111	I796 F820 G822 V823 L830 I1030	I796-V826 HydrophobicContact CD1-CB 4.28Å; I796-V826 HydrophobicContact CD1-CG1 3.98Å; I796-V826 HydrophobicContact CG1-CG1 4.2Å; F820-V826 HydrophobicContact CB-CG2 4.27Å; G822-V826 PolarHBondContact O-N 3.24Å; V823-V826 PolarHBondContact O-N 2.97Å; V826-L830 HydrophobicContact CG1-CD1 4.01Å; V826-L830 WeakPolarHBondContact O-CB 3.42Å; V826-L830 WeakPolarHBondContact O-CD1 3.37Å; V826-L830 VanDerWaalsContact O-CG 3.29Å; V826-L830 WeakPolarHBondContact O-CG 3.42Å; V826-L830 PolarHBondContact O-N 3.17Å; V826-L830 VanDerWaalsContact O-N 3.08Å; V826-I1030 HydrophobicContact CG2-CG2 4.12Å
827	M	67.7	Low	65.5	Low	52 Å²	52	79.1 Å²	79.1	26%	0.256	39%	0.391	S	S	.	.	H	α-helix	trans	-63.5	-41.3	177.2	-73.7	-74.1	-79.4	0	0	112.6	D792 I796 V823 A825 L830 E831	D792-M827 HydrophobicContact CB-CE 4.16Å; D792-M827 HydrophobicContact CB-SD 4.48Å; D792-M827 WeakPolarHBondContact OD1-CE 3.11Å; I796-M827 HydrophobicContact CD1-CG 4.39Å; I796-M827 HydrophobicContact CG1-SD 4.35Å; V823-M827 HydrophobicContact CG1-CG 4.34Å; V823-M827 WeakPolarHBondContact O-CB 3.35Å; V823-M827 VanDerWaalsContact O-CG 3.3Å; V823-M827 WeakPolarHBondContact O-CG 3.44Å; V823-M827 PolarHBondContact O-N 2.92Å; A825-M827 PolarHBondContact O-N 3.44Å; M827-L830 PolarHBondContact O-N 3.38Å; M827-E831 PolarHBondContact O-N 3.36Å
828	R	70	Confident	64.6	Low	137 Å²	137	82 Å²	82	52%	0.517	42%	0.415	S	S	.	.	H	α-helix	trans	-69.2	-36	-177.4	-168.8	-176.8	-59.8	128.8	-0.4	112.6	E824 A825 H832	E824-R828 WeakPolarHBondContact O-CB 3.37Å; E824-R828 PolarHBondContact O-N 2.9Å; E824-R828 IonicContact OE2-CZ 2.71Å; E824-R828 IonicContact OE2-NH2 3.25Å; E824-R828 PolarHBondContact OE2-NH2 3.22Å; A825-R828 PolarHBondContact O-N 2.83Å; R828-H832 PolarHBondContact O-N 2.88Å; R828-H832 VanDerWaalsContact O-N 3.1Å
829	D	67.9	Low	63.7	Low	71 Å²	71	81.6 Å²	81.6	38%	0.38	42%	0.417	S	S	.	.	H	α-helix	trans	-72.2	-37.9	171.8	-94.6	29.1	0	0	0	111.8	A825 H832 E833 I1030	A825-D829 PolarHBondContact O-N 2.92Å; D829-H832 WeakPolarHBondContact O-CB 3.27Å; D829-H832 PolarHBondContact O-N 3.38Å; D829-H832 VanDerWaalsContact O-N 3.11Å; D829-E833 PolarHBondContact O-N 3.02Å; D829-I1030 HydrophobicContact CB-CD1 4.28Å; D829-I1030 WeakPolarHBondContact OD2-CD1 3.39Å
830	L	65.5	Low	62.7	Low	24 Å²	24	80.9 Å²	80.9	13%	0.126	42%	0.417	C	S	.	.	H	α-helix	trans	-61.3	-44.3	172.7	-77.6	166.2	0	0	0	112.2	M799 V826 M827 H832 E833 Q834 A1031	M799-L830 HydrophobicContact CE-CD1 3.87Å; M799-L830 HydrophobicContact SD-CD1 4.32Å; M799-L830 HydrophobicContact SD-CD2 4.43Å; V826-L830 HydrophobicContact CG1-CD1 4.01Å; V826-L830 WeakPolarHBondContact O-CB 3.42Å; V826-L830 WeakPolarHBondContact O-CD1 3.37Å; V826-L830 VanDerWaalsContact O-CG 3.29Å; V826-L830 WeakPolarHBondContact O-CG 3.42Å; V826-L830 PolarHBondContact O-N 3.17Å; V826-L830 VanDerWaalsContact O-N 3.08Å; M827-L830 PolarHBondContact O-N 3.38Å; L830-H832 VanDerWaalsContact C-N 3.27Å; L830-H832 PolarHBondContact O-N 3.19Å; L830-E833 PolarHBondContact O-N 3.25Å; L830-Q834 WeakPolarHBondContact O-CG 3.47Å; L830-Q834 PolarHBondContact O-N 3.26Å; L830-A1031 HydrophobicContact CD2-CB 3.9Å
831	E	67.2	Low	61.8	Low	118 Å²	118	84.7 Å²	84.7	55%	0.551	44%	0.44	S	S	*	.	H	α-helix	trans	-60.4	-37.2	171.4	-76.4	-159.2	136.3	0	0	112	M827 R835	M827-E831 PolarHBondContact O-N 3.36Å; E831-R835 WeakPolarHBondContact O-CB 3.5Å; E831-R835 WeakPolarHBondContact O-CG 3.3Å; E831-R835 PolarHBondContact O-N 2.8Å
832	H	65.1	Low	60.4	Low	119 Å²	119	85.3 Å²	85.3	55%	0.551	44%	0.44	S	S	*	.	H	α-helix	trans	-67.8	-43.8	178.6	-162.5	-14.9	0	0	0	111.7	R828 D829 L830 R835 V836	R828-H832 PolarHBondContact O-N 2.88Å; R828-H832 VanDerWaalsContact O-N 3.1Å; D829-H832 WeakPolarHBondContact O-CB 3.27Å; D829-H832 PolarHBondContact O-N 3.38Å; D829-H832 VanDerWaalsContact O-N 3.11Å; L830-H832 VanDerWaalsContact C-N 3.27Å; L830-H832 PolarHBondContact O-N 3.19Å; H832-R835 PolarHBondContact O-N 3.05Å; H832-V836 WeakPolarHBondContact O-CG2 3.43Å; H832-V836 PolarHBondContact O-N 3.41Å
833	E	58.2	Low	58.7	Low	46 Å²	46	90.6 Å²	90.6	22%	0.215	47%	0.472	C	S	.	.	H	α-helix	trans	-63	-43.4	174.4	-72.2	-144.6	159.1	0	0	112	D829 L830 R835 V836 K837 H1028 G1029	D829-E833 PolarHBondContact O-N 3.02Å; L830-E833 PolarHBondContact O-N 3.25Å; E833-R835 PolarHBondContact O-N 2.96Å; E833-V836 PolarHBondContact O-N 2.97Å; E833-K837 PolarHBondContact O-N 3.3Å; E833-H1028 WeakPolarHBondContact OE1-CA 3.49Å; E833-H1028 WeakPolarHBondContact OE1-CB 3.49Å; E833-G1029 PolarHBondContact OE1-N 2.8Å
834	Q	61	Low	57.2	Low	119 Å²	119	94.2 Å²	94.2	56%	0.556	50%	0.499	S	S	*	.	H	α-helix	trans	-62.5	-41.2	177	-71.6	-176.3	20.9	0	0	111.7	L830 V836 K837 A838	L830-Q834 WeakPolarHBondContact O-CG 3.47Å; L830-Q834 PolarHBondContact O-N 3.26Å; Q834-V836 VanDerWaalsContact C-N 3.35Å; Q834-V836 PolarHBondContact O-N 3.4Å; Q834-K837 PolarHBondContact O-N 2.85Å; Q834-A838 VanDerWaalsContact O-CB 3.28Å; Q834-A838 WeakPolarHBondContact O-CB 3.35Å; Q834-A838 PolarHBondContact O-N 2.85Å
835	R	59.4	Low	56	Low	178 Å²	178	93.2 Å²	93.2	67%	0.672	50%	0.504	S	S	*	.	H	α-helix	trans	-65	-35.1	173.8	-78.3	-178.5	172.3	-173.3	2	112.9	E831 H832 E833 A838 T839	E831-R835 WeakPolarHBondContact O-CB 3.5Å; E831-R835 WeakPolarHBondContact O-CG 3.3Å; E831-R835 PolarHBondContact O-N 2.8Å; H832-R835 PolarHBondContact O-N 3.05Å; E833-R835 PolarHBondContact O-N 2.96Å; R835-A838 PolarHBondContact O-N 3.49Å; R835-T839 WeakPolarHBondContact O-CB 3.23Å; R835-T839 PolarHBondContact O-N 3.43Å; R835-T839 PolarHBondContact O-OG1 3.2Å
836	V	56.5	Low	54.6	Low	71 Å²	71	98.3 Å²	98.3	43%	0.43	54%	0.536	S	S	.	.	H	α-helix	trans	-70.6	-45.7	176.3	169.6	0	0	0	0	111	H832 E833 Q834 A838 T839 L840	H832-V836 WeakPolarHBondContact O-CG2 3.43Å; H832-V836 PolarHBondContact O-N 3.41Å; E833-V836 PolarHBondContact O-N 2.97Å; Q834-V836 VanDerWaalsContact C-N 3.35Å; Q834-V836 PolarHBondContact O-N 3.4Å; V836-A838 VanDerWaalsContact C-N 3.26Å; V836-A838 PolarHBondContact O-N 2.9Å; V836-T839 PolarHBondContact O-N 3.44Å; V836-T839 PolarHBondContact O-OG1 3.04Å; V836-L840 PolarHBondContact O-N 3.48Å
837	K	53.5	Low	53.6	Low	118 Å²	118	103.7 Å²	103.7	51%	0.513	57%	0.571	S	S	.	*	H	α-helix	trans	-61.8	-31.6	173.3	-72.4	177.2	175.8	171.7	0	112.3	E833 Q834 N841	E833-K837 PolarHBondContact O-N 3.3Å; Q834-K837 PolarHBondContact O-N 2.85Å; K837-N841 PolarHBondContact O-ND2 3.29Å
838	A	50.7	Low	52.5	Low	64 Å²	64	109.3 Å²	109.3	53%	0.529	60%	0.601	S	S	.	*	H	α-helix	trans	-75.6	-36.8	175.1	0	0	0	0	0	114.2	Q834 R835 V836 L840 N841	Q834-A838 VanDerWaalsContact O-CB 3.28Å; Q834-A838 WeakPolarHBondContact O-CB 3.35Å; Q834-A838 PolarHBondContact O-N 2.85Å; R835-A838 PolarHBondContact O-N 3.49Å; V836-A838 VanDerWaalsContact C-N 3.26Å; V836-A838 PolarHBondContact O-N 2.9Å; A838-L840 VanDerWaalsContact C-N 3.34Å; A838-L840 PolarHBondContact O-N 3.02Å; A838-N841 PolarHBondContact O-N 2.98Å
