A0A087XS99_POEFO Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A087XS99, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,135 aa.

						>A0A087XS99_POEFO|A0A087XS99
MLTSVRCVLTKLVSSIWRTADAGGDNIFTESPGTEDIRHLRGSVVTQLCLDYGMIDDAIYFTSSEVLGGIQLKEGDQVNCIAIRDGAEKGWKALRVEKSADAWEDGGRTSLEADSMQLRPLIGTVTSFDGDSGYINQTTYFTRYSLSEGYEPMKGDWIQAKFYINPTQWTTQAHSVAPLRYSRLNQVRVTSVYGNSGVVEDSVFFSLDSLLLPAEYKPSPGDLVNLVMVESCQSFYSWRALCIAPCRQSMNFAAEPLLEAELNHLLENKGGIDVSDYGQFGDLMLGERCELVLWIQNNGSESQTLKCCDFAGWDSAEQFTVVTVSTAPNQRQKPVHKNFPESSEEQVGDAKKVKRENGAMQTDADLPHDARKKREVEISPGERVSVVIACKAKSLGCCTELLLLHFSSFTIGRRLLVTVGSEDENLLKPSEVYCPSNAKVLSKAPSHVVTVSAPKVLPRLSKRRLPNFLPSFPVPKALRDCVESEKDVLAVQPCLGEALSPSNMFSRFSTLLWLEELNAEKELREFSISGALLRKGGVYLHLEVLGLAEGRPNLNIGDRVLLKKLQSDGLEMEYISYVTEINDENVSLRVNSNFHHSYLGEPLDVEFTYNRLTIRRCHNALELTKHFGEILFPSRVSPQTHLWTGEWMDENPPAENGDTSKPCVDIKSKATQTKGKGKQTSKPMPSKGQFFNPDLNPCQKEAVKRVLEAECRPLPYVLFGPPGTGKTITLIEIILQVYHFLPSSRVLVCTPSNSAADLICVRLHHSGFLHAASLARVNASSRETESLPEVLQPYSRAGEDIRHAAFHRIVVSTCSSAGMFHNIGIQEGHFTHVFLDEAGQATEPESLIPISFVSERDGQIVLAGDPCQLGPIVKSNLANAFGLGMSLLERLMTNPLYTKQDWGYNPKLVTKLIYNYRSHGALLMLPSKLFYLGELCFKAQREIVDSLCQWKNLPKKDFPLFFHGVRGTEMREGNNPSWFNPVEAVQVMLYCCQLAKKLYNPVHPSDIGIIAPYRKQCEKIRVLLGKVGLSDIKVGSVEEFQGQEFLVIILSTVRSSESVESEDLQSSLGFLANPKRFNVAITRPKALLIIVGDPHTLIRDPCFRALLQYCFSNGAYLGCDPPQALRTSQIISENE
					

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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	26.1	Very low	25.2	Very low	226 Å²	226	148.8 Å²	148.8	100%	1.113	79%	0.792	S	S	*	*				0	99.9	0	-76.1	-162.2	-166	0	0	106.5
2	L	26	Very low	25.1	Very low	140 Å²	140	149.1 Å²	149.1	73%	0.733	79%	0.792	S	S	*	*				83.5	96.4	102.3	-94.3	123.7	0	0	0	107.4
3	T	30.9	Very low	25.2	Very low	141 Å²	141	148.3 Å²	148.3	87%	0.865	80%	0.796	S	S	*	*			cis	-96.9	118.3	34.9	40.1	0	0	0	0	113.4
4	S	23.1	Very low	25	Very low	78 Å²	78	144 Å²	144	55%	0.545	78%	0.783	S	S	.	*			cis	36.9	130.2	45.7	-60.8	0	0	0	0	114
5	V	28.6	Very low	24.9	Very low	121 Å²	121	140.9 Å²	140.9	73%	0.733	78%	0.777	S	S	*	*			cis	-175.5	126.4	-7.4	139.3	0	0	0	0	102.7	C7	V5-C7 HydrophobicContact CG1-CB 4.1Å
6	R	25	Very low	24.8	Very low	246 Å²	246	142 Å²	142	93%	0.928	78%	0.779	S	S	*	*			trans	-177.2	74.9	150.8	-103.8	-173.4	172	176.7	-2	103.6
7	C	21.6	Very low	24.8	Very low	98 Å²	98	146.7 Å²	146.7	66%	0.662	78%	0.782	S	S	*	*				42.4	87.3	52.4	-146.7	0	0	0	0	113.3	V5	V5-C7 HydrophobicContact CG1-CB 4.1Å
8	V	24.3	Very low	24.7	Very low	124 Å²	124	152.4 Å²	152.4	75%	0.752	79%	0.791	S	S	*	*				48.5	102.6	121.3	-174.9	0	0	0	0	115.7
9	L	23.2	Very low	25	Very low	161 Å²	161	150 Å²	150	84%	0.843	78%	0.784	S	S	*	*			trans	-165.9	118.1	142.7	-95.1	153.1	0	0	0	102.9
10	T	23.2	Very low	24.9	Very low	125 Å²	125	147.2 Å²	147.2	77%	0.767	78%	0.783	S	S	*	*			cis	-161.5	133.2	34.8	-34	0	0	0	0	109.6
11	K	25.1	Very low	24.9	Very low	177 Å²	177	147.6 Å²	147.6	77%	0.77	79%	0.786	S	S	*	*			trans	-60	158.6	163.6	-77.7	174.9	167	177	0	111.4
12	L	24.8	Very low	24.9	Very low	152 Å²	152	141.9 Å²	141.9	80%	0.796	77%	0.774	S	S	*	*			trans	74.5	100.9	142.7	-77.4	153.3	0	0	0	118.9
13	V	25.5	Very low	24.8	Very low	139 Å²	139	139.3 Å²	139.3	84%	0.842	78%	0.782	S	S	*	*			trans	-153	92.8	137.9	-175.4	0	0	0	0	106.9
14	S	22.7	Very low	24.5	Very low	88 Å²	88	136 Å²	136	62%	0.615	78%	0.776	S	S	*	*				78.1	113.6	105.6	86.9	0	0	0	0	116.7
15	S	23.4	Very low	24.6	Very low	98 Å²	98	139.6 Å²	139.6	69%	0.685	79%	0.789	S	S	*	*				61.3	136.6	118.3	-36.1	0	0	0	0	122.2
16	I	22.9	Very low	24.5	Very low	158 Å²	158	141.4 Å²	141.4	81%	0.81	79%	0.794	S	S	*	*			trans	90.9	121.1	137.7	-68.2	152.3	0	0	0	117.8
17	W	24.7	Very low	24.7	Very low	222 Å²	222	136.3 Å²	136.3	84%	0.841	78%	0.784	S	S	*	*			trans	-25.7	143.4	155.8	-73.1	45.1	0	0	0	115.4
18	R	23.2	Very low	24.9	Very low	250 Å²	250	141.5 Å²	141.5	94%	0.943	80%	0.796	S	S	*	*			trans	-150.6	106.8	141.3	-112.5	179.6	-169.2	178.6	2.9	111.2
19	T	31.3	Very low	25.1	Very low	106 Å²	106	141 Å²	141	65%	0.65	79%	0.793	S	S	*	*			trans	-64.8	149.7	143.8	38.6	0	0	0	0	110.5
20	A	22.5	Very low	25.2	Very low	93 Å²	93	141.9 Å²	141.9	77%	0.769	79%	0.793	S	S	*	*			trans	-174.9	104.3	144.7	0	0	0	0	0	106.1
21	D	24.3	Very low	25.5	Very low	157 Å²	157	141.4 Å²	141.4	84%	0.84	80%	0.795	S	S	*	*				51.3	118.5	76.4	-76.7	-21.1	0	0	0	113.9
22	A	26.2	Very low	26.2	Very low	105 Å²	105	139.5 Å²	139.5	87%	0.868	80%	0.801	S	S	*	*				159.3	142.3	92	0	0	0	0	0	113.4
23	G	24.5	Very low	27	Very low	86 Å²	86	135.4 Å²	135.4	89%	0.887	80%	0.795	S	S	*	*			trans	113	123	149.1	0	0	0	0	0	114.8
24	G	24.9	Very low	27.6	Very low	72 Å²	72	135.4 Å²	135.4	74%	0.742	80%	0.796	S	S	*	*			cis	168.2	131.1	1.8	0	0	0	0	0	109.2
25	D	25.4	Very low	28.8	Very low	153 Å²	153	138.1 Å²	138.1	82%	0.818	80%	0.799	S	S	*	*			trans	26.3	125.5	155.7	-55.6	-21	0	0	0	122.8
26	N	25.4	Very low	30.2	Very low	160 Å²	160	138.7 Å²	138.7	86%	0.856	79%	0.794	S	S	*	*				-169.1	148.3	105.5	-97.8	-33.8	0	0	0	114
27	I	29.3	Very low	32.1	Very low	138 Å²	138	135.3 Å²	135.3	71%	0.708	78%	0.776	S	S	*	*			trans	-70.7	142.1	-171.7	-65.4	151.8	0	0	0	112.9
28	F	26.6	Very low	33.9	Very low	207 Å²	207	131.2 Å²	131.2	91%	0.908	76%	0.761	S	S	*	*			trans	-169.4	142.5	130.7	-100.7	-72.7	0	0	0	111.6
29	T	27.5	Very low	36.4	Very low	114 Å²	114	125.8 Å²	125.8	70%	0.699	75%	0.746	S	S	*	*			trans	-81.6	142	-175.7	41.2	0	0	0	0	113.6
30	E	25.2	Very low	37.9	Very low	180 Å²	180	123.5 Å²	123.5	84%	0.841	73%	0.73	S	S	*	*				146.7	131.6	127.4	-79.8	-171.3	167.7	0	0	115.3
31	S	31.1	Very low	40.3	Very low	115 Å²	115	129.8 Å²	129.8	80%	0.804	73%	0.733	S	S	*	*			trans	77.5	126.3	161.3	71.3	0	0	0	0	120.6
32	P	38.6	Very low	42	Very low	137 Å²	137	124 Å²	124	89%	0.89	71%	0.711	S	S	*	*			trans	-90.9	116.3	174.4	33.6	-26.2	0	0	0	110.2
33	G	41.3	Very low	44.4	Very low	66 Å²	66	119.5 Å²	119.5	68%	0.68	67%	0.673	S	S	*	*			trans	163.9	91.7	170.1	0	0	0	0	0	114
34	T	39.6	Very low	47	Very low	139 Å²	139	117.6 Å²	117.6	85%	0.853	64%	0.644	S	S	*	*				173.9	119.3	129.8	30.3	0	0	0	0	107.7	D36	T34-D36 PolarHBondContact O-N 3.21Å
35	E	48	Very low	49.8	Very low	145 Å²	145	114.2 Å²	114.2	68%	0.678	61%	0.609	S	S	*	*			trans	-63.5	121.5	169.8	-66.9	179	169.7	0	0	108.8	I37	E35-I37 WeakPolarHBondContact O-CG1 3.4Å; E35-I37 PolarHBondContact O-N 3.45Å; E35-I37 VanDerWaalsContact O-N 3.13Å
36	D	51.8	Low	52.1	Low	109 Å²	109	109.1 Å²	109.1	58%	0.583	58%	0.583	S	S	*	*			trans	-69.6	104.6	175.5	-106.7	-15.5	0	0	0	109.1	T34 W91	T34-D36 PolarHBondContact O-N 3.21Å; D36-W91 HydrophobicContact CB-CH2 4.41Å; D36-W91 WeakPolarHBondContact O-CZ3 3.25Å
37	I	63.9	Low	54.3	Low	87 Å²	87	106.1 Å²	106.1	45%	0.446	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.5	125.7	178.9	-45.7	-169.8	0	0	0	110.1	E35 I81 I83	E35-I37 WeakPolarHBondContact O-CG1 3.4Å; E35-I37 PolarHBondContact O-N 3.45Å; E35-I37 VanDerWaalsContact O-N 3.13Å; I37-I81 HydrophobicContact CG2-CG2 3.38Å; I37-I83 HydrophobicContact CB-CG2 4.25Å; I37-I83 HydrophobicContact CD1-CG2 4.38Å; I37-I83 HydrophobicContact CG1-CG2 3.81Å; I37-I83 HydrophobicContact CG2-CG2 4.14Å
38	R	61.9	Low	56.2	Low	136 Å²	136	102.3 Å²	102.3	51%	0.513	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.9	173.4	-76.9	-175.3	-177.9	-179.7	0.7	111.4	I81 A82 W91	R38-I81 CarbonylContact O-C 3.57Å; R38-I81 WeakPolarHBondContact O-CA 3.09Å; R38-A82 PolarHBondContact N-O 3.24Å; R38-A82 PolarHBondContact O-N 2.91Å; R38-W91 HydrophobicContact CB-CE3 4.48Å; R38-W91 HydrophobicContact CB-CH2 4.34Å; R38-W91 HydrophobicContact CB-CZ3 3.92Å; R38-W91 HydrophobicContact CG-CE3 4.5Å; R38-W91 HydrophobicContact CG-CH2 3.55Å; R38-W91 HydrophobicContact CG-CZ2 4.32Å; R38-W91 HydrophobicContact CG-CZ3 3.64Å; R38-W91 VanDerWaalsContact NE-CH2 3.27Å; R38-W91 VanDerWaalsContact NE-CZ2 3.26Å
39	H	75.6	Confident	57.6	Low	136 Å²	136	94.8 Å²	94.8	63%	0.63	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	122.6	172.3	-66	-101.9	0	0	0	109.5	I81	H39-I81 VanDerWaalsContact CE1-CD1 3.48Å; H39-I81 WeakPolarHBondContact CE1-CD1 3.48Å; H39-I81 WeakPolarHBondContact ND1-CG1 3.43Å
40	L	62.8	Low	59.2	Low	59 Å²	59	98.3 Å²	98.3	31%	0.309	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	135.7	-178.1	-64.1	163.3	0	0	0	109.1	I59 N79 C80	L40-I59 HydrophobicContact CD1-CD1 3.14Å; L40-N79 CarbonylContact O-C 3.59Å; L40-N79 WeakPolarHBondContact O-CA 3.44Å; L40-C80 PolarHBondContact N-O 3.27Å; L40-C80 PolarHBondContact O-N 3.05Å
41	R	71.9	Confident	60.6	Low	225 Å²	225	95.4 Å²	95.4	85%	0.849	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.4	-178.3	-68.6	-172.6	-177.1	-172.7	0.7	110.4	S43 N79	R41-S43 VanDerWaalsContact C-N 3.29Å; R41-N79 WeakPolarHBondContact CA-OD1 3.43Å; R41-N79 WeakPolarHBondContact CB-OD1 3.5Å; R41-N79 HydrophobicContact CG-CB 4.43Å
42	G	60.6	Low	62.7	Low	36 Å²	36	94.9 Å²	94.9	37%	0.371	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	71.5	21.3	-178.7	0	0	0	0	0	114.4	V78 N79	G42-V78 PolarHBondContact N-O 3.19Å; G42-N79 PolarHBondContact N-OD1 3.18Å
43	S	76.9	Confident	64.6	Low	10 Å²	10	88.4 Å²	88.4	7%	0.07	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	156.5	173.8	-78	0	0	0	0	110.7	R41 I55 D56 Q77 V78	R41-S43 VanDerWaalsContact C-N 3.29Å; S43-I55 VanDerWaalsContact CB-CG2 3.44Å; S43-D56 WeakPolarHBondContact CB-OD2 3.15Å; S43-D56 PolarHBondContact OG-OD2 2.75Å; S43-Q77 CarbonylContact O-C 3.6Å; S43-Q77 WeakPolarHBondContact O-CA 3.37Å; S43-V78 PolarHBondContact N-O 2.91Å; S43-V78 WeakPolarHBondContact O-CG2 3.42Å; S43-V78 PolarHBondContact O-N 3.32Å
44	V	79.2	Confident	66.3	Low	46 Å²	46	87 Å²	87	28%	0.279	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.4	-171.4	-178.1	0	0	0	0	110.8	T46 I55 D56 Q77	V44-T46 PolarHBondContact O-N 3.17Å; V44-T46 VanDerWaalsContact O-N 3.09Å; V44-I55 WeakPolarHBondContact O-CA 3.45Å; V44-D56 PolarHBondContact N-OD1 3.24Å; V44-D56 PolarHBondContact O-N 3.25Å; V44-Q77 HydrophobicContact CG2-CG 4.1Å
45	V	84	Confident	68.1	Low	0 Å²	0	80.3 Å²	80.3	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	109.4	168.4	178.4	0	0	0	0	107.8	L48 M54 I55 F61 L72 E74 G75 D76 V78	V45-L48 HydrophobicContact CG1-CD1 3.91Å; V45-L48 HydrophobicContact CG1-CD2 4.38Å; V45-L48 HydrophobicContact CG1-CG 3.81Å; V45-M54 CarbonylContact C-O 3.34Å; V45-M54 WeakPolarHBondContact CA-O 3.33Å; V45-I55 HydrophobicContact CG2-CG1 4.38Å; V45-F61 HydrophobicContact CG1-CE1 4.27Å; V45-F61 HydrophobicContact CG1-CZ 4.2Å; V45-F61 HydrophobicContact CG2-CE1 4.36Å; V45-F61 HydrophobicContact CG2-CZ 4.3Å; V45-L72 HydrophobicContact CG2-CB 4.35Å; V45-L72 HydrophobicContact CG2-CD1 4.09Å; V45-E74 CarbonylContact O-C 3.52Å; V45-E74 WeakPolarHBondContact O-CA 3.37Å; V45-G75 PolarHBondContact O-N 2.76Å; V45-D76 HydrophobicContact CG2-CB 4.36Å; V45-D76 PolarHBondContact N-O 3.28Å; V45-V78 HydrophobicContact CG2-CG1 3.63Å; V45-V78 HydrophobicContact CG2-CG2 4.06Å
46	T	72	Confident	69.5	Low	46 Å²	46	77 Å²	77	28%	0.282	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-32.9	-171.5	33	0	0	0	0	111.9	V44 M54 D56 D57	V44-T46 PolarHBondContact O-N 3.17Å; V44-T46 VanDerWaalsContact O-N 3.09Å; T46-M54 PolarHBondContact N-O 3.27Å; T46-M54 PolarHBondContact OG1-O 3.18Å; T46-M54 VanDerWaalsContact OG1-O 3.1Å; T46-D56 PolarHBondContact OG1-N 3.32Å; T46-D57 VanDerWaalsContact CB-OD1 3.27Å; T46-D57 WeakPolarHBondContact CB-OD1 3.05Å; T46-D57 PolarHBondContact OG1-N 3.49Å; T46-D57 PolarHBondContact OG1-OD1 3.48Å
47	Q	72.3	Confident	70.4	Confident	97 Å²	97	77.2 Å²	77.2	45%	0.453	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	141.8	-179.5	-161	172.6	1.5	0	0	112.3	G53 M54 E74	Q47-G53 CarbonylContact O-C 3.6Å; Q47-G53 WeakPolarHBondContact O-CA 2.89Å; Q47-M54 HydrophobicContact CB-CB 4.15Å; Q47-M54 HydrophobicContact CB-CG 4.44Å; Q47-M54 PolarHBondContact N-O 2.68Å; Q47-M54 PolarHBondContact O-N 3.29Å; Q47-E74 WeakPolarHBondContact CA-OE1 3.45Å
48	L	68.6	Low	70.8	Confident	58 Å²	58	75.8 Å²	75.8	30%	0.304	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	117.8	174.5	-81.4	159.5	0	0	0	111.6	V45 F61 L72 K73 E74	V45-L48 HydrophobicContact CG1-CD1 3.91Å; V45-L48 HydrophobicContact CG1-CD2 4.38Å; V45-L48 HydrophobicContact CG1-CG 3.81Å; L48-F61 HydrophobicContact CD2-CZ 4.02Å; L48-L72 WeakPolarHBondContact CD1-O 3.5Å; L48-K73 VanDerWaalsContact CD1-C 3.41Å; L48-E74 HydrophobicContact CB-CG 4.06Å; L48-E74 HydrophobicContact CD1-CG 4.13Å; L48-E74 HydrophobicContact CG-CG 4.29Å; L48-E74 PolarHBondContact N-OE1 2.93Å
49	C	57.7	Low	71.6	Confident	50 Å²	50	69.8 Å²	69.8	34%	0.338	36%	0.363	S	S	.	.			trans	-100	173.3	174	-65.6	0	0	0	0	110.6	D51 Y52	C49-D51 PolarHBondContact O-N 2.81Å; C49-D51 VanDerWaalsContact O-N 3.14Å; C49-Y52 CarbonylContact C-O 3.6Å; C49-Y52 WeakPolarHBondContact CA-O 3.42Å; C49-Y52 HydrophobicContact CB-CD1 4.1Å; C49-Y52 HydrophobicContact CB-CE1 3.87Å; C49-Y52 WeakPolarHBondContact CB-O 3.5Å; C49-Y52 PolarHBondContact N-O 3.09Å
50	L	61.3	Low	71.9	Confident	188 Å²	188	66.4 Å²	66.4	98%	0.984	35%	0.345	S	S	*	.	S	Bend	trans	-60.1	-25.8	-174.7	-82.5	159	0	0	0	114
51	D	54.5	Low	72.8	Confident	118 Å²	118	63.8 Å²	63.8	63%	0.631	33%	0.332	S	S	*	.	S	Bend	trans	-131.4	-9.7	-171.2	53.9	-20.5	0	0	0	114.8	C49	C49-D51 PolarHBondContact O-N 2.81Å; C49-D51 VanDerWaalsContact O-N 3.14Å
52	Y	74.4	Confident	73	Confident	104 Å²	104	54.7 Å²	54.7	41%	0.408	30%	0.301	S	S	.	.			trans	-155.1	167.3	175.7	71.3	-83.6	0	0	0	112.2	C49 M54 F61	C49-Y52 CarbonylContact C-O 3.6Å; C49-Y52 WeakPolarHBondContact CA-O 3.42Å; C49-Y52 HydrophobicContact CB-CD1 4.1Å; C49-Y52 HydrophobicContact CB-CE1 3.87Å; C49-Y52 WeakPolarHBondContact CB-O 3.5Å; C49-Y52 PolarHBondContact N-O 3.09Å; Y52-M54 HydrophobicContact CE2-CG 4.48Å; Y52-M54 HydrophobicContact CE2-SD 4.46Å; Y52-F61 CarbonylContact C-O 3.53Å; Y52-F61 WeakPolarHBondContact CA-O 3.46Å; Y52-F61 WeakPolarHBondContact CB-O 3.39Å
53	G	78.6	Confident	73.6	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	165.3	175.2	0	0	0	0	0	112.8	Q47 Y60 F61	Q47-G53 CarbonylContact O-C 3.6Å; Q47-G53 WeakPolarHBondContact O-CA 2.89Å; G53-Y60 CarbonylContact O-C 3.46Å; G53-Y60 WeakPolarHBondContact O-CA 3.4Å; G53-F61 VanDerWaalsContact C-CD1 3.47Å; G53-F61 PolarHBondContact N-O 3.5Å; G53-F61 WeakPolarHBondContact O-CD1 3.29Å; G53-F61 PolarHBondContact O-N 3.14Å
54	M	75.7	Confident	73.3	Confident	36 Å²	36	62 Å²	62	18%	0.177	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.5	-179.7	-64	-66.3	-68.7	0	0	110.7	V45 T46 Q47 Y52 D57 I59 Y60	V45-M54 CarbonylContact C-O 3.34Å; V45-M54 WeakPolarHBondContact CA-O 3.33Å; T46-M54 PolarHBondContact N-O 3.27Å; T46-M54 PolarHBondContact OG1-O 3.18Å; T46-M54 VanDerWaalsContact OG1-O 3.1Å; Q47-M54 HydrophobicContact CB-CB 4.15Å; Q47-M54 HydrophobicContact CB-CG 4.44Å; Q47-M54 PolarHBondContact N-O 2.68Å; Q47-M54 PolarHBondContact O-N 3.29Å; Y52-M54 HydrophobicContact CE2-CG 4.48Å; Y52-M54 HydrophobicContact CE2-SD 4.46Å; M54-D57 WeakPolarHBondContact CE-O 3.4Å; M54-I59 CarbonylContact C-O 3.54Å; M54-I59 WeakPolarHBondContact CA-O 3.21Å; M54-Y60 VanDerWaalsContact SD-CB 3.59Å
55	I	79.1	Confident	72.9	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.8	173.3	-59.4	165.1	0	0	0	107.5	S43 V44 V45 D57 A58 I59 F61 V78 C80 V96	S43-I55 VanDerWaalsContact CB-CG2 3.44Å; V44-I55 WeakPolarHBondContact O-CA 3.45Å; V45-I55 HydrophobicContact CG2-CG1 4.38Å; I55-D57 PolarHBondContact O-N 2.84Å; I55-D57 VanDerWaalsContact O-N 3.15Å; I55-A58 PolarHBondContact O-N 2.78Å; I55-A58 VanDerWaalsContact O-N 3.14Å; I55-I59 HydrophobicContact CB-CB 4.28Å; I55-I59 PolarHBondContact N-O 3.11Å; I55-I59 PolarHBondContact O-N 2.89Å; I55-I59 VanDerWaalsContact O-N 3.08Å; I55-F61 HydrophobicContact CD1-CD1 3.69Å; I55-F61 HydrophobicContact CD1-CE1 4.03Å; I55-F61 HydrophobicContact CD1-CG 4.38Å; I55-F61 HydrophobicContact CG1-CD1 3.63Å; I55-F61 HydrophobicContact CG1-CE1 3.63Å; I55-V78 HydrophobicContact CD1-CG2 3.72Å; I55-V78 HydrophobicContact CG1-CG2 3.93Å; I55-V78 HydrophobicContact CG2-CG2 3.94Å; I55-C80 HydrophobicContact CD1-CB 3.93Å; I55-V96 HydrophobicContact CD1-CB 4.46Å; I55-V96 HydrophobicContact CD1-CG1 3.78Å; I55-V96 HydrophobicContact CD1-CG2 3.77Å
56	D	76.2	Confident	72.1	Confident	74 Å²	74	61.8 Å²	61.8	40%	0.396	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	36	-175.9	-58.4	-25.3	0	0	0	114.5	S43 V44 T46 A58	S43-D56 WeakPolarHBondContact CB-OD2 3.15Å; S43-D56 PolarHBondContact OG-OD2 2.75Å; V44-D56 PolarHBondContact N-OD1 3.24Å; V44-D56 PolarHBondContact O-N 3.25Å; T46-D56 PolarHBondContact OG1-N 3.32Å; D56-A58 PolarHBondContact O-N 3.23Å
57	D	72.1	Confident	71.3	Confident	114 Å²	114	62.5 Å²	62.5	61%	0.61	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	9.5	-176.6	-66.2	-39.7	0	0	0	115.8	T46 M54 I55	T46-D57 VanDerWaalsContact CB-OD1 3.27Å; T46-D57 WeakPolarHBondContact CB-OD1 3.05Å; T46-D57 PolarHBondContact OG1-N 3.49Å; T46-D57 PolarHBondContact OG1-OD1 3.48Å; M54-D57 WeakPolarHBondContact CE-O 3.4Å; I55-D57 PolarHBondContact O-N 2.84Å; I55-D57 VanDerWaalsContact O-N 3.15Å
58	A	71.9	Confident	70.3	Confident	58 Å²	58	61.6 Å²	61.6	48%	0.479	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.5	-18.8	-169.4	0	0	0	0	0	114.8	I55 D56	I55-A58 PolarHBondContact O-N 2.78Å; I55-A58 VanDerWaalsContact O-N 3.14Å; D56-A58 PolarHBondContact O-N 3.23Å
59	I	78.2	Confident	69.6	Low	9 Å²	9	62.2 Å²	62.2	5%	0.046	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	118	-175.1	-55.8	171.3	0	0	0	109.5	L40 M54 I55 A82 W91 A93	L40-I59 HydrophobicContact CD1-CD1 3.14Å; M54-I59 CarbonylContact C-O 3.54Å; M54-I59 WeakPolarHBondContact CA-O 3.21Å; I55-I59 HydrophobicContact CB-CB 4.28Å; I55-I59 PolarHBondContact N-O 3.11Å; I55-I59 PolarHBondContact O-N 2.89Å; I55-I59 VanDerWaalsContact O-N 3.08Å; I59-A82 HydrophobicContact CD1-CB 4.17Å; I59-A82 HydrophobicContact CG2-CB 3.8Å; I59-W91 WeakPolarHBondContact CA-O 3.43Å; I59-W91 HydrophobicContact CB-CB 4.35Å; I59-W91 HydrophobicContact CG1-CB 3.8Å; I59-W91 HydrophobicContact CG2-CB 4.37Å; I59-A93 HydrophobicContact CG2-CB 3.96Å
60	Y	81.6	Confident	69.9	Low	65 Å²	65	64.4 Å²	64.4	26%	0.255	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	142.9	179.7	86.3	-93	0	0	0	111.4	G53 M54 D85 W91 K92 A93	G53-Y60 CarbonylContact O-C 3.46Å; G53-Y60 WeakPolarHBondContact O-CA 3.4Å; M54-Y60 VanDerWaalsContact SD-CB 3.59Å; Y60-D85 HydrophobicContact CE1-CB 4.48Å; Y60-D85 PolarHBondContact OH-OD2 2.63Å; Y60-W91 VanDerWaalsContact CD1-O 3.27Å; Y60-W91 WeakPolarHBondContact CD1-O 3.38Å; Y60-W91 PolarHBondContact N-O 2.95Å; Y60-K92 HydrophobicContact CD1-CB 4.12Å; Y60-K92 HydrophobicContact CD1-CG 4.38Å; Y60-K92 HydrophobicContact CD2-CG 4.33Å; Y60-K92 HydrophobicContact CE1-CB 3.49Å; Y60-K92 VanDerWaalsContact CE1-CB 3.49Å; Y60-K92 HydrophobicContact CE1-CD 4.4Å; Y60-K92 HydrophobicContact CE1-CG 3.77Å; Y60-K92 HydrophobicContact CE2-CB 4.38Å; Y60-K92 HydrophobicContact CE2-CD 3.99Å; Y60-K92 HydrophobicContact CE2-CG 3.71Å; Y60-K92 VanDerWaalsContact CZ-CG 3.4Å; Y60-K92 VanDerWaalsContact OH-CD 3.24Å; Y60-K92 WeakPolarHBondContact OH-CD 3.39Å; Y60-A93 PolarHBondContact O-N 3.36Å
61	F	81.4	Confident	70.2	Confident	5 Å²	5	63.8 Å²	63.8	2%	0.022	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	155.1	175.8	75.1	-85.5	0	0	0	110.9	V45 L48 Y52 G53 I55 V66 L72 A93 V96	V45-F61 HydrophobicContact CG1-CE1 4.27Å; V45-F61 HydrophobicContact CG1-CZ 4.2Å; V45-F61 HydrophobicContact CG2-CE1 4.36Å; V45-F61 HydrophobicContact CG2-CZ 4.3Å; L48-F61 HydrophobicContact CD2-CZ 4.02Å; Y52-F61 CarbonylContact C-O 3.53Å; Y52-F61 WeakPolarHBondContact CA-O 3.46Å; Y52-F61 WeakPolarHBondContact CB-O 3.39Å; G53-F61 VanDerWaalsContact C-CD1 3.47Å; G53-F61 PolarHBondContact N-O 3.5Å; G53-F61 WeakPolarHBondContact O-CD1 3.29Å; G53-F61 PolarHBondContact O-N 3.14Å; I55-F61 HydrophobicContact CD1-CD1 3.69Å; I55-F61 HydrophobicContact CD1-CE1 4.03Å; I55-F61 HydrophobicContact CD1-CG 4.38Å; I55-F61 HydrophobicContact CG1-CD1 3.63Å; I55-F61 HydrophobicContact CG1-CE1 3.63Å; F61-V66 HydrophobicContact CD2-CG2 3.64Å; F61-V66 HydrophobicContact CE2-CG2 3.58Å; F61-L72 HydrophobicContact CE2-CD1 3.66Å; F61-L72 HydrophobicContact CZ-CD1 3.72Å; F61-A93 HydrophobicContact CB-CB 3.72Å; F61-V96 HydrophobicContact CB-CG2 3.77Å; F61-V96 HydrophobicContact CD2-CG2 4.22Å; F61-V96 HydrophobicContact CG-CG2 3.92Å
62	T	77.8	Confident	71.2	Confident	33 Å²	33	58.8 Å²	58.8	20%	0.202	36%	0.355	C	S	.	.			trans	-112.7	165	172.1	66.4	0	0	0	0	109.7	S64 E65	T62-S64 PolarHBondContact O-N 3.05Å; T62-S64 PolarHBondContact OG1-OG 3.11Å; T62-E65 WeakPolarHBondContact CA-OE2 3.48Å; T62-E65 WeakPolarHBondContact CB-OE2 3.23Å; T62-E65 PolarHBondContact N-OE2 3.25Å; T62-E65 PolarHBondContact O-N 2.89Å; T62-E65 PolarHBondContact OG1-OE1 3.37Å; T62-E65 PolarHBondContact OG1-OE2 3.21Å
63	S	72.1	Confident	71.4	Confident	100 Å²	100	60.8 Å²	60.8	70%	0.699	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-57.6	-25	-179	56.1	0	0	0	0	113.6	E65 V66	S63-E65 VanDerWaalsContact C-N 3.33Å; S63-E65 PolarHBondContact O-N 3.48Å; S63-V66 PolarHBondContact O-N 3.49Å
64	S	70.3	Confident	71.3	Confident	99 Å²	99	66.3 Å²	66.3	69%	0.692	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-70.5	-23.1	176.3	38.1	0	0	0	0	114.7	T62	T62-S64 PolarHBondContact O-N 3.05Å; T62-S64 PolarHBondContact OG1-OG 3.11Å
65	E	70.8	Confident	70.8	Confident	31 Å²	31	67.1 Å²	67.1	15%	0.145	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-90.9	-4.1	178.4	-64.4	113.8	179.5	0	0	112.7	T62 S63 K92 A93 R95 V96	T62-E65 WeakPolarHBondContact CA-OE2 3.48Å; T62-E65 WeakPolarHBondContact CB-OE2 3.23Å; T62-E65 PolarHBondContact N-OE2 3.25Å; T62-E65 PolarHBondContact O-N 2.89Å; T62-E65 PolarHBondContact OG1-OE1 3.37Å; T62-E65 PolarHBondContact OG1-OE2 3.21Å; S63-E65 VanDerWaalsContact C-N 3.33Å; S63-E65 PolarHBondContact O-N 3.48Å; E65-K92 WeakPolarHBondContact OE1-CE 3.45Å; E65-K92 IonicContact OE1-NZ 2.96Å; E65-K92 PolarHBondContact OE1-NZ 3.02Å; E65-K92 VanDerWaalsContact OE1-NZ 3.09Å; E65-A93 WeakPolarHBondContact CG-O 3.48Å; E65-R95 CarbonylContact O-C 3.44Å; E65-R95 WeakPolarHBondContact O-CA 3.42Å; E65-V96 PolarHBondContact O-N 2.84Å
66	V	67.9	Low	70.8	Confident	12 Å²	12	68.4 Å²	68.4	7%	0.073	42%	0.415	C	S	.	.	B	Isolated β-bridge	trans	-84.6	116.1	174.4	-172.7	0	0	0	0	110.3	F61 S63 G69 I70 L72 V96	F61-V66 HydrophobicContact CD2-CG2 3.64Å; F61-V66 HydrophobicContact CE2-CG2 3.58Å; S63-V66 PolarHBondContact O-N 3.49Å; V66-G69 PolarHBondContact O-N 2.96Å; V66-I70 WeakPolarHBondContact CG1-O 3.34Å; V66-L72 HydrophobicContact CB-CD1 4.42Å; V66-L72 HydrophobicContact CG1-CD1 3.84Å; V66-L72 HydrophobicContact CG1-CD2 4.31Å; V66-L72 HydrophobicContact CG1-CG 3.89Å; V66-L72 HydrophobicContact CG2-CD1 3.62Å; V66-L72 HydrophobicContact CG2-CG 4.25Å; V66-V96 WeakPolarHBondContact CA-O 3.31Å; V66-V96 HydrophobicContact CG2-CB 4.31Å
67	L	54.3	Low	70.9	Confident	61 Å²	61	69 Å²	69	32%	0.319	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-68	143.2	-176.9	-62.8	152.8	0	0	0	112.2	G69 R95 V96 E97	L67-G69 PolarHBondContact O-N 2.96Å; L67-R95 HydrophobicContact CD1-CG 3.51Å; L67-R95 HydrophobicContact CD2-CG 3.99Å; L67-R95 VanDerWaalsContact CD2-NE 3.27Å; L67-R95 HydrophobicContact CG-CG 3.74Å; L67-V96 PolarHBondContact N-O 3.33Å; L67-E97 HydrophobicContact CD1-CB 3.75Å; L67-E97 HydrophobicContact CD1-CG 4.03Å
68	G	52.6	Low	71.4	Confident	77 Å²	77	63.6 Å²	63.6	79%	0.794	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	75.5	5.3	177.1	0	0	0	0	0	113.9	I70	G68-I70 PolarHBondContact O-N 3.28Å
69	G	54.2	Low	71.7	Confident	72 Å²	72	63.1 Å²	63.1	74%	0.742	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	64.3	20.2	177.3	0	0	0	0	0	113.8	V66 L67	V66-G69 PolarHBondContact O-N 2.96Å; L67-G69 PolarHBondContact O-N 2.96Å
70	I	63.7	Low	71.7	Confident	95 Å²	95	62.9 Å²	62.9	49%	0.487	38%	0.375	S	S	.	.			trans	-76.1	129.3	-178.4	-58.6	172.5	0	0	0	108.6	V66 G68 L72 K98	V66-I70 WeakPolarHBondContact CG1-O 3.34Å; G68-I70 PolarHBondContact O-N 3.28Å; I70-L72 PolarHBondContact O-N 3.39Å; I70-K98 HydrophobicContact CG2-CD 4.42Å
71	Q	67.6	Low	71.5	Confident	176 Å²	176	61.9 Å²	61.9	82%	0.822	37%	0.374	S	S	*	.			trans	-75.5	114.4	178.1	-158.8	169.1	19.1	0	0	110.2
72	L	74.9	Confident	71.4	Confident	13 Å²	13	61.7 Å²	61.7	7%	0.068	37%	0.373	C	S	.	.			trans	-77.4	152.9	176.1	-61.1	176.4	0	0	0	111	V45 L48 F61 V66 I70 D76 V78 V96 K98	V45-L72 HydrophobicContact CG2-CB 4.35Å; V45-L72 HydrophobicContact CG2-CD1 4.09Å; L48-L72 WeakPolarHBondContact CD1-O 3.5Å; F61-L72 HydrophobicContact CE2-CD1 3.66Å; F61-L72 HydrophobicContact CZ-CD1 3.72Å; V66-L72 HydrophobicContact CB-CD1 4.42Å; V66-L72 HydrophobicContact CG1-CD1 3.84Å; V66-L72 HydrophobicContact CG1-CD2 4.31Å; V66-L72 HydrophobicContact CG1-CG 3.89Å; V66-L72 HydrophobicContact CG2-CD1 3.62Å; V66-L72 HydrophobicContact CG2-CG 4.25Å; I70-L72 PolarHBondContact O-N 3.39Å; L72-D76 WeakPolarHBondContact CA-OD2 3.11Å; L72-V78 HydrophobicContact CD1-CG1 4.04Å; L72-V78 HydrophobicContact CD2-CG1 3.94Å; L72-V96 HydrophobicContact CD1-CG1 3.74Å; L72-K98 HydrophobicContact CD2-CB 3.72Å; L72-K98 HydrophobicContact CD2-CD 3.92Å; L72-K98 HydrophobicContact CD2-CG 3.97Å
73	K	77.8	Confident	71.2	Confident	146 Å²	146	61.3 Å²	61.3	64%	0.635	37%	0.369	S	S	*	.			trans	-123.7	154.7	175.3	-62.4	-179	-176.8	178	0	110.4	L48 G75 D76	L48-K73 VanDerWaalsContact CD1-C 3.41Å; K73-G75 PolarHBondContact O-N 3.41Å; K73-D76 PolarHBondContact N-OD2 3.37Å; K73-D76 VanDerWaalsContact O-CB 3.27Å; K73-D76 WeakPolarHBondContact O-CB 3.14Å; K73-D76 PolarHBondContact O-N 2.88Å
74	E	78.3	Confident	71.2	Confident	117 Å²	117	62.8 Å²	62.8	55%	0.547	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	128.3	174.1	-66.6	-178.7	169.9	0	0	108.9	V45 Q47 L48	V45-E74 CarbonylContact O-C 3.52Å; V45-E74 WeakPolarHBondContact O-CA 3.37Å; Q47-E74 WeakPolarHBondContact CA-OE1 3.45Å; L48-E74 HydrophobicContact CB-CG 4.06Å; L48-E74 HydrophobicContact CD1-CG 4.13Å; L48-E74 HydrophobicContact CG-CG 4.29Å; L48-E74 PolarHBondContact N-OE1 2.93Å
75	G	64.8	Low	70.8	Confident	53 Å²	53	60.5 Å²	60.5	55%	0.546	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.9	-8.6	-172.7	0	0	0	0	0	115.3	V45 K73 Q77	V45-G75 PolarHBondContact O-N 2.76Å; K73-G75 PolarHBondContact O-N 3.41Å; G75-Q77 PolarHBondContact O-N 2.8Å
76	D	78	Confident	69.9	Low	27 Å²	27	63 Å²	63	14%	0.144	37%	0.374	C	S	.	.			trans	-67.2	131.4	175.6	-78.8	-23.1	0	0	0	110.9	V45 L72 K73 K98	V45-D76 HydrophobicContact CG2-CB 4.36Å; V45-D76 PolarHBondContact N-O 3.28Å; L72-D76 WeakPolarHBondContact CA-OD2 3.11Å; K73-D76 PolarHBondContact N-OD2 3.37Å; K73-D76 VanDerWaalsContact O-CB 3.27Å; K73-D76 WeakPolarHBondContact O-CB 3.14Å; K73-D76 PolarHBondContact O-N 2.88Å; D76-K98 WeakPolarHBondContact OD1-CE 3.39Å; D76-K98 IonicContact OD1-NZ 2.62Å; D76-K98 PolarHBondContact OD1-NZ 3.48Å; D76-K98 WeakPolarHBondContact OD2-CE 3.46Å; D76-K98 IonicContact OD2-NZ 3.17Å; D76-K98 PolarHBondContact OD2-NZ 3.37Å
77	Q	79.1	Confident	69.2	Low	86 Å²	86	66.7 Å²	66.7	40%	0.402	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	135.6	169	-73.5	-174.1	9.5	0	0	110.6	S43 V44 G75 S99	S43-Q77 CarbonylContact O-C 3.6Å; S43-Q77 WeakPolarHBondContact O-CA 3.37Å; V44-Q77 HydrophobicContact CG2-CG 4.1Å; G75-Q77 PolarHBondContact O-N 2.8Å; Q77-S99 WeakPolarHBondContact CB-OG 3.23Å; Q77-S99 PolarHBondContact O-N 2.92Å; Q77-S99 PolarHBondContact O-OG 3.44Å
78	V	81.4	Confident	69.1	Low	0 Å²	0	71.8 Å²	71.8	0%	0	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	148.5	-175.4	-59.8	0	0	0	0	111	G42 S43 V45 I55 L72 V96 E97	G42-V78 PolarHBondContact N-O 3.19Å; S43-V78 PolarHBondContact N-O 2.91Å; S43-V78 WeakPolarHBondContact O-CG2 3.42Å; S43-V78 PolarHBondContact O-N 3.32Å; V45-V78 HydrophobicContact CG2-CG1 3.63Å; V45-V78 HydrophobicContact CG2-CG2 4.06Å; I55-V78 HydrophobicContact CD1-CG2 3.72Å; I55-V78 HydrophobicContact CG1-CG2 3.93Å; I55-V78 HydrophobicContact CG2-CG2 3.94Å; L72-V78 HydrophobicContact CD1-CG1 4.04Å; L72-V78 HydrophobicContact CD2-CG1 3.94Å; V78-V96 HydrophobicContact CB-CG1 3.84Å; V78-V96 HydrophobicContact CG1-CG1 4.01Å; V78-V96 HydrophobicContact CG2-CG1 4.04Å; V78-E97 CarbonylContact C-O 3.45Å; V78-E97 WeakPolarHBondContact CA-O 3.11Å; V78-E97 WeakPolarHBondContact CB-O 3.5Å
79	N	79	Confident	69.2	Low	48 Å²	48	77 Å²	77	26%	0.257	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	125.9	166.6	-60.4	-38.1	0	0	0	107.7	L40 R41 G42 E97	L40-N79 CarbonylContact O-C 3.59Å; L40-N79 WeakPolarHBondContact O-CA 3.44Å; R41-N79 WeakPolarHBondContact CA-OD1 3.43Å; R41-N79 WeakPolarHBondContact CB-OD1 3.5Å; R41-N79 HydrophobicContact CG-CB 4.43Å; G42-N79 PolarHBondContact N-OD1 3.18Å; N79-E97 PolarHBondContact N-O 3.29Å; N79-E97 PolarHBondContact O-N 2.9Å
80	C	79.3	Confident	69.6	Low	4 Å²	4	74.9 Å²	74.9	3%	0.027	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	149.5	-177.6	72.3	0	0	0	0	113.7	L40 I55 R95 V96	L40-C80 PolarHBondContact N-O 3.27Å; L40-C80 PolarHBondContact O-N 3.05Å; I55-C80 HydrophobicContact CD1-CB 3.93Å; C80-R95 CarbonylContact C-O 3.54Å; C80-R95 WeakPolarHBondContact CA-O 3.35Å; C80-R95 WeakPolarHBondContact CB-O 3.43Å; C80-V96 HydrophobicContact CB-CG2 4.1Å
81	I	76.1	Confident	70	Confident	45 Å²	45	71.7 Å²	71.7	23%	0.231	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	121.6	171.1	-50.8	178.5	0	0	0	107	I37 R38 H39 A93 L94 R95	I37-I81 HydrophobicContact CG2-CG2 3.38Å; R38-I81 CarbonylContact O-C 3.57Å; R38-I81 WeakPolarHBondContact O-CA 3.09Å; H39-I81 VanDerWaalsContact CE1-CD1 3.48Å; H39-I81 WeakPolarHBondContact CE1-CD1 3.48Å; H39-I81 WeakPolarHBondContact ND1-CG1 3.43Å; I81-A93 CarbonylContact O-C 3.47Å; I81-A93 WeakPolarHBondContact O-CA 3.48Å; I81-L94 PolarHBondContact O-N 3.3Å; I81-R95 HydrophobicContact CB-CB 4.48Å; I81-R95 PolarHBondContact N-O 2.7Å; I81-R95 PolarHBondContact O-N 2.79Å
82	A	80.2	Confident	70.6	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.1	-175.1	0	0	0	0	0	112.1	R38 I59 W91 K92	R38-A82 PolarHBondContact N-O 3.24Å; R38-A82 PolarHBondContact O-N 2.91Å; I59-A82 HydrophobicContact CD1-CB 4.17Å; I59-A82 HydrophobicContact CG2-CB 3.8Å; A82-W91 HydrophobicContact CB-CB 4.47Å; A82-W91 HydrophobicContact CB-CE3 4.08Å; A82-K92 CarbonylContact C-O 3.49Å; A82-K92 WeakPolarHBondContact CA-O 3.47Å
83	I	73.4	Confident	70.7	Confident	25 Å²	25	65.6 Å²	65.6	13%	0.128	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	155.3	174.4	63.2	172	0	0	0	109.9	I37 D85 K92 L94	I37-I83 HydrophobicContact CB-CG2 4.25Å; I37-I83 HydrophobicContact CD1-CG2 4.38Å; I37-I83 HydrophobicContact CG1-CG2 3.81Å; I37-I83 HydrophobicContact CG2-CG2 4.14Å; I83-D85 PolarHBondContact O-N 2.84Å; I83-K92 PolarHBondContact N-O 2.86Å; I83-K92 PolarHBondContact O-N 3.4Å; I83-L94 HydrophobicContact CB-CD1 4.45Å; I83-L94 HydrophobicContact CD1-CD1 4.08Å; I83-L94 HydrophobicContact CD1-CD2 3.84Å; I83-L94 HydrophobicContact CD1-CG 3.97Å; I83-L94 HydrophobicContact CG1-CD1 4.25Å; I83-L94 HydrophobicContact CG1-CD2 4.32Å; I83-L94 HydrophobicContact CG1-CG 3.98Å; I83-L94 HydrophobicContact CG2-CD1 3.44Å; I83-L94 VanDerWaalsContact CG2-CD1 3.44Å; I83-L94 HydrophobicContact CG2-CG 4.03Å
84	R	71.1	Confident	70.5	Confident	132 Å²	132	63 Å²	63	50%	0.498	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	121.7	178.6	-169	175.4	-79.9	-144.7	-3.6	110	W91	R84-W91 HydrophobicContact CB-CZ3 4.44Å
85	D	62.3	Low	70.3	Confident	50 Å²	50	63 Å²	63	27%	0.267	35%	0.346	S	S	.	.			trans	-79.6	125.9	-179.4	-163.1	-15.4	0	0	0	110.5	Y60 I83 A87 K89 G90 K92	Y60-D85 HydrophobicContact CE1-CB 4.48Å; Y60-D85 PolarHBondContact OH-OD2 2.63Å; I83-D85 PolarHBondContact O-N 2.84Å; D85-A87 VanDerWaalsContact C-N 3.29Å; D85-A87 PolarHBondContact O-N 3.03Å; D85-K89 PolarHBondContact O-N 3.21Å; D85-G90 PolarHBondContact N-O 3.44Å; D85-K92 HydrophobicContact CB-CB 4.41Å
86	G	51.8	Low	70.6	Confident	84 Å²	84	60.5 Å²	60.5	87%	0.866	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-17.8	-169	0	0	0	0	0	114.9
87	A	53	Low	70.5	Confident	90 Å²	90	63.6 Å²	63.6	74%	0.744	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-28.6	-176	0	0	0	0	0	114.2	D85	D85-A87 VanDerWaalsContact C-N 3.29Å; D85-A87 PolarHBondContact O-N 3.03Å
88	E	53	Low	70.3	Confident	168 Å²	168	63.2 Å²	63.2	79%	0.785	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.6	6.1	-170.4	-64.4	-164	162.3	0	0	115.6	G90	E88-G90 PolarHBondContact O-N 3.22Å
89	K	54.2	Low	69.3	Low	186 Å²	186	64.5 Å²	64.5	81%	0.809	34%	0.34	S	S	*	.	S	Bend	trans	56.7	14.7	-175.9	-65.5	-175.5	176.8	178.5	0	114.8	D85	D85-K89 PolarHBondContact O-N 3.21Å
90	G	62	Low	67.9	Low	27 Å²	27	66.5 Å²	66.5	28%	0.278	36%	0.364	S	S	.	.			trans	-91.6	168.6	174	0	0	0	0	0	113.3	D85 E88	D85-G90 PolarHBondContact N-O 3.44Å; E88-G90 PolarHBondContact O-N 3.22Å
91	W	73.2	Confident	66	Low	29 Å²	29	73.2 Å²	73.2	11%	0.11	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.7	174.2	-70.7	89.7	0	0	0	110.2	D36 R38 I59 Y60 A82 R84	D36-W91 HydrophobicContact CB-CH2 4.41Å; D36-W91 WeakPolarHBondContact O-CZ3 3.25Å; R38-W91 HydrophobicContact CB-CE3 4.48Å; R38-W91 HydrophobicContact CB-CH2 4.34Å; R38-W91 HydrophobicContact CB-CZ3 3.92Å; R38-W91 HydrophobicContact CG-CE3 4.5Å; R38-W91 HydrophobicContact CG-CH2 3.55Å; R38-W91 HydrophobicContact CG-CZ2 4.32Å; R38-W91 HydrophobicContact CG-CZ3 3.64Å; R38-W91 VanDerWaalsContact NE-CH2 3.27Å; R38-W91 VanDerWaalsContact NE-CZ2 3.26Å; I59-W91 WeakPolarHBondContact CA-O 3.43Å; I59-W91 HydrophobicContact CB-CB 4.35Å; I59-W91 HydrophobicContact CG1-CB 3.8Å; I59-W91 HydrophobicContact CG2-CB 4.37Å; Y60-W91 VanDerWaalsContact CD1-O 3.27Å; Y60-W91 WeakPolarHBondContact CD1-O 3.38Å; Y60-W91 PolarHBondContact N-O 2.95Å; A82-W91 HydrophobicContact CB-CB 4.47Å; A82-W91 HydrophobicContact CB-CE3 4.08Å; R84-W91 HydrophobicContact CB-CZ3 4.44Å
92	K	79.1	Confident	64	Low	61 Å²	61	74.5 Å²	74.5	27%	0.265	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131.1	173.3	-172	-176.4	-169.8	-178.5	0	110.1	Y60 E65 A82 I83 D85	Y60-K92 HydrophobicContact CD1-CB 4.12Å; Y60-K92 HydrophobicContact CD1-CG 4.38Å; Y60-K92 HydrophobicContact CD2-CG 4.33Å; Y60-K92 HydrophobicContact CE1-CB 3.49Å; Y60-K92 VanDerWaalsContact CE1-CB 3.49Å; Y60-K92 HydrophobicContact CE1-CD 4.4Å; Y60-K92 HydrophobicContact CE1-CG 3.77Å; Y60-K92 HydrophobicContact CE2-CB 4.38Å; Y60-K92 HydrophobicContact CE2-CD 3.99Å; Y60-K92 HydrophobicContact CE2-CG 3.71Å; Y60-K92 VanDerWaalsContact CZ-CG 3.4Å; Y60-K92 VanDerWaalsContact OH-CD 3.24Å; Y60-K92 WeakPolarHBondContact OH-CD 3.39Å; E65-K92 WeakPolarHBondContact OE1-CE 3.45Å; E65-K92 IonicContact OE1-NZ 2.96Å; E65-K92 PolarHBondContact OE1-NZ 3.02Å; E65-K92 VanDerWaalsContact OE1-NZ 3.09Å; A82-K92 CarbonylContact C-O 3.49Å; A82-K92 WeakPolarHBondContact CA-O 3.47Å; I83-K92 PolarHBondContact N-O 2.86Å; I83-K92 PolarHBondContact O-N 3.4Å; D85-K92 HydrophobicContact CB-CB 4.41Å
93	A	77.8	Confident	61.6	Low	0 Å²	0	83.8 Å²	83.8	0%	0	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	126.9	170.4	0	0	0	0	0	110.8	I59 Y60 F61 E65 I81 V96	I59-A93 HydrophobicContact CG2-CB 3.96Å; Y60-A93 PolarHBondContact O-N 3.36Å; F61-A93 HydrophobicContact CB-CB 3.72Å; E65-A93 WeakPolarHBondContact CG-O 3.48Å; I81-A93 CarbonylContact O-C 3.47Å; I81-A93 WeakPolarHBondContact O-CA 3.48Å; A93-V96 HydrophobicContact CB-CG2 3.53Å
94	L	73.7	Confident	59.6	Low	91 Å²	91	92 Å²	92	48%	0.476	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-28.9	166.9	-76.8	175.3	0	0	0	111.7	I81 I83	I81-L94 PolarHBondContact O-N 3.3Å; I83-L94 HydrophobicContact CB-CD1 4.45Å; I83-L94 HydrophobicContact CD1-CD1 4.08Å; I83-L94 HydrophobicContact CD1-CD2 3.84Å; I83-L94 HydrophobicContact CD1-CG 3.97Å; I83-L94 HydrophobicContact CG1-CD1 4.25Å; I83-L94 HydrophobicContact CG1-CD2 4.32Å; I83-L94 HydrophobicContact CG1-CG 3.98Å; I83-L94 HydrophobicContact CG2-CD1 3.44Å; I83-L94 VanDerWaalsContact CG2-CD1 3.44Å; I83-L94 HydrophobicContact CG2-CG 4.03Å
95	R	73.6	Confident	57.7	Low	117 Å²	117	92.9 Å²	92.9	44%	0.442	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	128.2	-172	-174	171.5	-177.8	-154.2	-14.7	109.7	E65 L67 C80 I81	E65-R95 CarbonylContact O-C 3.44Å; E65-R95 WeakPolarHBondContact O-CA 3.42Å; L67-R95 HydrophobicContact CD1-CG 3.51Å; L67-R95 HydrophobicContact CD2-CG 3.99Å; L67-R95 VanDerWaalsContact CD2-NE 3.27Å; L67-R95 HydrophobicContact CG-CG 3.74Å; C80-R95 CarbonylContact C-O 3.54Å; C80-R95 WeakPolarHBondContact CA-O 3.35Å; C80-R95 WeakPolarHBondContact CB-O 3.43Å; I81-R95 HydrophobicContact CB-CB 4.48Å; I81-R95 PolarHBondContact N-O 2.7Å; I81-R95 PolarHBondContact O-N 2.79Å
96	V	70.8	Confident	56.3	Low	0 Å²	0	92.5 Å²	92.5	0%	0	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.9	177.4	-174.1	0	0	0	0	109.2	I55 F61 E65 V66 L67 L72 V78 C80 A93	I55-V96 HydrophobicContact CD1-CB 4.46Å; I55-V96 HydrophobicContact CD1-CG1 3.78Å; I55-V96 HydrophobicContact CD1-CG2 3.77Å; F61-V96 HydrophobicContact CB-CG2 3.77Å; F61-V96 HydrophobicContact CD2-CG2 4.22Å; F61-V96 HydrophobicContact CG-CG2 3.92Å; E65-V96 PolarHBondContact O-N 2.84Å; V66-V96 WeakPolarHBondContact CA-O 3.31Å; V66-V96 HydrophobicContact CG2-CB 4.31Å; L67-V96 PolarHBondContact N-O 3.33Å; L72-V96 HydrophobicContact CD1-CG1 3.74Å; V78-V96 HydrophobicContact CB-CG1 3.84Å; V78-V96 HydrophobicContact CG1-CG1 4.01Å; V78-V96 HydrophobicContact CG2-CG1 4.04Å; C80-V96 HydrophobicContact CB-CG2 4.1Å; A93-V96 HydrophobicContact CB-CG2 3.53Å
97	E	77.3	Confident	55.4	Low	92 Å²	92	91.7 Å²	91.7	43%	0.43	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.7	-178.9	-168.7	170.5	-149.9	0	0	109.7	L67 V78 N79 S99	L67-E97 HydrophobicContact CD1-CB 3.75Å; L67-E97 HydrophobicContact CD1-CG 4.03Å; V78-E97 CarbonylContact C-O 3.45Å; V78-E97 WeakPolarHBondContact CA-O 3.11Å; V78-E97 WeakPolarHBondContact CB-O 3.5Å; N79-E97 PolarHBondContact N-O 3.29Å; N79-E97 PolarHBondContact O-N 2.9Å; E97-S99 PolarHBondContact O-N 2.95Å
98	K	75.1	Confident	54.5	Low	78 Å²	78	99.4 Å²	99.4	34%	0.339	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	122	175	-168.3	171	177.5	157.9	0	109.9	I70 L72 D76 A100	I70-K98 HydrophobicContact CG2-CD 4.42Å; L72-K98 HydrophobicContact CD2-CB 3.72Å; L72-K98 HydrophobicContact CD2-CD 3.92Å; L72-K98 HydrophobicContact CD2-CG 3.97Å; D76-K98 WeakPolarHBondContact OD1-CE 3.39Å; D76-K98 IonicContact OD1-NZ 2.62Å; D76-K98 PolarHBondContact OD1-NZ 3.48Å; D76-K98 WeakPolarHBondContact OD2-CE 3.46Å; D76-K98 IonicContact OD2-NZ 3.17Å; D76-K98 PolarHBondContact OD2-NZ 3.37Å; K98-A100 PolarHBondContact O-N 2.98Å
99	S	60.2	Low	53.5	Low	27 Å²	27	97.1 Å²	97.1	19%	0.189	51%	0.511	C	S	.	.			trans	-74.7	117.4	172.2	54.9	0	0	0	0	108.3	Q77 E97 D101	Q77-S99 WeakPolarHBondContact CB-OG 3.23Å; Q77-S99 PolarHBondContact O-N 2.92Å; Q77-S99 PolarHBondContact O-OG 3.44Å; E97-S99 PolarHBondContact O-N 2.95Å; S99-D101 PolarHBondContact O-N 2.91Å
100	A	49.7	Very low	52.7	Low	91 Å²	91	92.6 Å²	92.6	75%	0.752	50%	0.503	S	S	*	.			trans	-72.6	110.8	175.8	0	0	0	0	0	109.4	K98 A102	K98-A100 PolarHBondContact O-N 2.98Å; A100-A102 VanDerWaalsContact C-N 3.34Å; A100-A102 PolarHBondContact O-N 3.29Å
101	D	38.6	Very low	51.6	Low	145 Å²	145	99.9 Å²	99.9	78%	0.775	54%	0.535	S	S	*	.			trans	-64.3	101	160.3	-80.3	-30.7	0	0	0	107.5	S99	S99-D101 PolarHBondContact O-N 2.91Å
102	A	34.4	Very low	50.1	Low	71 Å²	71	106.5 Å²	106.5	59%	0.587	57%	0.567	S	S	*	*			trans	-99.3	116.8	173.7	0	0	0	0	0	107.4	A100	A100-A102 VanDerWaalsContact C-N 3.34Å; A100-A102 PolarHBondContact O-N 3.29Å
103	W	30.6	Very low	48.5	Very low	196 Å²	196	107.2 Å²	107.2	74%	0.742	58%	0.584	S	S	*	*			trans	100.3	85.2	152.7	-52.6	89.4	0	0	0	119.3
104	E	30.3	Very low	46.9	Very low	198 Å²	198	111.6 Å²	111.6	93%	0.925	61%	0.607	S	S	*	*	S	Bend		-125.6	133	120.6	-78.1	-169.1	170.8	0	0	105.4
105	D	30.4	Very low	45.6	Very low	149 Å²	149	108.7 Å²	108.7	80%	0.797	60%	0.595	S	S	*	*			cis	-162.3	128.2	-6.4	-154.6	11.7	0	0	0	101.5
106	G	32.8	Very low	44.6	Very low	42 Å²	42	110 Å²	110	43%	0.433	61%	0.608	S	S	.	*				75.8	48	55.4	0	0	0	0	0	111.5	R108	G106-R108 PolarHBondContact O-N 3.49Å
107	G	33.4	Very low	44.1	Very low	68 Å²	68	115.6 Å²	115.6	70%	0.701	63%	0.634	S	S	*	*			trans	-54.1	122.6	157	0	0	0	0	0	108.7	T109	G107-T109 PolarHBondContact O-N 2.93Å
108	R	34.5	Very low	43.7	Very low	251 Å²	251	114.6 Å²	114.6	95%	0.947	63%	0.631	S	S	*	*	S	Bend	trans	-53.7	99.5	176.7	-81.2	-178.2	169.9	179.7	-1.8	110.7	G106	G106-R108 PolarHBondContact O-N 3.49Å
109	T	32.6	Very low	43.4	Very low	121 Å²	121	116.4 Å²	116.4	74%	0.742	64%	0.636	S	S	*	*			trans	-150	101.4	152.5	40.6	0	0	0	0	109.5	G107	G107-T109 PolarHBondContact O-N 2.93Å
110	S	35.9	Very low	44.1	Very low	90 Å²	90	119.8 Å²	119.8	63%	0.629	66%	0.657	S	S	*	*			trans	42	114.1	151.2	56.6	0	0	0	0	119.7	E112 A113	S110-E112 PolarHBondContact O-N 3.1Å; S110-A113 PolarHBondContact O-N 3.03Å
111	L	39	Very low	45.4	Very low	181 Å²	181	117.1 Å²	117.1	95%	0.948	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.9	10.6	170.3	-90.6	138.7	0	0	0	117.7
112	E	43	Very low	47.3	Very low	167 Å²	167	114.6 Å²	114.6	78%	0.78	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	-18.9	176.4	-69.5	-176.5	162.4	0	0	113.1	S110 S115	S110-E112 PolarHBondContact O-N 3.1Å; E112-S115 PolarHBondContact O-OG 3.16Å
113	A	44.6	Very low	49.5	Very low	76 Å²	76	111.2 Å²	111.2	63%	0.628	59%	0.588	S	S	*	*	S	Bend	trans	-82.8	-25.4	-174.6	0	0	0	0	0	114.4	S110	S110-A113 PolarHBondContact O-N 3.03Å
114	D	45.1	Very low	52.2	Low	92 Å²	92	103.2 Å²	103.2	49%	0.492	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-81.9	-15.7	-173.3	-130.8	8.9	0	0	0	113.3	M116	D114-M116 VanDerWaalsContact C-N 3.35Å; D114-M116 PolarHBondContact O-N 2.85Å
115	S	46.9	Very low	54.9	Low	31 Å²	31	93.9 Å²	93.9	22%	0.217	52%	0.517	C	S	.	.	G	3₁₀ helix	trans	-80.1	-7.4	179.9	51	0	0	0	0	115.3	E112 I164	E112-S115 PolarHBondContact O-OG 3.16Å; S115-I164 VanDerWaalsContact O-O 3.04Å
116	M	52	Low	57.5	Low	143 Å²	143	88 Å²	88	70%	0.704	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-114.1	9.5	-180	-74.3	-153.4	170	0	0	114.6	D114 L118	D114-M116 VanDerWaalsContact C-N 3.35Å; D114-M116 PolarHBondContact O-N 2.85Å; M116-L118 PolarHBondContact O-N 3.45Å
117	Q	60.8	Low	59.9	Low	118 Å²	118	88.6 Å²	88.6	55%	0.551	48%	0.484	S	S	*	.			trans	-73.4	119.4	179.6	-159.3	-178.6	33.3	0	0	111.5
118	L	67.1	Low	62.3	Low	72 Å²	72	87.7 Å²	87.7	38%	0.377	46%	0.461	S	S	.	.			trans	-75.1	122.4	-178.7	-67	175.4	0	0	0	112	M116 K161 F162 Y163 H174	M116-L118 PolarHBondContact O-N 3.45Å; L118-K161 HydrophobicContact CB-CB 4.44Å; L118-F162 CarbonylContact C-O 3.53Å; L118-F162 WeakPolarHBondContact CA-O 3.36Å; L118-Y163 HydrophobicContact CD2-CD1 3.97Å; L118-H174 HydrophobicContact CD1-CB 4.34Å; L118-H174 VanDerWaalsContact CD1-CD2 3.47Å; L118-H174 WeakPolarHBondContact CD1-CD2 3.37Å; L118-H174 HydrophobicContact CD2-CB 3.28Å; L118-H174 HydrophobicContact CG-CB 4.45Å
119	R	70.3	Confident	64.4	Low	115 Å²	115	81.4 Å²	81.4	43%	0.434	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137	-178.6	-60.2	-179.3	-174.8	-172.7	0.3	111.2	K161 F162	R119-K161 CarbonylContact O-C 3.58Å; R119-K161 VanDerWaalsContact O-CA 3.23Å; R119-K161 WeakPolarHBondContact O-CA 3.43Å; R119-F162 HydrophobicContact CB-CD1 4.23Å; R119-F162 HydrophobicContact CB-CE1 3.78Å; R119-F162 HydrophobicContact CB-CZ 3.96Å; R119-F162 PolarHBondContact N-O 2.75Å; R119-F162 WeakPolarHBondContact O-CD1 3.2Å; R119-F162 PolarHBondContact O-N 3.43Å
120	P	73.9	Confident	66.5	Low	99 Å²	99	76.9 Å²	76.9	64%	0.643	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	144.1	176.8	30.4	-33.6	0	0	0	112	A160	P120-A160 CarbonylContact C-O 3.43Å; P120-A160 WeakPolarHBondContact CA-O 3.42Å
121	L	76.6	Confident	68.4	Low	34 Å²	34	77.9 Å²	77.9	18%	0.178	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	130	178.9	173.3	68	0	0	0	108.5	I135 T139 Q159 A160 F162	L121-I135 HydrophobicContact CD2-CB 4.22Å; L121-I135 HydrophobicContact CD2-CD1 4.44Å; L121-I135 HydrophobicContact CD2-CG2 3.81Å; L121-I135 HydrophobicContact CG-CG2 4.35Å; L121-T139 HydrophobicContact CD2-CG2 3.81Å; L121-T139 WeakPolarHBondContact CD2-OG1 3.44Å; L121-Q159 CarbonylContact O-C 3.57Å; L121-Q159 WeakPolarHBondContact O-CA 3.39Å; L121-A160 HydrophobicContact CB-CB 4.46Å; L121-A160 PolarHBondContact N-O 3.17Å; L121-A160 PolarHBondContact O-N 2.91Å; L121-F162 HydrophobicContact CB-CD1 3.65Å; L121-F162 HydrophobicContact CB-CE1 3.81Å; L121-F162 HydrophobicContact CD2-CD1 4.25Å
122	I	80.3	Confident	70.4	Confident	92 Å²	92	70.1 Å²	70.1	47%	0.472	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	133.1	164.6	-64.4	169.4	0	0	0	107	N136 I158 Q159 L179	I122-N136 PolarHBondContact O-ND2 3.38Å; I122-I158 WeakPolarHBondContact CA-O 3.44Å; I122-Q159 HydrophobicContact CG1-CB 4.32Å; I122-Q159 HydrophobicContact CG1-CG 4.06Å; I122-L179 HydrophobicContact CD1-CD1 3.91Å; I122-L179 HydrophobicContact CG1-CD1 4.06Å; I122-L179 HydrophobicContact CG2-CD1 3.82Å; I122-L179 HydrophobicContact CG2-CD2 3.89Å; I122-L179 HydrophobicContact CG2-CG 4.44Å
123	G	79.2	Confident	72.4	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.01	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	-179.6	-177.8	0	0	0	0	0	113	N136 I158	G123-N136 WeakPolarHBondContact CA-ND2 3.35Å; G123-N136 WeakPolarHBondContact CA-OD1 3.43Å; G123-I158 PolarHBondContact N-O 3Å; G123-I158 PolarHBondContact O-N 3.19Å; G123-I158 VanDerWaalsContact O-O 3.11Å
124	T	87.9	Confident	74.3	Confident	28 Å²	28	63.4 Å²	63.4	17%	0.172	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	141.6	174.8	53.2	0	0	0	0	109.7	T126 I135 N136 D156 W157	T124-T126 PolarHBondContact O-N 3.36Å; T124-I135 CarbonylContact O-C 3.53Å; T124-I135 WeakPolarHBondContact O-CA 3.43Å; T124-N136 PolarHBondContact N-OD1 3.07Å; T124-N136 PolarHBondContact O-N 3.07Å; T124-N136 PolarHBondContact OG1-OD1 3.14Å; T124-D156 CarbonylContact C-O 3.54Å; T124-D156 WeakPolarHBondContact CA-O 3.47Å; T124-W157 HydrophobicContact CG2-CD2 3.52Å; T124-W157 VanDerWaalsContact CG2-CE2 3.46Å; T124-W157 HydrophobicContact CG2-CE3 3.76Å; T124-W157 HydrophobicContact CG2-CG 4.11Å; T124-W157 HydrophobicContact CG2-CH2 3.92Å; T124-W157 HydrophobicContact CG2-CZ2 3.68Å; T124-W157 HydrophobicContact CG2-CZ3 3.95Å
125	V	87.5	Confident	76.2	Confident	1 Å²	1	59 Å²	59	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	118.3	169.7	179	0	0	0	0	107.7	F128 F141 P152 M153 K154 G155 D156 I158	V125-F128 HydrophobicContact CG1-CB 4.25Å; V125-F141 HydrophobicContact CG1-CE1 4.3Å; V125-F141 HydrophobicContact CG1-CZ 4.1Å; V125-P152 HydrophobicContact CG1-CB 4.26Å; V125-P152 HydrophobicContact CG2-CB 3.86Å; V125-M153 WeakPolarHBondContact CB-O 3.27Å; V125-K154 CarbonylContact O-C 3.59Å; V125-K154 VanDerWaalsContact O-CA 3.31Å; V125-K154 WeakPolarHBondContact O-CA 3.33Å; V125-G155 PolarHBondContact O-N 3.05Å; V125-D156 HydrophobicContact CG2-CB 4.21Å; V125-D156 PolarHBondContact N-O 3.33Å; V125-I158 HydrophobicContact CG2-CB 4.48Å; V125-I158 HydrophobicContact CG2-CG1 3.85Å; V125-I158 HydrophobicContact CG2-CG2 3.74Å
126	T	84.4	Confident	78	Confident	27 Å²	27	60.5 Å²	60.5	17%	0.166	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-25.1	-176.1	51.6	0	0	0	0	113	T124 Y134 Q137 K154	T124-T126 PolarHBondContact O-N 3.36Å; T126-Y134 PolarHBondContact N-O 3.04Å; T126-Y134 PolarHBondContact OG1-O 3.06Å; T126-Q137 HydrophobicContact CG2-CG 3.79Å; T126-Q137 WeakPolarHBondContact OG1-CA 2.92Å; T126-Q137 PolarHBondContact OG1-N 3.39Å; T126-K154 WeakPolarHBondContact O-CD 3.36Å; T126-K154 WeakPolarHBondContact O-CE 3.46Å; T126-K154 WeakPolarHBondContact O-CG 3.36Å
127	S	82.1	Confident	79.2	Confident	53 Å²	53	61.2 Å²	61.2	37%	0.371	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	147.6	170.1	61.3	0	0	0	0	110	G133 Y134	S127-G133 CarbonylContact O-C 3.57Å; S127-G133 WeakPolarHBondContact O-CA 3.49Å; S127-Y134 PolarHBondContact N-O 3.45Å; S127-Y134 PolarHBondContact O-N 2.94Å; S127-Y134 WeakPolarHBondContact OG-CD2 3.21Å
128	F	85.5	Confident	79.9	Confident	50 Å²	50	60.2 Å²	60.2	22%	0.219	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	126.7	170.1	-178.8	-117	0	0	0	107.8	V125 G130 S132 F141 L146 P152	V125-F128 HydrophobicContact CG1-CB 4.25Å; F128-G130 VanDerWaalsContact CZ-C 3.44Å; F128-G130 VanDerWaalsContact CZ-O 3.28Å; F128-G130 WeakPolarHBondContact CZ-O 3.33Å; F128-S132 WeakPolarHBondContact CA-O 3.28Å; F128-S132 VanDerWaalsContact CD2-O 3.24Å; F128-S132 WeakPolarHBondContact CD2-O 3.36Å; F128-F141 HydrophobicContact CB-CZ 4.44Å; F128-F141 AromaticContact CD2-CE2 3.59Å; F128-F141 HydrophobicContact CD2-CE2 3.59Å; F128-F141 AromaticContact CD2-CZ 3.83Å; F128-F141 HydrophobicContact CD2-CZ 3.83Å; F128-F141 AromaticContact CE2-CE2 3.91Å; F128-F141 HydrophobicContact CE2-CE2 3.91Å; F128-F141 HydrophobicContact CG-CZ 4.46Å; F128-L146 HydrophobicContact CE2-CD1 4.2Å; F128-L146 HydrophobicContact CZ-CD1 4.1Å; F128-P152 WeakPolarHBondContact CD1-O 3.14Å
129	D	78.3	Confident	80.6	Confident	119 Å²	119	57 Å²	57	64%	0.636	30%	0.304	S	S	*	.			trans	-104.2	4.2	-176.9	63.8	11.4	0	0	0	113.5	D131 S132	D129-D131 PolarHBondContact OD1-N 3.09Å; D129-D131 VanDerWaalsContact OD1-N 3.13Å; D129-S132 PolarHBondContact N-O 2.88Å; D129-S132 PolarHBondContact OD1-N 3.17Å; D129-S132 PolarHBondContact OD1-OG 3.13Å; D129-S132 PolarHBondContact OD2-OG 2.86Å
130	G	75.6	Confident	81.2	Confident	25 Å²	25	54.7 Å²	54.7	26%	0.258	30%	0.296	S	S	.	.	S	Bend	trans	106.9	-29.3	-178.7	0	0	0	0	0	113.6	F128 R143	F128-G130 VanDerWaalsContact CZ-C 3.44Å; F128-G130 VanDerWaalsContact CZ-O 3.28Å; F128-G130 WeakPolarHBondContact CZ-O 3.33Å; G130-R143 PolarHBondContact O-NH1 3.07Å
131	D	76.1	Confident	81.8	Confident	111 Å²	111	50 Å²	50	59%	0.594	27%	0.266	S	S	*	.	S	Bend	trans	-117.7	-24.5	179	-76.9	-22.2	0	0	0	112.5	D129 T142 R143	D129-D131 PolarHBondContact OD1-N 3.09Å; D129-D131 VanDerWaalsContact OD1-N 3.13Å; D131-T142 CarbonylContact O-C 3.59Å; D131-R143 WeakPolarHBondContact O-CB 3.33Å; D131-R143 PolarHBondContact O-N 3.32Å; D131-R143 IonicContact OD1-NH1 3.68Å
132	S	81.8	Confident	82.1	Confident	18 Å²	18	49.8 Å²	49.8	13%	0.126	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	162.6	179.8	74.9	0	0	0	0	113.1	F128 D129 Y140 F141	F128-S132 WeakPolarHBondContact CA-O 3.28Å; F128-S132 VanDerWaalsContact CD2-O 3.24Å; F128-S132 WeakPolarHBondContact CD2-O 3.36Å; D129-S132 PolarHBondContact N-O 2.88Å; D129-S132 PolarHBondContact OD1-N 3.17Å; D129-S132 PolarHBondContact OD1-OG 3.13Å; D129-S132 PolarHBondContact OD2-OG 2.86Å; S132-Y140 VanDerWaalsContact CB-CE2 3.43Å; S132-Y140 WeakPolarHBondContact CB-OH 3.39Å; S132-F141 CarbonylContact C-O 3.53Å; S132-F141 VanDerWaalsContact CA-O 3.3Å; S132-F141 WeakPolarHBondContact CA-O 3.34Å
133	G	85.3	Confident	82.1	Confident	2 Å²	2	51.2 Å²	51.2	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	177.5	-177.8	0	0	0	0	0	114	S127 Y140 F141	S127-G133 CarbonylContact O-C 3.57Å; S127-G133 WeakPolarHBondContact O-CA 3.49Å; G133-Y140 CarbonylContact O-C 3.47Å; G133-Y140 WeakPolarHBondContact O-CA 3.29Å; G133-F141 PolarHBondContact N-O 3.4Å; G133-F141 VanDerWaalsContact O-CD1 3.25Å; G133-F141 WeakPolarHBondContact O-CD1 3.49Å; G133-F141 PolarHBondContact O-N 3.44Å
134	Y	83.3	Confident	82.2	Confident	100 Å²	100	61.6 Å²	61.6	39%	0.392	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.6	178.6	-71.1	-93.7	0	0	0	111.5	T126 S127 T139 Y140	T126-Y134 PolarHBondContact N-O 3.04Å; T126-Y134 PolarHBondContact OG1-O 3.06Å; S127-Y134 PolarHBondContact N-O 3.45Å; S127-Y134 PolarHBondContact O-N 2.94Å; S127-Y134 WeakPolarHBondContact OG-CD2 3.21Å; Y134-T139 CarbonylContact C-O 3.58Å; Y134-T139 VanDerWaalsContact CA-O 3.31Å; Y134-T139 WeakPolarHBondContact CA-O 3.47Å; Y134-Y140 HydrophobicContact CD2-CD2 4.47Å; Y134-Y140 HydrophobicContact CE1-CD2 4.05Å; Y134-Y140 HydrophobicContact CE1-CG 4.43Å; Y134-Y140 AromaticContact CE2-CD2 3.94Å; Y134-Y140 HydrophobicContact CE2-CD2 3.94Å; Y134-Y140 AromaticContact CZ-CD2 3.71Å
135	I	85.8	Confident	81.8	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	130.4	170.4	-57.1	151.9	0	0	0	107.7	L121 T124 Q137 T138 T139 F141 I158 A160 A173 V176	L121-I135 HydrophobicContact CD2-CB 4.22Å; L121-I135 HydrophobicContact CD2-CD1 4.44Å; L121-I135 HydrophobicContact CD2-CG2 3.81Å; L121-I135 HydrophobicContact CG-CG2 4.35Å; T124-I135 CarbonylContact O-C 3.53Å; T124-I135 WeakPolarHBondContact O-CA 3.43Å; I135-Q137 PolarHBondContact O-N 3.47Å; I135-T138 PolarHBondContact O-N 2.81Å; I135-T138 VanDerWaalsContact O-N 3.13Å; I135-T139 HydrophobicContact CD1-CG2 4.47Å; I135-T139 PolarHBondContact N-O 3.27Å; I135-T139 PolarHBondContact O-N 3.37Å; I135-F141 HydrophobicContact CD1-CB 4.45Å; I135-F141 HydrophobicContact CD1-CD1 3.85Å; I135-F141 HydrophobicContact CD1-CG 4.45Å; I135-F141 HydrophobicContact CG1-CD1 3.62Å; I135-F141 HydrophobicContact CG1-CE1 3.87Å; I135-I158 HydrophobicContact CB-CD1 4.27Å; I135-I158 HydrophobicContact CD1-CD1 3.37Å; I135-I158 HydrophobicContact CD1-CG1 4.49Å; I135-I158 HydrophobicContact CG1-CD1 3.45Å; I135-I158 VanDerWaalsContact CG1-CD1 3.45Å; I135-I158 HydrophobicContact CG1-CG1 4.13Å; I135-I158 HydrophobicContact CG2-CD1 3.78Å; I135-I158 HydrophobicContact CG2-CG1 4.4Å; I135-A160 HydrophobicContact CD1-CB 3.63Å; I135-A173 HydrophobicContact CD1-CB 4.21Å; I135-V176 HydrophobicContact CD1-CG2 3.94Å
136	N	84	Confident	81.5	Confident	63 Å²	63	62 Å²	62	34%	0.337	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	30.4	-178.4	-63.1	-17.1	0	0	0	113.9	I122 G123 T124 T138	I122-N136 PolarHBondContact O-ND2 3.38Å; G123-N136 WeakPolarHBondContact CA-ND2 3.35Å; G123-N136 WeakPolarHBondContact CA-OD1 3.43Å; T124-N136 PolarHBondContact N-OD1 3.07Å; T124-N136 PolarHBondContact O-N 3.07Å; T124-N136 PolarHBondContact OG1-OD1 3.14Å; N136-T138 PolarHBondContact O-N 3.11Å
137	Q	78.6	Confident	80.8	Confident	157 Å²	157	62.8 Å²	62.8	73%	0.734	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	-10.3	-175.8	-48.4	-179.9	-7.3	0	0	116.2	T126 I135	T126-Q137 HydrophobicContact CG2-CG 3.79Å; T126-Q137 WeakPolarHBondContact OG1-CA 2.92Å; T126-Q137 PolarHBondContact OG1-N 3.39Å; I135-Q137 PolarHBondContact O-N 3.47Å
138	T	74.8	Confident	80.1	Confident	98 Å²	98	70 Å²	70	60%	0.601	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.4	-23.2	-169.2	56.5	0	0	0	0	114.4	I135 N136 T171	I135-T138 PolarHBondContact O-N 2.81Å; I135-T138 VanDerWaalsContact O-N 3.13Å; N136-T138 PolarHBondContact O-N 3.11Å; T138-T171 PolarHBondContact O-OG1 3.45Å
139	T	81	Confident	79	Confident	4 Å²	4	71 Å²	71	3%	0.025	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	108.8	-174	-55.3	0	0	0	0	111.6	L121 Y134 I135 F162 T171 A173	L121-T139 HydrophobicContact CD2-CG2 3.81Å; L121-T139 WeakPolarHBondContact CD2-OG1 3.44Å; Y134-T139 CarbonylContact C-O 3.58Å; Y134-T139 VanDerWaalsContact CA-O 3.31Å; Y134-T139 WeakPolarHBondContact CA-O 3.47Å; I135-T139 HydrophobicContact CD1-CG2 4.47Å; I135-T139 PolarHBondContact N-O 3.27Å; I135-T139 PolarHBondContact O-N 3.37Å; T139-F162 HydrophobicContact CG2-CB 3.86Å; T139-F162 HydrophobicContact CG2-CG 4.19Å; T139-T171 CarbonylContact C-O 3.42Å; T139-T171 WeakPolarHBondContact CA-O 3.05Å; T139-T171 WeakPolarHBondContact CA-OG1 3.36Å; T139-T171 WeakPolarHBondContact CB-OG1 3.37Å; T139-T171 PolarHBondContact OG1-OG1 3Å; T139-A173 HydrophobicContact CG2-CB 4.32Å
140	Y	83.4	Confident	78.9	Confident	67 Å²	67	66 Å²	66	26%	0.263	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	136	-179.2	178	-106.9	0	0	0	110.7	S132 G133 Y134 T142 T171 Q172 A173	S132-Y140 VanDerWaalsContact CB-CE2 3.43Å; S132-Y140 WeakPolarHBondContact CB-OH 3.39Å; G133-Y140 CarbonylContact O-C 3.47Å; G133-Y140 WeakPolarHBondContact O-CA 3.29Å; Y134-Y140 HydrophobicContact CD2-CD2 4.47Å; Y134-Y140 HydrophobicContact CE1-CD2 4.05Å; Y134-Y140 HydrophobicContact CE1-CG 4.43Å; Y134-Y140 AromaticContact CE2-CD2 3.94Å; Y134-Y140 HydrophobicContact CE2-CD2 3.94Å; Y134-Y140 AromaticContact CZ-CD2 3.71Å; Y140-T142 HydrophobicContact CD1-CG2 4.34Å; Y140-T142 HydrophobicContact CE1-CG2 3.41Å; Y140-T142 VanDerWaalsContact CE1-CG2 3.41Å; Y140-T171 PolarHBondContact N-O 3.29Å; Y140-Q172 HydrophobicContact CD1-CG 4.23Å; Y140-Q172 CarbonylContact O-C 3.33Å; Y140-Q172 VanDerWaalsContact O-CA 3.26Å; Y140-Q172 WeakPolarHBondContact O-CA 3.35Å; Y140-A173 PolarHBondContact O-N 2.96Å