839	T	49.8	Very low	51	Low	103 Å²	103	108.4 Å²	108.4	63%	0.632	61%	0.614	S	S	*	*	H	α-helix	trans	-77.9	-14.9	-175.7	39.8	0	0	0	0	114.4	R835 V836 N841	R835-T839 WeakPolarHBondContact O-CB 3.23Å; R835-T839 PolarHBondContact O-N 3.43Å; R835-T839 PolarHBondContact O-OG1 3.2Å; V836-T839 PolarHBondContact O-N 3.44Å; V836-T839 PolarHBondContact O-OG1 3.04Å; T839-N841 PolarHBondContact O-N 3.08Å
840	L	48.4	Very low	49.6	Very low	140 Å²	140	111 Å²	111	73%	0.733	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-11.5	172.2	-75.2	163.6	0	0	0	114.3	V836 A838	V836-L840 PolarHBondContact O-N 3.48Å; A838-L840 VanDerWaalsContact C-N 3.34Å; A838-L840 PolarHBondContact O-N 3.02Å
841	N	45.3	Very low	48.3	Very low	140 Å²	140	121.5 Å²	121.5	75%	0.749	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.2	13.4	-172.6	-71.3	-54.2	0	0	0	114.7	K837 A838 T839	K837-N841 PolarHBondContact O-ND2 3.29Å; A838-N841 PolarHBondContact O-N 2.98Å; T839-N841 PolarHBondContact O-N 3.08Å
842	A	38.6	Very low	46.8	Very low	73 Å²	73	119.8 Å²	119.8	60%	0.603	68%	0.676	S	S	*	*			trans	-105.1	130.4	-174.4	0	0	0	0	0	113.4
843	P	35.9	Very low	45.7	Very low	126 Å²	126	122.5 Å²	122.5	82%	0.818	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-81	143.4	-177.3	31.6	-35.1	0	0	0	114.2
844	S	37.3	Very low	44.6	Very low	119 Å²	119	123.6 Å²	123.6	83%	0.832	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-78.3	133.4	-171.7	-48.6	0	0	0	0	115.2
845	P	40.8	Very low	43.5	Very low	119 Å²	119	129.3 Å²	129.3	77%	0.773	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-83.1	159.2	169.1	33.2	-34	0	0	0	113.5
846	P	39.2	Very low	42.3	Very low	125 Å²	125	125.9 Å²	125.9	81%	0.812	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-91.6	162.8	-166	35.6	-37.5	0	0	0	116.3
847	P	47.9	Very low	41.3	Very low	116 Å²	116	130.8 Å²	130.8	75%	0.753	74%	0.738	S	S	*	*			trans	-114.9	138.7	-169.2	39	-28.5	0	0	0	116.6
848	L	45.4	Very low	40.5	Very low	169 Å²	169	132.3 Å²	132.3	89%	0.885	75%	0.747	S	S	*	*			trans	-157.7	164.6	167.3	-73.1	-177.7	0	0	0	110.3
849	P	38.2	Very low	39.7	Very low	119 Å²	119	133.6 Å²	133.6	77%	0.773	74%	0.742	S	S	*	*			cis	-133.2	168.2	-47.7	38.1	-22.6	0	0	0	113.4
850	S	38.7	Very low	39	Very low	126 Å²	126	137.9 Å²	137.9	88%	0.881	75%	0.747	S	S	*	*			trans	-81.3	162.4	-176.3	-60.4	0	0	0	0	115.9
851	R	37.5	Very low	38.4	Very low	244 Å²	244	139.1 Å²	139.1	92%	0.921	75%	0.749	S	S	*	*			trans	-136.7	140.9	156	-153.9	170.5	-172.3	174.3	2.6	112.3
852	S	35.7	Very low	38.2	Very low	81 Å²	81	137.8 Å²	137.8	57%	0.566	75%	0.748	S	S	*	*			trans	-76.5	173.7	-178.5	43.9	0	0	0	0	112.7
853	H	41.9	Very low	38.1	Very low	177 Å²	177	143.8 Å²	143.8	82%	0.819	76%	0.76	S	S	*	*			cis	-150.9	168.7	26.8	-54	-108.8	0	0	0	110.5
854	G	35	Very low	38.1	Very low	68 Å²	68	142.8 Å²	142.8	70%	0.701	75%	0.754	S	S	*	*			cis	154.4	118.6	-12.8	0	0	0	0	0	115.2
855	R	37.6	Very low	38	Very low	240 Å²	240	143.9 Å²	143.9	91%	0.906	75%	0.75	S	S	*	*			trans	67.3	156.4	159.3	-75.3	-176.6	161.3	-163.5	-5	119
856	T	34.5	Very low	38	Very low	106 Å²	106	146.4 Å²	146.4	65%	0.65	75%	0.751	S	S	*	*			cis	-145.1	147	-7.3	8.1	0	0	0	0	108.3
857	R	34.8	Very low	38.1	Very low	173 Å²	173	145.3 Å²	145.3	65%	0.653	74%	0.744	S	S	*	*				64.2	137.4	77	-139.1	-178.6	174.8	-146.9	4.3	111.7	E859	R857-E859 IonicContact CZ-OE2 2.76Å; R857-E859 IonicContact NE-OE2 3.53Å; R857-E859 PolarHBondContact NE-OE2 3.04Å; R857-E859 IonicContact NH2-OE1 3.47Å; R857-E859 IonicContact NH2-OE2 2.78Å; R857-E859 PolarHBondContact NH2-OE2 2.88Å
858	E	38.5	Very low	37.5	Very low	151 Å²	151	146.4 Å²	146.4	71%	0.706	75%	0.748	S	S	*	*			cis	-171.4	-177.5	49.2	-157.2	149.5	-112.1	0	0	111.6
859	E	33.8	Very low	37	Very low	91 Å²	91	141.6 Å²	141.6	43%	0.425	73%	0.733	S	S	.	*				-161.3	144.7	-73.9	-178.6	173.2	144.4	0	0	111.1	R857	R857-E859 IonicContact CZ-OE2 2.76Å; R857-E859 IonicContact NE-OE2 3.53Å; R857-E859 PolarHBondContact NE-OE2 3.04Å; R857-E859 IonicContact NH2-OE1 3.47Å; R857-E859 IonicContact NH2-OE2 2.78Å; R857-E859 PolarHBondContact NH2-OE2 2.88Å
860	R	34.3	Very low	36.8	Very low	193 Å²	193	141.7 Å²	141.7	73%	0.728	73%	0.731	S	S	*	*			trans	65.1	165.3	171.9	-72.2	162.4	-147	-124.2	1.9	116.7
861	Q	36.2	Very low	36.8	Very low	166 Å²	166	142.5 Å²	142.5	78%	0.776	72%	0.721	S	S	*	*			cis	-149.4	170.6	-7.9	-123.9	157.3	-48	0	0	110.4
862	P	40.4	Very low	36.9	Very low	111 Å²	111	138.7 Å²	138.7	72%	0.721	71%	0.714	S	S	*	*			trans	-118.9	179.8	-165.6	42.8	-33.3	0	0	0	117.9
863	K	36.6	Very low	36.8	Very low	199 Å²	199	138.7 Å²	138.7	87%	0.865	72%	0.718	S	S	*	*			trans	91.8	157.8	173.8	-67.4	-170.5	176.1	-174.9	0	116.6
864	P	36.8	Very low	36.7	Very low	106 Å²	106	136.3 Å²	136.3	69%	0.688	72%	0.716	S	S	*	*			cis	-143.8	-171.9	-39.2	42.7	-25.2	0	0	0	115.5
865	L	35.1	Very low	36.8	Very low	142 Å²	142	139.6 Å²	139.6	74%	0.743	71%	0.713	S	S	*	*			trans	73.2	108.7	153.4	-70.6	171.5	0	0	0	123.7
866	Q	40.6	Very low	36.9	Very low	171 Å²	171	136.1 Å²	136.1	80%	0.799	71%	0.705	S	S	*	*				63.1	-175.4	126.6	-66	-160	4	0	0	120
867	P	40.8	Very low	36.9	Very low	103 Å²	103	138 Å²	138	67%	0.669	71%	0.71	S	S	*	*				-135.9	-161.2	-100	39.5	-16.1	0	0	0	115.1
868	V	35.1	Very low	37	Very low	139 Å²	139	135.3 Å²	135.3	84%	0.842	71%	0.713	S	S	*	*			trans	72.6	144.2	164.6	173.9	0	0	0	0	115.7
869	A	34.5	Very low	36.9	Very low	68 Å²	68	132 Å²	132	56%	0.562	71%	0.707	S	S	*	*			cis	-169.9	-176.3	-30.2	0	0	0	0	0	108.3
870	T	34.4	Very low	37.1	Very low	120 Å²	120	138.1 Å²	138.1	74%	0.736	73%	0.726	S	S	*	*			trans	67.9	157.8	155.8	46.5	0	0	0	0	117.1
871	Q	38.5	Very low	37.3	Very low	144 Å²	144	139.5 Å²	139.5	67%	0.673	73%	0.731	S	S	*	*			cis	-159	166.5	5.5	-131.7	157.6	21	0	0	113.4
872	H	40.2	Very low	37.3	Very low	164 Å²	164	134.9 Å²	134.9	76%	0.759	72%	0.722	S	S	*	*			trans	77	160.2	157.5	-51.7	-44.2	0	0	0	121.1
873	A	33.9	Very low	37.3	Very low	80 Å²	80	135.2 Å²	135.2	66%	0.661	71%	0.714	S	S	*	*				176.5	162.4	-54.4	0	0	0	0	0	111.6
874	V	38.4	Very low	37.5	Very low	128 Å²	128	137.4 Å²	137.4	78%	0.776	72%	0.717	S	S	*	*			trans	69.7	141	159.1	167.2	0	0	0	0	116.7
875	Q	38.7	Very low	37.9	Very low	137 Å²	137	136.6 Å²	136.6	64%	0.64	72%	0.719	S	S	*	*			cis	-167.7	172.4	-16.9	-107.9	-178.6	14.1	0	0	110.4
876	K	38.7	Very low	38.3	Very low	166 Å²	166	135.9 Å²	135.9	72%	0.722	72%	0.722	S	S	*	*			trans	82.1	105.5	146.5	-81.6	157.1	-179.4	155.9	0	123
877	N	34.2	Very low	38.6	Very low	145 Å²	145	134 Å²	134	78%	0.775	72%	0.723	S	S	*	*				77.7	116.5	114.2	-80.7	12.8	0	0	0	125.4
878	V	36.8	Very low	39.8	Very low	117 Å²	117	134.7 Å²	134.7	71%	0.709	73%	0.728	S	S	*	*				97.5	129.5	117.9	168.9	0	0	0	0	121.6