141	F	86.8	Confident	79.1	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	152.6	172.9	70.5	-93.2	0	0	0	109.8	V125 F128 S132 G133 I135 S145 L146 P152 A173 V176	V125-F141 HydrophobicContact CG1-CE1 4.3Å; V125-F141 HydrophobicContact CG1-CZ 4.1Å; F128-F141 HydrophobicContact CB-CZ 4.44Å; F128-F141 AromaticContact CD2-CE2 3.59Å; F128-F141 HydrophobicContact CD2-CE2 3.59Å; F128-F141 AromaticContact CD2-CZ 3.83Å; F128-F141 HydrophobicContact CD2-CZ 3.83Å; F128-F141 AromaticContact CE2-CE2 3.91Å; F128-F141 HydrophobicContact CE2-CE2 3.91Å; F128-F141 HydrophobicContact CG-CZ 4.46Å; S132-F141 CarbonylContact C-O 3.53Å; S132-F141 VanDerWaalsContact CA-O 3.3Å; S132-F141 WeakPolarHBondContact CA-O 3.34Å; G133-F141 PolarHBondContact N-O 3.4Å; G133-F141 VanDerWaalsContact O-CD1 3.25Å; G133-F141 WeakPolarHBondContact O-CD1 3.49Å; G133-F141 PolarHBondContact O-N 3.44Å; I135-F141 HydrophobicContact CD1-CB 4.45Å; I135-F141 HydrophobicContact CD1-CD1 3.85Å; I135-F141 HydrophobicContact CD1-CG 4.45Å; I135-F141 HydrophobicContact CG1-CD1 3.62Å; I135-F141 HydrophobicContact CG1-CE1 3.87Å; F141-S145 WeakPolarHBondContact CB-OG 3.27Å; F141-L146 HydrophobicContact CD2-CD2 3.72Å; F141-L146 HydrophobicContact CD2-CG 4.49Å; F141-L146 HydrophobicContact CE2-CD2 3.71Å; F141-P152 HydrophobicContact CE2-CG 3.96Å; F141-P152 HydrophobicContact CZ-CB 4.32Å; F141-P152 HydrophobicContact CZ-CG 4.21Å; F141-A173 HydrophobicContact CB-CB 3.59Å; F141-V176 HydrophobicContact CB-CG2 3.8Å; F141-V176 HydrophobicContact CD2-CG2 4.44Å; F141-V176 HydrophobicContact CG-CG2 4.1Å
142	T	82.5	Confident	79.4	Confident	29 Å²	29	64.1 Å²	64.1	18%	0.178	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	162.6	177.4	63.1	0	0	0	0	109.9	D131 Y140 Y144 S145	D131-T142 CarbonylContact O-C 3.59Å; Y140-T142 HydrophobicContact CD1-CG2 4.34Å; Y140-T142 HydrophobicContact CE1-CG2 3.41Å; Y140-T142 VanDerWaalsContact CE1-CG2 3.41Å; T142-Y144 PolarHBondContact O-N 2.99Å; T142-Y144 VanDerWaalsContact O-N 3.08Å; T142-S145 PolarHBondContact N-OG 3.22Å; T142-S145 PolarHBondContact O-N 3.38Å; T142-S145 PolarHBondContact O-OG 2.92Å
143	R	81.4	Confident	79.5	Confident	123 Å²	123	65.9 Å²	65.9	46%	0.464	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-51.9	-33.7	176.3	-168	175.5	-173	134.8	8.7	113.1	G130 D131 S145 L146 E151	G130-R143 PolarHBondContact O-NH1 3.07Å; D131-R143 WeakPolarHBondContact O-CB 3.33Å; D131-R143 PolarHBondContact O-N 3.32Å; D131-R143 IonicContact OD1-NH1 3.68Å; R143-S145 PolarHBondContact O-N 3.32Å; R143-L146 HydrophobicContact CG-CD1 4.42Å; R143-L146 WeakPolarHBondContact O-CB 3.33Å; R143-L146 PolarHBondContact O-N 2.95Å; R143-E151 IonicContact NH2-OE1 3.78Å; R143-E151 PolarHBondContact NH2-OE1 3.36Å
144	Y	79.6	Confident	79.4	Confident	219 Å²	219	73 Å²	73	86%	0.859	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-69.7	-15.7	178	-55.6	-71.1	0	0	0	114.7	T142	T142-Y144 PolarHBondContact O-N 2.99Å; T142-Y144 VanDerWaalsContact O-N 3.08Å
145	S	80.8	Confident	79.1	Confident	8 Å²	8	68.6 Å²	68.6	6%	0.056	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-90.7	-3.8	176.1	62.9	0	0	0	0	113.2	F141 T142 R143 A173 H174 S175 V176	F141-S145 WeakPolarHBondContact CB-OG 3.27Å; T142-S145 PolarHBondContact N-OG 3.22Å; T142-S145 PolarHBondContact O-N 3.38Å; T142-S145 PolarHBondContact O-OG 2.92Å; R143-S145 PolarHBondContact O-N 3.32Å; S145-A173 WeakPolarHBondContact CB-O 3.44Å; S145-H174 WeakPolarHBondContact CA-O 3.49Å; S145-H174 VanDerWaalsContact CB-O 3.31Å; S145-H174 WeakPolarHBondContact CB-O 3.35Å; S145-S175 CarbonylContact O-C 3.53Å; S145-S175 VanDerWaalsContact O-C 3.31Å; S145-S175 WeakPolarHBondContact O-CA 3.46Å; S145-V176 PolarHBondContact O-N 3.43Å
146	L	80.2	Confident	79.2	Confident	30 Å²	30	68.6 Å²	68.6	16%	0.157	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-81.7	145.9	-177.6	-59.3	177.6	0	0	0	112.1	F128 F141 R143 P152 V176	F128-L146 HydrophobicContact CE2-CD1 4.2Å; F128-L146 HydrophobicContact CZ-CD1 4.1Å; F141-L146 HydrophobicContact CD2-CD2 3.72Å; F141-L146 HydrophobicContact CD2-CG 4.49Å; F141-L146 HydrophobicContact CE2-CD2 3.71Å; R143-L146 HydrophobicContact CG-CD1 4.42Å; R143-L146 WeakPolarHBondContact O-CB 3.33Å; R143-L146 PolarHBondContact O-N 2.95Å; L146-P152 VanDerWaalsContact CD1-CD 3.45Å; L146-P152 HydrophobicContact CD1-CG 3.71Å; L146-P152 HydrophobicContact CD2-CG 3.37Å; L146-P152 HydrophobicContact CG-CG 4.16Å; L146-V176 HydrophobicContact CD2-CB 3.87Å; L146-V176 HydrophobicContact CD2-CG1 3.96Å
147	S	70.4	Confident	79.1	Confident	42 Å²	42	70.3 Å²	70.3	29%	0.294	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-63.6	141	169.2	57.3	0	0	0	0	111.6	G149 Y150 V176	S147-G149 PolarHBondContact O-N 3.08Å; S147-Y150 WeakPolarHBondContact O-CB 3.47Å; S147-Y150 PolarHBondContact O-N 3.14Å; S147-Y150 VanDerWaalsContact O-N 3.09Å; S147-Y150 WeakPolarHBondContact OG-CB 3.49Å; S147-V176 PolarHBondContact N-O 2.95Å
148	E	66.6	Low	79.4	Confident	204 Å²	204	62.8 Å²	62.8	95%	0.953	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	127.1	-178.4	-167.6	173.1	-164	0	0	112.1
149	G	62.7	Low	79.9	Confident	73 Å²	73	62.8 Å²	62.8	75%	0.753	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	4.2	-179.6	0	0	0	0	0	116.1	S147	S147-G149 PolarHBondContact O-N 3.08Å
150	Y	77.1	Confident	80	Confident	12 Å²	12	62.7 Å²	62.7	5%	0.047	30%	0.302	C	S	.	.			trans	-105	119.2	174.9	177	-125.6	0	0	0	111.7	S147 P152 D156 I158 P178 V229 L241	S147-Y150 WeakPolarHBondContact O-CB 3.47Å; S147-Y150 PolarHBondContact O-N 3.14Å; S147-Y150 VanDerWaalsContact O-N 3.09Å; S147-Y150 WeakPolarHBondContact OG-CB 3.49Å; Y150-P152 HydrophobicContact CD1-CG 4.21Å; Y150-P152 HydrophobicContact CE1-CB 3.87Å; Y150-P152 HydrophobicContact CE1-CG 3.79Å; Y150-D156 WeakPolarHBondContact OH-CB 3.47Å; Y150-D156 PolarHBondContact OH-OD2 2.79Å; Y150-I158 HydrophobicContact CE1-CG2 3.86Å; Y150-I158 WeakPolarHBondContact OH-CG2 3.45Å; Y150-P178 HydrophobicContact CD1-CG 3.89Å; Y150-P178 HydrophobicContact CD2-CG 3.58Å; Y150-P178 HydrophobicContact CE1-CG 3.98Å; Y150-P178 HydrophobicContact CE2-CG 3.71Å; Y150-P178 HydrophobicContact CG-CG 3.69Å; Y150-V229 HydrophobicContact CE2-CG2 4.48Å; Y150-L241 HydrophobicContact CD2-CD1 4.45Å; Y150-L241 HydrophobicContact CD2-CD2 4.37Å; Y150-L241 HydrophobicContact CE2-CD2 4.44Å
151	E	80.2	Confident	80	Confident	97 Å²	97	64.8 Å²	64.8	45%	0.453	31%	0.312	S	S	.	.			trans	-104.4	109.2	168.1	-70	-166.4	160.4	0	0	109.9	R143 R239	R143-E151 IonicContact NH2-OE1 3.78Å; R143-E151 PolarHBondContact NH2-OE1 3.36Å; E151-R239 PolarHBondContact O-NH2 2.88Å; E151-R239 VanDerWaalsContact O-NH2 3.09Å
152	P	81.7	Confident	79.8	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.318	C	S	.	.			trans	-70.3	143.7	-177.2	-5.9	15.5	0	0	0	111.9	V125 F128 F141 L146 Y150	V125-P152 HydrophobicContact CG1-CB 4.26Å; V125-P152 HydrophobicContact CG2-CB 3.86Å; F128-P152 WeakPolarHBondContact CD1-O 3.14Å; F141-P152 HydrophobicContact CE2-CG 3.96Å; F141-P152 HydrophobicContact CZ-CB 4.32Å; F141-P152 HydrophobicContact CZ-CG 4.21Å; L146-P152 VanDerWaalsContact CD1-CD 3.45Å; L146-P152 HydrophobicContact CD1-CG 3.71Å; L146-P152 HydrophobicContact CD2-CG 3.37Å; L146-P152 HydrophobicContact CG-CG 4.16Å; Y150-P152 HydrophobicContact CD1-CG 4.21Å; Y150-P152 HydrophobicContact CE1-CB 3.87Å; Y150-P152 HydrophobicContact CE1-CG 3.79Å
153	M	82.5	Confident	79.5	Confident	56 Å²	56	67.2 Å²	67.2	28%	0.276	32%	0.319	S	S	.	.			trans	-125	151.9	172.7	-75	-63.4	-172	0	0	111.1	V125 G155 D156 R239	V125-M153 WeakPolarHBondContact CB-O 3.27Å; M153-G155 PolarHBondContact O-N 3.35Å; M153-G155 VanDerWaalsContact O-N 3.1Å; M153-D156 PolarHBondContact N-OD2 3.27Å; M153-D156 WeakPolarHBondContact O-CB 3.49Å; M153-D156 VanDerWaalsContact O-CG 3.31Å; M153-D156 PolarHBondContact O-N 3.24Å; M153-R239 VanDerWaalsContact CG-CZ 3.46Å
154	K	83.3	Confident	79	Confident	150 Å²	150	64.1 Å²	64.1	65%	0.652	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	119.8	177.6	179.9	178.6	-179.6	-177.3	0	109.9	V125 T126 Q233	V125-K154 CarbonylContact O-C 3.59Å; V125-K154 VanDerWaalsContact O-CA 3.31Å; V125-K154 WeakPolarHBondContact O-CA 3.33Å; T126-K154 WeakPolarHBondContact O-CD 3.36Å; T126-K154 WeakPolarHBondContact O-CE 3.46Å; T126-K154 WeakPolarHBondContact O-CG 3.36Å; K154-Q233 VanDerWaalsContact O-CD 3.28Å; K154-Q233 WeakPolarHBondContact O-CG 3.31Å; K154-Q233 PolarHBondContact O-NE2 2.78Å
155	G	78.6	Confident	78.2	Confident	9 Å²	9	55.1 Å²	55.1	9%	0.093	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	104.5	-10.7	-176.5	0	0	0	0	0	114.6	V125 M153 S231 C232	V125-G155 PolarHBondContact O-N 3.05Å; M153-G155 PolarHBondContact O-N 3.35Å; M153-G155 VanDerWaalsContact O-N 3.1Å; G155-S231 CarbonylContact O-C 3.6Å; G155-S231 WeakPolarHBondContact O-CA 3.36Å; G155-S231 PolarHBondContact O-OG 2.88Å; G155-C232 VanDerWaalsContact CA-SG 3.5Å; G155-C232 PolarHBondContact O-N 3.1Å; G155-C232 PolarHBondContact O-SG 3.32Å
156	D	86.6	Confident	76.8	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-66.9	135.1	174.6	-69.5	-2.1	0	0	0	110.8	T124 V125 Y150 M153 I158 S231 Q233 R239	T124-D156 CarbonylContact C-O 3.54Å; T124-D156 WeakPolarHBondContact CA-O 3.47Å; V125-D156 HydrophobicContact CG2-CB 4.21Å; V125-D156 PolarHBondContact N-O 3.33Å; Y150-D156 WeakPolarHBondContact OH-CB 3.47Å; Y150-D156 PolarHBondContact OH-OD2 2.79Å; M153-D156 PolarHBondContact N-OD2 3.27Å; M153-D156 WeakPolarHBondContact O-CB 3.49Å; M153-D156 VanDerWaalsContact O-CG 3.31Å; M153-D156 PolarHBondContact O-N 3.24Å; D156-I158 HydrophobicContact CB-CG2 4.25Å; D156-S231 PolarHBondContact N-OG 3.45Å; D156-S231 VanDerWaalsContact OD1-CB 3.27Å; D156-S231 WeakPolarHBondContact OD1-CB 3.36Å; D156-S231 PolarHBondContact OD1-OG 3.02Å; D156-Q233 PolarHBondContact OD1-NE2 3.14Å; D156-R239 IonicContact OD1-NE 3.77Å; D156-R239 PolarHBondContact OD1-NE 2.85Å; D156-R239 IonicContact OD1-NH2 3.47Å; D156-R239 IonicContact OD2-CZ 2.63Å; D156-R239 IonicContact OD2-NE 2.96Å; D156-R239 IonicContact OD2-NH2 3.38Å; D156-R239 PolarHBondContact OD2-NH2 3.1Å
157	W	83.6	Confident	75.3	Confident	98 Å²	98	62.1 Å²	62.1	37%	0.371	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	124.6	171.7	-73.8	87.9	0	0	0	109.5	T124 L179 E230	T124-W157 HydrophobicContact CG2-CD2 3.52Å; T124-W157 VanDerWaalsContact CG2-CE2 3.46Å; T124-W157 HydrophobicContact CG2-CE3 3.76Å; T124-W157 HydrophobicContact CG2-CG 4.11Å; T124-W157 HydrophobicContact CG2-CH2 3.92Å; T124-W157 HydrophobicContact CG2-CZ2 3.68Å; T124-W157 HydrophobicContact CG2-CZ3 3.95Å; W157-L179 HydrophobicContact CB-CB 3.95Å; W157-L179 HydrophobicContact CB-CD2 4.02Å; W157-L179 HydrophobicContact CE3-CD2 4.29Å; W157-L179 WeakPolarHBondContact O-CB 3.4Å; W157-L179 PolarHBondContact O-N 3.06Å; W157-E230 HydrophobicContact CB-CB 4.4Å; W157-E230 HydrophobicContact CB-CG 4.32Å; W157-E230 HydrophobicContact CG-CG 4.33Å; W157-E230 PolarHBondContact N-O 3.41Å
158	I	84.1	Confident	74.7	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.2	-173.1	64.2	87	0	0	0	110.6	I122 G123 V125 I135 Y150 D156 A160 V176 A177	I122-I158 WeakPolarHBondContact CA-O 3.44Å; G123-I158 PolarHBondContact N-O 3Å; G123-I158 PolarHBondContact O-N 3.19Å; G123-I158 VanDerWaalsContact O-O 3.11Å; V125-I158 HydrophobicContact CG2-CB 4.48Å; V125-I158 HydrophobicContact CG2-CG1 3.85Å; V125-I158 HydrophobicContact CG2-CG2 3.74Å; I135-I158 HydrophobicContact CB-CD1 4.27Å; I135-I158 HydrophobicContact CD1-CD1 3.37Å; I135-I158 HydrophobicContact CD1-CG1 4.49Å; I135-I158 HydrophobicContact CG1-CD1 3.45Å; I135-I158 VanDerWaalsContact CG1-CD1 3.45Å; I135-I158 HydrophobicContact CG1-CG1 4.13Å; I135-I158 HydrophobicContact CG2-CD1 3.78Å; I135-I158 HydrophobicContact CG2-CG1 4.4Å; Y150-I158 HydrophobicContact CE1-CG2 3.86Å; Y150-I158 WeakPolarHBondContact OH-CG2 3.45Å; D156-I158 HydrophobicContact CB-CG2 4.25Å; I158-A160 HydrophobicContact CD1-CB 3.9Å; I158-V176 HydrophobicContact CB-CG1 4.02Å; I158-V176 HydrophobicContact CD1-CG1 3.68Å; I158-V176 HydrophobicContact CG1-CG1 4.03Å; I158-V176 HydrophobicContact CG2-CG1 4.4Å; I158-A177 CarbonylContact C-O 3.59Å; I158-A177 WeakPolarHBondContact CA-O 3.35Å; I158-A177 VanDerWaalsContact CB-O 3.29Å; I158-A177 WeakPolarHBondContact CB-O 3.49Å
159	Q	85.5	Confident	74.2	Confident	98 Å²	98	67.2 Å²	67.2	46%	0.458	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130	165.9	-174.1	178.3	18.9	0	0	108.9	L121 I122 A177 L179	L121-Q159 CarbonylContact O-C 3.57Å; L121-Q159 WeakPolarHBondContact O-CA 3.39Å; I122-Q159 HydrophobicContact CG1-CB 4.32Å; I122-Q159 HydrophobicContact CG1-CG 4.06Å; Q159-A177 PolarHBondContact N-O 3.5Å; Q159-A177 PolarHBondContact O-N 3.5Å; Q159-L179 HydrophobicContact CB-CD1 4.38Å
160	A	82.6	Confident	74	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.008	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	156.3	179.6	0	0	0	0	0	112.3	P120 L121 I135 I158 A173 S175 V176	P120-A160 CarbonylContact C-O 3.43Å; P120-A160 WeakPolarHBondContact CA-O 3.42Å; L121-A160 HydrophobicContact CB-CB 4.46Å; L121-A160 PolarHBondContact N-O 3.17Å; L121-A160 PolarHBondContact O-N 2.91Å; I135-A160 HydrophobicContact CD1-CB 3.63Å; I158-A160 HydrophobicContact CD1-CB 3.9Å; A160-A173 HydrophobicContact CB-CB 4.33Å; A160-S175 CarbonylContact C-O 3.46Å; A160-S175 WeakPolarHBondContact CA-O 3.43Å; A160-S175 WeakPolarHBondContact CB-O 3.18Å; A160-V176 HydrophobicContact CB-CG2 3.89Å
161	K	83.3	Confident	73.9	Confident	112 Å²	112	67.3 Å²	67.3	49%	0.487	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.3	161.7	-64.9	-179.8	179.8	176.4	0	107.5	L118 R119 A173 H174 S175	L118-K161 HydrophobicContact CB-CB 4.44Å; R119-K161 CarbonylContact O-C 3.58Å; R119-K161 VanDerWaalsContact O-CA 3.23Å; R119-K161 WeakPolarHBondContact O-CA 3.43Å; K161-A173 CarbonylContact O-C 3.55Å; K161-A173 WeakPolarHBondContact O-CA 3.24Å; K161-H174 PolarHBondContact O-N 3.29Å; K161-S175 WeakPolarHBondContact CB-OG 3.22Å; K161-S175 PolarHBondContact N-O 2.92Å; K161-S175 PolarHBondContact O-N 2.95Å
162	F	82.3	Confident	73.9	Confident	29 Å²	29	64.6 Å²	64.6	13%	0.127	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	158.7	-175.9	75.3	-84	0	0	0	112.2	L118 R119 L121 T139 I164 T171 Q172 A173	L118-F162 CarbonylContact C-O 3.53Å; L118-F162 WeakPolarHBondContact CA-O 3.36Å; R119-F162 HydrophobicContact CB-CD1 4.23Å; R119-F162 HydrophobicContact CB-CE1 3.78Å; R119-F162 HydrophobicContact CB-CZ 3.96Å; R119-F162 PolarHBondContact N-O 2.75Å; R119-F162 WeakPolarHBondContact O-CD1 3.2Å; R119-F162 PolarHBondContact O-N 3.43Å; L121-F162 HydrophobicContact CB-CD1 3.65Å; L121-F162 HydrophobicContact CB-CE1 3.81Å; L121-F162 HydrophobicContact CD2-CD1 4.25Å; T139-F162 HydrophobicContact CG2-CB 3.86Å; T139-F162 HydrophobicContact CG2-CG 4.19Å; F162-I164 HydrophobicContact CE2-CG1 4.31Å; F162-T171 HydrophobicContact CD2-CG2 4.15Å; F162-T171 HydrophobicContact CE2-CG2 3.93Å; F162-Q172 CarbonylContact C-O 3.6Å; F162-Q172 WeakPolarHBondContact CA-O 3.27Å; F162-Q172 VanDerWaalsContact CB-O 3.3Å; F162-Q172 WeakPolarHBondContact CB-O 2.92Å; F162-A173 HydrophobicContact CB-CB 4.47Å
163	Y	76	Confident	74	Confident	50 Å²	50	64.7 Å²	64.7	20%	0.196	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	164.9	168.4	65	-81.1	0	0	0	109.3	L118 N165 Q172 H174	L118-Y163 HydrophobicContact CD2-CD1 3.97Å; Y163-N165 HydrophobicContact CE2-CB 4.47Å; Y163-Q172 WeakPolarHBondContact CD1-O 3.41Å; Y163-Q172 HydrophobicContact CE1-CB 4.27Å; Y163-Q172 HydrophobicContact CE1-CG 4.39Å; Y163-Q172 PolarHBondContact N-O 2.72Å; Y163-Q172 PolarHBondContact O-N 2.76Å; Y163-Q172 PolarHBondContact OH-OE1 3.01Å; Y163-Q172 VanDerWaalsContact OH-OE1 3.1Å; Y163-H174 HydrophobicContact CD1-CB 4.38Å
164	I	71.8	Confident	73.9	Confident	58 Å²	58	67.3 Å²	67.3	30%	0.297	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	115.2	-179.9	-53.3	-175.2	0	0	0	107.3	S115 F162 P166 T171	S115-I164 VanDerWaalsContact O-O 3.04Å; F162-I164 HydrophobicContact CE2-CG1 4.31Å; I164-P166 VanDerWaalsContact O-CD 3.26Å; I164-P166 WeakPolarHBondContact O-CD 3.42Å; I164-T171 HydrophobicContact CG1-CG2 4.23Å
165	N	61.9	Low	73.8	Confident	30 Å²	30	62.4 Å²	62.4	16%	0.16	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	114.7	177.1	-175	-25.2	0	0	0	109.1	Y163 T167 Q168 W169 T170	Y163-N165 HydrophobicContact CE2-CB 4.47Å; N165-T167 PolarHBondContact O-N 2.96Å; N165-T167 PolarHBondContact OD1-N 3.45Å; N165-T167 PolarHBondContact OD1-OG1 3.35Å; N165-Q168 PolarHBondContact O-N 3.33Å; N165-W169 WeakPolarHBondContact O-CA 3.44Å; N165-W169 PolarHBondContact O-N 3.14Å; N165-T170 PolarHBondContact N-O 3.35Å
166	P	51.6	Low	73.9	Confident	69 Å²	69	62 Å²	62	45%	0.448	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-17.1	-172.8	30	-35.3	0	0	0	113	I164	I164-P166 VanDerWaalsContact O-CD 3.26Å; I164-P166 WeakPolarHBondContact O-CD 3.42Å
167	T	49.8	Very low	73.3	Confident	116 Å²	116	63.9 Å²	63.9	71%	0.712	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-27.3	179.2	57.9	0	0	0	0	113.6	N165	N165-T167 PolarHBondContact O-N 2.96Å; N165-T167 PolarHBondContact OD1-N 3.45Å; N165-T167 PolarHBondContact OD1-OG1 3.35Å
168	Q	57.6	Low	73	Confident	136 Å²	136	60.9 Å²	60.9	64%	0.636	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	-7.8	-177.3	-67.2	-175.2	-14.9	0	0	113.4	N165 T170	N165-Q168 PolarHBondContact O-N 3.33Å; Q168-T170 HydrophobicContact CB-CG2 4.32Å; Q168-T170 PolarHBondContact O-N 2.95Å; Q168-T170 VanDerWaalsContact O-N 3.11Å
169	W	55.4	Low	72.6	Confident	217 Å²	217	63.3 Å²	63.3	82%	0.822	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	26.8	-174	-72.7	84.6	0	0	0	113.8	N165	N165-W169 WeakPolarHBondContact O-CA 3.44Å; N165-W169 PolarHBondContact O-N 3.14Å
170	T	58.6	Low	71.9	Confident	58 Å²	58	65.9 Å²	65.9	36%	0.356	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	140	176.4	50.7	0	0	0	0	110.1	N165 Q168	N165-T170 PolarHBondContact N-O 3.35Å; Q168-T170 HydrophobicContact CB-CG2 4.32Å; Q168-T170 PolarHBondContact O-N 2.95Å; Q168-T170 VanDerWaalsContact O-N 3.11Å
171	T	75.5	Confident	71.4	Confident	30 Å²	30	74.9 Å²	74.9	18%	0.184	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	120.9	173.9	62.6	0	0	0	0	109	T138 T139 Y140 F162 I164	T138-T171 PolarHBondContact O-OG1 3.45Å; T139-T171 CarbonylContact C-O 3.42Å; T139-T171 WeakPolarHBondContact CA-O 3.05Å; T139-T171 WeakPolarHBondContact CA-OG1 3.36Å; T139-T171 WeakPolarHBondContact CB-OG1 3.37Å; T139-T171 PolarHBondContact OG1-OG1 3Å; Y140-T171 PolarHBondContact N-O 3.29Å; F162-T171 HydrophobicContact CD2-CG2 4.15Å; F162-T171 HydrophobicContact CE2-CG2 3.93Å; I164-T171 HydrophobicContact CG1-CG2 4.23Å
172	Q	80.7	Confident	70.5	Confident	39 Å²	39	71.5 Å²	71.5	18%	0.182	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.6	-176.8	-171.5	169.7	10.9	0	0	111.1	Y140 F162 Y163	Y140-Q172 HydrophobicContact CD1-CG 4.23Å; Y140-Q172 CarbonylContact O-C 3.33Å; Y140-Q172 VanDerWaalsContact O-CA 3.26Å; Y140-Q172 WeakPolarHBondContact O-CA 3.35Å; F162-Q172 CarbonylContact C-O 3.6Å; F162-Q172 WeakPolarHBondContact CA-O 3.27Å; F162-Q172 VanDerWaalsContact CB-O 3.3Å; F162-Q172 WeakPolarHBondContact CB-O 2.92Å; Y163-Q172 WeakPolarHBondContact CD1-O 3.41Å; Y163-Q172 HydrophobicContact CE1-CB 4.27Å; Y163-Q172 HydrophobicContact CE1-CG 4.39Å; Y163-Q172 PolarHBondContact N-O 2.72Å; Y163-Q172 PolarHBondContact O-N 2.76Å; Y163-Q172 PolarHBondContact OH-OE1 3.01Å; Y163-Q172 VanDerWaalsContact OH-OE1 3.1Å
173	A	83.3	Confident	69.8	Low	3 Å²	3	77.6 Å²	77.6	3%	0.025	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	133	175.1	0	0	0	0	0	111	I135 T139 Y140 F141 S145 A160 K161 F162 V176	I135-A173 HydrophobicContact CD1-CB 4.21Å; T139-A173 HydrophobicContact CG2-CB 4.32Å; Y140-A173 PolarHBondContact O-N 2.96Å; F141-A173 HydrophobicContact CB-CB 3.59Å; S145-A173 WeakPolarHBondContact CB-O 3.44Å; A160-A173 HydrophobicContact CB-CB 4.33Å; K161-A173 CarbonylContact O-C 3.55Å; K161-A173 WeakPolarHBondContact O-CA 3.24Å; F162-A173 HydrophobicContact CB-CB 4.47Å; A173-V176 HydrophobicContact CB-CG2 3.64Å
174	H	80.3	Confident	69.5	Low	111 Å²	111	78 Å²	78	51%	0.514	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-37.8	173.2	-179.1	76.9	0	0	0	112.2	L118 S145 K161 Y163	L118-H174 HydrophobicContact CD1-CB 4.34Å; L118-H174 VanDerWaalsContact CD1-CD2 3.47Å; L118-H174 WeakPolarHBondContact CD1-CD2 3.37Å; L118-H174 HydrophobicContact CD2-CB 3.28Å; L118-H174 HydrophobicContact CG-CB 4.45Å; S145-H174 WeakPolarHBondContact CA-O 3.49Å; S145-H174 VanDerWaalsContact CB-O 3.31Å; S145-H174 WeakPolarHBondContact CB-O 3.35Å; K161-H174 PolarHBondContact O-N 3.29Å; Y163-H174 HydrophobicContact CD1-CB 4.38Å
175	S	80.4	Confident	69.4	Low	46 Å²	46	79.3 Å²	79.3	32%	0.322	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.1	174.4	66.7	0	0	0	0	109.9	S145 A160 K161	S145-S175 CarbonylContact O-C 3.53Å; S145-S175 VanDerWaalsContact O-C 3.31Å; S145-S175 WeakPolarHBondContact O-CA 3.46Å; A160-S175 CarbonylContact C-O 3.46Å; A160-S175 WeakPolarHBondContact CA-O 3.43Å; A160-S175 WeakPolarHBondContact CB-O 3.18Å; K161-S175 WeakPolarHBondContact CB-OG 3.22Å; K161-S175 PolarHBondContact N-O 2.92Å; K161-S175 PolarHBondContact O-N 2.95Å
176	V	81.2	Confident	70.3	Confident	2 Å²	2	84.7 Å²	84.7	1%	0.012	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	123.8	179.4	177.4	0	0	0	0	108.3	I135 F141 S145 L146 S147 I158 A160 A173	I135-V176 HydrophobicContact CD1-CG2 3.94Å; F141-V176 HydrophobicContact CB-CG2 3.8Å; F141-V176 HydrophobicContact CD2-CG2 4.44Å; F141-V176 HydrophobicContact CG-CG2 4.1Å; S145-V176 PolarHBondContact O-N 3.43Å; L146-V176 HydrophobicContact CD2-CB 3.87Å; L146-V176 HydrophobicContact CD2-CG1 3.96Å; S147-V176 PolarHBondContact N-O 2.95Å; I158-V176 HydrophobicContact CB-CG1 4.02Å; I158-V176 HydrophobicContact CD1-CG1 3.68Å; I158-V176 HydrophobicContact CG1-CG1 4.03Å; I158-V176 HydrophobicContact CG2-CG1 4.4Å; A160-V176 HydrophobicContact CB-CG2 3.89Å; A173-V176 HydrophobicContact CB-CG2 3.64Å
177	A	74.8	Confident	71.5	Confident	39 Å²	39	82 Å²	82	32%	0.322	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	156.1	177.6	0	0	0	0	0	110.3	I158 Q159	I158-A177 CarbonylContact C-O 3.59Å; I158-A177 WeakPolarHBondContact CA-O 3.35Å; I158-A177 VanDerWaalsContact CB-O 3.29Å; I158-A177 WeakPolarHBondContact CB-O 3.49Å; Q159-A177 PolarHBondContact N-O 3.5Å; Q159-A177 PolarHBondContact O-N 3.5Å
178	P	77.4	Confident	73.3	Confident	34 Å²	34	83.1 Å²	83.1	22%	0.221	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	142.3	173.4	-20.7	31.5	0	0	0	111.6	Y150 V229	Y150-P178 HydrophobicContact CD1-CG 3.89Å; Y150-P178 HydrophobicContact CD2-CG 3.58Å; Y150-P178 HydrophobicContact CE1-CG 3.98Å; Y150-P178 HydrophobicContact CE2-CG 3.71Å; Y150-P178 HydrophobicContact CG-CG 3.69Å; P178-V229 HydrophobicContact CB-CB 4.29Å; P178-V229 HydrophobicContact CB-CG1 3.7Å; P178-V229 HydrophobicContact CG-CG1 3.89Å
179	L	74.1	Confident	74.7	Confident	52 Å²	52	76.7 Å²	76.7	27%	0.272	36%	0.356	S	S	.	.	S	Bend	trans	-66.3	-40.3	177.6	-177.4	63.7	0	0	0	111.3	I122 W157 Q159	I122-L179 HydrophobicContact CD1-CD1 3.91Å; I122-L179 HydrophobicContact CG1-CD1 4.06Å; I122-L179 HydrophobicContact CG2-CD1 3.82Å; I122-L179 HydrophobicContact CG2-CD2 3.89Å; I122-L179 HydrophobicContact CG2-CG 4.44Å; W157-L179 HydrophobicContact CB-CB 3.95Å; W157-L179 HydrophobicContact CB-CD2 4.02Å; W157-L179 HydrophobicContact CE3-CD2 4.29Å; W157-L179 WeakPolarHBondContact O-CB 3.4Å; W157-L179 PolarHBondContact O-N 3.06Å; Q159-L179 HydrophobicContact CB-CD1 4.38Å
180	R	71.6	Confident	76.2	Confident	151 Å²	151	68.5 Å²	68.5	57%	0.57	33%	0.33	S	S	*	.			trans	-143.8	138.5	176.9	-65.6	-174.5	178	161.4	-6.1	111.1	V229 E230 W238	R180-V229 WeakPolarHBondContact O-CA 3.21Å; R180-E230 HydrophobicContact CB-CB 4.22Å; R180-E230 VanDerWaalsContact CD-OE2 3.3Å; R180-E230 WeakPolarHBondContact CD-OE2 3.27Å; R180-E230 IonicContact NE-OE2 3.49Å; R180-E230 IonicContact NH1-OE1 3.9Å; R180-E230 PolarHBondContact O-N 2.75Å; R180-W238 HydrophobicContact CB-CH2 4.23Å; R180-W238 HydrophobicContact CB-CZ3 4.48Å
181	Y	71.9	Confident	77.5	Confident	190 Å²	190	68.3 Å²	68.3	75%	0.745	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	148.9	168.2	84.4	-86.1	0	0	0	109.2	M228	Y181-M228 WeakPolarHBondContact CA-O 3.49Å
182	S	63.8	Low	78.1	Confident	42 Å²	42	69 Å²	69	29%	0.294	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	163.3	172.9	-175.8	0	0	0	0	109.8	V227 M228	S182-V227 WeakPolarHBondContact O-CA 3.27Å; S182-M228 PolarHBondContact N-O 2.86Å; S182-M228 PolarHBondContact O-N 2.95Å; S182-M228 WeakPolarHBondContact OG-CE 3.17Å
183	R	67.9	Low	78	Confident	156 Å²	156	77.1 Å²	77.1	59%	0.589	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.6	127.6	179.3	-179.8	178	172.4	173.2	-0.5	109.5	N185 L226 V227	R183-N185 PolarHBondContact NE-OD1 2.9Å; R183-N185 PolarHBondContact NH2-OD1 3.47Å; R183-L226 CarbonylContact C-O 3.59Å; R183-L226 WeakPolarHBondContact CA-O 3.43Å; R183-V227 HydrophobicContact CG-CG2 4.36Å
184	L	69	Low	78	Confident	58 Å²	58	80 Å²	80	30%	0.304	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	138.5	170.1	-72.2	166.7	0	0	0	109.4	V187 V203 N225 L226 M228	L184-V187 HydrophobicContact CB-CB 4.42Å; L184-V187 HydrophobicContact CB-CG1 3.77Å; L184-V187 HydrophobicContact CB-CG2 3.76Å; L184-V187 HydrophobicContact CD1-CG1 4.26Å; L184-V187 HydrophobicContact CD2-CG1 4.36Å; L184-V187 HydrophobicContact CG-CG1 4.32Å; L184-V203 HydrophobicContact CD1-CG2 4.01Å; L184-N225 CarbonylContact O-C 3.54Å; L184-N225 WeakPolarHBondContact O-CA 3.34Å; L184-L226 HydrophobicContact CB-CD1 4.3Å; L184-L226 HydrophobicContact CB-CG 4.1Å; L184-L226 HydrophobicContact CD1-CD1 4.38Å; L184-L226 PolarHBondContact N-O 2.91Å; L184-L226 PolarHBondContact O-N 2.88Å; L184-M228 HydrophobicContact CB-CE 4.32Å; L184-M228 HydrophobicContact CD1-CE 3.57Å; L184-M228 HydrophobicContact CD1-SD 4.38Å; L184-M228 HydrophobicContact CD2-CE 4.33Å; L184-M228 HydrophobicContact CG-CE 3.4Å; L184-M228 VanDerWaalsContact CG-CE 3.4Å; L184-M228 HydrophobicContact CG-SD 4.23Å
185	N	71.3	Confident	78.1	Confident	86 Å²	86	78.9 Å²	78.9	46%	0.46	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	144.5	175.5	-60.8	-55.1	0	0	0	109.6	R183 V187 N225	R183-N185 PolarHBondContact NE-OD1 2.9Å; R183-N185 PolarHBondContact NH2-OD1 3.47Å; N185-V187 VanDerWaalsContact C-N 3.35Å; N185-V187 PolarHBondContact O-N 3.1Å; N185-N225 WeakPolarHBondContact CA-OD1 3.34Å; N185-N225 VanDerWaalsContact CB-OD1 3.29Å; N185-N225 WeakPolarHBondContact CB-OD1 3.5Å
186	Q	80	Confident	78.4	Confident	143 Å²	143	78.5 Å²	78.5	67%	0.668	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.7	43.4	179	-56.9	-172.6	10	0	0	114.5	L223 V224 N225	Q186-L223 HydrophobicContact CB-CD2 4.17Å; Q186-L223 WeakPolarHBondContact O-CD2 3.39Å; Q186-V224 PolarHBondContact N-O 2.89Å; Q186-N225 PolarHBondContact N-OD1 2.85Å
187	V	77.6	Confident	78.7	Confident	14 Å²	14	78.5 Å²	78.5	9%	0.085	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	149.1	178.8	-76.4	0	0	0	0	111.3	L184 N185 V199 E200 V224 L226	L184-V187 HydrophobicContact CB-CB 4.42Å; L184-V187 HydrophobicContact CB-CG1 3.77Å; L184-V187 HydrophobicContact CB-CG2 3.76Å; L184-V187 HydrophobicContact CD1-CG1 4.26Å; L184-V187 HydrophobicContact CD2-CG1 4.36Å; L184-V187 HydrophobicContact CG-CG1 4.32Å; N185-V187 VanDerWaalsContact C-N 3.35Å; N185-V187 PolarHBondContact O-N 3.1Å; V187-V199 HydrophobicContact CB-CG1 3.85Å; V187-V199 HydrophobicContact CG2-CG1 3.65Å; V187-E200 HydrophobicContact CB-CG 3.6Å; V187-E200 HydrophobicContact CG1-CG 3.72Å; V187-V224 HydrophobicContact CG2-CG2 4.33Å; V187-V224 WeakPolarHBondContact CG2-O 3.35Å; V187-V224 PolarHBondContact N-O 2.88Å; V187-V224 WeakPolarHBondContact O-CG2 3.33Å; V187-V224 PolarHBondContact O-N 2.98Å; V187-L226 HydrophobicContact CG2-CD2 3.43Å; V187-L226 VanDerWaalsContact CG2-CD2 3.43Å; V187-L226 HydrophobicContact CG2-CG 3.99Å
188	R	86.4	Confident	79.3	Confident	139 Å²	139	77.1 Å²	77.1	53%	0.525	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	130.6	-172.3	-169.1	177.9	-66.2	-162.8	1.2	112.2	T190 V199 E200 D222	R188-T190 PolarHBondContact O-N 2.99Å; R188-T190 VanDerWaalsContact O-N 3.1Å; R188-V199 WeakPolarHBondContact O-CA 3.4Å; R188-V199 WeakPolarHBondContact O-CG1 3.37Å; R188-E200 PolarHBondContact N-OE1 2.85Å; R188-E200 PolarHBondContact O-N 3.27Å; R188-D222 WeakPolarHBondContact CA-O 3.29Å
189	V	87.4	Confident	79.6	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	109.3	166.2	-179.2	0	0	0	0	108	V192 V199 F205 P218 S219 P220 G221 D222 V224	V189-V192 HydrophobicContact CG1-CG2 3.5Å; V189-V199 HydrophobicContact CG2-CG2 4.26Å; V189-F205 HydrophobicContact CG1-CE1 4.12Å; V189-F205 HydrophobicContact CG1-CZ 4.13Å; V189-P218 HydrophobicContact CG2-CB 4.37Å; V189-S219 WeakPolarHBondContact CB-O 3.16Å; V189-S219 WeakPolarHBondContact CG1-O 3.46Å; V189-P220 CarbonylContact O-C 3.49Å; V189-P220 WeakPolarHBondContact O-CA 3.46Å; V189-G221 PolarHBondContact O-N 3.49Å; V189-D222 HydrophobicContact CB-CB 4.49Å; V189-D222 HydrophobicContact CG2-CB 4.1Å; V189-D222 PolarHBondContact N-O 2.98Å; V189-V224 HydrophobicContact CG2-CG1 3.91Å; V189-V224 HydrophobicContact CG2-CG2 3.85Å
190	T	87.1	Confident	80.2	Confident	45 Å²	45	77.3 Å²	77.3	28%	0.276	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-35.7	-174.8	55.1	0	0	0	0	112.2	R188 V198 D201	R188-T190 PolarHBondContact O-N 2.99Å; R188-T190 VanDerWaalsContact O-N 3.1Å; T190-V198 PolarHBondContact N-O 2.79Å; T190-V198 PolarHBondContact OG1-O 2.89Å; T190-D201 WeakPolarHBondContact CB-OD1 3.39Å; T190-D201 WeakPolarHBondContact CG2-OD1 3.11Å; T190-D201 PolarHBondContact OG1-N 3.47Å; T190-D201 PolarHBondContact OG1-OD1 2.85Å
191	S	86	Confident	80.6	Confident	54 Å²	54	75.6 Å²	75.6	38%	0.378	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	150.3	177.4	62.3	0	0	0	0	112.6	G197 V198	S191-G197 CarbonylContact O-C 3.5Å; S191-G197 WeakPolarHBondContact O-CA 3.38Å; S191-V198 PolarHBondContact N-O 3.23Å; S191-V198 PolarHBondContact O-N 3.05Å
192	V	87.8	Confident	81	Confident	44 Å²	44	69.2 Å²	69.2	27%	0.267	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	125.6	173.3	-173.3	0	0	0	0	107.9	V189 F205 P220	V189-V192 HydrophobicContact CG1-CG2 3.5Å; V192-F205 HydrophobicContact CG2-CZ 4Å; V192-P220 HydrophobicContact CB-CG 4.21Å; V192-P220 HydrophobicContact CG2-CG 4.08Å
193	Y	79.3	Confident	82.1	Confident	211 Å²	211	67.3 Å²	67.3	83%	0.827	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137	111.3	179.4	-166	-92.9	0	0	0	110.5	N195 S196	Y193-N195 PolarHBondContact O-N 2.82Å; Y193-S196 CarbonylContact C-O 3.51Å; Y193-S196 PolarHBondContact N-O 3.41Å; Y193-S196 PolarHBondContact O-N 3.47Å; Y193-S196 VanDerWaalsContact O-N 3.16Å; Y193-S196 VanDerWaalsContact O-O 3.07Å
194	G	82.9	Confident	83.1	Confident	62 Å²	62	60.9 Å²	60.9	64%	0.639	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	-124.7	-174.7	0	0	0	0	0	111.6
195	N	82.9	Confident	84.1	Confident	89 Å²	89	58.1 Å²	58.1	48%	0.476	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	12.4	177.4	-78	10.1	0	0	0	113.5	Y193 S206 L207 D208	Y193-N195 PolarHBondContact O-N 2.82Å; N195-S206 CarbonylContact O-C 3.58Å; N195-S206 WeakPolarHBondContact O-CA 3.33Å; N195-S206 PolarHBondContact O-OG 3Å; N195-L207 HydrophobicContact CB-CB 4.36Å; N195-L207 PolarHBondContact O-N 3.43Å; N195-D208 PolarHBondContact ND2-OD1 3Å
196	S	85.8	Confident	84.6	Confident	37 Å²	37	54.8 Å²	54.8	26%	0.259	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	159.2	179.9	-55.8	0	0	0	0	112	Y193 F205	Y193-S196 CarbonylContact C-O 3.51Å; Y193-S196 PolarHBondContact N-O 3.41Å; Y193-S196 PolarHBondContact O-N 3.47Å; Y193-S196 VanDerWaalsContact O-N 3.16Å; Y193-S196 VanDerWaalsContact O-O 3.07Å; S196-F205 CarbonylContact C-O 3.59Å; S196-F205 VanDerWaalsContact CA-O 3.24Å; S196-F205 WeakPolarHBondContact CA-O 3.3Å; S196-F205 WeakPolarHBondContact CB-O 3.32Å
197	G	87.8	Confident	84.7	Confident	3 Å²	3	50.3 Å²	50.3	3%	0.031	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	178.1	178.4	0	0	0	0	0	112.6	S191 F205	S191-G197 CarbonylContact O-C 3.5Å; S191-G197 WeakPolarHBondContact O-CA 3.38Å; G197-F205 PolarHBondContact N-O 3.16Å; G197-F205 VanDerWaalsContact O-CD1 3.32Å; G197-F205 WeakPolarHBondContact O-CD1 3.5Å; G197-F205 PolarHBondContact O-N 3.27Å
198	V	86.6	Confident	84.5	Confident	10 Å²	10	55.2 Å²	55.2	6%	0.061	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	140.2	-178.8	-171.6	0	0	0	0	109.4	T190 S191 V203 Y236	T190-V198 PolarHBondContact N-O 2.79Å; T190-V198 PolarHBondContact OG1-O 2.89Å; S191-V198 PolarHBondContact N-O 3.23Å; S191-V198 PolarHBondContact O-N 3.05Å; V198-V203 CarbonylContact C-O 3.14Å; V198-V203 WeakPolarHBondContact CA-O 3.39Å; V198-Y236 HydrophobicContact CG1-CE1 4.13Å; V198-Y236 HydrophobicContact CG2-CE2 4.14Å
199	V	84.8	Confident	83.6	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.1	171.9	-168.7	0	0	0	0	108.5	V187 R188 V189 D201 S202 V203 F205 V224 L226 I243	V187-V199 HydrophobicContact CB-CG1 3.85Å; V187-V199 HydrophobicContact CG2-CG1 3.65Å; R188-V199 WeakPolarHBondContact O-CA 3.4Å; R188-V199 WeakPolarHBondContact O-CG1 3.37Å; V189-V199 HydrophobicContact CG2-CG2 4.26Å; V199-D201 PolarHBondContact O-N 3.46Å; V199-D201 VanDerWaalsContact O-N 3.1Å; V199-S202 PolarHBondContact O-N 2.91Å; V199-V203 HydrophobicContact CB-CB 4.48Å; V199-V203 PolarHBondContact N-O 3.43Å; V199-V203 PolarHBondContact O-N 3.01Å; V199-F205 HydrophobicContact CG2-CD1 3.75Å; V199-F205 HydrophobicContact CG2-CE1 3.74Å; V199-V224 HydrophobicContact CG1-CG2 4.18Å; V199-V224 HydrophobicContact CG2-CG2 4.5Å; V199-L226 HydrophobicContact CB-CD2 3.68Å; V199-L226 HydrophobicContact CG1-CD2 3.46Å; V199-L226 VanDerWaalsContact CG1-CD2 3.46Å; V199-L226 HydrophobicContact CG2-CD2 3.77Å; V199-I243 HydrophobicContact CG2-CD1 3.85Å
200	E	85.6	Confident	83.2	Confident	90 Å²	90	49.8 Å²	49.8	42%	0.421	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	36.4	-178.1	-66.6	-68.2	158.1	0	0	114.1	V187 R188 S202	V187-E200 HydrophobicContact CB-CG 3.6Å; V187-E200 HydrophobicContact CG1-CG 3.72Å; R188-E200 PolarHBondContact N-OE1 2.85Å; R188-E200 PolarHBondContact O-N 3.27Å; E200-S202 WeakPolarHBondContact O-CB 3.49Å; E200-S202 PolarHBondContact O-N 3.36Å; E200-S202 PolarHBondContact O-OG 3.44Å
201	D	81.2	Confident	82.6	Confident	115 Å²	115	53.3 Å²	53.3	62%	0.615	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	15.4	179.2	-60.3	-31.8	0	0	0	116.1	T190 V199 Y236	T190-D201 WeakPolarHBondContact CB-OD1 3.39Å; T190-D201 WeakPolarHBondContact CG2-OD1 3.11Å; T190-D201 PolarHBondContact OG1-N 3.47Å; T190-D201 PolarHBondContact OG1-OD1 2.85Å; V199-D201 PolarHBondContact O-N 3.46Å; V199-D201 VanDerWaalsContact O-N 3.1Å; D201-Y236 WeakPolarHBondContact O-CE1 3.24Å
202	S	80.1	Confident	82.1	Confident	55 Å²	55	53.3 Å²	53.3	39%	0.385	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.3	-20.7	-168.9	55.5	0	0	0	0	113.9	V199 E200	V199-S202 PolarHBondContact O-N 2.91Å; E200-S202 WeakPolarHBondContact O-CB 3.49Å; E200-S202 PolarHBondContact O-N 3.36Å; E200-S202 PolarHBondContact O-OG 3.44Å
203	V	86.7	Confident	81.4	Confident	2 Å²	2	54 Å²	54	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	115.3	178.8	-172.4	0	0	0	0	110.2	L184 V198 V199 L226 M228 W238 A240	L184-V203 HydrophobicContact CD1-CG2 4.01Å; V198-V203 CarbonylContact C-O 3.14Å; V198-V203 WeakPolarHBondContact CA-O 3.39Å; V199-V203 HydrophobicContact CB-CB 4.48Å; V199-V203 PolarHBondContact N-O 3.43Å; V199-V203 PolarHBondContact O-N 3.01Å; V203-L226 HydrophobicContact CG1-CD1 3.98Å; V203-M228 HydrophobicContact CG1-CB 3.93Å; V203-M228 HydrophobicContact CG1-CG 4.36Å; V203-W238 HydrophobicContact CB-CB 4.46Å; V203-W238 HydrophobicContact CG1-CB 4.19Å; V203-W238 HydrophobicContact CG2-CB 4.08Å; V203-A240 HydrophobicContact CG1-CB 4.01Å
204	F	88.9	Confident	80.3	Confident	21 Å²	21	48.7 Å²	48.7	9%	0.092	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	145	176.6	179.1	-104.2	0	0	0	111.3	Q233 S234 Y236 W238 R239 A240	F204-Q233 HydrophobicContact CD1-CB 4.27Å; F204-S234 WeakPolarHBondContact CZ-OG 3.45Å; F204-Y236 HydrophobicContact CB-CD2 3.73Å; F204-Y236 HydrophobicContact CB-CG 4.05Å; F204-Y236 HydrophobicContact CD2-CD2 4.23Å; F204-Y236 HydrophobicContact CD2-CE2 4.41Å; F204-Y236 HydrophobicContact CG-CD2 4.3Å; F204-W238 PolarHBondContact N-O 3.24Å; F204-R239 CarbonylContact O-C 3.33Å; F204-R239 WeakPolarHBondContact O-CA 3.24Å; F204-A240 PolarHBondContact O-N 3.2Å
205	F	89.6	Confident	79.5	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	150.6	168.4	69.1	-96.4	0	0	0	111.9	V189 V192 S196 G197 V199 L207 L210 P218 A240 I243	V189-F205 HydrophobicContact CG1-CE1 4.12Å; V189-F205 HydrophobicContact CG1-CZ 4.13Å; V192-F205 HydrophobicContact CG2-CZ 4Å; S196-F205 CarbonylContact C-O 3.59Å; S196-F205 VanDerWaalsContact CA-O 3.24Å; S196-F205 WeakPolarHBondContact CA-O 3.3Å; S196-F205 WeakPolarHBondContact CB-O 3.32Å; G197-F205 PolarHBondContact N-O 3.16Å; G197-F205 VanDerWaalsContact O-CD1 3.32Å; G197-F205 WeakPolarHBondContact O-CD1 3.5Å; G197-F205 PolarHBondContact O-N 3.27Å; V199-F205 HydrophobicContact CG2-CD1 3.75Å; V199-F205 HydrophobicContact CG2-CE1 3.74Å; F205-L207 HydrophobicContact CD2-CD2 4.35Å; F205-L207 HydrophobicContact CE2-CD2 4.06Å; F205-L210 HydrophobicContact CB-CD1 4.24Å; F205-L210 HydrophobicContact CB-CD2 4.14Å; F205-L210 HydrophobicContact CD2-CD2 3.63Å; F205-L210 HydrophobicContact CE2-CD2 4.26Å; F205-L210 HydrophobicContact CG-CD2 4.07Å; F205-P218 HydrophobicContact CE2-CB 4.11Å; F205-P218 HydrophobicContact CE2-CG 4.14Å; F205-P218 HydrophobicContact CZ-CB 3.84Å; F205-P218 HydrophobicContact CZ-CG 4.32Å; F205-A240 HydrophobicContact CB-CB 3.85Å; F205-I243 HydrophobicContact CB-CD1 4.18Å; F205-I243 HydrophobicContact CD1-CD1 3.68Å; F205-I243 HydrophobicContact CD2-CD1 4.37Å; F205-I243 HydrophobicContact CE1-CD1 4.02Å; F205-I243 HydrophobicContact CG-CD1 3.84Å; F205-I243 HydrophobicContact CZ-CD1 4.48Å
206	S	82.6	Confident	79.4	Confident	16 Å²	16	53 Å²	53	11%	0.112	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.4	170.6	177.3	0	0	0	0	109.5	N195 D208 S209 L210	N195-S206 CarbonylContact O-C 3.58Å; N195-S206 WeakPolarHBondContact O-CA 3.33Å; N195-S206 PolarHBondContact O-OG 3Å; S206-D208 PolarHBondContact O-N 3.14Å; S206-D208 VanDerWaalsContact O-N 3.1Å; S206-S209 PolarHBondContact O-N 3.31Å; S206-S209 PolarHBondContact O-OG 3.4Å; S206-L210 WeakPolarHBondContact O-CB 3.23Å; S206-L210 PolarHBondContact O-N 2.92Å
207	L	80.8	Confident	79.2	Confident	49 Å²	49	59.3 Å²	59.3	26%	0.257	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-24.1	179.2	-63.3	-177.5	0	0	0	112.6	N195 F205 S209 L210 L212 P218	N195-L207 HydrophobicContact CB-CB 4.36Å; N195-L207 PolarHBondContact O-N 3.43Å; F205-L207 HydrophobicContact CD2-CD2 4.35Å; F205-L207 HydrophobicContact CE2-CD2 4.06Å; L207-S209 PolarHBondContact O-N 3.41Å; L207-L210 HydrophobicContact CD2-CD2 4.21Å; L207-L212 HydrophobicContact CD2-CD1 3.77Å; L207-P218 HydrophobicContact CD2-CG 4.1Å
208	D	73.9	Confident	79	Confident	117 Å²	117	59.7 Å²	59.7	63%	0.626	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-13.8	178.8	-56.8	-34.5	0	0	0	113.1	N195 S206	N195-D208 PolarHBondContact ND2-OD1 3Å; S206-D208 PolarHBondContact O-N 3.14Å; S206-D208 VanDerWaalsContact O-N 3.1Å
209	S	67.4	Low	79	Confident	15 Å²	15	61.8 Å²	61.8	11%	0.105	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.3	3.6	-175.6	63.5	0	0	0	0	114.6	S206 L207 R239	S206-S209 PolarHBondContact O-N 3.31Å; S206-S209 PolarHBondContact O-OG 3.4Å; L207-S209 PolarHBondContact O-N 3.41Å; S209-R239 PolarHBondContact OG-NH1 3.17Å; S209-R239 VanDerWaalsContact OG-NH1 3.13Å
210	L	79	Confident	79	Confident	11 Å²	11	65.8 Å²	65.8	6%	0.058	36%	0.362	C	S	.	.			trans	-93.1	123.5	-176	179.5	70.9	0	0	0	109.5	F205 S206 L207 L212 P218 A240 I243	F205-L210 HydrophobicContact CB-CD1 4.24Å; F205-L210 HydrophobicContact CB-CD2 4.14Å; F205-L210 HydrophobicContact CD2-CD2 3.63Å; F205-L210 HydrophobicContact CE2-CD2 4.26Å; F205-L210 HydrophobicContact CG-CD2 4.07Å; S206-L210 WeakPolarHBondContact O-CB 3.23Å; S206-L210 PolarHBondContact O-N 2.92Å; L207-L210 HydrophobicContact CD2-CD2 4.21Å; L210-L212 HydrophobicContact CD2-CD1 4.19Å; L210-L212 HydrophobicContact CD2-CD2 3.67Å; L210-L212 HydrophobicContact CD2-CG 3.94Å; L210-L212 HydrophobicContact CG-CD2 4.13Å; L210-L212 HydrophobicContact CG-CG 4.07Å; L210-L212 PolarHBondContact O-N 3.33Å; L210-P218 HydrophobicContact CD2-CG 4.35Å; L210-A240 HydrophobicContact CD1-CB 3.87Å; L210-I243 HydrophobicContact CD1-CB 4.2Å; L210-I243 HydrophobicContact CD1-CD1 4.11Å; L210-I243 HydrophobicContact CD1-CG1 3.82Å; L210-I243 HydrophobicContact CD2-CB 4.07Å; L210-I243 HydrophobicContact CD2-CD1 3.74Å; L210-I243 HydrophobicContact CD2-CG1 4.07Å; L210-I243 HydrophobicContact CG-CB 4.42Å; L210-I243 HydrophobicContact CG-CG1 4.45Å
211	L	74	Confident	78.4	Confident	118 Å²	118	63.4 Å²	63.4	62%	0.618	36%	0.363	S	S	*	.	B	Isolated β-bridge	trans	-75	114.8	174	-63	171.6	0	0	0	109.7	L241 C242 I243	L211-L241 WeakPolarHBondContact CB-O 3.24Å; L211-L241 PolarHBondContact N-O 3.41Å; L211-C242 HydrophobicContact CB-CB 3.79Å; L211-C242 VanDerWaalsContact O-CA 3.26Å; L211-C242 WeakPolarHBondContact O-CA 3.33Å; L211-C242 WeakPolarHBondContact O-CB 3.25Å; L211-I243 PolarHBondContact O-N 3.48Å; L211-I243 VanDerWaalsContact O-N 3.07Å
212	L	75.8	Confident	78.5	Confident	55 Å²	55	60 Å²	60	29%	0.288	34%	0.344	S	S	.	.			trans	-117.7	145.2	179.7	-67.8	166.7	0	0	0	110.5	L207 L210 Y216 P218 I243	L207-L212 HydrophobicContact CD2-CD1 3.77Å; L210-L212 HydrophobicContact CD2-CD1 4.19Å; L210-L212 HydrophobicContact CD2-CD2 3.67Å; L210-L212 HydrophobicContact CD2-CG 3.94Å; L210-L212 HydrophobicContact CG-CD2 4.13Å; L210-L212 HydrophobicContact CG-CG 4.07Å; L210-L212 PolarHBondContact O-N 3.33Å; L212-Y216 HydrophobicContact CD2-CD1 3.77Å; L212-Y216 HydrophobicContact CD2-CE1 4.09Å; L212-P218 HydrophobicContact CD1-CG 4.31Å; L212-P218 HydrophobicContact CD2-CG 3.69Å; L212-I243 HydrophobicContact CD2-CB 3.95Å; L212-I243 HydrophobicContact CD2-CG2 4.18Å
213	P	73.6	Confident	78.5	Confident	58 Å²	58	60.2 Å²	60.2	38%	0.377	34%	0.341	S	S	.	.			trans	-55.5	148.7	166	-25.3	34.4	0	0	0	111.7	E215 Y216 I243 A244	P213-E215 PolarHBondContact O-N 2.78Å; P213-Y216 PolarHBondContact O-N 2.8Å; P213-Y216 VanDerWaalsContact O-N 3.11Å; P213-I243 WeakPolarHBondContact CD-O 3.35Å; P213-A244 HydrophobicContact CG-CB 4.07Å
214	A	56.1	Low	78.1	Confident	99 Å²	99	60.1 Å²	60.1	82%	0.818	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	131.7	178.3	0	0	0	0	0	110.9	Y216	A214-Y216 VanDerWaalsContact C-N 3.25Å; A214-Y216 PolarHBondContact O-N 2.69Å
215	E	67.1	Low	77.2	Confident	206 Å²	206	61.2 Å²	61.2	96%	0.963	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	1.4	179.8	-51.4	-177.5	174.2	0	0	116.9	P213	P213-E215 PolarHBondContact O-N 2.78Å
216	Y	79.8	Confident	76.7	Confident	36 Å²	36	61.3 Å²	61.3	14%	0.141	35%	0.348	C	S	.	.			trans	-88.2	129.9	176	-179.3	-117.9	0	0	0	112.5	L212 P213 A214 P218 D222 V224 I243 P245	L212-Y216 HydrophobicContact CD2-CD1 3.77Å; L212-Y216 HydrophobicContact CD2-CE1 4.09Å; P213-Y216 PolarHBondContact O-N 2.8Å; P213-Y216 VanDerWaalsContact O-N 3.11Å; A214-Y216 VanDerWaalsContact C-N 3.25Å; A214-Y216 PolarHBondContact O-N 2.69Å; Y216-P218 HydrophobicContact CE1-CB 4.48Å; Y216-P218 HydrophobicContact CE1-CG 4Å; Y216-D222 WeakPolarHBondContact CE2-OD2 3.34Å; Y216-D222 VanDerWaalsContact OH-CB 3.31Å; Y216-D222 WeakPolarHBondContact OH-CB 3.28Å; Y216-D222 PolarHBondContact OH-OD2 2.86Å; Y216-V224 HydrophobicContact CE1-CG1 4.37Å; Y216-V224 VanDerWaalsContact OH-CG1 3.26Å; Y216-V224 WeakPolarHBondContact OH-CG1 3.48Å; Y216-I243 HydrophobicContact CE1-CG2 3.94Å; Y216-P245 HydrophobicContact CD1-CG 4.1Å; Y216-P245 HydrophobicContact CD2-CB 4.17Å; Y216-P245 HydrophobicContact CD2-CG 3.78Å; Y216-P245 HydrophobicContact CE1-CB 4.29Å; Y216-P245 HydrophobicContact CE1-CG 4.23Å; Y216-P245 HydrophobicContact CE2-CB 3.8Å; Y216-P245 HydrophobicContact CE2-CG 3.94Å; Y216-P245 HydrophobicContact CG-CG 3.89Å
217	K	81.7	Confident	76.2	Confident	170 Å²	170	62.7 Å²	62.7	74%	0.739	36%	0.355	S	S	*	.			trans	-121.2	121.8	169	-73	-172.7	178.1	-176.6	0	109.2	S219	K217-S219 PolarHBondContact O-N 3.32Å; K217-S219 PolarHBondContact O-OG 3.28Å
218	P	84.8	Confident	76.3	Confident	11 Å²	11	60.6 Å²	60.6	7%	0.071	34%	0.344	C	S	.	.			trans	-57.9	130.9	178	-24.7	33.2	0	0	0	112.5	V189 F205 L207 L210 L212 Y216 I243	V189-P218 HydrophobicContact CG2-CB 4.37Å; F205-P218 HydrophobicContact CE2-CB 4.11Å; F205-P218 HydrophobicContact CE2-CG 4.14Å; F205-P218 HydrophobicContact CZ-CB 3.84Å; F205-P218 HydrophobicContact CZ-CG 4.32Å; L207-P218 HydrophobicContact CD2-CG 4.1Å; L210-P218 HydrophobicContact CD2-CG 4.35Å; L212-P218 HydrophobicContact CD1-CG 4.31Å; L212-P218 HydrophobicContact CD2-CG 3.69Å; Y216-P218 HydrophobicContact CE1-CB 4.48Å; Y216-P218 HydrophobicContact CE1-CG 4Å; P218-I243 HydrophobicContact CG-CG2 4.41Å
219	S	84.9	Confident	76.5	Confident	54 Å²	54	55.1 Å²	55.1	38%	0.378	32%	0.315	S	S	.	.			trans	-119.3	146.1	176.2	-20.1	0	0	0	0	109.6	V189 K217 G221 D222	V189-S219 WeakPolarHBondContact CB-O 3.16Å; V189-S219 WeakPolarHBondContact CG1-O 3.46Å; K217-S219 PolarHBondContact O-N 3.32Å; K217-S219 PolarHBondContact O-OG 3.28Å; S219-G221 PolarHBondContact O-N 2.65Å; S219-D222 PolarHBondContact N-OD2 2.85Å; S219-D222 WeakPolarHBondContact O-CB 3.42Å; S219-D222 VanDerWaalsContact O-CG 3.31Å; S219-D222 PolarHBondContact O-N 2.65Å; S219-D222 VanDerWaalsContact O-N 3.1Å; S219-D222 PolarHBondContact OG-OD2 2.82Å; S219-D222 VanDerWaalsContact OG-OD2 3.04Å
220	P	84.8	Confident	77.3	Confident	83 Å²	83	56.3 Å²	56.3	54%	0.539	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	126.7	171.4	-22.4	32.9	0	0	0	110.9	V189 V192	V189-P220 CarbonylContact O-C 3.49Å; V189-P220 WeakPolarHBondContact O-CA 3.46Å; V192-P220 HydrophobicContact CB-CG 4.21Å; V192-P220 HydrophobicContact CG2-CG 4.08Å
221	G	72.9	Confident	77.5	Confident	41 Å²	41	55.8 Å²	55.8	42%	0.423	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.3	-10.3	-177.4	0	0	0	0	0	115.4	V189 S219	V189-G221 PolarHBondContact O-N 3.49Å; S219-G221 PolarHBondContact O-N 2.65Å
222	D	83.4	Confident	77.6	Confident	43 Å²	43	53.6 Å²	53.6	23%	0.23	31%	0.31	C	S	.	.			trans	-66.3	133.9	176.3	-70.1	-11.9	0	0	0	111.1	R188 V189 Y216 S219 V224	R188-D222 WeakPolarHBondContact CA-O 3.29Å; V189-D222 HydrophobicContact CB-CB 4.49Å; V189-D222 HydrophobicContact CG2-CB 4.1Å; V189-D222 PolarHBondContact N-O 2.98Å; Y216-D222 WeakPolarHBondContact CE2-OD2 3.34Å; Y216-D222 VanDerWaalsContact OH-CB 3.31Å; Y216-D222 WeakPolarHBondContact OH-CB 3.28Å; Y216-D222 PolarHBondContact OH-OD2 2.86Å; S219-D222 PolarHBondContact N-OD2 2.85Å; S219-D222 WeakPolarHBondContact O-CB 3.42Å; S219-D222 VanDerWaalsContact O-CG 3.31Å; S219-D222 PolarHBondContact O-N 2.65Å; S219-D222 VanDerWaalsContact O-N 3.1Å; S219-D222 PolarHBondContact OG-OD2 2.82Å; S219-D222 VanDerWaalsContact OG-OD2 3.04Å; D222-V224 HydrophobicContact CB-CG1 4.02Å
223	L	81.3	Confident	77.7	Confident	59 Å²	59	52.4 Å²	52.4	31%	0.309	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	120.8	168	-86.8	157.5	0	0	0	108.7	Q186 C246	Q186-L223 HydrophobicContact CB-CD2 4.17Å; Q186-L223 WeakPolarHBondContact O-CD2 3.39Å; L223-C246 HydrophobicContact CB-CB 4.05Å; L223-C246 WeakPolarHBondContact O-CB 3.33Å; L223-C246 PolarHBondContact O-N 3.15Å
224	V	77.9	Confident	77.5	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	150.2	-173.2	-59.4	0	0	0	0	111.7	Q186 V187 V189 V199 Y216 D222 L226 I243 A244	Q186-V224 PolarHBondContact N-O 2.89Å; V187-V224 HydrophobicContact CG2-CG2 4.33Å; V187-V224 WeakPolarHBondContact CG2-O 3.35Å; V187-V224 PolarHBondContact N-O 2.88Å; V187-V224 WeakPolarHBondContact O-CG2 3.33Å; V187-V224 PolarHBondContact O-N 2.98Å; V189-V224 HydrophobicContact CG2-CG1 3.91Å; V189-V224 HydrophobicContact CG2-CG2 3.85Å; V199-V224 HydrophobicContact CG1-CG2 4.18Å; V199-V224 HydrophobicContact CG2-CG2 4.5Å; Y216-V224 HydrophobicContact CE1-CG1 4.37Å; Y216-V224 VanDerWaalsContact OH-CG1 3.26Å; Y216-V224 WeakPolarHBondContact OH-CG1 3.48Å; D222-V224 HydrophobicContact CB-CG1 4.02Å; V224-L226 HydrophobicContact CG2-CD2 4.33Å; V224-I243 HydrophobicContact CB-CG2 3.65Å; V224-I243 HydrophobicContact CG1-CG2 3.66Å; V224-I243 HydrophobicContact CG2-CG2 3.88Å; V224-A244 CarbonylContact C-O 3.6Å; V224-A244 VanDerWaalsContact CA-O 3.27Å; V224-A244 WeakPolarHBondContact CA-O 3.37Å
225	N	70.2	Confident	78.2	Confident	45 Å²	45	58.3 Å²	58.3	24%	0.241	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	136.7	164	-60.8	-34.4	0	0	0	108.1	L184 N185 Q186 I243 A244 C246	L184-N225 CarbonylContact O-C 3.54Å; L184-N225 WeakPolarHBondContact O-CA 3.34Å; N185-N225 WeakPolarHBondContact CA-OD1 3.34Å; N185-N225 VanDerWaalsContact CB-OD1 3.29Å; N185-N225 WeakPolarHBondContact CB-OD1 3.5Å; Q186-N225 PolarHBondContact N-OD1 2.85Å; N225-I243 CarbonylContact O-C 3.56Å; N225-I243 WeakPolarHBondContact O-CA 3.46Å; N225-A244 PolarHBondContact N-O 3Å; N225-A244 PolarHBondContact O-N 3.14Å; N225-C246 PolarHBondContact OD1-SG 3.07Å; N225-C246 VanDerWaalsContact OD1-SG 3.37Å
226	L	78.1	Confident	78.8	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	146.9	-178.4	67	95.4	0	0	0	113.2	R183 L184 V187 V199 V203 V224 M228 A240 C242 I243	R183-L226 CarbonylContact C-O 3.59Å; R183-L226 WeakPolarHBondContact CA-O 3.43Å; L184-L226 HydrophobicContact CB-CD1 4.3Å; L184-L226 HydrophobicContact CB-CG 4.1Å; L184-L226 HydrophobicContact CD1-CD1 4.38Å; L184-L226 PolarHBondContact N-O 2.91Å; L184-L226 PolarHBondContact O-N 2.88Å; V187-L226 HydrophobicContact CG2-CD2 3.43Å; V187-L226 VanDerWaalsContact CG2-CD2 3.43Å; V187-L226 HydrophobicContact CG2-CG 3.99Å; V199-L226 HydrophobicContact CB-CD2 3.68Å; V199-L226 HydrophobicContact CG1-CD2 3.46Å; V199-L226 VanDerWaalsContact CG1-CD2 3.46Å; V199-L226 HydrophobicContact CG2-CD2 3.77Å; V203-L226 HydrophobicContact CG1-CD1 3.98Å; V224-L226 HydrophobicContact CG2-CD2 4.33Å; L226-M228 HydrophobicContact CD1-CB 3.89Å; L226-M228 HydrophobicContact CD1-CG 4.02Å; L226-M228 HydrophobicContact CD1-SD 3.43Å; L226-M228 WeakPolarHBondContact CD1-SD 3.15Å; L226-A240 HydrophobicContact CD1-CB 4.36Å; L226-C242 WeakPolarHBondContact CA-O 3.38Å; L226-C242 WeakPolarHBondContact CB-O 3.38Å; L226-I243 HydrophobicContact CB-CG1 3.78Å
227	V	71.9	Confident	78.9	Confident	44 Å²	44	54.1 Å²	54.1	27%	0.267	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	132	167.9	178.4	0	0	0	0	107.1	S182 R183 A240 L241 C242	S182-V227 WeakPolarHBondContact O-CA 3.27Å; R183-V227 HydrophobicContact CG-CG2 4.36Å; V227-A240 CarbonylContact O-C 3.58Å; V227-L241 PolarHBondContact O-N 3.49Å; V227-C242 WeakPolarHBondContact CB-SG 3.42Å; V227-C242 WeakPolarHBondContact CG2-SG 3.45Å; V227-C242 PolarHBondContact N-O 2.92Å; V227-C242 VanDerWaalsContact N-O 3.13Å; V227-C242 PolarHBondContact O-N 3.09Å
228	M	83.9	Confident	79	Confident	6 Å²	6	49.3 Å²	49.3	3%	0.03	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	155.8	-176.2	64	-72.4	-166.9	0	0	112.1	Y181 S182 L184 V203 L226 W238 R239	Y181-M228 WeakPolarHBondContact CA-O 3.49Å; S182-M228 PolarHBondContact N-O 2.86Å; S182-M228 PolarHBondContact O-N 2.95Å; S182-M228 WeakPolarHBondContact OG-CE 3.17Å; L184-M228 HydrophobicContact CB-CE 4.32Å; L184-M228 HydrophobicContact CD1-CE 3.57Å; L184-M228 HydrophobicContact CD1-SD 4.38Å; L184-M228 HydrophobicContact CD2-CE 4.33Å; L184-M228 HydrophobicContact CG-CE 3.4Å; L184-M228 VanDerWaalsContact CG-CE 3.4Å; L184-M228 HydrophobicContact CG-SD 4.23Å; V203-M228 HydrophobicContact CG1-CB 3.93Å; V203-M228 HydrophobicContact CG1-CG 4.36Å; L226-M228 HydrophobicContact CD1-CB 3.89Å; L226-M228 HydrophobicContact CD1-CG 4.02Å; L226-M228 HydrophobicContact CD1-SD 3.43Å; L226-M228 WeakPolarHBondContact CD1-SD 3.15Å; M228-W238 HydrophobicContact CB-CE3 4.42Å; M228-W238 HydrophobicContact CG-CB 4.24Å; M228-W238 HydrophobicContact CG-CD2 4.24Å; M228-W238 HydrophobicContact CG-CE3 3.71Å; M228-W238 HydrophobicContact CG-CG 4.48Å; M228-W238 HydrophobicContact CG-CZ3 4.45Å; M228-R239 CarbonylContact C-O 3.17Å; M228-R239 WeakPolarHBondContact CA-O 3.5Å; M228-R239 VanDerWaalsContact CB-O 3.23Å; M228-R239 WeakPolarHBondContact CB-O 3.12Å
229	V	77.1	Confident	79.2	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	151.4	176.2	-70.7	0	0	0	0	110.6	Y150 P178 R180 S231 W238 R239 L241	Y150-V229 HydrophobicContact CE2-CG2 4.48Å; P178-V229 HydrophobicContact CB-CB 4.29Å; P178-V229 HydrophobicContact CB-CG1 3.7Å; P178-V229 HydrophobicContact CG-CG1 3.89Å; R180-V229 WeakPolarHBondContact O-CA 3.21Å; V229-S231 PolarHBondContact O-N 2.87Å; V229-W238 VanDerWaalsContact C-CE3 3.45Å; V229-W238 WeakPolarHBondContact O-CA 3.46Å; V229-R239 PolarHBondContact N-O 2.9Å; V229-R239 PolarHBondContact O-N 3.46Å; V229-L241 HydrophobicContact CB-CD1 4.49Å; V229-L241 HydrophobicContact CG1-CD1 3.43Å; V229-L241 VanDerWaalsContact CG1-CD1 3.43Å; V229-L241 HydrophobicContact CG1-CD2 4.42Å; V229-L241 HydrophobicContact CG1-CG 3.92Å; V229-L241 HydrophobicContact CG2-CD1 4.36Å; V229-L241 HydrophobicContact CG2-CD2 3.83Å; V229-L241 HydrophobicContact CG2-CG 3.98Å
230	E	84.7	Confident	79.1	Confident	39 Å²	39	46.3 Å²	46.3	18%	0.182	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	124.4	176.2	-170.6	169.2	-152.9	0	0	109.8	W157 R180 S237 W238	W157-E230 HydrophobicContact CB-CB 4.4Å; W157-E230 HydrophobicContact CB-CG 4.32Å; W157-E230 HydrophobicContact CG-CG 4.33Å; W157-E230 PolarHBondContact N-O 3.41Å; R180-E230 HydrophobicContact CB-CB 4.22Å; R180-E230 VanDerWaalsContact CD-OE2 3.3Å; R180-E230 WeakPolarHBondContact CD-OE2 3.27Å; R180-E230 IonicContact NE-OE2 3.49Å; R180-E230 IonicContact NH1-OE1 3.9Å; R180-E230 PolarHBondContact O-N 2.75Å; E230-S237 WeakPolarHBondContact CA-O 3.26Å; E230-W238 HydrophobicContact CB-CE3 4.38Å; E230-W238 HydrophobicContact CB-CH2 4.41Å; E230-W238 HydrophobicContact CB-CZ3 4.14Å
231	S	83.3	Confident	78.7	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.007	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-156	140.4	-171.7	-167.5	0	0	0	0	109.2	G155 D156 V229 Q233 Y236 S237 W238	G155-S231 CarbonylContact O-C 3.6Å; G155-S231 WeakPolarHBondContact O-CA 3.36Å; G155-S231 PolarHBondContact O-OG 2.88Å; D156-S231 PolarHBondContact N-OG 3.45Å; D156-S231 VanDerWaalsContact OD1-CB 3.27Å; D156-S231 WeakPolarHBondContact OD1-CB 3.36Å; D156-S231 PolarHBondContact OD1-OG 3.02Å; V229-S231 PolarHBondContact O-N 2.87Å; S231-Q233 VanDerWaalsContact C-N 3.29Å; S231-Q233 WeakPolarHBondContact OG-CG 3.21Å; S231-Q233 PolarHBondContact OG-NE2 3.28Å; S231-Q233 VanDerWaalsContact OG-NE2 3.13Å; S231-Y236 CarbonylContact O-C 3.6Å; S231-S237 PolarHBondContact N-O 2.78Å; S231-S237 CarbonylContact O-C 3.58Å; S231-S237 WeakPolarHBondContact O-CA 3.29Å; S231-S237 VanDerWaalsContact O-O 3.1Å; S231-W238 PolarHBondContact O-N 3.46Å
232	C	77	Confident	78.9	Confident	71 Å²	71	43.6 Å²	43.6	48%	0.48	23%	0.23	S	C	.	.			trans	-92.7	20.9	175.1	60.9	0	0	0	0	113.5	G155 Y236	G155-C232 VanDerWaalsContact CA-SG 3.5Å; G155-C232 PolarHBondContact O-N 3.1Å; G155-C232 PolarHBondContact O-SG 3.32Å; C232-Y236 CarbonylContact C-O 3.58Å; C232-Y236 VanDerWaalsContact CA-O 3.31Å; C232-Y236 WeakPolarHBondContact CA-O 3.44Å
233	Q	77	Confident	78.7	Confident	31 Å²	31	41.6 Å²	41.6	15%	0.145	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-67.9	136.2	-178.5	-78.7	178.8	55.3	0	0	112.7	K154 D156 F204 S231 F235 Y236 R239	K154-Q233 VanDerWaalsContact O-CD 3.28Å; K154-Q233 WeakPolarHBondContact O-CG 3.31Å; K154-Q233 PolarHBondContact O-NE2 2.78Å; D156-Q233 PolarHBondContact OD1-NE2 3.14Å; F204-Q233 HydrophobicContact CD1-CB 4.27Å; S231-Q233 VanDerWaalsContact C-N 3.29Å; S231-Q233 WeakPolarHBondContact OG-CG 3.21Å; S231-Q233 PolarHBondContact OG-NE2 3.28Å; S231-Q233 VanDerWaalsContact OG-NE2 3.13Å; Q233-F235 PolarHBondContact O-N 3.36Å; Q233-F235 VanDerWaalsContact O-N 3.1Å; Q233-Y236 PolarHBondContact O-N 3.44Å; Q233-R239 VanDerWaalsContact NE2-CD 3.32Å
234	S	70.1	Confident	78.3	Confident	63 Å²	63	40.6 Å²	40.6	44%	0.441	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	52.9	33.2	173.2	-56.6	0	0	0	0	114.3	F204 Y236	F204-S234 WeakPolarHBondContact CZ-OG 3.45Å; S234-Y236 WeakPolarHBondContact O-CD2 3.47Å; S234-Y236 VanDerWaalsContact O-CE2 3.25Å; S234-Y236 WeakPolarHBondContact O-CE2 3.32Å; S234-Y236 PolarHBondContact O-N 3.06Å
235	F	71.3	Confident	78.1	Confident	217 Å²	217	43.2 Å²	43.2	95%	0.952	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	69.9	5.9	-176.7	-50.1	-80.6	0	0	0	116.2	Q233	Q233-F235 PolarHBondContact O-N 3.36Å; Q233-F235 VanDerWaalsContact O-N 3.1Å
236	Y	78.3	Confident	78.1	Confident	76 Å²	76	42.5 Å²	42.5	30%	0.298	24%	0.235	S	C	.	.			trans	-94.1	158	173.1	-61.8	-81	0	0	0	110.4	V198 D201 F204 S231 C232 Q233 S234	V198-Y236 HydrophobicContact CG1-CE1 4.13Å; V198-Y236 HydrophobicContact CG2-CE2 4.14Å; D201-Y236 WeakPolarHBondContact O-CE1 3.24Å; F204-Y236 HydrophobicContact CB-CD2 3.73Å; F204-Y236 HydrophobicContact CB-CG 4.05Å; F204-Y236 HydrophobicContact CD2-CD2 4.23Å; F204-Y236 HydrophobicContact CD2-CE2 4.41Å; F204-Y236 HydrophobicContact CG-CD2 4.3Å; S231-Y236 CarbonylContact O-C 3.6Å; C232-Y236 CarbonylContact C-O 3.58Å; C232-Y236 VanDerWaalsContact CA-O 3.31Å; C232-Y236 WeakPolarHBondContact CA-O 3.44Å; Q233-Y236 PolarHBondContact O-N 3.44Å; S234-Y236 WeakPolarHBondContact O-CD2 3.47Å; S234-Y236 VanDerWaalsContact O-CE2 3.25Å; S234-Y236 WeakPolarHBondContact O-CE2 3.32Å; S234-Y236 PolarHBondContact O-N 3.06Å