879	S	37.5	Very low	41	Very low	82 Å²	82	133.8 Å²	133.8	57%	0.573	73%	0.725	S	S	*	*			trans	72.8	146.5	159.3	-74.3	0	0	0	0	119.2
880	R	37.6	Very low	42.5	Very low	220 Å²	220	136 Å²	136	83%	0.83	73%	0.733	S	S	*	*			cis	-170.8	154.1	-24.5	-139.7	179.1	-65.3	-166	2.3	110.3
881	R	38.3	Very low	44	Very low	221 Å²	221	135.9 Å²	135.9	83%	0.834	73%	0.734	S	S	*	*			trans	69.8	150.3	155.2	172.6	177.3	-90.9	-178.5	-4.9	118.6	E883	R881-E883 IonicContact NE-OE2 3.98Å
882	A	37.1	Very low	45.2	Very low	70 Å²	70	134.8 Å²	134.8	58%	0.579	74%	0.74	S	S	*	*			cis	-174.7	-157.5	-47.9	0	0	0	0	0	108.9
883	E	40.1	Very low	46.5	Very low	118 Å²	118	132.5 Å²	132.5	55%	0.551	74%	0.739	S	S	*	*			trans	63.1	128.8	174.8	-69.9	54.6	-82.8	0	0	115.3	R881	R881-E883 IonicContact NE-OE2 3.98Å
884	W	39.7	Very low	47.6	Very low	245 Å²	245	134 Å²	134	93%	0.928	74%	0.743	S	S	*	*			cis	-147.1	-169.4	-3	-98.7	-39.2	0	0	0	108.2
885	A	46.7	Very low	48.5	Very low	88 Å²	88	134.4 Å²	134.4	73%	0.727	75%	0.748	S	S	*	*			cis	-152.2	-167.1	24.2	0	0	0	0	0	110.9
886	P	43.4	Very low	48.5	Very low	127 Å²	127	133.4 Å²	133.4	83%	0.825	76%	0.756	S	S	*	*			trans	-104.3	162.2	-153.8	40.5	-37.9	0	0	0	118.4
887	T	46.5	Very low	48.6	Very low	133 Å²	133	130.8 Å²	130.8	82%	0.816	76%	0.759	S	S	*	*			trans	-116.6	158.7	169.5	46.2	0	0	0	0	112
888	P	64.6	Low	49	Very low	117 Å²	117	128.9 Å²	128.9	76%	0.76	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-77.6	159.3	175.8	32	-35.5	0	0	0	113.5
889	P	61.5	Low	49.1	Very low	120 Å²	120	131.1 Å²	131.1	78%	0.779	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-86.3	158.1	-173.3	34.8	-36.8	0	0	0	114.8
890	P	64.8	Low	49.2	Very low	114 Å²	114	139.3 Å²	139.3	74%	0.74	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-81.7	160.8	173.3	34.8	-35.9	0	0	0	113.3
891	P	66.9	Low	49.5	Very low	118 Å²	118	137.7 Å²	137.7	77%	0.766	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-71.9	156.9	175.8	30.7	-35.8	0	0	0	113.2
892	P	64.5	Low	50	Low	121 Å²	121	133 Å²	133	79%	0.786	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-78.6	150	-175.5	31.9	-36	0	0	0	113.8
893	P	66	Low	50.5	Low	115 Å²	115	135.3 Å²	135.3	75%	0.747	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-79.6	156.9	175	33.7	-35.7	0	0	0	112.9
894	P	58	Low	50.8	Low	113 Å²	113	135.1 Å²	135.1	73%	0.734	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-69.6	146	175.4	29.4	-35	0	0	0	112.3	S896	P894-S896 PolarHBondContact O-N 2.92Å
895	P	57.5	Low	51.4	Low	135 Å²	135	129.5 Å²	129.5	88%	0.877	80%	0.8	S	S	*	*			trans	-81.8	107.9	-174.4	31.6	-34.7	0	0	0	113.1
896	S	37.8	Very low	51.1	Low	116 Å²	116	131 Å²	131	81%	0.811	80%	0.801	S	S	*	*			trans	-103.6	108.8	166.5	-70.6	0	0	0	0	110.4	P894	P894-S896 PolarHBondContact O-N 2.92Å
897	S	41.9	Very low	50.8	Low	112 Å²	112	135.5 Å²	135.5	78%	0.783	80%	0.803	S	S	*	*			trans	-155.7	106.9	170.1	-84.6	0	0	0	0	114.6
898	S	41.8	Very low	50.5	Low	104 Å²	104	136.2 Å²	136.2	73%	0.727	81%	0.806	S	S	*	*				64.7	94.8	125	-52.6	0	0	0	0	120.1
899	L	38.7	Very low	49.2	Very low	164 Å²	164	139.1 Å²	139.1	86%	0.859	81%	0.81	S	S	*	*				53	106.7	127	-60.5	171.4	0	0	0	118.9
900	R	40.9	Very low	48.2	Very low	255 Å²	255	138.1 Å²	138.1	96%	0.962	81%	0.812	S	S	*	*			trans	-153.4	137	135	-107.6	159.1	-153.5	-101.8	0.9	110.8
901	M	43.1	Very low	46.9	Very low	185 Å²	185	137.8 Å²	137.8	91%	0.911	81%	0.808	S	S	*	*			trans	-95	142.4	178.7	-64.2	154.8	59.3	0	0	110.3
902	S	49.4	Very low	45.5	Very low	122 Å²	122	137 Å²	137	85%	0.853	81%	0.805	S	S	*	*			trans	-149.3	153.4	158.6	-83.3	0	0	0	0	110
903	P	47.3	Very low	44.4	Very low	119 Å²	119	141.4 Å²	141.4	77%	0.773	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-95.9	167.4	-162.8	-2.2	24.3	0	0	0	114.7
904	P	45.5	Very low	43.2	Very low	114 Å²	114	142.1 Å²	142.1	74%	0.74	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-86.8	151.4	-179.8	35.3	-35.3	0	0	0	113.7
905	P	53.7	Low	42.3	Very low	128 Å²	128	140.6 Å²	140.6	83%	0.831	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-90.1	138.3	165.4	34.1	-30.6	0	0	0	112
906	T	40.3	Very low	41.5	Very low	120 Å²	120	140.9 Å²	140.9	74%	0.736	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-100.4	148.8	175.9	46.4	0	0	0	0	112.8
907	Y	35.9	Very low	41.4	Very low	220 Å²	220	141.4 Å²	141.4	86%	0.863	80%	0.804	S	S	*	*			trans	20.2	122.2	153.3	-71.1	-90.4	0	0	0	119.8
908	V	41.1	Very low	41.5	Very low	148 Å²	148	142.9 Å²	142.9	90%	0.897	81%	0.808	S	S	*	*			trans	-135.8	138.6	140	-171	0	0	0	0	108.7
909	E	37	Very low	41.3	Very low	179 Å²	179	148 Å²	148	84%	0.836	81%	0.812	S	S	*	*			trans	-111	137.6	-179.8	178.8	177.7	-148.4	0	0	109.4
910	A	39.4	Very low	41.3	Very low	99 Å²	99	143.6 Å²	143.6	82%	0.818	80%	0.799	S	S	*	*			trans	-155.1	147	177.5	0	0	0	0	0	111.8
911	T	38.7	Very low	41.3	Very low	107 Å²	107	138.7 Å²	138.7	66%	0.656	79%	0.787	S	S	*	*			trans	-126.7	153.1	-162.1	45.6	0	0	0	0	115.3	Y913	T911-Y913 WeakPolarHBondContact O-CE2 3.39Å
912	S	38.2	Very low	41.1	Very low	100 Å²	100	137.2 Å²	137.2	70%	0.699	78%	0.783	S	S	*	*			trans	48.9	105.5	142.6	176.6	0	0	0	0	121.5
913	Y	40.7	Very low	40.7	Very low	215 Å²	215	136 Å²	136	84%	0.843	78%	0.781	S	S	*	*			trans	-141.8	104.3	148	-46.7	-81.8	0	0	0	109	T911	T911-Y913 WeakPolarHBondContact O-CE2 3.39Å
914	V	41.6	Very low	40.3	Very low	130 Å²	130	136.6 Å²	136.6	79%	0.788	78%	0.777	S	S	*	*				90.6	102.4	89.9	169.1	0	0	0	0	115.4
915	A	37.3	Very low	40	Very low	81 Å²	81	137.3 Å²	137.3	67%	0.669	78%	0.775	S	S	*	*			trans	39.8	137.7	142.6	0	0	0	0	0	124.3
916	T	40.9	Very low	39.5	Very low	141 Å²	141	138.9 Å²	138.9	87%	0.865	77%	0.771	S	S	*	*				-149.7	145.4	125.1	-68	0	0	0	0	108.6
917	T	37.3	Very low	39.5	Very low	127 Å²	127	139.5 Å²	139.5	78%	0.779	78%	0.78	S	S	*	*			trans	-138	131.2	-169.7	49.3	0	0	0	0	114.1
918	V	42.4	Very low	39.8	Very low	143 Å²	143	133.6 Å²	133.6	87%	0.867	78%	0.777	S	S	*	*			trans	-153.1	152.7	164.4	-168.4	0	0	0	0	108
919	R	38.3	Very low	40	Very low	211 Å²	211	133.9 Å²	133.9	80%	0.796	78%	0.779	S	S	*	*				174.7	137.9	-63.4	175.2	-169	164.8	101.6	10.7	107.1
920	A	38.4	Very low	40.2	Very low	72 Å²	72	130.1 Å²	130.1	60%	0.595	77%	0.772	S	S	*	*			trans	66.4	159.5	163.9	0	0	0	0	0	116.9
921	E	40.6	Very low	39.9	Very low	151 Å²	151	131.3 Å²	131.3	71%	0.706	77%	0.773	S	S	*	*			cis	-157.2	131.7	-15.4	-107.4	147.2	-168.6	0	0	106.2
922	N	39.5	Very low	40.3	Very low	154 Å²	154	130.8 Å²	130.8	82%	0.824	78%	0.78	S	S	*	*				74.6	146.9	88.8	-87.3	-15.2	0	0	0	118.2
923	A	40.7	Very low	40.7	Very low	98 Å²	98	132 Å²	132	81%	0.81	79%	0.785	S	S	*	*			trans	69.7	136.4	178.2	0	0	0	0	0	117.2
924	N	38.3	Very low	41	Very low	130 Å²	130	127.2 Å²	127.2	70%	0.695	78%	0.781	S	S	*	*			cis	100.9	96.2	13.8	-173	93.4	0	0	0	116.4
925	D	40.1	Very low	42.1	Very low	130 Å²	130	127.1 Å²	127.1	70%	0.695	78%	0.783	S	S	*	*			trans	-178.1	142.1	133.8	-92.3	-21.5	0	0	0	107.6