237	S	82.6	Confident	76.8	Confident	78 Å²	78	54.3 Å²	54.3	55%	0.545	28%	0.279	S	S	.	.	S	Bend	trans	-95.6	-4.6	178.4	-59	0	0	0	0	113.1	E230 S231	E230-S237 WeakPolarHBondContact CA-O 3.26Å; S231-S237 PolarHBondContact N-O 2.78Å; S231-S237 CarbonylContact O-C 3.58Å; S231-S237 WeakPolarHBondContact O-CA 3.29Å; S231-S237 VanDerWaalsContact O-O 3.1Å
238	W	84.4	Confident	75.1	Confident	70 Å²	70	60.5 Å²	60.5	27%	0.265	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	136.9	-178.3	-64.2	96	0	0	0	111	R180 V203 F204 M228 V229 E230 S231	R180-W238 HydrophobicContact CB-CH2 4.23Å; R180-W238 HydrophobicContact CB-CZ3 4.48Å; V203-W238 HydrophobicContact CB-CB 4.46Å; V203-W238 HydrophobicContact CG1-CB 4.19Å; V203-W238 HydrophobicContact CG2-CB 4.08Å; F204-W238 PolarHBondContact N-O 3.24Å; M228-W238 HydrophobicContact CB-CE3 4.42Å; M228-W238 HydrophobicContact CG-CB 4.24Å; M228-W238 HydrophobicContact CG-CD2 4.24Å; M228-W238 HydrophobicContact CG-CE3 3.71Å; M228-W238 HydrophobicContact CG-CG 4.48Å; M228-W238 HydrophobicContact CG-CZ3 4.45Å; V229-W238 VanDerWaalsContact C-CE3 3.45Å; V229-W238 WeakPolarHBondContact O-CA 3.46Å; E230-W238 HydrophobicContact CB-CE3 4.38Å; E230-W238 HydrophobicContact CB-CH2 4.41Å; E230-W238 HydrophobicContact CB-CZ3 4.14Å; S231-W238 PolarHBondContact O-N 3.46Å
239	R	87.7	Confident	72.6	Confident	1 Å²	1	65.7 Å²	65.7	0%	0.004	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.4	169.7	179.3	178.5	71.5	95.3	-3.5	110.9	E151 M153 D156 F204 S209 M228 V229 Q233	E151-R239 PolarHBondContact O-NH2 2.88Å; E151-R239 VanDerWaalsContact O-NH2 3.09Å; M153-R239 VanDerWaalsContact CG-CZ 3.46Å; D156-R239 IonicContact OD1-NE 3.77Å; D156-R239 PolarHBondContact OD1-NE 2.85Å; D156-R239 IonicContact OD1-NH2 3.47Å; D156-R239 IonicContact OD2-CZ 2.63Å; D156-R239 IonicContact OD2-NE 2.96Å; D156-R239 IonicContact OD2-NH2 3.38Å; D156-R239 PolarHBondContact OD2-NH2 3.1Å; F204-R239 CarbonylContact O-C 3.33Å; F204-R239 WeakPolarHBondContact O-CA 3.24Å; S209-R239 PolarHBondContact OG-NH1 3.17Å; S209-R239 VanDerWaalsContact OG-NH1 3.13Å; M228-R239 CarbonylContact C-O 3.17Å; M228-R239 WeakPolarHBondContact CA-O 3.5Å; M228-R239 VanDerWaalsContact CB-O 3.23Å; M228-R239 WeakPolarHBondContact CB-O 3.12Å; V229-R239 PolarHBondContact N-O 2.9Å; V229-R239 PolarHBondContact O-N 3.46Å; Q233-R239 VanDerWaalsContact NE2-CD 3.32Å
240	A	83.7	Confident	70.2	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	131.4	174.2	0	0	0	0	0	111.5	V203 F204 F205 L210 L226 V227 I243	V203-A240 HydrophobicContact CG1-CB 4.01Å; F204-A240 PolarHBondContact O-N 3.2Å; F205-A240 HydrophobicContact CB-CB 3.85Å; L210-A240 HydrophobicContact CD1-CB 3.87Å; L226-A240 HydrophobicContact CD1-CB 4.36Å; V227-A240 CarbonylContact O-C 3.58Å; A240-I243 HydrophobicContact CB-CD1 4.26Å; A240-I243 HydrophobicContact CB-CG1 4.22Å
241	L	75.7	Confident	67.7	Low	28 Å²	28	79.4 Å²	79.4	15%	0.147	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-37.5	170.5	-66.9	-176.1	0	0	0	111.9	Y150 L211 V227 V229	Y150-L241 HydrophobicContact CD2-CD1 4.45Å; Y150-L241 HydrophobicContact CD2-CD2 4.37Å; Y150-L241 HydrophobicContact CE2-CD2 4.44Å; L211-L241 WeakPolarHBondContact CB-O 3.24Å; L211-L241 PolarHBondContact N-O 3.41Å; V227-L241 PolarHBondContact O-N 3.49Å; V229-L241 HydrophobicContact CB-CD1 4.49Å; V229-L241 HydrophobicContact CG1-CD1 3.43Å; V229-L241 VanDerWaalsContact CG1-CD1 3.43Å; V229-L241 HydrophobicContact CG1-CD2 4.42Å; V229-L241 HydrophobicContact CG1-CG 3.92Å; V229-L241 HydrophobicContact CG2-CD1 4.36Å; V229-L241 HydrophobicContact CG2-CD2 3.83Å; V229-L241 HydrophobicContact CG2-CG 3.98Å
242	C	76.4	Confident	65	Low	39 Å²	39	89 Å²	89	26%	0.264	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	149.2	175.8	74.8	0	0	0	0	111.5	L211 L226 V227	L211-C242 HydrophobicContact CB-CB 3.79Å; L211-C242 VanDerWaalsContact O-CA 3.26Å; L211-C242 WeakPolarHBondContact O-CA 3.33Å; L211-C242 WeakPolarHBondContact O-CB 3.25Å; L226-C242 WeakPolarHBondContact CA-O 3.38Å; L226-C242 WeakPolarHBondContact CB-O 3.38Å; V227-C242 WeakPolarHBondContact CB-SG 3.42Å; V227-C242 WeakPolarHBondContact CG2-SG 3.45Å; V227-C242 PolarHBondContact N-O 2.92Å; V227-C242 VanDerWaalsContact N-O 3.13Å; V227-C242 PolarHBondContact O-N 3.09Å
243	I	79.5	Confident	62.7	Low	1 Å²	1	90 Å²	90	1%	0.005	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	130.8	175.6	-76.3	-179.9	0	0	0	107.8	V199 F205 L210 L211 L212 P213 Y216 P218 V224 N225 L226 A240	V199-I243 HydrophobicContact CG2-CD1 3.85Å; F205-I243 HydrophobicContact CB-CD1 4.18Å; F205-I243 HydrophobicContact CD1-CD1 3.68Å; F205-I243 HydrophobicContact CD2-CD1 4.37Å; F205-I243 HydrophobicContact CE1-CD1 4.02Å; F205-I243 HydrophobicContact CG-CD1 3.84Å; F205-I243 HydrophobicContact CZ-CD1 4.48Å; L210-I243 HydrophobicContact CD1-CB 4.2Å; L210-I243 HydrophobicContact CD1-CD1 4.11Å; L210-I243 HydrophobicContact CD1-CG1 3.82Å; L210-I243 HydrophobicContact CD2-CB 4.07Å; L210-I243 HydrophobicContact CD2-CD1 3.74Å; L210-I243 HydrophobicContact CD2-CG1 4.07Å; L210-I243 HydrophobicContact CG-CB 4.42Å; L210-I243 HydrophobicContact CG-CG1 4.45Å; L211-I243 PolarHBondContact O-N 3.48Å; L211-I243 VanDerWaalsContact O-N 3.07Å; L212-I243 HydrophobicContact CD2-CB 3.95Å; L212-I243 HydrophobicContact CD2-CG2 4.18Å; P213-I243 WeakPolarHBondContact CD-O 3.35Å; Y216-I243 HydrophobicContact CE1-CG2 3.94Å; P218-I243 HydrophobicContact CG-CG2 4.41Å; V224-I243 HydrophobicContact CB-CG2 3.65Å; V224-I243 HydrophobicContact CG1-CG2 3.66Å; V224-I243 HydrophobicContact CG2-CG2 3.88Å; N225-I243 CarbonylContact O-C 3.56Å; N225-I243 WeakPolarHBondContact O-CA 3.46Å; L226-I243 HydrophobicContact CB-CG1 3.78Å; A240-I243 HydrophobicContact CB-CD1 4.26Å; A240-I243 HydrophobicContact CB-CG1 4.22Å
244	A	74.1	Confident	60.9	Low	38 Å²	38	93.4 Å²	93.4	31%	0.314	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	131.5	175.1	0	0	0	0	0	110.8	P213 V224 N225	P213-A244 HydrophobicContact CG-CB 4.07Å; V224-A244 CarbonylContact C-O 3.6Å; V224-A244 VanDerWaalsContact CA-O 3.27Å; V224-A244 WeakPolarHBondContact CA-O 3.37Å; N225-A244 PolarHBondContact N-O 3Å; N225-A244 PolarHBondContact O-N 3.14Å
245	P	73.9	Confident	59	Low	56 Å²	56	98.6 Å²	98.6	36%	0.364	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	137.1	-178.1	28.6	-31.7	0	0	0	111.5	Y216 R247	Y216-P245 HydrophobicContact CD1-CG 4.1Å; Y216-P245 HydrophobicContact CD2-CB 4.17Å; Y216-P245 HydrophobicContact CD2-CG 3.78Å; Y216-P245 HydrophobicContact CE1-CB 4.29Å; Y216-P245 HydrophobicContact CE1-CG 4.23Å; Y216-P245 HydrophobicContact CE2-CB 3.8Å; Y216-P245 HydrophobicContact CE2-CG 3.94Å; Y216-P245 HydrophobicContact CG-CG 3.89Å; P245-R247 PolarHBondContact O-N 3.32Å
246	C	70	Confident	57.2	Low	30 Å²	30	93.7 Å²	93.7	20%	0.203	51%	0.509	C	S	.	.			trans	-72.4	119	170.6	-59.4	0	0	0	0	108.3	L223 N225 Q248	L223-C246 HydrophobicContact CB-CB 4.05Å; L223-C246 WeakPolarHBondContact O-CB 3.33Å; L223-C246 PolarHBondContact O-N 3.15Å; N225-C246 PolarHBondContact OD1-SG 3.07Å; N225-C246 VanDerWaalsContact OD1-SG 3.37Å; C246-Q248 PolarHBondContact O-N 3.42Å
247	R	49.6	Very low	55	Low	250 Å²	250	95.4 Å²	95.4	94%	0.943	52%	0.523	S	S	*	.			trans	-62.9	110.2	173.9	-69.8	-175.3	177	-172.7	-0.8	108.7	P245 S249	P245-R247 PolarHBondContact O-N 3.32Å; R247-S249 PolarHBondContact O-N 3.3Å; R247-S249 VanDerWaalsContact O-N 3.12Å
248	Q	36.7	Very low	53.3	Low	174 Å²	174	96.6 Å²	96.6	81%	0.813	52%	0.522	S	S	*	.			trans	-64.8	109.9	172.5	-79.5	178.5	-11.9	0	0	109.3	C246	C246-Q248 PolarHBondContact O-N 3.42Å
249	S	31.5	Very low	51.4	Low	114 Å²	114	99.4 Å²	99.4	80%	0.797	54%	0.538	S	S	*	.			trans	-87	121.2	157.5	169	0	0	0	0	107.2	R247	R247-S249 PolarHBondContact O-N 3.3Å; R247-S249 VanDerWaalsContact O-N 3.12Å
250	M	26.6	Very low	49.6	Very low	174 Å²	174	102.1 Å²	102.1	86%	0.857	56%	0.561	S	S	*	*			trans	-56.3	137	173.8	-75	-103.5	-168.3	0	0	111.3
251	N	31.6	Very low	48.2	Very low	156 Å²	156	107.8 Å²	107.8	83%	0.834	59%	0.588	S	S	*	*			trans	-32.4	127.6	173.3	-70.4	-21.1	0	0	0	115.5
252	F	27.6	Very low	47.5	Very low	203 Å²	203	107.6 Å²	107.6	89%	0.89	59%	0.586	S	S	*	*			trans	-138.6	147.3	144.3	-92.4	-82	0	0	0	110.6
253	A	28.2	Very low	46.9	Very low	91 Å²	91	109.1 Å²	109.1	75%	0.752	59%	0.592	S	S	*	*			trans	-56.2	152.6	-174.2	0	0	0	0	0	113.9	E255	A253-E255 PolarHBondContact O-N 2.96Å
254	A	39.4	Very low	46.5	Very low	103 Å²	103	114.2 Å²	114.2	85%	0.851	62%	0.616	S	S	*	*			trans	-69.1	113	-176.8	0	0	0	0	0	113
255	E	29.5	Very low	46.5	Very low	172 Å²	172	114.4 Å²	114.4	80%	0.804	61%	0.611	S	S	*	*	S	Bend	trans	-170.8	170.5	149.5	-113.2	179.5	-161.4	0	0	108.9	A253 L257	A253-E255 PolarHBondContact O-N 2.96Å; E255-L257 PolarHBondContact O-N 3.12Å
256	P	33.6	Very low	46.7	Very low	113 Å²	113	113.5 Å²	113.5	73%	0.734	60%	0.603	S	S	*	*	S	Bend		-63	100.2	-119.7	37.6	-24.2	0	0	0	115.5
257	L	33.4	Very low	47.2	Very low	113 Å²	113	117.3 Å²	117.3	59%	0.592	62%	0.618	S	S	*	*			trans	-103	-22.9	-177.4	-80.8	158.2	0	0	0	115.1	E255 E259 E261	E255-L257 PolarHBondContact O-N 3.12Å; L257-E259 PolarHBondContact O-N 3.17Å; L257-E261 WeakPolarHBondContact O-CG 3.37Å; L257-E261 PolarHBondContact O-N 2.91Å
258	L	46.8	Very low	48.8	Very low	103 Å²	103	108.6 Å²	108.6	54%	0.539	59%	0.59	S	S	.	*	H	α-helix	trans	-74.9	-30.7	-172.5	-141.9	88.6	0	0	0	114	E261 L262	L258-E261 PolarHBondContact O-N 2.75Å; L258-L262 PolarHBondContact O-N 3.44Å
259	E	43.3	Very low	51	Low	128 Å²	128	101.9 Å²	101.9	60%	0.598	56%	0.558	S	S	*	*	H	α-helix	trans	-73.3	-36.8	178.9	-168.2	166.1	-159.9	0	0	111.2	L257 E261 L262 N263	L257-E259 PolarHBondContact O-N 3.17Å; E259-E261 VanDerWaalsContact C-N 3.34Å; E259-L262 PolarHBondContact O-N 2.9Å; E259-N263 VanDerWaalsContact O-CB 3.24Å; E259-N263 WeakPolarHBondContact O-CB 3.3Å; E259-N263 PolarHBondContact O-N 3.12Å; E259-N263 PolarHBondContact O-ND2 3.41Å; E259-N263 VanDerWaalsContact O-ND2 3.14Å
260	A	50.7	Low	53.2	Low	58 Å²	58	98.5 Å²	98.5	48%	0.479	54%	0.541	S	S	.	.	H	α-helix	trans	-63.7	-39.4	170.9	0	0	0	0	0	111.5	H264	A260-H264 WeakPolarHBondContact O-CB 3.48Å; A260-H264 PolarHBondContact O-N 3.49Å
261	E	54.9	Low	55.6	Low	120 Å²	120	92 Å²	92	56%	0.561	52%	0.519	S	S	*	.	H	α-helix	trans	-68	-41	176.2	-73.6	179.3	168.2	0	0	113.1	L257 L258 E259 L265	L257-E261 WeakPolarHBondContact O-CG 3.37Å; L257-E261 PolarHBondContact O-N 2.91Å; L258-E261 PolarHBondContact O-N 2.75Å; E259-E261 VanDerWaalsContact C-N 3.34Å; E261-L265 WeakPolarHBondContact O-CB 3.32Å; E261-L265 PolarHBondContact O-N 3.28Å
262	L	60.4	Low	58.2	Low	23 Å²	23	84.7 Å²	84.7	12%	0.12	48%	0.48	C	S	.	.	H	α-helix	trans	-69.5	-40.7	175.6	-175.8	63.7	0	0	0	111.5	L258 E259 L265 L266 L401	L258-L262 PolarHBondContact O-N 3.44Å; E259-L262 PolarHBondContact O-N 2.9Å; L262-L265 HydrophobicContact CD1-CD2 4.29Å; L262-L265 WeakPolarHBondContact O-CB 3.1Å; L262-L265 PolarHBondContact O-N 3.44Å; L262-L265 VanDerWaalsContact O-N 3.14Å; L262-L266 HydrophobicContact CG-CD1 4.25Å; L262-L266 VanDerWaalsContact O-CG 3.26Å; L262-L266 WeakPolarHBondContact O-CG 3.3Å; L262-L266 PolarHBondContact O-N 3.32Å; L262-L401 HydrophobicContact CD1-CD2 4.21Å
263	N	63.9	Low	60.8	Low	72 Å²	72	78 Å²	78	39%	0.385	45%	0.454	S	S	.	.	H	α-helix	trans	-64.3	-44.4	175.4	-71.1	-21.9	0	0	0	110.6	E259 L265 L266 E267	E259-N263 VanDerWaalsContact O-CB 3.24Å; E259-N263 WeakPolarHBondContact O-CB 3.3Å; E259-N263 PolarHBondContact O-N 3.12Å; E259-N263 PolarHBondContact O-ND2 3.41Å; E259-N263 VanDerWaalsContact O-ND2 3.14Å; N263-L265 VanDerWaalsContact C-N 3.27Å; N263-L265 PolarHBondContact O-N 2.94Å; N263-L266 PolarHBondContact O-N 3.43Å; N263-L266 VanDerWaalsContact O-N 3.08Å; N263-E267 WeakPolarHBondContact O-CG 3.4Å; N263-E267 PolarHBondContact O-N 2.97Å
264	H	69.7	Low	63.4	Low	108 Å²	108	73.7 Å²	73.7	50%	0.5	42%	0.418	S	S	.	.	H	α-helix	trans	-59.5	-38.3	171.3	-177.8	-107.2	0	0	0	111.3	A260 L266 E267 K269	A260-H264 WeakPolarHBondContact O-CB 3.48Å; A260-H264 PolarHBondContact O-N 3.49Å; H264-L266 VanDerWaalsContact C-N 3.34Å; H264-L266 PolarHBondContact O-N 3.27Å; H264-E267 IonicContact CD2-OE2 3.96Å; H264-E267 PolarHBondContact O-N 3.06Å; H264-K269 PolarHBondContact ND1-NZ 2.73Å; H264-K269 WeakPolarHBondContact O-CE 3.38Å; H264-K269 PolarHBondContact O-NZ 3.06Å
265	L	75.6	Confident	65.3	Low	41 Å²	41	70.1 Å²	70.1	22%	0.215	39%	0.386	C	S	.	.	H	α-helix	trans	-63.4	-37.8	174.8	-170.8	70	0	0	0	112.3	E261 L262 N263 E267 L401 L403 T410 G412	E261-L265 WeakPolarHBondContact O-CB 3.32Å; E261-L265 PolarHBondContact O-N 3.28Å; L262-L265 HydrophobicContact CD1-CD2 4.29Å; L262-L265 WeakPolarHBondContact O-CB 3.1Å; L262-L265 PolarHBondContact O-N 3.44Å; L262-L265 VanDerWaalsContact O-N 3.14Å; N263-L265 VanDerWaalsContact C-N 3.27Å; N263-L265 PolarHBondContact O-N 2.94Å; L265-E267 VanDerWaalsContact C-N 3.34Å; L265-L401 HydrophobicContact CD2-CD2 3.9Å; L265-L403 HydrophobicContact CD2-CD2 3.87Å; L265-T410 HydrophobicContact CD1-CG2 3.96Å; L265-G412 PolarHBondContact O-N 2.98Å
266	L	77.5	Confident	66.8	Low	38 Å²	38	67.5 Å²	67.5	20%	0.199	38%	0.378	C	S	.	.	H	α-helix	trans	-78.3	-15.3	-179.4	-64.7	170.9	0	0	0	113.4	L262 N263 H264 L401 G412 R413 R414	L262-L266 HydrophobicContact CG-CD1 4.25Å; L262-L266 VanDerWaalsContact O-CG 3.26Å; L262-L266 WeakPolarHBondContact O-CG 3.3Å; L262-L266 PolarHBondContact O-N 3.32Å; N263-L266 PolarHBondContact O-N 3.43Å; N263-L266 VanDerWaalsContact O-N 3.08Å; H264-L266 VanDerWaalsContact C-N 3.34Å; H264-L266 PolarHBondContact O-N 3.27Å; L266-L401 HydrophobicContact CD2-CD1 3.89Å; L266-G412 WeakPolarHBondContact CD2-O 3.27Å; L266-R413 PolarHBondContact O-NH1 3.3Å; L266-R414 HydrophobicContact CD2-CG 4Å
267	E	80.3	Confident	68.3	Low	109 Å²	109	71.2 Å²	71.2	51%	0.509	38%	0.379	S	S	.	.	S	Bend	trans	-70.9	144.7	176.5	-76.7	167.7	-168.9	0	0	112.8	N263 H264 L265	N263-E267 WeakPolarHBondContact O-CG 3.4Å; N263-E267 PolarHBondContact O-N 2.97Å; H264-E267 IonicContact CD2-OE2 3.96Å; H264-E267 PolarHBondContact O-N 3.06Å; L265-E267 VanDerWaalsContact C-N 3.34Å
268	N	83.7	Confident	69.8	Low	68 Å²	68	66 Å²	66	36%	0.364	35%	0.352	S	S	.	.			trans	-63.1	138.2	166.7	-80	-25.6	0	0	0	110.3	I272 D273 V274 R413	N268-I272 VanDerWaalsContact CB-O 3.29Å; N268-I272 WeakPolarHBondContact CB-O 3.39Å; N268-I272 PolarHBondContact OD1-O 2.91Å; N268-D273 PolarHBondContact ND2-OD1 3.36Å; N268-V274 PolarHBondContact OD1-N 2.93Å; N268-V274 VanDerWaalsContact OD1-N 3.1Å; N268-R413 PolarHBondContact OD1-NH2 2.74Å
269	K	83.6	Confident	71.2	Confident	32 Å²	32	67.6 Å²	67.6	14%	0.139	36%	0.357	C	S	.	.			trans	-137.1	154.1	-174.2	-69.6	173.3	-170	157.9	0	111.6	H264 G271 I272 F409 T410 I411	H264-K269 PolarHBondContact ND1-NZ 2.73Å; H264-K269 WeakPolarHBondContact O-CE 3.38Å; H264-K269 PolarHBondContact O-NZ 3.06Å; K269-G271 PolarHBondContact O-N 3.25Å; K269-I272 WeakPolarHBondContact O-CB 3.42Å; K269-I272 PolarHBondContact O-N 3.46Å; K269-F409 HydrophobicContact CB-CD1 4.47Å; K269-F409 HydrophobicContact CB-CD2 3.55Å; K269-F409 HydrophobicContact CB-CE2 3.78Å; K269-F409 HydrophobicContact CB-CG 3.94Å; K269-F409 HydrophobicContact CB-CZ 4.34Å; K269-F409 HydrophobicContact CD-CB 4.18Å; K269-F409 HydrophobicContact CD-CD2 4.22Å; K269-F409 HydrophobicContact CD-CG 4.41Å; K269-F409 WeakPolarHBondContact O-CE2 3.33Å; K269-F409 VanDerWaalsContact O-CZ 3.28Å; K269-F409 WeakPolarHBondContact O-CZ 3.44Å; K269-T410 PolarHBondContact NZ-O 2.69Å; K269-T410 VanDerWaalsContact NZ-O 3.1Å; K269-I411 HydrophobicContact CB-CD1 4.41Å; K269-I411 HydrophobicContact CB-CG1 4.27Å
270	G	76.7	Confident	73	Confident	43 Å²	43	62.2 Å²	62.2	44%	0.443	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	28.6	171.9	0	0	0	0	0	114.9	I272	G270-I272 PolarHBondContact O-N 3.3Å
271	G	76.3	Confident	74.3	Confident	38 Å²	38	61.2 Å²	61.2	39%	0.392	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	5.4	-175.6	0	0	0	0	0	114.3	K269 N298 G299	K269-G271 PolarHBondContact O-N 3.25Å; G271-N298 CarbonylContact O-C 3.49Å; G271-N298 WeakPolarHBondContact O-CA 3.1Å; G271-N298 PolarHBondContact O-N 2.78Å; G271-G299 PolarHBondContact O-N 3.49Å
272	I	85.9	Confident	75.6	Confident	3 Å²	3	62.1 Å²	62.1	2%	0.015	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	123.2	177.2	-61.1	-71.3	0	0	0	109.8	N268 K269 G270 V274 I295 Q296 N297 Q303 F406 F409 I411	N268-I272 VanDerWaalsContact CB-O 3.29Å; N268-I272 WeakPolarHBondContact CB-O 3.39Å; N268-I272 PolarHBondContact OD1-O 2.91Å; K269-I272 WeakPolarHBondContact O-CB 3.42Å; K269-I272 PolarHBondContact O-N 3.46Å; G270-I272 PolarHBondContact O-N 3.3Å; I272-V274 HydrophobicContact CG2-CG2 3.94Å; I272-I295 HydrophobicContact CG2-CG2 3.49Å; I272-I295 VanDerWaalsContact CG2-CG2 3.49Å; I272-Q296 CarbonylContact C-O 3.5Å; I272-Q296 WeakPolarHBondContact CA-O 3.45Å; I272-N297 HydrophobicContact CD1-CB 3.59Å; I272-Q303 HydrophobicContact CD1-CB 3.65Å; I272-Q303 HydrophobicContact CD1-CG 3.76Å; I272-Q303 HydrophobicContact CG1-CB 4Å; I272-Q303 HydrophobicContact CG1-CG 3.81Å; I272-F406 HydrophobicContact CD1-CE1 4.37Å; I272-F406 HydrophobicContact CG1-CE1 4.25Å; I272-F406 HydrophobicContact CG2-CE1 4.22Å; I272-F406 HydrophobicContact CG2-CE2 4.39Å; I272-F406 HydrophobicContact CG2-CZ 3.78Å; I272-F409 HydrophobicContact CB-CZ 4.47Å; I272-F409 HydrophobicContact CG1-CZ 4.01Å; I272-I411 HydrophobicContact CB-CD1 4.09Å; I272-I411 HydrophobicContact CG2-CD1 3.98Å
273	D	83.4	Confident	76.7	Confident	63 Å²	63	61.8 Å²	61.8	34%	0.337	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	117.2	173.6	-172.8	15.4	0	0	0	109.9	N268 Q296	N268-D273 PolarHBondContact ND2-OD1 3.36Å; D273-Q296 PolarHBondContact N-O 3.08Å; D273-Q296 PolarHBondContact O-N 3.47Å
274	V	82.8	Confident	77.8	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.7	176.8	-174.9	0	0	0	0	109.1	N268 I272 D276 W294 I295 L404 I411 R413	N268-V274 PolarHBondContact OD1-N 2.93Å; N268-V274 VanDerWaalsContact OD1-N 3.1Å; I272-V274 HydrophobicContact CG2-CG2 3.94Å; V274-D276 PolarHBondContact O-N 2.87Å; V274-W294 WeakPolarHBondContact CA-O 3.39Å; V274-I295 HydrophobicContact CG1-CG1 4.33Å; V274-I295 HydrophobicContact CG2-CG1 4.22Å; V274-I295 HydrophobicContact CG2-CG2 4.35Å; V274-L404 HydrophobicContact CB-CD1 4.42Å; V274-L404 HydrophobicContact CG1-CD1 3.74Å; V274-L404 HydrophobicContact CG2-CD1 3.89Å; V274-I411 HydrophobicContact CG2-CD1 4.08Å; V274-I411 HydrophobicContact CG2-CG2 4.14Å; V274-R413 HydrophobicContact CG1-CG 3.83Å; V274-R413 PolarHBondContact O-NE 3.42Å; V274-R413 PolarHBondContact O-NH2 3.15Å
275	S	79.3	Confident	78.5	Confident	27 Å²	27	60.5 Å²	60.5	19%	0.189	33%	0.329	C	S	.	.			trans	-51.8	136.1	-178.8	58	0	0	0	0	113.5	W294	S275-W294 PolarHBondContact N-O 3.23Å; S275-W294 PolarHBondContact OG-N 3.24Å
276	D	61.8	Low	78.9	Confident	117 Å²	117	61 Å²	61	63%	0.626	34%	0.344	S	S	*	.	S	Bend	trans	-84.5	-6.9	-173	-64.4	-31.8	0	0	0	115.2	V274 G278 R413	V274-D276 PolarHBondContact O-N 2.87Å; D276-G278 VanDerWaalsContact C-N 3.27Å; D276-G278 PolarHBondContact O-N 3.1Å; D276-R413 IonicContact OD1-CZ 2.69Å; D276-R413 IonicContact OD1-NE 2.94Å; D276-R413 IonicContact OD1-NH2 3.58Å; D276-R413 PolarHBondContact OD1-NH2 3.09Å
277	Y	63.5	Low	79.3	Confident	191 Å²	191	63.7 Å²	63.7	75%	0.749	36%	0.356	S	S	*	.			trans	-83.1	55.9	-172.7	-56.3	-75.6	0	0	0	113.7	Q279	Y277-Q279 PolarHBondContact O-N 2.95Å
278	G	65.1	Low	79.7	Confident	4 Å²	4	66 Å²	66	4%	0.041	36%	0.359	C	S	.	.			trans	-67.7	19.8	175.7	0	0	0	0	0	115.5	D276 L415 L416	D276-G278 VanDerWaalsContact C-N 3.27Å; D276-G278 PolarHBondContact O-N 3.1Å; G278-L415 CarbonylContact O-C 3.56Å; G278-L415 VanDerWaalsContact O-CA 3.28Å; G278-L415 WeakPolarHBondContact O-CA 3.3Å; G278-L416 PolarHBondContact O-N 3.31Å
279	Q	76.4	Confident	79.9	Confident	137 Å²	137	64.6 Å²	64.6	64%	0.64	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	115	-173.9	-65	-179.8	-8.3	0	0	110.5	Y277 G281 L416	Y277-Q279 PolarHBondContact O-N 2.95Å; Q279-G281 PolarHBondContact O-N 2.93Å; Q279-L416 HydrophobicContact CG-CB 4.36Å; Q279-L416 HydrophobicContact CG-CD2 4.47Å
280	F	82.6	Confident	80.2	Confident	15 Å²	15	67.7 Å²	67.7	7%	0.066	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-14.5	173.5	-77	-97.1	0	0	0	112.9	C289 L291 F319 I388 C390 L415 L416 V417	F280-C289 HydrophobicContact CD1-CB 4.1Å; F280-L291 HydrophobicContact CD1-CB 4.13Å; F280-L291 HydrophobicContact CE1-CB 3.56Å; F280-L291 HydrophobicContact CE2-CB 4.04Å; F280-L291 HydrophobicContact CE2-CD2 4.22Å; F280-L291 HydrophobicContact CZ-CB 3.51Å; F280-L291 HydrophobicContact CZ-CD2 4.45Å; F280-F319 HydrophobicContact CD2-CD1 4.45Å; F280-F319 AromaticContact CD2-CE1 3.74Å; F280-F319 HydrophobicContact CD2-CE1 3.74Å; F280-F319 AromaticContact CE2-CD1 3.84Å; F280-F319 HydrophobicContact CE2-CD1 3.84Å; F280-F319 AromaticContact CE2-CE1 3.56Å; F280-F319 HydrophobicContact CE2-CE1 3.56Å; F280-F319 HydrophobicContact CZ-CD1 4.16Å; F280-F319 HydrophobicContact CZ-CE1 4.24Å; F280-I388 WeakPolarHBondContact CE1-O 3.19Å; F280-I388 HydrophobicContact CE2-CG2 4.48Å; F280-I388 HydrophobicContact CZ-CB 4.09Å; F280-I388 HydrophobicContact CZ-CG2 3.86Å; F280-I388 WeakPolarHBondContact CZ-O 3.4Å; F280-C390 HydrophobicContact CD1-CB 3.48Å; F280-C390 VanDerWaalsContact CD1-CB 3.48Å; F280-C390 HydrophobicContact CD2-CB 4.35Å; F280-C390 HydrophobicContact CE1-CB 3.45Å; F280-C390 VanDerWaalsContact CE1-CB 3.45Å; F280-C390 HydrophobicContact CE2-CB 4.34Å; F280-C390 HydrophobicContact CG-CB 3.94Å; F280-C390 HydrophobicContact CZ-CB 3.91Å; F280-L415 HydrophobicContact CE2-CB 4.41Å; F280-L415 HydrophobicContact CE2-CD2 4.38Å; F280-L416 PolarHBondContact N-O 2.87Å; F280-V417 HydrophobicContact CB-CB 3.99Å; F280-V417 HydrophobicContact CB-CG2 3.86Å
281	G	77.7	Confident	80.6	Confident	36 Å²	36	67 Å²	67	37%	0.371	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	77.6	-156.5	-175.4	0	0	0	0	0	112.8	Q279 T418	Q279-G281 PolarHBondContact O-N 2.93Å; G281-T418 PolarHBondContact O-N 3.12Å; G281-T418 VanDerWaalsContact O-N 3.1Å
282	D	81.3	Confident	81	Confident	139 Å²	139	68.3 Å²	68.3	74%	0.743	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	121.7	178.9	-58.8	-35.5	0	0	0	110.1	T418	D282-T418 CarbonylContact C-O 3.54Å; D282-T418 WeakPolarHBondContact CA-O 3.43Å; D282-T418 WeakPolarHBondContact OD1-CB 3.47Å
283	L	84.6	Confident	81	Confident	17 Å²	17	68.2 Å²	68.2	9%	0.089	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	146.9	175	-60.7	-178	0	0	0	110.4	C289 C390 A392 V417 T418 V419 G420	L283-C289 HydrophobicContact CD1-CB 3.73Å; L283-C289 HydrophobicContact CD2-CB 3.63Å; L283-C289 HydrophobicContact CG-CB 4.33Å; L283-C390 HydrophobicContact CD1-CB 4.42Å; L283-A392 HydrophobicContact CB-CB 4.14Å; L283-V417 HydrophobicContact CB-CG2 4.44Å; L283-V417 HydrophobicContact CD1-CG2 3.7Å; L283-V417 HydrophobicContact CG-CG2 3.99Å; L283-T418 PolarHBondContact N-O 3.32Å; L283-V419 CarbonylContact O-C 3.49Å; L283-V419 VanDerWaalsContact O-CA 3.27Å; L283-V419 WeakPolarHBondContact O-CA 3.47Å; L283-G420 PolarHBondContact O-N 3.15Å
284	M	85.8	Confident	81.1	Confident	79 Å²	79	69.4 Å²	69.4	39%	0.389	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	148.6	170	-61.7	-65.6	175.4	0	0	111	G286 E287 A392 G420	M284-G286 PolarHBondContact O-N 3.08Å; M284-G286 VanDerWaalsContact O-N 3.15Å; M284-E287 HydrophobicContact CB-CG 3.97Å; M284-E287 PolarHBondContact N-OE2 2.88Å; M284-E287 VanDerWaalsContact O-CB 3.26Å; M284-E287 WeakPolarHBondContact O-CB 3.2Å; M284-E287 WeakPolarHBondContact O-CG 3.46Å; M284-E287 PolarHBondContact O-N 3.36Å; M284-A392 WeakPolarHBondContact O-CB 3.3Å; M284-G420 CarbonylContact C-O 3.54Å; M284-G420 WeakPolarHBondContact CA-O 3.46Å
285	L	85.6	Confident	81.4	Confident	74 Å²	74	69.4 Å²	69.4	39%	0.387	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	121.8	178.3	-171.2	71.6	0	0	0	111.3	L395 V419 G420	L285-L395 HydrophobicContact CB-CD2 4.37Å; L285-L395 HydrophobicContact CD1-CD2 4.3Å; L285-L395 HydrophobicContact CD1-CG 4.47Å; L285-V419 HydrophobicContact CB-CG1 4.34Å; L285-V419 HydrophobicContact CD1-CG1 4.11Å; L285-G420 PolarHBondContact N-O 3.32Å
286	G	83.5	Confident	81.8	Confident	52 Å²	52	71.2 Å²	71.2	54%	0.536	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.4	-13.9	-177.5	0	0	0	0	0	115.3	M284 A392	M284-G286 PolarHBondContact O-N 3.08Å; M284-G286 VanDerWaalsContact O-N 3.15Å; G286-A392 WeakPolarHBondContact CA-O 3.1Å; G286-A392 PolarHBondContact N-O 2.78Å
287	E	86.5	Confident	83.1	Confident	94 Å²	94	65.6 Å²	65.6	44%	0.439	33%	0.331	S	S	.	.			trans	-70	159	176	-67.4	-175.1	157.1	0	0	112.3	M284 K391 A392	M284-E287 HydrophobicContact CB-CG 3.97Å; M284-E287 PolarHBondContact N-OE2 2.88Å; M284-E287 VanDerWaalsContact O-CB 3.26Å; M284-E287 WeakPolarHBondContact O-CB 3.2Å; M284-E287 WeakPolarHBondContact O-CG 3.46Å; M284-E287 PolarHBondContact O-N 3.36Å; E287-K391 WeakPolarHBondContact O-CA 3.49Å; E287-A392 PolarHBondContact O-N 2.9Å
288	R	88.1	Confident	84.2	Confident	156 Å²	156	61 Å²	61	59%	0.589	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.5	175.2	177.9	178.8	168.7	168.9	-2.8	109.7	E290 C390	R288-E290 IonicContact CZ-OE1 3.49Å; R288-E290 IonicContact NE-OE1 3.75Å; R288-E290 PolarHBondContact NE-OE1 3.1Å; R288-E290 IonicContact NH2-OE1 3.16Å; R288-E290 PolarHBondContact NH2-OE1 2.85Å; R288-C390 CarbonylContact C-O 3.52Å; R288-C390 VanDerWaalsContact CA-O 3.27Å; R288-C390 WeakPolarHBondContact CA-O 3.37Å
289	C	88.1	Confident	84.9	Confident	39 Å²	39	61.9 Å²	61.9	26%	0.264	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149.8	175.7	-176.6	0	0	0	0	109.9	F280 L283 A389 C390	F280-C289 HydrophobicContact CD1-CB 4.1Å; L283-C289 HydrophobicContact CD1-CB 3.73Å; L283-C289 HydrophobicContact CD2-CB 3.63Å; L283-C289 HydrophobicContact CG-CB 4.33Å; C289-A389 CarbonylContact O-C 3.54Å; C289-A389 WeakPolarHBondContact O-CA 3.37Å; C289-C390 PolarHBondContact N-O 2.92Å; C289-C390 PolarHBondContact O-N 2.9Å
290	E	89	Confident	85	Confident	97 Å²	97	60.7 Å²	60.7	45%	0.453	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	130.2	177	-58.6	-168.1	161.9	0	0	109.9	R288 V387 I388 A389	R288-E290 IonicContact CZ-OE1 3.49Å; R288-E290 IonicContact NE-OE1 3.75Å; R288-E290 PolarHBondContact NE-OE1 3.1Å; R288-E290 IonicContact NH2-OE1 3.16Å; R288-E290 PolarHBondContact NH2-OE1 2.85Å; E290-V387 HydrophobicContact CB-CG1 4.13Å; E290-I388 CarbonylContact C-O 3.53Å; E290-I388 WeakPolarHBondContact CA-O 3.44Å; E290-A389 HydrophobicContact CG-CB 3.98Å
291	L	85.4	Confident	84.9	Confident	28 Å²	28	66.4 Å²	66.4	15%	0.147	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	134	178.3	-171.7	94.1	0	0	0	109	F280 L293 V387 I388 L415	F280-L291 HydrophobicContact CD1-CB 4.13Å; F280-L291 HydrophobicContact CE1-CB 3.56Å; F280-L291 HydrophobicContact CE2-CB 4.04Å; F280-L291 HydrophobicContact CE2-CD2 4.22Å; F280-L291 HydrophobicContact CZ-CB 3.51Å; F280-L291 HydrophobicContact CZ-CD2 4.45Å; L291-L293 HydrophobicContact CD2-CD2 3.76Å; L291-L293 HydrophobicContact CD2-CG 4.07Å; L291-V387 WeakPolarHBondContact O-CA 3.11Å; L291-I388 PolarHBondContact N-O 2.79Å; L291-I388 PolarHBondContact O-N 3.44Å; L291-L415 HydrophobicContact CD2-CD2 4.45Å
292	V	85.8	Confident	85.2	Confident	66 Å²	66	67.1 Å²	67.1	40%	0.4	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	110.6	175.5	-172.4	0	0	0	0	109.1	W294 V387	V292-W294 HydrophobicContact CG1-CD2 4.42Å; V292-W294 HydrophobicContact CG1-CZ2 4.1Å; V292-V387 HydrophobicContact CG2-CG2 4.29Å
293	L	85.1	Confident	85.4	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.01	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	131.4	168.8	-68.2	-179.5	0	0	0	109.7	L291 S385 V386 I388 L402 L415	L291-L293 HydrophobicContact CD2-CD2 3.76Å; L291-L293 HydrophobicContact CD2-CG 4.07Å; L293-S385 CarbonylContact O-C 3.59Å; L293-S385 WeakPolarHBondContact O-CA 3.39Å; L293-V386 HydrophobicContact CB-CB 4.5Å; L293-V386 PolarHBondContact N-O 2.86Å; L293-V386 PolarHBondContact O-N 2.94Å; L293-I388 HydrophobicContact CD1-CD1 3.48Å; L293-I388 VanDerWaalsContact CD1-CD1 3.48Å; L293-I388 HydrophobicContact CG-CD1 4.12Å; L293-L402 HydrophobicContact CD1-CD2 3.38Å; L293-L415 HydrophobicContact CD1-CD2 4.38Å
294	W	85.9	Confident	85.3	Confident	87 Å²	87	62.2 Å²	62.2	33%	0.33	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132.2	177.9	-68.3	97.6	0	0	0	110.6	V274 S275 V292 A327 R383	V274-W294 WeakPolarHBondContact CA-O 3.39Å; S275-W294 PolarHBondContact N-O 3.23Å; S275-W294 PolarHBondContact OG-N 3.24Å; V292-W294 HydrophobicContact CG1-CD2 4.42Å; V292-W294 HydrophobicContact CG1-CZ2 4.1Å; W294-A327 HydrophobicContact CZ3-CB 4.5Å; W294-R383 VanDerWaalsContact CB-NH2 3.25Å; W294-R383 HydrophobicContact CE3-CG 3.81Å; W294-R383 HydrophobicContact CZ3-CG 4.43Å
295	I	88.3	Confident	85.2	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	119.7	175.9	-55.6	176.5	0	0	0	106.8	I272 V274 L305 I378 R383 V384 V386 L404 F406	I272-I295 HydrophobicContact CG2-CG2 3.49Å; I272-I295 VanDerWaalsContact CG2-CG2 3.49Å; V274-I295 HydrophobicContact CG1-CG1 4.33Å; V274-I295 HydrophobicContact CG2-CG1 4.22Å; V274-I295 HydrophobicContact CG2-CG2 4.35Å; I295-L305 HydrophobicContact CD1-CD2 3.78Å; I295-I378 HydrophobicContact CB-CD1 4.29Å; I295-I378 HydrophobicContact CG2-CD1 3.59Å; I295-R383 CarbonylContact O-C 3.56Å; I295-R383 WeakPolarHBondContact O-CA 3.25Å; I295-V384 PolarHBondContact N-O 2.89Å; I295-V384 PolarHBondContact O-N 2.82Å; I295-V386 HydrophobicContact CD1-CG2 3.63Å; I295-V386 HydrophobicContact CG1-CG2 4.44Å; I295-L404 HydrophobicContact CD1-CD1 4.08Å; I295-L404 HydrophobicContact CD1-CD2 4.35Å; I295-L404 HydrophobicContact CG1-CD1 4.47Å; I295-F406 HydrophobicContact CD1-CZ 4.44Å; I295-F406 HydrophobicContact CG2-CE1 4.34Å; I295-F406 HydrophobicContact CG2-CZ 3.97Å
296	Q	87.7	Confident	84.9	Confident	65 Å²	65	59.4 Å²	59.4	30%	0.304	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130	180	-176.2	172.2	-20	0	0	110	I272 D273 N298 R383	I272-Q296 CarbonylContact C-O 3.5Å; I272-Q296 WeakPolarHBondContact CA-O 3.45Å; D273-Q296 PolarHBondContact N-O 3.08Å; D273-Q296 PolarHBondContact O-N 3.47Å; Q296-N298 WeakPolarHBondContact CG-OD1 3.19Å; Q296-N298 PolarHBondContact NE2-OD1 3.25Å; Q296-N298 PolarHBondContact O-N 2.98Å; Q296-R383 HydrophobicContact CB-CG 4.22Å
297	N	88.5	Confident	84.7	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	103.9	173.2	-172.5	0.1	0	0	0	110.4	I272 G299 E301 I378 S379 G381 E382	I272-N297 HydrophobicContact CD1-CB 3.59Å; N297-G299 WeakPolarHBondContact OD1-CA 3.1Å; N297-G299 PolarHBondContact OD1-N 3.38Å; N297-E301 PolarHBondContact ND2-O 2.92Å; N297-I378 HydrophobicContact CB-CB 4.39Å; N297-I378 HydrophobicContact CB-CG2 3.65Å; N297-I378 PolarHBondContact ND2-O 3.28Å; N297-S379 WeakPolarHBondContact CB-O 3.39Å; N297-G381 WeakPolarHBondContact O-CA 3.47Å; N297-G381 PolarHBondContact O-N 3.07Å; N297-E382 PolarHBondContact N-O 3.13Å; N297-E382 VanDerWaalsContact N-O 3.08Å
298	N	86.6	Confident	84.4	Confident	94 Å²	94	55.4 Å²	55.4	50%	0.503	29%	0.292	S	S	.	.			trans	-95.5	2.2	173.4	-65.5	-30.4	0	0	0	112.4	G271 Q296	G271-N298 CarbonylContact O-C 3.49Å; G271-N298 WeakPolarHBondContact O-CA 3.1Å; G271-N298 PolarHBondContact O-N 2.78Å; Q296-N298 WeakPolarHBondContact CG-OD1 3.19Å; Q296-N298 PolarHBondContact NE2-OD1 3.25Å; Q296-N298 PolarHBondContact O-N 2.98Å
299	G	81.1	Confident	83.9	Confident	22 Å²	22	51.8 Å²	51.8	23%	0.227	28%	0.284	C	S	.	.	S	Bend	trans	-80.2	174.6	176.5	0	0	0	0	0	113.2	G271 N297 P380	G271-G299 PolarHBondContact O-N 3.49Å; N297-G299 WeakPolarHBondContact OD1-CA 3.1Å; N297-G299 PolarHBondContact OD1-N 3.38Å; G299-P380 WeakPolarHBondContact O-CB 3.38Å
300	S	77.6	Confident	83.5	Confident	112 Å²	112	52.8 Å²	52.8	78%	0.783	28%	0.284	S	S	*	.	S	Bend	trans	-88.6	-7.9	177.6	52.1	0	0	0	0	114.3
301	E	81.8	Confident	82.6	Confident	135 Å²	135	50.1 Å²	50.1	63%	0.631	28%	0.279	S	S	*	.	S	Bend	trans	-121.3	145.8	-175.2	-63.1	-177.3	170.9	0	0	110.5	N297	N297-E301 PolarHBondContact ND2-O 2.92Å
302	S	82.8	Confident	81.8	Confident	52 Å²	52	51.6 Å²	51.6	36%	0.364	30%	0.301	S	S	.	.			trans	-64.7	139.4	172.8	-62.4	0	0	0	0	110.9	E377 I378	S302-E377 WeakPolarHBondContact CB-OE1 3.43Å; S302-I378 WeakPolarHBondContact CA-O 3.18Å
303	Q	84.8	Confident	81.1	Confident	20 Å²	20	50.4 Å²	50.4	9%	0.093	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	132.5	178.3	-64.1	-65.8	-18.3	0	0	110.1	I272 I378 F406	I272-Q303 HydrophobicContact CD1-CB 3.65Å; I272-Q303 HydrophobicContact CD1-CG 3.76Å; I272-Q303 HydrophobicContact CG1-CB 4Å; I272-Q303 HydrophobicContact CG1-CG 3.81Å; Q303-I378 PolarHBondContact N-O 2.79Å; Q303-I378 WeakPolarHBondContact O-CB 3.45Å; Q303-I378 PolarHBondContact O-N 3.12Å; Q303-F406 HydrophobicContact CB-CD1 4.33Å
304	T	83.4	Confident	80.4	Confident	32 Å²	32	50.9 Å²	50.9	20%	0.196	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.6	-179.8	-42.6	0	0	0	0	110.7	E375 V376 F406 S407	T304-E375 HydrophobicContact CG2-CB 3.81Å; T304-V376 WeakPolarHBondContact CA-O 3.46Å; T304-F406 VanDerWaalsContact O-CA 3.3Å; T304-F406 WeakPolarHBondContact O-CA 3.08Å; T304-S407 PolarHBondContact O-N 2.94Å
305	L	82.8	Confident	79.6	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.021	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	113.8	169.3	-179.7	67.1	0	0	0	109.1	I295 V324 E375 V376 V386 L404 F406	I295-L305 HydrophobicContact CD1-CD2 3.78Å; L305-V324 HydrophobicContact CD2-CG1 4.36Å; L305-E375 WeakPolarHBondContact O-CA 3.31Å; L305-V376 PolarHBondContact N-O 3.27Å; L305-V376 PolarHBondContact O-N 3.45Å; L305-V386 HydrophobicContact CD2-CG2 4.25Å; L305-L404 HydrophobicContact CD1-CB 4.12Å; L305-L404 HydrophobicContact CD1-CD2 4.44Å; L305-F406 HydrophobicContact CB-CD1 4.3Å; L305-F406 HydrophobicContact CB-CE1 4.01Å; L305-F406 HydrophobicContact CD1-CD1 4.38Å; L305-F406 HydrophobicContact CD1-CD2 4.47Å; L305-F406 HydrophobicContact CD1-CE1 4.01Å; L305-F406 HydrophobicContact CD1-CE2 4.1Å; L305-F406 HydrophobicContact CD1-CZ 3.85Å
306	K	81.3	Confident	78.8	Confident	90 Å²	90	51.3 Å²	51.3	39%	0.391	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-48.1	-175.4	-69.7	-177.8	169.1	174.3	0	112.8	H405 S407	K306-H405 PolarHBondContact N-O 3.15Å; K306-S407 WeakPolarHBondContact CE-OG 3.19Å
307	C	79.3	Confident	78.4	Confident	42 Å²	42	55.3 Å²	55.3	28%	0.284	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	162.1	177.2	60.4	0	0	0	0	112.3	D309 H405	C307-D309 PolarHBondContact SG-OD2 3Å; C307-H405 PolarHBondContact O-N 2.92Å; C307-H405 PolarHBondContact SG-CD2 2.62Å
308	C	79.3	Confident	78.3	Confident	20 Å²	20	55.4 Å²	55.4	14%	0.135	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	117.5	172.9	-55.5	0	0	0	0	107.7	V321 L402 L403 L404	C308-V321 HydrophobicContact CB-CG1 4.5Å; C308-V321 HydrophobicContact CB-CG2 4.29Å; C308-L402 HydrophobicContact CB-CD1 4.39Å; C308-L403 WeakPolarHBondContact CA-O 3.48Å; C308-L404 HydrophobicContact CB-CD2 4.17Å; C308-L404 WeakPolarHBondContact SG-CD2 3.37Å
309	D	78.3	Confident	78.2	Confident	81 Å²	81	51.3 Å²	51.3	43%	0.433	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	166.1	-178.6	-68.3	-48.8	0	0	0	110.6	C307 L403 H405	C307-D309 PolarHBondContact SG-OD2 3Å; D309-L403 PolarHBondContact N-O 3.09Å; D309-L403 PolarHBondContact O-N 2.87Å; D309-H405 IonicContact OD2-CD2 3.32Å
310	F	79.2	Confident	78.4	Confident	59 Å²	59	53.7 Å²	53.7	26%	0.259	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	147.7	173.5	-63.8	-64.2	0	0	0	110.4	G312 F319 V321 I388 E400 L401 L402 L415	F310-G312 PolarHBondContact O-N 2.9Å; F310-F319 HydrophobicContact CE1-CB 4.03Å; F310-F319 HydrophobicContact CE2-CB 4.18Å; F310-F319 HydrophobicContact CZ-CB 3.78Å; F310-V321 HydrophobicContact CE2-CG2 3.89Å; F310-V321 HydrophobicContact CZ-CG2 3.78Å; F310-I388 HydrophobicContact CE1-CG2 4.48Å; F310-I388 HydrophobicContact CZ-CG2 4.09Å; F310-E400 HydrophobicContact CB-CG 4.08Å; F310-E400 HydrophobicContact CD1-CG 3.6Å; F310-E400 HydrophobicContact CE1-CG 4.34Å; F310-E400 HydrophobicContact CG-CG 4.05Å; F310-L401 WeakPolarHBondContact CA-O 3.48Å; F310-L402 HydrophobicContact CD1-CB 4.38Å; F310-L402 HydrophobicContact CD1-CD1 3.99Å; F310-L402 HydrophobicContact CE1-CB 4.29Å; F310-L402 HydrophobicContact CE1-CD1 3.57Å; F310-L402 HydrophobicContact CZ-CD1 4.2Å; F310-L415 HydrophobicContact CD1-CD1 4.43Å; F310-L415 HydrophobicContact CE1-CD1 3.66Å
311	A	69	Low	78.6	Confident	41 Å²	41	50.3 Å²	50.3	34%	0.339	29%	0.291	S	S	.	.			trans	-75.7	-5.6	177	0	0	0	0	0	113.4	W313 L401 L403	A311-W313 HydrophobicContact CB-CG 4.44Å; A311-L401 HydrophobicContact CB-CB 3.79Å; A311-L401 HydrophobicContact CB-CD2 4.07Å; A311-L401 HydrophobicContact CB-CG 4.24Å; A311-L401 PolarHBondContact N-O 2.87Å; A311-L403 HydrophobicContact CB-CD1 4.37Å
312	G	69.2	Low	78.5	Confident	60 Å²	60	46.7 Å²	46.7	62%	0.619	28%	0.278	S	S	*	.	S	Bend	trans	76.7	31.1	176.6	0	0	0	0	0	113.1	F310 D314 E400	F310-G312 PolarHBondContact O-N 2.9Å; G312-D314 VanDerWaalsContact C-N 3.31Å; G312-E400 PolarHBondContact N-OE1 3.44Å
313	W	70.4	Confident	78.2	Confident	40 Å²	40	47.8 Å²	47.8	15%	0.152	28%	0.283	C	S	.	.			trans	-75.2	-25.2	175.8	-62.8	6.3	0	0	0	111.6	A311 T399 E400 L401 D1120	A311-W313 HydrophobicContact CB-CG 4.44Å; W313-T399 WeakPolarHBondContact CB-O 3.24Å; W313-T399 HydrophobicContact CE3-CG2 4.03Å; W313-T399 HydrophobicContact CZ3-CG2 4.05Å; W313-E400 WeakPolarHBondContact CB-OE1 3.33Å; W313-E400 VanDerWaalsContact N-CD 3.31Å; W313-E400 PolarHBondContact N-OE1 2.94Å; W313-E400 PolarHBondContact N-OE2 3.48Å; W313-L401 HydrophobicContact CD2-CB 3.84Å; W313-L401 HydrophobicContact CE3-CB 3.97Å; W313-L401 HydrophobicContact CH2-CB 3.86Å; W313-L401 HydrophobicContact CH2-CD2 4.02Å; W313-L401 HydrophobicContact CH2-CG 4.37Å; W313-L401 HydrophobicContact CZ2-CB 3.7Å; W313-L401 HydrophobicContact CZ2-CD2 3.53Å; W313-L401 HydrophobicContact CZ2-CG 4.2Å; W313-L401 HydrophobicContact CZ3-CB 3.98Å; W313-D1120 HydrophobicContact CB-CB 3.88Å; W313-D1120 WeakPolarHBondContact O-CA 3.38Å; W313-D1120 WeakPolarHBondContact O-CB 3.37Å
314	D	72.1	Confident	77.5	Confident	13 Å²	13	49.7 Å²	49.7	7%	0.07	30%	0.296	C	S	.	.			trans	-93.6	98.3	177.6	175.4	29.4	0	0	0	111.9	G312 A316 E317 Q318 F319 E400	G312-D314 VanDerWaalsContact C-N 3.31Å; D314-A316 PolarHBondContact O-N 3.26Å; D314-A316 VanDerWaalsContact O-N 3.17Å; D314-A316 PolarHBondContact OD1-N 3.32Å; D314-E317 PolarHBondContact O-N 3.14Å; D314-Q318 PolarHBondContact OD1-NE2 3.34Å; D314-Q318 WeakPolarHBondContact OD2-CA 3.32Å; D314-Q318 WeakPolarHBondContact OD2-CB 3.47Å; D314-Q318 PolarHBondContact OD2-N 3.44Å; D314-F319 HydrophobicContact CB-CD2 4.03Å; D314-F319 HydrophobicContact CB-CE2 4.31Å; D314-F319 WeakPolarHBondContact OD2-CD2 3.33Å; D314-F319 PolarHBondContact OD2-N 3.07Å; D314-E400 HydrophobicContact CB-CB 4.25Å; D314-E400 HydrophobicContact CB-CG 4.44Å; D314-E400 WeakPolarHBondContact CB-OE2 3.3Å; D314-E400 PolarHBondContact N-OE2 2.67Å
315	S	68.4	Low	76.6	Confident	66 Å²	66	51.1 Å²	51.1	46%	0.462	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-16.7	178.8	67.4	0	0	0	0	114.5	G1118	S315-G1118 PolarHBondContact OG-N 3.19Å; S315-G1118 PolarHBondContact OG-O 3.21Å
316	A	71.8	Confident	74.9	Confident	30 Å²	30	54.4 Å²	54.4	25%	0.248	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-2.4	-177.8	0	0	0	0	0	113.7	D314 Q318 K393	D314-A316 PolarHBondContact O-N 3.26Å; D314-A316 VanDerWaalsContact O-N 3.17Å; D314-A316 PolarHBondContact OD1-N 3.32Å; A316-Q318 VanDerWaalsContact C-N 3.3Å; A316-Q318 HydrophobicContact CB-CG 3.87Å; A316-Q318 PolarHBondContact O-N 3.12Å; A316-K393 HydrophobicContact CB-CB 4.42Å; A316-K393 WeakPolarHBondContact O-CD 3.29Å; A316-K393 PolarHBondContact O-NZ 3.09Å
317	E	79.8	Confident	72.9	Confident	149 Å²	149	52.7 Å²	52.7	70%	0.696	33%	0.33	S	S	*	.			trans	50.4	48.1	-178.3	-57.3	-180	174.6	0	0	112.3	D314 K393	D314-E317 PolarHBondContact O-N 3.14Å; E317-K393 PolarHBondContact O-NZ 3.47Å
318	Q	85.2	Confident	70.7	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	35%	0.354	C	S	.	.			trans	-74	-31.5	176.6	-58.9	177.4	96.6	0	0	111.3	D314 A316 C390 K391 K393 C398	D314-Q318 PolarHBondContact OD1-NE2 3.34Å; D314-Q318 WeakPolarHBondContact OD2-CA 3.32Å; D314-Q318 WeakPolarHBondContact OD2-CB 3.47Å; D314-Q318 PolarHBondContact OD2-N 3.44Å; A316-Q318 VanDerWaalsContact C-N 3.3Å; A316-Q318 HydrophobicContact CB-CG 3.87Å; A316-Q318 PolarHBondContact O-N 3.12Å; Q318-C390 CarbonylContact O-C 3.54Å; Q318-C390 VanDerWaalsContact O-CA 3.27Å; Q318-C390 WeakPolarHBondContact O-CA 3.35Å; Q318-K391 WeakPolarHBondContact CA-O 3.32Å; Q318-K391 VanDerWaalsContact CB-O 3.3Å; Q318-K391 WeakPolarHBondContact CB-O 3.29Å; Q318-K391 WeakPolarHBondContact CG-O 3.04Å; Q318-K391 PolarHBondContact O-N 3.36Å; Q318-K393 HydrophobicContact CG-CB 3.84Å; Q318-K393 HydrophobicContact CG-CD 4.07Å; Q318-K393 HydrophobicContact CG-CG 4.22Å; Q318-C398 PolarHBondContact NE2-SG 2.92Å; Q318-C398 VanDerWaalsContact NE2-SG 3.38Å
319	F	84.6	Confident	68.4	Low	9 Å²	9	63.6 Å²	63.6	4%	0.039	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	137.3	-179.7	-57.8	-84.2	0	0	0	113	F280 F310 D314 A389 C390 E400 L415 V417	F280-F319 HydrophobicContact CD2-CD1 4.45Å; F280-F319 AromaticContact CD2-CE1 3.74Å; F280-F319 HydrophobicContact CD2-CE1 3.74Å; F280-F319 AromaticContact CE2-CD1 3.84Å; F280-F319 HydrophobicContact CE2-CD1 3.84Å; F280-F319 AromaticContact CE2-CE1 3.56Å; F280-F319 HydrophobicContact CE2-CE1 3.56Å; F280-F319 HydrophobicContact CZ-CD1 4.16Å; F280-F319 HydrophobicContact CZ-CE1 4.24Å; F310-F319 HydrophobicContact CE1-CB 4.03Å; F310-F319 HydrophobicContact CE2-CB 4.18Å; F310-F319 HydrophobicContact CZ-CB 3.78Å; D314-F319 HydrophobicContact CB-CD2 4.03Å; D314-F319 HydrophobicContact CB-CE2 4.31Å; D314-F319 WeakPolarHBondContact OD2-CD2 3.33Å; D314-F319 PolarHBondContact OD2-N 3.07Å; F319-A389 CarbonylContact C-O 3.55Å; F319-A389 WeakPolarHBondContact CA-O 3.39Å; F319-C390 HydrophobicContact CD1-CB 3.96Å; F319-C390 HydrophobicContact CE1-CB 3.94Å; F319-E400 HydrophobicContact CD2-CB 3.53Å; F319-E400 HydrophobicContact CD2-CG 4.07Å; F319-E400 HydrophobicContact CE2-CB 3.65Å; F319-E400 HydrophobicContact CG-CB 4.22Å; F319-E400 HydrophobicContact CZ-CB 4.43Å; F319-L415 HydrophobicContact CD1-CB 4.33Å; F319-L415 HydrophobicContact CD1-CD1 3.98Å; F319-L415 HydrophobicContact CE1-CB 3.97Å; F319-L415 HydrophobicContact CE1-CD1 4.43Å; F319-L415 HydrophobicContact CG-CD1 4.37Å; F319-L415 HydrophobicContact CZ-CB 4.29Å; F319-V417 HydrophobicContact CE1-CB 4.47Å; F319-V417 HydrophobicContact CE1-CG1 4.29Å; F319-V417 HydrophobicContact CE2-CG1 4.31Å; F319-V417 HydrophobicContact CZ-CB 4.13Å; F319-V417 HydrophobicContact CZ-CG1 3.57Å
320	T	85.6	Confident	66.1	Low	71 Å²	71	68.7 Å²	68.7	44%	0.436	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	140.9	177	53.3	0	0	0	0	110.8	I388 A389	T320-I388 CarbonylContact O-C 3.59Å; T320-I388 WeakPolarHBondContact O-CA 3.37Å; T320-A389 PolarHBondContact N-O 3.48Å; T320-A389 PolarHBondContact O-N 2.85Å; T320-A389 PolarHBondContact OG1-O 3.43Å
321	V	82.7	Confident	63.8	Low	41 Å²	41	77.8 Å²	77.8	25%	0.248	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	122.8	172.5	-177.5	0	0	0	0	108.8	C308 F310 V386 L402	C308-V321 HydrophobicContact CB-CG1 4.5Å; C308-V321 HydrophobicContact CB-CG2 4.29Å; F310-V321 HydrophobicContact CE2-CG2 3.89Å; F310-V321 HydrophobicContact CZ-CG2 3.78Å; V321-V386 HydrophobicContact CG1-CG1 4.27Å; V321-L402 HydrophobicContact CG2-CD1 4.36Å
322	V	79.2	Confident	61.9	Low	59 Å²	59	84.9 Å²	84.9	36%	0.358	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-55.8	-173.8	-176.5	0	0	0	0	111.3	V387 A389	V322-V387 HydrophobicContact CB-CB 4.26Å; V322-V387 HydrophobicContact CB-CG1 4.16Å; V322-V387 PolarHBondContact N-O 3.02Å; V322-A389 HydrophobicContact CG2-CB 3.41Å; V322-A389 VanDerWaalsContact CG2-CB 3.41Å
323	T	76.9	Confident	59.8	Low	75 Å²	75	91.1 Å²	91.1	46%	0.46	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	156.4	-177	47.8	0	0	0	0	112.9	V387	T323-V387 PolarHBondContact O-N 3.02Å; T323-V387 WeakPolarHBondContact OG1-CG2 3.33Å
324	V	68.4	Low	57.9	Low	60 Å²	60	95 Å²	95	36%	0.364	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	122.1	168.1	-174.2	0	0	0	0	108.1	L305 V376 V384 S385 V386	L305-V324 HydrophobicContact CD2-CG1 4.36Å; V324-V376 HydrophobicContact CG1-CG2 3.78Å; V324-V384 HydrophobicContact CG1-CG1 3.73Å; V324-S385 CarbonylContact C-O 3.56Å; V324-S385 WeakPolarHBondContact CA-O 3.49Å; V324-V386 HydrophobicContact CG1-CG2 4.26Å; V324-V386 HydrophobicContact CG2-CG1 4.47Å; V324-V386 HydrophobicContact CG2-CG2 4.23Å
325	S	66	Low	55.8	Low	62 Å²	62	100.9 Å²	100.9	43%	0.434	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	136.7	-173.2	-172.5	0	0	0	0	113	V384 S385	S325-V384 WeakPolarHBondContact O-CG1 3.14Å; S325-S385 PolarHBondContact N-O 2.99Å; S325-S385 PolarHBondContact O-N 3.29Å; S325-S385 PolarHBondContact O-OG 2.85Å
326	T	47.2	Very low	53.8	Low	74 Å²	74	105.7 Å²	105.7	45%	0.454	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.6	125.6	168.1	48.7	0	0	0	0	109.4	V376 V384	T326-V376 HydrophobicContact CG2-CG1 3.98Å; T326-V384 HydrophobicContact CG2-CG2 4.05Å
327	A	38.1	Very low	51.7	Low	54 Å²	54	113.9 Å²	113.9	45%	0.446	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-76.6	140.6	-178.6	0	0	0	0	0	111.9	W294	W294-A327 HydrophobicContact CZ3-CB 4.5Å
328	P	33.3	Very low	49.1	Very low	119 Å²	119	113.8 Å²	113.8	77%	0.773	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-78.2	134.8	167.4	30	-30	0	0	0	110.9	Q330	P328-Q330 PolarHBondContact O-N 3.18Å; P328-Q330 VanDerWaalsContact O-N 3.09Å
329	N	30.8	Very low	46.3	Very low	172 Å²	172	123.1 Å²	123.1	92%	0.92	64%	0.637	S	S	*	*			trans	-55.5	109.3	173.1	-97.1	-26	0	0	0	111.6
330	Q	31.2	Very low	43.7	Very low	188 Å²	188	128.6 Å²	128.6	88%	0.879	67%	0.674	S	S	*	*			trans	-132.6	130.3	157.3	-78.6	-165.5	-1	0	0	112.2	P328	P328-Q330 PolarHBondContact O-N 3.18Å; P328-Q330 VanDerWaalsContact O-N 3.09Å
331	R	29.3	Very low	40.8	Very low	249 Å²	249	133.6 Å²	133.6	94%	0.94	69%	0.692	S	S	*	*			trans	-54.4	131.2	-176.1	-71.1	170.7	170.2	170.9	-4.4	112.4
332	Q	29.1	Very low	38.1	Very low	190 Å²	190	136.7 Å²	136.7	89%	0.888	72%	0.716	S	S	*	*			trans	-56.6	133.5	164.1	-70.9	173.5	-10.1	0	0	111.1
333	K	26	Very low	35.5	Very low	191 Å²	191	138.4 Å²	138.4	83%	0.83	73%	0.731	S	S	*	*			trans	-116.7	136.2	145.1	-83.2	-173.9	177.3	-179.5	0	107.5
334	P	30.7	Very low	33.1	Very low	121 Å²	121	143.5 Å²	143.5	79%	0.786	75%	0.749	S	S	*	*			trans	-80.5	134	-176.7	32.8	-30.7	0	0	0	109.4
335	V	26.7	Very low	31.2	Very low	138 Å²	138	149.3 Å²	149.3	84%	0.836	77%	0.773	S	S	*	*			trans	-117.5	108.4	164	179.7	0	0	0	0	107.5	K337	V335-K337 PolarHBondContact O-N 3.45Å
336	H	27.7	Very low	29.2	Very low	167 Å²	167	155.7 Å²	155.7	77%	0.773	80%	0.795	S	S	*	*			trans	-49.5	128.4	166	-88.2	-79.4	0	0	0	110.8
337	K	27.7	Very low	28.2	Very low	201 Å²	201	159.1 Å²	159.1	87%	0.874	82%	0.816	S	S	*	*			trans	-80.9	111.7	156.6	-80.7	-177.5	175.2	179.9	0	108	V335	V335-K337 PolarHBondContact O-N 3.45Å
338	N	24.6	Very low	27.6	Very low	147 Å²	147	160.2 Å²	160.2	79%	0.786	83%	0.832	S	S	*	*			trans	-109.5	130.7	152.3	-86	-9.2	0	0	0	107.5
339	F	27.1	Very low	27.2	Very low	197 Å²	197	162.1 Å²	162.1	86%	0.864	84%	0.836	S	S	*	*			trans	-56.9	156	160.4	-79.3	-93.6	0	0	0	110.1
340	P	29.3	Very low	27.1	Very low	125 Å²	125	157.3 Å²	157.3	81%	0.812	82%	0.82	S	S	*	*				-143.5	159.7	96.8	34.2	-16.9	0	0	0	115.5
341	E	24.9	Very low	26.9	Very low	175 Å²	175	158.1 Å²	158.1	82%	0.818	82%	0.821	S	S	*	*			trans	-68	162.5	163.6	-68.5	174.1	131.6	0	0	113.1
342	S	25.6	Very low	26.7	Very low	107 Å²	107	155.7 Å²	155.7	75%	0.748	82%	0.817	S	S	*	*			trans	91.7	132	141.4	72.6	0	0	0	0	121.6
343	S	25.7	Very low	26.6	Very low	94 Å²	94	152.5 Å²	152.5	66%	0.657	81%	0.811	S	S	*	*			trans	80.8	119.4	142.8	39.1	0	0	0	0	122.4
344	E	26.4	Very low	26.7	Very low	183 Å²	183	152.8 Å²	152.8	86%	0.855	81%	0.812	S	S	*	*				90.4	119.4	127.2	-70.8	177.2	-177	0	0	121.5
345	E	26.9	Very low	26.5	Very low	182 Å²	182	158.2 Å²	158.2	85%	0.85	82%	0.817	S	S	*	*			trans	5.7	131.6	146.7	-59.6	-175.9	158.3	0	0	119.2
346	Q	25.5	Very low	26.5	Very low	196 Å²	196	161 Å²	161	92%	0.916	82%	0.82	S	S	*	*				-169.6	147.4	112.1	-104.1	176.9	18.1	0	0	114.1
347	V	26.5	Very low	26.4	Very low	145 Å²	145	160.9 Å²	160.9	88%	0.879	83%	0.826	S	S	*	*			trans	-68.6	145.7	179.9	172.2	0	0	0	0	112.2
348	G	25.3	Very low	26.4	Very low	77 Å²	77	154.9 Å²	154.9	79%	0.794	82%	0.821	S	S	*	*			trans	-169	116.9	167.8	0	0	0	0	0	113.3
349	D	25.2	Very low	26.4	Very low	159 Å²	159	152.9 Å²	152.9	85%	0.85	83%	0.825	S	S	*	*			trans	-95.2	154.5	-159.8	-156.8	2.2	0	0	0	114.4
350	A	27	Very low	26.4	Very low	72 Å²	72	152 Å²	152	60%	0.595	83%	0.825	S	S	*	*			trans	44	124.9	152.5	0	0	0	0	0	123.3
351	K	27	Very low	26.2	Very low	205 Å²	205	154.3 Å²	154.3	89%	0.891	83%	0.825	S	S	*	*				176.3	135.2	96.8	-97.3	175.3	-177.5	169.7	0	115
352	K	26.4	Very low	26.3	Very low	198 Å²	198	152 Å²	152	86%	0.861	82%	0.823	S	S	*	*			trans	-25	148.9	159.3	-74.8	168.5	168.4	171	0	116.4
353	V	27.4	Very low	26.3	Very low	123 Å²	123	154.5 Å²	154.5	75%	0.745	83%	0.828	S	S	*	*				-178.1	132.1	106.1	150	0	0	0	0	113.3
354	K	26.3	Very low	26.5	Very low	196 Å²	196	153.8 Å²	153.8	85%	0.852	83%	0.828	S	S	*	*			trans	73.4	116.4	151.6	-79.3	169.1	-172.8	-173.9	0	123.1
355	R	27.6	Very low	26.5	Very low	236 Å²	236	152.1 Å²	152.1	89%	0.891	83%	0.825	S	S	*	*			trans	-55.6	143.8	151.4	-70.5	172.9	166.9	170.6	-6.2	111.9
356	E	26.2	Very low	26.5	Very low	196 Å²	196	150.9 Å²	150.9	92%	0.916	82%	0.824	S	S	*	*			trans	-150.2	149.6	134.4	-117.2	170.2	-156.9	0	0	110.8
357	N	25.8	Very low	27	Very low	165 Å²	165	146.7 Å²	146.7	88%	0.882	81%	0.813	S	S	*	*			trans	-76.4	146	-162.5	-62.3	-41.6	0	0	0	113.5
358	G	26.7	Very low	27.1	Very low	75 Å²	75	149.5 Å²	149.5	77%	0.773	82%	0.816	S	S	*	*			trans	-156.2	120.1	162.5	0	0	0	0	0	109.7
359	A	26.1	Very low	27.4	Very low	105 Å²	105	153.1 Å²	153.1	87%	0.868	82%	0.817	S	S	*	*			trans	-56.9	135.1	-172.5	0	0	0	0	0	113.4	Q361	A359-Q361 PolarHBondContact O-N 3.21Å
360	M	25.8	Very low	27.5	Very low	178 Å²	178	149.9 Å²	149.9	88%	0.877	81%	0.813	S	S	*	*			trans	-88.8	99.5	173.6	-162.2	165.5	144.2	0	0	107.8	T362	M360-T362 PolarHBondContact O-N 3.29Å
361	Q	26.6	Very low	27.9	Very low	173 Å²	173	158 Å²	158	81%	0.808	83%	0.828	S	S	*	*			trans	-65.2	118	164.5	-87.9	170.5	-36.8	0	0	108.3	A359 D363	A359-Q361 PolarHBondContact O-N 3.21Å; Q361-D363 PolarHBondContact O-N 3.27Å
362	T	27.1	Very low	28.2	Very low	126 Å²	126	156.1 Å²	156.1	77%	0.773	82%	0.82	S	S	*	*			trans	-80.3	98.9	163.9	44.6	0	0	0	0	108.1	M360 A364	M360-T362 PolarHBondContact O-N 3.29Å; T362-A364 PolarHBondContact O-N 3.32Å
363	D	25.1	Very low	29.1	Very low	160 Å²	160	155.8 Å²	155.8	86%	0.856	82%	0.818	S	S	*	*			trans	-86.9	97.9	160.6	-82.8	-24.1	0	0	0	108.2	Q361	Q361-D363 PolarHBondContact O-N 3.27Å
364	A	29.9	Very low	30.2	Very low	79 Å²	79	159 Å²	159	65%	0.653	82%	0.817	S	S	*	*			trans	-110.1	116.2	151.5	0	0	0	0	0	105.7	T362	T362-A364 PolarHBondContact O-N 3.32Å
365	D	26.3	Very low	32.3	Very low	149 Å²	149	155.8 Å²	155.8	80%	0.797	81%	0.805	S	S	*	*			trans	170.4	132.5	132.4	-94.1	-23.3	0	0	0	114.8
366	L	27.4	Very low	34.8	Very low	156 Å²	156	145.5 Å²	145.5	82%	0.817	77%	0.768	S	S	*	*			trans	82.4	152.6	151.2	-61.2	157.7	0	0	0	121.1
367	P	34.5	Very low	37.4	Very low	107 Å²	107	141.6 Å²	141.6	70%	0.695	75%	0.75	S	S	*	*			cis	-134.6	161	-31.8	34.8	-16.5	0	0	0	115.3	D369	P367-D369 PolarHBondContact O-N 3.42Å; P367-D369 VanDerWaalsContact O-N 3.08Å
368	H	29.7	Very low	40.2	Very low	204 Å²	204	133.8 Å²	133.8	94%	0.944	71%	0.708	S	S	*	*			trans	-69.1	82.8	162.2	-102.3	-82.2	0	0	0	110.4
369	D	31.6	Very low	43	Very low	153 Å²	153	132.6 Å²	132.6	82%	0.818	69%	0.689	S	S	*	*			trans	-162.2	89.5	161.8	-133.2	-9.4	0	0	0	111.6	P367	P367-D369 PolarHBondContact O-N 3.42Å; P367-D369 VanDerWaalsContact O-N 3.08Å
370	A	28	Very low	45.7	Very low	92 Å²	92	130.6 Å²	130.6	76%	0.76	67%	0.667	S	S	*	*			trans	-165.8	58.4	167.8	0	0	0	0	0	112.9	K372	A370-K372 PolarHBondContact O-N 3.16Å; A370-K372 VanDerWaalsContact O-N 3.15Å
371	R	35.6	Very low	48	Very low	243 Å²	243	125.1 Å²	125.1	92%	0.917	66%	0.655	S	S	*	*			trans	-82.4	68.7	154.3	-90.4	-175.2	176.9	175.6	-1.3	108.8	K373	R371-K373 PolarHBondContact O-N 3.23Å
372	K	33	Very low	50.7	Low	165 Å²	165	119.7 Å²	119.7	72%	0.717	63%	0.63	S	S	*	*			trans	-69.7	111.5	158.9	-85.3	-177.7	175.2	177	0	106.5	A370 R374	A370-K372 PolarHBondContact O-N 3.16Å; A370-K372 VanDerWaalsContact O-N 3.15Å; K372-R374 HydrophobicContact CB-CG 4.4Å; K372-R374 PolarHBondContact O-N 3.32Å
373	K	43.8	Very low	53.4	Low	190 Å²	190	119.1 Å²	119.1	83%	0.826	61%	0.614	S	S	*	*			trans	-57.7	91.6	158.6	-79	179.8	176.2	178.2	0	106.9	R371	R371-K373 PolarHBondContact O-N 3.23Å
374	R	52.1	Low	56.3	Low	192 Å²	192	111.5 Å²	111.5	73%	0.725	57%	0.573	S	S	*	*			trans	-90.4	101.8	165	-80	-177.7	171.9	175.2	-2.6	105	K372 V376	K372-R374 HydrophobicContact CB-CG 4.4Å; K372-R374 PolarHBondContact O-N 3.32Å; R374-V376 WeakPolarHBondContact O-CG2 3.45Å; R374-V376 PolarHBondContact O-N 2.67Å
375	E	69.4	Low	58.9	Low	127 Å²	127	108.4 Å²	108.4	59%	0.593	55%	0.547	S	S	*	.			trans	-56.9	123.9	160.8	-64.4	-169.4	158.5	0	0	106.9	T304 L305	T304-E375 HydrophobicContact CG2-CB 3.81Å; L305-E375 WeakPolarHBondContact O-CA 3.31Å
376	V	79.6	Confident	61.7	Low	20 Å²	20	101.3 Å²	101.3	12%	0.121	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	108.4	-179.1	-176.1	0	0	0	0	107.3	T304 L305 V324 T326 R374 I378 V384	T304-V376 WeakPolarHBondContact CA-O 3.46Å; L305-V376 PolarHBondContact N-O 3.27Å; L305-V376 PolarHBondContact O-N 3.45Å; V324-V376 HydrophobicContact CG1-CG2 3.78Å; T326-V376 HydrophobicContact CG2-CG1 3.98Å; R374-V376 WeakPolarHBondContact O-CG2 3.45Å; R374-V376 PolarHBondContact O-N 2.67Å; V376-I378 HydrophobicContact CG1-CG1 4.46Å; V376-V384 HydrophobicContact CG1-CG1 4.1Å; V376-V384 HydrophobicContact CG1-CG2 3.92Å
377	E	81.6	Confident	64.5	Low	115 Å²	115	94.8 Å²	94.8	54%	0.537	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	128.3	169.7	-167.5	177.5	-178.9	0	0	109.1	S302	S302-E377 WeakPolarHBondContact CB-OE1 3.43Å
378	I	85.6	Confident	67.1	Low	0 Å²	0	89.7 Å²	89.7	0%	0	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	103.1	-179	-46.8	-177	0	0	0	107.1	I295 N297 S302 Q303 V376 E382 V384 F406	I295-I378 HydrophobicContact CB-CD1 4.29Å; I295-I378 HydrophobicContact CG2-CD1 3.59Å; N297-I378 HydrophobicContact CB-CB 4.39Å; N297-I378 HydrophobicContact CB-CG2 3.65Å; N297-I378 PolarHBondContact ND2-O 3.28Å; S302-I378 WeakPolarHBondContact CA-O 3.18Å; Q303-I378 PolarHBondContact N-O 2.79Å; Q303-I378 WeakPolarHBondContact O-CB 3.45Å; Q303-I378 PolarHBondContact O-N 3.12Å; V376-I378 HydrophobicContact CG1-CG1 4.46Å; I378-E382 HydrophobicContact CG2-CB 4.05Å; I378-V384 HydrophobicContact CD1-CB 4.17Å; I378-V384 HydrophobicContact CD1-CG2 4.05Å; I378-V384 HydrophobicContact CG1-CG2 3.84Å; I378-V384 HydrophobicContact CG2-CG2 4.24Å; I378-F406 HydrophobicContact CD1-CE1 4.23Å
379	S	83.4	Confident	69.8	Low	51 Å²	51	80 Å²	80	36%	0.357	40%	0.397	S	S	.	.			trans	-67.1	156.8	179.8	-45.8	0	0	0	0	111.3	N297 G381 E382	N297-S379 WeakPolarHBondContact CB-O 3.39Å; S379-G381 PolarHBondContact O-N 3.19Å; S379-E382 VanDerWaalsContact CB-OE2 3.23Å; S379-E382 WeakPolarHBondContact CB-OE2 3.28Å; S379-E382 PolarHBondContact N-OE2 2.95Å; S379-E382 WeakPolarHBondContact O-CB 3.23Å; S379-E382 PolarHBondContact O-N 2.71Å; S379-E382 PolarHBondContact OG-OE2 2.99Å
380	P	83.2	Confident	72.5	Confident	63 Å²	63	72.7 Å²	72.7	41%	0.409	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	125	171.1	-30.8	38.7	0	0	0	112.4	G299 E382	G299-P380 WeakPolarHBondContact O-CB 3.38Å; P380-E382 VanDerWaalsContact C-N 3.29Å; P380-E382 PolarHBondContact O-N 3.34Å
381	G	75.3	Confident	75.5	Confident	62 Å²	62	73.8 Å²	73.8	64%	0.639	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	-2.6	-176	0	0	0	0	0	115.3	N297 S379	N297-G381 WeakPolarHBondContact O-CA 3.47Å; N297-G381 PolarHBondContact O-N 3.07Å; S379-G381 PolarHBondContact O-N 3.19Å
382	E	82.8	Confident	77.8	Confident	59 Å²	59	62.3 Å²	62.3	28%	0.276	30%	0.303	S	S	.	.			trans	-82.6	151.9	177.8	-165.6	173.6	-179.4	0	0	111.7	N297 I378 S379 P380	N297-E382 PolarHBondContact N-O 3.13Å; N297-E382 VanDerWaalsContact N-O 3.08Å; I378-E382 HydrophobicContact CG2-CB 4.05Å; S379-E382 VanDerWaalsContact CB-OE2 3.23Å; S379-E382 WeakPolarHBondContact CB-OE2 3.28Å; S379-E382 PolarHBondContact N-OE2 2.95Å; S379-E382 WeakPolarHBondContact O-CB 3.23Å; S379-E382 PolarHBondContact O-N 2.71Å; S379-E382 PolarHBondContact OG-OE2 2.99Å; P380-E382 VanDerWaalsContact C-N 3.29Å; P380-E382 PolarHBondContact O-N 3.34Å