926	Q	42.6	Very low	43.2	Very low	160 Å²	160	127.7 Å²	127.7	75%	0.748	79%	0.787	S	S	*	*				73.1	94.7	51.1	-69.2	-161.9	71.2	0	0	116
927	S	41.5	Very low	43.6	Very low	133 Å²	133	126.7 Å²	126.7	93%	0.93	78%	0.783	S	S	*	*				174.4	160.3	129.8	-82.4	0	0	0	0	112.3
928	A	40.8	Very low	44.9	Very low	97 Å²	97	126.3 Å²	126.3	80%	0.802	78%	0.783	S	S	*	*			trans	-125.2	147.4	-177.4	0	0	0	0	0	113.1
929	V	45.7	Very low	45.6	Very low	154 Å²	154	125.1 Å²	125.1	93%	0.933	78%	0.778	S	S	*	*			trans	-142.6	162.2	169	-172	0	0	0	0	109.1
930	S	41.6	Very low	46.1	Very low	99 Å²	99	120.8 Å²	120.8	69%	0.692	78%	0.777	S	S	*	*			trans	-126.8	158	-162.4	-172.3	0	0	0	0	114.8
931	C	33.8	Very low	47.2	Very low	124 Å²	124	123.2 Å²	123.2	84%	0.838	79%	0.787	S	S	*	*			trans	48.1	118.3	157.8	-74.5	0	0	0	0	122.5
932	A	46	Very low	47.5	Very low	97 Å²	97	121.9 Å²	121.9	80%	0.802	79%	0.791	S	S	*	*			trans	-156.6	148.1	142.2	0	0	0	0	0	112
933	P	46.6	Very low	47.2	Very low	124 Å²	124	123.6 Å²	123.6	81%	0.805	80%	0.797	S	S	*	*			trans	-96.2	177.6	-177.3	39.7	-36.8	0	0	0	114.4
934	P	47.1	Very low	47.3	Very low	116 Å²	116	125.4 Å²	125.4	75%	0.753	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-97.9	169.3	-152.8	38.6	-37.9	0	0	0	117.1
935	P	65.4	Low	47.1	Very low	128 Å²	128	126.9 Å²	126.9	83%	0.831	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-80.1	161.2	169.7	34.3	-36	0	0	0	113.9
936	A	59.4	Low	46.9	Very low	93 Å²	93	129.4 Å²	129.4	77%	0.769	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-95.3	160	-176.3	0	0	0	0	0	113.8
937	P	49.3	Very low	46.5	Very low	119 Å²	119	129.8 Å²	129.8	77%	0.773	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-76.3	155	179.4	31.5	-36.5	0	0	0	113.9
938	P	65.3	Low	46.1	Very low	120 Å²	120	127.1 Å²	127.1	78%	0.779	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-78.1	154.6	176.7	32.5	-35.5	0	0	0	113.4
939	P	56.5	Low	45.8	Very low	117 Å²	117	131.3 Å²	131.3	76%	0.76	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-87.5	157.4	-176.1	35.1	-36.6	0	0	0	114.5
940	P	48.7	Very low	45.1	Very low	121 Å²	121	132.1 Å²	132.1	79%	0.786	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-83.3	144.1	177.2	33.2	-34.8	0	0	0	113.8
941	P	62	Low	44.8	Very low	123 Å²	123	134.2 Å²	134.2	80%	0.799	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-73	160.9	168.2	-18.1	33	0	0	0	114
942	P	47.4	Very low	44.7	Very low	123 Å²	123	134.6 Å²	134.6	80%	0.799	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-91.4	161.5	-169.1	36.2	-37	0	0	0	115.7
943	M	33.4	Very low	44.3	Very low	189 Å²	189	135.4 Å²	135.4	93%	0.931	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-75.9	150.3	172	-55.2	169.5	78.9	0	0	112.3
944	V	41.9	Very low	43.6	Very low	137 Å²	137	135.4 Å²	135.4	83%	0.83	79%	0.794	S	S	*	*			trans	-137.4	141.3	163.6	-167.8	0	0	0	0	108.9
945	M	33.5	Very low	43.1	Very low	160 Å²	160	135.6 Å²	135.6	79%	0.788	79%	0.793	S	S	*	*			trans	-98.4	150.4	-176.7	-45.5	176.1	-163.7	0	0	112.2
946	F	36.7	Very low	41.7	Very low	183 Å²	183	138.1 Å²	138.1	80%	0.803	79%	0.794	S	S	*	*			trans	-164.6	127.8	134.8	-77.9	-63.4	0	0	0	105.4
947	Q	34.2	Very low	40.7	Very low	168 Å²	168	138 Å²	138	79%	0.785	79%	0.792	S	S	*	*				59.8	137.4	61.8	-65.1	-175.6	-21.8	0	0	113.8
948	A	32.6	Very low	40.5	Very low	77 Å²	77	137.4 Å²	137.4	64%	0.636	79%	0.791	S	S	*	*			cis	-169.3	171.4	-18.8	0	0	0	0	0	108.3
949	E	34.1	Very low	39.4	Very low	185 Å²	185	139.2 Å²	139.2	86%	0.864	79%	0.794	S	S	*	*			trans	64.3	134.9	162.9	-67.7	158.5	-171.4	0	0	116.6
950	E	31.9	Very low	38.6	Very low	172 Å²	172	138 Å²	138	80%	0.804	79%	0.794	S	S	*	*			cis	113.2	112.9	22.4	-179.5	175.7	-104.1	0	0	111.2
951	T	35.8	Very low	38.5	Very low	143 Å²	143	143.7 Å²	143.7	88%	0.877	80%	0.8	S	S	*	*			trans	-174.2	148.6	138.3	14.4	0	0	0	0	111.9
952	T	31	Very low	38.1	Very low	131 Å²	131	141.7 Å²	141.7	80%	0.804	79%	0.794	S	S	*	*			trans	-112.2	169	175.1	60.6	0	0	0	0	109.7
953	P	37.1	Very low	38.4	Very low	115 Å²	115	142.3 Å²	142.3	75%	0.747	79%	0.79	S	S	*	*				-154.6	147.8	82.5	38.2	-17.1	0	0	0	119.1
954	T	32.2	Very low	39.4	Very low	124 Å²	124	139.9 Å²	139.9	76%	0.761	78%	0.78	S	S	*	*			trans	3	147.8	147.9	59.3	0	0	0	0	123.4
955	V	37.2	Very low	40.3	Very low	120 Å²	120	139.2 Å²	139.2	73%	0.727	77%	0.77	S	S	*	*				-174.8	123.4	105.2	147.3	0	0	0	0	113.8
956	Q	35.5	Very low	41.4	Very low	181 Å²	181	133.5 Å²	133.5	85%	0.846	75%	0.748	S	S	*	*			trans	22.4	145	141.2	-55.3	170.3	-26.5	0	0	121.4
957	A	39.3	Very low	42.6	Very low	89 Å²	89	130.2 Å²	130.2	74%	0.736	74%	0.735	S	S	*	*			cis	-147.8	-140.3	-2	0	0	0	0	0	108.8
958	S	43.7	Very low	43.7	Very low	107 Å²	107	128.6 Å²	128.6	75%	0.748	73%	0.731	S	S	*	*			cis	-178.6	152	-0.9	34	0	0	0	0	107.6
959	D	42.2	Very low	45	Very low	159 Å²	159	134.9 Å²	134.9	85%	0.85	74%	0.738	S	S	*	*			cis	-170.7	-164.7	-20.1	-144.7	-73.9	0	0	0	110.4
960	A	40.9	Very low	46	Very low	92 Å²	92	134.4 Å²	134.4	76%	0.76	73%	0.728	S	S	*	*			trans	74.4	51.5	151.5	0	0	0	0	0	121.9
961	R	45.8	Very low	46.6	Very low	240 Å²	240	129.2 Å²	129.2	91%	0.906	72%	0.72	S	S	*	*	S	Bend	trans	-148.1	-12.9	145.4	-159.7	170	172.2	95.7	-1.3	115.9	D963	R961-D963 PolarHBondContact O-N 3.29Å
962	A	54.6	Low	47.4	Very low	81 Å²	81	131.8 Å²	131.8	67%	0.669	72%	0.719	S	S	*	*	S	Bend	trans	-74.2	-21.8	-171.5	0	0	0	0	0	115.6	L964 M965 A966	A962-L964 PolarHBondContact O-N 3.44Å; A962-M965 PolarHBondContact O-N 3.37Å; A962-A966 PolarHBondContact O-N 2.99Å
963	D	52.9	Low	47.7	Very low	136 Å²	136	131.7 Å²	131.7	73%	0.727	72%	0.719	S	S	*	*	H	α-helix	trans	-63.1	-37.5	-161.8	-148.9	25	0	0	0	114	R961 M965 A966 E967	R961-D963 PolarHBondContact O-N 3.29Å; D963-M965 VanDerWaalsContact C-N 3.26Å; D963-M965 PolarHBondContact O-N 3.32Å; D963-A966 WeakPolarHBondContact O-CB 3.35Å; D963-A966 PolarHBondContact O-N 3.21Å; D963-A966 VanDerWaalsContact O-N 3.1Å; D963-E967 PolarHBondContact O-N 3.41Å
964	L	55.2	Low	47.7	Very low	137 Å²	137	133.9 Å²	133.9	72%	0.717	72%	0.724	S	S	*	*	H	α-helix	trans	-66.6	-25.9	178.1	-173.2	61.2	0	0	0	113.3	A962	A962-L964 PolarHBondContact O-N 3.44Å
965	M	59.5	Low	48.1	Very low	123 Å²	123	137.6 Å²	137.6	61%	0.606	73%	0.729	S	S	*	*	H	α-helix	trans	-86.6	-11.1	175.8	-76.2	-69.1	-169.9	0	0	113.1	A962 D963 R969	A962-M965 PolarHBondContact O-N 3.37Å; D963-M965 VanDerWaalsContact C-N 3.26Å; D963-M965 PolarHBondContact O-N 3.32Å; M965-R969 WeakPolarHBondContact O-CD 3.45Å; M965-R969 WeakPolarHBondContact O-CG 3.29Å; M965-R969 PolarHBondContact O-NE 3.44Å
966	A	57.1	Low	48.4	Very low	41 Å²	41	143.5 Å²	143.5	34%	0.339	74%	0.739	S	S	.	*	H	α-helix	trans	-79.3	-40.3	171.1	0	0	0	0	0	111.2	A962 D963 I968 R969	A962-A966 PolarHBondContact O-N 2.99Å; D963-A966 WeakPolarHBondContact O-CB 3.35Å; D963-A966 PolarHBondContact O-N 3.21Å; D963-A966 VanDerWaalsContact O-N 3.1Å; A966-I968 PolarHBondContact O-N 3.02Å; A966-R969 PolarHBondContact O-N 3.45Å; A966-R969 VanDerWaalsContact O-N 3.15Å