383	R	83.3	Confident	80.2	Confident	115 Å²	115	59.4 Å²	59.4	43%	0.434	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	128.8	-179.6	-163.6	-178.5	-174.6	-175.7	-0.2	111	W294 I295 Q296	W294-R383 VanDerWaalsContact CB-NH2 3.25Å; W294-R383 HydrophobicContact CE3-CG 3.81Å; W294-R383 HydrophobicContact CZ3-CG 4.43Å; I295-R383 CarbonylContact O-C 3.56Å; I295-R383 WeakPolarHBondContact O-CA 3.25Å; Q296-R383 HydrophobicContact CB-CG 4.22Å
384	V	85.7	Confident	82.1	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	146.1	-179.8	175.8	0	0	0	0	109.5	I295 V324 S325 T326 V376 I378	I295-V384 PolarHBondContact N-O 2.89Å; I295-V384 PolarHBondContact O-N 2.82Å; V324-V384 HydrophobicContact CG1-CG1 3.73Å; S325-V384 WeakPolarHBondContact O-CG1 3.14Å; T326-V384 HydrophobicContact CG2-CG2 4.05Å; V376-V384 HydrophobicContact CG1-CG1 4.1Å; V376-V384 HydrophobicContact CG1-CG2 3.92Å; I378-V384 HydrophobicContact CD1-CB 4.17Å; I378-V384 HydrophobicContact CD1-CG2 4.05Å; I378-V384 HydrophobicContact CG1-CG2 3.84Å; I378-V384 HydrophobicContact CG2-CG2 4.24Å
385	S	85	Confident	83.6	Confident	14 Å²	14	41.7 Å²	41.7	10%	0.098	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	141.4	172.3	55.7	0	0	0	0	112.2	L293 V324 S325	L293-S385 CarbonylContact O-C 3.59Å; L293-S385 WeakPolarHBondContact O-CA 3.39Å; V324-S385 CarbonylContact C-O 3.56Å; V324-S385 WeakPolarHBondContact CA-O 3.49Å; S325-S385 PolarHBondContact N-O 2.99Å; S325-S385 PolarHBondContact O-N 3.29Å; S325-S385 PolarHBondContact O-OG 2.85Å
386	V	86.1	Confident	84.2	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	121.8	168.4	179.8	0	0	0	0	107.6	L293 I295 L305 V321 V324 I388	L293-V386 HydrophobicContact CB-CB 4.5Å; L293-V386 PolarHBondContact N-O 2.86Å; L293-V386 PolarHBondContact O-N 2.94Å; I295-V386 HydrophobicContact CD1-CG2 3.63Å; I295-V386 HydrophobicContact CG1-CG2 4.44Å; L305-V386 HydrophobicContact CD2-CG2 4.25Å; V321-V386 HydrophobicContact CG1-CG1 4.27Å; V324-V386 HydrophobicContact CG1-CG2 4.26Å; V324-V386 HydrophobicContact CG2-CG1 4.47Å; V324-V386 HydrophobicContact CG2-CG2 4.23Å; V386-I388 HydrophobicContact CG1-CG1 4.28Å
387	V	86.4	Confident	84.3	Confident	18 Å²	18	35.8 Å²	35.8	11%	0.109	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.1	179.3	-173.2	0	0	0	0	109.7	E290 L291 V292 V322 T323	E290-V387 HydrophobicContact CB-CG1 4.13Å; L291-V387 WeakPolarHBondContact O-CA 3.11Å; V292-V387 HydrophobicContact CG2-CG2 4.29Å; V322-V387 HydrophobicContact CB-CB 4.26Å; V322-V387 HydrophobicContact CB-CG1 4.16Å; V322-V387 PolarHBondContact N-O 3.02Å; T323-V387 PolarHBondContact O-N 3.02Å; T323-V387 WeakPolarHBondContact OG1-CG2 3.33Å
388	I	88.1	Confident	84.3	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.9	-179.6	-53.5	178.3	0	0	0	108.3	F280 E290 L291 L293 F310 T320 V386 L402 L415	F280-I388 WeakPolarHBondContact CE1-O 3.19Å; F280-I388 HydrophobicContact CE2-CG2 4.48Å; F280-I388 HydrophobicContact CZ-CB 4.09Å; F280-I388 HydrophobicContact CZ-CG2 3.86Å; F280-I388 WeakPolarHBondContact CZ-O 3.4Å; E290-I388 CarbonylContact C-O 3.53Å; E290-I388 WeakPolarHBondContact CA-O 3.44Å; L291-I388 PolarHBondContact N-O 2.79Å; L291-I388 PolarHBondContact O-N 3.44Å; L293-I388 HydrophobicContact CD1-CD1 3.48Å; L293-I388 VanDerWaalsContact CD1-CD1 3.48Å; L293-I388 HydrophobicContact CG-CD1 4.12Å; F310-I388 HydrophobicContact CE1-CG2 4.48Å; F310-I388 HydrophobicContact CZ-CG2 4.09Å; T320-I388 CarbonylContact O-C 3.59Å; T320-I388 WeakPolarHBondContact O-CA 3.37Å; V386-I388 HydrophobicContact CG1-CG1 4.28Å; I388-L402 HydrophobicContact CD1-CD1 4.05Å; I388-L402 HydrophobicContact CD1-CD2 3.46Å; I388-L402 VanDerWaalsContact CD1-CD2 3.46Å; I388-L402 HydrophobicContact CD1-CG 4.26Å; I388-L415 HydrophobicContact CD1-CD1 3.94Å; I388-L415 HydrophobicContact CD1-CD2 4.05Å; I388-L415 HydrophobicContact CG2-CD1 3.95Å
389	A	87.2	Confident	84	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	137.4	172.5	0	0	0	0	0	110.6	C289 E290 F319 T320 V322	C289-A389 CarbonylContact O-C 3.54Å; C289-A389 WeakPolarHBondContact O-CA 3.37Å; E290-A389 HydrophobicContact CG-CB 3.98Å; F319-A389 CarbonylContact C-O 3.55Å; F319-A389 WeakPolarHBondContact CA-O 3.39Å; T320-A389 PolarHBondContact N-O 3.48Å; T320-A389 PolarHBondContact O-N 2.85Å; T320-A389 PolarHBondContact OG1-O 3.43Å; V322-A389 HydrophobicContact CG2-CB 3.41Å; V322-A389 VanDerWaalsContact CG2-CB 3.41Å
390	C	88	Confident	84	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.3	165.6	-174.8	0	0	0	0	108.9	F280 L283 R288 C289 Q318 F319	F280-C390 HydrophobicContact CD1-CB 3.48Å; F280-C390 VanDerWaalsContact CD1-CB 3.48Å; F280-C390 HydrophobicContact CD2-CB 4.35Å; F280-C390 HydrophobicContact CE1-CB 3.45Å; F280-C390 VanDerWaalsContact CE1-CB 3.45Å; F280-C390 HydrophobicContact CE2-CB 4.34Å; F280-C390 HydrophobicContact CG-CB 3.94Å; F280-C390 HydrophobicContact CZ-CB 3.91Å; L283-C390 HydrophobicContact CD1-CB 4.42Å; R288-C390 CarbonylContact C-O 3.52Å; R288-C390 VanDerWaalsContact CA-O 3.27Å; R288-C390 WeakPolarHBondContact CA-O 3.37Å; C289-C390 PolarHBondContact N-O 2.92Å; C289-C390 PolarHBondContact O-N 2.9Å; Q318-C390 CarbonylContact O-C 3.54Å; Q318-C390 VanDerWaalsContact O-CA 3.27Å; Q318-C390 WeakPolarHBondContact O-CA 3.35Å; F319-C390 HydrophobicContact CD1-CB 3.96Å; F319-C390 HydrophobicContact CE1-CB 3.94Å
391	K	89.6	Confident	83.9	Confident	115 Å²	115	26.2 Å²	26.2	50%	0.5	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	110.9	167.6	-176.5	177.3	-178.3	177.2	0	108.3	E287 Q318 K393	E287-K391 WeakPolarHBondContact O-CA 3.49Å; Q318-K391 WeakPolarHBondContact CA-O 3.32Å; Q318-K391 VanDerWaalsContact CB-O 3.3Å; Q318-K391 WeakPolarHBondContact CB-O 3.29Å; Q318-K391 WeakPolarHBondContact CG-O 3.04Å; Q318-K391 PolarHBondContact O-N 3.36Å; K391-K393 WeakPolarHBondContact O-CG 3.43Å; K391-K393 PolarHBondContact O-N 3.02Å
392	A	85.8	Confident	84.3	Confident	2 Å²	2	23.3 Å²	23.3	2%	0.017	11%	0.109	C	C	.	.			trans	-64.3	111.8	-175.8	0	0	0	0	0	111.4	L283 M284 G286 E287 V419	L283-A392 HydrophobicContact CB-CB 4.14Å; M284-A392 WeakPolarHBondContact O-CB 3.3Å; G286-A392 WeakPolarHBondContact CA-O 3.1Å; G286-A392 PolarHBondContact N-O 2.78Å; E287-A392 PolarHBondContact O-N 2.9Å; A392-V419 HydrophobicContact CB-CB 4.44Å; A392-V419 HydrophobicContact CB-CG1 3.78Å; A392-V419 HydrophobicContact CB-CG2 3.78Å
393	K	83.4	Confident	84.3	Confident	103 Å²	103	22 Å²	22	45%	0.448	10%	0.103	S	C	.	.			trans	-124.8	-27.8	-179.1	-62.9	165.2	174.4	172.2	0	113.7	A316 E317 Q318 K391	A316-K393 HydrophobicContact CB-CB 4.42Å; A316-K393 WeakPolarHBondContact O-CD 3.29Å; A316-K393 PolarHBondContact O-NZ 3.09Å; E317-K393 PolarHBondContact O-NZ 3.47Å; Q318-K393 HydrophobicContact CG-CB 3.84Å; Q318-K393 HydrophobicContact CG-CD 4.07Å; Q318-K393 HydrophobicContact CG-CG 4.22Å; K391-K393 WeakPolarHBondContact O-CG 3.43Å; K391-K393 PolarHBondContact O-N 3.02Å
394	S	82.8	Confident	84.4	Confident	8 Å²	8	16.5 Å²	16.5	6%	0.056	8%	0.083	C	C	.	.	S	Bend	trans	-117.4	130.7	-177.3	-170.1	0	0	0	0	109.8	V419	S394-V419 WeakPolarHBondContact O-CB 3.47Å; S394-V419 WeakPolarHBondContact O-CG2 3.24Å
395	L	83.5	Confident	84.2	Confident	3 Å²	3	18.8 Å²	18.8	2%	0.016	9%	0.093	C	C	.	.	S	Bend	trans	-70.8	151.6	-179	-70.1	170.1	0	0	0	112.2	L285 V419 V982 V985 L989	L285-L395 HydrophobicContact CB-CD2 4.37Å; L285-L395 HydrophobicContact CD1-CD2 4.3Å; L285-L395 HydrophobicContact CD1-CG 4.47Å; L395-V419 HydrophobicContact CD2-CG1 4.36Å; L395-V982 HydrophobicContact CB-CG1 3.76Å; L395-V985 HydrophobicContact CD1-CB 4.24Å; L395-V985 HydrophobicContact CD1-CG1 3.67Å; L395-L989 HydrophobicContact CD1-CD1 3.87Å
396	G	82.1	Confident	84.1	Confident	2 Å²	2	18.6 Å²	18.6	2%	0.021	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85.9	-166.5	-180	0	0	0	0	0	113.6	V419	G396-V419 PolarHBondContact N-O 3.21Å; G396-V419 PolarHBondContact O-N 3.31Å
397	C	80.9	Confident	83.7	Confident	21 Å²	21	21.3 Å²	21.3	14%	0.142	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	123.3	179.3	-179.8	0	0	0	0	110.9	L416 V417 R966	C397-L416 WeakPolarHBondContact SG-CD1 3.1Å; C397-V417 WeakPolarHBondContact CA-O 3.41Å; C397-R966 HydrophobicContact CB-CB 3.81Å; C397-R966 WeakPolarHBondContact CB-O 3.47Å; C397-R966 PolarHBondContact N-O 2.75Å
398	C	81.3	Confident	83.1	Confident	3 Å²	3	25 Å²	25	2%	0.02	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.1	176.1	-62.5	0	0	0	0	109.6	Q318 V417	Q318-C398 PolarHBondContact NE2-SG 2.92Å; Q318-C398 VanDerWaalsContact NE2-SG 3.38Å; C398-V417 HydrophobicContact CB-CG1 3.85Å; C398-V417 PolarHBondContact N-O 2.94Å; C398-V417 PolarHBondContact O-N 2.94Å
399	T	80.4	Confident	82.8	Confident	13 Å²	13	26.5 Å²	26.5	8%	0.08	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135.8	175.7	-52.4	0	0	0	0	110.3	W313 L415 L416 R966	W313-T399 WeakPolarHBondContact CB-O 3.24Å; W313-T399 HydrophobicContact CE3-CG2 4.03Å; W313-T399 HydrophobicContact CZ3-CG2 4.05Å; T399-L415 CarbonylContact C-O 3.55Å; T399-L415 VanDerWaalsContact CA-O 3.29Å; T399-L415 WeakPolarHBondContact CA-O 3.28Å; T399-L416 WeakPolarHBondContact OG1-CD1 3.28Å; T399-R966 PolarHBondContact OG1-NH1 3.01Å; T399-R966 VanDerWaalsContact OG1-NH1 3.08Å
400	E	82.5	Confident	82.5	Confident	6 Å²	6	28.1 Å²	28.1	3%	0.028	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	152.7	169.7	-177.2	57.1	-89	0	0	110.1	F310 G312 W313 D314 F319 L415	F310-E400 HydrophobicContact CB-CG 4.08Å; F310-E400 HydrophobicContact CD1-CG 3.6Å; F310-E400 HydrophobicContact CE1-CG 4.34Å; F310-E400 HydrophobicContact CG-CG 4.05Å; G312-E400 PolarHBondContact N-OE1 3.44Å; W313-E400 WeakPolarHBondContact CB-OE1 3.33Å; W313-E400 VanDerWaalsContact N-CD 3.31Å; W313-E400 PolarHBondContact N-OE1 2.94Å; W313-E400 PolarHBondContact N-OE2 3.48Å; D314-E400 HydrophobicContact CB-CB 4.25Å; D314-E400 HydrophobicContact CB-CG 4.44Å; D314-E400 WeakPolarHBondContact CB-OE2 3.3Å; D314-E400 PolarHBondContact N-OE2 2.67Å; F319-E400 HydrophobicContact CD2-CB 3.53Å; F319-E400 HydrophobicContact CD2-CG 4.07Å; F319-E400 HydrophobicContact CE2-CB 3.65Å; F319-E400 HydrophobicContact CG-CB 4.22Å; F319-E400 HydrophobicContact CZ-CB 4.43Å; E400-L415 HydrophobicContact CB-CB 4.44Å; E400-L415 PolarHBondContact N-O 3.06Å; E400-L415 PolarHBondContact O-N 2.58Å
401	L	82.3	Confident	82.1	Confident	6 Å²	6	28.1 Å²	28.1	3%	0.031	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	110.2	174.5	179	68.3	0	0	0	109.6	L262 L265 L266 F310 A311 W313 L403 R414	L262-L401 HydrophobicContact CD1-CD2 4.21Å; L265-L401 HydrophobicContact CD2-CD2 3.9Å; L266-L401 HydrophobicContact CD2-CD1 3.89Å; F310-L401 WeakPolarHBondContact CA-O 3.48Å; A311-L401 HydrophobicContact CB-CB 3.79Å; A311-L401 HydrophobicContact CB-CD2 4.07Å; A311-L401 HydrophobicContact CB-CG 4.24Å; A311-L401 PolarHBondContact N-O 2.87Å; W313-L401 HydrophobicContact CD2-CB 3.84Å; W313-L401 HydrophobicContact CE3-CB 3.97Å; W313-L401 HydrophobicContact CH2-CB 3.86Å; W313-L401 HydrophobicContact CH2-CD2 4.02Å; W313-L401 HydrophobicContact CH2-CG 4.37Å; W313-L401 HydrophobicContact CZ2-CB 3.7Å; W313-L401 HydrophobicContact CZ2-CD2 3.53Å; W313-L401 HydrophobicContact CZ2-CG 4.2Å; W313-L401 HydrophobicContact CZ3-CB 3.98Å; L401-L403 HydrophobicContact CD2-CD2 3.88Å; L401-L403 HydrophobicContact CG-CD2 3.93Å; L401-R414 HydrophobicContact CD1-CG 4.37Å
402	L	83.6	Confident	81.7	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	131.2	168.8	-180	77	0	0	0	109.7	L293 C308 F310 V321 I388 L404 G412 R413 L415	L293-L402 HydrophobicContact CD1-CD2 3.38Å; C308-L402 HydrophobicContact CB-CD1 4.39Å; F310-L402 HydrophobicContact CD1-CB 4.38Å; F310-L402 HydrophobicContact CD1-CD1 3.99Å; F310-L402 HydrophobicContact CE1-CB 4.29Å; F310-L402 HydrophobicContact CE1-CD1 3.57Å; F310-L402 HydrophobicContact CZ-CD1 4.2Å; V321-L402 HydrophobicContact CG2-CD1 4.36Å; I388-L402 HydrophobicContact CD1-CD1 4.05Å; I388-L402 HydrophobicContact CD1-CD2 3.46Å; I388-L402 VanDerWaalsContact CD1-CD2 3.46Å; I388-L402 HydrophobicContact CD1-CG 4.26Å; L402-L404 HydrophobicContact CD2-CD2 3.82Å; L402-L404 HydrophobicContact CD2-CG 4.12Å; L402-L404 HydrophobicContact CG-CD2 4.2Å; L402-L404 HydrophobicContact CG-CG 4.42Å; L402-G412 CarbonylContact O-C 3.6Å; L402-G412 VanDerWaalsContact O-CA 3.26Å; L402-G412 WeakPolarHBondContact O-CA 3.33Å; L402-R413 HydrophobicContact CB-CB 4.45Å; L402-R413 PolarHBondContact N-O 2.69Å; L402-R413 PolarHBondContact O-N 3.03Å; L402-L415 HydrophobicContact CB-CD1 4.16Å; L402-L415 HydrophobicContact CB-CG 4.26Å
403	L	82.4	Confident	81.5	Confident	31 Å²	31	23.2 Å²	23.2	16%	0.162	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	117.7	176	-57.5	177.2	0	0	0	109.5	L265 C308 D309 A311 L401 T410	L265-L403 HydrophobicContact CD2-CD2 3.87Å; C308-L403 WeakPolarHBondContact CA-O 3.48Å; D309-L403 PolarHBondContact N-O 3.09Å; D309-L403 PolarHBondContact O-N 2.87Å; A311-L403 HydrophobicContact CB-CD1 4.37Å; L401-L403 HydrophobicContact CD2-CD2 3.88Å; L401-L403 HydrophobicContact CG-CD2 3.93Å; L403-T410 HydrophobicContact CB-CG2 4.29Å; L403-T410 HydrophobicContact CD2-CG2 4.47Å
404	L	84.5	Confident	81.4	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	105.6	175.6	-59.5	172.6	0	0	0	108.5	V274 I295 L305 C308 L402 F406 T410 I411	V274-L404 HydrophobicContact CB-CD1 4.42Å; V274-L404 HydrophobicContact CG1-CD1 3.74Å; V274-L404 HydrophobicContact CG2-CD1 3.89Å; I295-L404 HydrophobicContact CD1-CD1 4.08Å; I295-L404 HydrophobicContact CD1-CD2 4.35Å; I295-L404 HydrophobicContact CG1-CD1 4.47Å; L305-L404 HydrophobicContact CD1-CB 4.12Å; L305-L404 HydrophobicContact CD1-CD2 4.44Å; C308-L404 HydrophobicContact CB-CD2 4.17Å; C308-L404 WeakPolarHBondContact SG-CD2 3.37Å; L402-L404 HydrophobicContact CD2-CD2 3.82Å; L402-L404 HydrophobicContact CD2-CG 4.12Å; L402-L404 HydrophobicContact CG-CD2 4.2Å; L402-L404 HydrophobicContact CG-CG 4.42Å; L404-F406 HydrophobicContact CB-CE2 3.8Å; L404-F406 WeakPolarHBondContact O-CD2 3.41Å; L404-T410 WeakPolarHBondContact O-CA 3.18Å; L404-I411 WeakPolarHBondContact CB-O 3.32Å; L404-I411 PolarHBondContact N-O 2.78Å; L404-I411 PolarHBondContact O-N 2.79Å
405	H	82.2	Confident	81.4	Confident	49 Å²	49	23.7 Å²	23.7	23%	0.227	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	112.3	-175.8	-64.7	-66.1	0	0	0	110.7	K306 C307 D309 T410	K306-H405 PolarHBondContact N-O 3.15Å; C307-H405 PolarHBondContact O-N 2.92Å; C307-H405 PolarHBondContact SG-CD2 2.62Å; D309-H405 IonicContact OD2-CD2 3.32Å; H405-T410 WeakPolarHBondContact ND1-CG2 3.42Å; H405-T410 PolarHBondContact ND1-OG1 3.29Å
406	F	82.6	Confident	81.4	Confident	9 Å²	9	26.2 Å²	26.2	4%	0.039	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	167.7	172.8	-64.8	-91.7	0	0	0	110.6	I272 I295 Q303 T304 L305 I378 L404 S408 F409 I411	I272-F406 HydrophobicContact CD1-CE1 4.37Å; I272-F406 HydrophobicContact CG1-CE1 4.25Å; I272-F406 HydrophobicContact CG2-CE1 4.22Å; I272-F406 HydrophobicContact CG2-CE2 4.39Å; I272-F406 HydrophobicContact CG2-CZ 3.78Å; I295-F406 HydrophobicContact CD1-CZ 4.44Å; I295-F406 HydrophobicContact CG2-CE1 4.34Å; I295-F406 HydrophobicContact CG2-CZ 3.97Å; Q303-F406 HydrophobicContact CB-CD1 4.33Å; T304-F406 VanDerWaalsContact O-CA 3.3Å; T304-F406 WeakPolarHBondContact O-CA 3.08Å; L305-F406 HydrophobicContact CB-CD1 4.3Å; L305-F406 HydrophobicContact CB-CE1 4.01Å; L305-F406 HydrophobicContact CD1-CD1 4.38Å; L305-F406 HydrophobicContact CD1-CD2 4.47Å; L305-F406 HydrophobicContact CD1-CE1 4.01Å; L305-F406 HydrophobicContact CD1-CE2 4.1Å; L305-F406 HydrophobicContact CD1-CZ 3.85Å; I378-F406 HydrophobicContact CD1-CE1 4.23Å; L404-F406 HydrophobicContact CB-CE2 3.8Å; L404-F406 WeakPolarHBondContact O-CD2 3.41Å; F406-S408 PolarHBondContact O-N 2.68Å; F406-S408 VanDerWaalsContact O-N 3.12Å; F406-F409 CarbonylContact C-O 3.6Å; F406-F409 WeakPolarHBondContact CA-O 3.23Å; F406-F409 HydrophobicContact CB-CD2 4.12Å; F406-F409 HydrophobicContact CB-CE1 4.33Å; F406-F409 HydrophobicContact CB-CE2 3.87Å; F406-F409 HydrophobicContact CB-CG 4.47Å; F406-F409 HydrophobicContact CB-CZ 3.98Å; F406-F409 WeakPolarHBondContact CB-O 3.45Å; F406-F409 HydrophobicContact CD2-CD2 4.01Å; F406-F409 AromaticContact CD2-CE2 3.52Å; F406-F409 HydrophobicContact CD2-CE2 3.52Å; F406-F409 HydrophobicContact CD2-CZ 4.24Å; F406-F409 HydrophobicContact CE2-CE2 4.2Å; F406-F409 HydrophobicContact CG-CD2 4.33Å; F406-F409 AromaticContact CG-CE2 3.72Å; F406-F409 HydrophobicContact CG-CE2 3.72Å; F406-F409 AromaticContact CG-CZ 4Å; F406-F409 HydrophobicContact CG-CZ 4Å; F406-F409 PolarHBondContact N-O 2.75Å; F406-I411 HydrophobicContact CD2-CD1 4.5Å; F406-I411 HydrophobicContact CD2-CG1 4.48Å; F406-I411 HydrophobicContact CE2-CB 4.41Å; F406-I411 HydrophobicContact CE2-CD1 4.01Å; F406-I411 HydrophobicContact CE2-CG1 4.26Å
407	S	77.4	Confident	81.5	Confident	58 Å²	58	26.1 Å²	26.1	41%	0.406	14%	0.141	S	C	.	.	S	Bend	trans	-54.2	-33.5	-177.1	-72.2	0	0	0	0	115.1	T304 K306	T304-S407 PolarHBondContact O-N 2.94Å; K306-S407 WeakPolarHBondContact CE-OG 3.19Å
408	S	74.6	Confident	81.6	Confident	94 Å²	94	27.8 Å²	27.8	66%	0.657	15%	0.15	S	C	*	.	S	Bend	trans	-122.5	-9.1	-174.1	52.5	0	0	0	0	115	F406	F406-S408 PolarHBondContact O-N 2.68Å; F406-S408 VanDerWaalsContact O-N 3.12Å
409	F	82.1	Confident	81.7	Confident	32 Å²	32	27.7 Å²	27.7	14%	0.14	15%	0.149	C	C	.	.			trans	-156.5	173.4	-178.3	57.6	-93.8	0	0	0	111.9	K269 I272 F406 I411	K269-F409 HydrophobicContact CB-CD1 4.47Å; K269-F409 HydrophobicContact CB-CD2 3.55Å; K269-F409 HydrophobicContact CB-CE2 3.78Å; K269-F409 HydrophobicContact CB-CG 3.94Å; K269-F409 HydrophobicContact CB-CZ 4.34Å; K269-F409 HydrophobicContact CD-CB 4.18Å; K269-F409 HydrophobicContact CD-CD2 4.22Å; K269-F409 HydrophobicContact CD-CG 4.41Å; K269-F409 WeakPolarHBondContact O-CE2 3.33Å; K269-F409 VanDerWaalsContact O-CZ 3.28Å; K269-F409 WeakPolarHBondContact O-CZ 3.44Å; I272-F409 HydrophobicContact CB-CZ 4.47Å; I272-F409 HydrophobicContact CG1-CZ 4.01Å; F406-F409 CarbonylContact C-O 3.6Å; F406-F409 WeakPolarHBondContact CA-O 3.23Å; F406-F409 HydrophobicContact CB-CD2 4.12Å; F406-F409 HydrophobicContact CB-CE1 4.33Å; F406-F409 HydrophobicContact CB-CE2 3.87Å; F406-F409 HydrophobicContact CB-CG 4.47Å; F406-F409 HydrophobicContact CB-CZ 3.98Å; F406-F409 WeakPolarHBondContact CB-O 3.45Å; F406-F409 HydrophobicContact CD2-CD2 4.01Å; F406-F409 AromaticContact CD2-CE2 3.52Å; F406-F409 HydrophobicContact CD2-CE2 3.52Å; F406-F409 HydrophobicContact CD2-CZ 4.24Å; F406-F409 HydrophobicContact CE2-CE2 4.2Å; F406-F409 HydrophobicContact CG-CD2 4.33Å; F406-F409 AromaticContact CG-CE2 3.72Å; F406-F409 HydrophobicContact CG-CE2 3.72Å; F406-F409 AromaticContact CG-CZ 4Å; F406-F409 HydrophobicContact CG-CZ 4Å; F406-F409 PolarHBondContact N-O 2.75Å; F409-I411 HydrophobicContact CD2-CD1 4.33Å; F409-I411 HydrophobicContact CD2-CG1 3.93Å; F409-I411 HydrophobicContact CE2-CD1 3.74Å; F409-I411 HydrophobicContact CE2-CG1 3.86Å
410	T	79.6	Confident	81.8	Confident	35 Å²	35	27.8 Å²	27.8	22%	0.215	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	137.5	173.4	-59.8	0	0	0	0	109.8	L265 K269 L403 L404 H405	L265-T410 HydrophobicContact CD1-CG2 3.96Å; K269-T410 PolarHBondContact NZ-O 2.69Å; K269-T410 VanDerWaalsContact NZ-O 3.1Å; L403-T410 HydrophobicContact CB-CG2 4.29Å; L403-T410 HydrophobicContact CD2-CG2 4.47Å; L404-T410 WeakPolarHBondContact O-CA 3.18Å; H405-T410 WeakPolarHBondContact ND1-CG2 3.42Å; H405-T410 PolarHBondContact ND1-OG1 3.29Å
411	I	79.9	Confident	82.1	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.2	172.5	-61.1	177.2	0	0	0	108	K269 I272 V274 L404 F406 F409	K269-I411 HydrophobicContact CB-CD1 4.41Å; K269-I411 HydrophobicContact CB-CG1 4.27Å; I272-I411 HydrophobicContact CB-CD1 4.09Å; I272-I411 HydrophobicContact CG2-CD1 3.98Å; V274-I411 HydrophobicContact CG2-CD1 4.08Å; V274-I411 HydrophobicContact CG2-CG2 4.14Å; L404-I411 WeakPolarHBondContact CB-O 3.32Å; L404-I411 PolarHBondContact N-O 2.78Å; L404-I411 PolarHBondContact O-N 2.79Å; F406-I411 HydrophobicContact CD2-CD1 4.5Å; F406-I411 HydrophobicContact CD2-CG1 4.48Å; F406-I411 HydrophobicContact CE2-CB 4.41Å; F406-I411 HydrophobicContact CE2-CD1 4.01Å; F406-I411 HydrophobicContact CE2-CG1 4.26Å; F409-I411 HydrophobicContact CD2-CD1 4.33Å; F409-I411 HydrophobicContact CD2-CG1 3.93Å; F409-I411 HydrophobicContact CE2-CD1 3.74Å; F409-I411 HydrophobicContact CE2-CG1 3.86Å
412	G	81.3	Confident	82.2	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	145.1	174	0	0	0	0	0	111.8	L265 L266 L402	L265-G412 PolarHBondContact O-N 2.98Å; L266-G412 WeakPolarHBondContact CD2-O 3.27Å; L402-G412 CarbonylContact O-C 3.6Å; L402-G412 VanDerWaalsContact O-CA 3.26Å; L402-G412 WeakPolarHBondContact O-CA 3.33Å
413	R	82.9	Confident	82.2	Confident	15 Å²	15	36.7 Å²	36.7	6%	0.057	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	126	169.4	-74.1	-67.9	177.5	-98.2	15.5	110.6	L266 N268 V274 D276 L402 L415	L266-R413 PolarHBondContact O-NH1 3.3Å; N268-R413 PolarHBondContact OD1-NH2 2.74Å; V274-R413 HydrophobicContact CG1-CG 3.83Å; V274-R413 PolarHBondContact O-NE 3.42Å; V274-R413 PolarHBondContact O-NH2 3.15Å; D276-R413 IonicContact OD1-CZ 2.69Å; D276-R413 IonicContact OD1-NE 2.94Å; D276-R413 IonicContact OD1-NH2 3.58Å; D276-R413 PolarHBondContact OD1-NH2 3.09Å; L402-R413 HydrophobicContact CB-CB 4.45Å; L402-R413 PolarHBondContact N-O 2.69Å; L402-R413 PolarHBondContact O-N 3.03Å; R413-L415 PolarHBondContact O-N 3.14Å
414	R	81.1	Confident	82.2	Confident	121 Å²	121	37 Å²	37	46%	0.457	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	125.4	174.5	-69.3	-175	-175	170.9	4.8	109.1	L266 L401	L266-R414 HydrophobicContact CD2-CG 4Å; L401-R414 HydrophobicContact CD1-CG 4.37Å
415	L	83.1	Confident	82	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129.2	171.5	-56.6	-179.5	0	0	0	108.5	G278 F280 L291 L293 F310 F319 I388 T399 E400 L402 R413	G278-L415 CarbonylContact O-C 3.56Å; G278-L415 VanDerWaalsContact O-CA 3.28Å; G278-L415 WeakPolarHBondContact O-CA 3.3Å; F280-L415 HydrophobicContact CE2-CB 4.41Å; F280-L415 HydrophobicContact CE2-CD2 4.38Å; L291-L415 HydrophobicContact CD2-CD2 4.45Å; L293-L415 HydrophobicContact CD1-CD2 4.38Å; F310-L415 HydrophobicContact CD1-CD1 4.43Å; F310-L415 HydrophobicContact CE1-CD1 3.66Å; F319-L415 HydrophobicContact CD1-CB 4.33Å; F319-L415 HydrophobicContact CD1-CD1 3.98Å; F319-L415 HydrophobicContact CE1-CB 3.97Å; F319-L415 HydrophobicContact CE1-CD1 4.43Å; F319-L415 HydrophobicContact CG-CD1 4.37Å; F319-L415 HydrophobicContact CZ-CB 4.29Å; I388-L415 HydrophobicContact CD1-CD1 3.94Å; I388-L415 HydrophobicContact CD1-CD2 4.05Å; I388-L415 HydrophobicContact CG2-CD1 3.95Å; T399-L415 CarbonylContact C-O 3.55Å; T399-L415 VanDerWaalsContact CA-O 3.29Å; T399-L415 WeakPolarHBondContact CA-O 3.28Å; E400-L415 HydrophobicContact CB-CB 4.44Å; E400-L415 PolarHBondContact N-O 3.06Å; E400-L415 PolarHBondContact O-N 2.58Å; L402-L415 HydrophobicContact CB-CD1 4.16Å; L402-L415 HydrophobicContact CB-CG 4.26Å; R413-L415 PolarHBondContact O-N 3.14Å
416	L	81.6	Confident	81.9	Confident	55 Å²	55	43 Å²	43	29%	0.288	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131	-178.1	-169	71.6	0	0	0	109.5	G278 Q279 F280 C397 T399	G278-L416 PolarHBondContact O-N 3.31Å; Q279-L416 HydrophobicContact CG-CB 4.36Å; Q279-L416 HydrophobicContact CG-CD2 4.47Å; F280-L416 PolarHBondContact N-O 2.87Å; C397-L416 WeakPolarHBondContact SG-CD1 3.1Å; T399-L416 WeakPolarHBondContact OG1-CD1 3.28Å
417	V	84.7	Confident	81.8	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	139.4	171.1	67.4	0	0	0	0	109.6	F280 L283 F319 C397 C398 V419	F280-V417 HydrophobicContact CB-CB 3.99Å; F280-V417 HydrophobicContact CB-CG2 3.86Å; L283-V417 HydrophobicContact CB-CG2 4.44Å; L283-V417 HydrophobicContact CD1-CG2 3.7Å; L283-V417 HydrophobicContact CG-CG2 3.99Å; F319-V417 HydrophobicContact CE1-CB 4.47Å; F319-V417 HydrophobicContact CE1-CG1 4.29Å; F319-V417 HydrophobicContact CE2-CG1 4.31Å; F319-V417 HydrophobicContact CZ-CB 4.13Å; F319-V417 HydrophobicContact CZ-CG1 3.57Å; C397-V417 WeakPolarHBondContact CA-O 3.41Å; C398-V417 HydrophobicContact CB-CG1 3.85Å; C398-V417 PolarHBondContact N-O 2.94Å; C398-V417 PolarHBondContact O-N 2.94Å; V417-V419 HydrophobicContact CG1-CG2 4.28Å; V417-V419 HydrophobicContact CG2-CG2 4.14Å
418	T	83.8	Confident	81.9	Confident	55 Å²	55	45.9 Å²	45.9	34%	0.337	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.5	169.8	-56.6	0	0	0	0	107.8	G281 D282 L283	G281-T418 PolarHBondContact O-N 3.12Å; G281-T418 VanDerWaalsContact O-N 3.1Å; D282-T418 CarbonylContact C-O 3.54Å; D282-T418 WeakPolarHBondContact CA-O 3.43Å; D282-T418 WeakPolarHBondContact OD1-CB 3.47Å; L283-T418 PolarHBondContact N-O 3.32Å
419	V	83.9	Confident	81.8	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	118.4	179.3	-178.9	0	0	0	0	110	L283 L285 A392 S394 L395 G396 V417	L283-V419 CarbonylContact O-C 3.49Å; L283-V419 VanDerWaalsContact O-CA 3.27Å; L283-V419 WeakPolarHBondContact O-CA 3.47Å; L285-V419 HydrophobicContact CB-CG1 4.34Å; L285-V419 HydrophobicContact CD1-CG1 4.11Å; A392-V419 HydrophobicContact CB-CB 4.44Å; A392-V419 HydrophobicContact CB-CG1 3.78Å; A392-V419 HydrophobicContact CB-CG2 3.78Å; S394-V419 WeakPolarHBondContact O-CB 3.47Å; S394-V419 WeakPolarHBondContact O-CG2 3.24Å; L395-V419 HydrophobicContact CD2-CG1 4.36Å; G396-V419 PolarHBondContact N-O 3.21Å; G396-V419 PolarHBondContact O-N 3.31Å; V417-V419 HydrophobicContact CG1-CG2 4.28Å; V417-V419 HydrophobicContact CG2-CG2 4.14Å
420	G	82.4	Confident	81.2	Confident	16 Å²	16	47 Å²	47	17%	0.165	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	169.8	175.2	0	0	0	0	0	113.6	L283 M284 L285 E424	L283-G420 PolarHBondContact O-N 3.15Å; M284-G420 CarbonylContact C-O 3.54Å; M284-G420 WeakPolarHBondContact CA-O 3.46Å; L285-G420 PolarHBondContact N-O 3.32Å; G420-E424 VanDerWaalsContact CA-OE1 3.3Å; G420-E424 WeakPolarHBondContact CA-OE1 3.39Å
421	S	87.6	Confident	80.8	Confident	17 Å²	17	52 Å²	52	12%	0.119	27%	0.268	C	S	.	.			trans	-123.9	149	168.9	175.7	0	0	0	0	111.5	D423 E424	S421-D423 PolarHBondContact O-N 3.34Å; S421-D423 VanDerWaalsContact O-N 3.16Å; S421-D423 PolarHBondContact OG-N 2.86Å; S421-E424 PolarHBondContact N-OE1 2.83Å; S421-E424 WeakPolarHBondContact O-CB 3.34Å; S421-E424 PolarHBondContact O-N 2.83Å
422	E	84.3	Confident	80.4	Confident	152 Å²	152	58 Å²	58	71%	0.71	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-56.4	-29.9	171.1	-66.8	-173.1	170.6	0	0	112.5	E424 N425	E422-E424 PolarHBondContact O-N 3.13Å; E422-N425 VanDerWaalsContact O-CB 3.32Å; E422-N425 WeakPolarHBondContact O-CB 3.33Å; E422-N425 PolarHBondContact O-N 2.94Å; E422-N425 PolarHBondContact O-ND2 3.1Å
423	D	84.1	Confident	79.9	Confident	30 Å²	30	61 Å²	61	16%	0.16	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-65.6	-25.1	177.6	-70.7	-47.1	0	0	0	112.9	S421 N425 L426 V985 L1023 K1026	S421-D423 PolarHBondContact O-N 3.34Å; S421-D423 VanDerWaalsContact O-N 3.16Å; S421-D423 PolarHBondContact OG-N 2.86Å; D423-N425 PolarHBondContact O-N 2.79Å; D423-L426 WeakPolarHBondContact O-CB 3.32Å; D423-L426 PolarHBondContact O-N 2.84Å; D423-V985 HydrophobicContact CB-CG1 4.41Å; D423-V985 HydrophobicContact CB-CG2 3.92Å; D423-L1023 HydrophobicContact CB-CD2 4.37Å; D423-K1026 IonicContact OD1-NZ 2.79Å; D423-K1026 PolarHBondContact OD1-NZ 2.63Å
424	E	83.3	Confident	78.7	Confident	37 Å²	37	64.2 Å²	64.2	17%	0.173	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-66.4	-27.4	175.9	-64.6	176.1	-137.7	0	0	111.9	G420 S421 E422 L426 L427 K428 P981 V985	G420-E424 VanDerWaalsContact CA-OE1 3.3Å; G420-E424 WeakPolarHBondContact CA-OE1 3.39Å; S421-E424 PolarHBondContact N-OE1 2.83Å; S421-E424 WeakPolarHBondContact O-CB 3.34Å; S421-E424 PolarHBondContact O-N 2.83Å; E422-E424 PolarHBondContact O-N 3.13Å; E424-L426 PolarHBondContact O-N 3.28Å; E424-L427 PolarHBondContact O-N 3.23Å; E424-K428 PolarHBondContact O-N 2.71Å; E424-P981 HydrophobicContact CB-CB 4.37Å; E424-P981 HydrophobicContact CG-CB 4.27Å; E424-V985 HydrophobicContact CG-CG2 3.85Å
425	N	79.8	Confident	77.4	Confident	79 Å²	79	62.6 Å²	62.6	42%	0.422	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-61.6	-27.8	176.2	-67.4	-50.3	0	0	0	112.2	E422 D423 L427 K428	E422-N425 VanDerWaalsContact O-CB 3.32Å; E422-N425 WeakPolarHBondContact O-CB 3.33Å; E422-N425 PolarHBondContact O-N 2.94Å; E422-N425 PolarHBondContact O-ND2 3.1Å; D423-N425 PolarHBondContact O-N 2.79Å; N425-L427 PolarHBondContact O-N 2.78Å; N425-K428 WeakPolarHBondContact OD1-CE 3.46Å; N425-K428 PolarHBondContact OD1-NZ 2.74Å
426	L	79.3	Confident	75.8	Confident	96 Å²	96	66.8 Å²	66.8	50%	0.503	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-72.6	-17.6	175.3	-60.9	176.5	0	0	0	112.9	D423 E424 K1026	D423-L426 WeakPolarHBondContact O-CB 3.32Å; D423-L426 PolarHBondContact O-N 2.84Å; E424-L426 PolarHBondContact O-N 3.28Å; L426-K1026 HydrophobicContact CD1-CD 3.55Å
427	L	81.7	Confident	73.9	Confident	0 Å²	0	71 Å²	71	0%	0	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-106.4	1.2	-174.3	-56.1	-171.5	0	0	0	113.4	E424 N425 F979 P981 A984 K1019 L1023	E424-L427 PolarHBondContact O-N 3.23Å; N425-L427 PolarHBondContact O-N 2.78Å; L427-F979 VanDerWaalsContact O-CE2 3.25Å; L427-F979 WeakPolarHBondContact O-CE2 3.06Å; L427-P981 HydrophobicContact CB-CB 4.1Å; L427-P981 HydrophobicContact CB-CG 4.35Å; L427-P981 HydrophobicContact CD1-CB 4.19Å; L427-A984 HydrophobicContact CD1-CB 3.81Å; L427-K1019 HydrophobicContact CB-CD 4.45Å; L427-K1019 HydrophobicContact CD1-CB 4.32Å; L427-K1019 HydrophobicContact CD2-CB 4.02Å; L427-K1019 HydrophobicContact CD2-CD 3.92Å; L427-K1019 HydrophobicContact CD2-CG 4.45Å; L427-L1023 HydrophobicContact CD1-CD1 3.75Å; L427-L1023 HydrophobicContact CD1-CD2 4.3Å; L427-L1023 HydrophobicContact CD1-CG 4.05Å; L427-L1023 HydrophobicContact CD2-CD2 4.07Å; L427-L1023 HydrophobicContact CD2-CG 4.06Å; L427-L1023 HydrophobicContact CG-CD2 4.24Å; L427-L1023 HydrophobicContact CG-CG 4.39Å
428	K	78.8	Confident	71.9	Confident	128 Å²	128	74.9 Å²	74.9	56%	0.557	43%	0.43	S	S	*	.	S	Bend	trans	-53.9	142.3	175.3	-73.5	-179.9	176.6	172.4	0	110.3	E424 N425 S430	E424-K428 PolarHBondContact O-N 2.71Å; N425-K428 WeakPolarHBondContact OD1-CE 3.46Å; N425-K428 PolarHBondContact OD1-NZ 2.74Å; K428-S430 PolarHBondContact O-N 2.99Å
429	P	73.7	Confident	70	Confident	41 Å²	41	81 Å²	81	27%	0.266	45%	0.452	S	S	.	.			trans	-61.2	130.5	-179.9	25.7	-33.8	0	0	0	109.5	E431 M970 E972 F979	P429-E431 PolarHBondContact O-N 2.84Å; P429-M970 VanDerWaalsContact CD-CE 3.43Å; P429-M970 HydrophobicContact CG-CE 3.71Å; P429-E972 HydrophobicContact CB-CB 3.92Å; P429-F979 HydrophobicContact CB-CZ 4.36Å
430	S	69.1	Low	67.8	Low	107 Å²	107	87.9 Å²	87.9	75%	0.748	49%	0.493	S	S	*	.	S	Bend	trans	-63.4	-34.4	178	-52.7	0	0	0	0	111.8	K428	K428-S430 PolarHBondContact O-N 2.99Å
431	E	69.9	Low	65.9	Low	141 Å²	141	92.4 Å²	92.4	66%	0.659	51%	0.513	S	S	*	.	S	Bend	trans	-145.5	150.5	177.7	-64.7	-174.6	168.9	0	0	110.7	P429 E972 G973	P429-E431 PolarHBondContact O-N 2.84Å; E431-E972 WeakPolarHBondContact O-CA 3.39Å; E431-G973 PolarHBondContact O-N 3.06Å
432	V	71.4	Confident	63.8	Low	126 Å²	126	96.7 Å²	96.7	76%	0.764	54%	0.543	S	S	*	.			trans	-66.7	141.9	178	-179.9	0	0	0	0	110.8	C434	V432-C434 PolarHBondContact O-N 2.95Å
433	Y	71.1	Confident	61.9	Low	62 Å²	62	99 Å²	99	24%	0.243	55%	0.551	C	S	.	*			trans	-65.2	123.1	-178.5	177.3	-101.2	0	0	0	113.1	P435 R971 G973 N975	Y433-P435 HydrophobicContact CE1-CB 4.4Å; Y433-P435 HydrophobicContact CE1-CG 4.31Å; Y433-R971 HydrophobicContact CD2-CB 4.03Å; Y433-R971 HydrophobicContact CG-CB 3.92Å; Y433-G973 CarbonylContact C-O 3.52Å; Y433-G973 WeakPolarHBondContact CA-O 3.42Å; Y433-G973 WeakPolarHBondContact CD2-O 3.35Å; Y433-N975 WeakPolarHBondContact CD2-O 3.27Å; Y433-N975 VanDerWaalsContact CE2-O 3.3Å; Y433-N975 WeakPolarHBondContact CE2-O 3.45Å
434	C	58	Low	59.9	Low	83 Å²	83	102.1 Å²	102.1	56%	0.561	58%	0.581	S	S	*	*			trans	-128.3	118.8	173.4	-75.7	0	0	0	0	109.5	V432 S436 G973 N974	V432-C434 PolarHBondContact O-N 2.95Å; C434-S436 PolarHBondContact O-N 3.23Å; C434-G973 PolarHBondContact N-O 2.98Å; C434-N974 WeakPolarHBondContact O-CA 3.14Å
435	P	54	Low	58.3	Low	87 Å²	87	102.9 Å²	102.9	57%	0.565	59%	0.589	S	S	*	*			trans	-61.6	130.9	178.2	10.3	-11	0	0	0	110.9	Y433 N437	Y433-P435 HydrophobicContact CE1-CB 4.4Å; Y433-P435 HydrophobicContact CE1-CG 4.31Å; P435-N437 PolarHBondContact O-N 3.16Å
436	S	49.7	Very low	56.8	Low	89 Å²	89	103.7 Å²	103.7	62%	0.622	60%	0.601	S	S	*	*			trans	-68.4	113.5	174.8	-172.3	0	0	0	0	109.3	C434 A438	C434-S436 PolarHBondContact O-N 3.23Å; S436-A438 PolarHBondContact O-N 3.49Å
437	N	42.2	Very low	55.8	Low	143 Å²	143	105.8 Å²	105.8	77%	0.765	61%	0.608	S	S	*	*			trans	-73.4	123.2	166.8	-77.3	-24.2	0	0	0	108	P435 K439	P435-N437 PolarHBondContact O-N 3.16Å; N437-K439 PolarHBondContact O-N 3.12Å
438	A	42.8	Very low	55.2	Low	82 Å²	82	109 Å²	109	68%	0.678	63%	0.627	S	S	*	*			trans	-51.7	114.8	174.1	0	0	0	0	0	109.4	S436 V440	S436-A438 PolarHBondContact O-N 3.49Å; A438-V440 PolarHBondContact O-N 2.9Å
439	K	43.8	Very low	54.9	Low	184 Å²	184	106 Å²	106	80%	0.8	62%	0.619	S	S	*	*			trans	-66.7	109.8	172.2	-75.8	-178.2	179.2	175.7	0	107.6	N437 L441	N437-K439 PolarHBondContact O-N 3.12Å; K439-L441 PolarHBondContact O-N 3.25Å; K439-L441 VanDerWaalsContact O-N 3.11Å
440	V	37	Very low	54.9	Low	145 Å²	145	107.4 Å²	107.4	88%	0.879	63%	0.627	S	S	*	*			trans	-64.9	107.3	167.8	178.5	0	0	0	0	107.2	A438	A438-V440 PolarHBondContact O-N 2.9Å
441	L	43.5	Very low	55.3	Low	111 Å²	111	104.1 Å²	104.1	58%	0.581	60%	0.603	S	S	*	*			trans	-88.8	146.8	172	-104	147.7	0	0	0	111.2	K439	K439-L441 PolarHBondContact O-N 3.25Å; K439-L441 VanDerWaalsContact O-N 3.11Å
442	S	42.3	Very low	55.2	Low	107 Å²	107	100 Å²	100	75%	0.748	59%	0.589	S	S	*	*			trans	-69.1	167.5	-156.6	49.4	0	0	0	0	117.1
443	K	44.2	Very low	55	Low	201 Å²	201	94.1 Å²	94.1	87%	0.874	55%	0.554	S	S	*	*			trans	-28.7	135.8	172.1	-87.8	177.5	172.7	175.4	0	114.5
444	A	43.3	Very low	54.4	Low	95 Å²	95	94.3 Å²	94.3	79%	0.785	56%	0.563	S	S	*	*			trans	-52.5	127.7	172.3	0	0	0	0	0	111.4
445	P	48.1	Very low	54.2	Low	54 Å²	54	98.2 Å²	98.2	35%	0.351	57%	0.57	S	S	.	*			trans	-66.5	154.1	178.4	26.8	-33.8	0	0	0	111.4	V448 E571	P445-V448 HydrophobicContact CG-CG2 3.71Å; P445-E571 HydrophobicContact CB-CB 4.2Å; P445-E571 HydrophobicContact CG-CB 4.22Å; P445-E571 WeakPolarHBondContact CG-OE2 3.39Å
446	S	48.6	Very low	53.9	Low	96 Å²	96	98 Å²	98	67%	0.671	57%	0.567	S	S	*	*	S	Bend	trans	-69.3	-37.9	-176.9	45.6	0	0	0	0	112.6
447	H	59.1	Low	53.7	Low	140 Å²	140	100.1 Å²	100.1	65%	0.648	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-145.2	132.1	177.8	-76.2	-18.9	0	0	0	112.1	L570 E571	H447-L570 HydrophobicContact CB-CD1 4.2Å; H447-E571 PolarHBondContact O-N 3.07Å
448	V	68.4	Low	53.7	Low	68 Å²	68	96.9 Å²	96.9	41%	0.412	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.5	128.1	178	-178.1	0	0	0	0	109.5	P445 E571 E573	P445-V448 HydrophobicContact CG-CG2 3.71Å; V448-E571 WeakPolarHBondContact CA-O 3.2Å; V448-E573 HydrophobicContact CG1-CB 3.91Å
449	V	72.4	Confident	53.8	Low	63 Å²	63	105.3 Å²	105.3	38%	0.382	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.3	112.6	173.9	175.4	0	0	0	0	109	L570 E571 M572 E573	V449-L570 HydrophobicContact CG2-CD1 3.92Å; V449-L570 HydrophobicContact CG2-CD2 4.32Å; V449-L570 HydrophobicContact CG2-CG 4.32Å; V449-E571 PolarHBondContact N-O 3.21Å; V449-M572 HydrophobicContact CB-SD 3.68Å; V449-M572 HydrophobicContact CG1-CE 4.42Å; V449-M572 HydrophobicContact CG1-SD 3.87Å; V449-M572 HydrophobicContact CG2-SD 4.46Å; V449-E573 PolarHBondContact O-N 3.46Å
450	T	74.4	Confident	53.9	Low	71 Å²	71	98.8 Å²	98.8	44%	0.436	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	116.8	-177.1	-49.4	0	0	0	0	111.7	E573 I575	T450-E573 CarbonylContact C-O 3.52Å; T450-E573 VanDerWaalsContact CA-O 3.26Å; T450-E573 WeakPolarHBondContact CA-O 3.44Å; T450-E573 WeakPolarHBondContact CG2-OE2 3.41Å; T450-E573 PolarHBondContact OG1-OE2 2.87Å; T450-I575 HydrophobicContact CG2-CD1 3.46Å; T450-I575 VanDerWaalsContact CG2-CD1 3.46Å; T450-I575 HydrophobicContact CG2-CG1 3.65Å
451	V	76.3	Confident	54	Low	39 Å²	39	96.1 Å²	96.1	24%	0.236	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	113	175.5	179.9	0	0	0	0	109	M572 E573 Y574 I575 N591	V451-M572 HydrophobicContact CG2-CE 4.17Å; V451-E573 PolarHBondContact N-O 3.17Å; V451-Y574 HydrophobicContact CB-CD1 3.63Å; V451-Y574 HydrophobicContact CB-CE1 3.86Å; V451-Y574 HydrophobicContact CG1-CD1 3.96Å; V451-Y574 HydrophobicContact CG1-CE1 4.15Å; V451-Y574 HydrophobicContact CG2-CD1 4.28Å; V451-Y574 HydrophobicContact CG2-CE1 4.01Å; V451-Y574 WeakPolarHBondContact O-CA 3.34Å; V451-I575 PolarHBondContact O-N 3.4Å; V451-N591 HydrophobicContact CG1-CB 3.98Å
452	S	68.6	Low	54.2	Low	54 Å²	54	97.9 Å²	97.9	38%	0.378	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	136.8	-177.6	-158.4	0	0	0	0	112.8	N591	S452-N591 PolarHBondContact O-ND2 3.33Å
453	A	67.1	Low	55	Low	3 Å²	3	94.8 Å²	94.8	3%	0.025	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-62.3	139.4	163.8	0	0	0	0	0	110.5	K455 I575 Y577	A453-K455 PolarHBondContact O-N 3.31Å; A453-I575 VanDerWaalsContact CB-O 3.32Å; A453-I575 WeakPolarHBondContact CB-O 3.48Å; A453-I575 PolarHBondContact N-O 2.84Å; A453-I575 VanDerWaalsContact N-O 3.09Å; A453-Y577 HydrophobicContact CB-CD2 4.32Å; A453-Y577 HydrophobicContact CB-CE2 4.42Å
454	P	59.3	Low	55.6	Low	65 Å²	65	94.8 Å²	94.8	42%	0.422	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-58.5	119.8	171	22	-28.4	0	0	0	108.5	V456	P454-V456 PolarHBondContact O-N 3.47Å
455	K	52.5	Low	56.7	Low	166 Å²	166	93 Å²	93	72%	0.722	48%	0.48	S	S	*	.			trans	-56.8	111	173.1	-73.8	-177.2	179.7	178.7	0	107.3	A453 L457 Y577	A453-K455 PolarHBondContact O-N 3.31Å; K455-L457 PolarHBondContact O-N 2.93Å; K455-Y577 VanDerWaalsContact CE-OH 3.24Å; K455-Y577 WeakPolarHBondContact CE-OH 3.27Å; K455-Y577 HydrophobicContact CG-CE2 4.14Å
456	V	48	Very low	57.3	Low	81 Å²	81	94 Å²	94	49%	0.491	49%	0.486	S	S	.	.			trans	-73.6	121	164.1	159.5	0	0	0	0	107.1	P454 P458	P454-V456 PolarHBondContact O-N 3.47Å; V456-P458 VanDerWaalsContact O-CD 3.27Å; V456-P458 WeakPolarHBondContact O-CD 3.42Å; V456-P458 VanDerWaalsContact O-N 3.13Å
457	L	45.9	Very low	58.5	Low	135 Å²	135	93.4 Å²	93.4	71%	0.707	48%	0.475	S	S	*	.			trans	-50.8	114.7	160	-74.5	151.8	0	0	0	106.3	K455	K455-L457 PolarHBondContact O-N 2.93Å
458	P	43	Very low	59.4	Low	75 Å²	75	95.8 Å²	95.8	49%	0.487	48%	0.484	S	S	.	.			trans	-50.7	152.8	169.5	20	-30.1	0	0	0	108.6	V456 L460 S461	V456-P458 VanDerWaalsContact O-CD 3.27Å; V456-P458 WeakPolarHBondContact O-CD 3.42Å; V456-P458 VanDerWaalsContact O-N 3.13Å; P458-L460 CarbonylContact O-C 3.54Å; P458-L460 PolarHBondContact O-N 3.43Å; P458-S461 PolarHBondContact O-N 2.84Å
459	R	44.1	Very low	60.2	Low	259 Å²	259	93.6 Å²	93.6	98%	0.977	47%	0.47	S	S	*	.	S	Bend	trans	-48.6	-13.6	-176.9	-74	178.9	174	163.9	-1.3	114.3	S461	R459-S461 VanDerWaalsContact C-N 3.35Å; R459-S461 PolarHBondContact O-N 3.33Å
460	L	45.6	Very low	60.9	Low	47 Å²	47	93.1 Å²	93.1	25%	0.246	47%	0.468	C	S	.	.			trans	-80.6	61.3	167	-60.6	171.2	0	0	0	113.3	P458 K462 E799	P458-L460 CarbonylContact O-C 3.54Å; P458-L460 PolarHBondContact O-N 3.43Å; L460-K462 PolarHBondContact O-N 3.44Å; L460-E799 VanDerWaalsContact CD2-CD 3.46Å; L460-E799 HydrophobicContact CD2-CG 3.98Å
461	S	40.4	Very low	61.4	Low	88 Å²	88	93.2 Å²	93.2	62%	0.615	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	10.5	179.3	58.9	0	0	0	0	115.8	P458 R459	P458-S461 PolarHBondContact O-N 2.84Å; R459-S461 VanDerWaalsContact C-N 3.35Å; R459-S461 PolarHBondContact O-N 3.33Å
462	K	46.1	Very low	62.3	Low	148 Å²	148	92.3 Å²	92.3	64%	0.643	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-11	-176.6	-72	-175.5	178.7	177.8	0	115.4	L460 R464	L460-K462 PolarHBondContact O-N 3.44Å; K462-R464 PolarHBondContact O-N 2.78Å; K462-R464 VanDerWaalsContact O-N 3.07Å
463	R	59.9	Low	63.5	Low	42 Å²	42	93.9 Å²	93.9	16%	0.158	47%	0.474	C	S	.	.			trans	-86.5	77.4	-175.7	-72.9	176.9	177.2	-173.1	-4.1	112.4	L465 N778 S780 G798 E799	R463-L465 PolarHBondContact O-N 3.38Å; R463-N778 PolarHBondContact NH1-O 3.4Å; R463-N778 PolarHBondContact NH2-O 2.65Å; R463-N778 VanDerWaalsContact NH2-O 3.17Å; R463-S780 PolarHBondContact NH1-OG 3.47Å; R463-G798 PolarHBondContact NH2-O 3.39Å; R463-E799 WeakPolarHBondContact CD-O 3.47Å; R463-E799 WeakPolarHBondContact CG-O 3.4Å; R463-E799 PolarHBondContact NE-O 3.48Å
464	R	57.4	Low	64.8	Low	201 Å²	201	94.7 Å²	94.7	76%	0.758	48%	0.478	S	S	*	.			trans	-78.5	102.1	166.1	-69.5	-170.3	-174.5	-166.1	2.5	109.3	K462 P466	K462-R464 PolarHBondContact O-N 2.78Å; K462-R464 VanDerWaalsContact O-N 3.07Å; R464-P466 WeakPolarHBondContact O-CD 3.4Å
465	L	66.3	Low	66.6	Low	58 Å²	58	94 Å²	94	30%	0.304	47%	0.473	S	S	.	.			trans	-92.2	105.5	170.1	-66	-176.4	0	0	0	108.5	R463 I801 N822 I823	R463-L465 PolarHBondContact O-N 3.38Å; L465-I801 HydrophobicContact CD2-CG1 4.13Å; L465-N822 HydrophobicContact CB-CB 4Å; L465-N822 HydrophobicContact CD1-CB 4.08Å; L465-N822 HydrophobicContact CD2-CB 3.94Å; L465-N822 HydrophobicContact CG-CB 4.22Å; L465-I823 HydrophobicContact CD2-CG2 3.71Å
466	P	59.1	Low	68.6	Low	75 Å²	75	93.7 Å²	93.7	49%	0.487	47%	0.472	S	S	.	.			trans	-72.2	-31.2	-171.8	27.2	-34.6	0	0	0	113.9	R464 N822	R464-P466 WeakPolarHBondContact O-CD 3.4Å; P466-N822 WeakPolarHBondContact CD-O 3.16Å; P466-N822 WeakPolarHBondContact CG-O 3.38Å
467	N	73.8	Confident	70.8	Confident	83 Å²	83	92.6 Å²	92.6	44%	0.444	47%	0.471	S	S	.	.	S	Bend	trans	-103.3	135.3	-177.6	-58.1	-29	0	0	0	110.9	N822	N467-N822 VanDerWaalsContact CB-O 3.32Å; N467-N822 WeakPolarHBondContact CB-O 3.35Å; N467-N822 PolarHBondContact N-O 3.27Å; N467-N822 PolarHBondContact O-ND2 3.38Å
468	F	79.1	Confident	73.1	Confident	191 Å²	191	86.3 Å²	86.3	84%	0.838	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-86.1	143.5	174.3	-63.4	-80.9	0	0	0	110.7
469	L	84.3	Confident	75.6	Confident	21 Å²	21	85.5 Å²	85.5	11%	0.11	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-63.8	146.3	169.6	-71.5	166.3	0	0	0	109.9	L612 R615 R616 N619	L469-L612 HydrophobicContact CD1-CD1 3.6Å; L469-R615 PolarHBondContact O-NH2 2.87Å; L469-R616 HydrophobicContact CD1-CG 3.75Å; L469-R616 HydrophobicContact CD2-CG 4.33Å; L469-N619 HydrophobicContact CD2-CB 4.35Å
470	P	87.1	Confident	78	Confident	53 Å²	53	76.6 Å²	76.6	34%	0.344	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-60.1	158.5	168.9	-18.3	29.6	0	0	0	112	F472 R615 N619	P470-F472 HydrophobicContact CB-CD2 4.11Å; P470-F472 HydrophobicContact CB-CE1 4.17Å; P470-F472 HydrophobicContact CB-CE2 3.57Å; P470-F472 HydrophobicContact CB-CZ 3.6Å; P470-F472 HydrophobicContact CG-CE2 3.85Å; P470-F472 HydrophobicContact CG-CZ 3.74Å; P470-F472 WeakPolarHBondContact O-CD2 3.38Å; P470-R615 VanDerWaalsContact O-CZ 3.25Å; P470-R615 PolarHBondContact O-NE 3.13Å; P470-R615 PolarHBondContact O-NH2 2.99Å; P470-N619 WeakPolarHBondContact CD-OD1 3.17Å
471	S	86.3	Confident	80.3	Confident	74 Å²	74	74.6 Å²	74.6	52%	0.517	39%	0.388	S	S	.	.			trans	-80.1	-29.1	-169.6	54.8	0	0	0	0	114.6	R611	S471-R611 PolarHBondContact O-NH1 2.87Å
472	F	93.6	Very high	82.7	Confident	20 Å²	20	72.3 Å²	72.3	9%	0.088	37%	0.37	C	S	.	.			trans	40.3	60.6	-178.2	-56.9	-68.6	0	0	0	113.4	P470 W513 R611 R615 H618 N619 E622	P470-F472 HydrophobicContact CB-CD2 4.11Å; P470-F472 HydrophobicContact CB-CE1 4.17Å; P470-F472 HydrophobicContact CB-CE2 3.57Å; P470-F472 HydrophobicContact CB-CZ 3.6Å; P470-F472 HydrophobicContact CG-CE2 3.85Å; P470-F472 HydrophobicContact CG-CZ 3.74Å; P470-F472 WeakPolarHBondContact O-CD2 3.38Å; F472-W513 PolarHBondContact O-NE1 3.43Å; F472-R611 PolarHBondContact O-NH2 3.42Å; F472-R615 HydrophobicContact CD2-CB 4.23Å; F472-R615 HydrophobicContact CD2-CG 4.33Å; F472-R615 WeakPolarHBondContact CE2-O 3.37Å; F472-H618 HydrophobicContact CB-CB 4.07Å; F472-H618 HydrophobicContact CD1-CB 3.62Å; F472-H618 HydrophobicContact CD2-CB 3.52Å; F472-H618 HydrophobicContact CE1-CB 3.84Å; F472-H618 HydrophobicContact CE2-CB 3.73Å; F472-H618 HydrophobicContact CG-CB 3.45Å; F472-H618 VanDerWaalsContact CG-CB 3.45Å; F472-H618 AromaticContact CG-CG 3.89Å; F472-H618 HydrophobicContact CZ-CB 3.9Å; F472-N619 HydrophobicContact CE2-CB 3.91Å; F472-N619 HydrophobicContact CZ-CB 4.07Å; F472-E622 VanDerWaalsContact CE1-CD 3.5Å; F472-E622 HydrophobicContact CE1-CG 4.2Å
473	P	94.7	Very high	84.9	Confident	87 Å²	87	70.1 Å²	70.1	57%	0.565	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-66.5	144.4	-177.6	30.1	-34.6	0	0	0	110.8	P475	P473-P475 WeakPolarHBondContact O-CD 3.49Å
474	V	94.6	Very high	86.4	Confident	19 Å²	19	71.5 Å²	71.5	12%	0.115	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-60	127.3	172.2	-179.9	0	0	0	0	109.2	K476 R479 W513 E516 L517	V474-K476 PolarHBondContact O-N 3.31Å; V474-R479 HydrophobicContact CG1-CB 4.23Å; V474-W513 HydrophobicContact CG1-CB 4.25Å; V474-W513 HydrophobicContact CG1-CG 4.45Å; V474-W513 HydrophobicContact CG2-CB 4.31Å; V474-W513 HydrophobicContact CG2-CG 4.23Å; V474-E516 HydrophobicContact CG2-CG 4.41Å; V474-E516 WeakPolarHBondContact CG2-OE1 3.47Å; V474-L517 HydrophobicContact CG1-CD1 3.98Å; V474-L517 HydrophobicContact CG1-CD2 4.1Å; V474-L517 HydrophobicContact CG1-CG 4.09Å
475	P	96.1	Very high	87.9	Confident	50 Å²	50	69.6 Å²	69.6	33%	0.325	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-57.8	131.2	175.9	-25.7	34	0	0	0	111.6	P473 A477 L478 R479 W513	P473-P475 WeakPolarHBondContact O-CD 3.49Å; P475-A477 VanDerWaalsContact C-N 3.31Å; P475-A477 PolarHBondContact O-N 3.4Å; P475-L478 HydrophobicContact CB-CB 4.22Å; P475-L478 WeakPolarHBondContact O-CB 3.01Å; P475-L478 PolarHBondContact O-N 3.27Å; P475-R479 PolarHBondContact O-N 3.24Å; P475-R479 VanDerWaalsContact O-N 3.07Å; P475-W513 HydrophobicContact CG-CD2 4.09Å; P475-W513 HydrophobicContact CG-CE3 3.57Å; P475-W513 HydrophobicContact CG-CH2 3.73Å; P475-W513 HydrophobicContact CG-CZ2 4.18Å; P475-W513 HydrophobicContact CG-CZ3 3.4Å
476	K	94.6	Very high	89.1	Confident	161 Å²	161	73.6 Å²	73.6	70%	0.7	39%	0.393	S	S	*	.	H	α-helix	trans	-56	-44.2	-176.8	-171.9	179.5	177	-177.6	0	112.5	V474 L478 R479 D480	V474-K476 PolarHBondContact O-N 3.31Å; K476-L478 VanDerWaalsContact C-N 3.26Å; K476-L478 PolarHBondContact O-N 3.24Å; K476-R479 PolarHBondContact O-N 3.01Å; K476-D480 WeakPolarHBondContact O-CB 3.4Å; K476-D480 PolarHBondContact O-N 2.71Å
477	A	94.4	Very high	90.6	Very high	57 Å²	57	74.9 Å²	74.9	47%	0.471	40%	0.395	S	S	.	.	H	α-helix	trans	-59.1	-36.3	177.8	0	0	0	0	0	113.1	P475 C481 V491	P475-A477 VanDerWaalsContact C-N 3.31Å; P475-A477 PolarHBondContact O-N 3.4Å; A477-C481 WeakPolarHBondContact O-CB 3.47Å; A477-C481 PolarHBondContact O-N 2.83Å; A477-C481 VanDerWaalsContact O-N 3.11Å; A477-V491 HydrophobicContact CB-CG1 3.77Å
478	L	95.6	Very high	91.6	Very high	4 Å²	4	71 Å²	71	2%	0.021	38%	0.375	C	S	.	.	H	α-helix	trans	-71.4	-43.6	177.5	-176.3	66.4	0	0	0	111	P475 K476 C481 V482 V488 T510 W513 L514 L517	P475-L478 HydrophobicContact CB-CB 4.22Å; P475-L478 WeakPolarHBondContact O-CB 3.01Å; P475-L478 PolarHBondContact O-N 3.27Å; K476-L478 VanDerWaalsContact C-N 3.26Å; K476-L478 PolarHBondContact O-N 3.24Å; L478-C481 WeakPolarHBondContact O-CB 3.04Å; L478-C481 PolarHBondContact O-N 3.08Å; L478-V482 WeakPolarHBondContact O-CG2 3.24Å; L478-V482 PolarHBondContact O-N 3.2Å; L478-V488 HydrophobicContact CD1-CG1 3.7Å; L478-T510 HydrophobicContact CD1-CG2 4.18Å; L478-T510 HydrophobicContact CD2-CG2 3.98Å; L478-W513 HydrophobicContact CD2-CB 3.71Å; L478-W513 HydrophobicContact CD2-CE3 4.05Å; L478-W513 HydrophobicContact CD2-CG 4.48Å; L478-L514 HydrophobicContact CD1-CD2 4.07Å; L478-L514 HydrophobicContact CG-CD2 4.46Å; L478-L517 HydrophobicContact CG-CD1 4.42Å
479	R	95	Very high	92.3	Very high	57 Å²	57	64.8 Å²	64.8	22%	0.215	35%	0.35	C	S	.	.	H	α-helix	trans	-59.5	-52.1	175.3	178.9	176.4	-68.4	-84.5	2	111.2	V474 P475 K476 C481 V482 E483 L517 E520	V474-R479 HydrophobicContact CG1-CB 4.23Å; P475-R479 PolarHBondContact O-N 3.24Å; P475-R479 VanDerWaalsContact O-N 3.07Å; K476-R479 PolarHBondContact O-N 3.01Å; R479-C481 PolarHBondContact O-N 2.79Å; R479-V482 PolarHBondContact O-N 2.98Å; R479-E483 VanDerWaalsContact CG-CD 3.48Å; R479-E483 HydrophobicContact CG-CG 4.17Å; R479-E483 VanDerWaalsContact CG-OE1 3.27Å; R479-E483 WeakPolarHBondContact CG-OE1 3.21Å; R479-E483 IonicContact NH1-OE1 3.19Å; R479-E483 PolarHBondContact NH1-OE1 3.37Å; R479-E483 WeakPolarHBondContact O-CB 3.35Å; R479-E483 WeakPolarHBondContact O-CG 3.23Å; R479-E483 PolarHBondContact O-N 2.87Å; R479-L517 HydrophobicContact CB-CD2 4.33Å; R479-L517 HydrophobicContact CG-CD2 4.12Å; R479-L517 VanDerWaalsContact CZ-CD2 3.44Å; R479-E520 IonicContact CZ-OE2 3.28Å; R479-E520 IonicContact NH1-OE2 3.02Å; R479-E520 PolarHBondContact NH1-OE2 2.86Å; R479-E520 IonicContact NH2-OE1 3.45Å; R479-E520 PolarHBondContact NH2-OE1 3.37Å; R479-E520 VanDerWaalsContact NH2-OE1 3.09Å; R479-E520 IonicContact NH2-OE2 3.93Å; R479-E520 PolarHBondContact NH2-OE2 3.08Å
480	D	93.7	Very high	92.6	Very high	72 Å²	72	67.9 Å²	67.9	39%	0.385	38%	0.378	S	S	.	.	H	α-helix	trans	-58.5	-37	-179.9	-64.5	-12.3	0	0	0	111.2	K476 S484	K476-D480 WeakPolarHBondContact O-CB 3.4Å; K476-D480 PolarHBondContact O-N 2.71Å; D480-S484 WeakPolarHBondContact O-CB 3.36Å; D480-S484 PolarHBondContact O-N 2.71Å; D480-S484 VanDerWaalsContact O-N 3.1Å; D480-S484 PolarHBondContact O-OG 2.9Å
481	C	93.4	Very high	92.9	Very high	6 Å²	6	68.2 Å²	68.2	4%	0.041	38%	0.379	C	S	.	.	H	α-helix	trans	-65.7	-50.1	176.3	173.6	0	0	0	0	112.7	A477 L478 R479 S484 E485 K486 D487 V491	A477-C481 WeakPolarHBondContact O-CB 3.47Å; A477-C481 PolarHBondContact O-N 2.83Å; A477-C481 VanDerWaalsContact O-N 3.11Å; L478-C481 WeakPolarHBondContact O-CB 3.04Å; L478-C481 PolarHBondContact O-N 3.08Å; R479-C481 PolarHBondContact O-N 2.79Å; C481-S484 CarbonylContact O-C 3.57Å; C481-S484 PolarHBondContact O-N 2.79Å; C481-E485 PolarHBondContact O-N 3.29Å; C481-K486 PolarHBondContact O-N 3.43Å; C481-D487 PolarHBondContact SG-O 3.48Å; C481-V491 HydrophobicContact CB-CG2 3.76Å
482	V	92.4	Very high	93.3	Very high	39 Å²	39	66.9 Å²	66.9	24%	0.236	37%	0.365	C	S	.	.	H	α-helix	trans	-67.5	-42.5	-179.9	173.2	0	0	0	0	111.6	L478 R479 S484 E485 V488 L514 L517	L478-V482 WeakPolarHBondContact O-CG2 3.24Å; L478-V482 PolarHBondContact O-N 3.2Å; R479-V482 PolarHBondContact O-N 2.98Å; V482-S484 VanDerWaalsContact C-N 3.26Å; V482-S484 PolarHBondContact O-N 2.74Å; V482-E485 PolarHBondContact O-N 2.84Å; V482-E485 VanDerWaalsContact O-N 3.11Å; V482-V488 HydrophobicContact CG2-CG2 4.34Å; V482-L514 HydrophobicContact CG2-CD2 3.64Å; V482-L517 HydrophobicContact CB-CD1 4.05Å; V482-L517 HydrophobicContact CG1-CD1 4.32Å; V482-L517 HydrophobicContact CG2-CD1 3.91Å
483	E	90.8	Very high	93.3	Very high	103 Å²	103	69.6 Å²	69.6	48%	0.481	39%	0.385	S	S	.	.	H	α-helix	trans	-67.3	-27.6	178.5	-70.8	178.5	176.5	0	0	112.4	R479 E485	R479-E483 VanDerWaalsContact CG-CD 3.48Å; R479-E483 HydrophobicContact CG-CG 4.17Å; R479-E483 VanDerWaalsContact CG-OE1 3.27Å; R479-E483 WeakPolarHBondContact CG-OE1 3.21Å; R479-E483 IonicContact NH1-OE1 3.19Å; R479-E483 PolarHBondContact NH1-OE1 3.37Å; R479-E483 WeakPolarHBondContact O-CB 3.35Å; R479-E483 WeakPolarHBondContact O-CG 3.23Å; R479-E483 PolarHBondContact O-N 2.87Å; E483-E485 VanDerWaalsContact C-N 3.34Å
484	S	91.4	Very high	93.2	Very high	70 Å²	70	65.9 Å²	65.9	49%	0.49	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	6.2	173.5	-54	0	0	0	0	113.8	D480 C481 V482 K486	D480-S484 WeakPolarHBondContact O-CB 3.36Å; D480-S484 PolarHBondContact O-N 2.71Å; D480-S484 VanDerWaalsContact O-N 3.1Å; D480-S484 PolarHBondContact O-OG 2.9Å; C481-S484 CarbonylContact O-C 3.57Å; C481-S484 PolarHBondContact O-N 2.79Å; V482-S484 VanDerWaalsContact C-N 3.26Å; V482-S484 PolarHBondContact O-N 2.74Å; S484-K486 PolarHBondContact O-N 2.92Å; S484-K486 VanDerWaalsContact O-N 3.17Å
485	E	90.1	Very high	93.2	Very high	161 Å²	161	65 Å²	65	75%	0.752	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	36.2	-176.7	-57.7	-173.5	169.4	0	0	113.9	C481 V482 E483	C481-E485 PolarHBondContact O-N 3.29Å; V482-E485 PolarHBondContact O-N 2.84Å; V482-E485 VanDerWaalsContact O-N 3.11Å; E483-E485 VanDerWaalsContact C-N 3.34Å
486	K	90.9	Very high	93	Very high	143 Å²	143	65.5 Å²	65.5	62%	0.622	37%	0.369	S	S	*	.			trans	-86.8	162.4	176.6	-68.7	178.2	-178.4	174.5	0	111.3	C481 S484 V488	C481-K486 PolarHBondContact O-N 3.43Å; S484-K486 PolarHBondContact O-N 2.92Å; S484-K486 VanDerWaalsContact O-N 3.17Å; K486-V488 PolarHBondContact O-N 2.98Å
487	D	91.4	Very high	93	Very high	102 Å²	102	62.6 Å²	62.6	55%	0.545	36%	0.358	S	S	.	.			trans	-62.9	120.8	173.6	-176.4	2.8	0	0	0	111.3	C481 L489 A490	C481-D487 PolarHBondContact SG-O 3.48Å; D487-L489 VanDerWaalsContact C-N 3.25Å; D487-L489 PolarHBondContact O-N 2.99Å; D487-L489 WeakPolarHBondContact OD1-CB 3.45Å; D487-L489 PolarHBondContact OD1-N 3.09Å; D487-A490 WeakPolarHBondContact O-CB 3.44Å; D487-A490 PolarHBondContact O-N 3.34Å
488	V	93.3	Very high	92.9	Very high	2 Å²	2	64 Å²	64	1%	0.012	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-66.9	-27.5	-178.7	-174.7	0	0	0	0	111.8	L478 V482 K486 A490 V491 Q492 L495 L514 L877	L478-V488 HydrophobicContact CD1-CG1 3.7Å; V482-V488 HydrophobicContact CG2-CG2 4.34Å; K486-V488 PolarHBondContact O-N 2.98Å; V488-A490 PolarHBondContact O-N 3.27Å; V488-V491 PolarHBondContact O-N 2.92Å; V488-V491 VanDerWaalsContact O-N 3.09Å; V488-Q492 PolarHBondContact O-N 3.34Å; V488-L495 HydrophobicContact CG1-CD1 3.67Å; V488-L514 HydrophobicContact CG1-CD1 4.31Å; V488-L514 HydrophobicContact CG1-CD2 4.22Å; V488-L514 HydrophobicContact CG2-CD2 4.36Å; V488-L877 HydrophobicContact CG2-CD1 3.88Å; V488-L877 HydrophobicContact CG2-CD2 4.2Å
489	L	94.1	Very high	92.9	Very high	59 Å²	59	66.2 Å²	66.2	31%	0.309	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-64.5	-24.3	178.5	-64.5	-178.4	0	0	0	112.7	D487 V491 Q492 L495 F881	D487-L489 VanDerWaalsContact C-N 3.25Å; D487-L489 PolarHBondContact O-N 2.99Å; D487-L489 WeakPolarHBondContact OD1-CB 3.45Å; D487-L489 PolarHBondContact OD1-N 3.09Å; L489-V491 VanDerWaalsContact C-N 3.28Å; L489-V491 PolarHBondContact O-N 3.3Å; L489-Q492 CarbonylContact O-C 3.57Å; L489-L495 HydrophobicContact CD2-CB 3.75Å; L489-F881 HydrophobicContact CD1-CE1 4.46Å; L489-F881 HydrophobicContact CD1-CZ 4.37Å; L489-F881 HydrophobicContact CD2-CE1 3.69Å; L489-F881 HydrophobicContact CD2-CZ 3.68Å; L489-F881 HydrophobicContact CG-CE1 4.3Å; L489-F881 HydrophobicContact CG-CZ 3.95Å
490	A	91.7	Very high	92.8	Very high	86 Å²	86	65.1 Å²	65.1	71%	0.711	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-67.2	-29.7	175.5	0	0	0	0	0	112.7	D487 V488	D487-A490 WeakPolarHBondContact O-CB 3.44Å; D487-A490 PolarHBondContact O-N 3.34Å; V488-A490 PolarHBondContact O-N 3.27Å
491	V	93.3	Very high	92.7	Very high	60 Å²	60	65.4 Å²	65.4	36%	0.364	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-36	179.4	179.6	0	0	0	0	111.7	A477 C481 V488 L489	A477-V491 HydrophobicContact CB-CG1 3.77Å; C481-V491 HydrophobicContact CB-CG2 3.76Å; V488-V491 PolarHBondContact O-N 2.92Å; V488-V491 VanDerWaalsContact O-N 3.09Å; L489-V491 VanDerWaalsContact C-N 3.28Å; L489-V491 PolarHBondContact O-N 3.3Å
492	Q	94.8	Very high	92.7	Very high	46 Å²	46	70.4 Å²	70.4	22%	0.215	42%	0.423	C	S	.	.			trans	-128	86.6	176.8	-171.6	70.4	-62.6	0	0	112.2	V488 L489 C494 L495 T510	V488-Q492 PolarHBondContact O-N 3.34Å; L489-Q492 CarbonylContact O-C 3.57Å; Q492-C494 VanDerWaalsContact C-N 3.25Å; Q492-C494 WeakPolarHBondContact CG-SG 3.38Å; Q492-C494 PolarHBondContact O-N 2.85Å; Q492-L495 HydrophobicContact CB-CD1 4.28Å; Q492-L495 HydrophobicContact CB-CG 4.31Å; Q492-L495 HydrophobicContact CG-CD1 4.39Å; Q492-L495 HydrophobicContact CG-CG 3.93Å; Q492-L495 PolarHBondContact O-N 2.96Å; Q492-T510 HydrophobicContact CB-CG2 4.08Å; Q492-T510 HydrophobicContact CG-CG2 3.9Å; Q492-T510 WeakPolarHBondContact CG-OG1 3.22Å; Q492-T510 PolarHBondContact NE2-OG1 3.08Å
493	P	93.2	Very high	92.8	Very high	77 Å²	77	68.9 Å²	68.9	50%	0.5	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-62.1	-28.2	178.7	-24.4	34.5	0	0	0	114.1	L495 G496	P493-L495 PolarHBondContact O-N 3.28Å; P493-G496 PolarHBondContact O-N 3.06Å
494	C	92.4	Very high	92.9	Very high	9 Å²	9	64.6 Å²	64.6	6%	0.061	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-65.1	-13.1	-176.5	76.4	0	0	0	0	114.3	Q492 G496 N503 S506 R507	Q492-C494 VanDerWaalsContact C-N 3.25Å; Q492-C494 WeakPolarHBondContact CG-SG 3.38Å; Q492-C494 PolarHBondContact O-N 2.85Å; C494-G496 VanDerWaalsContact C-N 3.3Å; C494-N503 HydrophobicContact CB-CB 4.43Å; C494-S506 PolarHBondContact SG-OG 3.48Å; C494-R507 PolarHBondContact O-NH1 2.8Å