967	E	61.1	Low	48.8	Very low	114 Å²	114	141 Å²	141	53%	0.533	74%	0.735	S	S	.	*	H	α-helix	trans	-66.3	-39.2	-176	-158.2	66.2	179.2	0	0	112.7	D963 R969 R970	D963-E967 PolarHBondContact O-N 3.41Å; E967-R969 PolarHBondContact O-N 3.03Å; E967-R970 PolarHBondContact O-N 2.69Å; E967-R970 WeakPolarHBondContact OE2-CD 3.47Å; E967-R970 IonicContact OE2-CZ 3.45Å; E967-R970 IonicContact OE2-NE 2.71Å; E967-R970 IonicContact OE2-NH1 3.67Å; E967-R970 PolarHBondContact OE2-NH1 2.75Å
968	I	57.4	Low	48.9	Very low	134 Å²	134	143.7 Å²	143.7	69%	0.687	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-21.7	176.9	-63.7	168.8	0	0	0	112	A966	A966-I968 PolarHBondContact O-N 3.02Å
969	R	60	Low	48.7	Very low	208 Å²	208	145.4 Å²	145.4	79%	0.785	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-8.5	176.5	-65.7	177.1	-169.2	-144.3	0	113.5	M965 A966 E967 G971	M965-R969 WeakPolarHBondContact O-CD 3.45Å; M965-R969 WeakPolarHBondContact O-CG 3.29Å; M965-R969 PolarHBondContact O-NE 3.44Å; A966-R969 PolarHBondContact O-N 3.45Å; A966-R969 VanDerWaalsContact O-N 3.15Å; E967-R969 PolarHBondContact O-N 3.03Å; R969-G971 PolarHBondContact O-N 2.7Å
970	R	56.8	Low	48.4	Very low	176 Å²	176	141.3 Å²	141.3	66%	0.664	74%	0.738	S	S	*	*	S	Bend	trans	-83	61.3	178.4	-70.3	174.2	167	163.2	-4	111.9	E967 K972	E967-R970 PolarHBondContact O-N 2.69Å; E967-R970 WeakPolarHBondContact OE2-CD 3.47Å; E967-R970 IonicContact OE2-CZ 3.45Å; E967-R970 IonicContact OE2-NE 2.71Å; E967-R970 IonicContact OE2-NH1 3.67Å; E967-R970 PolarHBondContact OE2-NH1 2.75Å; R970-K972 PolarHBondContact O-N 3.06Å
971	G	43	Very low	48.3	Very low	62 Å²	62	142 Å²	142	64%	0.639	74%	0.737	S	S	*	*			trans	-49.6	120.7	-176.3	0	0	0	0	0	113.6	R969 T973	R969-G971 PolarHBondContact O-N 2.7Å; G971-T973 PolarHBondContact O-N 3.1Å; G971-T973 VanDerWaalsContact O-N 3.13Å
972	K	52.7	Low	47.9	Very low	197 Å²	197	137.2 Å²	137.2	86%	0.857	74%	0.735	S	S	*	*			trans	-81.7	93.1	-168.1	-169.2	174.2	-176.5	176.4	0	112.3	R970	R970-K972 PolarHBondContact O-N 3.06Å
973	T	38.4	Very low	47.4	Very low	130 Å²	130	138.9 Å²	138.9	80%	0.798	74%	0.739	S	S	*	*			trans	-66.4	142.1	176.3	46.8	0	0	0	0	113	G971	G971-T973 PolarHBondContact O-N 3.1Å; G971-T973 VanDerWaalsContact O-N 3.13Å
974	L	37.1	Very low	46.7	Very low	161 Å²	161	138 Å²	138	84%	0.843	74%	0.741	S	S	*	*			trans	-119.5	158.7	163.1	-72	176.6	0	0	0	110
975	K	39.2	Very low	45.6	Very low	202 Å²	202	136 Å²	136	88%	0.878	74%	0.744	S	S	*	*			trans	-80	142.3	-152.6	-61.6	178.2	178.7	179.7	0	114.5
976	R	43.9	Very low	44.3	Very low	244 Å²	244	134.5 Å²	134.5	92%	0.921	75%	0.751	S	S	*	*			trans	-92.7	166.9	149.1	-81.4	-176	171.2	168.7	-2.3	110
977	V	44.5	Very low	43.4	Very low	129 Å²	129	139 Å²	139	78%	0.782	77%	0.774	S	S	*	*			trans	-128.8	151.6	172.7	177.5	0	0	0	0	108.8
978	D	41	Very low	42	Very low	144 Å²	144	143.3 Å²	143.3	77%	0.77	79%	0.792	S	S	*	*			trans	-64.5	149.8	-169.7	-54.2	-81.6	0	0	0	113.9
979	V	38.4	Very low	41	Very low	144 Å²	144	147 Å²	147	87%	0.873	80%	0.802	S	S	*	*			cis	96.4	116.9	29.4	174.5	0	0	0	0	114.4
980	G	37.4	Very low	39.7	Very low	73 Å²	73	144.5 Å²	144.5	75%	0.753	80%	0.8	S	S	*	*			trans	129.1	141.4	168.2	0	0	0	0	0	114.4
981	S	38.2	Very low	39	Very low	105 Å²	105	144.4 Å²	144.4	73%	0.734	81%	0.811	S	S	*	*			cis	-166.2	116.3	-14.3	49.9	0	0	0	0	113.4
982	T	37.5	Very low	38.9	Very low	140 Å²	140	148.3 Å²	148.3	86%	0.859	81%	0.812	S	S	*	*			trans	57.9	156.6	151.9	39.3	0	0	0	0	122.6
983	P	43.2	Very low	38.1	Very low	117 Å²	117	142 Å²	142	76%	0.76	79%	0.793	S	S	*	*			trans	-112.3	-165.9	-164.6	49.9	-38.6	0	0	0	111.8
984	P	39.2	Very low	38.9	Very low	117 Å²	117	143 Å²	143	76%	0.76	79%	0.793	S	S	*	*				-148.5	174	50.2	43.2	-22	0	0	0	119.4
985	A	31.3	Very low	39.8	Very low	96 Å²	96	144.3 Å²	144.3	79%	0.793	79%	0.787	S	S	*	*			trans	82.8	137.9	144.5	0	0	0	0	0	123.5
986	A	33.8	Very low	40.6	Very low	91 Å²	91	137.1 Å²	137.1	75%	0.752	77%	0.765	S	S	*	*			trans	92.7	127.1	149.5	0	0	0	0	0	122.3
987	T	36.7	Very low	41.4	Very low	134 Å²	134	131.9 Å²	131.9	82%	0.822	75%	0.751	S	S	*	*			trans	63.2	89.9	151.1	41.2	0	0	0	0	121.5
988	K	32	Very low	42.2	Very low	206 Å²	206	130.8 Å²	130.8	90%	0.896	74%	0.74	S	S	*	*			trans	19.7	119.6	132.6	-66.1	-175.3	174.4	-172.9	0	118.8
989	K	37.5	Very low	43.2	Very low	210 Å²	210	129.4 Å²	129.4	91%	0.913	73%	0.731	S	S	*	*				-151.8	152.1	122.6	-113.7	174	-177.3	-178.3	0	110.4
990	E	31.7	Very low	44.5	Very low	156 Å²	156	126 Å²	126	73%	0.729	71%	0.711	S	S	*	*			trans	-82.8	147.5	-174.2	-64.7	148.9	84.4	0	0	112.2	Q992	E990-Q992 PolarHBondContact OE1-NE2 3.4Å
991	I	42.1	Very low	45.7	Very low	174 Å²	174	128.4 Å²	128.4	89%	0.892	70%	0.702	S	S	*	*			trans	-128.3	124.7	152.6	-63.1	-178.7	0	0	0	105.9
992	Q	40.4	Very low	46.6	Very low	145 Å²	145	129.3 Å²	129.3	68%	0.678	70%	0.698	S	S	*	*			trans	-107.7	132.6	-176.1	-64.1	-177.3	5.6	0	0	110.6	E990	E990-Q992 PolarHBondContact OE1-NE2 3.4Å
993	S	37.5	Very low	47.5	Very low	65 Å²	65	126.7 Å²	126.7	46%	0.455	69%	0.69	S	S	.	*				66.3	89.8	127.1	-164.8	0	0	0	0	118.7	R995 A996	S993-R995 PolarHBondContact O-N 3.15Å; S993-A996 WeakPolarHBondContact O-CB 3.45Å; S993-A996 PolarHBondContact O-N 2.92Å
994	D	53.4	Low	48.2	Very low	149 Å²	149	128 Å²	128	80%	0.797	69%	0.686	S	S	*	*	H	α-helix	trans	-57.3	-18.4	165.2	-42.8	-34.5	0	0	0	112.8	A996 L998	D994-A996 VanDerWaalsContact C-N 3.31Å; D994-A996 PolarHBondContact O-N 3.29Å; D994-L998 PolarHBondContact O-N 3.39Å
995	R	55.9	Low	48.1	Very low	190 Å²	190	125.3 Å²	125.3	72%	0.717	68%	0.68	S	S	*	*	H	α-helix	trans	-68.7	-26.5	172.2	-169.9	178.5	-179.2	91	-0.6	112.6	S993 M999	S993-R995 PolarHBondContact O-N 3.15Å; R995-M999 WeakPolarHBondContact O-CB 3.39Å; R995-M999 WeakPolarHBondContact O-CG 3.5Å; R995-M999 PolarHBondContact O-N 2.79Å
996	A	56.7	Low	48.9	Very low	50 Å²	50	127 Å²	127	41%	0.413	68%	0.68	S	S	.	*	H	α-helix	trans	-73.9	-36.8	178.5	0	0	0	0	0	112.1	S993 D994 M999 T1000	S993-A996 WeakPolarHBondContact O-CB 3.45Å; S993-A996 PolarHBondContact O-N 2.92Å; D994-A996 VanDerWaalsContact C-N 3.31Å; D994-A996 PolarHBondContact O-N 3.29Å; A996-M999 PolarHBondContact O-N 3.42Å; A996-T1000 WeakPolarHBondContact O-CB 3.46Å; A996-T1000 PolarHBondContact O-N 3.3Å; A996-T1000 PolarHBondContact O-OG1 2.89Å
997	E	60.7	Low	49.1	Very low	135 Å²	135	129.9 Å²	129.9	63%	0.631	68%	0.683	S	S	*	*	H	α-helix	trans	-68.5	-42.5	177.8	-169.8	162.6	-174	0	0	111.1	M999 T1000 Q1001	E997-M999 PolarHBondContact O-N 2.92Å; E997-T1000 WeakPolarHBondContact O-CB 3.37Å; E997-T1000 PolarHBondContact O-N 3.37Å; E997-T1000 VanDerWaalsContact O-N 3.14Å; E997-Q1001 PolarHBondContact O-N 3Å
998	L	60.8	Low	49.2	Very low	106 Å²	106	130.3 Å²	130.3	56%	0.555	68%	0.679	S	S	*	*	H	α-helix	trans	-60.1	-45.4	173.8	-167.5	71.5	0	0	0	112.7	D994 T1000 Q1001 I1002	D994-L998 PolarHBondContact O-N 3.39Å; L998-T1000 VanDerWaalsContact C-N 3.26Å; L998-T1000 PolarHBondContact O-N 3.31Å; L998-Q1001 PolarHBondContact O-N 3.41Å; L998-I1002 WeakPolarHBondContact O-CG1 3.3Å; L998-I1002 PolarHBondContact O-N 3.1Å; L998-I1002 VanDerWaalsContact O-N 3.15Å
999	M	62.5	Low	49.7	Very low	114 Å²	114	129.6 Å²	129.6	56%	0.562	68%	0.676	S	S	*	*	H	α-helix	trans	-67.2	-28.3	176.4	-67.7	-69.8	-71.7	0	0	112.3	R995 A996 E997 A1003	R995-M999 WeakPolarHBondContact O-CB 3.39Å; R995-M999 WeakPolarHBondContact O-CG 3.5Å; R995-M999 PolarHBondContact O-N 2.79Å; A996-M999 PolarHBondContact O-N 3.42Å; E997-M999 PolarHBondContact O-N 2.92Å; M999-A1003 WeakPolarHBondContact O-CB 3.19Å; M999-A1003 PolarHBondContact O-N 3.34Å; M999-A1003 VanDerWaalsContact O-N 3.07Å
1000	T	65.9	Low	49.9	Very low	74 Å²	74	125.5 Å²	125.5	45%	0.454	67%	0.671	S	S	.	*	H	α-helix	trans	-72.3	-38.6	175.7	-57.4	0	0	0	0	111.5	A996 E997 L998 A1003 Q1004	A996-T1000 WeakPolarHBondContact O-CB 3.46Å; A996-T1000 PolarHBondContact O-N 3.3Å; A996-T1000 PolarHBondContact O-OG1 2.89Å; E997-T1000 WeakPolarHBondContact O-CB 3.37Å; E997-T1000 PolarHBondContact O-N 3.37Å; E997-T1000 VanDerWaalsContact O-N 3.14Å; L998-T1000 VanDerWaalsContact C-N 3.26Å; L998-T1000 PolarHBondContact O-N 3.31Å; T1000-A1003 PolarHBondContact O-N 3.32Å; T1000-Q1004 WeakPolarHBondContact O-CG 3.36Å; T1000-Q1004 PolarHBondContact O-N 3.1Å
1001	Q	62.2	Low	50.2	Low	122 Å²	122	123.6 Å²	123.6	57%	0.57	67%	0.67	S	S	*	*	H	α-helix	trans	-65.4	-39	174	-69.8	179.1	10.2	0	0	111.9	E997 L998 A1003 Q1004	E997-Q1001 PolarHBondContact O-N 3Å; L998-Q1001 PolarHBondContact O-N 3.41Å; Q1001-A1003 VanDerWaalsContact C-N 3.32Å; Q1001-A1003 PolarHBondContact O-N 3.44Å; Q1001-Q1004 PolarHBondContact O-N 3.39Å
1002	I	56.8	Low	49.8	Very low	125 Å²	125	122.5 Å²	122.5	64%	0.641	67%	0.666	S	S	*	*	H	α-helix	trans	-65.3	-36.2	174.2	-65.4	166.3	0	0	0	111.2	L998 Q1004	L998-I1002 WeakPolarHBondContact O-CG1 3.3Å; L998-I1002 PolarHBondContact O-N 3.1Å; L998-I1002 VanDerWaalsContact O-N 3.15Å; I1002-Q1004 VanDerWaalsContact C-N 3.29Å; I1002-Q1004 PolarHBondContact O-N 2.89Å
1003	A	57.2	Low	49.3	Very low	85 Å²	85	126.1 Å²	126.1	70%	0.702	68%	0.679	S	S	*	*	H	α-helix	trans	-73.8	-10.2	178.4	0	0	0	0	0	114.9	M999 T1000 Q1001	M999-A1003 WeakPolarHBondContact O-CB 3.19Å; M999-A1003 PolarHBondContact O-N 3.34Å; M999-A1003 VanDerWaalsContact O-N 3.07Å; T1000-A1003 PolarHBondContact O-N 3.32Å; Q1001-A1003 VanDerWaalsContact C-N 3.32Å; Q1001-A1003 PolarHBondContact O-N 3.44Å
1004	Q	58.8	Low	48.9	Very low	143 Å²	143	127.1 Å²	127.1	67%	0.668	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	3.4	-174	-82	176.2	11.8	0	0	115.7	T1000 Q1001 I1002	T1000-Q1004 WeakPolarHBondContact O-CG 3.36Å; T1000-Q1004 PolarHBondContact O-N 3.1Å; Q1001-Q1004 PolarHBondContact O-N 3.39Å; I1002-Q1004 VanDerWaalsContact C-N 3.29Å; I1002-Q1004 PolarHBondContact O-N 2.89Å
1005	G	36.8	Very low	48.1	Very low	62 Å²	62	129.4 Å²	129.4	64%	0.639	70%	0.698	S	S	*	*			trans	50.7	72.1	156.5	0	0	0	0	0	116.7	N1007	G1005-N1007 PolarHBondContact O-N 3.23Å; G1005-N1007 VanDerWaalsContact O-N 3.1Å
1006	V	48.4	Very low	47	Very low	130 Å²	130	126.2 Å²	126.2	79%	0.788	70%	0.701	S	S	*	*			trans	-65.3	111.2	-179.5	-176.6	0	0	0	0	111.4	L1008	V1006-L1008 HydrophobicContact CG1-CD2 4.11Å; V1006-L1008 HydrophobicContact CG1-CG 4.24Å; V1006-L1008 PolarHBondContact O-N 3.1Å
1007	N	37.8	Very low	45.6	Very low	153 Å²	153	133.4 Å²	133.4	82%	0.818	72%	0.723	S	S	*	*			trans	-85.6	105.4	-175.3	-169.4	-11.3	0	0	0	111.1	G1005	G1005-N1007 PolarHBondContact O-N 3.23Å; G1005-N1007 VanDerWaalsContact O-N 3.1Å
1008	L	38.8	Very low	44.1	Very low	143 Å²	143	131.9 Å²	131.9	75%	0.749	73%	0.733	S	S	*	*			trans	-104.2	145.2	-179.7	-63.6	-179.8	0	0	0	112	V1006	V1006-L1008 HydrophobicContact CG1-CD2 4.11Å; V1006-L1008 HydrophobicContact CG1-CG 4.24Å; V1006-L1008 PolarHBondContact O-N 3.1Å
1009	K	41.1	Very low	42.6	Very low	190 Å²	190	135.1 Å²	135.1	83%	0.826	75%	0.746	S	S	*	*			trans	-75.5	139.1	-160.2	-63.1	175.1	-179.4	174.3	0	113.7
1010	P	41.9	Very low	41.1	Very low	125 Å²	125	135.8 Å²	135.8	81%	0.812	76%	0.758	S	S	*	*			trans	-77.4	126.4	164.3	32	-31.9	0	0	0	110.5
1011	V	38.5	Very low	39.5	Very low	116 Å²	116	138.4 Å²	138.4	70%	0.703	77%	0.769	S	S	*	*			trans	-140.9	106.6	170	-177.1	0	0	0	0	110.9
1012	D	32.7	Very low	38.1	Very low	151 Å²	151	137.9 Å²	137.9	81%	0.807	78%	0.776	S	S	*	*			trans	45	115.6	148.1	-54.8	-31.2	0	0	0	122.5	A1014	D1012-A1014 PolarHBondContact O-N 3.41Å
1013	K	31.4	Very low	37	Very low	220 Å²	220	134.8 Å²	134.8	96%	0.957	77%	0.769	S	S	*	*			trans	-72.6	108.1	158.4	-64.8	176.4	176.5	-178.1	0	110.1
1014	A	29.3	Very low	36.3	Very low	86 Å²	86	133.4 Å²	133.4	71%	0.711	76%	0.757	S	S	*	*			trans	-138	119.6	168.9	0	0	0	0	0	110.8	D1012 P1016	D1012-A1014 PolarHBondContact O-N 3.41Å; A1014-P1016 WeakPolarHBondContact O-CD 3.37Å
1015	Q	36.4	Very low	35.8	Very low	198 Å²	198	134.1 Å²	134.1	93%	0.925	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-77.7	128.4	179	-70.6	177.8	-38.5	0	0	112
1016	P	31.9	Very low	36.4	Very low	122 Å²	122	138.5 Å²	138.5	79%	0.792	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-89.9	132.5	154.6	-0.4	21.5	0	0	0	109.6	A1014	A1014-P1016 WeakPolarHBondContact O-CD 3.37Å
1017	K	26.9	Very low	36.5	Very low	202 Å²	202	135.5 Å²	135.5	88%	0.878	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-47.7	147	-178.3	-65.1	162.6	175.9	173.8	0	114.2
1018	A	29.8	Very low	37.4	Very low	102 Å²	102	133.7 Å²	133.7	84%	0.843	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-66.7	137	160.2	0	0	0	0	0	110.9
1019	E	29.5	Very low	38.7	Very low	175 Å²	175	129.2 Å²	129.2	82%	0.818	72%	0.718	S	S	*	*			trans	-105.9	144.4	158.4	-68.3	-167.6	148.8	0	0	109	I1021	E1019-I1021 PolarHBondContact O-N 3.37Å
1020	P	30.3	Very low	39.7	Very low	127 Å²	127	121.7 Å²	121.7	83%	0.825	69%	0.687	S	S	*	*			trans	-79.1	113.5	-174.2	30.7	-33.5	0	0	0	111.3
1021	I	33.7	Very low	40.6	Very low	130 Å²	130	116.3 Å²	116.3	67%	0.667	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-76.7	127.9	167	-58.5	179.9	0	0	0	108.1	E1019	E1019-I1021 PolarHBondContact O-N 3.37Å
1022	P	32.8	Very low	42	Very low	111 Å²	111	110.9 Å²	110.9	72%	0.721	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-60.8	163.8	179.5	-25.9	36.1	0	0	0	114.4
1023	A	34.1	Very low	43.7	Very low	60 Å²	60	105.3 Å²	105.3	50%	0.496	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-59.3	146.6	-169.7	0	0	0	0	0	114.2	E1025	A1023-E1025 HydrophobicContact CB-CB 4.26Å; A1023-E1025 HydrophobicContact CB-CG 3.99Å; A1023-E1025 PolarHBondContact O-N 3.07Å