495	L	94.3	Very high	93	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.01	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-69.5	-27.2	170.5	-66.4	179.2	0	0	0	112.5	V488 L489 Q492 P493 R507 T510 L511 L514 F881	V488-L495 HydrophobicContact CG1-CD1 3.67Å; L489-L495 HydrophobicContact CD2-CB 3.75Å; Q492-L495 HydrophobicContact CB-CD1 4.28Å; Q492-L495 HydrophobicContact CB-CG 4.31Å; Q492-L495 HydrophobicContact CG-CD1 4.39Å; Q492-L495 HydrophobicContact CG-CG 3.93Å; Q492-L495 PolarHBondContact O-N 2.96Å; P493-L495 PolarHBondContact O-N 3.28Å; L495-R507 VanDerWaalsContact C-NH1 3.31Å; L495-R507 HydrophobicContact CD2-CG 3.94Å; L495-R507 PolarHBondContact O-NH1 2.78Å; L495-R507 PolarHBondContact O-NH2 2.81Å; L495-T510 HydrophobicContact CD1-CG2 3.8Å; L495-T510 HydrophobicContact CD2-CG2 4.06Å; L495-T510 HydrophobicContact CG-CG2 4.15Å; L495-L511 HydrophobicContact CD2-CD2 3.69Å; L495-L511 HydrophobicContact CD2-CG 4.05Å; L495-L514 HydrophobicContact CD1-CD1 4.14Å; L495-F881 HydrophobicContact CB-CD1 3.87Å; L495-F881 HydrophobicContact CB-CD2 4.36Å; L495-F881 HydrophobicContact CB-CE1 4.12Å; L495-F881 HydrophobicContact CB-CG 4.01Å; L495-F881 HydrophobicContact CB-CZ 4.47Å; L495-F881 HydrophobicContact CD1-CD2 3.94Å; L495-F881 HydrophobicContact CD1-CE2 4.12Å; L495-F881 HydrophobicContact CD1-CG 4.34Å; L495-F881 HydrophobicContact CD2-CB 4.29Å; L495-F881 HydrophobicContact CD2-CG 4.49Å; L495-F881 WeakPolarHBondContact O-CD1 3.39Å
496	G	92.8	Very high	93.2	Very high	59 Å²	59	58.5 Å²	58.5	61%	0.608	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-15.4	176.4	0	0	0	0	0	114.1	P493 C494	P493-G496 PolarHBondContact O-N 3.06Å; C494-G496 VanDerWaalsContact C-N 3.3Å
497	E	94.1	Very high	93.5	Very high	100 Å²	100	53.1 Å²	53.1	47%	0.467	34%	0.337	S	S	.	.	S	Bend	trans	-77.4	158.3	178.6	-64.9	172.3	-168.6	0	0	112	N503 R507	E497-N503 PolarHBondContact OE2-ND2 3.31Å; E497-N503 VanDerWaalsContact OE2-ND2 3.09Å; E497-R507 PolarHBondContact O-NH1 3.39Å
498	A	93.3	Very high	93.8	Very high	88 Å²	88	48.5 Å²	48.5	73%	0.727	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-65.1	138.3	168.8	0	0	0	0	0	110.4	S500 N503	A498-S500 PolarHBondContact O-N 2.89Å; A498-N503 PolarHBondContact O-ND2 2.99Å
499	L	94.4	Very high	94	Very high	50 Å²	50	48.5 Å²	48.5	26%	0.262	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-64.8	128	179.1	178.4	63.4	0	0	0	110.5	M504 F508 F632	L499-M504 HydrophobicContact CD1-CB 3.96Å; L499-M504 HydrophobicContact CD1-CG 4.18Å; L499-F508 HydrophobicContact CD1-CD2 4.46Å; L499-F508 HydrophobicContact CD1-CE2 3.98Å; L499-F508 HydrophobicContact CD2-CE2 3.89Å; L499-F508 HydrophobicContact CD2-CZ 4.13Å; L499-F632 HydrophobicContact CD1-CZ 4.19Å; L499-F632 HydrophobicContact CD2-CE1 4.37Å; L499-F632 HydrophobicContact CD2-CZ 4.31Å; L499-F632 HydrophobicContact CG-CE1 3.9Å; L499-F632 HydrophobicContact CG-CZ 3.84Å
500	S	93.3	Very high	94.1	Very high	33 Å²	33	45.9 Å²	45.9	23%	0.231	30%	0.298	C	S	.	.			trans	-144.3	164.6	-177.8	65	0	0	0	0	110.6	A498 S502 N503 M504 F632	A498-S500 PolarHBondContact O-N 2.89Å; S500-S502 PolarHBondContact O-N 3.29Å; S500-S502 VanDerWaalsContact O-N 3.16Å; S500-S502 PolarHBondContact OG-OG 3.38Å; S500-S502 VanDerWaalsContact OG-OG 3.1Å; S500-N503 PolarHBondContact N-OD1 3.03Å; S500-N503 PolarHBondContact O-N 2.95Å; S500-N503 PolarHBondContact O-OD1 3.4Å; S500-N503 VanDerWaalsContact O-OD1 3.09Å; S500-N503 VanDerWaalsContact OG-CG 3.27Å; S500-N503 PolarHBondContact OG-OD1 3.04Å; S500-N503 VanDerWaalsContact OG-OD1 3.13Å; S500-M504 WeakPolarHBondContact O-CB 3.44Å; S500-M504 PolarHBondContact O-N 3.3Å; S500-F632 VanDerWaalsContact C-CZ 3.5Å
501	P	92.4	Very high	94.4	Very high	78 Å²	78	41.8 Å²	41.8	51%	0.506	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-34.3	176.9	-25.7	32.2	0	0	0	113.9	F632	P501-F632 HydrophobicContact CB-CD2 4.14Å; P501-F632 HydrophobicContact CB-CE2 4.35Å; P501-F632 HydrophobicContact CG-CB 3.98Å; P501-F632 HydrophobicContact CG-CD1 4.36Å; P501-F632 HydrophobicContact CG-CD2 3.59Å; P501-F632 HydrophobicContact CG-CE2 4.13Å; P501-F632 HydrophobicContact CG-CG 3.72Å
502	S	92.3	Very high	94.6	Very high	111 Å²	111	39.3 Å²	39.3	78%	0.776	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-30.3	-176.4	54.2	0	0	0	0	113.8	S500	S500-S502 PolarHBondContact O-N 3.29Å; S500-S502 VanDerWaalsContact O-N 3.16Å; S500-S502 PolarHBondContact OG-OG 3.38Å; S500-S502 VanDerWaalsContact OG-OG 3.1Å
503	N	93.9	Very high	94.8	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.043	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-6.7	-179.2	71.6	10.6	0	0	0	114.2	C494 E497 A498 S500 F505 S506 R507	C494-N503 HydrophobicContact CB-CB 4.43Å; E497-N503 PolarHBondContact OE2-ND2 3.31Å; E497-N503 VanDerWaalsContact OE2-ND2 3.09Å; A498-N503 PolarHBondContact O-ND2 2.99Å; S500-N503 PolarHBondContact N-OD1 3.03Å; S500-N503 PolarHBondContact O-N 2.95Å; S500-N503 PolarHBondContact O-OD1 3.4Å; S500-N503 VanDerWaalsContact O-OD1 3.09Å; S500-N503 VanDerWaalsContact OG-CG 3.27Å; S500-N503 PolarHBondContact OG-OD1 3.04Å; S500-N503 VanDerWaalsContact OG-OD1 3.13Å; N503-F505 VanDerWaalsContact C-N 3.33Å; N503-F505 PolarHBondContact O-N 3.45Å; N503-S506 PolarHBondContact O-N 3.06Å; N503-S506 PolarHBondContact O-OG 2.83Å; N503-R507 WeakPolarHBondContact O-CB 3.44Å; N503-R507 PolarHBondContact O-N 2.84Å
504	M	93.9	Very high	95	Very high	13 Å²	13	35.3 Å²	35.3	6%	0.064	22%	0.223	C	C	.	.	H	α-helix	trans	-51.9	-49.3	-179.6	-178.9	-176.2	-179.1	0	0	112.7	L499 S500 F508 L621 L631 F632 E843 L847	L499-M504 HydrophobicContact CD1-CB 3.96Å; L499-M504 HydrophobicContact CD1-CG 4.18Å; S500-M504 WeakPolarHBondContact O-CB 3.44Å; S500-M504 PolarHBondContact O-N 3.3Å; M504-F508 HydrophobicContact CE-CD2 4Å; M504-F508 HydrophobicContact CE-CE2 3.96Å; M504-F508 HydrophobicContact CG-CD2 3.62Å; M504-F508 HydrophobicContact CG-CE2 3.9Å; M504-F508 WeakPolarHBondContact O-CB 3.36Å; M504-F508 WeakPolarHBondContact O-CD2 3.48Å; M504-F508 PolarHBondContact O-N 3.48Å; M504-L621 HydrophobicContact CE-CD2 4.32Å; M504-L631 HydrophobicContact CE-CD1 3.86Å; M504-L631 HydrophobicContact SD-CB 4.49Å; M504-L631 HydrophobicContact SD-CD1 3.74Å; M504-F632 HydrophobicContact CB-CE2 4.22Å; M504-F632 HydrophobicContact CB-CZ 4.17Å; M504-F632 HydrophobicContact CG-CE2 4.37Å; M504-F632 HydrophobicContact CG-CZ 4.38Å; M504-F632 HydrophobicContact SD-CE2 3.65Å; M504-F632 HydrophobicContact SD-CZ 4.13Å; M504-E843 HydrophobicContact CE-CG 4.16Å; M504-E843 WeakPolarHBondContact CE-OE1 3.46Å; M504-L847 HydrophobicContact CE-CD1 3.69Å
505	F	93.8	Very high	95.1	Very high	63 Å²	63	36 Å²	36	28%	0.276	23%	0.225	S	C	.	.	H	α-helix	trans	-61.6	-49.9	-176.9	176.1	-98.2	0	0	0	112.4	N503 S509 L621 E622 K625	N503-F505 VanDerWaalsContact C-N 3.33Å; N503-F505 PolarHBondContact O-N 3.45Å; F505-S509 WeakPolarHBondContact O-CB 3.47Å; F505-S509 PolarHBondContact O-N 3.16Å; F505-S509 PolarHBondContact O-OG 2.92Å; F505-L621 HydrophobicContact CD2-CB 3.85Å; F505-L621 HydrophobicContact CE2-CB 4.01Å; F505-E622 HydrophobicContact CE2-CB 4.31Å; F505-E622 HydrophobicContact CE2-CG 3.41Å; F505-E622 VanDerWaalsContact CE2-CG 3.41Å; F505-E622 HydrophobicContact CZ-CG 3.73Å; F505-K625 HydrophobicContact CD2-CD 4.42Å; F505-K625 HydrophobicContact CD2-CG 4.31Å; F505-K625 VanDerWaalsContact CE2-CE 3.45Å; F505-K625 VanDerWaalsContact CG-CE 3.44Å
506	S	94.5	Very high	95.1	Very high	39 Å²	39	36.1 Å²	36.1	27%	0.273	23%	0.225	S	C	.	.	H	α-helix	trans	-67.6	-42.9	-178.6	57.2	0	0	0	0	110.8	C494 N503 T510	C494-S506 PolarHBondContact SG-OG 3.48Å; N503-S506 PolarHBondContact O-N 3.06Å; N503-S506 PolarHBondContact O-OG 2.83Å; S506-T510 PolarHBondContact O-N 3.47Å; S506-T510 PolarHBondContact O-OG1 3.42Å; S506-T510 VanDerWaalsContact O-OG1 3.13Å
507	R	96.4	Very high	95.2	Very high	30 Å²	30	33.6 Å²	33.6	11%	0.113	20%	0.198	C	C	.	.	H	α-helix	trans	-59.8	-59.2	178.5	-168.3	-165.4	-176.2	89.8	-0.1	111.3	C494 L495 E497 N503 S509 T510 L511 F881	C494-R507 PolarHBondContact O-NH1 2.8Å; L495-R507 VanDerWaalsContact C-NH1 3.31Å; L495-R507 HydrophobicContact CD2-CG 3.94Å; L495-R507 PolarHBondContact O-NH1 2.78Å; L495-R507 PolarHBondContact O-NH2 2.81Å; E497-R507 PolarHBondContact O-NH1 3.39Å; N503-R507 WeakPolarHBondContact O-CB 3.44Å; N503-R507 PolarHBondContact O-N 2.84Å; R507-S509 VanDerWaalsContact C-N 3.32Å; R507-S509 PolarHBondContact O-N 3Å; R507-T510 WeakPolarHBondContact O-CB 3.41Å; R507-T510 PolarHBondContact O-N 3.24Å; R507-T510 VanDerWaalsContact O-N 3.11Å; R507-L511 HydrophobicContact CG-CD1 4.42Å; R507-L511 WeakPolarHBondContact O-CG 3.2Å; R507-L511 PolarHBondContact O-N 3.19Å; R507-F881 PolarHBondContact NE-O 2.82Å; R507-F881 PolarHBondContact NH2-O 3.23Å
508	F	97.4	Very high	95.1	Very high	6 Å²	6	31.1 Å²	31.1	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-67.2	-32.1	-177	-79.9	-68	0	0	0	113	L499 M504 T510 L511 L512 L621 E843 P844 L883	L499-F508 HydrophobicContact CD1-CD2 4.46Å; L499-F508 HydrophobicContact CD1-CE2 3.98Å; L499-F508 HydrophobicContact CD2-CE2 3.89Å; L499-F508 HydrophobicContact CD2-CZ 4.13Å; M504-F508 HydrophobicContact CE-CD2 4Å; M504-F508 HydrophobicContact CE-CE2 3.96Å; M504-F508 HydrophobicContact CG-CD2 3.62Å; M504-F508 HydrophobicContact CG-CE2 3.9Å; M504-F508 WeakPolarHBondContact O-CB 3.36Å; M504-F508 WeakPolarHBondContact O-CD2 3.48Å; M504-F508 PolarHBondContact O-N 3.48Å; F508-T510 VanDerWaalsContact C-N 3.33Å; F508-T510 PolarHBondContact O-N 2.98Å; F508-L511 HydrophobicContact CD1-CD1 3.81Å; F508-L511 HydrophobicContact CE1-CD1 4.11Å; F508-L511 PolarHBondContact O-N 2.88Å; F508-L512 VanDerWaalsContact O-CG 3.3Å; F508-L512 WeakPolarHBondContact O-CG 3.34Å; F508-L512 PolarHBondContact O-N 3.49Å; F508-L621 HydrophobicContact CB-CD1 3.74Å; F508-L621 HydrophobicContact CB-CD2 3.86Å; F508-L621 HydrophobicContact CB-CG 4.48Å; F508-L621 HydrophobicContact CG-CD2 4.46Å; F508-E843 HydrophobicContact CE1-CB 4.08Å; F508-E843 HydrophobicContact CE1-CG 4.49Å; F508-E843 HydrophobicContact CE2-CG 4.18Å; F508-E843 HydrophobicContact CZ-CB 3.93Å; F508-E843 HydrophobicContact CZ-CG 3.95Å; F508-E843 WeakPolarHBondContact CZ-OE2 3.43Å; F508-P844 HydrophobicContact CB-CG 3.93Å; F508-P844 HydrophobicContact CD1-CG 3.61Å; F508-P844 HydrophobicContact CE1-CG 4.35Å; F508-P844 HydrophobicContact CG-CG 3.92Å; F508-L883 HydrophobicContact CD1-CD1 4.19Å
509	S	96.9	Very high	94.9	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.014	16%	0.156	C	C	.	.	H	α-helix	trans	-62	-42.4	171.5	-66.4	0	0	0	0	111.5	F505 R507 L512 W513 H618	F505-S509 WeakPolarHBondContact O-CB 3.47Å; F505-S509 PolarHBondContact O-N 3.16Å; F505-S509 PolarHBondContact O-OG 2.92Å; R507-S509 VanDerWaalsContact C-N 3.32Å; R507-S509 PolarHBondContact O-N 3Å; S509-L512 PolarHBondContact O-N 3.03Å; S509-W513 VanDerWaalsContact O-CD2 3.24Å; S509-W513 PolarHBondContact O-N 2.87Å; S509-H618 PolarHBondContact O-CE1 2.91Å; S509-H618 VanDerWaalsContact O-CE1 3.3Å; S509-H618 PolarHBondContact OG-ND1 3.45Å
510	T	97.5	Very high	94.6	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.018	15%	0.152	C	C	.	.	H	α-helix	trans	-63	-43.2	174.1	-62.9	0	0	0	0	112.5	L478 Q492 L495 S506 R507 F508 L512 W513 L514	L478-T510 HydrophobicContact CD1-CG2 4.18Å; L478-T510 HydrophobicContact CD2-CG2 3.98Å; Q492-T510 HydrophobicContact CB-CG2 4.08Å; Q492-T510 HydrophobicContact CG-CG2 3.9Å; Q492-T510 WeakPolarHBondContact CG-OG1 3.22Å; Q492-T510 PolarHBondContact NE2-OG1 3.08Å; L495-T510 HydrophobicContact CD1-CG2 3.8Å; L495-T510 HydrophobicContact CD2-CG2 4.06Å; L495-T510 HydrophobicContact CG-CG2 4.15Å; S506-T510 PolarHBondContact O-N 3.47Å; S506-T510 PolarHBondContact O-OG1 3.42Å; S506-T510 VanDerWaalsContact O-OG1 3.13Å; R507-T510 WeakPolarHBondContact O-CB 3.41Å; R507-T510 PolarHBondContact O-N 3.24Å; R507-T510 VanDerWaalsContact O-N 3.11Å; F508-T510 VanDerWaalsContact C-N 3.33Å; F508-T510 PolarHBondContact O-N 2.98Å; T510-L512 VanDerWaalsContact C-N 3.32Å; T510-L512 PolarHBondContact O-N 2.94Å; T510-W513 PolarHBondContact O-N 2.96Å; T510-L514 HydrophobicContact CG2-CD1 4.18Å; T510-L514 HydrophobicContact CG2-CG 4.32Å; T510-L514 WeakPolarHBondContact O-CG 3.46Å; T510-L514 PolarHBondContact O-N 2.97Å
511	L	98	Very high	94.2	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-59.9	-42	176.8	-63.7	177	0	0	0	112.2	L495 R507 F508 L514 E515 A878 F881 L883	L495-L511 HydrophobicContact CD2-CD2 3.69Å; L495-L511 HydrophobicContact CD2-CG 4.05Å; R507-L511 HydrophobicContact CG-CD1 4.42Å; R507-L511 WeakPolarHBondContact O-CG 3.2Å; R507-L511 PolarHBondContact O-N 3.19Å; F508-L511 HydrophobicContact CD1-CD1 3.81Å; F508-L511 HydrophobicContact CE1-CD1 4.11Å; F508-L511 PolarHBondContact O-N 2.88Å; L511-L514 HydrophobicContact CD2-CD1 4.49Å; L511-L514 PolarHBondContact O-N 2.94Å; L511-E515 PolarHBondContact O-N 2.99Å; L511-A878 HydrophobicContact CD2-CB 4.45Å; L511-F881 HydrophobicContact CD2-CB 3.51Å; L511-L883 HydrophobicContact CB-CB 4.12Å; L511-L883 HydrophobicContact CB-CD1 4.01Å; L511-L883 HydrophobicContact CB-CD2 4.21Å; L511-L883 HydrophobicContact CB-CG 4.33Å; L511-L883 HydrophobicContact CD1-CB 4.13Å; L511-L883 HydrophobicContact CD1-CD1 4.46Å
512	L	97.9	Very high	93.8	Very high	7 Å²	7	29.6 Å²	29.6	4%	0.037	15%	0.153	C	C	.	.	H	α-helix	trans	-62.8	-41.3	175.2	-72.6	172.8	0	0	0	112.2	F508 S509 T510 E515 E516 I614 C617 L621 P844	F508-L512 VanDerWaalsContact O-CG 3.3Å; F508-L512 WeakPolarHBondContact O-CG 3.34Å; F508-L512 PolarHBondContact O-N 3.49Å; S509-L512 PolarHBondContact O-N 3.03Å; T510-L512 VanDerWaalsContact C-N 3.32Å; T510-L512 PolarHBondContact O-N 2.94Å; L512-E515 PolarHBondContact O-N 3.42Å; L512-E516 WeakPolarHBondContact O-CB 3.47Å; L512-E516 PolarHBondContact O-N 2.69Å; L512-I614 HydrophobicContact CB-CG2 4.19Å; L512-I614 HydrophobicContact CD2-CG1 4.5Å; L512-C617 HydrophobicContact CD1-CB 3.62Å; L512-C617 HydrophobicContact CD2-CB 3.92Å; L512-C617 HydrophobicContact CG-CB 4.45Å; L512-L621 HydrophobicContact CD1-CD1 3.69Å; L512-P844 HydrophobicContact CD1-CB 4.08Å; L512-P844 HydrophobicContact CD1-CG 4.38Å; L512-P844 HydrophobicContact CD2-CB 4.31Å; L512-P844 HydrophobicContact CD2-CG 4.44Å; L512-P844 HydrophobicContact CG-CB 4.49Å; L512-P844 HydrophobicContact CG-CG 4.43Å
513	W	97.6	Very high	93.3	Very high	38 Å²	38	25.3 Å²	25.3	14%	0.144	12%	0.122	C	C	.	.	H	α-helix	trans	-67.1	-36.1	174.8	-67.1	-39.2	0	0	0	112.9	F472 V474 P475 L478 S509 T510 E515 E516 L517 H618	F472-W513 PolarHBondContact O-NE1 3.43Å; V474-W513 HydrophobicContact CG1-CB 4.25Å; V474-W513 HydrophobicContact CG1-CG 4.45Å; V474-W513 HydrophobicContact CG2-CB 4.31Å; V474-W513 HydrophobicContact CG2-CG 4.23Å; P475-W513 HydrophobicContact CG-CD2 4.09Å; P475-W513 HydrophobicContact CG-CE3 3.57Å; P475-W513 HydrophobicContact CG-CH2 3.73Å; P475-W513 HydrophobicContact CG-CZ2 4.18Å; P475-W513 HydrophobicContact CG-CZ3 3.4Å; L478-W513 HydrophobicContact CD2-CB 3.71Å; L478-W513 HydrophobicContact CD2-CE3 4.05Å; L478-W513 HydrophobicContact CD2-CG 4.48Å; S509-W513 VanDerWaalsContact O-CD2 3.24Å; S509-W513 PolarHBondContact O-N 2.87Å; T510-W513 PolarHBondContact O-N 2.96Å; W513-E515 VanDerWaalsContact C-N 3.32Å; W513-E516 WeakPolarHBondContact O-CB 3.37Å; W513-E516 PolarHBondContact O-N 2.76Å; W513-L517 WeakPolarHBondContact O-CB 3.3Å; W513-L517 VanDerWaalsContact O-CG 3.3Å; W513-L517 WeakPolarHBondContact O-CG 3.5Å; W513-L517 PolarHBondContact O-N 3.5Å; W513-H618 AromaticContact CD1-CE1 3.76Å; W513-H618 AromaticContact CD1-NE2 3.47Å; W513-H618 AromaticContact CE2-CE1 3.49Å; W513-H618 VanDerWaalsContact CE2-CE1 3.49Å; W513-H618 AromaticContact CE2-NE2 3.93Å; W513-H618 AromaticContact CZ2-CE1 3.91Å; W513-H618 AromaticContact NE1-CE1 3.33Å; W513-H618 PolarHBondContact NE1-CE1 2.81Å; W513-H618 VanDerWaalsContact NE1-CE1 3.33Å; W513-H618 AromaticContact NE1-NE2 3.27Å; W513-H618 PolarHBondContact NE1-NE2 3Å
514	L	97.2	Very high	92.7	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-65.1	-36.9	174.4	-71	173.6	0	0	0	112	L478 V482 V488 L495 T510 L511 N518 S875 L877 A878	L478-L514 HydrophobicContact CD1-CD2 4.07Å; L478-L514 HydrophobicContact CG-CD2 4.46Å; V482-L514 HydrophobicContact CG2-CD2 3.64Å; V488-L514 HydrophobicContact CG1-CD1 4.31Å; V488-L514 HydrophobicContact CG1-CD2 4.22Å; V488-L514 HydrophobicContact CG2-CD2 4.36Å; L495-L514 HydrophobicContact CD1-CD1 4.14Å; T510-L514 HydrophobicContact CG2-CD1 4.18Å; T510-L514 HydrophobicContact CG2-CG 4.32Å; T510-L514 WeakPolarHBondContact O-CG 3.46Å; T510-L514 PolarHBondContact O-N 2.97Å; L511-L514 HydrophobicContact CD2-CD1 4.49Å; L511-L514 PolarHBondContact O-N 2.94Å; L514-N518 WeakPolarHBondContact O-CB 3.43Å; L514-N518 PolarHBondContact O-N 2.68Å; L514-N518 VanDerWaalsContact O-N 3.14Å; L514-S875 PolarHBondContact O-OG 3.31Å; L514-L877 HydrophobicContact CD1-CB 4.21Å; L514-L877 HydrophobicContact CD2-CD1 4.38Å; L514-A878 HydrophobicContact CB-CB 4.03Å
515	E	95.9	Very high	91.9	Very high	24 Å²	24	35 Å²	35	11%	0.112	16%	0.162	C	C	.	.	H	α-helix	trans	-67.3	-42.7	172.2	-173.8	64.1	-171.2	0	0	111.4	L511 L512 W513 N518 A519 I614 V873 K874 S875 L883	L511-E515 PolarHBondContact O-N 2.99Å; L512-E515 PolarHBondContact O-N 3.42Å; W513-E515 VanDerWaalsContact C-N 3.32Å; E515-N518 PolarHBondContact O-N 2.75Å; E515-A519 WeakPolarHBondContact O-CB 3.04Å; E515-A519 PolarHBondContact O-N 2.96Å; E515-I614 HydrophobicContact CB-CD1 4.47Å; E515-I614 HydrophobicContact CG-CD1 4.45Å; E515-V873 WeakPolarHBondContact OE2-CG1 3.45Å; E515-K874 WeakPolarHBondContact OE1-CB 3.36Å; E515-K874 PolarHBondContact OE1-N 2.87Å; E515-K874 PolarHBondContact OE2-N 2.82Å; E515-S875 WeakPolarHBondContact OE2-CB 3.46Å; E515-S875 PolarHBondContact OE2-N 2.92Å; E515-L883 HydrophobicContact CB-CD2 4.06Å
516	E	94.5	Very high	91.2	Very high	3 Å²	3	34.6 Å²	34.6	1%	0.014	16%	0.161	C	C	.	.	H	α-helix	trans	-59.1	-48.5	175.4	-173.6	178.6	140.1	0	0	111.9	V474 L512 W513 N518 A519 E520 Y609 R611 I614	V474-E516 HydrophobicContact CG2-CG 4.41Å; V474-E516 WeakPolarHBondContact CG2-OE1 3.47Å; L512-E516 WeakPolarHBondContact O-CB 3.47Å; L512-E516 PolarHBondContact O-N 2.69Å; W513-E516 WeakPolarHBondContact O-CB 3.37Å; W513-E516 PolarHBondContact O-N 2.76Å; E516-N518 VanDerWaalsContact C-N 3.32Å; E516-N518 PolarHBondContact O-N 2.66Å; E516-A519 PolarHBondContact O-N 3.24Å; E516-E520 WeakPolarHBondContact O-CG 3.4Å; E516-E520 PolarHBondContact O-N 3.14Å; E516-Y609 HydrophobicContact CB-CE1 4.48Å; E516-Y609 HydrophobicContact CG-CD1 4.04Å; E516-Y609 HydrophobicContact CG-CE1 4.03Å; E516-R611 IonicContact OE1-CZ 3.82Å; E516-R611 VanDerWaalsContact OE1-CZ 3.23Å; E516-R611 IonicContact OE1-NE 2.87Å; E516-R611 PolarHBondContact OE1-NE 3.37Å; E516-R611 IonicContact OE1-NH2 3.9Å; E516-R611 PolarHBondContact OE1-NH2 3.44Å; E516-R611 IonicContact OE2-CZ 3.26Å; E516-R611 IonicContact OE2-NE 3.97Å; E516-R611 PolarHBondContact OE2-NE 3.31Å; E516-R611 IonicContact OE2-NH2 3.91Å; E516-R611 PolarHBondContact OE2-NH2 3.39Å; E516-I614 HydrophobicContact CB-CD1 3.84Å
517	L	93.9	Very high	90.7	Very high	7 Å²	7	34.7 Å²	34.7	4%	0.037	16%	0.161	C	C	.	.	H	α-helix	trans	-62.1	-39.1	178.4	-73.8	172.9	0	0	0	112.2	V474 L478 R479 V482 W513 E520 K521	V474-L517 HydrophobicContact CG1-CD1 3.98Å; V474-L517 HydrophobicContact CG1-CD2 4.1Å; V474-L517 HydrophobicContact CG1-CG 4.09Å; L478-L517 HydrophobicContact CG-CD1 4.42Å; R479-L517 HydrophobicContact CB-CD2 4.33Å; R479-L517 HydrophobicContact CG-CD2 4.12Å; R479-L517 VanDerWaalsContact CZ-CD2 3.44Å; V482-L517 HydrophobicContact CB-CD1 4.05Å; V482-L517 HydrophobicContact CG1-CD1 4.32Å; V482-L517 HydrophobicContact CG2-CD1 3.91Å; W513-L517 WeakPolarHBondContact O-CB 3.3Å; W513-L517 VanDerWaalsContact O-CG 3.3Å; W513-L517 WeakPolarHBondContact O-CG 3.5Å; W513-L517 PolarHBondContact O-N 3.5Å; L517-E520 PolarHBondContact O-N 2.88Å; L517-K521 PolarHBondContact O-N 3.22Å
518	N	92.3	Very high	90.1	Very high	48 Å²	48	35.5 Å²	35.5	26%	0.257	17%	0.167	S	C	.	.	H	α-helix	trans	-65.7	-44.5	175.8	-173.9	83.9	0	0	0	111.6	L514 E515 E516 E520 K521 E522 K874	L514-N518 WeakPolarHBondContact O-CB 3.43Å; L514-N518 PolarHBondContact O-N 2.68Å; L514-N518 VanDerWaalsContact O-N 3.14Å; E515-N518 PolarHBondContact O-N 2.75Å; E516-N518 VanDerWaalsContact C-N 3.32Å; E516-N518 PolarHBondContact O-N 2.66Å; N518-E520 VanDerWaalsContact C-N 3.33Å; N518-E520 PolarHBondContact O-N 2.89Å; N518-K521 PolarHBondContact O-N 3.28Å; N518-E522 PolarHBondContact O-N 2.98Å; N518-K874 WeakPolarHBondContact ND2-CB 3.36Å
519	A	88.7	Confident	89.4	Confident	8 Å²	8	38.4 Å²	38.4	7%	0.066	19%	0.189	C	C	.	.	H	α-helix	trans	-64.1	-37.7	177.2	0	0	0	0	0	112.3	E515 E516 L523 Y609	E515-A519 WeakPolarHBondContact O-CB 3.04Å; E515-A519 PolarHBondContact O-N 2.96Å; E516-A519 PolarHBondContact O-N 3.24Å; A519-L523 WeakPolarHBondContact O-CB 3.49Å; A519-L523 PolarHBondContact O-N 3.3Å; A519-Y609 HydrophobicContact CB-CD1 4.3Å; A519-Y609 HydrophobicContact CB-CD2 3.61Å; A519-Y609 HydrophobicContact CB-CE1 4.25Å; A519-Y609 HydrophobicContact CB-CE2 3.55Å; A519-Y609 HydrophobicContact CB-CG 4Å
520	E	88.3	Confident	88.7	Confident	37 Å²	37	40 Å²	40	17%	0.173	21%	0.206	C	C	.	.	H	α-helix	trans	-62.1	-42.5	171.1	-73.9	-179.5	-177.9	0	0	112.1	R479 E516 L517 N518 R524	R479-E520 IonicContact CZ-OE2 3.28Å; R479-E520 IonicContact NH1-OE2 3.02Å; R479-E520 PolarHBondContact NH1-OE2 2.86Å; R479-E520 IonicContact NH2-OE1 3.45Å; R479-E520 PolarHBondContact NH2-OE1 3.37Å; R479-E520 VanDerWaalsContact NH2-OE1 3.09Å; R479-E520 IonicContact NH2-OE2 3.93Å; R479-E520 PolarHBondContact NH2-OE2 3.08Å; E516-E520 WeakPolarHBondContact O-CG 3.4Å; E516-E520 PolarHBondContact O-N 3.14Å; L517-E520 PolarHBondContact O-N 2.88Å; N518-E520 VanDerWaalsContact C-N 3.33Å; N518-E520 PolarHBondContact O-N 2.89Å; E520-R524 WeakPolarHBondContact O-CB 3.17Å; E520-R524 VanDerWaalsContact O-CG 3.25Å; E520-R524 WeakPolarHBondContact O-CG 3.05Å; E520-R524 PolarHBondContact O-N 3.44Å; E520-R524 VanDerWaalsContact O-N 3.07Å; E520-R524 PolarHBondContact O-NE 3.13Å; E520-R524 IonicContact OE2-NH2 3.79Å; E520-R524 PolarHBondContact OE2-NH2 2.94Å
521	K	85.6	Confident	88.1	Confident	109 Å²	109	40.3 Å²	40.3	47%	0.474	21%	0.208	S	C	.	.	H	α-helix	trans	-64.1	-48.3	178.1	-177	178.3	177.2	175.3	0	111.1	L517 N518 L523 R524 E525	L517-K521 PolarHBondContact O-N 3.22Å; N518-K521 PolarHBondContact O-N 3.28Å; K521-L523 PolarHBondContact O-N 2.93Å; K521-R524 WeakPolarHBondContact O-CB 3.36Å; K521-R524 PolarHBondContact O-N 3.07Å; K521-E525 PolarHBondContact O-N 2.88Å
522	E	83.3	Confident	87.6	Confident	62 Å²	62	46.1 Å²	46.1	29%	0.29	24%	0.238	S	C	.	.	H	α-helix	trans	-60.1	-44.6	178.7	-173	-172.9	-174.7	0	0	111.6	N518 R524 E525 F526 K874	N518-E522 PolarHBondContact O-N 2.98Å; E522-R524 VanDerWaalsContact C-N 3.33Å; E522-R524 PolarHBondContact O-N 2.91Å; E522-E525 WeakPolarHBondContact O-CB 3.48Å; E522-E525 PolarHBondContact O-N 3.02Å; E522-F526 HydrophobicContact CG-CE2 4.46Å; E522-F526 WeakPolarHBondContact O-CD2 3.33Å; E522-F526 WeakPolarHBondContact O-CE2 3.28Å; E522-K874 IonicContact OE1-NZ 3.14Å; E522-K874 PolarHBondContact OE1-NZ 2.75Å; E522-K874 WeakPolarHBondContact OE2-CD 3.44Å; E522-K874 IonicContact OE2-NZ 2.68Å; E522-K874 PolarHBondContact OE2-NZ 2.73Å
523	L	81.7	Confident	87.2	Confident	21 Å²	21	46.2 Å²	46.2	11%	0.11	24%	0.239	C	C	.	.	H	α-helix	trans	-66.8	-34	177.1	-80.6	168	0	0	0	112.9	A519 K521 E525 F526 P552 F607 Y609	A519-L523 WeakPolarHBondContact O-CB 3.49Å; A519-L523 PolarHBondContact O-N 3.3Å; K521-L523 PolarHBondContact O-N 2.93Å; L523-E525 PolarHBondContact O-N 3.45Å; L523-F526 PolarHBondContact O-N 2.86Å; L523-P552 HydrophobicContact CD2-CB 3.72Å; L523-F607 HydrophobicContact CD2-CB 4.13Å; L523-Y609 HydrophobicContact CD1-CD2 4.04Å; L523-Y609 HydrophobicContact CD1-CG 4.38Å
524	R	81.2	Confident	86.9	Confident	99 Å²	99	50.9 Å²	50.9	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-63.3	-29.6	176.1	-81.7	-179	-106.8	170.9	-10.4	112.4	E520 K521 E522 F526 S527	E520-R524 WeakPolarHBondContact O-CB 3.17Å; E520-R524 VanDerWaalsContact O-CG 3.25Å; E520-R524 WeakPolarHBondContact O-CG 3.05Å; E520-R524 PolarHBondContact O-N 3.44Å; E520-R524 VanDerWaalsContact O-N 3.07Å; E520-R524 PolarHBondContact O-NE 3.13Å; E520-R524 IonicContact OE2-NH2 3.79Å; E520-R524 PolarHBondContact OE2-NH2 2.94Å; K521-R524 WeakPolarHBondContact O-CB 3.36Å; K521-R524 PolarHBondContact O-N 3.07Å; E522-R524 VanDerWaalsContact C-N 3.33Å; E522-R524 PolarHBondContact O-N 2.91Å; R524-F526 PolarHBondContact O-N 2.79Å; R524-S527 VanDerWaalsContact O-CB 3.32Å; R524-S527 WeakPolarHBondContact O-CB 3.31Å; R524-S527 PolarHBondContact O-N 3.09Å; R524-S527 PolarHBondContact O-OG 3.27Å
525	E	77.9	Confident	86.4	Confident	125 Å²	125	55.9 Å²	55.9	58%	0.584	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-24.1	175.9	-66.6	172.8	-174.8	0	0	113.1	K521 E522 L523	K521-E525 PolarHBondContact O-N 2.88Å; E522-E525 WeakPolarHBondContact O-CB 3.48Å; E522-E525 PolarHBondContact O-N 3.02Å; L523-E525 PolarHBondContact O-N 3.45Å
526	F	78.9	Confident	85.8	Confident	56 Å²	56	55.6 Å²	55.6	25%	0.246	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	6.5	177.6	-61.1	-78.2	0	0	0	113.5	E522 L523 R524 I528 R551 P552 F607	E522-F526 HydrophobicContact CG-CE2 4.46Å; E522-F526 WeakPolarHBondContact O-CD2 3.33Å; E522-F526 WeakPolarHBondContact O-CE2 3.28Å; L523-F526 PolarHBondContact O-N 2.86Å; R524-F526 PolarHBondContact O-N 2.79Å; F526-I528 WeakPolarHBondContact O-CG1 3.34Å; F526-I528 PolarHBondContact O-N 2.86Å; F526-R551 HydrophobicContact CE1-CB 3.65Å; F526-R551 HydrophobicContact CE1-CG 4.49Å; F526-R551 HydrophobicContact CZ-CB 3.68Å; F526-R551 HydrophobicContact CZ-CG 4.08Å; F526-P552 HydrophobicContact CB-CB 3.92Å; F526-P552 HydrophobicContact CB-CG 3.86Å; F526-P552 HydrophobicContact CD1-CB 4.49Å; F526-P552 HydrophobicContact CD2-CB 3.77Å; F526-P552 HydrophobicContact CE2-CB 4.47Å; F526-P552 HydrophobicContact CG-CB 3.79Å; F526-P552 HydrophobicContact CG-CG 4.07Å; F526-F607 HydrophobicContact CB-CD2 4.16Å; F526-F607 HydrophobicContact CB-CE2 4.31Å; F526-F607 VanDerWaalsContact O-CE2 3.27Å; F526-F607 WeakPolarHBondContact O-CE2 3.2Å
527	S	83.4	Confident	85.2	Confident	40 Å²	40	59 Å²	59	28%	0.28	32%	0.318	S	S	.	.			trans	-61.2	135.2	177.6	-53.1	0	0	0	0	110.5	R524 V605	R524-S527 VanDerWaalsContact O-CB 3.32Å; R524-S527 WeakPolarHBondContact O-CB 3.31Å; R524-S527 PolarHBondContact O-N 3.09Å; R524-S527 PolarHBondContact O-OG 3.27Å; S527-V605 CarbonylContact C-O 3.59Å; S527-V605 VanDerWaalsContact CA-O 3.31Å; S527-V605 WeakPolarHBondContact CA-O 3.47Å; S527-V605 WeakPolarHBondContact CB-O 3.41Å
528	I	83.3	Confident	84.6	Confident	48 Å²	48	63.3 Å²	63.3	25%	0.246	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.8	-174.6	-50.2	175.8	0	0	0	108.3	F526 A531 L542 V544 D604 V605 F607	F526-I528 WeakPolarHBondContact O-CG1 3.34Å; F526-I528 PolarHBondContact O-N 2.86Å; I528-A531 HydrophobicContact CB-CB 4.32Å; I528-A531 HydrophobicContact CG2-CB 3.79Å; I528-L542 HydrophobicContact CD1-CD1 4.28Å; I528-L542 HydrophobicContact CD1-CD2 4.4Å; I528-V544 HydrophobicContact CD1-CG2 4.24Å; I528-D604 CarbonylContact O-C 3.46Å; I528-D604 WeakPolarHBondContact O-CA 3.43Å; I528-V605 HydrophobicContact CB-CB 4.17Å; I528-V605 HydrophobicContact CB-CG2 4.49Å; I528-V605 PolarHBondContact N-O 3.12Å; I528-V605 PolarHBondContact O-N 2.96Å; I528-F607 HydrophobicContact CD1-CE2 4.45Å; I528-F607 HydrophobicContact CD1-CZ 4.46Å; I528-F607 HydrophobicContact CG1-CE2 4.46Å
529	S	83.3	Confident	84.5	Confident	67 Å²	67	63.9 Å²	63.9	47%	0.469	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	133.3	173.6	-59.9	0	0	0	0	111.1	A531 D604	S529-A531 PolarHBondContact O-N 3.16Å; S529-D604 WeakPolarHBondContact CA-OD1 3.42Å
530	G	82.1	Confident	84.6	Confident	36 Å²	36	63.5 Å²	63.5	37%	0.371	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	64.5	33.6	176.5	0	0	0	0	0	115.4	L603 D604	G530-L603 CarbonylContact C-O 3.6Å; G530-L603 PolarHBondContact N-O 2.79Å; G530-D604 PolarHBondContact N-OD1 3.29Å
531	A	86.2	Confident	84.7	Confident	9 Å²	9	64.2 Å²	64.2	7%	0.074	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	136.1	177.5	0	0	0	0	0	111.8	I528 S529 L542 P602 L603 V605	I528-A531 HydrophobicContact CB-CB 4.32Å; I528-A531 HydrophobicContact CG2-CB 3.79Å; S529-A531 PolarHBondContact O-N 3.16Å; A531-L542 HydrophobicContact CB-CD1 3.77Å; A531-P602 WeakPolarHBondContact O-CA 3.45Å; A531-L603 WeakPolarHBondContact CB-O 3.39Å; A531-L603 PolarHBondContact N-O 2.93Å; A531-L603 PolarHBondContact O-N 3.16Å; A531-V605 HydrophobicContact CB-CG2 3.58Å
532	L	87	Confident	85	Confident	122 Å²	122	59.1 Å²	59.1	64%	0.639	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-97.6	116.6	172.5	-62.1	175.6	0	0	0	108.9	G600 P602	L532-G600 WeakPolarHBondContact CD2-O 3.29Å; L532-P602 HydrophobicContact CD2-CB 4.26Å
533	L	89.9	Confident	85.1	Confident	9 Å²	9	61.1 Å²	61.1	5%	0.047	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-89.9	138.1	178.2	-59.2	169.2	0	0	0	110.2	L540 H541 L542 L562 L588 Y598 L603	L533-L540 HydrophobicContact CB-CB 4.21Å; L533-L540 HydrophobicContact CB-CD1 4.49Å; L533-L540 HydrophobicContact CD1-CB 4.18Å; L533-L540 HydrophobicContact CD1-CD1 3.68Å; L533-H541 CarbonylContact C-O 3.53Å; L533-H541 WeakPolarHBondContact CA-O 3.48Å; L533-L542 HydrophobicContact CD2-CB 3.52Å; L533-L542 HydrophobicContact CD2-CD1 3.62Å; L533-L542 HydrophobicContact CD2-CG 4.11Å; L533-L562 HydrophobicContact CD1-CD1 3.82Å; L533-L562 HydrophobicContact CD1-CD2 4.21Å; L533-L588 HydrophobicContact CD2-CD1 4.3Å; L533-Y598 HydrophobicContact CB-CE1 3.65Å; L533-Y598 PolarHBondContact N-OH 3.18Å; L533-Y598 WeakPolarHBondContact O-CE1 3.25Å; L533-L603 HydrophobicContact CD1-CD1 3.63Å
534	R	89.9	Confident	85	Confident	136 Å²	136	60.3 Å²	60.3	51%	0.513	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127	173.7	-61	-175.6	-70.9	-172.8	-1.2	109.7	G536 H541 N585	R534-G536 PolarHBondContact O-N 2.91Å; R534-H541 HydrophobicContact CB-CB 4.24Å; R534-H541 PolarHBondContact N-O 3.11Å; R534-H541 PolarHBondContact O-N 3.38Å; R534-N585 VanDerWaalsContact NH2-CG 3.29Å; R534-N585 PolarHBondContact NH2-ND2 3.02Å; R534-N585 PolarHBondContact NH2-OD1 2.81Å
535	K	87.5	Confident	84.4	Confident	107 Å²	107	61.8 Å²	61.8	47%	0.465	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	111.1	-178.9	-166.1	171.6	-171.2	159.7	0	110.6	L540 H595 H596 Y598	K535-L540 HydrophobicContact CB-CD2 4.33Å; K535-L540 HydrophobicContact CG-CD2 4.18Å; K535-H595 WeakPolarHBondContact CE-O 3.35Å; K535-H595 PolarHBondContact NZ-O 3.01Å; K535-H596 PolarHBondContact NZ-O 3.19Å; K535-Y598 PolarHBondContact NZ-O 3.42Å
536	G	83.8	Confident	83.6	Confident	18 Å²	18	56.4 Å²	56.4	19%	0.186	32%	0.319	C	S	.	.			trans	-92.9	-176.7	168.9	0	0	0	0	0	111.9	R534 Y539 H595	R534-G536 PolarHBondContact O-N 2.91Å; G536-Y539 CarbonylContact C-O 3.55Å; G536-Y539 WeakPolarHBondContact CA-O 3.26Å; G536-Y539 PolarHBondContact N-O 3.36Å; G536-H595 PolarHBondContact O-CE1 3.42Å; G536-H595 PolarHBondContact O-NE2 2.92Å
537	G	80.8	Confident	83.3	Confident	75 Å²	75	54.3 Å²	54.3	77%	0.773	31%	0.311	S	S	*	.	S	Bend	trans	-58.8	-53.8	-177.5	0	0	0	0	0	113.7	H595	G537-H595 PolarHBondContact O-CE1 3.44Å
538	V	82.5	Confident	82	Confident	98 Å²	98	55.4 Å²	55.4	59%	0.594	32%	0.322	S	S	*	.	S	Bend	trans	-125.8	2.2	178.9	-79.5	0	0	0	0	113.5
539	Y	89.4	Confident	80.9	Confident	60 Å²	60	55.1 Å²	55.1	24%	0.235	32%	0.32	C	S	.	.			trans	-128.3	159.4	-176.5	-51.8	-66.9	0	0	0	110.7	G536 T579 L588 R589 H595	G536-Y539 CarbonylContact C-O 3.55Å; G536-Y539 WeakPolarHBondContact CA-O 3.26Å; G536-Y539 PolarHBondContact N-O 3.36Å; Y539-T579 HydrophobicContact CD1-CG2 4.38Å; Y539-T579 HydrophobicContact CE1-CG2 3.96Å; Y539-L588 WeakPolarHBondContact CA-O 3.44Å; Y539-R589 HydrophobicContact CD1-CB 4.29Å; Y539-R589 HydrophobicContact CE1-CB 4.46Å; Y539-H595 PolarHBondContact O-NE2 2.85Å
540	L	90.9	Very high	79.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	132.4	162.9	-65	-174.6	0	0	0	108.2	L533 K535 L588 V590 F594 Y598	L533-L540 HydrophobicContact CB-CB 4.21Å; L533-L540 HydrophobicContact CB-CD1 4.49Å; L533-L540 HydrophobicContact CD1-CB 4.18Å; L533-L540 HydrophobicContact CD1-CD1 3.68Å; K535-L540 HydrophobicContact CB-CD2 4.33Å; K535-L540 HydrophobicContact CG-CD2 4.18Å; L540-L588 PolarHBondContact N-O 3.2Å; L540-L588 WeakPolarHBondContact O-CA 3.38Å; L540-L588 WeakPolarHBondContact O-CB 3.47Å; L540-L588 PolarHBondContact O-N 3.49Å; L540-V590 HydrophobicContact CD1-CG1 3.94Å; L540-V590 HydrophobicContact CD1-CG2 3.9Å; L540-V590 HydrophobicContact CG-CG1 4.3Å; L540-V590 HydrophobicContact CG-CG2 4Å; L540-F594 HydrophobicContact CD1-CD1 4.41Å; L540-F594 HydrophobicContact CD1-CE1 3.96Å; L540-Y598 HydrophobicContact CD1-CD1 4.05Å; L540-Y598 HydrophobicContact CD1-CG 4.18Å; L540-Y598 HydrophobicContact CD2-CD1 3.83Å; L540-Y598 HydrophobicContact CD2-CE1 4.45Å
541	H	91.1	Very high	79.3	Confident	51 Å²	51	55.2 Å²	55.2	24%	0.236	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	125.6	179.9	-55.6	-78.4	0	0	0	110	L533 R534 V586 S587	L533-H541 CarbonylContact C-O 3.53Å; L533-H541 WeakPolarHBondContact CA-O 3.48Å; R534-H541 HydrophobicContact CB-CB 4.24Å; R534-H541 PolarHBondContact N-O 3.11Å; R534-H541 PolarHBondContact O-N 3.38Å; H541-V586 CarbonylContact C-O 3.54Å; H541-V586 WeakPolarHBondContact CA-O 3.41Å; H541-S587 PolarHBondContact CE1-OG 2.67Å; H541-S587 PolarHBondContact ND1-OG 2.79Å
542	L	91.1	Very high	78.8	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129.8	175.1	176.4	65.3	0	0	0	109.2	I528 A531 L533 V544 N585 V586 L588 V605 F607	I528-L542 HydrophobicContact CD1-CD1 4.28Å; I528-L542 HydrophobicContact CD1-CD2 4.4Å; A531-L542 HydrophobicContact CB-CD1 3.77Å; L533-L542 HydrophobicContact CD2-CB 3.52Å; L533-L542 HydrophobicContact CD2-CD1 3.62Å; L533-L542 HydrophobicContact CD2-CG 4.11Å; L542-V544 HydrophobicContact CD2-CG2 3.6Å; L542-V544 HydrophobicContact CG-CG2 3.66Å; L542-N585 WeakPolarHBondContact O-CA 3.39Å; L542-V586 HydrophobicContact CB-CB 4.43Å; L542-V586 PolarHBondContact N-O 3.02Å; L542-V586 PolarHBondContact O-N 2.88Å; L542-L588 HydrophobicContact CB-CD1 4.01Å; L542-L588 HydrophobicContact CB-CG 4.47Å; L542-L588 HydrophobicContact CD2-CD1 4.27Å; L542-V605 HydrophobicContact CD1-CG2 4.07Å; L542-V605 HydrophobicContact CD2-CB 4.44Å; L542-V605 HydrophobicContact CD2-CG1 3.72Å; L542-V605 HydrophobicContact CD2-CG2 4.19Å; L542-F607 HydrophobicContact CD2-CE1 4.37Å; L542-F607 HydrophobicContact CD2-CZ 4.05Å
543	E	84.6	Confident	78.1	Confident	105 Å²	105	53.9 Å²	53.9	49%	0.491	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	127	168.1	-172.2	170.8	-166.9	0	0	109.4	E584	E543-E584 CarbonylContact C-O 3.59Å; E543-E584 WeakPolarHBondContact CA-O 3.49Å
544	V	81.4	Confident	77.5	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.024	30%	0.302	C	S	.	.			trans	-128.8	101.6	-178.1	-174.1	0	0	0	0	107.7	I528 L542 G546 L547 P552 E584 V586 F607	I528-V544 HydrophobicContact CD1-CG2 4.24Å; L542-V544 HydrophobicContact CD2-CG2 3.6Å; L542-V544 HydrophobicContact CG-CG2 3.66Å; V544-G546 PolarHBondContact O-N 2.97Å; V544-L547 HydrophobicContact CB-CB 4.05Å; V544-L547 HydrophobicContact CB-CD2 4.32Å; V544-L547 HydrophobicContact CG1-CB 4.19Å; V544-L547 WeakPolarHBondContact O-CB 3.43Å; V544-L547 PolarHBondContact O-N 3.41Å; V544-P552 HydrophobicContact CG1-CG 4.11Å; V544-E584 PolarHBondContact N-O 2.87Å; V544-V586 HydrophobicContact CB-CG2 4.45Å; V544-V586 HydrophobicContact CG2-CG2 3.77Å; V544-F607 HydrophobicContact CG1-CZ 4.16Å; V544-F607 HydrophobicContact CG2-CZ 3.91Å
545	L	67	Low	76.8	Confident	129 Å²	129	51.9 Å²	51.9	68%	0.675	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	133.7	179.5	-63.2	176.1	0	0	0	110.6	L547	L545-L547 VanDerWaalsContact C-N 3.28Å; L545-L547 PolarHBondContact O-N 3.35Å
546	G	62.4	Low	76.2	Confident	13 Å²	13	49.7 Å²	49.7	13%	0.134	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	5.7	-179.1	0	0	0	0	0	114.8	V544 A548 E549 G550 R551 E584	V544-G546 PolarHBondContact O-N 2.97Å; G546-A548 VanDerWaalsContact C-N 3.34Å; G546-A548 PolarHBondContact O-N 3.22Å; G546-E549 CarbonylContact O-C 3.54Å; G546-E549 WeakPolarHBondContact O-CA 3.4Å; G546-E549 WeakPolarHBondContact O-CB 3.44Å; G546-E549 PolarHBondContact O-N 3.11Å; G546-G550 PolarHBondContact O-N 2.97Å; G546-R551 CarbonylContact C-O 3.37Å; G546-R551 PolarHBondContact O-N 3.16Å; G546-E584 PolarHBondContact N-OE1 2.74Å
547	L	71.5	Confident	75.7	Confident	11 Å²	11	50.9 Å²	50.9	6%	0.058	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-64.6	-36.3	175.6	-179.4	68.7	0	0	0	112.9	V544 L545 E549 G550 R551 P552 L554 I581 V586	V544-L547 HydrophobicContact CB-CB 4.05Å; V544-L547 HydrophobicContact CB-CD2 4.32Å; V544-L547 HydrophobicContact CG1-CB 4.19Å; V544-L547 WeakPolarHBondContact O-CB 3.43Å; V544-L547 PolarHBondContact O-N 3.41Å; L545-L547 VanDerWaalsContact C-N 3.28Å; L545-L547 PolarHBondContact O-N 3.35Å; L547-E549 PolarHBondContact O-N 3.49Å; L547-G550 WeakPolarHBondContact O-CA 3.37Å; L547-G550 PolarHBondContact O-N 3.46Å; L547-R551 PolarHBondContact N-O 3.06Å; L547-P552 WeakPolarHBondContact CD1-O 3.24Å; L547-L554 HydrophobicContact CD1-CB 4.21Å; L547-L554 HydrophobicContact CD1-CD1 3.82Å; L547-L554 HydrophobicContact CD1-CG 4.14Å; L547-I581 HydrophobicContact CD2-CG2 3.73Å; L547-I581 HydrophobicContact CG-CG2 4.15Å; L547-V586 HydrophobicContact CD2-CG2 3.27Å
548	A	57.4	Low	75.6	Confident	64 Å²	64	48 Å²	48	53%	0.529	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-59.8	-25.4	169.7	0	0	0	0	0	111.5	G546 G550 D583	G546-A548 VanDerWaalsContact C-N 3.34Å; G546-A548 PolarHBondContact O-N 3.22Å; A548-G550 VanDerWaalsContact C-N 3.25Å; A548-G550 PolarHBondContact O-N 3.1Å; A548-D583 PolarHBondContact N-O 2.98Å
549	E	58.3	Low	75.7	Confident	42 Å²	42	47.8 Å²	47.8	20%	0.196	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-85	14.3	170.5	-48.1	-177.8	-162.6	0	0	113.3	G546 L547 R551 N975 R1014 K1015	G546-E549 CarbonylContact O-C 3.54Å; G546-E549 WeakPolarHBondContact O-CA 3.4Å; G546-E549 WeakPolarHBondContact O-CB 3.44Å; G546-E549 PolarHBondContact O-N 3.11Å; L547-E549 PolarHBondContact O-N 3.49Å; E549-R551 PolarHBondContact O-N 3.12Å; E549-N975 PolarHBondContact OE2-ND2 3.19Å; E549-R1014 VanDerWaalsContact CA-NH2 3.27Å; E549-R1014 PolarHBondContact O-NE 2.89Å; E549-R1014 PolarHBondContact O-NH1 3.1Å; E549-R1014 PolarHBondContact O-NH2 2.7Å; E549-K1015 VanDerWaalsContact CD-NZ 3.34Å; E549-K1015 IonicContact OE1-NZ 3.73Å; E549-K1015 PolarHBondContact OE1-NZ 3Å; E549-K1015 VanDerWaalsContact OE2-CE 3.32Å; E549-K1015 WeakPolarHBondContact OE2-CE 3.24Å; E549-K1015 IonicContact OE2-NZ 3.76Å; E549-K1015 PolarHBondContact OE2-NZ 3.28Å
550	G	63.5	Low	75.7	Confident	29 Å²	29	45 Å²	45	30%	0.299	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	26.1	179.1	0	0	0	0	0	113.5	G546 L547 A548 P552 N553	G546-G550 PolarHBondContact O-N 2.97Å; L547-G550 WeakPolarHBondContact O-CA 3.37Å; L547-G550 PolarHBondContact O-N 3.46Å; A548-G550 VanDerWaalsContact C-N 3.25Å; A548-G550 PolarHBondContact O-N 3.1Å; G550-P552 CarbonylContact C-O 3.45Å; G550-P552 CarbonylContact O-C 3.57Å; G550-N553 WeakPolarHBondContact O-CA 3.38Å; G550-N553 PolarHBondContact O-N 3.03Å; G550-N553 VanDerWaalsContact O-N 3.13Å
551	R	69.5	Low	75.6	Confident	75 Å²	75	45.5 Å²	45.5	28%	0.283	25%	0.252	S	S	.	.	S	Bend	trans	-131.8	103.1	-175.7	-75.5	-176	-179.8	-178	2.9	109.6	F526 G546 L547 E549 N975	F526-R551 HydrophobicContact CE1-CB 3.65Å; F526-R551 HydrophobicContact CE1-CG 4.49Å; F526-R551 HydrophobicContact CZ-CB 3.68Å; F526-R551 HydrophobicContact CZ-CG 4.08Å; G546-R551 CarbonylContact C-O 3.37Å; G546-R551 PolarHBondContact O-N 3.16Å; L547-R551 PolarHBondContact N-O 3.06Å; E549-R551 PolarHBondContact O-N 3.12Å; R551-N975 VanDerWaalsContact NH1-CG 3.29Å; R551-N975 PolarHBondContact NH1-ND2 2.85Å; R551-N975 PolarHBondContact NH1-OD1 3.32Å
552	P	74.4	Confident	75.5	Confident	1 Å²	1	43 Å²	43	1%	0.006	24%	0.24	C	C	.	.	S	Bend	cis	-68.8	153.4	-1.5	27.3	-30.6	0	0	0	112.5	L523 F526 V544 L547 G550 L554 F607	L523-P552 HydrophobicContact CD2-CB 3.72Å; F526-P552 HydrophobicContact CB-CB 3.92Å; F526-P552 HydrophobicContact CB-CG 3.86Å; F526-P552 HydrophobicContact CD1-CB 4.49Å; F526-P552 HydrophobicContact CD2-CB 3.77Å; F526-P552 HydrophobicContact CE2-CB 4.47Å; F526-P552 HydrophobicContact CG-CB 3.79Å; F526-P552 HydrophobicContact CG-CG 4.07Å; V544-P552 HydrophobicContact CG1-CG 4.11Å; L547-P552 WeakPolarHBondContact CD1-O 3.24Å; G550-P552 CarbonylContact C-O 3.45Å; G550-P552 CarbonylContact O-C 3.57Å; P552-L554 HydrophobicContact CB-CD2 4.36Å; P552-L554 HydrophobicContact CB-CG 4.26Å; P552-L554 HydrophobicContact CG-CD1 3.97Å; P552-L554 HydrophobicContact CG-CD2 4.27Å; P552-L554 HydrophobicContact CG-CG 3.92Å; P552-L554 PolarHBondContact O-N 3.32Å; P552-F607 HydrophobicContact CG-CD1 4.41Å; P552-F607 HydrophobicContact CG-CD2 4.02Å; P552-F607 HydrophobicContact CG-CE1 4.35Å; P552-F607 HydrophobicContact CG-CE2 3.95Å; P552-F607 HydrophobicContact CG-CG 4.25Å; P552-F607 HydrophobicContact CG-CZ 4.12Å
553	N	73.8	Confident	75.4	Confident	102 Å²	102	45.1 Å²	45.1	55%	0.545	25%	0.249	S	C	.	.			trans	-76.4	94.8	174.3	-174.2	14.8	0	0	0	109.5	G550	G550-N553 WeakPolarHBondContact O-CA 3.38Å; G550-N553 PolarHBondContact O-N 3.03Å; G550-N553 VanDerWaalsContact O-N 3.13Å
554	L	76.7	Confident	75.3	Confident	16 Å²	16	43.1 Å²	43.1	8%	0.084	24%	0.239	C	C	.	.			trans	-105.7	140.3	179.8	-60.6	176.1	0	0	0	111	L547 P552 I581 V586 F607	L547-L554 HydrophobicContact CD1-CB 4.21Å; L547-L554 HydrophobicContact CD1-CD1 3.82Å; L547-L554 HydrophobicContact CD1-CG 4.14Å; P552-L554 HydrophobicContact CB-CD2 4.36Å; P552-L554 HydrophobicContact CB-CG 4.26Å; P552-L554 HydrophobicContact CG-CD1 3.97Å; P552-L554 HydrophobicContact CG-CD2 4.27Å; P552-L554 HydrophobicContact CG-CG 3.92Å; P552-L554 PolarHBondContact O-N 3.32Å; L554-I581 HydrophobicContact CB-CD1 4.01Å; L554-I581 WeakPolarHBondContact O-CD1 3.4Å; L554-V586 HydrophobicContact CD1-CG2 4.08Å; L554-F607 HydrophobicContact CD1-CD1 3.79Å; L554-F607 HydrophobicContact CD1-CE1 3.46Å; L554-F607 VanDerWaalsContact CD1-CE1 3.46Å; L554-F607 HydrophobicContact CD1-CZ 4.28Å; L554-F607 HydrophobicContact CD2-CB 4.37Å; L554-F607 HydrophobicContact CD2-CD1 3.51Å; L554-F607 HydrophobicContact CD2-CE1 4.12Å; L554-F607 HydrophobicContact CD2-CG 4.17Å; L554-F607 HydrophobicContact CG-CD1 4.25Å; L554-F607 HydrophobicContact CG-CE1 4.39Å
555	N	75.1	Confident	74.9	Confident	87 Å²	87	49 Å²	49	47%	0.465	27%	0.27	S	S	.	.			trans	-116.2	156.2	171.5	-62	-80.5	0	0	0	110.6	G557 D558	N555-G557 PolarHBondContact O-N 3.25Å; N555-D558 PolarHBondContact N-OD2 2.94Å; N555-D558 VanDerWaalsContact O-CB 3.26Å; N555-D558 WeakPolarHBondContact O-CB 3.19Å; N555-D558 PolarHBondContact O-N 3.06Å
556	I	75.2	Confident	75.1	Confident	61 Å²	61	46.2 Å²	46.2	31%	0.313	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	129.5	170.6	-63.5	170.2	0	0	0	109.5	T579 E783	I556-T579 WeakPolarHBondContact CG2-O 3.46Å; I556-E783 WeakPolarHBondContact CD1-OE1 3.2Å
557	G	72.5	Confident	74.9	Confident	43 Å²	43	52.3 Å²	52.3	44%	0.443	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	-6.4	-175.3	0	0	0	0	0	114.7	N555 V578	N555-G557 PolarHBondContact O-N 3.25Å; G557-V578 WeakPolarHBondContact CA-O 3.5Å; G557-V578 PolarHBondContact N-O 3.44Å
558	D	80.4	Confident	74.4	Confident	14 Å²	14	57.2 Å²	57.2	8%	0.075	32%	0.32	C	S	.	.			trans	-64.8	146.8	175.9	-74.6	-14.6	0	0	0	111.2	N555 Y577 V578	N555-D558 PolarHBondContact N-OD2 2.94Å; N555-D558 VanDerWaalsContact O-CB 3.26Å; N555-D558 WeakPolarHBondContact O-CB 3.19Å; N555-D558 PolarHBondContact O-N 3.06Å; D558-Y577 CarbonylContact O-C 3.47Å; D558-Y577 WeakPolarHBondContact O-CA 3.47Å; D558-V578 HydrophobicContact CB-CG2 4.25Å; D558-V578 PolarHBondContact O-N 3.25Å
559	R	84.6	Confident	74.8	Confident	95 Å²	95	55.8 Å²	55.8	36%	0.358	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	130.2	-177.4	166.4	177.5	178.8	-163.5	-2.5	109.6	L561 E573 I575 S576 Y577 T608	R559-L561 HydrophobicContact CG-CD2 4.28Å; R559-L561 VanDerWaalsContact NE-CD2 3.3Å; R559-E573 IonicContact NH2-OE1 3.38Å; R559-I575 HydrophobicContact CG-CG2 3.9Å; R559-S576 WeakPolarHBondContact CA-O 3.49Å; R559-Y577 HydrophobicContact CB-CD1 4.44Å; R559-Y577 HydrophobicContact CB-CE1 4.34Å; R559-T608 WeakPolarHBondContact CB-OG1 3.26Å; R559-T608 HydrophobicContact CG-CG2 4.29Å; R559-T608 WeakPolarHBondContact CG-OG1 3.34Å; R559-T608 PolarHBondContact O-N 3.06Å; R559-T608 PolarHBondContact O-OG1 2.87Å
560	V	88.4	Confident	75.4	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.3	176.2	-178.3	0	0	0	0	108.6	L562 S576 V578 L588 V605 F607	V560-L562 HydrophobicContact CG1-CD2 4.37Å; V560-S576 WeakPolarHBondContact CB-OG 3.22Å; V560-S576 PolarHBondContact N-O 3Å; V560-S576 WeakPolarHBondContact O-CA 3.26Å; V560-S576 PolarHBondContact O-N 2.86Å; V560-S576 PolarHBondContact O-OG 3.44Å; V560-V578 HydrophobicContact CG2-CG2 3.75Å; V560-L588 HydrophobicContact CB-CD2 4.03Å; V560-L588 HydrophobicContact CG1-CD1 4.31Å; V560-L588 HydrophobicContact CG1-CD2 4.4Å; V560-L588 HydrophobicContact CG2-CD2 3.91Å; V560-V605 HydrophobicContact CG1-CG1 3.43Å; V560-V605 VanDerWaalsContact CG1-CG1 3.43Å; V560-F607 HydrophobicContact CG1-CD1 4.2Å; V560-F607 HydrophobicContact CG1-CE1 4.19Å; V560-F607 HydrophobicContact CG2-CD1 3.82Å; V560-F607 HydrophobicContact CG2-CE1 4.09Å
561	L	88.8	Confident	76.1	Confident	11 Å²	11	55.6 Å²	55.6	6%	0.058	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.8	179	-55	175.4	0	0	0	109	R559 E573 I575 V605 E606 T608	R559-L561 HydrophobicContact CG-CD2 4.28Å; R559-L561 VanDerWaalsContact NE-CD2 3.3Å; L561-E573 HydrophobicContact CB-CG 4.43Å; L561-E573 WeakPolarHBondContact CD1-OE1 3.44Å; L561-E573 HydrophobicContact CD2-CG 4.27Å; L561-E573 WeakPolarHBondContact CD2-OE1 3.35Å; L561-I575 HydrophobicContact CD2-CG1 4.02Å; L561-V605 WeakPolarHBondContact O-CA 3.21Å; L561-E606 HydrophobicContact CB-CB 4.2Å; L561-E606 HydrophobicContact CD1-CB 4.47Å; L561-E606 PolarHBondContact N-O 3.17Å; L561-E606 PolarHBondContact O-N 3.25Å; L561-T608 HydrophobicContact CD1-CG2 3.65Å; L561-T608 HydrophobicContact CD2-CG2 4.33Å; L561-T608 HydrophobicContact CG-CG2 3.71Å
562	L	89.6	Confident	76.7	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	114.8	172.6	-51.9	172.8	0	0	0	107.8	L533 V560 Y574 L588 V590 F594 L603 D604 V605	L533-L562 HydrophobicContact CD1-CD1 3.82Å; L533-L562 HydrophobicContact CD1-CD2 4.21Å; V560-L562 HydrophobicContact CG1-CD2 4.37Å; L562-Y574 PolarHBondContact N-O 3.34Å; L562-Y574 PolarHBondContact O-N 3.21Å; L562-L588 HydrophobicContact CD1-CD1 4.43Å; L562-L588 HydrophobicContact CD2-CD1 4.01Å; L562-V590 HydrophobicContact CD1-CG1 3.81Å; L562-F594 HydrophobicContact CD1-CE1 3.96Å; L562-L603 HydrophobicContact CB-CD1 4.28Å; L562-D604 CarbonylContact C-O 3.47Å; L562-D604 WeakPolarHBondContact CA-O 3.45Å; L562-V605 HydrophobicContact CD2-CB 4.46Å; L562-V605 HydrophobicContact CD2-CG1 4.19Å; L562-V605 HydrophobicContact CD2-CG2 3.82Å
563	K	88.3	Confident	77.3	Confident	46 Å²	46	54.6 Å²	54.6	20%	0.2	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	137.7	-176.5	-59	-176.5	-172.1	179	0	110.6	E571 M572 E573 D604 E606	K563-E571 HydrophobicContact CB-CG 4.32Å; K563-E571 WeakPolarHBondContact CD-OE1 3.37Å; K563-M572 CarbonylContact C-O 3.58Å; K563-M572 WeakPolarHBondContact CA-O 3.4Å; K563-E573 HydrophobicContact CG-CG 4.4Å; K563-D604 HydrophobicContact CB-CB 4.21Å; K563-D604 PolarHBondContact N-O 3.4Å; K563-D604 PolarHBondContact O-N 3.03Å; K563-E606 WeakPolarHBondContact CE-OE2 3.42Å; K563-E606 IonicContact NZ-OE2 3.61Å; K563-E606 PolarHBondContact NZ-OE2 3.12Å
564	K	83.5	Confident	77.9	Confident	63 Å²	63	50.9 Å²	50.9	27%	0.274	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	114.6	175.5	-175	176.3	-177.2	171.6	0	108.9	Q566 M572 Y574 E601 L603	K564-Q566 PolarHBondContact O-N 3.13Å; K564-M572 HydrophobicContact CB-CB 4.33Å; K564-M572 PolarHBondContact N-O 3.24Å; K564-M572 PolarHBondContact O-N 2.92Å; K564-Y574 HydrophobicContact CB-CE2 4.41Å; K564-E601 HydrophobicContact CD-CG 4.44Å; K564-E601 IonicContact NZ-OE1 2.75Å; K564-E601 PolarHBondContact NZ-OE1 3.19Å; K564-L603 HydrophobicContact CB-CD2 3.66Å; K564-L603 HydrophobicContact CD-CD2 4.24Å; K564-L603 HydrophobicContact CG-CD2 4.1Å
565	L	72.2	Confident	78.4	Confident	127 Å²	127	50.9 Å²	50.9	67%	0.665	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	121.3	173.2	-160.5	75.3	0	0	0	109.4
566	Q	71.5	Confident	79.1	Confident	70 Å²	70	46.7 Å²	46.7	33%	0.327	26%	0.259	S	S	.	.			trans	-93.1	156	171.2	-63.5	-166.2	-0.9	0	0	111.1	K564 D568 G569 L570 M572	K564-Q566 PolarHBondContact O-N 3.13Å; Q566-D568 WeakPolarHBondContact CB-OD1 3.47Å; Q566-D568 PolarHBondContact O-N 3.42Å; Q566-G569 PolarHBondContact O-N 3.36Å; Q566-L570 HydrophobicContact CB-CB 4.34Å; Q566-L570 WeakPolarHBondContact CB-O 3.49Å; Q566-L570 PolarHBondContact N-O 2.96Å; Q566-M572 HydrophobicContact CG-CG 4.24Å
567	S	57.7	Low	79.6	Confident	141 Å²	141	46 Å²	46	99%	0.986	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-11	-172.4	-39.9	0	0	0	0	114.9
568	D	61.5	Low	80.2	Confident	115 Å²	115	44 Å²	44	62%	0.615	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.6	6	-178	63.1	-12.1	0	0	0	113.6	Q566 L570	Q566-D568 WeakPolarHBondContact CB-OD1 3.47Å; Q566-D568 PolarHBondContact O-N 3.42Å; D568-L570 VanDerWaalsContact C-N 3.29Å; D568-L570 WeakPolarHBondContact OD1-CB 3.43Å; D568-L570 PolarHBondContact OD1-N 3.35Å
569	G	64.4	Low	80.3	Confident	33 Å²	33	44.9 Å²	44.9	34%	0.34	24%	0.238	S	C	.	.	S	Bend	trans	81.7	5.5	-175.6	0	0	0	0	0	114	Q566	Q566-G569 PolarHBondContact O-N 3.36Å
570	L	72.3	Confident	80.2	Confident	40 Å²	40	44.4 Å²	44.4	21%	0.209	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	124.6	169.4	-165	87.1	0	0	0	109.6	H447 V449 Q566 D568 M572	H447-L570 HydrophobicContact CB-CD1 4.2Å; V449-L570 HydrophobicContact CG2-CD1 3.92Å; V449-L570 HydrophobicContact CG2-CD2 4.32Å; V449-L570 HydrophobicContact CG2-CG 4.32Å; Q566-L570 HydrophobicContact CB-CB 4.34Å; Q566-L570 WeakPolarHBondContact CB-O 3.49Å; Q566-L570 PolarHBondContact N-O 2.96Å; D568-L570 VanDerWaalsContact C-N 3.29Å; D568-L570 WeakPolarHBondContact OD1-CB 3.43Å; D568-L570 PolarHBondContact OD1-N 3.35Å; L570-M572 HydrophobicContact CD2-CG 4.33Å; L570-M572 HydrophobicContact CD2-SD 3.9Å
571	E	78.7	Confident	79.9	Confident	27 Å²	27	47 Å²	47	13%	0.126	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	117.5	171	-168.7	177.8	-131.7	0	0	109.6	P445 H447 V448 V449 K563	P445-E571 HydrophobicContact CB-CB 4.2Å; P445-E571 HydrophobicContact CG-CB 4.22Å; P445-E571 WeakPolarHBondContact CG-OE2 3.39Å; H447-E571 PolarHBondContact O-N 3.07Å; V448-E571 WeakPolarHBondContact CA-O 3.2Å; V449-E571 PolarHBondContact N-O 3.21Å; K563-E571 HydrophobicContact CB-CG 4.32Å; K563-E571 WeakPolarHBondContact CD-OE1 3.37Å
572	M	81	Confident	79.5	Confident	30 Å²	30	51 Å²	51	15%	0.148	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	121.1	173.3	-66.5	-72.1	-82.7	0	0	109	V449 V451 K563 K564 Q566 L570 Y574	V449-M572 HydrophobicContact CB-SD 3.68Å; V449-M572 HydrophobicContact CG1-CE 4.42Å; V449-M572 HydrophobicContact CG1-SD 3.87Å; V449-M572 HydrophobicContact CG2-SD 4.46Å; V451-M572 HydrophobicContact CG2-CE 4.17Å; K563-M572 CarbonylContact C-O 3.58Å; K563-M572 WeakPolarHBondContact CA-O 3.4Å; K564-M572 HydrophobicContact CB-CB 4.33Å; K564-M572 PolarHBondContact N-O 3.24Å; K564-M572 PolarHBondContact O-N 2.92Å; Q566-M572 HydrophobicContact CG-CG 4.24Å; L570-M572 HydrophobicContact CD2-CG 4.33Å; L570-M572 HydrophobicContact CD2-SD 3.9Å; M572-Y574 HydrophobicContact CB-CE2 3.78Å; M572-Y574 WeakPolarHBondContact CE-OH 3.46Å
573	E	86.9	Confident	78.9	Confident	25 Å²	25	57.3 Å²	57.3	12%	0.117	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	114.6	179.3	-174.4	-163.8	-168.3	0	0	109.5	V448 V449 T450 V451 R559 L561 K563	V448-E573 HydrophobicContact CG1-CB 3.91Å; V449-E573 PolarHBondContact O-N 3.46Å; T450-E573 CarbonylContact C-O 3.52Å; T450-E573 VanDerWaalsContact CA-O 3.26Å; T450-E573 WeakPolarHBondContact CA-O 3.44Å; T450-E573 WeakPolarHBondContact CG2-OE2 3.41Å; T450-E573 PolarHBondContact OG1-OE2 2.87Å; V451-E573 PolarHBondContact N-O 3.17Å; R559-E573 IonicContact NH2-OE1 3.38Å; L561-E573 HydrophobicContact CB-CG 4.43Å; L561-E573 WeakPolarHBondContact CD1-OE1 3.44Å; L561-E573 HydrophobicContact CD2-CG 4.27Å; L561-E573 WeakPolarHBondContact CD2-OE1 3.35Å; K563-E573 HydrophobicContact CG-CG 4.4Å
574	Y	87	Confident	78.5	Confident	24 Å²	24	58.4 Å²	58.4	9%	0.094	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	116.3	176	-55.5	-88.3	0	0	0	109.7	V451 L562 K564 M572 S576 F594	V451-Y574 HydrophobicContact CB-CD1 3.63Å; V451-Y574 HydrophobicContact CB-CE1 3.86Å; V451-Y574 HydrophobicContact CG1-CD1 3.96Å; V451-Y574 HydrophobicContact CG1-CE1 4.15Å; V451-Y574 HydrophobicContact CG2-CD1 4.28Å; V451-Y574 HydrophobicContact CG2-CE1 4.01Å; V451-Y574 WeakPolarHBondContact O-CA 3.34Å; L562-Y574 PolarHBondContact N-O 3.34Å; L562-Y574 PolarHBondContact O-N 3.21Å; K564-Y574 HydrophobicContact CB-CE2 4.41Å; M572-Y574 HydrophobicContact CB-CE2 3.78Å; M572-Y574 WeakPolarHBondContact CE-OH 3.46Å; Y574-S576 PolarHBondContact O-N 3.07Å; Y574-F594 HydrophobicContact CD1-CB 3.8Å; Y574-F594 AromaticContact CD1-CD1 3.93Å; Y574-F594 HydrophobicContact CD1-CD1 3.93Å; Y574-F594 AromaticContact CD1-CD2 3.57Å; Y574-F594 HydrophobicContact CD1-CD2 3.57Å; Y574-F594 HydrophobicContact CD1-CE1 4.39Å; Y574-F594 HydrophobicContact CD1-CE2 4.08Å; Y574-F594 AromaticContact CD1-CG 3.47Å; Y574-F594 HydrophobicContact CD1-CG 3.47Å; Y574-F594 VanDerWaalsContact CD1-CG 3.47Å; Y574-F594 HydrophobicContact CD1-CZ 4.44Å; Y574-F594 HydrophobicContact CD2-CD1 4.5Å; Y574-F594 HydrophobicContact CD2-CD2 4.01Å; Y574-F594 HydrophobicContact CD2-CE1 4.16Å; Y574-F594 AromaticContact CD2-CE2 3.63Å; Y574-F594 HydrophobicContact CD2-CE2 3.63Å; Y574-F594 HydrophobicContact CD2-CG 4.42Å; Y574-F594 AromaticContact CD2-CZ 3.69Å; Y574-F594 HydrophobicContact CD2-CZ 3.69Å; Y574-F594 HydrophobicContact CE1-CB 3.88Å; Y574-F594 HydrophobicContact CE1-CD1 4.47Å; Y574-F594 AromaticContact CE1-CD2 3.27Å; Y574-F594 HydrophobicContact CE1-CD2 3.27Å; Y574-F594 AromaticContact CE1-CE2 3.88Å; Y574-F594 HydrophobicContact CE1-CE2 3.88Å; Y574-F594 AromaticContact CE1-CG 3.62Å; Y574-F594 HydrophobicContact CE1-CG 3.62Å; Y574-F594 AromaticContact CE2-CD2 3.74Å; Y574-F594 HydrophobicContact CE2-CD2 3.74Å; Y574-F594 AromaticContact CE2-CE2 3.39Å; Y574-F594 HydrophobicContact CE2-CE2 3.39Å; Y574-F594 AromaticContact CE2-CZ 3.93Å; Y574-F594 HydrophobicContact CE2-CZ 3.93Å; Y574-F594 AromaticContact CG-CD1 3.95Å; Y574-F594 HydrophobicContact CG-CD1 3.95Å; Y574-F594 AromaticContact CG-CD2 3.93Å; Y574-F594 HydrophobicContact CG-CD2 3.93Å; Y574-F594 AromaticContact CG-CE1 3.98Å; Y574-F594 HydrophobicContact CG-CE1 3.98Å; Y574-F594 AromaticContact CG-CE2 3.97Å; Y574-F594 HydrophobicContact CG-CE2 3.97Å; Y574-F594 AromaticContact CG-CG 3.91Å; Y574-F594 HydrophobicContact CG-CG 3.91Å; Y574-F594 AromaticContact CG-CZ 3.97Å; Y574-F594 HydrophobicContact CG-CZ 3.97Å; Y574-F594 AromaticContact CZ-CD2 3.36Å; Y574-F594 AromaticContact CZ-CE2 3.52Å
575	I	87.8	Confident	78.6	Confident	16 Å²	16	57.4 Å²	57.4	8%	0.082	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	119.9	173.3	-60.5	173.6	0	0	0	108.4	T450 V451 A453 R559 L561 Y577	T450-I575 HydrophobicContact CG2-CD1 3.46Å; T450-I575 VanDerWaalsContact CG2-CD1 3.46Å; T450-I575 HydrophobicContact CG2-CG1 3.65Å; V451-I575 PolarHBondContact O-N 3.4Å; A453-I575 VanDerWaalsContact CB-O 3.32Å; A453-I575 WeakPolarHBondContact CB-O 3.48Å; A453-I575 PolarHBondContact N-O 2.84Å; A453-I575 VanDerWaalsContact N-O 3.09Å; R559-I575 HydrophobicContact CG-CG2 3.9Å; L561-I575 HydrophobicContact CD2-CG1 4.02Å; I575-Y577 HydrophobicContact CG2-CE2 4.12Å
576	S	88.2	Confident	79.4	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	161.7	174.7	73.3	0	0	0	0	111.5	R559 V560 Y574 R589	R559-S576 WeakPolarHBondContact CA-O 3.49Å; V560-S576 WeakPolarHBondContact CB-OG 3.22Å; V560-S576 PolarHBondContact N-O 3Å; V560-S576 WeakPolarHBondContact O-CA 3.26Å; V560-S576 PolarHBondContact O-N 2.86Å; V560-S576 PolarHBondContact O-OG 3.44Å; Y574-S576 PolarHBondContact O-N 3.07Å; S576-R589 WeakPolarHBondContact CA-O 3.38Å; S576-R589 WeakPolarHBondContact CB-O 3.35Å
577	Y	86	Confident	80.3	Confident	46 Å²	46	48.2 Å²	48.2	18%	0.18	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	135.8	177.8	-61.5	-85.2	0	0	0	110.5	A453 K455 D558 R559 I575 T579 R589	A453-Y577 HydrophobicContact CB-CD2 4.32Å; A453-Y577 HydrophobicContact CB-CE2 4.42Å; K455-Y577 VanDerWaalsContact CE-OH 3.24Å; K455-Y577 WeakPolarHBondContact CE-OH 3.27Å; K455-Y577 HydrophobicContact CG-CE2 4.14Å; D558-Y577 CarbonylContact O-C 3.47Å; D558-Y577 WeakPolarHBondContact O-CA 3.47Å; R559-Y577 HydrophobicContact CB-CD1 4.44Å; R559-Y577 HydrophobicContact CB-CE1 4.34Å; I575-Y577 HydrophobicContact CG2-CE2 4.12Å; Y577-T579 PolarHBondContact O-N 3.44Å; Y577-R589 PolarHBondContact N-O 3.48Å; Y577-R589 PolarHBondContact O-N 2.86Å