1024	A	42.3	Very low	45.5	Very low	55 Å²	55	95.1 Å²	95.1	46%	0.455	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.6	22.8	174	0	0	0	0	0	114
1025	E	48	Very low	47.3	Very low	159 Å²	159	92.1 Å²	92.1	74%	0.743	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-17.8	-174.4	-63.4	178.5	140.4	0	0	112.8	A1023 H1028	A1023-E1025 HydrophobicContact CB-CB 4.26Å; A1023-E1025 HydrophobicContact CB-CG 3.99Å; A1023-E1025 PolarHBondContact O-N 3.07Å; E1025-H1028 PolarHBondContact O-CE1 2.71Å
1026	E	49.8	Very low	49	Very low	153 Å²	153	89.6 Å²	89.6	72%	0.715	51%	0.508	S	S	*	.	S	Bend	trans	-85.3	-21.5	-178	-64.5	-158.6	147.6	0	0	114.7	H1028	E1026-H1028 PolarHBondContact O-ND1 3.43Å
1027	L	49.6	Very low	50.6	Low	67 Å²	67	85.7 Å²	85.7	35%	0.351	49%	0.486	S	S	.	.			trans	-90.1	121.9	-179.8	-78.2	122.8	0	0	0	111.6	A1031 G1032	L1027-A1031 HydrophobicContact CD2-CB 3.74Å; L1027-G1032 WeakPolarHBondContact O-CA 3.35Å
1028	H	57.4	Low	52.5	Low	115 Å²	115	78 Å²	78	53%	0.532	46%	0.455	S	S	.	.			trans	-110	-176.9	178.8	-68.3	62.2	0	0	0	109.4	E833 E1025 E1026 G1032	E833-H1028 WeakPolarHBondContact OE1-CA 3.49Å; E833-H1028 WeakPolarHBondContact OE1-CB 3.49Å; E1025-H1028 PolarHBondContact O-CE1 2.71Å; E1026-H1028 PolarHBondContact O-ND1 3.43Å; H1028-G1032 PolarHBondContact O-N 3.27Å
1029	G	64.6	Low	54.2	Low	49 Å²	49	77.8 Å²	77.8	51%	0.505	44%	0.439	S	S	.	.	H	α-helix	trans	56.8	-152.2	176.9	0	0	0	0	0	114.9	E833 A1031 G1032 A1033	E833-G1029 PolarHBondContact OE1-N 2.8Å; G1029-A1031 VanDerWaalsContact C-N 3.29Å; G1029-A1031 PolarHBondContact O-N 3.05Å; G1029-G1032 PolarHBondContact O-N 3.27Å; G1029-A1033 PolarHBondContact O-N 3.11Å; G1029-A1033 VanDerWaalsContact O-N 3.15Å
1030	I	63.5	Low	56	Low	32 Å²	32	75.2 Å²	75.2	16%	0.164	43%	0.427	C	S	.	.	H	α-helix	trans	-59.8	-37.3	179.6	-70.6	178.3	0	0	0	111.9	F820 V826 D829 A1033 L1034	F820-I1030 HydrophobicContact CB-CD1 4.44Å; F820-I1030 HydrophobicContact CB-CG2 3.77Å; F820-I1030 HydrophobicContact CD1-CB 4.36Å; F820-I1030 HydrophobicContact CD1-CD1 4.34Å; F820-I1030 HydrophobicContact CD1-CG1 3.97Å; F820-I1030 HydrophobicContact CD1-CG2 3.8Å; F820-I1030 HydrophobicContact CD2-CG2 4.17Å; F820-I1030 HydrophobicContact CE1-CG2 4.46Å; F820-I1030 HydrophobicContact CG-CG2 3.65Å; V826-I1030 HydrophobicContact CG2-CG2 4.12Å; D829-I1030 HydrophobicContact CB-CD1 4.28Å; D829-I1030 WeakPolarHBondContact OD2-CD1 3.39Å; I1030-A1033 PolarHBondContact O-N 2.95Å; I1030-L1034 WeakPolarHBondContact O-CB 3.45Å; I1030-L1034 PolarHBondContact O-N 3.38Å
1031	A	60.5	Low	57.6	Low	12 Å²	12	75.6 Å²	75.6	10%	0.099	41%	0.412	C	S	.	.	H	α-helix	trans	-65.8	-41.1	179.6	0	0	0	0	0	112.3	L830 L1027 G1029 A1033 L1034 A1035	L830-A1031 HydrophobicContact CD2-CB 3.9Å; L1027-A1031 HydrophobicContact CD2-CB 3.74Å; G1029-A1031 VanDerWaalsContact C-N 3.29Å; G1029-A1031 PolarHBondContact O-N 3.05Å; A1031-A1033 VanDerWaalsContact C-N 3.31Å; A1031-A1033 PolarHBondContact O-N 3.47Å; A1031-L1034 PolarHBondContact O-N 3.46Å; A1031-A1035 WeakPolarHBondContact O-CB 3.1Å; A1031-A1035 PolarHBondContact O-N 2.91Å
1032	G	68.6	Low	58.9	Low	2 Å²	2	78 Å²	78	2%	0.021	41%	0.412	C	S	.	.	H	α-helix	trans	-70	-23.6	174.3	0	0	0	0	0	114.4	L1027 H1028 G1029 R1036	L1027-G1032 WeakPolarHBondContact O-CA 3.35Å; H1028-G1032 PolarHBondContact O-N 3.27Å; G1029-G1032 PolarHBondContact O-N 3.27Å; G1032-R1036 PolarHBondContact O-NE 3.41Å
1033	A	68.3	Low	60.2	Low	35 Å²	35	75.9 Å²	75.9	29%	0.289	40%	0.4	S	S	.	.	H	α-helix	trans	-79.4	-45.1	172.1	0	0	0	0	0	111.6	F820 G1029 I1030 A1031 A1035 R1036 A1037	F820-A1033 HydrophobicContact CE1-CB 4.02Å; F820-A1033 HydrophobicContact CZ-CB 3.63Å; G1029-A1033 PolarHBondContact O-N 3.11Å; G1029-A1033 VanDerWaalsContact O-N 3.15Å; I1030-A1033 PolarHBondContact O-N 2.95Å; A1031-A1033 VanDerWaalsContact C-N 3.31Å; A1031-A1033 PolarHBondContact O-N 3.47Å; A1033-A1035 PolarHBondContact O-N 2.98Å; A1033-R1036 PolarHBondContact O-N 3.48Å; A1033-A1037 PolarHBondContact O-N 3.19Å
1034	L	68.9	Low	61.1	Low	6 Å²	6	79.8 Å²	79.8	3%	0.031	41%	0.408	C	S	.	.	H	α-helix	trans	-56.3	-47.9	174.3	176.7	63.3	0	0	0	111.6	V800 V816 F820 I1030 A1031 R1036 A1037 L1038	V800-L1034 HydrophobicContact CG1-CD2 4.1Å; V800-L1034 HydrophobicContact CG1-CG 4.18Å; V800-L1034 HydrophobicContact CG2-CD2 4.05Å; V816-L1034 HydrophobicContact CB-CD1 4.22Å; V816-L1034 HydrophobicContact CG1-CD1 3.53Å; F820-L1034 HydrophobicContact CE2-CB 4.42Å; I1030-L1034 WeakPolarHBondContact O-CB 3.45Å; I1030-L1034 PolarHBondContact O-N 3.38Å; A1031-L1034 PolarHBondContact O-N 3.46Å; L1034-R1036 VanDerWaalsContact C-N 3.31Å; L1034-R1036 PolarHBondContact O-N 3.47Å; L1034-A1037 PolarHBondContact O-N 3.3Å; L1034-L1038 HydrophobicContact CD1-CD1 3.92Å; L1034-L1038 HydrophobicContact CD1-CG 4.35Å; L1034-L1038 HydrophobicContact CG-CD1 3.99Å; L1034-L1038 WeakPolarHBondContact O-CD1 3.46Å; L1034-L1038 VanDerWaalsContact O-CG 3.28Å; L1034-L1038 WeakPolarHBondContact O-CG 3.45Å; L1034-L1038 PolarHBondContact O-N 3.37Å; L1034-L1038 VanDerWaalsContact O-N 3.11Å
1035	A	67.6	Low	61.2	Low	22 Å²	22	83.1 Å²	83.1	18%	0.182	42%	0.416	C	S	.	.	H	α-helix	trans	-60.3	-38.2	178.1	0	0	0	0	0	113	V800 A1031 A1033 L1039	V800-A1035 HydrophobicContact CG1-CB 4.2Å; A1031-A1035 WeakPolarHBondContact O-CB 3.1Å; A1031-A1035 PolarHBondContact O-N 2.91Å; A1033-A1035 PolarHBondContact O-N 2.98Å; A1035-L1039 PolarHBondContact O-N 3.17Å
1036	R	71.2	Confident	61.1	Low	146 Å²	146	80.9 Å²	80.9	55%	0.551	41%	0.413	S	S	*	.	H	α-helix	trans	-69.4	-48.7	176.2	-88.9	175.3	-89.4	-159.5	-15.4	112.4	G1032 A1033 L1034 L1038 L1039 E1040	G1032-R1036 PolarHBondContact O-NE 3.41Å; A1033-R1036 PolarHBondContact O-N 3.48Å; L1034-R1036 VanDerWaalsContact C-N 3.31Å; L1034-R1036 PolarHBondContact O-N 3.47Å; R1036-L1038 PolarHBondContact O-N 3.16Å; R1036-L1039 PolarHBondContact O-N 2.62Å; R1036-E1040 WeakPolarHBondContact O-CB 3.36Å; R1036-E1040 PolarHBondContact O-N 2.86Å
1037	A	66.3	Low	60.6	Low	39 Å²	39	77.6 Å²	77.6	32%	0.322	41%	0.412	S	S	.	.	H	α-helix	trans	-59.3	-31.9	179.1	0	0	0	0	0	112.9	A1033 L1034 R1041	A1033-A1037 PolarHBondContact O-N 3.19Å; L1034-A1037 PolarHBondContact O-N 3.3Å; A1037-R1041 WeakPolarHBondContact O-CB 3.4Å; A1037-R1041 PolarHBondContact O-N 2.98Å
1038	L	65.2	Low	60	Low	42 Å²	42	78.7 Å²	78.7	22%	0.22	43%	0.431	C	S	.	.	H	α-helix	trans	-75.4	-37.6	174.5	-69.1	165.2	0	0	0	112.9	V800 L802 L1034 R1036 R1042	V800-L1038 HydrophobicContact CG1-CD1 4.48Å; L802-L1038 HydrophobicContact CD1-CD1 3.93Å; L1034-L1038 HydrophobicContact CD1-CD1 3.92Å; L1034-L1038 HydrophobicContact CD1-CG 4.35Å; L1034-L1038 HydrophobicContact CG-CD1 3.99Å; L1034-L1038 WeakPolarHBondContact O-CD1 3.46Å; L1034-L1038 VanDerWaalsContact O-CG 3.28Å; L1034-L1038 WeakPolarHBondContact O-CG 3.45Å; L1034-L1038 PolarHBondContact O-N 3.37Å; L1034-L1038 VanDerWaalsContact O-N 3.11Å; R1036-L1038 PolarHBondContact O-N 3.16Å; L1038-R1042 WeakPolarHBondContact O-CB 3.42Å; L1038-R1042 PolarHBondContact O-N 3.41Å