578	V	85.6	Confident	81.8	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	128.9	172.4	180	0	0	0	0	109.2	G557 D558 V560 I581 V586 L588	G557-V578 WeakPolarHBondContact CA-O 3.5Å; G557-V578 PolarHBondContact N-O 3.44Å; D558-V578 HydrophobicContact CB-CG2 4.25Å; D558-V578 PolarHBondContact O-N 3.25Å; V560-V578 HydrophobicContact CG2-CG2 3.75Å; V578-I581 HydrophobicContact CG1-CD1 3.93Å; V578-I581 HydrophobicContact CG1-CG1 3.64Å; V578-V586 HydrophobicContact CB-CG1 4.26Å; V578-V586 HydrophobicContact CG1-CG1 3.73Å; V578-V586 HydrophobicContact CG2-CG1 3.82Å; V578-L588 HydrophobicContact CG2-CD2 4.14Å
579	T	81.5	Confident	83	Confident	32 Å²	32	38.9 Å²	38.9	20%	0.196	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	-39	179.7	48.1	0	0	0	0	113	Y539 I556 Y577 S587 R589	Y539-T579 HydrophobicContact CD1-CG2 4.38Å; Y539-T579 HydrophobicContact CE1-CG2 3.96Å; I556-T579 WeakPolarHBondContact CG2-O 3.46Å; Y577-T579 PolarHBondContact O-N 3.44Å; T579-S587 PolarHBondContact N-O 2.88Å; T579-S587 WeakPolarHBondContact OG1-CB 3.5Å; T579-S587 PolarHBondContact OG1-O 3.48Å; T579-R589 HydrophobicContact CG2-CB 3.65Å
580	E	83.6	Confident	84.1	Confident	85 Å²	85	37.7 Å²	37.7	40%	0.397	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	147.8	178.9	-59.1	170.6	177	0	0	108	S587	E580-S587 PolarHBondContact O-N 3.18Å
581	I	82.9	Confident	84.8	Confident	54 Å²	54	37.3 Å²	37.3	28%	0.277	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	116.9	176.4	-63.1	171.2	0	0	0	106.7	L547 L554 V578	L547-I581 HydrophobicContact CD2-CG2 3.73Å; L547-I581 HydrophobicContact CG-CG2 4.15Å; L554-I581 HydrophobicContact CB-CD1 4.01Å; L554-I581 WeakPolarHBondContact O-CD1 3.4Å; V578-I581 HydrophobicContact CG1-CD1 3.93Å; V578-I581 HydrophobicContact CG1-CG1 3.64Å
582	N	80	Confident	85.1	Confident	96 Å²	96	38.9 Å²	38.9	51%	0.513	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	106.6	-180	-65.6	-27.2	0	0	0	108.9	E584 N585	N582-E584 PolarHBondContact O-N 2.95Å; N582-N585 PolarHBondContact N-O 3.11Å; N582-N585 WeakPolarHBondContact O-CA 3.46Å; N582-N585 WeakPolarHBondContact O-CB 3.22Å; N582-N585 PolarHBondContact O-N 2.79Å
583	D	77.3	Confident	85.3	Confident	132 Å²	132	43.5 Å²	43.5	71%	0.706	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	-106.2	-176	-57.3	-39.3	0	0	0	112.4	A548	A548-D583 PolarHBondContact N-O 2.98Å
584	E	78.5	Confident	85.3	Confident	68 Å²	68	42.6 Å²	42.6	32%	0.318	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	5.1	178	-59.3	-164.8	134.2	0	0	113.6	E543 V544 G546 N582	E543-E584 CarbonylContact C-O 3.59Å; E543-E584 WeakPolarHBondContact CA-O 3.49Å; V544-E584 PolarHBondContact N-O 2.87Å; G546-E584 PolarHBondContact N-OE1 2.74Å; N582-E584 PolarHBondContact O-N 2.95Å
585	N	85.7	Confident	85.3	Confident	43 Å²	43	42.2 Å²	42.2	23%	0.23	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.7	-176.1	-71.9	-72.2	0	0	0	112.5	R534 L542 N582	R534-N585 VanDerWaalsContact NH2-CG 3.29Å; R534-N585 PolarHBondContact NH2-ND2 3.02Å; R534-N585 PolarHBondContact NH2-OD1 2.81Å; L542-N585 WeakPolarHBondContact O-CA 3.39Å; N582-N585 PolarHBondContact N-O 3.11Å; N582-N585 WeakPolarHBondContact O-CA 3.46Å; N582-N585 WeakPolarHBondContact O-CB 3.22Å; N582-N585 PolarHBondContact O-N 2.79Å
586	V	89.4	Confident	85.2	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	121.3	175.4	-172.1	0	0	0	0	109.6	H541 L542 V544 L547 L554 V578 L588	H541-V586 CarbonylContact C-O 3.54Å; H541-V586 WeakPolarHBondContact CA-O 3.41Å; L542-V586 HydrophobicContact CB-CB 4.43Å; L542-V586 PolarHBondContact N-O 3.02Å; L542-V586 PolarHBondContact O-N 2.88Å; V544-V586 HydrophobicContact CB-CG2 4.45Å; V544-V586 HydrophobicContact CG2-CG2 3.77Å; L547-V586 HydrophobicContact CD2-CG2 3.27Å; L554-V586 HydrophobicContact CD1-CG2 4.08Å; V578-V586 HydrophobicContact CB-CG1 4.26Å; V578-V586 HydrophobicContact CG1-CG1 3.73Å; V578-V586 HydrophobicContact CG2-CG1 3.82Å; V586-L588 HydrophobicContact CG1-CD2 3.66Å; V586-L588 HydrophobicContact CG1-CG 4.29Å; V586-L588 PolarHBondContact O-N 2.74Å
587	S	90.4	Very high	85.1	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	113.7	169.9	-61.9	0	0	0	0	109.7	H541 T579 E580	H541-S587 PolarHBondContact CE1-OG 2.67Å; H541-S587 PolarHBondContact ND1-OG 2.79Å; T579-S587 PolarHBondContact N-O 2.88Å; T579-S587 WeakPolarHBondContact OG1-CB 3.5Å; T579-S587 PolarHBondContact OG1-O 3.48Å; E580-S587 PolarHBondContact O-N 3.18Å
588	L	90.3	Very high	85.1	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.1	179.2	-59.2	178.4	0	0	0	110.9	L533 Y539 L540 L542 V560 L562 V578 V586 V590	L533-L588 HydrophobicContact CD2-CD1 4.3Å; Y539-L588 WeakPolarHBondContact CA-O 3.44Å; L540-L588 PolarHBondContact N-O 3.2Å; L540-L588 WeakPolarHBondContact O-CA 3.38Å; L540-L588 WeakPolarHBondContact O-CB 3.47Å; L540-L588 PolarHBondContact O-N 3.49Å; L542-L588 HydrophobicContact CB-CD1 4.01Å; L542-L588 HydrophobicContact CB-CG 4.47Å; L542-L588 HydrophobicContact CD2-CD1 4.27Å; V560-L588 HydrophobicContact CB-CD2 4.03Å; V560-L588 HydrophobicContact CG1-CD1 4.31Å; V560-L588 HydrophobicContact CG1-CD2 4.4Å; V560-L588 HydrophobicContact CG2-CD2 3.91Å; L562-L588 HydrophobicContact CD1-CD1 4.43Å; L562-L588 HydrophobicContact CD2-CD1 4.01Å; V578-L588 HydrophobicContact CG2-CD2 4.14Å; V586-L588 HydrophobicContact CG1-CD2 3.66Å; V586-L588 HydrophobicContact CG1-CG 4.29Å; V586-L588 PolarHBondContact O-N 2.74Å; L588-V590 HydrophobicContact CB-CG1 4.45Å
589	R	86.7	Confident	85	Confident	61 Å²	61	56.7 Å²	56.7	23%	0.23	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	121.1	166.2	-174.2	-176.3	-174.4	94.1	11.6	109.4	Y539 S576 Y577 T579	Y539-R589 HydrophobicContact CD1-CB 4.29Å; Y539-R589 HydrophobicContact CE1-CB 4.46Å; S576-R589 WeakPolarHBondContact CA-O 3.38Å; S576-R589 WeakPolarHBondContact CB-O 3.35Å; Y577-R589 PolarHBondContact N-O 3.48Å; Y577-R589 PolarHBondContact O-N 2.86Å; T579-R589 HydrophobicContact CG2-CB 3.65Å
590	V	86.4	Confident	85	Confident	7 Å²	7	56.9 Å²	56.9	4%	0.042	31%	0.307	C	S	.	.			trans	-116	173.4	178.6	-55.8	0	0	0	0	111.5	L540 L562 L588 S592 F594 H595	L540-V590 HydrophobicContact CD1-CG1 3.94Å; L540-V590 HydrophobicContact CD1-CG2 3.9Å; L540-V590 HydrophobicContact CG-CG1 4.3Å; L540-V590 HydrophobicContact CG-CG2 4Å; L562-V590 HydrophobicContact CD1-CG1 3.81Å; L588-V590 HydrophobicContact CB-CG1 4.45Å; V590-S592 PolarHBondContact O-N 2.77Å; V590-F594 HydrophobicContact CB-CD1 3.85Å; V590-F594 HydrophobicContact CB-CE1 4.48Å; V590-F594 HydrophobicContact CG1-CD1 4.25Å; V590-F594 HydrophobicContact CG1-CE1 4.39Å; V590-F594 HydrophobicContact CG2-CD1 3.85Å; V590-H595 HydrophobicContact CG2-CB 3.62Å
591	N	88.1	Confident	85.1	Confident	32 Å²	32	54.8 Å²	54.8	17%	0.171	30%	0.297	C	S	.	.			trans	-58.9	135.8	172.2	-177	-76.8	0	0	0	110.2	V451 S452 N593 F594 H595	V451-N591 HydrophobicContact CG1-CB 3.98Å; S452-N591 PolarHBondContact O-ND2 3.33Å; N591-N593 VanDerWaalsContact C-N 3.29Å; N591-N593 PolarHBondContact O-N 2.93Å; N591-N593 WeakPolarHBondContact OD1-CB 3.42Å; N591-N593 PolarHBondContact OD1-N 2.85Å; N591-F594 HydrophobicContact CB-CB 4.16Å; N591-F594 WeakPolarHBondContact O-CB 3.39Å; N591-F594 PolarHBondContact O-N 3.05Å; N591-H595 PolarHBondContact O-N 2.93Å
592	S	84.1	Confident	85.3	Confident	60 Å²	60	56 Å²	56	42%	0.42	31%	0.309	S	S	.	.	H	α-helix	trans	-57.6	-40.8	-176	-60.2	0	0	0	0	112.5	V590 F594 H595 H596	V590-S592 PolarHBondContact O-N 2.77Å; S592-F594 VanDerWaalsContact C-N 3.32Å; S592-F594 PolarHBondContact O-N 2.82Å; S592-H595 PolarHBondContact O-N 2.97Å; S592-H596 PolarHBondContact O-N 3.22Å; S592-H596 PolarHBondContact O-ND1 2.89Å
593	N	84.9	Confident	85.7	Confident	128 Å²	128	51.5 Å²	51.5	68%	0.684	28%	0.284	S	S	*	.	H	α-helix	trans	-63.5	-42.6	178.1	-64.8	-13.4	0	0	0	110.8	N591 H596 S597	N591-N593 VanDerWaalsContact C-N 3.29Å; N591-N593 PolarHBondContact O-N 2.93Å; N591-N593 WeakPolarHBondContact OD1-CB 3.42Å; N591-N593 PolarHBondContact OD1-N 2.85Å; N593-H596 PolarHBondContact O-N 3.34Å; N593-S597 WeakPolarHBondContact O-CB 3.19Å; N593-S597 PolarHBondContact O-N 3.31Å; N593-S597 PolarHBondContact O-OG 2.85Å; N593-S597 VanDerWaalsContact O-OG 3.06Å
594	F	86.7	Confident	86.3	Confident	5 Å²	5	47.9 Å²	47.9	2%	0.022	27%	0.265	C	S	.	.	H	α-helix	trans	-64.9	-43.2	176.4	-179.8	-115.2	0	0	0	112.5	L540 L562 Y574 V590 N591 S592 H596 S597 Y598 L603	L540-F594 HydrophobicContact CD1-CD1 4.41Å; L540-F594 HydrophobicContact CD1-CE1 3.96Å; L562-F594 HydrophobicContact CD1-CE1 3.96Å; Y574-F594 HydrophobicContact CD1-CB 3.8Å; Y574-F594 AromaticContact CD1-CD1 3.93Å; Y574-F594 HydrophobicContact CD1-CD1 3.93Å; Y574-F594 AromaticContact CD1-CD2 3.57Å; Y574-F594 HydrophobicContact CD1-CD2 3.57Å; Y574-F594 HydrophobicContact CD1-CE1 4.39Å; Y574-F594 HydrophobicContact CD1-CE2 4.08Å; Y574-F594 AromaticContact CD1-CG 3.47Å; Y574-F594 HydrophobicContact CD1-CG 3.47Å; Y574-F594 VanDerWaalsContact CD1-CG 3.47Å; Y574-F594 HydrophobicContact CD1-CZ 4.44Å; Y574-F594 HydrophobicContact CD2-CD1 4.5Å; Y574-F594 HydrophobicContact CD2-CD2 4.01Å; Y574-F594 HydrophobicContact CD2-CE1 4.16Å; Y574-F594 AromaticContact CD2-CE2 3.63Å; Y574-F594 HydrophobicContact CD2-CE2 3.63Å; Y574-F594 HydrophobicContact CD2-CG 4.42Å; Y574-F594 AromaticContact CD2-CZ 3.69Å; Y574-F594 HydrophobicContact CD2-CZ 3.69Å; Y574-F594 HydrophobicContact CE1-CB 3.88Å; Y574-F594 HydrophobicContact CE1-CD1 4.47Å; Y574-F594 AromaticContact CE1-CD2 3.27Å; Y574-F594 HydrophobicContact CE1-CD2 3.27Å; Y574-F594 AromaticContact CE1-CE2 3.88Å; Y574-F594 HydrophobicContact CE1-CE2 3.88Å; Y574-F594 AromaticContact CE1-CG 3.62Å; Y574-F594 HydrophobicContact CE1-CG 3.62Å; Y574-F594 AromaticContact CE2-CD2 3.74Å; Y574-F594 HydrophobicContact CE2-CD2 3.74Å; Y574-F594 AromaticContact CE2-CE2 3.39Å; Y574-F594 HydrophobicContact CE2-CE2 3.39Å; Y574-F594 AromaticContact CE2-CZ 3.93Å; Y574-F594 HydrophobicContact CE2-CZ 3.93Å; Y574-F594 AromaticContact CG-CD1 3.95Å; Y574-F594 HydrophobicContact CG-CD1 3.95Å; Y574-F594 AromaticContact CG-CD2 3.93Å; Y574-F594 HydrophobicContact CG-CD2 3.93Å; Y574-F594 AromaticContact CG-CE1 3.98Å; Y574-F594 HydrophobicContact CG-CE1 3.98Å; Y574-F594 AromaticContact CG-CE2 3.97Å; Y574-F594 HydrophobicContact CG-CE2 3.97Å; Y574-F594 AromaticContact CG-CG 3.91Å; Y574-F594 HydrophobicContact CG-CG 3.91Å; Y574-F594 AromaticContact CG-CZ 3.97Å; Y574-F594 HydrophobicContact CG-CZ 3.97Å; Y574-F594 AromaticContact CZ-CD2 3.36Å; Y574-F594 AromaticContact CZ-CE2 3.52Å; V590-F594 HydrophobicContact CB-CD1 3.85Å; V590-F594 HydrophobicContact CB-CE1 4.48Å; V590-F594 HydrophobicContact CG1-CD1 4.25Å; V590-F594 HydrophobicContact CG1-CE1 4.39Å; V590-F594 HydrophobicContact CG2-CD1 3.85Å; N591-F594 HydrophobicContact CB-CB 4.16Å; N591-F594 WeakPolarHBondContact O-CB 3.39Å; N591-F594 PolarHBondContact O-N 3.05Å; S592-F594 VanDerWaalsContact C-N 3.32Å; S592-F594 PolarHBondContact O-N 2.82Å; F594-H596 VanDerWaalsContact C-N 3.32Å; F594-H596 PolarHBondContact O-N 2.92Å; F594-S597 WeakPolarHBondContact CA-OG 3.5Å; F594-S597 PolarHBondContact O-N 3.08Å; F594-S597 PolarHBondContact O-OG 3.41Å; F594-Y598 HydrophobicContact CE2-CD2 4.33Å; F594-Y598 HydrophobicContact CZ-CD2 4.03Å; F594-Y598 VanDerWaalsContact O-CB 3.27Å; F594-Y598 WeakPolarHBondContact O-CB 3.41Å; F594-Y598 PolarHBondContact O-N 3.34Å; F594-L603 HydrophobicContact CE1-CD1 4.4Å; F594-L603 HydrophobicContact CZ-CD1 3.73Å
595	H	88.3	Confident	86.7	Confident	16 Å²	16	44.7 Å²	44.7	7%	0.074	25%	0.25	C	S	.	.	H	α-helix	trans	-56.7	-45.8	174.8	179	-92.5	0	0	0	111.6	K535 G536 G537 Y539 V590 N591 S592	K535-H595 WeakPolarHBondContact CE-O 3.35Å; K535-H595 PolarHBondContact NZ-O 3.01Å; G536-H595 PolarHBondContact O-CE1 3.42Å; G536-H595 PolarHBondContact O-NE2 2.92Å; G537-H595 PolarHBondContact O-CE1 3.44Å; Y539-H595 PolarHBondContact O-NE2 2.85Å; V590-H595 HydrophobicContact CG2-CB 3.62Å; N591-H595 PolarHBondContact O-N 2.93Å; S592-H595 PolarHBondContact O-N 2.97Å
596	H	84.8	Confident	86.8	Confident	138 Å²	138	45.1 Å²	45.1	64%	0.639	25%	0.251	S	S	*	.	H	α-helix	trans	-66	-44.5	178.8	-72.6	81.3	0	0	0	111.5	K535 S592 N593 F594	K535-H596 PolarHBondContact NZ-O 3.19Å; S592-H596 PolarHBondContact O-N 3.22Å; S592-H596 PolarHBondContact O-ND1 2.89Å; N593-H596 PolarHBondContact O-N 3.34Å; F594-H596 VanDerWaalsContact C-N 3.32Å; F594-H596 PolarHBondContact O-N 2.92Å
597	S	85.6	Confident	86.7	Confident	71 Å²	71	45.3 Å²	45.3	50%	0.497	25%	0.252	S	S	.	.	H	α-helix	trans	-78.4	-15.2	-176.8	67	0	0	0	0	114.8	N593 F594 L599	N593-S597 WeakPolarHBondContact O-CB 3.19Å; N593-S597 PolarHBondContact O-N 3.31Å; N593-S597 PolarHBondContact O-OG 2.85Å; N593-S597 VanDerWaalsContact O-OG 3.06Å; F594-S597 WeakPolarHBondContact CA-OG 3.5Å; F594-S597 PolarHBondContact O-N 3.08Å; F594-S597 PolarHBondContact O-OG 3.41Å; S597-L599 PolarHBondContact O-N 2.66Å
598	Y	86.8	Confident	86.4	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.008	26%	0.261	C	S	.	.			trans	-69.8	124.8	179	-175.7	-107	0	0	0	110.5	L533 K535 L540 F594 E601 L603	L533-Y598 HydrophobicContact CB-CE1 3.65Å; L533-Y598 PolarHBondContact N-OH 3.18Å; L533-Y598 WeakPolarHBondContact O-CE1 3.25Å; K535-Y598 PolarHBondContact NZ-O 3.42Å; L540-Y598 HydrophobicContact CD1-CD1 4.05Å; L540-Y598 HydrophobicContact CD1-CG 4.18Å; L540-Y598 HydrophobicContact CD2-CD1 3.83Å; L540-Y598 HydrophobicContact CD2-CE1 4.45Å; F594-Y598 HydrophobicContact CE2-CD2 4.33Å; F594-Y598 HydrophobicContact CZ-CD2 4.03Å; F594-Y598 VanDerWaalsContact O-CB 3.27Å; F594-Y598 WeakPolarHBondContact O-CB 3.41Å; F594-Y598 PolarHBondContact O-N 3.34Å; Y598-E601 VanDerWaalsContact CD2-CD 3.42Å; Y598-E601 HydrophobicContact CD2-CG 4.18Å; Y598-E601 VanDerWaalsContact CD2-OE2 3.22Å; Y598-E601 WeakPolarHBondContact CD2-OE2 3.27Å; Y598-E601 HydrophobicContact CE2-CG 3.85Å; Y598-E601 WeakPolarHBondContact CE2-O 3.46Å; Y598-E601 WeakPolarHBondContact CE2-OE2 3.08Å; Y598-E601 PolarHBondContact OH-O 3.49Å; Y598-L603 HydrophobicContact CD2-CD1 4.09Å; Y598-L603 HydrophobicContact CE2-CD1 3.5Å; Y598-L603 HydrophobicContact CE2-CG 4.02Å
599	L	83.6	Confident	86.1	Confident	158 Å²	158	50.1 Å²	50.1	83%	0.827	27%	0.274	S	S	*	.			trans	-116	12.8	-174	-66.2	176	0	0	0	112.6	S597 E601	S597-L599 PolarHBondContact O-N 2.66Å; L599-E601 PolarHBondContact N-OE2 2.6Å
600	G	81.5	Confident	85.9	Confident	35 Å²	35	51.4 Å²	51.4	36%	0.361	29%	0.285	S	S	.	.	S	Bend	trans	89.5	20.6	-177.3	0	0	0	0	0	113.3	L532	L532-G600 WeakPolarHBondContact CD2-O 3.29Å
601	E	86.3	Confident	86	Confident	41 Å²	41	54.1 Å²	54.1	19%	0.192	29%	0.294	C	S	.	.			trans	-65.3	149.1	171.2	68.5	-94.2	-141.1	0	0	111.7	K564 Y598 L599 L603	K564-E601 HydrophobicContact CD-CG 4.44Å; K564-E601 IonicContact NZ-OE1 2.75Å; K564-E601 PolarHBondContact NZ-OE1 3.19Å; Y598-E601 VanDerWaalsContact CD2-CD 3.42Å; Y598-E601 HydrophobicContact CD2-CG 4.18Å; Y598-E601 VanDerWaalsContact CD2-OE2 3.22Å; Y598-E601 WeakPolarHBondContact CD2-OE2 3.27Å; Y598-E601 HydrophobicContact CE2-CG 3.85Å; Y598-E601 WeakPolarHBondContact CE2-O 3.46Å; Y598-E601 WeakPolarHBondContact CE2-OE2 3.08Å; Y598-E601 PolarHBondContact OH-O 3.49Å; L599-E601 PolarHBondContact N-OE2 2.6Å; E601-L603 HydrophobicContact CG-CD2 4.39Å
602	P	87.1	Confident	86	Confident	81 Å²	81	55.6 Å²	55.6	53%	0.526	30%	0.302	S	S	.	.			trans	-67.5	139.6	176.2	27.5	-34.1	0	0	0	111.1	A531 L532	A531-P602 WeakPolarHBondContact O-CA 3.45Å; L532-P602 HydrophobicContact CD2-CB 4.26Å
603	L	88	Confident	86.3	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	145.3	178.9	-62.8	169.5	0	0	0	110.7	G530 A531 L533 L562 K564 F594 Y598 E601	G530-L603 CarbonylContact C-O 3.6Å; G530-L603 PolarHBondContact N-O 2.79Å; A531-L603 WeakPolarHBondContact CB-O 3.39Å; A531-L603 PolarHBondContact N-O 2.93Å; A531-L603 PolarHBondContact O-N 3.16Å; L533-L603 HydrophobicContact CD1-CD1 3.63Å; L562-L603 HydrophobicContact CB-CD1 4.28Å; K564-L603 HydrophobicContact CB-CD2 3.66Å; K564-L603 HydrophobicContact CD-CD2 4.24Å; K564-L603 HydrophobicContact CG-CD2 4.1Å; F594-L603 HydrophobicContact CE1-CD1 4.4Å; F594-L603 HydrophobicContact CZ-CD1 3.73Å; Y598-L603 HydrophobicContact CD2-CD1 4.09Å; Y598-L603 HydrophobicContact CE2-CD1 3.5Å; Y598-L603 HydrophobicContact CE2-CG 4.02Å; E601-L603 HydrophobicContact CG-CD2 4.39Å
604	D	88.3	Confident	86.7	Confident	55 Å²	55	49.8 Å²	49.8	29%	0.294	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	130.8	170.4	-66.2	-22.4	0	0	0	109.3	I528 S529 G530 L562 K563	I528-D604 CarbonylContact O-C 3.46Å; I528-D604 WeakPolarHBondContact O-CA 3.43Å; S529-D604 WeakPolarHBondContact CA-OD1 3.42Å; G530-D604 PolarHBondContact N-OD1 3.29Å; L562-D604 CarbonylContact C-O 3.47Å; L562-D604 WeakPolarHBondContact CA-O 3.45Å; K563-D604 HydrophobicContact CB-CB 4.21Å; K563-D604 PolarHBondContact N-O 3.4Å; K563-D604 PolarHBondContact O-N 3.03Å
605	V	88.2	Confident	87	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.012	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.9	-176.8	-174.2	0	0	0	0	109.6	S527 I528 A531 L542 V560 L561 L562 F607	S527-V605 CarbonylContact C-O 3.59Å; S527-V605 VanDerWaalsContact CA-O 3.31Å; S527-V605 WeakPolarHBondContact CA-O 3.47Å; S527-V605 WeakPolarHBondContact CB-O 3.41Å; I528-V605 HydrophobicContact CB-CB 4.17Å; I528-V605 HydrophobicContact CB-CG2 4.49Å; I528-V605 PolarHBondContact N-O 3.12Å; I528-V605 PolarHBondContact O-N 2.96Å; A531-V605 HydrophobicContact CB-CG2 3.58Å; L542-V605 HydrophobicContact CD1-CG2 4.07Å; L542-V605 HydrophobicContact CD2-CB 4.44Å; L542-V605 HydrophobicContact CD2-CG1 3.72Å; L542-V605 HydrophobicContact CD2-CG2 4.19Å; V560-V605 HydrophobicContact CG1-CG1 3.43Å; V560-V605 VanDerWaalsContact CG1-CG1 3.43Å; L561-V605 WeakPolarHBondContact O-CA 3.21Å; L562-V605 HydrophobicContact CD2-CB 4.46Å; L562-V605 HydrophobicContact CD2-CG1 4.19Å; L562-V605 HydrophobicContact CD2-CG2 3.82Å; V605-F607 HydrophobicContact CG1-CE1 4.36Å; V605-F607 HydrophobicContact CG1-CE2 4.33Å; V605-F607 HydrophobicContact CG1-CZ 4.08Å
606	E	88.4	Confident	87.3	Confident	51 Å²	51	52.4 Å²	52.4	24%	0.238	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.4	173.8	-176.7	180	-178	0	0	110.6	L561 K563	L561-E606 HydrophobicContact CB-CB 4.2Å; L561-E606 HydrophobicContact CD1-CB 4.47Å; L561-E606 PolarHBondContact N-O 3.17Å; L561-E606 PolarHBondContact O-N 3.25Å; K563-E606 WeakPolarHBondContact CE-OE2 3.42Å; K563-E606 IonicContact NZ-OE2 3.61Å; K563-E606 PolarHBondContact NZ-OE2 3.12Å
607	F	87.3	Confident	87.9	Confident	5 Å²	5	46 Å²	46	2%	0.022	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	135.7	177.5	-60.4	-77.9	0	0	0	110.4	L523 F526 I528 L542 V544 P552 L554 V560 V605	L523-F607 HydrophobicContact CD2-CB 4.13Å; F526-F607 HydrophobicContact CB-CD2 4.16Å; F526-F607 HydrophobicContact CB-CE2 4.31Å; F526-F607 VanDerWaalsContact O-CE2 3.27Å; F526-F607 WeakPolarHBondContact O-CE2 3.2Å; I528-F607 HydrophobicContact CD1-CE2 4.45Å; I528-F607 HydrophobicContact CD1-CZ 4.46Å; I528-F607 HydrophobicContact CG1-CE2 4.46Å; L542-F607 HydrophobicContact CD2-CE1 4.37Å; L542-F607 HydrophobicContact CD2-CZ 4.05Å; V544-F607 HydrophobicContact CG1-CZ 4.16Å; V544-F607 HydrophobicContact CG2-CZ 3.91Å; P552-F607 HydrophobicContact CG-CD1 4.41Å; P552-F607 HydrophobicContact CG-CD2 4.02Å; P552-F607 HydrophobicContact CG-CE1 4.35Å; P552-F607 HydrophobicContact CG-CE2 3.95Å; P552-F607 HydrophobicContact CG-CG 4.25Å; P552-F607 HydrophobicContact CG-CZ 4.12Å; L554-F607 HydrophobicContact CD1-CD1 3.79Å; L554-F607 HydrophobicContact CD1-CE1 3.46Å; L554-F607 VanDerWaalsContact CD1-CE1 3.46Å; L554-F607 HydrophobicContact CD1-CZ 4.28Å; L554-F607 HydrophobicContact CD2-CB 4.37Å; L554-F607 HydrophobicContact CD2-CD1 3.51Å; L554-F607 HydrophobicContact CD2-CE1 4.12Å; L554-F607 HydrophobicContact CD2-CG 4.17Å; L554-F607 HydrophobicContact CG-CD1 4.25Å; L554-F607 HydrophobicContact CG-CE1 4.39Å; V560-F607 HydrophobicContact CG1-CD1 4.2Å; V560-F607 HydrophobicContact CG1-CE1 4.19Å; V560-F607 HydrophobicContact CG2-CD1 3.82Å; V560-F607 HydrophobicContact CG2-CE1 4.09Å; V605-F607 HydrophobicContact CG1-CE1 4.36Å; V605-F607 HydrophobicContact CG1-CE2 4.33Å; V605-F607 HydrophobicContact CG1-CZ 4.08Å
608	T	82.8	Confident	88.5	Confident	35 Å²	35	42.6 Å²	42.6	22%	0.215	22%	0.224	C	C	.	.			trans	-107.6	139.5	-178.7	65.8	0	0	0	0	112.5	R559 L561	R559-T608 WeakPolarHBondContact CB-OG1 3.26Å; R559-T608 HydrophobicContact CG-CG2 4.29Å; R559-T608 WeakPolarHBondContact CG-OG1 3.34Å; R559-T608 PolarHBondContact O-N 3.06Å; R559-T608 PolarHBondContact O-OG1 2.87Å; L561-T608 HydrophobicContact CD1-CG2 3.65Å; L561-T608 HydrophobicContact CD2-CG2 4.33Å; L561-T608 HydrophobicContact CG-CG2 3.71Å
609	Y	84.1	Confident	88.9	Confident	69 Å²	69	43.4 Å²	43.4	27%	0.271	23%	0.229	S	C	.	.			trans	-73.5	132.9	178.4	179.9	-117.4	0	0	0	112.4	E516 A519 L523 R611 I614	E516-Y609 HydrophobicContact CB-CE1 4.48Å; E516-Y609 HydrophobicContact CG-CD1 4.04Å; E516-Y609 HydrophobicContact CG-CE1 4.03Å; A519-Y609 HydrophobicContact CB-CD1 4.3Å; A519-Y609 HydrophobicContact CB-CD2 3.61Å; A519-Y609 HydrophobicContact CB-CE1 4.25Å; A519-Y609 HydrophobicContact CB-CE2 3.55Å; A519-Y609 HydrophobicContact CB-CG 4Å; L523-Y609 HydrophobicContact CD1-CD2 4.04Å; L523-Y609 HydrophobicContact CD1-CG 4.38Å; Y609-R611 HydrophobicContact CD1-CG 4.01Å; Y609-R611 HydrophobicContact CE1-CG 4.48Å; Y609-R611 PolarHBondContact O-N 2.93Å; Y609-I614 HydrophobicContact CE1-CD1 3.89Å; Y609-I614 VanDerWaalsContact OH-CD1 3.32Å; Y609-I614 WeakPolarHBondContact OH-CD1 3.49Å
610	N	82.6	Confident	89.5	Confident	87 Å²	87	35.9 Å²	35.9	47%	0.465	19%	0.19	S	C	.	.			trans	-81.3	100.5	176.2	-171.9	-17	0	0	0	111.8	L612	N610-L612 PolarHBondContact O-N 3.16Å; N610-L612 VanDerWaalsContact OD1-CB 3.24Å; N610-L612 WeakPolarHBondContact OD1-CB 3.46Å; N610-L612 PolarHBondContact OD1-N 3.49Å; N610-L612 VanDerWaalsContact OD1-N 3.11Å
611	R	88.6	Confident	90.1	Very high	64 Å²	64	34.4 Å²	34.4	24%	0.242	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	1.6	-176.4	-53.1	174.6	70.3	-125.3	-12.3	114.9	S471 F472 E516 Y609 T613 I614 R615	S471-R611 PolarHBondContact O-NH1 2.87Å; F472-R611 PolarHBondContact O-NH2 3.42Å; E516-R611 IonicContact OE1-CZ 3.82Å; E516-R611 VanDerWaalsContact OE1-CZ 3.23Å; E516-R611 IonicContact OE1-NE 2.87Å; E516-R611 PolarHBondContact OE1-NE 3.37Å; E516-R611 IonicContact OE1-NH2 3.9Å; E516-R611 PolarHBondContact OE1-NH2 3.44Å; E516-R611 IonicContact OE2-CZ 3.26Å; E516-R611 IonicContact OE2-NE 3.97Å; E516-R611 PolarHBondContact OE2-NE 3.31Å; E516-R611 IonicContact OE2-NH2 3.91Å; E516-R611 PolarHBondContact OE2-NH2 3.39Å; Y609-R611 HydrophobicContact CD1-CG 4.01Å; Y609-R611 HydrophobicContact CE1-CG 4.48Å; Y609-R611 PolarHBondContact O-N 2.93Å; R611-T613 PolarHBondContact O-N 3.28Å; R611-I614 PolarHBondContact O-N 3.17Å; R611-R615 HydrophobicContact CB-CG 4.29Å; R611-R615 WeakPolarHBondContact O-CB 3.21Å; R611-R615 VanDerWaalsContact O-CG 3.24Å; R611-R615 WeakPolarHBondContact O-CG 3.43Å; R611-R615 PolarHBondContact O-N 2.95Å
612	L	87.7	Confident	90.5	Very high	64 Å²	64	36.2 Å²	36.2	34%	0.335	18%	0.182	S	C	.	.	H	α-helix	trans	-60.4	-48.7	-168.7	179.6	62.6	0	0	0	113.1	L469 N610 R615 R616	L469-L612 HydrophobicContact CD1-CD1 3.6Å; N610-L612 PolarHBondContact O-N 3.16Å; N610-L612 VanDerWaalsContact OD1-CB 3.24Å; N610-L612 WeakPolarHBondContact OD1-CB 3.46Å; N610-L612 PolarHBondContact OD1-N 3.49Å; N610-L612 VanDerWaalsContact OD1-N 3.11Å; L612-R615 PolarHBondContact O-N 2.78Å; L612-R616 WeakPolarHBondContact O-CG 3.47Å; L612-R616 PolarHBondContact O-N 3.08Å; L612-R616 VanDerWaalsContact O-N 3.07Å
613	T	90.3	Very high	90.8	Very high	56 Å²	56	35.5 Å²	35.5	34%	0.344	17%	0.173	S	C	.	.	H	α-helix	trans	-65.8	-46.8	-178.6	-62.6	0	0	0	0	111.1	R611 R615 R616 C617 S815	R611-T613 PolarHBondContact O-N 3.28Å; T613-R615 VanDerWaalsContact C-N 3.31Å; T613-R615 PolarHBondContact O-N 3.05Å; T613-R616 WeakPolarHBondContact O-CB 3.37Å; T613-R616 PolarHBondContact O-N 3.13Å; T613-C617 PolarHBondContact O-N 3.07Å; T613-C617 PolarHBondContact O-SG 2.91Å; T613-C617 VanDerWaalsContact O-SG 3.36Å; T613-S815 PolarHBondContact OG1-OG 2.88Å
614	I	93.1	Very high	91	Very high	9 Å²	9	35.7 Å²	35.7	5%	0.046	17%	0.174	C	C	.	.	H	α-helix	trans	-58.8	-42.1	176.8	-74.3	-173.3	0	0	0	111.6	L512 E515 E516 Y609 R611 R616 C617 H618	L512-I614 HydrophobicContact CB-CG2 4.19Å; L512-I614 HydrophobicContact CD2-CG1 4.5Å; E515-I614 HydrophobicContact CB-CD1 4.47Å; E515-I614 HydrophobicContact CG-CD1 4.45Å; E516-I614 HydrophobicContact CB-CD1 3.84Å; Y609-I614 HydrophobicContact CE1-CD1 3.89Å; Y609-I614 VanDerWaalsContact OH-CD1 3.32Å; Y609-I614 WeakPolarHBondContact OH-CD1 3.49Å; R611-I614 PolarHBondContact O-N 3.17Å; I614-R616 VanDerWaalsContact C-N 3.31Å; I614-R616 PolarHBondContact O-N 2.59Å; I614-C617 WeakPolarHBondContact O-CB 3.2Å; I614-C617 PolarHBondContact O-N 2.9Å; I614-C617 VanDerWaalsContact O-N 3.17Å; I614-H618 PolarHBondContact O-CD2 3.35Å; I614-H618 PolarHBondContact O-N 3.11Å
615	R	94.3	Very high	91.2	Very high	64 Å²	64	38.9 Å²	38.9	24%	0.242	19%	0.185	C	C	.	.	H	α-helix	trans	-64.6	-34.1	176.2	-72.9	173.6	65.5	-165.7	3.4	113.1	L469 P470 F472 R611 L612 T613 N619	L469-R615 PolarHBondContact O-NH2 2.87Å; P470-R615 VanDerWaalsContact O-CZ 3.25Å; P470-R615 PolarHBondContact O-NE 3.13Å; P470-R615 PolarHBondContact O-NH2 2.99Å; F472-R615 HydrophobicContact CD2-CB 4.23Å; F472-R615 HydrophobicContact CD2-CG 4.33Å; F472-R615 WeakPolarHBondContact CE2-O 3.37Å; R611-R615 HydrophobicContact CB-CG 4.29Å; R611-R615 WeakPolarHBondContact O-CB 3.21Å; R611-R615 VanDerWaalsContact O-CG 3.24Å; R611-R615 WeakPolarHBondContact O-CG 3.43Å; R611-R615 PolarHBondContact O-N 2.95Å; L612-R615 PolarHBondContact O-N 2.78Å; T613-R615 VanDerWaalsContact C-N 3.31Å; T613-R615 PolarHBondContact O-N 3.05Å; R615-N619 WeakPolarHBondContact O-CB 3.34Å; R615-N619 PolarHBondContact O-N 3.18Å
616	R	95.1	Very high	91.2	Very high	12 Å²	12	42.9 Å²	42.9	5%	0.045	20%	0.204	C	C	.	.	H	α-helix	trans	-68.2	-39.1	172.8	-72.6	175.9	169.5	160.9	-0.2	111.6	L469 L612 T613 I614 N619 A620 S815 I848	L469-R616 HydrophobicContact CD1-CG 3.75Å; L469-R616 HydrophobicContact CD2-CG 4.33Å; L612-R616 WeakPolarHBondContact O-CG 3.47Å; L612-R616 PolarHBondContact O-N 3.08Å; L612-R616 VanDerWaalsContact O-N 3.07Å; T613-R616 WeakPolarHBondContact O-CB 3.37Å; T613-R616 PolarHBondContact O-N 3.13Å; I614-R616 VanDerWaalsContact C-N 3.31Å; I614-R616 PolarHBondContact O-N 2.59Å; R616-N619 PolarHBondContact O-N 2.86Å; R616-A620 WeakPolarHBondContact O-CB 3.44Å; R616-A620 PolarHBondContact O-N 2.76Å; R616-S815 WeakPolarHBondContact CD-O 3.5Å; R616-S815 VanDerWaalsContact CZ-O 3.26Å; R616-S815 PolarHBondContact NE-O 3.04Å; R616-S815 PolarHBondContact NH1-O 3.3Å; R616-S815 PolarHBondContact NH1-OG 3.46Å; R616-I848 HydrophobicContact CB-CD1 3.82Å; R616-I848 HydrophobicContact CB-CG1 4.38Å
617	C	97.2	Very high	91.4	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.02	19%	0.193	C	C	.	.	H	α-helix	trans	-61.9	-45.8	173.5	-64.7	0	0	0	0	111.8	L512 T613 I614 N619 A620 L621 P844	L512-C617 HydrophobicContact CD1-CB 3.62Å; L512-C617 HydrophobicContact CD2-CB 3.92Å; L512-C617 HydrophobicContact CG-CB 4.45Å; T613-C617 PolarHBondContact O-N 3.07Å; T613-C617 PolarHBondContact O-SG 2.91Å; T613-C617 VanDerWaalsContact O-SG 3.36Å; I614-C617 WeakPolarHBondContact O-CB 3.2Å; I614-C617 PolarHBondContact O-N 2.9Å; I614-C617 VanDerWaalsContact O-N 3.17Å; C617-N619 VanDerWaalsContact C-N 3.35Å; C617-N619 PolarHBondContact O-N 3Å; C617-A620 PolarHBondContact O-N 3.19Å; C617-L621 WeakPolarHBondContact O-CG 3.41Å; C617-L621 PolarHBondContact O-N 2.84Å; C617-P844 HydrophobicContact CB-CB 3.74Å
618	H	97.3	Very high	91.6	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-59.7	-44.3	173.7	-77.6	-72.3	0	0	0	112.5	F472 S509 W513 I614 A620 L621 E622	F472-H618 HydrophobicContact CB-CB 4.07Å; F472-H618 HydrophobicContact CD1-CB 3.62Å; F472-H618 HydrophobicContact CD2-CB 3.52Å; F472-H618 HydrophobicContact CE1-CB 3.84Å; F472-H618 HydrophobicContact CE2-CB 3.73Å; F472-H618 HydrophobicContact CG-CB 3.45Å; F472-H618 VanDerWaalsContact CG-CB 3.45Å; F472-H618 AromaticContact CG-CG 3.89Å; F472-H618 HydrophobicContact CZ-CB 3.9Å; S509-H618 PolarHBondContact O-CE1 2.91Å; S509-H618 VanDerWaalsContact O-CE1 3.3Å; S509-H618 PolarHBondContact OG-ND1 3.45Å; W513-H618 AromaticContact CD1-CE1 3.76Å; W513-H618 AromaticContact CD1-NE2 3.47Å; W513-H618 AromaticContact CE2-CE1 3.49Å; W513-H618 VanDerWaalsContact CE2-CE1 3.49Å; W513-H618 AromaticContact CE2-NE2 3.93Å; W513-H618 AromaticContact CZ2-CE1 3.91Å; W513-H618 AromaticContact NE1-CE1 3.33Å; W513-H618 PolarHBondContact NE1-CE1 2.81Å; W513-H618 VanDerWaalsContact NE1-CE1 3.33Å; W513-H618 AromaticContact NE1-NE2 3.27Å; W513-H618 PolarHBondContact NE1-NE2 3Å; I614-H618 PolarHBondContact O-CD2 3.35Å; I614-H618 PolarHBondContact O-N 3.11Å; H618-A620 VanDerWaalsContact C-N 3.31Å; H618-A620 PolarHBondContact O-N 3.42Å; H618-L621 WeakPolarHBondContact O-CB 3.33Å; H618-L621 PolarHBondContact O-N 3.16Å; H618-E622 PolarHBondContact O-N 2.64Å
619	N	95.6	Very high	91.9	Very high	19 Å²	19	45.4 Å²	45.4	10%	0.102	22%	0.22	C	C	.	.	H	α-helix	trans	-61.4	-41.4	176.6	-168.7	79.3	0	0	0	111.6	L469 P470 F472 R615 R616 C617 E622 L623	L469-N619 HydrophobicContact CD2-CB 4.35Å; P470-N619 WeakPolarHBondContact CD-OD1 3.17Å; F472-N619 HydrophobicContact CE2-CB 3.91Å; F472-N619 HydrophobicContact CZ-CB 4.07Å; R615-N619 WeakPolarHBondContact O-CB 3.34Å; R615-N619 PolarHBondContact O-N 3.18Å; R616-N619 PolarHBondContact O-N 2.86Å; C617-N619 VanDerWaalsContact C-N 3.35Å; C617-N619 PolarHBondContact O-N 3Å; N619-E622 PolarHBondContact O-N 3.24Å; N619-L623 VanDerWaalsContact ND2-CD1 3.33Å; N619-L623 WeakPolarHBondContact ND2-CD1 3.48Å; N619-L623 VanDerWaalsContact O-CG 3.3Å; N619-L623 WeakPolarHBondContact O-CG 3.42Å; N619-L623 PolarHBondContact O-N 3.4Å
620	A	95.6	Very high	92.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.4	-43.7	175.8	0	0	0	0	0	111.7	R616 C617 H618 E622 L623 T624 L847 I848	R616-A620 WeakPolarHBondContact O-CB 3.44Å; R616-A620 PolarHBondContact O-N 2.76Å; C617-A620 PolarHBondContact O-N 3.19Å; H618-A620 VanDerWaalsContact C-N 3.31Å; H618-A620 PolarHBondContact O-N 3.42Å; A620-E622 VanDerWaalsContact C-N 3.27Å; A620-E622 PolarHBondContact O-N 3.23Å; A620-L623 PolarHBondContact O-N 3.41Å; A620-L623 VanDerWaalsContact O-N 3.1Å; A620-T624 WeakPolarHBondContact O-CG2 3.26Å; A620-T624 PolarHBondContact O-N 3.21Å; A620-T624 PolarHBondContact O-OG1 2.95Å; A620-T624 VanDerWaalsContact O-OG1 3.06Å; A620-L847 HydrophobicContact CB-CB 3.89Å; A620-I848 HydrophobicContact CB-CB 4.34Å; A620-I848 HydrophobicContact CB-CG1 3.81Å
621	L	95.6	Very high	92.9	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-58.4	-37.1	174.7	-73.2	168	0	0	0	112.5	M504 F505 F508 L512 C617 H618 K625 P844 L847	M504-L621 HydrophobicContact CE-CD2 4.32Å; F505-L621 HydrophobicContact CD2-CB 3.85Å; F505-L621 HydrophobicContact CE2-CB 4.01Å; F508-L621 HydrophobicContact CB-CD1 3.74Å; F508-L621 HydrophobicContact CB-CD2 3.86Å; F508-L621 HydrophobicContact CB-CG 4.48Å; F508-L621 HydrophobicContact CG-CD2 4.46Å; L512-L621 HydrophobicContact CD1-CD1 3.69Å; C617-L621 WeakPolarHBondContact O-CG 3.41Å; C617-L621 PolarHBondContact O-N 2.84Å; H618-L621 WeakPolarHBondContact O-CB 3.33Å; H618-L621 PolarHBondContact O-N 3.16Å; L621-K625 WeakPolarHBondContact O-CG 3.39Å; L621-P844 HydrophobicContact CD1-CB 4.24Å; L621-P844 HydrophobicContact CD1-CG 4.35Å; L621-P844 HydrophobicContact CD2-CG 4.49Å; L621-P844 HydrophobicContact CG-CB 4.29Å; L621-L847 HydrophobicContact CD2-CD1 3.61Å; L621-L847 HydrophobicContact CG-CD1 4.38Å
622	E	93.7	Very high	93.3	Very high	79 Å²	79	37.1 Å²	37.1	37%	0.369	18%	0.183	S	C	.	.	H	α-helix	trans	-67.9	-41.7	174.1	-72.8	-167.9	155.2	0	0	112.5	F472 F505 H618 N619 A620 T624 K625	F472-E622 VanDerWaalsContact CE1-CD 3.5Å; F472-E622 HydrophobicContact CE1-CG 4.2Å; F505-E622 HydrophobicContact CE2-CB 4.31Å; F505-E622 HydrophobicContact CE2-CG 3.41Å; F505-E622 VanDerWaalsContact CE2-CG 3.41Å; F505-E622 HydrophobicContact CZ-CG 3.73Å; H618-E622 PolarHBondContact O-N 2.64Å; N619-E622 PolarHBondContact O-N 3.24Å; A620-E622 VanDerWaalsContact C-N 3.27Å; A620-E622 PolarHBondContact O-N 3.23Å; E622-T624 VanDerWaalsContact C-N 3.31Å; E622-T624 PolarHBondContact O-N 3.35Å; E622-K625 WeakPolarHBondContact O-CG 3.24Å
623	L	92.5	Very high	93.6	Very high	66 Å²	66	34.2 Å²	34.2	35%	0.346	17%	0.168	S	C	.	.	H	α-helix	trans	-75.2	-15.9	-177.7	-68.3	175.9	0	0	0	113.9	N619 A620 H626 H821	N619-L623 VanDerWaalsContact ND2-CD1 3.33Å; N619-L623 WeakPolarHBondContact ND2-CD1 3.48Å; N619-L623 VanDerWaalsContact O-CG 3.3Å; N619-L623 WeakPolarHBondContact O-CG 3.42Å; N619-L623 PolarHBondContact O-N 3.4Å; A620-L623 PolarHBondContact O-N 3.41Å; A620-L623 VanDerWaalsContact O-N 3.1Å; L623-H626 PolarHBondContact O-CE1 3.1Å; L623-H626 PolarHBondContact O-ND1 3.22Å; L623-H821 WeakPolarHBondContact CD1-CE1 3.11Å; L623-H821 WeakPolarHBondContact CD1-NE2 3.12Å
624	T	93.5	Very high	93.7	Very high	5 Å²	5	35 Å²	35	3%	0.031	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	18.6	-179.8	62.6	0	0	0	0	113.2	A620 E622 H626 F627 L847	A620-T624 WeakPolarHBondContact O-CG2 3.26Å; A620-T624 PolarHBondContact O-N 3.21Å; A620-T624 PolarHBondContact O-OG1 2.95Å; A620-T624 VanDerWaalsContact O-OG1 3.06Å; E622-T624 VanDerWaalsContact C-N 3.31Å; E622-T624 PolarHBondContact O-N 3.35Å; T624-H626 PolarHBondContact O-N 3.43Å; T624-F627 HydrophobicContact CG2-CD2 3.99Å; T624-F627 HydrophobicContact CG2-CE2 4.15Å; T624-F627 HydrophobicContact CG2-CG 4.4Å; T624-F627 WeakPolarHBondContact O-CB 3.37Å; T624-F627 PolarHBondContact O-N 2.94Å; T624-F627 VanDerWaalsContact O-N 3.09Å; T624-L847 HydrophobicContact CG2-CB 4.34Å; T624-L847 HydrophobicContact CG2-CD2 4.36Å
625	K	91.2	Very high	93.6	Very high	121 Å²	121	44 Å²	44	53%	0.526	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.8	179.4	-77.2	176.7	176.6	167.1	0	113.2	F505 L621 E622	F505-K625 HydrophobicContact CD2-CD 4.42Å; F505-K625 HydrophobicContact CD2-CG 4.31Å; F505-K625 VanDerWaalsContact CE2-CE 3.45Å; F505-K625 VanDerWaalsContact CG-CE 3.44Å; L621-K625 WeakPolarHBondContact O-CG 3.39Å; E622-K625 WeakPolarHBondContact O-CG 3.24Å
626	H	89.4	Confident	93.4	Very high	86 Å²	86	43.2 Å²	43.2	40%	0.398	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-9	178.7	50.5	-67.6	0	0	0	114.1	L623 T624 G628 E827 E855	L623-H626 PolarHBondContact O-CE1 3.1Å; L623-H626 PolarHBondContact O-ND1 3.22Å; T624-H626 PolarHBondContact O-N 3.43Å; H626-G628 PolarHBondContact O-N 2.69Å; H626-E827 IonicContact CD2-OE2 3.09Å; H626-E827 IonicContact CE1-OE2 2.97Å; H626-E827 IonicContact NE2-OE1 2.67Å; H626-E827 IonicContact NE2-OE2 2.8Å; H626-E827 PolarHBondContact NE2-OE2 3.39Å; H626-E855 IonicContact CD2-OE2 3.03Å; H626-E855 PolarHBondContact CD2-OE2 3.02Å; H626-E855 VanDerWaalsContact CD2-OE2 3.23Å; H626-E855 IonicContact CG-OE2 3.36Å
627	F	93.1	Very high	92.9	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.009	23%	0.232	C	C	.	.			trans	-78.7	33.1	-173.8	-76.4	21.9	0	0	0	113.6	T624 E629 I630 L631 I850 V853 E855	T624-F627 HydrophobicContact CG2-CD2 3.99Å; T624-F627 HydrophobicContact CG2-CE2 4.15Å; T624-F627 HydrophobicContact CG2-CG 4.4Å; T624-F627 WeakPolarHBondContact O-CB 3.37Å; T624-F627 PolarHBondContact O-N 2.94Å; T624-F627 VanDerWaalsContact O-N 3.09Å; F627-E629 PolarHBondContact O-N 2.78Å; F627-I630 HydrophobicContact CB-CB 4.25Å; F627-I630 HydrophobicContact CB-CD1 4.39Å; F627-I630 HydrophobicContact CD1-CD1 4.44Å; F627-I630 HydrophobicContact CD2-CD1 3.89Å; F627-I630 HydrophobicContact CE2-CD1 4.21Å; F627-I630 HydrophobicContact CG-CD1 4.01Å; F627-I630 PolarHBondContact O-N 3Å; F627-I630 VanDerWaalsContact O-N 3.13Å; F627-L631 HydrophobicContact CB-CD1 3.82Å; F627-L631 HydrophobicContact CB-CG 3.98Å; F627-L631 WeakPolarHBondContact O-CB 3.33Å; F627-L631 WeakPolarHBondContact O-CG 3.29Å; F627-L631 PolarHBondContact O-N 3.44Å; F627-I850 HydrophobicContact CD2-CG2 3.88Å; F627-I850 HydrophobicContact CE2-CG2 3.68Å; F627-I850 WeakPolarHBondContact CE2-O 3.37Å; F627-V853 HydrophobicContact CE2-CG2 4.42Å; F627-V853 WeakPolarHBondContact CZ-O 3.43Å; F627-E855 HydrophobicContact CD1-CB 4.04Å; F627-E855 HydrophobicContact CE1-CB 3.79Å
628	G	89.6	Confident	92.4	Very high	24 Å²	24	50.2 Å²	50.2	25%	0.247	26%	0.26	C	S	.	.	H	α-helix	trans	-52.6	-52.7	-174.3	0	0	0	0	0	113.5	H626 I630 L631 F632	H626-G628 PolarHBondContact O-N 2.69Å; G628-I630 VanDerWaalsContact C-N 3.34Å; G628-I630 PolarHBondContact O-N 3.31Å; G628-L631 PolarHBondContact O-N 3.18Å; G628-F632 WeakPolarHBondContact O-CA 3.33Å; G628-F632 WeakPolarHBondContact O-CB 3.3Å; G628-F632 PolarHBondContact O-N 2.91Å
629	E	89.7	Confident	92	Very high	118 Å²	118	53.6 Å²	53.6	55%	0.551	28%	0.276	S	S	*	.	H	α-helix	trans	-69.6	-27.6	-179.8	-68.1	-63.3	148	0	0	113.5	F627 P633 S634 L714	F627-E629 PolarHBondContact O-N 2.78Å; E629-P633 WeakPolarHBondContact O-CA 3.36Å; E629-P633 WeakPolarHBondContact O-CB 3.32Å; E629-S634 PolarHBondContact OE2-OG 3.27Å; E629-L714 WeakPolarHBondContact O-CD2 3.35Å
630	I	93.6	Very high	91.5	Very high	3 Å²	3	58 Å²	58	2%	0.015	30%	0.303	C	S	.	.	H	α-helix	trans	-73.5	-44	177.5	-65.2	172.7	0	0	0	110.1	F627 G628 P713 P715 E855 I860	F627-I630 HydrophobicContact CB-CB 4.25Å; F627-I630 HydrophobicContact CB-CD1 4.39Å; F627-I630 HydrophobicContact CD1-CD1 4.44Å; F627-I630 HydrophobicContact CD2-CD1 3.89Å; F627-I630 HydrophobicContact CE2-CD1 4.21Å; F627-I630 HydrophobicContact CG-CD1 4.01Å; F627-I630 PolarHBondContact O-N 3Å; F627-I630 VanDerWaalsContact O-N 3.13Å; G628-I630 VanDerWaalsContact C-N 3.34Å; G628-I630 PolarHBondContact O-N 3.31Å; I630-P713 HydrophobicContact CD1-CB 3.77Å; I630-P713 HydrophobicContact CD1-CG 3.96Å; I630-P713 HydrophobicContact CG1-CB 3.92Å; I630-P713 HydrophobicContact CG1-CG 3.72Å; I630-P715 HydrophobicContact CG2-CG 4.02Å; I630-E855 HydrophobicContact CD1-CB 4.42Å; I630-I860 HydrophobicContact CG2-CD1 3.64Å
631	L	95.1	Very high	91.1	Very high	3 Å²	3	62 Å²	62	2%	0.016	32%	0.322	C	S	.	.	H	α-helix	trans	-88.1	-25.8	-173.5	-59.7	175.1	0	0	0	112.6	M504 F627 G628 P633 L847 L887 R890	M504-L631 HydrophobicContact CE-CD1 3.86Å; M504-L631 HydrophobicContact SD-CB 4.49Å; M504-L631 HydrophobicContact SD-CD1 3.74Å; F627-L631 HydrophobicContact CB-CD1 3.82Å; F627-L631 HydrophobicContact CB-CG 3.98Å; F627-L631 WeakPolarHBondContact O-CB 3.33Å; F627-L631 WeakPolarHBondContact O-CG 3.29Å; F627-L631 PolarHBondContact O-N 3.44Å; G628-L631 PolarHBondContact O-N 3.18Å; L631-P633 VanDerWaalsContact C-CD 3.46Å; L631-L847 HydrophobicContact CD1-CD2 3.99Å; L631-L847 HydrophobicContact CD2-CD2 3.58Å; L631-L847 HydrophobicContact CG-CD2 4.44Å; L631-L887 HydrophobicContact CD2-CD1 4.19Å; L631-L887 HydrophobicContact CD2-CD2 4.35Å; L631-R890 PolarHBondContact O-NH1 3.38Å; L631-R890 PolarHBondContact O-NH2 2.77Å
632	F	95.4	Very high	90.6	Very high	40 Å²	40	64.9 Å²	64.9	18%	0.175	34%	0.337	C	S	.	.	S	Bend	trans	-129.3	64.3	177.5	-61	-92.7	0	0	0	110.5	L499 S500 P501 M504 G628 S634	L499-F632 HydrophobicContact CD1-CZ 4.19Å; L499-F632 HydrophobicContact CD2-CE1 4.37Å; L499-F632 HydrophobicContact CD2-CZ 4.31Å; L499-F632 HydrophobicContact CG-CE1 3.9Å; L499-F632 HydrophobicContact CG-CZ 3.84Å; S500-F632 VanDerWaalsContact C-CZ 3.5Å; P501-F632 HydrophobicContact CB-CD2 4.14Å; P501-F632 HydrophobicContact CB-CE2 4.35Å; P501-F632 HydrophobicContact CG-CB 3.98Å; P501-F632 HydrophobicContact CG-CD1 4.36Å; P501-F632 HydrophobicContact CG-CD2 3.59Å; P501-F632 HydrophobicContact CG-CE2 4.13Å; P501-F632 HydrophobicContact CG-CG 3.72Å; M504-F632 HydrophobicContact CB-CE2 4.22Å; M504-F632 HydrophobicContact CB-CZ 4.17Å; M504-F632 HydrophobicContact CG-CE2 4.37Å; M504-F632 HydrophobicContact CG-CZ 4.38Å; M504-F632 HydrophobicContact SD-CE2 3.65Å; M504-F632 HydrophobicContact SD-CZ 4.13Å; G628-F632 WeakPolarHBondContact O-CA 3.33Å; G628-F632 WeakPolarHBondContact O-CB 3.3Å; G628-F632 PolarHBondContact O-N 2.91Å; F632-S634 PolarHBondContact O-N 3.24Å
633	P	94.3	Very high	90.2	Very high	4 Å²	4	61.4 Å²	61.4	3%	0.026	32%	0.321	C	S	.	.			trans	-65.4	131	-174.5	27.2	-34.5	0	0	0	111.2	E629 L631 L714 L891 N894 L896 Y897	E629-P633 WeakPolarHBondContact O-CA 3.36Å; E629-P633 WeakPolarHBondContact O-CB 3.32Å; L631-P633 VanDerWaalsContact C-CD 3.46Å; P633-L714 HydrophobicContact CB-CD1 4.42Å; P633-L714 HydrophobicContact CB-CD2 3.85Å; P633-L891 HydrophobicContact CG-CD2 3.91Å; P633-N894 PolarHBondContact O-ND2 2.93Å; P633-L896 HydrophobicContact CB-CD1 4.03Å; P633-Y897 HydrophobicContact CB-CE2 4.42Å; P633-Y897 HydrophobicContact CG-CE2 3.67Å
634	S	92.9	Very high	89.6	Confident	72 Å²	72	64 Å²	64	50%	0.503	34%	0.339	S	S	.	.			trans	-114.2	-26.4	-178.8	68.7	0	0	0	0	113.2	E629 F632	E629-S634 PolarHBondContact OE2-OG 3.27Å; F632-S634 PolarHBondContact O-N 3.24Å
635	R	90.9	Very high	88.8	Confident	199 Å²	199	64.7 Å²	64.7	75%	0.751	35%	0.347	S	S	*	.			trans	-147.7	156	-177.6	-60.2	-178.8	-177.7	-179.6	0	110.7
636	V	89.5	Confident	88.2	Confident	47 Å²	47	67.4 Å²	67.4	29%	0.285	36%	0.362	S	S	.	.			trans	-103.4	118.3	173.5	-179.7	0	0	0	0	109.1	C711 L714 L896 L908	V636-C711 HydrophobicContact CG1-CB 4.21Å; V636-C711 WeakPolarHBondContact CG1-SG 3.36Å; V636-L714 HydrophobicContact CG2-CD1 4.29Å; V636-L896 HydrophobicContact CG2-CD1 4.34Å; V636-L896 HydrophobicContact CG2-CD2 4.38Å; V636-L908 HydrophobicContact CG2-CD1 3.82Å; V636-L908 HydrophobicContact CG2-CG 4.47Å
637	S	86.3	Confident	87.9	Confident	68 Å²	68	64.9 Å²	64.9	48%	0.476	35%	0.349	S	S	.	.			trans	-109.4	116.7	172.7	49.8	0	0	0	0	109.9	Q639	S637-Q639 PolarHBondContact O-N 3.19Å
638	P	85.8	Confident	87.1	Confident	94 Å²	94	70.1 Å²	70.1	61%	0.61	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-64	132.8	176.7	-19.6	31.5	0	0	0	111.4	E710	P638-E710 CarbonylContact C-O 3.55Å; P638-E710 WeakPolarHBondContact CA-O 3.29Å
639	Q	88.3	Confident	85.4	Confident	72 Å²	72	75.4 Å²	75.4	34%	0.336	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-102.6	162.6	170.4	-62	-58.6	-35.2	0	0	110.5	S637 H641 E710 R712	S637-Q639 PolarHBondContact O-N 3.19Å; Q639-H641 PolarHBondContact O-N 3.27Å; Q639-E710 PolarHBondContact N-O 3.48Å; Q639-R712 HydrophobicContact CB-CG 4.12Å; Q639-R712 HydrophobicContact CG-CG 3.95Å; Q639-R712 WeakPolarHBondContact CG-O 3.42Å
640	T	85.6	Confident	83.5	Confident	111 Å²	111	76.4 Å²	76.4	68%	0.681	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-59.8	136.6	172.6	46.2	0	0	0	0	110.8	L642 R712	T640-L642 PolarHBondContact O-N 3.07Å; T640-R712 PolarHBondContact O-NH1 3.17Å; T640-R712 PolarHBondContact O-NH2 3.31Å
641	H	87.1	Confident	80.6	Confident	84 Å²	84	83.3 Å²	83.3	39%	0.389	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-63.5	137.1	-176.2	-60.9	-167.4	0	0	0	110.5	Q639 W643 T644 E708 E710	Q639-H641 PolarHBondContact O-N 3.27Å; H641-W643 WeakPolarHBondContact CB-O 3.43Å; H641-T644 HydrophobicContact CB-CG2 4.17Å; H641-E708 CarbonylContact C-O 3.54Å; H641-E708 VanDerWaalsContact CA-O 3.28Å; H641-E708 WeakPolarHBondContact CA-O 3.31Å; H641-E710 IonicContact CE1-OE1 3.05Å; H641-E710 PolarHBondContact CE1-OE1 3.42Å; H641-E710 VanDerWaalsContact NE2-CG 3.34Å; H641-E710 WeakPolarHBondContact NE2-CG 3.33Å; H641-E710 IonicContact NE2-OE1 3.23Å; H641-E710 PolarHBondContact NE2-OE1 2.82Å
642	L	85	Confident	77.6	Confident	64 Å²	64	88.6 Å²	88.6	34%	0.335	47%	0.473	S	S	.	.	S	Bend	trans	-69	-30.1	172.3	-71	-178.6	0	0	0	111.3	T640 E708 A709 L741	T640-L642 PolarHBondContact O-N 3.07Å; L642-E708 PolarHBondContact N-O 3.49Å; L642-A709 HydrophobicContact CB-CB 4.41Å; L642-A709 HydrophobicContact CD1-CB 3.64Å; L642-A709 HydrophobicContact CG-CB 3.91Å; L642-L741 HydrophobicContact CB-CD1 4.14Å; L642-L741 HydrophobicContact CB-CD2 4Å; L642-L741 HydrophobicContact CD1-CD1 4.22Å; L642-L741 VanDerWaalsContact O-CD2 3.29Å; L642-L741 WeakPolarHBondContact O-CD2 3.37Å
643	W	86.5	Confident	74.8	Confident	7 Å²	7	92.7 Å²	92.7	3%	0.027	50%	0.504	C	S	.	.			trans	-128.6	130.9	178	-174.8	89.9	0	0	0	110.9	H641 G645 W647 K687 L707 L741	H641-W643 WeakPolarHBondContact CB-O 3.43Å; W643-G645 WeakPolarHBondContact CH2-O 3.48Å; W643-G645 VanDerWaalsContact CZ2-CA 3.46Å; W643-G645 VanDerWaalsContact CZ3-C 3.47Å; W643-G645 WeakPolarHBondContact CZ3-O 3.33Å; W643-W647 AromaticContact CH2-CD1 3.88Å; W643-W647 AromaticContact CH2-CD2 3.94Å; W643-W647 HydrophobicContact CH2-CD2 3.94Å; W643-W647 AromaticContact CH2-CE2 3.66Å; W643-W647 HydrophobicContact CH2-CG 4.07Å; W643-W647 HydrophobicContact CH2-CZ2 4.16Å; W643-W647 AromaticContact CH2-NE1 3.66Å; W643-W647 AromaticContact CZ3-CD1 3.6Å; W643-W647 HydrophobicContact CZ3-CD2 4.24Å; W643-W647 AromaticContact CZ3-CE2 3.58Å; W643-W647 HydrophobicContact CZ3-CG 4.24Å; W643-W647 HydrophobicContact CZ3-CZ2 4.11Å; W643-W647 AromaticContact CZ3-NE1 3.17Å; W643-K687 HydrophobicContact CZ2-CG 4.22Å; W643-L707 HydrophobicContact CB-CD2 4.2Å; W643-L707 HydrophobicContact CB-CG 3.76Å; W643-L707 WeakPolarHBondContact CB-O 3.06Å; W643-L707 HydrophobicContact CD2-CD2 3.65Å; W643-L707 HydrophobicContact CD2-CG 4.19Å; W643-L707 HydrophobicContact CE3-CD2 4.1Å; W643-L707 HydrophobicContact CG-CD2 3.72Å; W643-L707 HydrophobicContact CG-CG 3.85Å; W643-L707 HydrophobicContact CZ2-CD2 4.46Å; W643-L741 HydrophobicContact CB-CD2 4.15Å
644	T	79.4	Confident	71.8	Confident	119 Å²	119	96.6 Å²	96.6	73%	0.73	54%	0.536	S	S	*	.			trans	-121.2	20.3	-176.8	54.5	0	0	0	0	112.5	H641	H641-T644 HydrophobicContact CB-CG2 4.17Å
645	G	76.4	Confident	69	Low	20 Å²	20	102.3 Å²	102.3	21%	0.206	56%	0.555	C	S	.	*	P	Polyproline II helix	trans	-72	163.7	175.1	0	0	0	0	0	111.7	W643	W643-G645 WeakPolarHBondContact CH2-O 3.48Å; W643-G645 VanDerWaalsContact CZ2-CA 3.46Å; W643-G645 VanDerWaalsContact CZ3-C 3.47Å; W643-G645 WeakPolarHBondContact CZ3-O 3.33Å
646	E	79.2	Confident	66.1	Low	178 Å²	178	100 Å²	100	83%	0.832	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-91.3	135.6	168.8	-67.7	-177.6	170.9	0	0	109.2	G688	E646-G688 WeakPolarHBondContact O-CA 3.36Å
647	W	82.6	Confident	63.8	Low	34 Å²	34	101.8 Å²	101.8	13%	0.129	59%	0.585	C	S	.	*	P	Polyproline II helix	trans	-77.3	131	169.2	-69.8	98.6	0	0	0	108.4	W643 D649 F690 V703 K704 L707	W643-W647 AromaticContact CH2-CD1 3.88Å; W643-W647 AromaticContact CH2-CD2 3.94Å; W643-W647 HydrophobicContact CH2-CD2 3.94Å; W643-W647 AromaticContact CH2-CE2 3.66Å; W643-W647 HydrophobicContact CH2-CG 4.07Å; W643-W647 HydrophobicContact CH2-CZ2 4.16Å; W643-W647 AromaticContact CH2-NE1 3.66Å; W643-W647 AromaticContact CZ3-CD1 3.6Å; W643-W647 HydrophobicContact CZ3-CD2 4.24Å; W643-W647 AromaticContact CZ3-CE2 3.58Å; W643-W647 HydrophobicContact CZ3-CG 4.24Å; W643-W647 HydrophobicContact CZ3-CZ2 4.11Å; W643-W647 AromaticContact CZ3-NE1 3.17Å; W647-D649 PolarHBondContact O-N 3.33Å; W647-F690 HydrophobicContact CD2-CZ 4.37Å; W647-F690 HydrophobicContact CE3-CE1 4Å; W647-F690 AromaticContact CE3-CE2 3.95Å; W647-F690 HydrophobicContact CE3-CE2 3.95Å; W647-F690 AromaticContact CE3-CZ 3.57Å; W647-F690 HydrophobicContact CE3-CZ 3.57Å; W647-F690 HydrophobicContact CH2-CD1 4.4Å; W647-F690 AromaticContact CH2-CE1 3.81Å; W647-F690 HydrophobicContact CH2-CE1 3.81Å; W647-F690 HydrophobicContact CH2-CZ 4.2Å; W647-F690 AromaticContact CZ3-CD1 3.87Å; W647-F690 HydrophobicContact CZ3-CD1 3.87Å; W647-F690 HydrophobicContact CZ3-CD2 4.46Å; W647-F690 AromaticContact CZ3-CE1 3.38Å; W647-F690 HydrophobicContact CZ3-CE1 3.38Å; W647-F690 HydrophobicContact CZ3-CE2 4.04Å; W647-F690 HydrophobicContact CZ3-CG 4.39Å; W647-F690 AromaticContact CZ3-CZ 3.47Å; W647-F690 HydrophobicContact CZ3-CZ 3.47Å; W647-F690 VanDerWaalsContact CZ3-CZ 3.47Å; W647-V703 HydrophobicContact CH2-CG1 3.87Å; W647-V703 HydrophobicContact CZ2-CG1 4.43Å; W647-K704 HydrophobicContact CD2-CD 4.2Å; W647-K704 HydrophobicContact CD2-CG 3.99Å; W647-K704 HydrophobicContact CG-CD 3.97Å; W647-K704 HydrophobicContact CG-CG 4.26Å; W647-K704 HydrophobicContact CZ2-CB 4.31Å; W647-K704 HydrophobicContact CZ2-CG 3.89Å; W647-L707 HydrophobicContact CH2-CD2 4.07Å; W647-L707 HydrophobicContact CZ2-CD2 3.77Å
648	M	75.1	Confident	60.9	Low	112 Å²	112	105.6 Å²	105.6	55%	0.552	60%	0.601	S	S	*	*			trans	-77	109.5	171.6	-63.7	-164.1	-152.2	0	0	108.2	E650 S686 G688	M648-E650 PolarHBondContact O-N 3.23Å; M648-S686 WeakPolarHBondContact CE-OG 3.31Å; M648-G688 PolarHBondContact N-O 3.02Å
649	D	53.9	Low	58.4	Low	134 Å²	134	108.2 Å²	108.2	72%	0.717	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-69.3	126.6	172	-78.7	-26.1	0	0	0	109.4	W647 N651 K704	W647-D649 PolarHBondContact O-N 3.33Å; D649-N651 PolarHBondContact O-N 2.92Å; D649-K704 IonicContact OD1-NZ 3.29Å
650	E	50.6	Low	55.9	Low	140 Å²	140	109.3 Å²	109.3	65%	0.654	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-72.3	118.4	168.9	-71.3	-179.6	143.8	0	0	108	M648 K700	M648-E650 PolarHBondContact O-N 3.23Å; E650-K700 IonicContact OE2-NZ 3.95Å; E650-K700 PolarHBondContact OE2-NZ 3.23Å
651	N	32.7	Very low	53.1	Low	147 Å²	147	113.9 Å²	113.9	79%	0.786	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-49.3	140.9	161	-75.6	-35	0	0	0	108.8	D649	D649-N651 PolarHBondContact O-N 2.92Å
652	P	33.2	Very low	50.4	Low	114 Å²	114	115.6 Å²	115.6	74%	0.74	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-54.4	137.7	171.8	22.9	-30.9	0	0	0	108.8	A654	P652-A654 PolarHBondContact O-N 3.27Å; P652-A654 VanDerWaalsContact O-N 3.11Å
653	P	34.9	Very low	47.5	Very low	127 Å²	127	117.8 Å²	117.8	83%	0.825	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-61.3	123	-175.3	23.2	-29.8	0	0	0	108.9	E655	P653-E655 PolarHBondContact O-N 3.02Å
654	A	31	Very low	44.9	Very low	85 Å²	85	121.9 Å²	121.9	70%	0.702	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-57.1	129.4	165	0	0	0	0	0	108.2	P652 N656	P652-A654 PolarHBondContact O-N 3.27Å; P652-A654 VanDerWaalsContact O-N 3.11Å; A654-N656 VanDerWaalsContact C-N 3.34Å; A654-N656 PolarHBondContact O-N 3.23Å
655	E	35.3	Very low	42.5	Very low	192 Å²	192	120.6 Å²	120.6	90%	0.897	69%	0.693	S	S	*	*			trans	-58.6	97.5	165.4	-71.6	-178.8	160.1	0	0	108.5	P653	P653-E655 PolarHBondContact O-N 3.02Å
656	N	30.5	Very low	40.6	Very low	152 Å²	152	124.6 Å²	124.6	81%	0.813	71%	0.709	S	S	*	*			trans	-146.4	114.1	160.1	-89.9	-34.5	0	0	0	107.7	A654 D658	A654-N656 VanDerWaalsContact C-N 3.34Å; A654-N656 PolarHBondContact O-N 3.23Å; N656-D658 PolarHBondContact O-N 2.84Å
657	G	39.8	Very low	38.2	Very low	83 Å²	83	121.7 Å²	121.7	86%	0.856	69%	0.694	S	S	*	*			trans	-66.7	126.1	178.8	0	0	0	0	0	111.5
658	D	26.3	Very low	35.8	Very low	149 Å²	149	123 Å²	123	80%	0.797	71%	0.707	S	S	*	*			trans	-157.8	101.4	146.2	-150.3	-5.8	0	0	0	109.1	N656 S660	N656-D658 PolarHBondContact O-N 2.84Å; D658-S660 PolarHBondContact O-N 3.08Å; D658-S660 VanDerWaalsContact O-N 3.17Å
659	T	33.5	Very low	33.7	Very low	149 Å²	149	123.8 Å²	123.8	91%	0.914	71%	0.708	S	S	*	*			trans	-83.1	85.6	-177.2	22.3	0	0	0	0	110.6
660	S	35.4	Very low	32.8	Very low	95 Å²	95	121.9 Å²	121.9	66%	0.664	71%	0.711	S	S	*	*			trans	-157.8	79.7	156.9	56	0	0	0	0	113	D658	D658-S660 PolarHBondContact O-N 3.08Å; D658-S660 VanDerWaalsContact O-N 3.17Å
661	K	26.8	Very low	31.8	Very low	207 Å²	207	119.5 Å²	119.5	90%	0.9	71%	0.706	S	S	*	*			trans	-140.5	144.1	163.9	-77.6	-170.7	-177.8	168.5	0	112.7	C663	K661-C663 PolarHBondContact O-N 3.4Å
662	P	29.9	Very low	31.8	Very low	119 Å²	119	121 Å²	121	77%	0.773	71%	0.708	S	S	*	*			trans	-76.1	125.8	-165.7	30.7	-32.8	0	0	0	111.4	V664	P662-V664 PolarHBondContact O-N 3.15Å
663	C	24.7	Very low	31.6	Very low	111 Å²	111	121.1 Å²	121.1	75%	0.75	71%	0.707	S	S	*	*			trans	-60.3	116.2	173.2	-171.7	0	0	0	0	110.2	K661 D665	K661-C663 PolarHBondContact O-N 3.4Å; C663-D665 PolarHBondContact O-N 3.25Å
664	V	32.1	Very low	31.5	Very low	92 Å²	92	125.1 Å²	125.1	56%	0.558	71%	0.712	S	S	*	*			trans	-87.3	99.9	171.4	179	0	0	0	0	107.8	P662 I666	P662-V664 PolarHBondContact O-N 3.15Å; V664-I666 PolarHBondContact O-N 3.27Å
665	D	29.6	Very low	31.3	Very low	92 Å²	92	124.8 Å²	124.8	49%	0.492	72%	0.716	S	S	.	*			trans	-64.8	94.4	172.5	-83.2	-21.2	0	0	0	111	C663 K667	C663-D665 PolarHBondContact O-N 3.25Å; D665-K667 HydrophobicContact CB-CB 4.38Å; D665-K667 HydrophobicContact CB-CD 4.24Å; D665-K667 HydrophobicContact CB-CG 4.05Å; D665-K667 VanDerWaalsContact CG-CD 3.44Å; D665-K667 VanDerWaalsContact CG-CE 3.46Å; D665-K667 PolarHBondContact O-N 3.43Å; D665-K667 VanDerWaalsContact OD1-CD 3.29Å; D665-K667 WeakPolarHBondContact OD1-CD 3.48Å; D665-K667 WeakPolarHBondContact OD1-CE 3.41Å; D665-K667 WeakPolarHBondContact OD1-CG 3.43Å; D665-K667 IonicContact OD1-NZ 2.76Å; D665-K667 PolarHBondContact OD1-NZ 3.39Å; D665-K667 WeakPolarHBondContact OD2-CD 3.3Å; D665-K667 WeakPolarHBondContact OD2-CE 3.45Å; D665-K667 IonicContact OD2-NZ 3.27Å; D665-K667 PolarHBondContact OD2-NZ 2.88Å
666	I	35.4	Very low	31.3	Very low	105 Å²	105	126.4 Å²	126.4	54%	0.538	72%	0.72	S	S	.	*			trans	-90.6	62	142.6	-54.7	178.5	0	0	0	106	V664 S668	V664-I666 PolarHBondContact O-N 3.27Å; I666-S668 PolarHBondContact O-N 2.9Å
667	K	28.7	Very low	31.3	Very low	117 Å²	117	122.1 Å²	122.1	51%	0.509	71%	0.712	S	S	.	*			trans	-67.3	124.1	175.3	-86.7	177	179.1	141.2	0	109.4	D665 K669	D665-K667 HydrophobicContact CB-CB 4.38Å; D665-K667 HydrophobicContact CB-CD 4.24Å; D665-K667 HydrophobicContact CB-CG 4.05Å; D665-K667 VanDerWaalsContact CG-CD 3.44Å; D665-K667 VanDerWaalsContact CG-CE 3.46Å; D665-K667 PolarHBondContact O-N 3.43Å; D665-K667 VanDerWaalsContact OD1-CD 3.29Å; D665-K667 WeakPolarHBondContact OD1-CD 3.48Å; D665-K667 WeakPolarHBondContact OD1-CE 3.41Å; D665-K667 WeakPolarHBondContact OD1-CG 3.43Å; D665-K667 IonicContact OD1-NZ 2.76Å; D665-K667 PolarHBondContact OD1-NZ 3.39Å; D665-K667 WeakPolarHBondContact OD2-CD 3.3Å; D665-K667 WeakPolarHBondContact OD2-CE 3.45Å; D665-K667 IonicContact OD2-NZ 3.27Å; D665-K667 PolarHBondContact OD2-NZ 2.88Å; K667-K669 PolarHBondContact O-N 3.49Å
668	S	31.9	Very low	31.1	Very low	60 Å²	60	128.2 Å²	128.2	42%	0.42	72%	0.715	S	S	.	*			trans	-65.1	78.7	160.5	39.4	0	0	0	0	110.2	I666	I666-S668 PolarHBondContact O-N 2.9Å
669	K	32.3	Very low	31.6	Very low	130 Å²	130	129 Å²	129	57%	0.565	71%	0.714	S	S	*	*			trans	-134.4	110.8	161.9	-78.2	-165	176.6	-171.5	0	111.1	K667 T671	K667-K669 PolarHBondContact O-N 3.49Å; K669-T671 VanDerWaalsContact C-N 3.35Å; K669-T671 PolarHBondContact O-N 3.27Å
670	A	34.2	Very low	31.6	Very low	94 Å²	94	128 Å²	128	78%	0.777	71%	0.707	S	S	*	*			trans	-72.7	89.8	155	0	0	0	0	0	108
671	T	30.3	Very low	32.1	Very low	90 Å²	90	129 Å²	129	55%	0.552	72%	0.715	S	S	*	*			trans	-177.8	146.7	158	15.9	0	0	0	0	109.1	K669	K669-T671 VanDerWaalsContact C-N 3.35Å; K669-T671 PolarHBondContact O-N 3.27Å
672	Q	31.4	Very low	33.6	Very low	178 Å²	178	124.5 Å²	124.5	83%	0.832	70%	0.695	S	S	*	*			trans	-79.9	151.7	-150.5	-65.7	177.6	-5.6	0	0	117.2
673	T	30.9	Very low	35.5	Very low	116 Å²	116	124.5 Å²	124.5	71%	0.712	70%	0.695	S	S	*	*			trans	51.4	116.6	137.2	60.2	0	0	0	0	122.5
674	K	30.8	Very low	38	Very low	212 Å²	212	125.6 Å²	125.6	92%	0.922	69%	0.691	S	S	*	*				173.4	124.3	96.5	-97.3	-179.7	-177.7	169.5	0	109.6
675	G	27.7	Very low	40.3	Very low	77 Å²	77	122.2 Å²	122.2	79%	0.794	67%	0.67	S	S	*	*			trans	-168.7	88.4	170.1	0	0	0	0	0	110.7	G677	G675-G677 PolarHBondContact O-N 3.3Å
676	K	34.4	Very low	42.7	Very low	226 Å²	226	120.2 Å²	120.2	98%	0.983	66%	0.664	S	S	*	*			trans	-70.4	104	165.6	-83	-176.9	174.2	178.6	0	107.8
677	G	31.2	Very low	44.8	Very low	62 Å²	62	120.9 Å²	120.9	64%	0.639	66%	0.663	S	S	*	*			trans	-144.9	124.8	171.2	0	0	0	0	0	110.2	G675 Q679	G675-G677 PolarHBondContact O-N 3.3Å; G677-Q679 PolarHBondContact O-N 3.21Å
678	K	35.3	Very low	47.1	Very low	212 Å²	212	115.4 Å²	115.4	92%	0.922	64%	0.639	S	S	*	*			trans	-49	120.7	177.1	-90.6	172.3	166.8	176.4	0	111	T680	K678-T680 PolarHBondContact O-N 3.33Å
679	Q	36.8	Very low	49.8	Very low	165 Å²	165	116.4 Å²	116.4	77%	0.771	64%	0.637	S	S	*	*			trans	-70.2	109.5	170.9	-79	179.5	-5.8	0	0	110	G677	G677-Q679 PolarHBondContact O-N 3.21Å
680	T	34.8	Very low	52.6	Low	128 Å²	128	111.7 Å²	111.7	79%	0.785	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-75	128	156.4	46.5	0	0	0	0	108.1	K678 K682	K678-T680 PolarHBondContact O-N 3.33Å; T680-K682 PolarHBondContact O-N 3.45Å
681	S	45.4	Very low	55.4	Low	117 Å²	117	108.1 Å²	108.1	82%	0.818	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-54.8	119	-179.5	51.9	0	0	0	0	111.3
682	K	58.7	Low	58.2	Low	112 Å²	112	104.7 Å²	104.7	49%	0.487	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-64.4	138.9	173	-69.6	179.9	179.2	177.4	0	109.3	T680 M684 F768	T680-K682 PolarHBondContact O-N 3.45Å; K682-M684 PolarHBondContact O-N 3.22Å; K682-F768 HydrophobicContact CB-CE1 4.12Å; K682-F768 HydrophobicContact CB-CZ 4.37Å; K682-F768 HydrophobicContact CD-CZ 4.19Å
683	P	69.7	Low	60.8	Low	118 Å²	118	99.9 Å²	99.9	77%	0.766	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-61.2	136	174.6	25.5	-32	0	0	0	109.8
684	M	76.9	Confident	63.6	Low	135 Å²	135	100.4 Å²	100.4	67%	0.665	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-70.6	129.3	178.4	-167.8	164.8	73.1	0	0	109.2	K682	K682-M684 PolarHBondContact O-N 3.22Å
685	P	79.5	Confident	66.5	Low	20 Å²	20	90.7 Å²	90.7	13%	0.13	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-57.5	146.5	176.3	-22.4	32.2	0	0	0	111.5	Q689 F691	P685-Q689 HydrophobicContact CB-CB 4.04Å; P685-F691 HydrophobicContact CG-CD1 3.57Å; P685-F691 HydrophobicContact CG-CE1 3.87Å; P685-F691 HydrophobicContact CG-CG 4.09Å
686	S	80.3	Confident	69.7	Low	50 Å²	50	87.6 Å²	87.6	35%	0.35	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-71.5	163.1	174.7	66.3	0	0	0	0	111	M648 G688 Q689	M648-S686 WeakPolarHBondContact CE-OG 3.31Å; S686-G688 PolarHBondContact O-N 3.13Å; S686-Q689 WeakPolarHBondContact O-CB 3.38Å; S686-Q689 PolarHBondContact O-N 3.27Å; S686-Q689 VanDerWaalsContact O-N 3.09Å; S686-Q689 WeakPolarHBondContact OG-CG 3.36Å; S686-Q689 PolarHBondContact OG-NE2 3.23Å; S686-Q689 PolarHBondContact OG-OE1 3.22Å
687	K	79	Confident	72.6	Confident	120 Å²	120	81 Å²	81	52%	0.522	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	132.5	174	-165.1	178.4	-177	-173.1	0	110	W643 F740	W643-K687 HydrophobicContact CZ2-CG 4.22Å; K687-F740 HydrophobicContact CB-CD1 4.43Å; K687-F740 HydrophobicContact CB-CE1 3.97Å; K687-F740 HydrophobicContact CG-CD1 3.99Å; K687-F740 HydrophobicContact CG-CE1 4.02Å
688	G	78.5	Confident	75.6	Confident	1 Å²	1	79.3 Å²	79.3	1%	0.01	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	7.8	-178	0	0	0	0	0	115.2	E646 M648 S686	E646-G688 WeakPolarHBondContact O-CA 3.36Å; M648-G688 PolarHBondContact N-O 3.02Å; S686-G688 PolarHBondContact O-N 3.13Å
689	Q	88.6	Confident	78.5	Confident	81 Å²	81	69.6 Å²	69.6	38%	0.379	39%	0.385	S	S	.	.			trans	-108.3	152.9	170.7	-67	-180	-15.5	0	0	111.5	P685 S686 Q736	P685-Q689 HydrophobicContact CB-CB 4.04Å; S686-Q689 WeakPolarHBondContact O-CB 3.38Å; S686-Q689 PolarHBondContact O-N 3.27Å; S686-Q689 VanDerWaalsContact O-N 3.09Å; S686-Q689 WeakPolarHBondContact OG-CG 3.36Å; S686-Q689 PolarHBondContact OG-NE2 3.23Å; S686-Q689 PolarHBondContact OG-OE1 3.22Å; Q689-Q736 PolarHBondContact O-NE2 3.28Å
690	F	91.4	Very high	81.3	Confident	32 Å²	32	63.9 Å²	63.9	14%	0.14	36%	0.357	C	S	.	.			trans	-84	144.4	175.8	-59.7	-79.8	0	0	0	111.2	W647 N692 L695 K700 V703 E732	W647-F690 HydrophobicContact CD2-CZ 4.37Å; W647-F690 HydrophobicContact CE3-CE1 4Å; W647-F690 AromaticContact CE3-CE2 3.95Å; W647-F690 HydrophobicContact CE3-CE2 3.95Å; W647-F690 AromaticContact CE3-CZ 3.57Å; W647-F690 HydrophobicContact CE3-CZ 3.57Å; W647-F690 HydrophobicContact CH2-CD1 4.4Å; W647-F690 AromaticContact CH2-CE1 3.81Å; W647-F690 HydrophobicContact CH2-CE1 3.81Å; W647-F690 HydrophobicContact CH2-CZ 4.2Å; W647-F690 AromaticContact CZ3-CD1 3.87Å; W647-F690 HydrophobicContact CZ3-CD1 3.87Å; W647-F690 HydrophobicContact CZ3-CD2 4.46Å; W647-F690 AromaticContact CZ3-CE1 3.38Å; W647-F690 HydrophobicContact CZ3-CE1 3.38Å; W647-F690 HydrophobicContact CZ3-CE2 4.04Å; W647-F690 HydrophobicContact CZ3-CG 4.39Å; W647-F690 AromaticContact CZ3-CZ 3.47Å; W647-F690 HydrophobicContact CZ3-CZ 3.47Å; W647-F690 VanDerWaalsContact CZ3-CZ 3.47Å; F690-N692 VanDerWaalsContact C-N 3.33Å; F690-N692 WeakPolarHBondContact CB-O 3.35Å; F690-L695 HydrophobicContact CB-CD1 4.33Å; F690-L695 HydrophobicContact CD1-CD1 4.02Å; F690-L695 HydrophobicContact CG-CD1 4.36Å; F690-K700 HydrophobicContact CD1-CG 4.47Å; F690-K700 HydrophobicContact CD2-CD 4.22Å; F690-K700 HydrophobicContact CD2-CG 4.22Å; F690-K700 HydrophobicContact CE1-CB 4.12Å; F690-K700 HydrophobicContact CE1-CG 4.05Å; F690-K700 HydrophobicContact CE2-CB 4.25Å; F690-K700 HydrophobicContact CE2-CD 3.76Å; F690-K700 HydrophobicContact CE2-CG 3.77Å; F690-K700 HydrophobicContact CZ-CB 3.71Å; F690-K700 HydrophobicContact CZ-CD 4.14Å; F690-K700 HydrophobicContact CZ-CG 3.68Å; F690-V703 HydrophobicContact CD1-CG1 4.17Å; F690-V703 HydrophobicContact CE1-CB 4Å; F690-V703 HydrophobicContact CE1-CG1 3.84Å; F690-E732 WeakPolarHBondContact CA-OE1 3.32Å
691	F	91.1	Very high	84.2	Confident	18 Å²	18	60.5 Å²	60.5	8%	0.079	33%	0.332	C	S	.	.	S	Bend	trans	-71.4	-34.2	172.5	-66.8	-91.1	0	0	0	111.1	P685 E732 L735 Q736 H739 F740 F768	P685-F691 HydrophobicContact CG-CD1 3.57Å; P685-F691 HydrophobicContact CG-CE1 3.87Å; P685-F691 HydrophobicContact CG-CG 4.09Å; F691-E732 WeakPolarHBondContact CB-OE2 3.39Å; F691-E732 PolarHBondContact N-OE1 3.13Å; F691-E732 PolarHBondContact N-OE2 2.91Å; F691-L735 HydrophobicContact CB-CD1 4.16Å; F691-L735 HydrophobicContact CD2-CB 3.74Å; F691-L735 HydrophobicContact CE2-CB 3.92Å; F691-L735 HydrophobicContact CG-CB 4.19Å; F691-L735 HydrophobicContact CG-CD1 4.19Å; F691-L735 HydrophobicContact CZ-CB 4.49Å; F691-Q736 HydrophobicContact CD2-CG 4.15Å; F691-Q736 HydrophobicContact CE2-CG 4.16Å; F691-H739 AromaticContact CE1-CD2 3.61Å; F691-H739 AromaticContact CE1-NE2 4Å; F691-H739 HydrophobicContact CE2-CB 4.48Å; F691-H739 HydrophobicContact CZ-CB 3.84Å; F691-H739 AromaticContact CZ-CD2 3.21Å; F691-H739 WeakPolarHBondContact CZ-CD2 3.44Å; F691-H739 AromaticContact CZ-CG 3.66Å; F691-F740 AromaticContact CE2-CE2 3.91Å; F691-F740 HydrophobicContact CE2-CE2 3.91Å; F691-F740 HydrophobicContact CZ-CE2 4.14Å; F691-F768 HydrophobicContact CB-CD2 4.23Å; F691-F768 HydrophobicContact CB-CE2 4.05Å; F691-F768 HydrophobicContact CD1-CB 4.16Å; F691-F768 AromaticContact CD1-CD1 3.84Å; F691-F768 HydrophobicContact CD1-CD1 3.84Å; F691-F768 AromaticContact CD1-CD2 3.62Å; F691-F768 HydrophobicContact CD1-CD2 3.62Å; F691-F768 HydrophobicContact CD1-CE1 4.06Å; F691-F768 AromaticContact CD1-CE2 3.86Å; F691-F768 HydrophobicContact CD1-CE2 3.86Å; F691-F768 AromaticContact CD1-CG 3.61Å; F691-F768 HydrophobicContact CD1-CG 3.61Å; F691-F768 HydrophobicContact CD1-CZ 4.07Å; F691-F768 HydrophobicContact CE1-CB 4.23Å; F691-F768 HydrophobicContact CE1-CD1 4.08Å; F691-F768 HydrophobicContact CE1-CD2 4.47Å; F691-F768 HydrophobicContact CE1-CG 4.03Å; F691-F768 HydrophobicContact CG-CD2 4.3Å; F691-F768 HydrophobicContact CG-CE2 4.44Å
692	N	90.2	Very high	86.6	Confident	19 Å²	19	55 Å²	55	10%	0.102	29%	0.293	C	S	.	.	S	Bend	trans	-102	110.6	167.7	-176.1	7.3	0	0	0	110.7	F690 D694 L695 E732	F690-N692 VanDerWaalsContact C-N 3.33Å; F690-N692 WeakPolarHBondContact CB-O 3.35Å; N692-D694 VanDerWaalsContact C-N 3.27Å; N692-D694 PolarHBondContact O-N 3.42Å; N692-D694 PolarHBondContact OD1-N 2.96Å; N692-D694 VanDerWaalsContact OD1-N 3.1Å; N692-L695 HydrophobicContact CB-CD1 4.23Å; N692-L695 HydrophobicContact CB-CD2 4.21Å; N692-L695 HydrophobicContact CB-CG 3.92Å; N692-L695 WeakPolarHBondContact ND2-CD2 3.32Å; N692-L695 WeakPolarHBondContact O-CG 3.41Å; N692-E732 PolarHBondContact N-OE2 3.28Å
693	P	86.5	Confident	88.4	Confident	77 Å²	77	49.7 Å²	49.7	50%	0.5	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-24.4	179	29.1	-34.4	0	0	0	112.8	L695	P693-L695 PolarHBondContact O-N 3.29Å
694	D	89.3	Confident	89.6	Confident	127 Å²	127	46.1 Å²	46.1	68%	0.679	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	9.7	-172.9	-57.2	-44	0	0	0	113.7	N692 N696	N692-D694 VanDerWaalsContact C-N 3.27Å; N692-D694 PolarHBondContact O-N 3.42Å; N692-D694 PolarHBondContact OD1-N 2.96Å; N692-D694 VanDerWaalsContact OD1-N 3.1Å; D694-N696 PolarHBondContact O-N 2.94Å
695	L	92.4	Very high	90.4	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.037	22%	0.22	C	C	.	.			trans	-66.2	132.4	178.6	-65.7	175.2	0	0	0	111	F690 N692 P693 Q699 K700 I728 E732	F690-L695 HydrophobicContact CB-CD1 4.33Å; F690-L695 HydrophobicContact CD1-CD1 4.02Å; F690-L695 HydrophobicContact CG-CD1 4.36Å; N692-L695 HydrophobicContact CB-CD1 4.23Å; N692-L695 HydrophobicContact CB-CD2 4.21Å; N692-L695 HydrophobicContact CB-CG 3.92Å; N692-L695 WeakPolarHBondContact ND2-CD2 3.32Å; N692-L695 WeakPolarHBondContact O-CG 3.41Å; P693-L695 PolarHBondContact O-N 3.29Å; L695-Q699 HydrophobicContact CB-CB 4.15Å; L695-Q699 HydrophobicContact CD2-CB 4.07Å; L695-K700 HydrophobicContact CB-CG 3.76Å; L695-K700 WeakPolarHBondContact O-CE 3.13Å; L695-I728 HydrophobicContact CD2-CG2 4.21Å; L695-E732 HydrophobicContact CD1-CB 4.01Å; L695-E732 HydrophobicContact CD1-CG 3.49Å; L695-E732 VanDerWaalsContact CD1-CG 3.49Å
696	N	94.3	Very high	91.2	Very high	12 Å²	12	41.1 Å²	41.1	6%	0.064	21%	0.214	C	C	.	.			trans	-74.7	167	175.2	69.9	54.1	0	0	0	111.5	D694 C698 Q699 K700 Y914 Y916	D694-N696 PolarHBondContact O-N 2.94Å; N696-C698 VanDerWaalsContact C-N 3.32Å; N696-C698 PolarHBondContact O-N 3.47Å; N696-C698 PolarHBondContact OD1-N 3.2Å; N696-C698 VanDerWaalsContact OD1-N 3.14Å; N696-Q699 VanDerWaalsContact N-OE1 3.12Å; N696-Q699 PolarHBondContact ND2-NE2 2.79Å; N696-Q699 PolarHBondContact ND2-OE1 3.45Å; N696-Q699 PolarHBondContact O-N 2.8Å; N696-Q699 WeakPolarHBondContact OD1-CG 3.36Å; N696-Q699 PolarHBondContact OD1-N 2.9Å; N696-K700 PolarHBondContact O-N 3.44Å; N696-Y914 HydrophobicContact CB-CD2 3.79Å; N696-Y914 HydrophobicContact CB-CE2 4.11Å; N696-Y914 VanDerWaalsContact CG-CD2 3.44Å; N696-Y916 PolarHBondContact ND2-OH 2.87Å
697	P	94.6	Very high	91.8	Very high	89 Å²	89	38.9 Å²	38.9	58%	0.578	20%	0.198	S	C	*	.	H	α-helix	trans	-54.8	-41	-176.4	-29.5	36.8	0	0	0	114.7	Q699 K700 E701	P697-Q699 VanDerWaalsContact C-N 3.35Å; P697-Q699 PolarHBondContact O-N 3.46Å; P697-K700 PolarHBondContact O-N 3.03Å; P697-E701 WeakPolarHBondContact O-CB 3.44Å; P697-E701 PolarHBondContact O-N 3.05Å
698	C	94.6	Very high	92.5	Very high	26 Å²	26	34.7 Å²	34.7	18%	0.176	18%	0.181	C	C	.	.	H	α-helix	trans	-66.6	-37.8	178.8	-56.6	0	0	0	0	111.8	N696 A702 T910 L912	N696-C698 VanDerWaalsContact C-N 3.32Å; N696-C698 PolarHBondContact O-N 3.47Å; N696-C698 PolarHBondContact OD1-N 3.2Å; N696-C698 VanDerWaalsContact OD1-N 3.14Å; C698-A702 PolarHBondContact O-N 3.17Å; C698-A702 VanDerWaalsContact O-N 3.07Å; C698-T910 WeakPolarHBondContact O-CG2 3.17Å; C698-L912 HydrophobicContact CB-CD2 3.97Å
699	Q	96.3	Very high	93.1	Very high	8 Å²	8	34.8 Å²	34.8	4%	0.037	18%	0.181	C	C	.	.	H	α-helix	trans	-70	-43.4	176.6	-64.2	172.7	-26.3	0	0	111.3	L695 N696 P697 E701 A702 V703 T724 T729 L912	L695-Q699 HydrophobicContact CB-CB 4.15Å; L695-Q699 HydrophobicContact CD2-CB 4.07Å; N696-Q699 VanDerWaalsContact N-OE1 3.12Å; N696-Q699 PolarHBondContact ND2-NE2 2.79Å; N696-Q699 PolarHBondContact ND2-OE1 3.45Å; N696-Q699 PolarHBondContact O-N 2.8Å; N696-Q699 WeakPolarHBondContact OD1-CG 3.36Å; N696-Q699 PolarHBondContact OD1-N 2.9Å; P697-Q699 VanDerWaalsContact C-N 3.35Å; P697-Q699 PolarHBondContact O-N 3.46Å; Q699-E701 VanDerWaalsContact C-N 3.34Å; Q699-E701 PolarHBondContact O-N 2.99Å; Q699-A702 PolarHBondContact O-N 2.77Å; Q699-V703 VanDerWaalsContact O-CG2 3.3Å; Q699-V703 WeakPolarHBondContact O-CG2 3.19Å; Q699-V703 PolarHBondContact O-N 3.26Å; Q699-V703 VanDerWaalsContact O-N 3.12Å; Q699-T724 PolarHBondContact NE2-O 2.93Å; Q699-T724 VanDerWaalsContact NE2-O 3.13Å; Q699-T729 HydrophobicContact CB-CG2 4.07Å; Q699-T729 HydrophobicContact CG-CG2 4.33Å; Q699-T729 WeakPolarHBondContact CG-OG1 3.38Å; Q699-L912 HydrophobicContact CG-CD1 4.47Å; Q699-L912 HydrophobicContact CG-CD2 3.81Å
700	K	95.6	Very high	93.2	Very high	44 Å²	44	32.2 Å²	32.2	19%	0.191	17%	0.169	C	C	.	.	H	α-helix	trans	-57.6	-48.1	173.9	-72.3	-179.3	171.4	175.6	0	110	E650 F690 L695 N696 P697 A702 V703 K704	E650-K700 IonicContact OE2-NZ 3.95Å; E650-K700 PolarHBondContact OE2-NZ 3.23Å; F690-K700 HydrophobicContact CD1-CG 4.47Å; F690-K700 HydrophobicContact CD2-CD 4.22Å; F690-K700 HydrophobicContact CD2-CG 4.22Å; F690-K700 HydrophobicContact CE1-CB 4.12Å; F690-K700 HydrophobicContact CE1-CG 4.05Å; F690-K700 HydrophobicContact CE2-CB 4.25Å; F690-K700 HydrophobicContact CE2-CD 3.76Å; F690-K700 HydrophobicContact CE2-CG 3.77Å; F690-K700 HydrophobicContact CZ-CB 3.71Å; F690-K700 HydrophobicContact CZ-CD 4.14Å; F690-K700 HydrophobicContact CZ-CG 3.68Å; L695-K700 HydrophobicContact CB-CG 3.76Å; L695-K700 WeakPolarHBondContact O-CE 3.13Å; N696-K700 PolarHBondContact O-N 3.44Å; P697-K700 PolarHBondContact O-N 3.03Å; K700-A702 PolarHBondContact O-N 2.82Å; K700-V703 WeakPolarHBondContact O-CB 3.38Å; K700-V703 PolarHBondContact O-N 3.13Å; K700-V703 VanDerWaalsContact O-N 3.12Å; K700-K704 WeakPolarHBondContact O-CG 3.47Å; K700-K704 PolarHBondContact O-N 2.8Å
701	E	94.6	Very high	93.2	Very high	58 Å²	58	31.2 Å²	31.2	27%	0.271	17%	0.166	S	C	.	.	H	α-helix	trans	-58.4	-45.3	177.9	-175.7	63.9	-175.2	0	0	112.4	P697 Q699 V703 K704 R705	P697-E701 WeakPolarHBondContact O-CB 3.44Å; P697-E701 PolarHBondContact O-N 3.05Å; Q699-E701 VanDerWaalsContact C-N 3.34Å; Q699-E701 PolarHBondContact O-N 2.99Å; E701-V703 VanDerWaalsContact C-N 3.26Å; E701-V703 PolarHBondContact O-N 2.67Å; E701-K704 PolarHBondContact O-N 3.03Å; E701-K704 VanDerWaalsContact O-N 3.14Å; E701-R705 HydrophobicContact CG-CG 4.34Å; E701-R705 VanDerWaalsContact O-CG 3.29Å; E701-R705 WeakPolarHBondContact O-CG 3.2Å; E701-R705 PolarHBondContact O-N 3.18Å; E701-R705 IonicContact OE1-CZ 2.79Å; E701-R705 IonicContact OE1-NE 2.68Å; E701-R705 PolarHBondContact OE1-NE 3.45Å; E701-R705 IonicContact OE1-NH2 2.78Å; E701-R705 PolarHBondContact OE1-NH2 2.7Å
702	A	96.5	Very high	93.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58	-40.4	176.3	0	0	0	0	0	112.5	C698 Q699 K700 V706 Y716 L718 T729 T910	C698-A702 PolarHBondContact O-N 3.17Å; C698-A702 VanDerWaalsContact O-N 3.07Å; Q699-A702 PolarHBondContact O-N 2.77Å; K700-A702 PolarHBondContact O-N 2.82Å; A702-V706 WeakPolarHBondContact O-CG2 3.38Å; A702-V706 PolarHBondContact O-N 2.74Å; A702-Y716 WeakPolarHBondContact CA-OH 3.45Å; A702-L718 HydrophobicContact CB-CD1 3.8Å; A702-T729 HydrophobicContact CB-CG2 4.02Å; A702-T910 HydrophobicContact CB-CG2 3.92Å
703	V	96.1	Very high	93.4	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-63	-47	175.6	174.7	0	0	0	0	111.3	W647 F690 Q699 K700 E701 V706 L707 E732 I733 Q736	W647-V703 HydrophobicContact CH2-CG1 3.87Å; W647-V703 HydrophobicContact CZ2-CG1 4.43Å; F690-V703 HydrophobicContact CD1-CG1 4.17Å; F690-V703 HydrophobicContact CE1-CB 4Å; F690-V703 HydrophobicContact CE1-CG1 3.84Å; Q699-V703 VanDerWaalsContact O-CG2 3.3Å; Q699-V703 WeakPolarHBondContact O-CG2 3.19Å; Q699-V703 PolarHBondContact O-N 3.26Å; Q699-V703 VanDerWaalsContact O-N 3.12Å; K700-V703 WeakPolarHBondContact O-CB 3.38Å; K700-V703 PolarHBondContact O-N 3.13Å; K700-V703 VanDerWaalsContact O-N 3.12Å; E701-V703 VanDerWaalsContact C-N 3.26Å; E701-V703 PolarHBondContact O-N 2.67Å; V703-V706 PolarHBondContact O-N 2.76Å; V703-L707 WeakPolarHBondContact O-CB 3.35Å; V703-L707 PolarHBondContact O-N 2.83Å; V703-E732 HydrophobicContact CG1-CG 4.26Å; V703-E732 HydrophobicContact CG2-CB 4.1Å; V703-E732 HydrophobicContact CG2-CG 3.56Å; V703-I733 HydrophobicContact CB-CG1 4.31Å; V703-I733 HydrophobicContact CG2-CG1 3.72Å; V703-Q736 HydrophobicContact CG1-CB 4.35Å; V703-Q736 HydrophobicContact CG1-CG 3.75Å
704	K	94.6	Very high	93.9	Very high	43 Å²	43	28.4 Å²	28.4	19%	0.187	15%	0.147	C	C	.	.	H	α-helix	trans	-58	-51.6	178.4	-58.5	-167.8	177.3	179.8	0	111	W647 D649 K700 E701 V706 L707 E708	W647-K704 HydrophobicContact CD2-CD 4.2Å; W647-K704 HydrophobicContact CD2-CG 3.99Å; W647-K704 HydrophobicContact CG-CD 3.97Å; W647-K704 HydrophobicContact CG-CG 4.26Å; W647-K704 HydrophobicContact CZ2-CB 4.31Å; W647-K704 HydrophobicContact CZ2-CG 3.89Å; D649-K704 IonicContact OD1-NZ 3.29Å; K700-K704 WeakPolarHBondContact O-CG 3.47Å; K700-K704 PolarHBondContact O-N 2.8Å; E701-K704 PolarHBondContact O-N 3.03Å; E701-K704 VanDerWaalsContact O-N 3.14Å; K704-V706 PolarHBondContact O-N 2.71Å; K704-L707 PolarHBondContact O-N 2.93Å; K704-L707 VanDerWaalsContact O-N 3.17Å; K704-E708 WeakPolarHBondContact O-CB 3.39Å; K704-E708 WeakPolarHBondContact O-CG 3.35Å; K704-E708 PolarHBondContact O-N 2.86Å
705	R	94.8	Very high	94.2	Very high	51 Å²	51	22.4 Å²	22.4	19%	0.192	12%	0.115	C	C	.	.	H	α-helix	trans	-61.8	-42.1	-177.6	-64.6	-64.2	-178.6	167.4	-0.9	113.3	E701 A709 Y716 P906	E701-R705 HydrophobicContact CG-CG 4.34Å; E701-R705 VanDerWaalsContact O-CG 3.29Å; E701-R705 WeakPolarHBondContact O-CG 3.2Å; E701-R705 PolarHBondContact O-N 3.18Å; E701-R705 IonicContact OE1-CZ 2.79Å; E701-R705 IonicContact OE1-NE 2.68Å; E701-R705 PolarHBondContact OE1-NE 3.45Å; E701-R705 IonicContact OE1-NH2 2.78Å; E701-R705 PolarHBondContact OE1-NH2 2.7Å; R705-A709 PolarHBondContact O-N 3Å; R705-Y716 HydrophobicContact CB-CE2 3.61Å; R705-Y716 HydrophobicContact CG-CE2 4.32Å; R705-P906 WeakPolarHBondContact CG-O 3.3Å
706	V	95.3	Very high	94.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-69.7	-39.1	177.1	176	0	0	0	0	110.6	A702 V703 K704 E708 A709 Y716 I733 F834 Q859 V861	A702-V706 WeakPolarHBondContact O-CG2 3.38Å; A702-V706 PolarHBondContact O-N 2.74Å; V703-V706 PolarHBondContact O-N 2.76Å; K704-V706 PolarHBondContact O-N 2.71Å; V706-E708 PolarHBondContact O-N 3.21Å; V706-A709 PolarHBondContact O-N 2.75Å; V706-Y716 HydrophobicContact CG2-CD1 3.5Å; V706-Y716 VanDerWaalsContact CG2-CD1 3.5Å; V706-Y716 HydrophobicContact CG2-CE1 3.59Å; V706-Y716 HydrophobicContact CG2-CG 4.03Å; V706-I733 HydrophobicContact CB-CG2 3.96Å; V706-I733 HydrophobicContact CG1-CG2 3.42Å; V706-I733 VanDerWaalsContact CG1-CG2 3.42Å; V706-I733 HydrophobicContact CG2-CD1 4.2Å; V706-F834 HydrophobicContact CG1-CE1 4.18Å; V706-F834 HydrophobicContact CG1-CZ 4.4Å; V706-Q859 PolarHBondContact O-NE2 3.04Å; V706-Q859 PolarHBondContact O-OE1 3.08Å; V706-V861 HydrophobicContact CG1-CG2 3.87Å; V706-V861 HydrophobicContact CG2-CG2 4.05Å
707	L	94.3	Very high	94.7	Very high	2 Å²	2	22 Å²	22	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-69.5	-34.5	179.2	-161.2	66.8	0	0	0	112.8	W643 W647 V703 K704 Q736 V737 L741	W643-L707 HydrophobicContact CB-CD2 4.2Å; W643-L707 HydrophobicContact CB-CG 3.76Å; W643-L707 WeakPolarHBondContact CB-O 3.06Å; W643-L707 HydrophobicContact CD2-CD2 3.65Å; W643-L707 HydrophobicContact CD2-CG 4.19Å; W643-L707 HydrophobicContact CE3-CD2 4.1Å; W643-L707 HydrophobicContact CG-CD2 3.72Å; W643-L707 HydrophobicContact CG-CG 3.85Å; W643-L707 HydrophobicContact CZ2-CD2 4.46Å; W647-L707 HydrophobicContact CH2-CD2 4.07Å; W647-L707 HydrophobicContact CZ2-CD2 3.77Å; V703-L707 WeakPolarHBondContact O-CB 3.35Å; V703-L707 PolarHBondContact O-N 2.83Å; K704-L707 PolarHBondContact O-N 2.93Å; K704-L707 VanDerWaalsContact O-N 3.17Å; L707-Q736 HydrophobicContact CD1-CB 4.16Å; L707-V737 HydrophobicContact CD1-CG2 4.13Å; L707-L741 HydrophobicContact CD1-CD1 4.02Å; L707-L741 HydrophobicContact CD1-CG 4.08Å
708	E	92.7	Very high	94.9	Very high	33 Å²	33	17.7 Å²	17.7	15%	0.154	8%	0.084	C	C	.	.	H	α-helix	trans	-72.4	-39.2	174.9	-71.8	161.8	-177.9	0	0	112	H641 L642 K704 V706 E710	H641-E708 CarbonylContact C-O 3.54Å; H641-E708 VanDerWaalsContact CA-O 3.28Å; H641-E708 WeakPolarHBondContact CA-O 3.31Å; L642-E708 PolarHBondContact N-O 3.49Å; K704-E708 WeakPolarHBondContact O-CB 3.39Å; K704-E708 WeakPolarHBondContact O-CG 3.35Å; K704-E708 PolarHBondContact O-N 2.86Å; V706-E708 PolarHBondContact O-N 3.21Å; E708-E710 VanDerWaalsContact C-N 3.31Å; E708-E710 HydrophobicContact CB-CG 4.36Å; E708-E710 PolarHBondContact O-N 3.34Å
709	A	91.5	Very high	95	Very high	3 Å²	3	16.7 Å²	16.7	3%	0.025	8%	0.077	C	C	.	.			trans	54.5	39.5	175.5	0	0	0	0	0	114.4	L642 R705 V706 C711 R712 Q859	L642-A709 HydrophobicContact CB-CB 4.41Å; L642-A709 HydrophobicContact CD1-CB 3.64Å; L642-A709 HydrophobicContact CG-CB 3.91Å; R705-A709 PolarHBondContact O-N 3Å; V706-A709 PolarHBondContact O-N 2.75Å; A709-C711 VanDerWaalsContact C-N 3.29Å; A709-C711 PolarHBondContact O-N 2.85Å; A709-R712 WeakPolarHBondContact O-CG 3.1Å; A709-R712 PolarHBondContact O-N 3.17Å; A709-R712 PolarHBondContact O-NH1 3.16Å; A709-Q859 VanDerWaalsContact CB-NE2 3.26Å
710	E	90.7	Very high	95	Very high	27 Å²	27	16.3 Å²	16.3	13%	0.126	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-31.4	-174.6	-73.2	-174.7	-154.4	0	0	114.4	P638 Q639 H641 E708 K907	P638-E710 CarbonylContact C-O 3.55Å; P638-E710 WeakPolarHBondContact CA-O 3.29Å; Q639-E710 PolarHBondContact N-O 3.48Å; H641-E710 IonicContact CE1-OE1 3.05Å; H641-E710 PolarHBondContact CE1-OE1 3.42Å; H641-E710 VanDerWaalsContact NE2-CG 3.34Å; H641-E710 WeakPolarHBondContact NE2-CG 3.33Å; H641-E710 IonicContact NE2-OE1 3.23Å; H641-E710 PolarHBondContact NE2-OE1 2.82Å; E708-E710 VanDerWaalsContact C-N 3.31Å; E708-E710 HydrophobicContact CB-CG 4.36Å; E708-E710 PolarHBondContact O-N 3.34Å; E710-K907 VanDerWaalsContact OE2-CE 3.29Å; E710-K907 WeakPolarHBondContact OE2-CE 3.37Å; E710-K907 IonicContact OE2-NZ 3.28Å; E710-K907 PolarHBondContact OE2-NZ 3.06Å
711	C	92.2	Very high	95	Very high	10 Å²	10	14.2 Å²	14.2	7%	0.068	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	12.6	-172.6	-63.6	0	0	0	0	113.7	V636 A709 L714 K907 L908	V636-C711 HydrophobicContact CG1-CB 4.21Å; V636-C711 WeakPolarHBondContact CG1-SG 3.36Å; A709-C711 VanDerWaalsContact C-N 3.29Å; A709-C711 PolarHBondContact O-N 2.85Å; C711-L714 WeakPolarHBondContact O-CB 3.2Å; C711-L714 WeakPolarHBondContact O-CG 3.41Å; C711-L714 PolarHBondContact O-N 3.06Å; C711-K907 VanDerWaalsContact SG-CB 3.56Å; C711-L908 HydrophobicContact CB-CD2 3.85Å
712	R	92.5	Very high	94.8	Very high	21 Å²	21	11.7 Å²	11.7	8%	0.079	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	144.3	175.2	70.1	-174	-176.5	-88.5	1.6	110.3	Q639 T640 A709 D857	Q639-R712 HydrophobicContact CB-CG 4.12Å; Q639-R712 HydrophobicContact CG-CG 3.95Å; Q639-R712 WeakPolarHBondContact CG-O 3.42Å; T640-R712 PolarHBondContact O-NH1 3.17Å; T640-R712 PolarHBondContact O-NH2 3.31Å; A709-R712 WeakPolarHBondContact O-CG 3.1Å; A709-R712 PolarHBondContact O-N 3.17Å; A709-R712 PolarHBondContact O-NH1 3.16Å; R712-D857 WeakPolarHBondContact CD-O 3.47Å
713	P	92.6	Very high	94.6	Very high	19 Å²	19	12.3 Å²	12.3	12%	0.123	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	cis	-87.5	10.5	6.4	40.3	-43.6	0	0	0	114.7	I630 E855 G858	I630-P713 HydrophobicContact CD1-CB 3.77Å; I630-P713 HydrophobicContact CD1-CG 3.96Å; I630-P713 HydrophobicContact CG1-CB 3.92Å; I630-P713 HydrophobicContact CG1-CG 3.72Å; P713-E855 VanDerWaalsContact CG-O 3.29Å; P713-E855 WeakPolarHBondContact CG-O 3.18Å; P713-G858 VanDerWaalsContact CA-O 3.28Å; P713-G858 WeakPolarHBondContact CA-O 3.47Å
714	L	95.8	Very high	94.5	Very high	15 Å²	15	12.3 Å²	12.3	8%	0.079	6%	0.061	C	C	.	.	S	Bend	trans	-61.8	137.8	-178	-58.2	-174.4	0	0	0	110.8	E629 P633 V636 C711 Y716 L908	E629-L714 WeakPolarHBondContact O-CD2 3.35Å; P633-L714 HydrophobicContact CB-CD1 4.42Å; P633-L714 HydrophobicContact CB-CD2 3.85Å; V636-L714 HydrophobicContact CG2-CD1 4.29Å; C711-L714 WeakPolarHBondContact O-CB 3.2Å; C711-L714 WeakPolarHBondContact O-CG 3.41Å; C711-L714 PolarHBondContact O-N 3.06Å; L714-Y716 PolarHBondContact O-N 2.83Å; L714-L908 HydrophobicContact CB-CD2 4.08Å; L714-L908 HydrophobicContact CD1-CD2 4.2Å
715	P	96.9	Very high	94.4	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.006	6%	0.062	C	C	.	.	P	Polyproline II helix	trans	-61	125.8	179.5	-25	35.6	0	0	0	112.1	I630 I860 L862 L891 Y897	I630-P715 HydrophobicContact CG2-CG 4.02Å; P715-I860 HydrophobicContact CB-CB 4.36Å; P715-I860 HydrophobicContact CB-CG2 4.04Å; P715-I860 HydrophobicContact CG-CD1 4.47Å; P715-I860 HydrophobicContact CG-CG2 4.32Å; P715-L862 HydrophobicContact CB-CD1 3.94Å; P715-L862 HydrophobicContact CB-CG 4.17Å; P715-L891 HydrophobicContact CB-CD1 3.89Å; P715-L891 HydrophobicContact CG-CD1 3.91Å; P715-Y897 VanDerWaalsContact O-CE1 3.23Å; P715-Y897 WeakPolarHBondContact O-CE1 3.24Å; P715-Y897 PolarHBondContact O-OH 3.41Å
716	Y	97.9	Very high	94.3	Very high	10 Å²	10	9.6 Å²	9.6	4%	0.039	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	127.7	170	-177.4	-89.1	0	0	0	110	A702 R705 V706 L714 I860 V861 L862 K907 L908 T910	A702-Y716 WeakPolarHBondContact CA-OH 3.45Å; R705-Y716 HydrophobicContact CB-CE2 3.61Å; R705-Y716 HydrophobicContact CG-CE2 4.32Å; V706-Y716 HydrophobicContact CG2-CD1 3.5Å; V706-Y716 VanDerWaalsContact CG2-CD1 3.5Å; V706-Y716 HydrophobicContact CG2-CE1 3.59Å; V706-Y716 HydrophobicContact CG2-CG 4.03Å; L714-Y716 PolarHBondContact O-N 2.83Å; Y716-I860 PolarHBondContact N-O 2.93Å; Y716-V861 HydrophobicContact CD1-CG1 4.3Å; Y716-V861 CarbonylContact O-C 3.59Å; Y716-V861 VanDerWaalsContact O-CA 3.32Å; Y716-V861 WeakPolarHBondContact O-CA 3.2Å; Y716-L862 PolarHBondContact O-N 3.42Å; Y716-K907 WeakPolarHBondContact CD2-O 3.25Å; Y716-L908 CarbonylContact C-O 3.52Å; Y716-T910 WeakPolarHBondContact OH-CB 3.21Å; Y716-T910 PolarHBondContact OH-OG1 3.31Å
717	V	98.4	Very high	94.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	117	-179.1	175.6	0	0	0	0	111	F719 L862 L888 M892 Y897 L908 V909 T910	V717-F719 HydrophobicContact CG1-CB 4.22Å; V717-F719 PolarHBondContact O-N 3.42Å; V717-L862 CarbonylContact C-O 3.57Å; V717-L862 WeakPolarHBondContact CA-O 3.43Å; V717-L862 HydrophobicContact CG2-CB 4.49Å; V717-L888 HydrophobicContact CB-CD1 4.31Å; V717-L888 HydrophobicContact CG1-CD1 3.44Å; V717-L888 VanDerWaalsContact CG1-CD1 3.44Å; V717-L888 HydrophobicContact CG2-CD1 3.9Å; V717-M892 HydrophobicContact CB-SD 4.43Å; V717-M892 HydrophobicContact CG1-SD 3.86Å; V717-M892 HydrophobicContact CG2-SD 4.49Å; V717-Y897 HydrophobicContact CG2-CD1 3.88Å; V717-Y897 HydrophobicContact CG2-CE1 3.87Å; V717-L908 PolarHBondContact N-O 3.25Å; V717-V909 HydrophobicContact CB-CG1 4.35Å; V717-V909 HydrophobicContact CB-CG2 4.17Å; V717-V909 HydrophobicContact CG1-CG1 4.28Å; V717-V909 WeakPolarHBondContact O-CA 3.4Å; V717-T910 PolarHBondContact O-N 2.91Å
718	L	98.3	Very high	94.1	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	90.7	164.6	-179	63.9	0	0	0	108.5	A702 G720 T729 L862 A863 G864 L912	A702-L718 HydrophobicContact CB-CD1 3.8Å; L718-G720 PolarHBondContact O-N 3.15Å; L718-T729 HydrophobicContact CD1-CG2 4.29Å; L718-T729 HydrophobicContact CD2-CG2 4.07Å; L718-L862 PolarHBondContact N-O 2.84Å; L718-A863 HydrophobicContact CB-CB 4.05Å; L718-A863 HydrophobicContact CD2-CB 4.13Å; L718-A863 HydrophobicContact CG-CB 4.47Å; L718-A863 WeakPolarHBondContact O-CA 3.47Å; L718-G864 PolarHBondContact O-N 3.5Å; L718-G864 VanDerWaalsContact O-N 3.14Å; L718-L912 HydrophobicContact CD1-CD1 4.13Å; L718-L912 HydrophobicContact CD1-CD2 3.98Å; L718-L912 HydrophobicContact CD1-CG 3.97Å
719	F	97.6	Very high	94.3	Very high	5 Å²	5	10.8 Å²	10.8	2%	0.022	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	104	177.4	179	-172.5	0	0	0	109.2	V717 P721 D865 P866 M892 V909 T910 K911 L912 Y931	V717-F719 HydrophobicContact CG1-CB 4.22Å; V717-F719 PolarHBondContact O-N 3.42Å; F719-P721 HydrophobicContact CD2-CG 4.49Å; F719-P721 HydrophobicContact CE2-CG 4.01Å; F719-D865 WeakPolarHBondContact CE2-OD1 3.41Å; F719-P866 HydrophobicContact CD2-CG 4.34Å; F719-P866 HydrophobicContact CE1-CG 4.37Å; F719-P866 HydrophobicContact CE2-CG 4.09Å; F719-P866 HydrophobicContact CZ-CG 4.08Å; F719-M892 HydrophobicContact CD1-CE 3.87Å; F719-M892 HydrophobicContact CE1-CE 4.34Å; F719-V909 HydrophobicContact CB-CG1 4.24Å; F719-T910 PolarHBondContact N-O 3.17Å; F719-K911 HydrophobicContact CB-CB 4.43Å; F719-K911 HydrophobicContact CD1-CB 4.23Å; F719-K911 HydrophobicContact CD1-CD 4Å; F719-K911 HydrophobicContact CD1-CG 3.92Å; F719-K911 HydrophobicContact CE1-CD 3.96Å; F719-K911 HydrophobicContact CE1-CG 4.3Å; F719-K911 HydrophobicContact CG-CG 4.2Å; F719-K911 CarbonylContact O-C 2.9Å; F719-K911 VanDerWaalsContact O-CA 3.24Å; F719-K911 WeakPolarHBondContact O-CA 3.16Å; F719-L912 PolarHBondContact O-N 2.91Å; F719-Y931 HydrophobicContact CE2-CD1 4.32Å; F719-Y931 AromaticContact CE2-CE1 3.98Å; F719-Y931 HydrophobicContact CE2-CE1 3.98Å; F719-Y931 AromaticContact CZ-CD1 3.94Å; F719-Y931 HydrophobicContact CZ-CD1 3.94Å; F719-Y931 AromaticContact CZ-CE1 3.98Å; F719-Y931 HydrophobicContact CZ-CE1 3.98Å
720	G	95.4	Very high	94.6	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.063	C	C	.	.			trans	-119.7	107.7	174.7	0	0	0	0	0	113.3	L718 T724 K726 G864	L718-G720 PolarHBondContact O-N 3.15Å; G720-T724 WeakPolarHBondContact CA-OG1 3.38Å; G720-K726 VanDerWaalsContact CA-CG 3.42Å; G720-K726 WeakPolarHBondContact O-CD 3.45Å; G720-K726 WeakPolarHBondContact O-CE 3.37Å; G720-K726 PolarHBondContact O-NZ 2.96Å; G720-G864 PolarHBondContact N-O 3.36Å
721	P	95.4	Very high	94.9	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.06	C	C	.	.			trans	-48.6	163.6	162.4	-26.6	35.1	0	0	0	112.9	F719 G723 T724 D865 L912 Y931 L935	F719-P721 HydrophobicContact CD2-CG 4.49Å; F719-P721 HydrophobicContact CE2-CG 4.01Å; P721-G723 PolarHBondContact O-N 3.04Å; P721-T724 HydrophobicContact CB-CG2 3.88Å; P721-T724 HydrophobicContact CG-CG2 4.36Å; P721-T724 WeakPolarHBondContact O-CB 3.22Å; P721-T724 WeakPolarHBondContact O-CG2 3.4Å; P721-T724 PolarHBondContact O-N 3.31Å; P721-T724 PolarHBondContact O-OG1 3.45Å; P721-D865 WeakPolarHBondContact CA-OD2 3.28Å; P721-L912 WeakPolarHBondContact CD-O 3.47Å; P721-Y931 HydrophobicContact CB-CD1 3.97Å; P721-Y931 HydrophobicContact CB-CE1 3.69Å; P721-Y931 HydrophobicContact CB-CE2 4.32Å; P721-Y931 HydrophobicContact CB-CG 4.38Å; P721-Y931 HydrophobicContact CG-CD1 3.64Å; P721-Y931 HydrophobicContact CG-CE1 3.7Å; P721-Y931 HydrophobicContact CG-CG 4.29Å; P721-L935 HydrophobicContact CB-CD1 4.03Å; P721-L935 HydrophobicContact CB-CD2 3.74Å; P721-L935 HydrophobicContact CG-CD2 3.63Å
722	P	91.8	Very high	95.1	Very high	4 Å²	4	9.8 Å²	9.8	3%	0.026	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	142.2	-177.4	14.6	-16.4	0	0	0	111.2	T724 D865 Q868 N915 Y931 T1082	P722-T724 VanDerWaalsContact C-N 3.28Å; P722-T724 PolarHBondContact O-N 3.44Å; P722-D865 WeakPolarHBondContact CD-OD2 3.37Å; P722-Q868 VanDerWaalsContact CG-NE2 3.33Å; P722-N915 PolarHBondContact O-ND2 3.4Å; P722-Y931 WeakPolarHBondContact CD-OH 3.46Å; P722-T1082 VanDerWaalsContact CG-CB 3.5Å; P722-T1082 HydrophobicContact CG-CG2 3.69Å; P722-T1082 WeakPolarHBondContact CG-OG1 3.32Å
723	G	91.3	Very high	95.3	Very high	14 Å²	14	8.9 Å²	8.9	14%	0.144	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	5.7	178.3	0	0	0	0	0	116.3	P721 Y916	P721-G723 PolarHBondContact O-N 3.04Å; G723-Y916 PolarHBondContact O-N 2.87Å
724	T	94.4	Very high	95.5	Very high	1 Å²	1	8 Å²	8	1%	0.006	5%	0.049	C	C	.	.	S	Bend	trans	-87.5	0.8	-174.6	59	0	0	0	0	115.9	Q699 G720 P721 P722 L912 Y914	Q699-T724 PolarHBondContact NE2-O 2.93Å; Q699-T724 VanDerWaalsContact NE2-O 3.13Å; G720-T724 WeakPolarHBondContact CA-OG1 3.38Å; P721-T724 HydrophobicContact CB-CG2 3.88Å; P721-T724 HydrophobicContact CG-CG2 4.36Å; P721-T724 WeakPolarHBondContact O-CB 3.22Å; P721-T724 WeakPolarHBondContact O-CG2 3.4Å; P721-T724 PolarHBondContact O-N 3.31Å; P721-T724 PolarHBondContact O-OG1 3.45Å; P722-T724 VanDerWaalsContact C-N 3.28Å; P722-T724 PolarHBondContact O-N 3.44Å; T724-L912 HydrophobicContact CG2-CB 4.33Å; T724-Y914 VanDerWaalsContact CA-O 3.25Å; T724-Y914 WeakPolarHBondContact CA-O 3.4Å
725	G	92.6	Very high	95.5	Very high	19 Å²	19	7.5 Å²	7.5	20%	0.196	5%	0.046	C	C	.	.			trans	81.5	26.7	178.6	0	0	0	0	0	115.1	T727 I728 T729	G725-T727 PolarHBondContact O-N 2.95Å; G725-I728 WeakPolarHBondContact O-CB 3.24Å; G725-I728 PolarHBondContact O-N 3Å; G725-T729 PolarHBondContact O-N 3.49Å; G725-T729 PolarHBondContact O-OG1 2.82Å
726	K	93.6	Very high	95.4	Very high	18 Å²	18	7.5 Å²	7.5	8%	0.078	5%	0.046	C	C	.	.	H	α-helix	trans	-41	-60.8	173.2	-76	-163.3	-63.6	-71.5	0	113.4	G720 I728 T729 L730 L912	G720-K726 VanDerWaalsContact CA-CG 3.42Å; G720-K726 WeakPolarHBondContact O-CD 3.45Å; G720-K726 WeakPolarHBondContact O-CE 3.37Å; G720-K726 PolarHBondContact O-NZ 2.96Å; K726-I728 VanDerWaalsContact C-N 3.28Å; K726-I728 PolarHBondContact O-N 3.35Å; K726-T729 WeakPolarHBondContact O-CB 3.46Å; K726-T729 PolarHBondContact O-N 3.15Å; K726-T729 VanDerWaalsContact O-N 3.1Å; K726-L730 PolarHBondContact O-N 2.9Å; K726-L912 HydrophobicContact CG-CD1 4.28Å
727	T	92	Very high	95.3	Very high	18 Å²	18	7 Å²	7	11%	0.11	5%	0.045	C	C	.	.	H	α-helix	trans	-63.2	-34.4	-176.5	-47.5	0	0	0	0	111.7	G725 L730 I731 L758 I759 D836	G725-T727 PolarHBondContact O-N 2.95Å; T727-L730 PolarHBondContact O-N 3.23Å; T727-I731 VanDerWaalsContact O-CG1 3.25Å; T727-I731 WeakPolarHBondContact O-CG1 3.18Å; T727-I731 PolarHBondContact O-N 2.86Å; T727-L758 HydrophobicContact CG2-CD2 4.42Å; T727-I759 HydrophobicContact CG2-CG1 3.98Å; T727-D836 PolarHBondContact OG1-OD2 2.99Å
728	I	93.6	Very high	95.1	Very high	41 Å²	41	8.2 Å²	8.2	21%	0.21	5%	0.049	C	C	.	.	H	α-helix	trans	-64.3	-45	175.5	-61.8	-179.9	0	0	0	110.2	L695 G725 K726 L730 I731 E732 R762	L695-I728 HydrophobicContact CD2-CG2 4.21Å; G725-I728 WeakPolarHBondContact O-CB 3.24Å; G725-I728 PolarHBondContact O-N 3Å; K726-I728 VanDerWaalsContact C-N 3.28Å; K726-I728 PolarHBondContact O-N 3.35Å; I728-L730 VanDerWaalsContact C-N 3.31Å; I728-L730 PolarHBondContact O-N 3.26Å; I728-I731 PolarHBondContact O-N 2.93Å; I728-E732 PolarHBondContact O-N 2.92Å; I728-R762 VanDerWaalsContact CG1-NH1 3.26Å
729	T	96.7	Very high	94.8	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60.6	-43.2	176.3	-45.2	0	0	0	0	110.7	Q699 A702 L718 G725 K726 I731 E732 I733	Q699-T729 HydrophobicContact CB-CG2 4.07Å; Q699-T729 HydrophobicContact CG-CG2 4.33Å; Q699-T729 WeakPolarHBondContact CG-OG1 3.38Å; A702-T729 HydrophobicContact CB-CG2 4.02Å; L718-T729 HydrophobicContact CD1-CG2 4.29Å; L718-T729 HydrophobicContact CD2-CG2 4.07Å; G725-T729 PolarHBondContact O-N 3.49Å; G725-T729 PolarHBondContact O-OG1 2.82Å; K726-T729 WeakPolarHBondContact O-CB 3.46Å; K726-T729 PolarHBondContact O-N 3.15Å; K726-T729 VanDerWaalsContact O-N 3.1Å; T729-I731 PolarHBondContact O-N 3.41Å; T729-E732 WeakPolarHBondContact O-CB 3.23Å; T729-E732 PolarHBondContact O-N 3.07Å; T729-I733 HydrophobicContact CG2-CD1 4.08Å; T729-I733 WeakPolarHBondContact O-CD1 3.42Å; T729-I733 VanDerWaalsContact O-CG1 3.23Å; T729-I733 WeakPolarHBondContact O-CG1 3.49Å; T729-I733 PolarHBondContact O-N 3.36Å
730	L	96.8	Very high	94.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-63.4	-41.1	177	-162.3	70.4	0	0	0	112.2	K726 T727 I728 I733 I734 I759 F834 D836 V861 A863	K726-L730 PolarHBondContact O-N 2.9Å; T727-L730 PolarHBondContact O-N 3.23Å; I728-L730 VanDerWaalsContact C-N 3.31Å; I728-L730 PolarHBondContact O-N 3.26Å; L730-I733 PolarHBondContact O-N 3.32Å; L730-I734 HydrophobicContact CG-CD1 4.11Å; L730-I734 WeakPolarHBondContact O-CD1 3.47Å; L730-I734 VanDerWaalsContact O-CG1 3.24Å; L730-I734 WeakPolarHBondContact O-CG1 3.32Å; L730-I734 PolarHBondContact O-N 2.93Å; L730-I759 HydrophobicContact CD2-CD1 4.13Å; L730-F834 HydrophobicContact CD1-CB 4.29Å; L730-F834 HydrophobicContact CD1-CD1 3.58Å; L730-F834 HydrophobicContact CD1-CE1 4.37Å; L730-F834 HydrophobicContact CD1-CG 4.3Å; L730-D836 HydrophobicContact CD2-CB 3.72Å; L730-V861 HydrophobicContact CD1-CG1 4.38Å; L730-A863 HydrophobicContact CD1-CB 4.29Å
731	I	96.6	Very high	94.4	Very high	15 Å²	15	12.9 Å²	12.9	8%	0.077	7%	0.071	C	C	.	.	H	α-helix	trans	-60.2	-47.7	174.4	-67.5	-34.8	0	0	0	110.7	T727 I728 T729 I733 I734 L735 I759 R762 L763	T727-I731 VanDerWaalsContact O-CG1 3.25Å; T727-I731 WeakPolarHBondContact O-CG1 3.18Å; T727-I731 PolarHBondContact O-N 2.86Å; I728-I731 PolarHBondContact O-N 2.93Å; T729-I731 PolarHBondContact O-N 3.41Å; I731-I733 VanDerWaalsContact C-N 3.34Å; I731-I733 PolarHBondContact O-N 3Å; I731-I734 PolarHBondContact O-N 3.35Å; I731-L735 HydrophobicContact CG2-CD1 4.07Å; I731-L735 HydrophobicContact CG2-CG 4.42Å; I731-L735 WeakPolarHBondContact O-CG 3.3Å; I731-L735 PolarHBondContact O-N 2.81Å; I731-I759 HydrophobicContact CD1-CB 4.39Å; I731-I759 HydrophobicContact CD1-CG2 3.84Å; I731-R762 HydrophobicContact CD1-CB 4.19Å; I731-R762 HydrophobicContact CG1-CB 3.75Å; I731-L763 HydrophobicContact CD1-CD2 3.93Å; I731-L763 HydrophobicContact CD1-CG 3.79Å; I731-L763 HydrophobicContact CG2-CD2 4.11Å
732	E	96.3	Very high	94	Very high	5 Å²	5	17.9 Å²	17.9	2%	0.023	10%	0.103	C	C	.	.	H	α-helix	trans	-56.1	-50.5	176.2	179.3	70.5	-157.4	0	0	110.8	F690 F691 N692 L695 V703 I728 T729 I734 L735 Q736	F690-E732 WeakPolarHBondContact CA-OE1 3.32Å; F691-E732 WeakPolarHBondContact CB-OE2 3.39Å; F691-E732 PolarHBondContact N-OE1 3.13Å; F691-E732 PolarHBondContact N-OE2 2.91Å; N692-E732 PolarHBondContact N-OE2 3.28Å; L695-E732 HydrophobicContact CD1-CB 4.01Å; L695-E732 HydrophobicContact CD1-CG 3.49Å; L695-E732 VanDerWaalsContact CD1-CG 3.49Å; V703-E732 HydrophobicContact CG1-CG 4.26Å; V703-E732 HydrophobicContact CG2-CB 4.1Å; V703-E732 HydrophobicContact CG2-CG 3.56Å; I728-E732 PolarHBondContact O-N 2.92Å; T729-E732 WeakPolarHBondContact O-CB 3.23Å; T729-E732 PolarHBondContact O-N 3.07Å; E732-I734 VanDerWaalsContact C-N 3.32Å; E732-I734 PolarHBondContact O-N 3.16Å; E732-L735 PolarHBondContact O-N 2.96Å; E732-L735 VanDerWaalsContact O-N 3.14Å; E732-Q736 HydrophobicContact CG-CG 4.18Å; E732-Q736 WeakPolarHBondContact O-CG 3.41Å; E732-Q736 PolarHBondContact O-N 3.16Å; E732-Q736 PolarHBondContact OE1-NE2 2.7Å
733	I	97.2	Very high	93.9	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-56.1	-46.7	179.7	-69.3	164.5	0	0	0	111	V703 V706 T729 L730 I731 L735 Q736 V737 F834	V703-I733 HydrophobicContact CB-CG1 4.31Å; V703-I733 HydrophobicContact CG2-CG1 3.72Å; V706-I733 HydrophobicContact CB-CG2 3.96Å; V706-I733 HydrophobicContact CG1-CG2 3.42Å; V706-I733 VanDerWaalsContact CG1-CG2 3.42Å; V706-I733 HydrophobicContact CG2-CD1 4.2Å; T729-I733 HydrophobicContact CG2-CD1 4.08Å; T729-I733 WeakPolarHBondContact O-CD1 3.42Å; T729-I733 VanDerWaalsContact O-CG1 3.23Å; T729-I733 WeakPolarHBondContact O-CG1 3.49Å; T729-I733 PolarHBondContact O-N 3.36Å; L730-I733 PolarHBondContact O-N 3.32Å; I731-I733 VanDerWaalsContact C-N 3.34Å; I731-I733 PolarHBondContact O-N 3Å; I733-L735 VanDerWaalsContact C-N 3.33Å; I733-L735 PolarHBondContact O-N 3.44Å; I733-Q736 PolarHBondContact O-N 2.76Å; I733-V737 HydrophobicContact CG2-CG2 4.41Å; I733-V737 WeakPolarHBondContact O-CB 3.28Å; I733-V737 WeakPolarHBondContact O-CG2 3.34Å; I733-V737 PolarHBondContact O-N 3.34Å; I733-F834 HydrophobicContact CG2-CE1 3.45Å; I733-F834 VanDerWaalsContact CG2-CE1 3.45Å; I733-F834 HydrophobicContact CG2-CZ 3.8Å
734	I	97.3	Very high	94	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62	-41.7	179.4	-68.8	160	0	0	0	111	L730 I731 E732 Y738 V748 L763 I809 F834	L730-I734 HydrophobicContact CG-CD1 4.11Å; L730-I734 WeakPolarHBondContact O-CD1 3.47Å; L730-I734 VanDerWaalsContact O-CG1 3.24Å; L730-I734 WeakPolarHBondContact O-CG1 3.32Å; L730-I734 PolarHBondContact O-N 2.93Å; I731-I734 PolarHBondContact O-N 3.35Å; E732-I734 VanDerWaalsContact C-N 3.32Å; E732-I734 PolarHBondContact O-N 3.16Å; I734-Y738 VanDerWaalsContact O-CB 3.27Å; I734-Y738 WeakPolarHBondContact O-CB 3.27Å; I734-Y738 PolarHBondContact O-N 2.75Å; I734-V748 HydrophobicContact CD1-CG1 4.34Å; I734-V748 HydrophobicContact CD1-CG2 3.68Å; I734-V748 HydrophobicContact CG1-CG2 4.27Å; I734-L763 HydrophobicContact CB-CD2 4.25Å; I734-L763 HydrophobicContact CG2-CD1 4.47Å; I734-L763 HydrophobicContact CG2-CD2 3.81Å; I734-I809 HydrophobicContact CG2-CD1 3.86Å; I734-I809 HydrophobicContact CG2-CG1 4.43Å; I734-I809 HydrophobicContact CG2-CG2 4.33Å; I734-F834 HydrophobicContact CG1-CD2 4.34Å; I734-F834 HydrophobicContact CG1-CE2 4.35Å
735	L	95.6	Very high	94.1	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-64.6	-43.3	177.2	-68.7	175.4	0	0	0	111.5	F691 I731 E732 I733 Y738 H739 L763 F768 L769	F691-L735 HydrophobicContact CB-CD1 4.16Å; F691-L735 HydrophobicContact CD2-CB 3.74Å; F691-L735 HydrophobicContact CE2-CB 3.92Å; F691-L735 HydrophobicContact CG-CB 4.19Å; F691-L735 HydrophobicContact CG-CD1 4.19Å; F691-L735 HydrophobicContact CZ-CB 4.49Å; I731-L735 HydrophobicContact CG2-CD1 4.07Å; I731-L735 HydrophobicContact CG2-CG 4.42Å; I731-L735 WeakPolarHBondContact O-CG 3.3Å; I731-L735 PolarHBondContact O-N 2.81Å; E732-L735 PolarHBondContact O-N 2.96Å; E732-L735 VanDerWaalsContact O-N 3.14Å; I733-L735 VanDerWaalsContact C-N 3.33Å; I733-L735 PolarHBondContact O-N 3.44Å; L735-Y738 PolarHBondContact O-N 3.21Å; L735-H739 WeakPolarHBondContact O-CB 3.45Å; L735-H739 PolarHBondContact O-CD2 3.14Å; L735-H739 VanDerWaalsContact O-CD2 3.27Å; L735-H739 PolarHBondContact O-N 3.09Å; L735-L763 HydrophobicContact CD2-CD2 4.4Å; L735-F768 HydrophobicContact CD1-CD2 4.21Å; L735-F768 HydrophobicContact CD2-CB 4.09Å; L735-L769 HydrophobicContact CD2-CD1 4.44Å; L735-L769 HydrophobicContact CD2-CD2 3.77Å; L735-L769 HydrophobicContact CD2-CG 3.86Å
736	Q	95.2	Very high	94.4	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-61.2	-48.1	177	-67.7	-76.5	-12.3	0	0	111.4	Q689 F691 V703 L707 E732 I733 Y738 H739 F740	Q689-Q736 PolarHBondContact O-NE2 3.28Å; F691-Q736 HydrophobicContact CD2-CG 4.15Å; F691-Q736 HydrophobicContact CE2-CG 4.16Å; V703-Q736 HydrophobicContact CG1-CB 4.35Å; V703-Q736 HydrophobicContact CG1-CG 3.75Å; L707-Q736 HydrophobicContact CD1-CB 4.16Å; E732-Q736 HydrophobicContact CG-CG 4.18Å; E732-Q736 WeakPolarHBondContact O-CG 3.41Å; E732-Q736 PolarHBondContact O-N 3.16Å; E732-Q736 PolarHBondContact OE1-NE2 2.7Å; I733-Q736 PolarHBondContact O-N 2.76Å; Q736-Y738 VanDerWaalsContact C-N 3.35Å; Q736-Y738 PolarHBondContact O-N 3.36Å; Q736-H739 PolarHBondContact O-N 3.35Å; Q736-F740 HydrophobicContact CB-CD2 4.48Å; Q736-F740 WeakPolarHBondContact O-CB 3.47Å; Q736-F740 WeakPolarHBondContact O-CD2 3.49Å; Q736-F740 PolarHBondContact O-N 2.89Å
737	V	95.4	Very high	94.6	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-62.5	-40.3	176.2	168.6	0	0	0	0	111.7	L707 I733 L741 S744 V746 F834	L707-V737 HydrophobicContact CD1-CG2 4.13Å; I733-V737 HydrophobicContact CG2-CG2 4.41Å; I733-V737 WeakPolarHBondContact O-CB 3.28Å; I733-V737 WeakPolarHBondContact O-CG2 3.34Å; I733-V737 PolarHBondContact O-N 3.34Å; V737-L741 HydrophobicContact CG1-CD1 4.29Å; V737-L741 HydrophobicContact CG2-CD1 4.31Å; V737-L741 WeakPolarHBondContact O-CB 3.42Å; V737-L741 PolarHBondContact O-N 3.33Å; V737-S744 PolarHBondContact O-OG 3.16Å; V737-V746 HydrophobicContact CG1-CG2 3.75Å; V737-F834 HydrophobicContact CG2-CZ 4.38Å
738	Y	94.5	Very high	94.9	Very high	24 Å²	24	24 Å²	24	9%	0.094	13%	0.129	C	C	.	.	H	α-helix	trans	-67.6	-40.9	178.2	171.9	-95.4	0	0	0	112.4	I734 L735 Q736 L769 S773 R808 I809	I734-Y738 VanDerWaalsContact O-CB 3.27Å; I734-Y738 WeakPolarHBondContact O-CB 3.27Å; I734-Y738 PolarHBondContact O-N 2.75Å; L735-Y738 PolarHBondContact O-N 3.21Å; Q736-Y738 VanDerWaalsContact C-N 3.35Å; Q736-Y738 PolarHBondContact O-N 3.36Å; Y738-L769 HydrophobicContact CD1-CD2 3.55Å; Y738-L769 HydrophobicContact CD2-CD2 4.33Å; Y738-L769 HydrophobicContact CE1-CD2 3.69Å; Y738-L769 HydrophobicContact CE2-CD2 4.42Å; Y738-L769 HydrophobicContact CG-CD2 3.89Å; Y738-S773 WeakPolarHBondContact OH-CB 3.32Å; Y738-S773 PolarHBondContact OH-OG 2.88Å; Y738-R808 HydrophobicContact CD2-CB 4.27Å; Y738-R808 HydrophobicContact CD2-CG 4.08Å; Y738-R808 HydrophobicContact CE2-CB 4.11Å; Y738-R808 HydrophobicContact CE2-CG 4.25Å; Y738-R808 PolarHBondContact O-NH1 2.82Å; Y738-R808 PolarHBondContact O-NH2 2.83Å; Y738-I809 HydrophobicContact CD2-CD1 3.85Å; Y738-I809 HydrophobicContact CD2-CG1 4.1Å; Y738-I809 HydrophobicContact CG-CD1 4.08Å
739	H	91.7	Very high	95.1	Very high	52 Å²	52	22.1 Å²	22.1	24%	0.241	12%	0.119	C	C	.	.	H	α-helix	trans	-84.2	-35.9	-176.6	-78.2	-70	0	0	0	113.4	F691 L735 Q736 F768	F691-H739 AromaticContact CE1-CD2 3.61Å; F691-H739 AromaticContact CE1-NE2 4Å; F691-H739 HydrophobicContact CE2-CB 4.48Å; F691-H739 HydrophobicContact CZ-CB 3.84Å; F691-H739 AromaticContact CZ-CD2 3.21Å; F691-H739 WeakPolarHBondContact CZ-CD2 3.44Å; F691-H739 AromaticContact CZ-CG 3.66Å; L735-H739 WeakPolarHBondContact O-CB 3.45Å; L735-H739 PolarHBondContact O-CD2 3.14Å; L735-H739 VanDerWaalsContact O-CD2 3.27Å; L735-H739 PolarHBondContact O-N 3.09Å; Q736-H739 PolarHBondContact O-N 3.35Å; H739-F768 PolarHBondContact CE1-O 3.27Å; H739-F768 VanDerWaalsContact CE1-O 3.29Å; H739-F768 PolarHBondContact NE2-O 2.93Å
740	F	91.6	Very high	95.1	Very high	39 Å²	39	22.1 Å²	22.1	17%	0.171	12%	0.119	C	C	.	.	H	α-helix	trans	-106.5	-8.3	-169.6	-59.4	-63.5	0	0	0	115.4	K687 F691 Q736 P742	K687-F740 HydrophobicContact CB-CD1 4.43Å; K687-F740 HydrophobicContact CB-CE1 3.97Å; K687-F740 HydrophobicContact CG-CD1 3.99Å; K687-F740 HydrophobicContact CG-CE1 4.02Å; F691-F740 AromaticContact CE2-CE2 3.91Å; F691-F740 HydrophobicContact CE2-CE2 3.91Å; F691-F740 HydrophobicContact CZ-CE2 4.14Å; Q736-F740 HydrophobicContact CB-CD2 4.48Å; Q736-F740 WeakPolarHBondContact O-CB 3.47Å; Q736-F740 WeakPolarHBondContact O-CD2 3.49Å; Q736-F740 PolarHBondContact O-N 2.89Å; F740-P742 WeakPolarHBondContact O-CD 3.34Å
741	L	92	Very high	95	Very high	13 Å²	13	23.5 Å²	23.5	7%	0.068	13%	0.128	C	C	.	.			trans	-119.1	80.4	172.5	-58.7	178.9	0	0	0	110.2	L642 W643 L707 V737 S743 S744 R808	L642-L741 HydrophobicContact CB-CD1 4.14Å; L642-L741 HydrophobicContact CB-CD2 4Å; L642-L741 HydrophobicContact CD1-CD1 4.22Å; L642-L741 VanDerWaalsContact O-CD2 3.29Å; L642-L741 WeakPolarHBondContact O-CD2 3.37Å; W643-L741 HydrophobicContact CB-CD2 4.15Å; L707-L741 HydrophobicContact CD1-CD1 4.02Å; L707-L741 HydrophobicContact CD1-CG 4.08Å; V737-L741 HydrophobicContact CG1-CD1 4.29Å; V737-L741 HydrophobicContact CG2-CD1 4.31Å; V737-L741 WeakPolarHBondContact O-CB 3.42Å; V737-L741 PolarHBondContact O-N 3.33Å; L741-S743 PolarHBondContact O-N 3.29Å; L741-S744 WeakPolarHBondContact O-CB 3.27Å; L741-S744 PolarHBondContact O-N 3.03Å; L741-S744 PolarHBondContact O-OG 3.14Å; L741-R808 PolarHBondContact O-NH2 3.36Å
742	P	87.4	Confident	94.7	Very high	105 Å²	105	24.4 Å²	24.4	68%	0.682	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-30.6	-170.1	-28.9	36	0	0	0	116	F740 S744 R808	F740-P742 WeakPolarHBondContact O-CD 3.34Å; P742-S744 VanDerWaalsContact C-N 3.28Å; P742-S744 PolarHBondContact O-N 3.09Å; P742-R808 PolarHBondContact O-NE 3.26Å; P742-R808 PolarHBondContact O-NH2 2.75Å
743	S	89.8	Confident	94.3	Very high	105 Å²	105	26.8 Å²	26.8	73%	0.734	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-4.9	177.5	52.2	0	0	0	0	114	L741	L741-S743 PolarHBondContact O-N 3.29Å
744	S	94.4	Very high	93.9	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.014	18%	0.175	C	C	.	.			trans	-66.3	134.7	-176.9	67.7	0	0	0	0	112.2	V737 L741 P742 R808 T831	V737-S744 PolarHBondContact O-OG 3.16Å; L741-S744 WeakPolarHBondContact O-CB 3.27Å; L741-S744 PolarHBondContact O-N 3.03Å; L741-S744 PolarHBondContact O-OG 3.14Å; P742-S744 VanDerWaalsContact C-N 3.28Å; P742-S744 PolarHBondContact O-N 3.09Å; S744-R808 WeakPolarHBondContact O-CG 2.81Å; S744-R808 PolarHBondContact O-NE 3Å; S744-R808 PolarHBondContact OG-NH2 3.1Å; S744-T831 WeakPolarHBondContact CA-OG1 3.2Å
745	R	96.3	Very high	93.6	Very high	96 Å²	96	31.1 Å²	31.1	36%	0.362	18%	0.18	S	C	.	.			trans	-122.1	120.5	164.8	-69.7	-178.7	175	-173.9	2.9	108.3	H829 F830 T831 H832	R745-H829 WeakPolarHBondContact CB-O 3.43Å; R745-H829 WeakPolarHBondContact CD-O 3.42Å; R745-H829 PolarHBondContact NH1-CE1 2.92Å; R745-H829 PolarHBondContact NH1-ND1 3.31Å; R745-F830 HydrophobicContact CB-CD1 4.29Å; R745-T831 PolarHBondContact N-OG1 3.3Å; R745-T831 PolarHBondContact O-N 3.39Å; R745-T831 PolarHBondContact O-OG1 3.25Å; R745-H832 PolarHBondContact O-N 3.28Å; R745-H832 VanDerWaalsContact O-N 3.1Å
746	V	98.1	Very high	93.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.7	-166.8	179	0	0	0	0	110	V737 V748 R808 I809 V810 H832 F834	V737-V746 HydrophobicContact CG1-CG2 3.75Å; V746-V748 HydrophobicContact CG1-CG2 3.78Å; V746-R808 PolarHBondContact N-O 3.43Å; V746-I809 HydrophobicContact CB-CG1 4.32Å; V746-I809 HydrophobicContact CG1-CG2 4.44Å; V746-I809 WeakPolarHBondContact O-CA 3.38Å; V746-V810 PolarHBondContact O-N 3.21Å; V746-H832 HydrophobicContact CG2-CB 4.34Å; V746-F834 HydrophobicContact CG1-CD2 3.56Å; V746-F834 HydrophobicContact CG1-CE2 3.57Å; V746-F834 HydrophobicContact CG2-CE2 4.47Å
747	L	98.4	Very high	93.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.5	168.3	177.2	62.2	0	0	0	109.2	V810 A817 F820 F830 H832 V833 F834 P849 F852	L747-V810 HydrophobicContact CD1-CB 4.05Å; L747-V810 HydrophobicContact CD1-CG1 3.91Å; L747-A817 HydrophobicContact CD2-CB 4.4Å; L747-F820 HydrophobicContact CD1-CE2 4.27Å; L747-F830 HydrophobicContact CB-CB 4.22Å; L747-F830 HydrophobicContact CB-CD1 3.69Å; L747-F830 HydrophobicContact CB-CD2 4.11Å; L747-F830 HydrophobicContact CB-CE1 4.02Å; L747-F830 HydrophobicContact CB-CE2 4.42Å; L747-F830 HydrophobicContact CB-CG 3.74Å; L747-F830 HydrophobicContact CB-CZ 4.37Å; L747-F830 HydrophobicContact CD1-CZ 4.37Å; L747-F830 HydrophobicContact CD2-CD2 3.95Å; L747-F830 HydrophobicContact CD2-CE2 4.08Å; L747-F830 HydrophobicContact CD2-CG 4.4Å; L747-H832 PolarHBondContact N-O 3.2Å; L747-V833 HydrophobicContact CB-CG2 4.08Å; L747-V833 HydrophobicContact CD2-CG2 4.22Å; L747-V833 HydrophobicContact CG-CG2 4.5Å; L747-V833 CarbonylContact O-C 3.57Å; L747-V833 WeakPolarHBondContact O-CA 3.43Å; L747-F834 PolarHBondContact O-N 2.82Å; L747-P849 HydrophobicContact CD2-CB 3.98Å; L747-F852 HydrophobicContact CD2-CD2 3.96Å
748	V	98.5	Very high	93.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.3	175.3	-168.2	0	0	0	0	108.6	I734 V746 I759 I809 V810 V811 S812 F834	I734-V748 HydrophobicContact CD1-CG1 4.34Å; I734-V748 HydrophobicContact CD1-CG2 3.68Å; I734-V748 HydrophobicContact CG1-CG2 4.27Å; V746-V748 HydrophobicContact CG1-CG2 3.78Å; V748-I759 HydrophobicContact CG1-CD1 3.82Å; V748-I759 HydrophobicContact CG1-CG2 4.14Å; V748-I809 HydrophobicContact CG2-CG2 4.41Å; V748-V810 PolarHBondContact N-O 2.96Å; V748-V811 HydrophobicContact CB-CG2 4.21Å; V748-V811 HydrophobicContact CG2-CG2 4.48Å; V748-V811 WeakPolarHBondContact O-CA 3.26Å; V748-S812 PolarHBondContact O-N 3.03Å; V748-F834 CarbonylContact C-O 3.55Å; V748-F834 WeakPolarHBondContact CA-O 3.39Å; V748-F834 HydrophobicContact CB-CB 4.49Å; V748-F834 HydrophobicContact CG1-CB 4.13Å; V748-F834 HydrophobicContact CG2-CB 4.33Å; V748-F834 HydrophobicContact CG2-CD2 4.38Å
749	C	98.2	Very high	93.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.5	-178.1	-74.9	0	0	0	0	112	S812 F834 L835 D836 P849	C749-S812 VanDerWaalsContact CA-O 3.28Å; C749-S812 WeakPolarHBondContact CA-O 3.33Å; C749-F834 PolarHBondContact N-O 3.35Å; C749-L835 HydrophobicContact CB-CD1 4.38Å; C749-L835 HydrophobicContact CB-CG 4.45Å; C749-L835 VanDerWaalsContact O-CA 3.3Å; C749-L835 WeakPolarHBondContact O-CA 3.32Å; C749-D836 PolarHBondContact O-N 3.16Å; C749-P849 HydrophobicContact CB-CB 3.99Å; C749-P849 HydrophobicContact CB-CG 4.01Å
750	T	96.6	Very high	93.4	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	154.6	174	65.1	0	0	0	0	109.6	S752 A755 A756 I759 S812 T813 C814 D836	T750-S752 VanDerWaalsContact C-N 3.31Å; T750-S752 PolarHBondContact OG1-O 3.11Å; T750-A755 HydrophobicContact CG2-CB 3.87Å; T750-A756 HydrophobicContact CG2-CB 4.33Å; T750-A756 VanDerWaalsContact OG1-CB 3.26Å; T750-A756 WeakPolarHBondContact OG1-CB 3.3Å; T750-A756 PolarHBondContact OG1-N 3.49Å; T750-A756 VanDerWaalsContact OG1-N 3.12Å; T750-I759 HydrophobicContact CG2-CD1 3.71Å; T750-S812 PolarHBondContact N-O 3.1Å; T750-T813 CarbonylContact O-C 3.53Å; T750-T813 WeakPolarHBondContact O-CA 3.48Å; T750-T813 WeakPolarHBondContact O-CB 3.49Å; T750-C814 PolarHBondContact O-N 2.8Å; T750-D836 HydrophobicContact CG2-CB 3.96Å
751	P	93.6	Very high	93.5	Very high	29 Å²	29	30.5 Å²	30.5	19%	0.188	18%	0.183	C	C	.	.	S	Bend	trans	-67.4	-34.2	173.9	-22.4	35.7	0	0	0	112	D836 E837 Q840 A841	P751-D836 VanDerWaalsContact CD-O 3.24Å; P751-D836 WeakPolarHBondContact CD-O 3.37Å; P751-E837 WeakPolarHBondContact CG-O 3.33Å; P751-Q840 HydrophobicContact CB-CB 4.3Å; P751-Q840 HydrophobicContact CG-CB 4.04Å; P751-A841 HydrophobicContact CG-CB 3.85Å
752	S	89.8	Confident	93.6	Very high	34 Å²	34	33.3 Å²	33.3	24%	0.238	19%	0.192	C	C	.	.	S	Bend	trans	-109.2	148	-175.6	71.2	0	0	0	0	113.6	T750 S754 A755 A756	T750-S752 VanDerWaalsContact C-N 3.31Å; T750-S752 PolarHBondContact OG1-O 3.11Å; S752-S754 VanDerWaalsContact C-N 3.34Å; S752-S754 PolarHBondContact O-N 3.22Å; S752-S754 PolarHBondContact OG-OG 3.17Å; S752-A755 PolarHBondContact O-N 3.35Å; S752-A755 VanDerWaalsContact OG-CB 3.28Å; S752-A755 WeakPolarHBondContact OG-CB 3.26Å; S752-A755 PolarHBondContact OG-N 2.94Å; S752-A756 PolarHBondContact O-N 2.97Å
753	N	89.5	Confident	93.9	Very high	56 Å²	56	28.3 Å²	28.3	30%	0.299	16%	0.16	S	C	.	.	H	α-helix	trans	-64.1	-38	176.5	-81.1	-61.4	0	0	0	112.8	A755 A756 D757 R776 R782 T813	N753-A755 PolarHBondContact O-N 3.37Å; N753-A756 PolarHBondContact O-N 2.67Å; N753-D757 WeakPolarHBondContact O-CB 3.5Å; N753-D757 PolarHBondContact O-N 3.11Å; N753-R776 PolarHBondContact OD1-NH2 2.96Å; N753-R782 PolarHBondContact OD1-NH1 2.78Å; N753-T813 HydrophobicContact CB-CG2 4.47Å; N753-T813 WeakPolarHBondContact OD1-CG2 3.43Å
754	S	88.4	Confident	94	Very high	78 Å²	78	26.1 Å²	26.1	55%	0.545	14%	0.138	S	C	.	.	H	α-helix	trans	-63.1	-39.6	-179.8	50.6	0	0	0	0	112.2	S752 D757 L758	S752-S754 VanDerWaalsContact C-N 3.34Å; S752-S754 PolarHBondContact O-N 3.22Å; S752-S754 PolarHBondContact OG-OG 3.17Å; S754-D757 PolarHBondContact O-N 3.38Å; S754-L758 WeakPolarHBondContact O-CB 3.49Å; S754-L758 PolarHBondContact O-N 3.39Å
755	A	90.6	Very high	93.9	Very high	14 Å²	14	31.7 Å²	31.7	12%	0.116	16%	0.164	C	C	.	.	H	α-helix	trans	-66.8	-44.5	175.3	0	0	0	0	0	112	T750 S752 N753 D757 L758 I759	T750-A755 HydrophobicContact CG2-CB 3.87Å; S752-A755 PolarHBondContact O-N 3.35Å; S752-A755 VanDerWaalsContact OG-CB 3.28Å; S752-A755 WeakPolarHBondContact OG-CB 3.26Å; S752-A755 PolarHBondContact OG-N 2.94Å; N753-A755 PolarHBondContact O-N 3.37Å; A755-D757 VanDerWaalsContact C-N 3.29Å; A755-D757 PolarHBondContact O-N 3.31Å; A755-L758 PolarHBondContact O-N 3.03Å; A755-I759 WeakPolarHBondContact O-CG1 3.21Å; A755-I759 PolarHBondContact O-N 3.03Å; A755-I759 VanDerWaalsContact O-N 3.08Å
756	A	94.1	Very high	93.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.8	-40.7	175.2	0	0	0	0	0	111.8	T750 S752 N753 I759 C760 V811	T750-A756 HydrophobicContact CG2-CB 4.33Å; T750-A756 VanDerWaalsContact OG1-CB 3.26Å; T750-A756 WeakPolarHBondContact OG1-CB 3.3Å; T750-A756 PolarHBondContact OG1-N 3.49Å; T750-A756 VanDerWaalsContact OG1-N 3.12Å; S752-A756 PolarHBondContact O-N 2.97Å; N753-A756 PolarHBondContact O-N 2.67Å; A756-I759 PolarHBondContact O-N 2.97Å; A756-C760 WeakPolarHBondContact O-CB 3.29Å; A756-C760 PolarHBondContact O-N 3.32Å; A756-V811 HydrophobicContact CB-CG1 3.94Å; A756-V811 WeakPolarHBondContact O-CG1 3.18Å
757	D	93.4	Very high	93.2	Very high	11 Å²	11	30.2 Å²	30.2	6%	0.059	18%	0.176	C	C	.	.	H	α-helix	trans	-67.2	-41.7	178	-66.9	-1.7	0	0	0	111.8	N753 S754 A755 I759 C760 V761 R776 R782 L791	N753-D757 WeakPolarHBondContact O-CB 3.5Å; N753-D757 PolarHBondContact O-N 3.11Å; S754-D757 PolarHBondContact O-N 3.38Å; A755-D757 VanDerWaalsContact C-N 3.29Å; A755-D757 PolarHBondContact O-N 3.31Å; D757-I759 VanDerWaalsContact C-N 3.32Å; D757-I759 PolarHBondContact O-N 3.04Å; D757-C760 PolarHBondContact O-N 2.95Å; D757-C760 VanDerWaalsContact O-N 3.16Å; D757-V761 WeakPolarHBondContact O-CB 3.39Å; D757-V761 VanDerWaalsContact O-CG2 3.31Å; D757-V761 WeakPolarHBondContact O-CG2 3.36Å; D757-V761 PolarHBondContact O-N 3.33Å; D757-R776 IonicContact OD1-CZ 3.04Å; D757-R776 IonicContact OD1-NE 3.53Å; D757-R776 PolarHBondContact OD1-NE 3.13Å; D757-R776 IonicContact OD1-NH2 3.22Å; D757-R776 PolarHBondContact OD1-NH2 3.02Å; D757-R782 IonicContact OD1-CZ 2.7Å; D757-R782 IonicContact OD1-NH1 3.21Å; D757-R782 PolarHBondContact OD1-NH1 2.85Å; D757-R782 IonicContact OD1-NH2 2.75Å; D757-R782 IonicContact OD2-CZ 3.77Å; D757-R782 VanDerWaalsContact OD2-CZ 3.27Å; D757-R782 IonicContact OD2-NH1 2.76Å; D757-R782 PolarHBondContact OD2-NH1 3.47Å; D757-R782 VanDerWaalsContact OD2-NH1 3.09Å; D757-R782 IonicContact OD2-NH2 2.75Å; D757-R782 PolarHBondContact OD2-NH2 3.23Å; D757-L791 HydrophobicContact CB-CD1 3.65Å
758	L	91.9	Very high	92.7	Very high	69 Å²	69	31.8 Å²	31.8	36%	0.361	18%	0.183	S	C	.	.	H	α-helix	trans	-58.1	-44.6	176	179.4	62.7	0	0	0	111.7	T727 S754 A755 V761 R762	T727-L758 HydrophobicContact CG2-CD2 4.42Å; S754-L758 WeakPolarHBondContact O-CB 3.49Å; S754-L758 PolarHBondContact O-N 3.39Å; A755-L758 PolarHBondContact O-N 3.03Å; L758-V761 PolarHBondContact O-N 3.33Å; L758-R762 HydrophobicContact CD1-CG 4.35Å; L758-R762 WeakPolarHBondContact O-CB 3.35Å; L758-R762 WeakPolarHBondContact O-CG 3.46Å; L758-R762 PolarHBondContact O-N 3.15Å