1039	L	66.5	Low	58.9	Low	96 Å²	96	80.5 Å²	80.5	50%	0.503	45%	0.445	S	S	.	.	H	α-helix	trans	-66.9	-46.6	176.1	-100.3	160.9	0	0	0	112.3	A1035 R1036 R1042 S1043	A1035-L1039 PolarHBondContact O-N 3.17Å; R1036-L1039 PolarHBondContact O-N 2.62Å; L1039-R1042 WeakPolarHBondContact O-CB 3.33Å; L1039-R1042 PolarHBondContact O-N 3.47Å; L1039-S1043 PolarHBondContact O-N 3.29Å; L1039-S1043 VanDerWaalsContact O-N 3.13Å; L1039-S1043 PolarHBondContact O-OG 3.33Å
1040	E	67.7	Low	57.7	Low	122 Å²	122	87 Å²	87	57%	0.57	46%	0.462	S	S	*	.	H	α-helix	trans	-65.2	-42.5	-177.3	-172.4	164.9	-139.8	0	0	111.8	R1036 R1042 S1043 Q1044	R1036-E1040 WeakPolarHBondContact O-CB 3.36Å; R1036-E1040 PolarHBondContact O-N 2.86Å; E1040-R1042 VanDerWaalsContact C-N 3.31Å; E1040-R1042 PolarHBondContact O-N 3.02Å; E1040-S1043 WeakPolarHBondContact CA-OG 3.28Å; E1040-S1043 PolarHBondContact O-N 2.73Å; E1040-S1043 PolarHBondContact O-OG 2.72Å; E1040-Q1044 WeakPolarHBondContact O-CG 3.13Å; E1040-Q1044 PolarHBondContact O-N 3.44Å
1041	R	64.2	Low	56.4	Low	135 Å²	135	90.7 Å²	90.7	51%	0.509	49%	0.49	S	S	.	.	H	α-helix	trans	-63.8	-35	173.1	-161.5	180	-162.9	100.8	4.4	112.3	A1037 Q1044 M1045	A1037-R1041 WeakPolarHBondContact O-CB 3.4Å; A1037-R1041 PolarHBondContact O-N 2.98Å; R1041-Q1044 PolarHBondContact O-N 3.37Å; R1041-M1045 HydrophobicContact CG-SD 4.38Å; R1041-M1045 WeakPolarHBondContact O-CG 3.46Å; R1041-M1045 PolarHBondContact O-N 3.47Å
1042	R	61	Low	55.3	Low	179 Å²	179	94 Å²	94	68%	0.675	51%	0.513	S	S	*	.	H	α-helix	trans	-64.6	-44.3	175.8	-172.2	-176	-176.3	-158.6	0.9	111.7	L1038 L1039 E1040 Q1044 M1045 T1046	L1038-R1042 WeakPolarHBondContact O-CB 3.42Å; L1038-R1042 PolarHBondContact O-N 3.41Å; L1039-R1042 WeakPolarHBondContact O-CB 3.33Å; L1039-R1042 PolarHBondContact O-N 3.47Å; E1040-R1042 VanDerWaalsContact C-N 3.31Å; E1040-R1042 PolarHBondContact O-N 3.02Å; R1042-Q1044 VanDerWaalsContact C-N 3.32Å; R1042-Q1044 PolarHBondContact O-N 3.42Å; R1042-M1045 PolarHBondContact O-N 3.28Å; R1042-T1046 PolarHBondContact O-OG1 3.25Å
1043	S	58.2	Low	53.8	Low	67 Å²	67	101.5 Å²	101.5	47%	0.469	55%	0.547	S	S	.	.	H	α-helix	trans	-62.8	-36.4	176.6	32.7	0	0	0	0	113.1	L1039 E1040 M1045 T1046	L1039-S1043 PolarHBondContact O-N 3.29Å; L1039-S1043 VanDerWaalsContact O-N 3.13Å; L1039-S1043 PolarHBondContact O-OG 3.33Å; E1040-S1043 WeakPolarHBondContact CA-OG 3.28Å; E1040-S1043 PolarHBondContact O-N 2.73Å; E1040-S1043 PolarHBondContact O-OG 2.72Å; S1043-M1045 PolarHBondContact O-N 2.76Å; S1043-T1046 PolarHBondContact O-N 2.78Å
1044	Q	54.3	Low	52.4	Low	142 Å²	142	107.5 Å²	107.5	66%	0.664	57%	0.569	S	S	*	*	H	α-helix	trans	-70.3	-17.9	177	-68.9	173.4	2.8	0	0	113.4	E1040 R1041 R1042	E1040-Q1044 WeakPolarHBondContact O-CG 3.13Å; E1040-Q1044 PolarHBondContact O-N 3.44Å; R1041-Q1044 PolarHBondContact O-N 3.37Å; R1042-Q1044 VanDerWaalsContact C-N 3.32Å; R1042-Q1044 PolarHBondContact O-N 3.42Å
1045	M	44.7	Very low	50.9	Low	125 Å²	125	114.6 Å²	114.6	62%	0.616	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-2.9	179	-71.3	174.6	62.6	0	0	114.1	R1041 R1042 S1043	R1041-M1045 HydrophobicContact CG-SD 4.38Å; R1041-M1045 WeakPolarHBondContact O-CG 3.46Å; R1041-M1045 PolarHBondContact O-N 3.47Å; R1042-M1045 PolarHBondContact O-N 3.28Å; S1043-M1045 PolarHBondContact O-N 2.76Å
1046	T	44.8	Very low	49.5	Very low	112 Å²	112	119.6 Å²	119.6	69%	0.687	63%	0.626	S	S	*	*	S	Bend	trans	-124.1	22.3	-177.1	63.3	0	0	0	0	113.6	R1042 S1043	R1042-T1046 PolarHBondContact O-OG1 3.25Å; S1043-T1046 PolarHBondContact O-N 2.78Å
1047	A	39.9	Very low	47.9	Very low	84 Å²	84	119.6 Å²	119.6	69%	0.694	64%	0.637	S	S	*	*	S	Bend	trans	-141.3	34.6	-171.5	0	0	0	0	0	112.6
1048	A	36.5	Very low	46.4	Very low	90 Å²	90	125.6 Å²	125.6	74%	0.744	66%	0.658	S	S	*	*			trans	-138.5	35.3	-172.6	0	0	0	0	0	113.4
1049	D	35	Very low	45.1	Very low	154 Å²	154	131.4 Å²	131.4	82%	0.824	68%	0.684	S	S	*	*			trans	-124.9	151.9	158.5	-78.5	-57.1	0	0	0	106.4
1050	E	38.7	Very low	43.7	Very low	185 Å²	185	133.7 Å²	133.7	86%	0.864	70%	0.697	S	S	*	*			trans	73.1	95.9	-169.1	-52.8	178.5	-174	0	0	112.2
1051	S	36.4	Very low	42.4	Very low	109 Å²	109	135 Å²	135	76%	0.762	71%	0.708	S	S	*	*				66.1	140.6	86.8	68	0	0	0	0	115.2
1052	S	36.5	Very low	41.2	Very low	82 Å²	82	136 Å²	136	57%	0.573	72%	0.723	S	S	*	*			cis	-173.2	161.1	-8.4	51.7	0	0	0	0	108.4
1053	E	37.8	Very low	40.6	Very low	159 Å²	159	134 Å²	134	74%	0.743	73%	0.726	S	S	*	*			trans	59.3	165.5	174.8	-70	96.1	-138.7	0	0	114.5
1054	E	39.8	Very low	39.9	Very low	161 Å²	161	138.7 Å²	138.7	75%	0.752	74%	0.741	S	S	*	*			cis	-152.3	-177.4	2	-133.2	150.2	-144.9	0	0	110.1
1055	E	37.3	Very low	39.8	Very low	155 Å²	155	143.9 Å²	143.9	72%	0.724	75%	0.754	S	S	*	*			trans	-17.8	161.5	157.1	-64.6	164.9	-176.2	0	0	118.9
1056	D	37.2	Very low	39.4	Very low	128 Å²	128	145.2 Å²	145.2	68%	0.684	76%	0.764	S	S	*	*			cis	-169.2	-170.4	-8.8	-105.6	-17.5	0	0	0	108.5
1057	D	37.5	Very low	39.4	Very low	145 Å²	145	151.6 Å²	151.6	78%	0.775	79%	0.794	S	S	*	*			trans	62.8	158	159.3	-60.9	-18.5	0	0	0	118.7
1058	E	35.7	Very low	39.4	Very low	165 Å²	165	155 Å²	155	77%	0.771	80%	0.799	S	S	*	*			cis	-178.1	174.7	-37.7	-114.6	-167.9	170.1	0	0	105.1
1059	E	36.5	Very low	39.6	Very low	164 Å²	164	158.4 Å²	158.4	77%	0.766	80%	0.802	S	S	*	*			trans	63.7	109.2	165.2	-65.5	-176.7	162.3	0	0	121.8
1060	D	38.3	Very low	39.8	Very low	145 Å²	145	158.7 Å²	158.7	78%	0.775	80%	0.801	S	S	*	*				79.3	170.4	120.5	-64.3	0.9	0	0	0	125.2
1061	D	39.6	Very low	39.9	Very low	149 Å²	149	157.1 Å²	157.1	80%	0.797	80%	0.797	S	S	*	*			trans	72.8	81.8	170.8	-67	-10.3	0	0	0	121.5
1062	D	39.2	Very low	40.1	Very low	155 Å²	155	160.1 Å²	160.1	83%	0.829	80%	0.799	S	S	*	*				53.3	-174.7	112.2	-78.4	-5.2	0	0	0	123.2
1063	D	47.8	Very low	40.4	Very low	138 Å²	138	165.3 Å²	165.3	74%	0.738	81%	0.814	S	S	*	*			trans	63.8	90.8	178.2	-65.4	-7.9	0	0	0	118
1064	E	45.2	Very low	40.5	Very low	165 Å²	165	165.8 Å²	165.8	77%	0.771	82%	0.82	S	S	*	*				65.9	100.3	76.9	-168.3	-178.9	-144.5	0	0	115.2
1065	W	50.6	Low	40.6	Very low	251 Å²	251	166.2 Å²	166.2	95%	0.951	83%	0.825	S	S	*	*			trans	-146.8	112.3	155.9	-77.7	95.4	0	0	0	111.8
1066	D	36.6	Very low	40.9	Very low	154 Å²	154	167.1 Å²	167.1	82%	0.824	83%	0.833	S	S	*	*			trans	-80.8	145	169.5	-94.5	-22.1	0	0	0	112.2
1067	D	46.2	Very low	41.2	Very low	246 Å²	246	170.6 Å²	170.6	100%	1.316	85%	0.847	S	S	*	*			trans	-164.9	0	146.4	-130.2	4.1	0	0	0	112.5

Retrieved 1,067 of 1,067 residues in 907.8 ms (Link to these results)

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