759	I	94.4	Very high	92.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.1	-48.8	175.1	-69.6	172.3	0	0	0	110.2	T727 L730 I731 V748 T750 A755 A756 D757 V761 R762 L763 V811 D836	T727-I759 HydrophobicContact CG2-CG1 3.98Å; L730-I759 HydrophobicContact CD2-CD1 4.13Å; I731-I759 HydrophobicContact CD1-CB 4.39Å; I731-I759 HydrophobicContact CD1-CG2 3.84Å; V748-I759 HydrophobicContact CG1-CD1 3.82Å; V748-I759 HydrophobicContact CG1-CG2 4.14Å; T750-I759 HydrophobicContact CG2-CD1 3.71Å; A755-I759 WeakPolarHBondContact O-CG1 3.21Å; A755-I759 PolarHBondContact O-N 3.03Å; A755-I759 VanDerWaalsContact O-N 3.08Å; A756-I759 PolarHBondContact O-N 2.97Å; D757-I759 VanDerWaalsContact C-N 3.32Å; D757-I759 PolarHBondContact O-N 3.04Å; I759-V761 PolarHBondContact O-N 3.39Å; I759-R762 PolarHBondContact O-N 3.45Å; I759-L763 HydrophobicContact CG2-CD1 3.86Å; I759-L763 HydrophobicContact CG2-CG 4.35Å; I759-L763 WeakPolarHBondContact O-CB 3.46Å; I759-L763 WeakPolarHBondContact O-CG 3.07Å; I759-L763 PolarHBondContact O-N 3.16Å; I759-V811 HydrophobicContact CG2-CG1 4.43Å; I759-V811 HydrophobicContact CG2-CG2 4.26Å; I759-D836 HydrophobicContact CD1-CB 3.77Å
760	C	94.4	Very high	91.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.9	-42.4	-178.8	-161.3	0	0	0	0	112	A756 D757 L763 H764 L791	A756-C760 WeakPolarHBondContact O-CB 3.29Å; A756-C760 PolarHBondContact O-N 3.32Å; D757-C760 PolarHBondContact O-N 2.95Å; D757-C760 VanDerWaalsContact O-N 3.16Å; C760-L763 PolarHBondContact O-N 3.25Å; C760-H764 WeakPolarHBondContact O-CB 3.4Å; C760-H764 PolarHBondContact O-N 2.95Å; C760-L791 HydrophobicContact CB-CD1 4.3Å; C760-L791 HydrophobicContact CB-CD2 3.78Å
761	V	93.9	Very high	90.5	Very high	28 Å²	28	42.3 Å²	42.3	17%	0.17	24%	0.243	C	C	.	.	H	α-helix	trans	-62.3	-44.5	175.6	170.1	0	0	0	0	110.9	D757 L758 I759 H764 H765 V790 L791	D757-V761 WeakPolarHBondContact O-CB 3.39Å; D757-V761 VanDerWaalsContact O-CG2 3.31Å; D757-V761 WeakPolarHBondContact O-CG2 3.36Å; D757-V761 PolarHBondContact O-N 3.33Å; L758-V761 PolarHBondContact O-N 3.33Å; I759-V761 PolarHBondContact O-N 3.39Å; V761-H764 WeakPolarHBondContact O-CB 3.49Å; V761-H764 PolarHBondContact O-N 2.79Å; V761-H765 WeakPolarHBondContact CG1-CE1 3.48Å; V761-H765 WeakPolarHBondContact O-CB 3.48Å; V761-H765 VanDerWaalsContact O-CG 3.32Å; V761-H765 PolarHBondContact O-N 3Å; V761-V790 HydrophobicContact CG2-CG1 3.96Å; V761-L791 HydrophobicContact CG2-CD1 3.97Å; V761-L791 HydrophobicContact CG2-CD2 3.69Å; V761-L791 HydrophobicContact CG2-CG 3.85Å
762	R	93.3	Very high	90	Very high	72 Å²	72	43.9 Å²	43.9	27%	0.272	26%	0.259	S	S	.	.	H	α-helix	trans	-69.7	-38.6	-179.8	-71	-178.2	177.7	-166.7	2.1	112.6	I728 I731 L758 I759 H764 H765 S766	I728-R762 VanDerWaalsContact CG1-NH1 3.26Å; I731-R762 HydrophobicContact CD1-CB 4.19Å; I731-R762 HydrophobicContact CG1-CB 3.75Å; L758-R762 HydrophobicContact CD1-CG 4.35Å; L758-R762 WeakPolarHBondContact O-CB 3.35Å; L758-R762 WeakPolarHBondContact O-CG 3.46Å; L758-R762 PolarHBondContact O-N 3.15Å; I759-R762 PolarHBondContact O-N 3.45Å; R762-H764 VanDerWaalsContact C-N 3.32Å; R762-H765 PolarHBondContact O-N 3.35Å; R762-S766 PolarHBondContact O-N 3.29Å
763	L	94.2	Very high	90.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.2	-43.6	171.5	-74.3	173	0	0	0	111.1	I731 I734 L735 I759 C760 S766 L769 L774 I809 V811	I731-L763 HydrophobicContact CD1-CD2 3.93Å; I731-L763 HydrophobicContact CD1-CG 3.79Å; I731-L763 HydrophobicContact CG2-CD2 4.11Å; I734-L763 HydrophobicContact CB-CD2 4.25Å; I734-L763 HydrophobicContact CG2-CD1 4.47Å; I734-L763 HydrophobicContact CG2-CD2 3.81Å; L735-L763 HydrophobicContact CD2-CD2 4.4Å; I759-L763 HydrophobicContact CG2-CD1 3.86Å; I759-L763 HydrophobicContact CG2-CG 4.35Å; I759-L763 WeakPolarHBondContact O-CB 3.46Å; I759-L763 WeakPolarHBondContact O-CG 3.07Å; I759-L763 PolarHBondContact O-N 3.16Å; C760-L763 PolarHBondContact O-N 3.25Å; L763-S766 WeakPolarHBondContact O-CB 3.49Å; L763-S766 PolarHBondContact O-N 3.05Å; L763-S766 PolarHBondContact O-OG 3.41Å; L763-L769 HydrophobicContact CB-CD1 3.79Å; L763-L769 HydrophobicContact CD2-CD1 4.07Å; L763-L769 HydrophobicContact CG-CD1 4.35Å; L763-L774 HydrophobicContact CB-CD2 4.14Å; L763-L774 HydrophobicContact CD1-CD1 4.1Å; L763-I809 HydrophobicContact CD1-CG2 4.29Å; L763-V811 HydrophobicContact CD1-CG2 4.17Å
764	H	92.3	Very high	90.3	Very high	60 Å²	60	40.5 Å²	40.5	28%	0.278	24%	0.24	S	C	.	.	H	α-helix	trans	-61.9	-51.3	174.6	172.8	75	0	0	0	112.1	C760 V761 R762 S766 G767 V790 Y794	C760-H764 WeakPolarHBondContact O-CB 3.4Å; C760-H764 PolarHBondContact O-N 2.95Å; V761-H764 WeakPolarHBondContact O-CB 3.49Å; V761-H764 PolarHBondContact O-N 2.79Å; R762-H764 VanDerWaalsContact C-N 3.32Å; H764-S766 PolarHBondContact O-N 3.19Å; H764-G767 PolarHBondContact O-N 2.62Å; H764-V790 WeakPolarHBondContact CD2-CG2 3.48Å; H764-V790 WeakPolarHBondContact NE2-CG2 3.13Å; H764-Y794 HydrophobicContact CB-CE2 3.89Å; H764-Y794 AromaticContact CG-CE2 3.89Å; H764-Y794 AromaticContact ND1-CE2 3.56Å; H764-Y794 AromaticContact ND1-CZ 3.59Å; H764-Y794 PolarHBondContact ND1-OH 3.17Å
765	H	91.4	Very high	90.7	Very high	118 Å²	118	36.8 Å²	36.8	55%	0.546	21%	0.214	S	C	.	.	H	α-helix	trans	-66.3	-18.6	-179.3	-69.7	165.2	0	0	0	114	V761 R762 G767	V761-H765 WeakPolarHBondContact CG1-CE1 3.48Å; V761-H765 WeakPolarHBondContact O-CB 3.48Å; V761-H765 VanDerWaalsContact O-CG 3.32Å; V761-H765 PolarHBondContact O-N 3Å; R762-H765 PolarHBondContact O-N 3.35Å; H765-G767 PolarHBondContact O-N 3.14Å
766	S	90.7	Very high	90.9	Very high	17 Å²	17	36.1 Å²	36.1	12%	0.119	21%	0.208	C	C	.	.	H	α-helix	trans	-56.9	-33.8	174.3	77.8	0	0	0	0	112.1	R762 L763 H764 F768	R762-S766 PolarHBondContact O-N 3.29Å; L763-S766 WeakPolarHBondContact O-CB 3.49Å; L763-S766 PolarHBondContact O-N 3.05Å; L763-S766 PolarHBondContact O-OG 3.41Å; H764-S766 PolarHBondContact O-N 3.19Å; S766-F768 VanDerWaalsContact O-CD2 3.23Å; S766-F768 WeakPolarHBondContact O-CD2 3.3Å; S766-F768 WeakPolarHBondContact O-CE2 3.46Å; S766-F768 PolarHBondContact O-N 3.36Å; S766-F768 PolarHBondContact OG-N 3.37Å
767	G	88.8	Confident	90.9	Very high	48 Å²	48	36.1 Å²	36.1	50%	0.495	21%	0.208	S	C	.	.	S	Bend	trans	72.7	5.7	-175.9	0	0	0	0	0	114.5	H764 H765	H764-G767 PolarHBondContact O-N 2.62Å; H765-G767 PolarHBondContact O-N 3.14Å
768	F	89.2	Confident	90.8	Very high	34 Å²	34	35.9 Å²	35.9	15%	0.149	21%	0.207	C	C	.	.			trans	-102.5	4.7	-176.4	-64.2	-65.1	0	0	0	114.1	K682 F691 L735 H739 S766	K682-F768 HydrophobicContact CB-CE1 4.12Å; K682-F768 HydrophobicContact CB-CZ 4.37Å; K682-F768 HydrophobicContact CD-CZ 4.19Å; F691-F768 HydrophobicContact CB-CD2 4.23Å; F691-F768 HydrophobicContact CB-CE2 4.05Å; F691-F768 HydrophobicContact CD1-CB 4.16Å; F691-F768 AromaticContact CD1-CD1 3.84Å; F691-F768 HydrophobicContact CD1-CD1 3.84Å; F691-F768 AromaticContact CD1-CD2 3.62Å; F691-F768 HydrophobicContact CD1-CD2 3.62Å; F691-F768 HydrophobicContact CD1-CE1 4.06Å; F691-F768 AromaticContact CD1-CE2 3.86Å; F691-F768 HydrophobicContact CD1-CE2 3.86Å; F691-F768 AromaticContact CD1-CG 3.61Å; F691-F768 HydrophobicContact CD1-CG 3.61Å; F691-F768 HydrophobicContact CD1-CZ 4.07Å; F691-F768 HydrophobicContact CE1-CB 4.23Å; F691-F768 HydrophobicContact CE1-CD1 4.08Å; F691-F768 HydrophobicContact CE1-CD2 4.47Å; F691-F768 HydrophobicContact CE1-CG 4.03Å; F691-F768 HydrophobicContact CG-CD2 4.3Å; F691-F768 HydrophobicContact CG-CE2 4.44Å; L735-F768 HydrophobicContact CD1-CD2 4.21Å; L735-F768 HydrophobicContact CD2-CB 4.09Å; H739-F768 PolarHBondContact CE1-O 3.27Å; H739-F768 VanDerWaalsContact CE1-O 3.29Å; H739-F768 PolarHBondContact NE2-O 2.93Å; S766-F768 VanDerWaalsContact O-CD2 3.23Å; S766-F768 WeakPolarHBondContact O-CD2 3.3Å; S766-F768 WeakPolarHBondContact O-CE2 3.46Å; S766-F768 PolarHBondContact O-N 3.36Å; S766-F768 PolarHBondContact OG-N 3.37Å
769	L	87.7	Confident	90.4	Very high	28 Å²	28	33.7 Å²	33.7	15%	0.147	20%	0.199	C	C	.	.	S	Bend	trans	-111.5	139	178.1	-65.2	-179.7	0	0	0	111.2	L735 Y738 L763 L774 I809	L735-L769 HydrophobicContact CD2-CD1 4.44Å; L735-L769 HydrophobicContact CD2-CD2 3.77Å; L735-L769 HydrophobicContact CD2-CG 3.86Å; Y738-L769 HydrophobicContact CD1-CD2 3.55Å; Y738-L769 HydrophobicContact CD2-CD2 4.33Å; Y738-L769 HydrophobicContact CE1-CD2 3.69Å; Y738-L769 HydrophobicContact CE2-CD2 4.42Å; Y738-L769 HydrophobicContact CG-CD2 3.89Å; L763-L769 HydrophobicContact CB-CD1 3.79Å; L763-L769 HydrophobicContact CD2-CD1 4.07Å; L763-L769 HydrophobicContact CG-CD1 4.35Å; L769-L774 HydrophobicContact CD1-CD2 4.45Å; L769-I809 HydrophobicContact CD1-CD1 3.93Å; L769-I809 HydrophobicContact CD2-CD1 3.7Å; L769-I809 HydrophobicContact CG-CD1 4.5Å
770	H	84.1	Confident	89.4	Confident	127 Å²	127	36.3 Å²	36.3	59%	0.588	22%	0.217	S	C	*	.			trans	-69.1	137	164.7	-174.1	-94.9	0	0	0	109.6	A772 S773	H770-A772 WeakPolarHBondContact ND1-CB 3.33Å; H770-A772 PolarHBondContact ND1-N 3.07Å; H770-A772 VanDerWaalsContact ND1-N 3.18Å; H770-A772 PolarHBondContact O-N 2.97Å; H770-A772 VanDerWaalsContact O-N 3.11Å; H770-S773 WeakPolarHBondContact O-CB 3.48Å; H770-S773 PolarHBondContact O-N 2.98Å
771	A	74.8	Confident	88.4	Confident	65 Å²	65	40 Å²	40	54%	0.537	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-56.4	-33.7	-175.4	0	0	0	0	0	113.2	S773	A771-S773 VanDerWaalsContact C-N 3.26Å; A771-S773 PolarHBondContact O-N 3.42Å
772	A	83.9	Confident	87.6	Confident	62 Å²	62	40.6 Å²	40.6	51%	0.512	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-79.1	1.6	177.5	0	0	0	0	0	114.7	H770 H807	H770-A772 WeakPolarHBondContact ND1-CB 3.33Å; H770-A772 PolarHBondContact ND1-N 3.07Å; H770-A772 VanDerWaalsContact ND1-N 3.18Å; H770-A772 PolarHBondContact O-N 2.97Å; H770-A772 VanDerWaalsContact O-N 3.11Å; A772-H807 PolarHBondContact O-CD2 3.25Å
773	S	90.6	Very high	86.6	Confident	18 Å²	18	41.9 Å²	41.9	13%	0.126	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-91.9	-13.1	179.2	-64.4	0	0	0	0	114	Y738 H770 A771 R808 I809	Y738-S773 WeakPolarHBondContact OH-CB 3.32Å; Y738-S773 PolarHBondContact OH-OG 2.88Å; H770-S773 WeakPolarHBondContact O-CB 3.48Å; H770-S773 PolarHBondContact O-N 2.98Å; A771-S773 VanDerWaalsContact C-N 3.26Å; A771-S773 PolarHBondContact O-N 3.42Å; S773-R808 PolarHBondContact O-N 2.83Å; S773-I809 PolarHBondContact O-N 2.68Å
774	L	95.2	Very high	85.6	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	132.3	-173.4	-179.9	61.9	0	0	0	111.2	L763 L769 Y794 I809 V811	L763-L774 HydrophobicContact CB-CD2 4.14Å; L763-L774 HydrophobicContact CD1-CD1 4.1Å; L769-L774 HydrophobicContact CD1-CD2 4.45Å; L774-Y794 HydrophobicContact CB-CD1 3.95Å; L774-Y794 HydrophobicContact CB-CE1 4.01Å; L774-Y794 HydrophobicContact CD2-CD1 4.01Å; L774-Y794 HydrophobicContact CD2-CE1 4Å; L774-Y794 HydrophobicContact CD2-CG 4.26Å; L774-Y794 HydrophobicContact CG-CD1 3.96Å; L774-Y794 HydrophobicContact CG-CE1 4.28Å; L774-Y794 HydrophobicContact CG-CG 4.39Å; L774-Y794 WeakPolarHBondContact O-CD1 3.31Å; L774-I809 WeakPolarHBondContact CA-O 3.23Å; L774-I809 HydrophobicContact CD1-CB 3.98Å; L774-I809 HydrophobicContact CD1-CG2 3.66Å; L774-V811 HydrophobicContact CD1-CG2 3.77Å
775	A	95.9	Very high	84.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	142.8	170	0	0	0	0	0	111.3	A797 A804 H807 I809 V811	A775-A797 HydrophobicContact CB-CB 4.23Å; A775-A804 HydrophobicContact CB-CB 4.18Å; A775-H807 HydrophobicContact CB-CB 3.93Å; A775-I809 PolarHBondContact N-O 3.09Å; A775-V811 PolarHBondContact O-N 3.14Å
776	R	95.2	Very high	83.9	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	107.1	175.6	178.3	69.6	-175.6	85.6	3.1	109.9	N753 D757 N778 Y794 G798 V811	N753-R776 PolarHBondContact OD1-NH2 2.96Å; D757-R776 IonicContact OD1-CZ 3.04Å; D757-R776 IonicContact OD1-NE 3.53Å; D757-R776 PolarHBondContact OD1-NE 3.13Å; D757-R776 IonicContact OD1-NH2 3.22Å; D757-R776 PolarHBondContact OD1-NH2 3.02Å; R776-N778 PolarHBondContact NH1-OD1 3.26Å; R776-N778 PolarHBondContact NH2-OD1 2.88Å; R776-Y794 PolarHBondContact N-O 2.79Å; R776-G798 WeakPolarHBondContact O-CA 3.39Å; R776-V811 CarbonylContact C-O 3.58Å; R776-V811 WeakPolarHBondContact CA-O 3.21Å; R776-V811 PolarHBondContact NH1-O 2.85Å
777	V	94.4	Very high	83.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	109.2	-179	176.4	0	0	0	0	110.9	I801 A804 V810 V811 F820	V777-I801 HydrophobicContact CG1-CD1 3.75Å; V777-A804 HydrophobicContact CG2-CB 3.72Å; V777-V810 HydrophobicContact CG2-CG1 3.89Å; V777-V811 PolarHBondContact N-O 3.1Å; V777-F820 HydrophobicContact CG2-CE2 4.48Å; V777-F820 HydrophobicContact CG2-CZ 3.95Å
778	N	90.9	Very high	83.4	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.027	29%	0.285	C	S	.	.			trans	-99.1	154	179.9	-72.3	-60.3	0	0	0	112.8	R463 R776 R782 S795	R463-N778 PolarHBondContact NH1-O 3.4Å; R463-N778 PolarHBondContact NH2-O 2.65Å; R463-N778 VanDerWaalsContact NH2-O 3.17Å; R776-N778 PolarHBondContact NH1-OD1 3.26Å; R776-N778 PolarHBondContact NH2-OD1 2.88Å; N778-R782 HydrophobicContact CB-CB 4.35Å; N778-R782 WeakPolarHBondContact OD1-CD 3.18Å; N778-R782 PolarHBondContact OD1-NH1 3.29Å; N778-S795 PolarHBondContact ND2-OG 2.63Å
779	A	83.9	Confident	83.4	Confident	24 Å²	24	54.9 Å²	54.9	20%	0.198	32%	0.315	C	S	.	.			trans	-57.1	147.8	167.1	0	0	0	0	0	111	S781 R782 S816	A779-S781 PolarHBondContact O-N 2.92Å; A779-R782 WeakPolarHBondContact O-CB 3.32Å; A779-R782 PolarHBondContact O-N 3.31Å; A779-R782 VanDerWaalsContact O-N 3.12Å; A779-S816 PolarHBondContact N-OG 2.89Å
780	S	73.6	Confident	83.5	Confident	54 Å²	54	55.7 Å²	55.7	38%	0.378	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-20.4	-176.2	-57.2	0	0	0	0	114.1	R463 R782	R463-S780 PolarHBondContact NH1-OG 3.47Å; S780-R782 VanDerWaalsContact C-N 3.34Å
781	S	71.5	Confident	83.9	Confident	77 Å²	77	49.7 Å²	49.7	54%	0.538	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-7.5	175.1	50.6	0	0	0	0	113.3	A779 E783	A779-S781 PolarHBondContact O-N 2.92Å; S781-E783 PolarHBondContact O-N 2.74Å
782	R	78.8	Confident	84.6	Confident	41 Å²	41	49.5 Å²	49.5	16%	0.155	28%	0.281	C	S	.	.			trans	-77.8	123.8	-176.4	-170.4	178.6	-175.2	-178.8	5.4	110.8	N753 D757 N778 A779 S780 S786	N753-R782 PolarHBondContact OD1-NH1 2.78Å; D757-R782 IonicContact OD1-CZ 2.7Å; D757-R782 IonicContact OD1-NH1 3.21Å; D757-R782 PolarHBondContact OD1-NH1 2.85Å; D757-R782 IonicContact OD1-NH2 2.75Å; D757-R782 IonicContact OD2-CZ 3.77Å; D757-R782 VanDerWaalsContact OD2-CZ 3.27Å; D757-R782 IonicContact OD2-NH1 2.76Å; D757-R782 PolarHBondContact OD2-NH1 3.47Å; D757-R782 VanDerWaalsContact OD2-NH1 3.09Å; D757-R782 IonicContact OD2-NH2 2.75Å; D757-R782 PolarHBondContact OD2-NH2 3.23Å; N778-R782 HydrophobicContact CB-CB 4.35Å; N778-R782 WeakPolarHBondContact OD1-CD 3.18Å; N778-R782 PolarHBondContact OD1-NH1 3.29Å; A779-R782 WeakPolarHBondContact O-CB 3.32Å; A779-R782 PolarHBondContact O-N 3.31Å; A779-R782 VanDerWaalsContact O-N 3.12Å; S780-R782 VanDerWaalsContact C-N 3.34Å; R782-S786 PolarHBondContact NE-OG 3.34Å
783	E	71.6	Confident	84.9	Confident	100 Å²	100	50.4 Å²	50.4	47%	0.467	28%	0.282	S	S	.	.			trans	-74.9	143.7	179.6	-62	-176.6	164.3	0	0	112.6	I556 S781 E785 S786	I556-E783 WeakPolarHBondContact CD1-OE1 3.2Å; S781-E783 PolarHBondContact O-N 2.74Å; E783-E785 VanDerWaalsContact C-N 3.27Å; E783-E785 PolarHBondContact O-N 3.43Å; E783-S786 PolarHBondContact O-N 3.24Å; E783-S786 PolarHBondContact O-OG 3.22Å
784	T	72.6	Confident	85	Confident	72 Å²	72	50.4 Å²	50.4	44%	0.442	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-66.2	-30.4	178.7	-49.5	0	0	0	0	112.5	S786 L787	T784-S786 VanDerWaalsContact C-N 3.26Å; T784-S786 PolarHBondContact O-N 3.31Å; T784-L787 WeakPolarHBondContact O-CB 3.42Å; T784-L787 PolarHBondContact O-N 3.04Å
785	E	72.2	Confident	84.8	Confident	181 Å²	181	50.8 Å²	50.8	85%	0.846	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-68.1	-26.4	179.7	-64.7	175.1	-166.3	0	0	112.3	E783 L787	E783-E785 VanDerWaalsContact C-N 3.27Å; E783-E785 PolarHBondContact O-N 3.43Å; E785-L787 PolarHBondContact O-N 3.47Å
786	S	76.1	Confident	84.4	Confident	63 Å²	63	58.6 Å²	58.6	44%	0.441	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-72.2	-8.7	175.1	76.8	0	0	0	0	114.2	R782 E783 T784	R782-S786 PolarHBondContact NE-OG 3.34Å; E783-S786 PolarHBondContact O-N 3.24Å; E783-S786 PolarHBondContact O-OG 3.22Å; T784-S786 VanDerWaalsContact C-N 3.26Å; T784-S786 PolarHBondContact O-N 3.31Å
787	L	82.8	Confident	84.1	Confident	14 Å²	14	59.5 Å²	59.5	7%	0.073	32%	0.319	C	S	.	.	S	Bend	trans	-95.6	138.6	-175.7	-69.5	166.7	0	0	0	111.2	T784 E785 E789 S795	T784-L787 WeakPolarHBondContact O-CB 3.42Å; T784-L787 PolarHBondContact O-N 3.04Å; E785-L787 PolarHBondContact O-N 3.47Å; L787-E789 PolarHBondContact O-N 3.47Å; L787-S795 WeakPolarHBondContact CD1-OG 3.47Å
788	P	87.3	Confident	83.8	Confident	55 Å²	55	59.5 Å²	59.5	36%	0.357	32%	0.319	S	S	.	.			trans	-54.1	136.9	166	-23.8	32.9	0	0	0	111.2	V790 L791	P788-V790 HydrophobicContact CB-CG1 4.02Å; P788-V790 PolarHBondContact O-N 2.91Å; P788-V790 VanDerWaalsContact O-N 3.1Å; P788-L791 HydrophobicContact CB-CG 4.29Å; P788-L791 HydrophobicContact CG-CD1 4.24Å; P788-L791 HydrophobicContact CG-CG 4.45Å; P788-L791 WeakPolarHBondContact O-CB 3.43Å; P788-L791 PolarHBondContact O-N 3.03Å
789	E	88.3	Confident	83.6	Confident	165 Å²	165	61.2 Å²	61.2	77%	0.771	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-52.7	-38.5	-177.3	-68.5	-174.9	167	0	0	112.8	L787 L791 Q792	L787-E789 PolarHBondContact O-N 3.47Å; E789-L791 PolarHBondContact O-N 2.8Å; E789-L791 VanDerWaalsContact O-N 3.16Å; E789-Q792 WeakPolarHBondContact O-CB 3.43Å; E789-Q792 WeakPolarHBondContact O-CG 3.34Å; E789-Q792 PolarHBondContact O-N 3.48Å; E789-Q792 VanDerWaalsContact O-N 3.13Å
790	V	90.7	Very high	83.8	Confident	45 Å²	45	62.9 Å²	62.9	27%	0.273	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-59.6	-25	177.9	69.8	0	0	0	0	113.5	V761 H764 P788	V761-V790 HydrophobicContact CG2-CG1 3.96Å; H764-V790 WeakPolarHBondContact CD2-CG2 3.48Å; H764-V790 WeakPolarHBondContact NE2-CG2 3.13Å; P788-V790 HydrophobicContact CB-CG1 4.02Å; P788-V790 PolarHBondContact O-N 2.91Å; P788-V790 VanDerWaalsContact O-N 3.1Å
791	L	91.2	Very high	84.6	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-90.8	-10.6	-179.4	-62.4	-167.8	0	0	0	114	D757 C760 V761 P788 E789 P793 Y794 S795	D757-L791 HydrophobicContact CB-CD1 3.65Å; C760-L791 HydrophobicContact CB-CD1 4.3Å; C760-L791 HydrophobicContact CB-CD2 3.78Å; V761-L791 HydrophobicContact CG2-CD1 3.97Å; V761-L791 HydrophobicContact CG2-CD2 3.69Å; V761-L791 HydrophobicContact CG2-CG 3.85Å; P788-L791 HydrophobicContact CB-CG 4.29Å; P788-L791 HydrophobicContact CG-CD1 4.24Å; P788-L791 HydrophobicContact CG-CG 4.45Å; P788-L791 WeakPolarHBondContact O-CB 3.43Å; P788-L791 PolarHBondContact O-N 3.03Å; E789-L791 PolarHBondContact O-N 2.8Å; E789-L791 VanDerWaalsContact O-N 3.16Å; L791-P793 VanDerWaalsContact C-CD 3.49Å; L791-Y794 HydrophobicContact CD2-CD2 4.16Å; L791-Y794 PolarHBondContact O-N 3.37Å; L791-S795 WeakPolarHBondContact O-CB 3.27Å; L791-S795 PolarHBondContact O-N 2.97Å
792	Q	89.7	Confident	85.4	Confident	61 Å²	61	62.5 Å²	62.5	29%	0.285	31%	0.311	S	S	.	.	H	α-helix	trans	-56.6	-42.9	-177.6	-66.7	-177.6	11.2	0	0	113.4	E789 Y794 S795 R796	E789-Q792 WeakPolarHBondContact O-CB 3.43Å; E789-Q792 WeakPolarHBondContact O-CG 3.34Å; E789-Q792 PolarHBondContact O-N 3.48Å; E789-Q792 VanDerWaalsContact O-N 3.13Å; Q792-Y794 PolarHBondContact O-N 3.21Å; Q792-S795 PolarHBondContact O-N 3.37Å; Q792-R796 VanDerWaalsContact O-CG 3.31Å; Q792-R796 WeakPolarHBondContact O-CG 3.49Å; Q792-R796 PolarHBondContact O-N 3.48Å
793	P	90.6	Very high	86	Confident	82 Å²	82	65.3 Å²	65.3	53%	0.532	33%	0.325	S	S	.	.	H	α-helix	trans	-61.3	-42.7	177.1	-22.4	34.3	0	0	0	112.8	L791 R796 A797	L791-P793 VanDerWaalsContact C-CD 3.49Å; P793-R796 PolarHBondContact O-N 2.76Å; P793-A797 PolarHBondContact O-N 3.09Å; P793-A797 VanDerWaalsContact O-N 3.07Å
794	Y	92.4	Very high	87	Confident	18 Å²	18	60.5 Å²	60.5	7%	0.071	30%	0.303	C	S	.	.	H	α-helix	trans	-70.7	-36	179.6	-55.4	-60.6	0	0	0	112.1	H764 L774 R776 L791 Q792 A797 G798	H764-Y794 HydrophobicContact CB-CE2 3.89Å; H764-Y794 AromaticContact CG-CE2 3.89Å; H764-Y794 AromaticContact ND1-CE2 3.56Å; H764-Y794 AromaticContact ND1-CZ 3.59Å; H764-Y794 PolarHBondContact ND1-OH 3.17Å; L774-Y794 HydrophobicContact CB-CD1 3.95Å; L774-Y794 HydrophobicContact CB-CE1 4.01Å; L774-Y794 HydrophobicContact CD2-CD1 4.01Å; L774-Y794 HydrophobicContact CD2-CE1 4Å; L774-Y794 HydrophobicContact CD2-CG 4.26Å; L774-Y794 HydrophobicContact CG-CD1 3.96Å; L774-Y794 HydrophobicContact CG-CE1 4.28Å; L774-Y794 HydrophobicContact CG-CG 4.39Å; L774-Y794 WeakPolarHBondContact O-CD1 3.31Å; R776-Y794 PolarHBondContact N-O 2.79Å; L791-Y794 HydrophobicContact CD2-CD2 4.16Å; L791-Y794 PolarHBondContact O-N 3.37Å; Q792-Y794 PolarHBondContact O-N 3.21Å; Y794-A797 PolarHBondContact O-N 3.45Å; Y794-G798 PolarHBondContact O-N 3.44Å
795	S	90.4	Very high	87.9	Confident	10 Å²	10	57.2 Å²	57.2	7%	0.07	28%	0.283	C	S	.	.	H	α-helix	trans	-65.6	-42.2	174.1	-174.1	0	0	0	0	111.2	N778 L787 L791 Q792 A797 G798 E799	N778-S795 PolarHBondContact ND2-OG 2.63Å; L787-S795 WeakPolarHBondContact CD1-OG 3.47Å; L791-S795 WeakPolarHBondContact O-CB 3.27Å; L791-S795 PolarHBondContact O-N 2.97Å; Q792-S795 PolarHBondContact O-N 3.37Å; S795-A797 VanDerWaalsContact C-N 3.32Å; S795-A797 PolarHBondContact O-N 2.97Å; S795-G798 CarbonylContact O-C 3.35Å; S795-G798 WeakPolarHBondContact O-CA 3.08Å; S795-G798 PolarHBondContact O-N 3.43Å; S795-E799 PolarHBondContact O-N 2.92Å
796	R	88.4	Confident	88.8	Confident	164 Å²	164	56 Å²	56	62%	0.619	28%	0.275	S	S	*	.	H	α-helix	trans	-60.7	-40.8	174.4	-73.4	176.3	-170.2	177	6.2	111.7	Q792 P793 G798 E799	Q792-R796 VanDerWaalsContact O-CG 3.31Å; Q792-R796 WeakPolarHBondContact O-CG 3.49Å; Q792-R796 PolarHBondContact O-N 3.48Å; P793-R796 PolarHBondContact O-N 2.76Å; R796-G798 VanDerWaalsContact C-N 3.25Å; R796-G798 PolarHBondContact O-N 2.78Å; R796-E799 WeakPolarHBondContact O-CB 3.44Å; R796-E799 PolarHBondContact O-N 2.99Å; R796-E799 VanDerWaalsContact O-N 3.14Å
797	A	87.8	Confident	89.7	Confident	18 Å²	18	53.7 Å²	53.7	15%	0.149	26%	0.257	C	S	.	.	H	α-helix	trans	-62	-34.3	173.6	0	0	0	0	0	112.4	A775 P793 Y794 S795 E799	A775-A797 HydrophobicContact CB-CB 4.23Å; P793-A797 PolarHBondContact O-N 3.09Å; P793-A797 VanDerWaalsContact O-N 3.07Å; Y794-A797 PolarHBondContact O-N 3.45Å; S795-A797 VanDerWaalsContact C-N 3.32Å; S795-A797 PolarHBondContact O-N 2.97Å; A797-E799 VanDerWaalsContact C-N 3.35Å
798	G	88.4	Confident	90.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	3.8	174.3	0	0	0	0	0	115.7	R463 R776 Y794 S795 R796	R463-G798 PolarHBondContact NH2-O 3.39Å; R776-G798 WeakPolarHBondContact O-CA 3.39Å; Y794-G798 PolarHBondContact O-N 3.44Å; S795-G798 CarbonylContact O-C 3.35Å; S795-G798 WeakPolarHBondContact O-CA 3.08Å; S795-G798 PolarHBondContact O-N 3.43Å; R796-G798 VanDerWaalsContact C-N 3.25Å; R796-G798 PolarHBondContact O-N 2.78Å
799	E	86.8	Confident	90.8	Very high	42 Å²	42	53.3 Å²	53.3	20%	0.196	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-45.5	174	-77.2	177.5	-164.6	0	0	111.2	L460 R463 S795 R796 A797	L460-E799 VanDerWaalsContact CD2-CD 3.46Å; L460-E799 HydrophobicContact CD2-CG 3.98Å; R463-E799 WeakPolarHBondContact CD-O 3.47Å; R463-E799 WeakPolarHBondContact CG-O 3.4Å; R463-E799 PolarHBondContact NE-O 3.48Å; S795-E799 PolarHBondContact O-N 2.92Å; R796-E799 WeakPolarHBondContact O-CB 3.44Å; R796-E799 PolarHBondContact O-N 2.99Å; R796-E799 VanDerWaalsContact O-N 3.14Å; A797-E799 VanDerWaalsContact C-N 3.35Å
800	D	88.1	Confident	91.2	Very high	58 Å²	58	45.4 Å²	45.4	31%	0.31	21%	0.211	S	C	.	.	S	Bend	trans	-88.5	108.3	171.7	-175.6	-15	0	0	0	109.6	R802 H803 A804	D800-R802 PolarHBondContact O-N 2.94Å; D800-R802 WeakPolarHBondContact OD1-CB 3.45Å; D800-R802 PolarHBondContact OD1-N 2.91Å; D800-H803 HydrophobicContact CB-CB 3.86Å; D800-H803 WeakPolarHBondContact O-CB 3.47Å; D800-H803 PolarHBondContact O-N 3.17Å; D800-H803 VanDerWaalsContact O-N 3.11Å; D800-H803 PolarHBondContact OD1-N 3.49Å; D800-A804 WeakPolarHBondContact O-CB 3.49Å; D800-A804 PolarHBondContact O-N 3.05Å
801	I	90.8	Very high	91.6	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-62	-32.5	-176.4	-50.3	-55.3	0	0	0	111.8	L465 V777 A804 A805 M819 F820 I823	L465-I801 HydrophobicContact CD2-CG1 4.13Å; V777-I801 HydrophobicContact CG1-CD1 3.75Å; I801-A804 PolarHBondContact O-N 3.47Å; I801-A805 PolarHBondContact O-N 3.13Å; I801-M819 HydrophobicContact CD1-CB 4.31Å; I801-M819 HydrophobicContact CD1-SD 3.76Å; I801-M819 HydrophobicContact CG1-CB 4.21Å; I801-M819 HydrophobicContact CG1-SD 4.2Å; I801-M819 HydrophobicContact CG2-CB 4.06Å; I801-F820 HydrophobicContact CG2-CD1 3.6Å; I801-F820 HydrophobicContact CG2-CE1 3.64Å; I801-F820 HydrophobicContact CG2-CG 4.34Å; I801-F820 HydrophobicContact CG2-CZ 4.41Å; I801-F820 WeakPolarHBondContact O-CE1 2.91Å; I801-I823 HydrophobicContact CB-CD1 4.48Å; I801-I823 HydrophobicContact CB-CG2 4.16Å; I801-I823 HydrophobicContact CG2-CD1 3.89Å; I801-I823 HydrophobicContact CG2-CG1 4.15Å; I801-I823 HydrophobicContact CG2-CG2 4.15Å
802	R	89.4	Confident	91.8	Very high	122 Å²	122	43.3 Å²	43.3	46%	0.46	20%	0.198	S	C	.	.	H	α-helix	trans	-68.4	-43.9	176	-76.2	-179	-82.6	-175.6	-7.6	110.6	D800 A805 F806 I823	D800-R802 PolarHBondContact O-N 2.94Å; D800-R802 WeakPolarHBondContact OD1-CB 3.45Å; D800-R802 PolarHBondContact OD1-N 2.91Å; R802-A805 PolarHBondContact O-N 3.43Å; R802-F806 WeakPolarHBondContact O-CD2 3.39Å; R802-F806 WeakPolarHBondContact O-CE2 3.34Å; R802-I823 HydrophobicContact CB-CD1 4.38Å; R802-I823 HydrophobicContact CG-CB 4.08Å; R802-I823 HydrophobicContact CG-CD1 3.77Å; R802-I823 HydrophobicContact CG-CG2 4.11Å
803	H	89.7	Confident	92.2	Very high	99 Å²	99	40.8 Å²	40.8	46%	0.458	19%	0.187	S	C	.	.	H	α-helix	trans	-64.8	-41.7	175.2	-173.6	-154	0	0	0	111.9	D800 A805 F806 H807	D800-H803 HydrophobicContact CB-CB 3.86Å; D800-H803 WeakPolarHBondContact O-CB 3.47Å; D800-H803 PolarHBondContact O-N 3.17Å; D800-H803 VanDerWaalsContact O-N 3.11Å; D800-H803 PolarHBondContact OD1-N 3.49Å; H803-A805 VanDerWaalsContact C-N 3.27Å; H803-A805 PolarHBondContact O-N 2.8Å; H803-F806 PolarHBondContact O-N 2.89Å; H803-F806 VanDerWaalsContact O-N 3.09Å; H803-H807 AromaticContact CD2-CE1 3.71Å; H803-H807 AromaticContact CE1-CE1 3.73Å; H803-H807 AromaticContact NE2-CE1 3.5Å; H803-H807 PolarHBondContact NE2-CE1 3.36Å; H803-H807 PolarHBondContact O-ND1 2.85Å
804	A	92.6	Very high	92.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-57.6	-40.3	176.6	0	0	0	0	0	111.7	A775 V777 D800 I801 F806 H807 V810 F820	A775-A804 HydrophobicContact CB-CB 4.18Å; V777-A804 HydrophobicContact CG2-CB 3.72Å; D800-A804 WeakPolarHBondContact O-CB 3.49Å; D800-A804 PolarHBondContact O-N 3.05Å; I801-A804 PolarHBondContact O-N 3.47Å; A804-F806 PolarHBondContact O-N 3.36Å; A804-F806 VanDerWaalsContact O-N 3.17Å; A804-H807 WeakPolarHBondContact O-CB 3.08Å; A804-H807 PolarHBondContact O-N 3.39Å; A804-V810 VanDerWaalsContact O-CG2 3.25Å; A804-V810 WeakPolarHBondContact O-CG2 3.4Å; A804-F820 HydrophobicContact CB-CE1 4.37Å; A804-F820 HydrophobicContact CB-CZ 4.38Å
805	A	92.1	Very high	92.6	Very high	2 Å²	2	36.7 Å²	36.7	2%	0.017	16%	0.163	C	C	.	.	H	α-helix	trans	-63.1	-20.3	178.9	0	0	0	0	0	114.2	I801 R802 H803 F820 I823 I825 H829	I801-A805 PolarHBondContact O-N 3.13Å; R802-A805 PolarHBondContact O-N 3.43Å; H803-A805 VanDerWaalsContact C-N 3.27Å; H803-A805 PolarHBondContact O-N 2.8Å; A805-F820 HydrophobicContact CB-CD1 4.03Å; A805-F820 HydrophobicContact CB-CE1 3.78Å; A805-I823 HydrophobicContact CB-CD1 4.25Å; A805-I825 HydrophobicContact CB-CD1 3.76Å; A805-I825 HydrophobicContact CB-CG1 4.26Å; A805-H829 PolarHBondContact O-CE1 3.48Å; A805-H829 PolarHBondContact O-NE2 2.81Å
806	F	91.4	Very high	92.8	Very high	156 Å²	156	36.3 Å²	36.3	68%	0.684	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-12	174.8	-68.5	-69.9	0	0	0	113.6	R802 H803 A804	R802-F806 WeakPolarHBondContact O-CD2 3.39Å; R802-F806 WeakPolarHBondContact O-CE2 3.34Å; H803-F806 PolarHBondContact O-N 2.89Å; H803-F806 VanDerWaalsContact O-N 3.09Å; A804-F806 PolarHBondContact O-N 3.36Å; A804-F806 VanDerWaalsContact O-N 3.17Å
807	H	94.6	Very high	93.1	Very high	14 Å²	14	28.5 Å²	28.5	7%	0.065	13%	0.13	C	C	.	.	S	Bend	trans	-71.9	144.6	174.3	-68.4	66.2	0	0	0	109.6	A772 A775 H803 A804 I809 V810	A772-H807 PolarHBondContact O-CD2 3.25Å; A775-H807 HydrophobicContact CB-CB 3.93Å; H803-H807 AromaticContact CD2-CE1 3.71Å; H803-H807 AromaticContact CE1-CE1 3.73Å; H803-H807 AromaticContact NE2-CE1 3.5Å; H803-H807 PolarHBondContact NE2-CE1 3.36Å; H803-H807 PolarHBondContact O-ND1 2.85Å; A804-H807 WeakPolarHBondContact O-CB 3.08Å; A804-H807 PolarHBondContact O-N 3.39Å; H807-I809 VanDerWaalsContact C-N 3.31Å; H807-I809 PolarHBondContact O-N 3.48Å; H807-V810 HydrophobicContact CB-CG2 4.41Å
808	R	94.8	Very high	93.4	Very high	61 Å²	61	27.7 Å²	27.7	23%	0.23	12%	0.124	C	C	.	.	S	Bend	trans	-73.1	-29.3	-175.7	-158.8	166.7	170.3	-148.1	-14.4	112.3	Y738 L741 P742 S744 V746 S773	Y738-R808 HydrophobicContact CD2-CB 4.27Å; Y738-R808 HydrophobicContact CD2-CG 4.08Å; Y738-R808 HydrophobicContact CE2-CB 4.11Å; Y738-R808 HydrophobicContact CE2-CG 4.25Å; Y738-R808 PolarHBondContact O-NH1 2.82Å; Y738-R808 PolarHBondContact O-NH2 2.83Å; L741-R808 PolarHBondContact O-NH2 3.36Å; P742-R808 PolarHBondContact O-NE 3.26Å; P742-R808 PolarHBondContact O-NH2 2.75Å; S744-R808 WeakPolarHBondContact O-CG 2.81Å; S744-R808 PolarHBondContact O-NE 3Å; S744-R808 PolarHBondContact OG-NH2 3.1Å; V746-R808 PolarHBondContact N-O 3.43Å; S773-R808 PolarHBondContact O-N 2.83Å
809	I	97.7	Very high	93.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	124	173.7	-53.5	169.7	0	0	0	108.4	I734 Y738 V746 V748 L763 L769 S773 L774 A775 H807 V811	I734-I809 HydrophobicContact CG2-CD1 3.86Å; I734-I809 HydrophobicContact CG2-CG1 4.43Å; I734-I809 HydrophobicContact CG2-CG2 4.33Å; Y738-I809 HydrophobicContact CD2-CD1 3.85Å; Y738-I809 HydrophobicContact CD2-CG1 4.1Å; Y738-I809 HydrophobicContact CG-CD1 4.08Å; V746-I809 HydrophobicContact CB-CG1 4.32Å; V746-I809 HydrophobicContact CG1-CG2 4.44Å; V746-I809 WeakPolarHBondContact O-CA 3.38Å; V748-I809 HydrophobicContact CG2-CG2 4.41Å; L763-I809 HydrophobicContact CD1-CG2 4.29Å; L769-I809 HydrophobicContact CD1-CD1 3.93Å; L769-I809 HydrophobicContact CD2-CD1 3.7Å; L769-I809 HydrophobicContact CG-CD1 4.5Å; S773-I809 PolarHBondContact O-N 2.68Å; L774-I809 WeakPolarHBondContact CA-O 3.23Å; L774-I809 HydrophobicContact CD1-CB 3.98Å; L774-I809 HydrophobicContact CD1-CG2 3.66Å; A775-I809 PolarHBondContact N-O 3.09Å; H807-I809 VanDerWaalsContact C-N 3.31Å; H807-I809 PolarHBondContact O-N 3.48Å; I809-V811 HydrophobicContact CG2-CG2 4.41Å
810	V	98.1	Very high	93.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.1	174.4	177.9	0	0	0	0	108.8	V746 L747 V748 V777 A804 H807 F820 F830	V746-V810 PolarHBondContact O-N 3.21Å; L747-V810 HydrophobicContact CD1-CB 4.05Å; L747-V810 HydrophobicContact CD1-CG1 3.91Å; V748-V810 PolarHBondContact N-O 2.96Å; V777-V810 HydrophobicContact CG2-CG1 3.89Å; A804-V810 VanDerWaalsContact O-CG2 3.25Å; A804-V810 WeakPolarHBondContact O-CG2 3.4Å; H807-V810 HydrophobicContact CB-CG2 4.41Å; V810-F820 HydrophobicContact CG1-CE2 3.88Å; V810-F820 HydrophobicContact CG1-CZ 3.7Å; V810-F830 HydrophobicContact CB-CE1 4.37Å; V810-F830 HydrophobicContact CG2-CE1 4.05Å; V810-F830 HydrophobicContact CG2-CZ 4.29Å
811	V	97.9	Very high	94.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.9	174.6	-176.8	0	0	0	0	109.6	V748 A756 I759 L763 L774 A775 R776 V777 I809	V748-V811 HydrophobicContact CB-CG2 4.21Å; V748-V811 HydrophobicContact CG2-CG2 4.48Å; V748-V811 WeakPolarHBondContact O-CA 3.26Å; A756-V811 HydrophobicContact CB-CG1 3.94Å; A756-V811 WeakPolarHBondContact O-CG1 3.18Å; I759-V811 HydrophobicContact CG2-CG1 4.43Å; I759-V811 HydrophobicContact CG2-CG2 4.26Å; L763-V811 HydrophobicContact CD1-CG2 4.17Å; L774-V811 HydrophobicContact CD1-CG2 3.77Å; A775-V811 PolarHBondContact O-N 3.14Å; R776-V811 CarbonylContact C-O 3.58Å; R776-V811 WeakPolarHBondContact CA-O 3.21Å; R776-V811 PolarHBondContact NH1-O 2.85Å; V777-V811 PolarHBondContact N-O 3.1Å; I809-V811 HydrophobicContact CG2-CG2 4.41Å
812	S	97.1	Very high	93.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	168.9	-175.2	-178.5	0	0	0	0	111.4	V748 C749 T750 S816 A817	V748-S812 PolarHBondContact O-N 3.03Å; C749-S812 VanDerWaalsContact CA-O 3.28Å; C749-S812 WeakPolarHBondContact CA-O 3.33Å; T750-S812 PolarHBondContact N-O 3.1Å; S812-S816 VanDerWaalsContact OG-CB 3.27Å; S812-S816 WeakPolarHBondContact OG-CB 3.48Å; S812-A817 PolarHBondContact OG-N 3.13Å; S812-A817 VanDerWaalsContact OG-N 3.14Å
813	T	96.5	Very high	93.9	Very high	9 Å²	9	20.5 Å²	20.5	6%	0.055	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	157.9	156.3	64	0	0	0	0	110.8	T750 N753 S815 S816 A817	T750-T813 CarbonylContact O-C 3.53Å; T750-T813 WeakPolarHBondContact O-CA 3.48Å; T750-T813 WeakPolarHBondContact O-CB 3.49Å; N753-T813 HydrophobicContact CB-CG2 4.47Å; N753-T813 WeakPolarHBondContact OD1-CG2 3.43Å; T813-S815 PolarHBondContact O-N 3.48Å; T813-S816 PolarHBondContact O-N 2.75Å; T813-S816 VanDerWaalsContact O-N 3.13Å; T813-S816 VanDerWaalsContact OG1-CB 3.3Å; T813-S816 WeakPolarHBondContact OG1-CB 3.47Å; T813-S816 PolarHBondContact OG1-N 3.03Å; T813-S816 PolarHBondContact OG1-OG 2.72Å; T813-A817 PolarHBondContact O-N 3.45Å
814	C	96.9	Very high	93.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-53.8	-51.8	177	-64.7	0	0	0	0	111.3	T750 S816 A817 E845 I848	T750-C814 PolarHBondContact O-N 2.8Å; C814-S816 PolarHBondContact O-N 2.98Å; C814-A817 WeakPolarHBondContact O-CB 3.42Å; C814-A817 PolarHBondContact O-N 3.41Å; C814-E845 HydrophobicContact CB-CG 3.52Å; C814-I848 VanDerWaalsContact O-CG2 3.23Å; C814-I848 WeakPolarHBondContact O-CG2 3.27Å
815	S	94.6	Very high	93.8	Very high	13 Å²	13	18.5 Å²	18.5	9%	0.091	9%	0.094	C	C	.	.	H	α-helix	trans	-58.6	-45.7	174.9	179.3	0	0	0	0	112.5	T613 R616 T813 A817 G818	T613-S815 PolarHBondContact OG1-OG 2.88Å; R616-S815 WeakPolarHBondContact CD-O 3.5Å; R616-S815 VanDerWaalsContact CZ-O 3.26Å; R616-S815 PolarHBondContact NE-O 3.04Å; R616-S815 PolarHBondContact NH1-O 3.3Å; R616-S815 PolarHBondContact NH1-OG 3.46Å; T813-S815 PolarHBondContact O-N 3.48Å; S815-A817 VanDerWaalsContact C-N 3.26Å; S815-A817 PolarHBondContact O-N 2.93Å; S815-G818 PolarHBondContact O-N 3.35Å; S815-G818 VanDerWaalsContact O-N 3.08Å
816	S	94.1	Very high	93.4	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.014	13%	0.125	C	C	.	.	H	α-helix	trans	-66.5	-26.3	-177.1	-60.3	0	0	0	0	113.3	A779 S812 T813 C814 G818 M819	A779-S816 PolarHBondContact N-OG 2.89Å; S812-S816 VanDerWaalsContact OG-CB 3.27Å; S812-S816 WeakPolarHBondContact OG-CB 3.48Å; T813-S816 PolarHBondContact O-N 2.75Å; T813-S816 VanDerWaalsContact O-N 3.13Å; T813-S816 VanDerWaalsContact OG1-CB 3.3Å; T813-S816 WeakPolarHBondContact OG1-CB 3.47Å; T813-S816 PolarHBondContact OG1-N 3.03Å; T813-S816 PolarHBondContact OG1-OG 2.72Å; C814-S816 PolarHBondContact O-N 2.98Å; S816-G818 PolarHBondContact O-N 2.93Å; S816-M819 WeakPolarHBondContact O-CB 3.48Å; S816-M819 VanDerWaalsContact O-CG 3.3Å; S816-M819 WeakPolarHBondContact O-CG 3.23Å; S816-M819 PolarHBondContact O-N 3.47Å
817	A	96	Very high	93.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.6	-25.4	174.4	0	0	0	0	0	112.1	L747 S812 T813 C814 S815 M819 F820 I848 P849 F852	L747-A817 HydrophobicContact CD2-CB 4.4Å; S812-A817 PolarHBondContact OG-N 3.13Å; S812-A817 VanDerWaalsContact OG-N 3.14Å; T813-A817 PolarHBondContact O-N 3.45Å; C814-A817 WeakPolarHBondContact O-CB 3.42Å; C814-A817 PolarHBondContact O-N 3.41Å; S815-A817 VanDerWaalsContact C-N 3.26Å; S815-A817 PolarHBondContact O-N 2.93Å; A817-M819 PolarHBondContact O-N 3.25Å; A817-F820 WeakPolarHBondContact O-CB 3.39Å; A817-F820 VanDerWaalsContact O-CD2 3.29Å; A817-F820 WeakPolarHBondContact O-CD2 3.48Å; A817-F820 PolarHBondContact O-N 3.09Å; A817-I848 HydrophobicContact CB-CG2 4.4Å; A817-P849 HydrophobicContact CB-CB 4.5Å; A817-F852 WeakPolarHBondContact O-CE2 3.49Å; A817-F852 WeakPolarHBondContact O-CZ 3.26Å
818	G	93.9	Very high	93.2	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.01	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-15.7	173.4	0	0	0	0	0	114.4	S815 S816 F820 H821 N822	S815-G818 PolarHBondContact O-N 3.35Å; S815-G818 VanDerWaalsContact O-N 3.08Å; S816-G818 PolarHBondContact O-N 2.93Å; G818-F820 PolarHBondContact O-N 3.45Å; G818-H821 WeakPolarHBondContact O-CB 3.48Å; G818-H821 PolarHBondContact O-N 3.04Å; G818-N822 PolarHBondContact O-OD1 2.89Å
819	M	92.2	Very high	93.2	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.025	12%	0.12	C	C	.	.	H	α-helix	trans	-63.7	-23.9	171.7	-65	-173.9	-161.2	0	0	113.1	I801 S816 A817 H821 N822 I823	I801-M819 HydrophobicContact CD1-CB 4.31Å; I801-M819 HydrophobicContact CD1-SD 3.76Å; I801-M819 HydrophobicContact CG1-CB 4.21Å; I801-M819 HydrophobicContact CG1-SD 4.2Å; I801-M819 HydrophobicContact CG2-CB 4.06Å; S816-M819 WeakPolarHBondContact O-CB 3.48Å; S816-M819 VanDerWaalsContact O-CG 3.3Å; S816-M819 WeakPolarHBondContact O-CG 3.23Å; S816-M819 PolarHBondContact O-N 3.47Å; A817-M819 PolarHBondContact O-N 3.25Å; M819-H821 VanDerWaalsContact C-N 3.33Å; M819-N822 WeakPolarHBondContact O-CB 3.4Å; M819-N822 PolarHBondContact O-N 2.97Å; M819-I823 PolarHBondContact O-N 3.01Å
820	F	93.9	Very high	93.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-68.4	-32.2	177	-69.3	-62.8	0	0	0	112.4	L747 V777 I801 A804 A805 V810 A817 G818 N822 I823 G824 I825 F830 F852	L747-F820 HydrophobicContact CD1-CE2 4.27Å; V777-F820 HydrophobicContact CG2-CE2 4.48Å; V777-F820 HydrophobicContact CG2-CZ 3.95Å; I801-F820 HydrophobicContact CG2-CD1 3.6Å; I801-F820 HydrophobicContact CG2-CE1 3.64Å; I801-F820 HydrophobicContact CG2-CG 4.34Å; I801-F820 HydrophobicContact CG2-CZ 4.41Å; I801-F820 WeakPolarHBondContact O-CE1 2.91Å; A804-F820 HydrophobicContact CB-CE1 4.37Å; A804-F820 HydrophobicContact CB-CZ 4.38Å; A805-F820 HydrophobicContact CB-CD1 4.03Å; A805-F820 HydrophobicContact CB-CE1 3.78Å; V810-F820 HydrophobicContact CG1-CE2 3.88Å; V810-F820 HydrophobicContact CG1-CZ 3.7Å; A817-F820 WeakPolarHBondContact O-CB 3.39Å; A817-F820 VanDerWaalsContact O-CD2 3.29Å; A817-F820 WeakPolarHBondContact O-CD2 3.48Å; A817-F820 PolarHBondContact O-N 3.09Å; G818-F820 PolarHBondContact O-N 3.45Å; F820-N822 VanDerWaalsContact C-N 3.3Å; F820-N822 PolarHBondContact O-N 2.96Å; F820-I823 HydrophobicContact CD1-CD1 4.11Å; F820-I823 WeakPolarHBondContact O-CG1 3.43Å; F820-I823 PolarHBondContact O-N 2.61Å; F820-G824 PolarHBondContact O-N 2.87Å; F820-I825 HydrophobicContact CB-CB 4.17Å; F820-I825 HydrophobicContact CB-CG1 4.05Å; F820-I825 HydrophobicContact CD1-CG1 4.11Å; F820-I825 PolarHBondContact O-N 2.96Å; F820-I825 VanDerWaalsContact O-N 3.14Å; F820-F830 HydrophobicContact CD2-CE2 4.18Å; F820-F830 HydrophobicContact CD2-CZ 4.4Å; F820-F830 HydrophobicContact CE2-CE2 4.45Å; F820-F830 HydrophobicContact CE2-CZ 4.24Å; F820-F830 HydrophobicContact CG-CE2 4.31Å; F820-F830 HydrophobicContact CZ-CZ 4.3Å; F820-F852 HydrophobicContact CB-CD1 4.44Å; F820-F852 HydrophobicContact CB-CE1 3.55Å; F820-F852 HydrophobicContact CB-CE2 4.24Å; F820-F852 HydrophobicContact CB-CZ 3.44Å; F820-F852 VanDerWaalsContact CB-CZ 3.44Å
821	H	91.1	Very high	93	Very high	32 Å²	32	23.4 Å²	23.4	15%	0.148	13%	0.133	C	C	.	.	H	α-helix	trans	-62.1	-40	170.6	-70.4	-45.9	0	0	0	111.5	L623 G818 M819 I823 G824 S851 F852	L623-H821 WeakPolarHBondContact CD1-CE1 3.11Å; L623-H821 WeakPolarHBondContact CD1-NE2 3.12Å; G818-H821 WeakPolarHBondContact O-CB 3.48Å; G818-H821 PolarHBondContact O-N 3.04Å; M819-H821 VanDerWaalsContact C-N 3.33Å; H821-I823 PolarHBondContact O-N 2.8Å; H821-G824 PolarHBondContact O-N 3.23Å; H821-S851 PolarHBondContact CE1-OG 3.26Å; H821-S851 VanDerWaalsContact CE1-OG 3.27Å; H821-S851 PolarHBondContact NE2-OG 3.19Å; H821-F852 AromaticContact CD2-CZ 3.45Å; H821-F852 VanDerWaalsContact CD2-CZ 3.45Å; H821-F852 WeakPolarHBondContact CD2-CZ 3.3Å; H821-F852 AromaticContact CE1-CD1 3.73Å; H821-F852 AromaticContact CE1-CE1 3.12Å; H821-F852 WeakPolarHBondContact CE1-CE1 3.34Å; H821-F852 AromaticContact CE1-CE2 3.96Å; H821-F852 AromaticContact CE1-CZ 3.24Å; H821-F852 WeakPolarHBondContact CE1-CZ 3.15Å; H821-F852 AromaticContact CG-CE1 3.82Å; H821-F852 AromaticContact CG-CZ 3.6Å; H821-F852 AromaticContact ND1-CE1 3.24Å; H821-F852 WeakPolarHBondContact ND1-CE1 3.16Å; H821-F852 AromaticContact ND1-CZ 3.5Å; H821-F852 AromaticContact NE2-CE1 3.65Å; H821-F852 AromaticContact NE2-CE2 3.66Å; H821-F852 AromaticContact NE2-CZ 3.21Å; H821-F852 WeakPolarHBondContact NE2-CZ 3.49Å
822	N	87.7	Confident	93	Very high	11 Å²	11	23.7 Å²	23.7	6%	0.059	14%	0.135	C	C	.	.	H	α-helix	trans	-65.8	-22.2	179.9	-66.2	109.7	0	0	0	113.9	L465 P466 N467 G818 M819 F820	L465-N822 HydrophobicContact CB-CB 4Å; L465-N822 HydrophobicContact CD1-CB 4.08Å; L465-N822 HydrophobicContact CD2-CB 3.94Å; L465-N822 HydrophobicContact CG-CB 4.22Å; P466-N822 WeakPolarHBondContact CD-O 3.16Å; P466-N822 WeakPolarHBondContact CG-O 3.38Å; N467-N822 VanDerWaalsContact CB-O 3.32Å; N467-N822 WeakPolarHBondContact CB-O 3.35Å; N467-N822 PolarHBondContact N-O 3.27Å; N467-N822 PolarHBondContact O-ND2 3.38Å; G818-N822 PolarHBondContact O-OD1 2.89Å; M819-N822 WeakPolarHBondContact O-CB 3.4Å; M819-N822 PolarHBondContact O-N 2.97Å; F820-N822 VanDerWaalsContact C-N 3.3Å; F820-N822 PolarHBondContact O-N 2.96Å
823	I	89.3	Confident	93.1	Very high	25 Å²	25	23.7 Å²	23.7	13%	0.128	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	3.7	173.7	65.3	155.7	0	0	0	113	L465 I801 R802 A805 M819 F820 H821 I825	L465-I823 HydrophobicContact CD2-CG2 3.71Å; I801-I823 HydrophobicContact CB-CD1 4.48Å; I801-I823 HydrophobicContact CB-CG2 4.16Å; I801-I823 HydrophobicContact CG2-CD1 3.89Å; I801-I823 HydrophobicContact CG2-CG1 4.15Å; I801-I823 HydrophobicContact CG2-CG2 4.15Å; R802-I823 HydrophobicContact CB-CD1 4.38Å; R802-I823 HydrophobicContact CG-CB 4.08Å; R802-I823 HydrophobicContact CG-CD1 3.77Å; R802-I823 HydrophobicContact CG-CG2 4.11Å; A805-I823 HydrophobicContact CB-CD1 4.25Å; M819-I823 PolarHBondContact O-N 3.01Å; F820-I823 HydrophobicContact CD1-CD1 4.11Å; F820-I823 WeakPolarHBondContact O-CG1 3.43Å; F820-I823 PolarHBondContact O-N 2.61Å; H821-I823 PolarHBondContact O-N 2.8Å; I823-I825 HydrophobicContact CD1-CD1 4.02Å; I823-I825 HydrophobicContact CD1-CG1 3.73Å; I823-I825 HydrophobicContact CG1-CG1 3.88Å
824	G	87.7	Confident	93.2	Very high	28 Å²	28	23.3 Å²	23.3	29%	0.289	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	24.9	175.1	0	0	0	0	0	115.3	F820 H821 Q826	F820-G824 PolarHBondContact O-N 2.87Å; H821-G824 PolarHBondContact O-N 3.23Å; G824-Q826 PolarHBondContact O-N 3.18Å; G824-Q826 PolarHBondContact O-NE2 3.08Å
825	I	91.3	Very high	93.2	Very high	30 Å²	30	23.4 Å²	23.4	15%	0.154	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-59.9	129.6	169.7	-66.7	-58.7	0	0	0	109	A805 F820 I823 H829 F852	A805-I825 HydrophobicContact CB-CD1 3.76Å; A805-I825 HydrophobicContact CB-CG1 4.26Å; F820-I825 HydrophobicContact CB-CB 4.17Å; F820-I825 HydrophobicContact CB-CG1 4.05Å; F820-I825 HydrophobicContact CD1-CG1 4.11Å; F820-I825 PolarHBondContact O-N 2.96Å; F820-I825 VanDerWaalsContact O-N 3.14Å; I823-I825 HydrophobicContact CD1-CD1 4.02Å; I823-I825 HydrophobicContact CD1-CG1 3.73Å; I823-I825 HydrophobicContact CG1-CG1 3.88Å; I825-H829 HydrophobicContact CG2-CB 3.42Å; I825-H829 VanDerWaalsContact CG2-CB 3.42Å; I825-F852 HydrophobicContact CB-CD1 4.46Å; I825-F852 HydrophobicContact CB-CE1 4.29Å; I825-F852 HydrophobicContact CG2-CD1 3.92Å; I825-F852 HydrophobicContact CG2-CE1 4.25Å
826	Q	85.5	Confident	93.3	Very high	144 Å²	144	22.9 Å²	22.9	67%	0.673	13%	0.129	S	C	*	.	P	Polyproline II helix	trans	-87.3	160.6	-178.5	-58.1	-61.5	-53.6	0	0	111.5	G824 H829	G824-Q826 PolarHBondContact O-N 3.18Å; G824-Q826 PolarHBondContact O-NE2 3.08Å; Q826-H829 WeakPolarHBondContact O-CB 3.41Å; Q826-H829 PolarHBondContact O-N 3.17Å
827	E	89	Confident	93.4	Very high	79 Å²	79	24 Å²	24	37%	0.369	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	139.1	167.7	-169.6	-172.3	143.4	0	0	110.6	H626 H829 V853 S854 E855	H626-E827 IonicContact CD2-OE2 3.09Å; H626-E827 IonicContact CE1-OE2 2.97Å; H626-E827 IonicContact NE2-OE1 2.67Å; H626-E827 IonicContact NE2-OE2 2.8Å; H626-E827 PolarHBondContact NE2-OE2 3.39Å; E827-H829 VanDerWaalsContact C-N 3.3Å; E827-H829 PolarHBondContact O-N 3.21Å; E827-V853 WeakPolarHBondContact CG-O 3.3Å; E827-S854 WeakPolarHBondContact OE1-CA 3.38Å; E827-E855 PolarHBondContact OE1-N 3.17Å
828	G	91.3	Very high	93.4	Very high	34 Å²	34	24 Å²	24	35%	0.351	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	-4	179.8	0	0	0	0	0	114.6	F830 F852	G828-F830 VanDerWaalsContact C-N 3.3Å; G828-F830 PolarHBondContact O-N 3.41Å; G828-F852 PolarHBondContact N-O 3.07Å
829	H	94.4	Very high	93.4	Very high	33 Å²	33	24.2 Å²	24.2	15%	0.153	14%	0.136	C	C	.	.	S	Bend	trans	-61.4	-40.9	172.1	176.1	91	0	0	0	111.8	R745 A805 I825 Q826 E827	R745-H829 WeakPolarHBondContact CB-O 3.43Å; R745-H829 WeakPolarHBondContact CD-O 3.42Å; R745-H829 PolarHBondContact NH1-CE1 2.92Å; R745-H829 PolarHBondContact NH1-ND1 3.31Å; A805-H829 PolarHBondContact O-CE1 3.48Å; A805-H829 PolarHBondContact O-NE2 2.81Å; I825-H829 HydrophobicContact CG2-CB 3.42Å; I825-H829 VanDerWaalsContact CG2-CB 3.42Å; Q826-H829 WeakPolarHBondContact O-CB 3.41Å; Q826-H829 PolarHBondContact O-N 3.17Å; E827-H829 VanDerWaalsContact C-N 3.3Å; E827-H829 PolarHBondContact O-N 3.21Å
830	F	96.9	Very high	93.5	Very high	1 Å²	1	25.8 Å²	25.8	0%	0.004	14%	0.143	C	C	.	.			trans	-95.1	122.9	170	-66.7	-70.8	0	0	0	108.6	R745 L747 V810 F820 G828 F852 V853	R745-F830 HydrophobicContact CB-CD1 4.29Å; L747-F830 HydrophobicContact CB-CB 4.22Å; L747-F830 HydrophobicContact CB-CD1 3.69Å; L747-F830 HydrophobicContact CB-CD2 4.11Å; L747-F830 HydrophobicContact CB-CE1 4.02Å; L747-F830 HydrophobicContact CB-CE2 4.42Å; L747-F830 HydrophobicContact CB-CG 3.74Å; L747-F830 HydrophobicContact CB-CZ 4.37Å; L747-F830 HydrophobicContact CD1-CZ 4.37Å; L747-F830 HydrophobicContact CD2-CD2 3.95Å; L747-F830 HydrophobicContact CD2-CE2 4.08Å; L747-F830 HydrophobicContact CD2-CG 4.4Å; V810-F830 HydrophobicContact CB-CE1 4.37Å; V810-F830 HydrophobicContact CG2-CE1 4.05Å; V810-F830 HydrophobicContact CG2-CZ 4.29Å; F820-F830 HydrophobicContact CD2-CE2 4.18Å; F820-F830 HydrophobicContact CD2-CZ 4.4Å; F820-F830 HydrophobicContact CE2-CE2 4.45Å; F820-F830 HydrophobicContact CE2-CZ 4.24Å; F820-F830 HydrophobicContact CG-CE2 4.31Å; F820-F830 HydrophobicContact CZ-CZ 4.3Å; G828-F830 VanDerWaalsContact C-N 3.3Å; G828-F830 PolarHBondContact O-N 3.41Å; F830-F852 HydrophobicContact CB-CB 4.4Å; F830-F852 HydrophobicContact CD2-CB 3.72Å; F830-F852 HydrophobicContact CD2-CG 4.09Å; F830-V853 WeakPolarHBondContact O-CA 3.45Å; F830-V853 WeakPolarHBondContact O-CG1 3.49Å
831	T	96.6	Very high	93.6	Very high	44 Å²	44	25.8 Å²	25.8	27%	0.27	14%	0.143	S	C	.	.	S	Bend	trans	-81.2	-29.3	178.1	55.5	0	0	0	0	112.2	S744 R745 Q859	S744-T831 WeakPolarHBondContact CA-OG1 3.2Å; R745-T831 PolarHBondContact N-OG1 3.3Å; R745-T831 PolarHBondContact O-N 3.39Å; R745-T831 PolarHBondContact O-OG1 3.25Å; T831-Q859 PolarHBondContact O-N 3.13Å
832	H	97.9	Very high	93.9	Very high	7 Å²	7	25.2 Å²	25.2	3%	0.032	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	131.4	-177.2	-59.6	64.3	0	0	0	109.5	R745 V746 L747 F834 Q859	R745-H832 PolarHBondContact O-N 3.28Å; R745-H832 VanDerWaalsContact O-N 3.1Å; V746-H832 HydrophobicContact CG2-CB 4.34Å; L747-H832 PolarHBondContact N-O 3.2Å; H832-F834 HydrophobicContact CB-CD2 4.37Å; H832-F834 HydrophobicContact CB-CE2 3.67Å; H832-F834 HydrophobicContact CB-CZ 4.33Å; H832-Q859 CarbonylContact C-O 3.6Å; H832-Q859 WeakPolarHBondContact CA-O 3.41Å; H832-Q859 PolarHBondContact CD2-OE1 3.24Å; H832-Q859 PolarHBondContact NE2-OE1 3.23Å
833	V	98.3	Very high	94.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.4	172.1	162.9	0	0	0	0	109.5	L747 L835 P849 I850 V853 Q859 I860 V861	L747-V833 HydrophobicContact CB-CG2 4.08Å; L747-V833 HydrophobicContact CD2-CG2 4.22Å; L747-V833 HydrophobicContact CG-CG2 4.5Å; L747-V833 CarbonylContact O-C 3.57Å; L747-V833 WeakPolarHBondContact O-CA 3.43Å; V833-L835 HydrophobicContact CG1-CD1 3.3Å; V833-P849 HydrophobicContact CG1-CB 4.04Å; V833-P849 WeakPolarHBondContact CG2-O 3.34Å; V833-I850 HydrophobicContact CG1-CG1 4.32Å; V833-V853 HydrophobicContact CB-CG1 3.79Å; V833-V853 HydrophobicContact CG2-CG1 3.35Å; V833-Q859 PolarHBondContact N-O 2.9Å; V833-I860 CarbonylContact O-C 3.5Å; V833-I860 WeakPolarHBondContact O-CA 3.06Å; V833-V861 PolarHBondContact O-N 3.04Å
834	F	98.5	Very high	94.8	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123	175.5	-63.9	-90.3	0	0	0	109.1	V706 L730 I733 I734 V737 V746 L747 V748 C749 H832 V861	V706-F834 HydrophobicContact CG1-CE1 4.18Å; V706-F834 HydrophobicContact CG1-CZ 4.4Å; L730-F834 HydrophobicContact CD1-CB 4.29Å; L730-F834 HydrophobicContact CD1-CD1 3.58Å; L730-F834 HydrophobicContact CD1-CE1 4.37Å; L730-F834 HydrophobicContact CD1-CG 4.3Å; I733-F834 HydrophobicContact CG2-CE1 3.45Å; I733-F834 VanDerWaalsContact CG2-CE1 3.45Å; I733-F834 HydrophobicContact CG2-CZ 3.8Å; I734-F834 HydrophobicContact CG1-CD2 4.34Å; I734-F834 HydrophobicContact CG1-CE2 4.35Å; V737-F834 HydrophobicContact CG2-CZ 4.38Å; V746-F834 HydrophobicContact CG1-CD2 3.56Å; V746-F834 HydrophobicContact CG1-CE2 3.57Å; V746-F834 HydrophobicContact CG2-CE2 4.47Å; L747-F834 PolarHBondContact O-N 2.82Å; V748-F834 CarbonylContact C-O 3.55Å; V748-F834 WeakPolarHBondContact CA-O 3.39Å; V748-F834 HydrophobicContact CB-CB 4.49Å; V748-F834 HydrophobicContact CG1-CB 4.13Å; V748-F834 HydrophobicContact CG2-CB 4.33Å; V748-F834 HydrophobicContact CG2-CD2 4.38Å; C749-F834 PolarHBondContact N-O 3.35Å; H832-F834 HydrophobicContact CB-CD2 4.37Å; H832-F834 HydrophobicContact CB-CE2 3.67Å; H832-F834 HydrophobicContact CB-CZ 4.33Å; F834-V861 CarbonylContact C-O 3.57Å; F834-V861 WeakPolarHBondContact CA-O 3.46Å; F834-V861 HydrophobicContact CD1-CB 3.48Å; F834-V861 VanDerWaalsContact CD1-CB 3.48Å; F834-V861 HydrophobicContact CD1-CG1 3.81Å; F834-V861 HydrophobicContact CD1-CG2 3.84Å; F834-V861 HydrophobicContact CE1-CB 3.78Å; F834-V861 HydrophobicContact CE1-CG1 4.14Å; F834-V861 HydrophobicContact CE1-CG2 3.57Å; F834-V861 HydrophobicContact CG-CB 4.34Å; F834-V861 HydrophobicContact CZ-CG2 4.38Å
835	L	98.1	Very high	95.3	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	112.1	169.4	-85.8	64.3	0	0	0	108.9	C749 V833 A838 P849 V861 L862 A863	C749-L835 HydrophobicContact CB-CD1 4.38Å; C749-L835 HydrophobicContact CB-CG 4.45Å; C749-L835 VanDerWaalsContact O-CA 3.3Å; C749-L835 WeakPolarHBondContact O-CA 3.32Å; V833-L835 HydrophobicContact CG1-CD1 3.3Å; L835-A838 HydrophobicContact CB-CB 4.02Å; L835-P849 HydrophobicContact CD1-CB 4.12Å; L835-P849 HydrophobicContact CD1-CG 3.62Å; L835-P849 HydrophobicContact CD2-CG 4.14Å; L835-P849 HydrophobicContact CG-CG 4.12Å; L835-V861 PolarHBondContact N-O 3.18Å; L835-L862 HydrophobicContact CB-CD2 3.99Å; L835-L862 HydrophobicContact CD2-CD2 4.1Å; L835-L862 HydrophobicContact CG-CD2 4.47Å; L835-A863 PolarHBondContact O-N 2.9Å
836	D	96.8	Very high	95.6	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.016	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	150.3	167.2	-159.5	8.6	0	0	0	109.9	T727 L730 C749 T750 P751 I759 A838 A863	T727-D836 PolarHBondContact OG1-OD2 2.99Å; L730-D836 HydrophobicContact CD2-CB 3.72Å; C749-D836 PolarHBondContact O-N 3.16Å; T750-D836 HydrophobicContact CG2-CB 3.96Å; P751-D836 VanDerWaalsContact CD-O 3.24Å; P751-D836 WeakPolarHBondContact CD-O 3.37Å; I759-D836 HydrophobicContact CD1-CB 3.77Å; D836-A838 PolarHBondContact O-N 2.93Å; D836-A863 CarbonylContact C-O 3.57Å
837	E	94.9	Very high	96.2	Very high	24 Å²	24	15.4 Å²	15.4	11%	0.112	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	36.5	-171.5	-61.4	-65.4	155.3	0	0	112.8	P751 G839 Q840 A863	P751-E837 WeakPolarHBondContact CG-O 3.33Å; E837-G839 PolarHBondContact O-N 2.96Å; E837-Q840 PolarHBondContact O-N 3.34Å; E837-Q840 PolarHBondContact OE2-NE2 3.35Å; E837-A863 PolarHBondContact N-O 3.18Å
838	A	96.4	Very high	96.6	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.008	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-57.5	-24	-175.6	0	0	0	0	0	113.8	L835 D836 Q840 A841 L862 A863 L888	L835-A838 HydrophobicContact CB-CB 4.02Å; D836-A838 PolarHBondContact O-N 2.93Å; A838-Q840 PolarHBondContact O-N 3.43Å; A838-A841 PolarHBondContact O-N 3.11Å; A838-L862 HydrophobicContact CB-CB 4.1Å; A838-L862 HydrophobicContact CB-CD2 4.4Å; A838-A863 PolarHBondContact N-O 2.87Å; A838-L888 HydrophobicContact CB-CB 4.25Å; A838-L888 HydrophobicContact CB-CD2 4.36Å
839	G	94.5	Very high	96.9	Very high	5 Å²	5	10 Å²	10	5%	0.052	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-64.2	-24	173.9	0	0	0	0	0	114.2	E837 G870 P871 S886	E837-G839 PolarHBondContact O-N 2.96Å; G839-G870 VanDerWaalsContact O-CA 3.31Å; G839-G870 WeakPolarHBondContact O-CA 3.25Å; G839-P871 WeakPolarHBondContact O-CD 3.38Å; G839-S886 WeakPolarHBondContact O-CB 3.35Å
840	Q	93.8	Very high	97	Very high	38 Å²	38	8.5 Å²	8.5	18%	0.178	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-88.9	-15.4	-178.9	-63.3	176.5	34.4	0	0	113.6	P751 E837 A838 P871	P751-Q840 HydrophobicContact CB-CB 4.3Å; P751-Q840 HydrophobicContact CG-CB 4.04Å; E837-Q840 PolarHBondContact O-N 3.34Å; E837-Q840 PolarHBondContact OE2-NE2 3.35Å; A838-Q840 PolarHBondContact O-N 3.43Å; Q840-P871 VanDerWaalsContact O-CA 3.3Å; Q840-P871 WeakPolarHBondContact O-CA 3.43Å; Q840-P871 WeakPolarHBondContact O-CB 3.35Å
841	A	95.8	Very high	97	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.048	C	C	.	.	S	Bend	trans	-84.1	136.4	175.9	0	0	0	0	0	110.6	P751 A838 E845 S846 P871 S886	P751-A841 HydrophobicContact CG-CB 3.85Å; A838-A841 PolarHBondContact O-N 3.11Å; A841-E845 HydrophobicContact CB-CB 4.29Å; A841-E845 HydrophobicContact CB-CG 4.19Å; A841-S846 VanDerWaalsContact CB-OG 3.31Å; A841-S846 WeakPolarHBondContact CB-OG 3.16Å; A841-P871 VanDerWaalsContact O-CG 3.3Å; A841-P871 WeakPolarHBondContact O-CG 3.45Å; A841-S886 VanDerWaalsContact O-CB 3.29Å; A841-S886 WeakPolarHBondContact O-CB 3.36Å
842	T	97.7	Very high	96.9	Very high	20 Å²	20	6.7 Å²	6.7	12%	0.123	4%	0.035	C	C	.	.			trans	-57.5	152.2	164.7	62.8	0	0	0	0	109.1	P844 E845 S846 P871 V873 L883	T842-P844 VanDerWaalsContact C-N 3.35Å; T842-E845 PolarHBondContact O-N 2.88Å; T842-E845 VanDerWaalsContact OG1-CB 3.26Å; T842-E845 WeakPolarHBondContact OG1-CB 3.23Å; T842-E845 PolarHBondContact OG1-N 3.43Å; T842-S846 PolarHBondContact O-N 2.85Å; T842-S846 PolarHBondContact O-OG 3.46Å; T842-P871 HydrophobicContact CG2-CB 3.5Å; T842-P871 VanDerWaalsContact CG2-CB 3.5Å; T842-P871 HydrophobicContact CG2-CG 4.09Å; T842-V873 HydrophobicContact CG2-CG2 4.46Å; T842-L883 HydrophobicContact CG2-CD1 4.4Å; T842-L883 HydrophobicContact CG2-CG 4.34Å
843	E	97.6	Very high	96.8	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.009	3%	0.034	C	C	.	.	H	α-helix	trans	-53.8	-47.4	176.6	174.2	164.4	174.7	0	0	112.2	M504 F508 E845 S846 L847 L887 R890	M504-E843 HydrophobicContact CE-CG 4.16Å; M504-E843 WeakPolarHBondContact CE-OE1 3.46Å; F508-E843 HydrophobicContact CE1-CB 4.08Å; F508-E843 HydrophobicContact CE1-CG 4.49Å; F508-E843 HydrophobicContact CE2-CG 4.18Å; F508-E843 HydrophobicContact CZ-CB 3.93Å; F508-E843 HydrophobicContact CZ-CG 3.95Å; F508-E843 WeakPolarHBondContact CZ-OE2 3.43Å; E843-E845 VanDerWaalsContact C-N 3.3Å; E843-E845 PolarHBondContact O-N 3.14Å; E843-S846 WeakPolarHBondContact O-CB 2.99Å; E843-S846 PolarHBondContact O-N 3.26Å; E843-S846 VanDerWaalsContact O-N 3.11Å; E843-L847 WeakPolarHBondContact O-CG 3.25Å; E843-L847 PolarHBondContact O-N 2.91Å; E843-L847 VanDerWaalsContact O-N 3.16Å; E843-L887 HydrophobicContact CB-CB 4.24Å; E843-L887 HydrophobicContact CG-CB 4.08Å; E843-L887 HydrophobicContact CG-CD1 4.3Å; E843-R890 IonicContact OE1-CZ 3.27Å; E843-R890 IonicContact OE1-NE 2.69Å; E843-R890 PolarHBondContact OE1-NE 2.87Å; E843-R890 IonicContact OE1-NH2 3.09Å; E843-R890 PolarHBondContact OE1-NH2 3.34Å; E843-R890 IonicContact OE2-CZ 3.87Å; E843-R890 IonicContact OE2-NE 3.09Å; E843-R890 PolarHBondContact OE2-NE 2.93Å; E843-R890 IonicContact OE2-NH2 2.62Å
844	P	98.1	Very high	96.6	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-60.1	-33.3	174.9	-26.7	37.3	0	0	0	114.9	F508 L512 C617 L621 T842 L847 L883	F508-P844 HydrophobicContact CB-CG 3.93Å; F508-P844 HydrophobicContact CD1-CG 3.61Å; F508-P844 HydrophobicContact CE1-CG 4.35Å; F508-P844 HydrophobicContact CG-CG 3.92Å; L512-P844 HydrophobicContact CD1-CB 4.08Å; L512-P844 HydrophobicContact CD1-CG 4.38Å; L512-P844 HydrophobicContact CD2-CB 4.31Å; L512-P844 HydrophobicContact CD2-CG 4.44Å; L512-P844 HydrophobicContact CG-CB 4.49Å; L512-P844 HydrophobicContact CG-CG 4.43Å; C617-P844 HydrophobicContact CB-CB 3.74Å; L621-P844 HydrophobicContact CD1-CB 4.24Å; L621-P844 HydrophobicContact CD1-CG 4.35Å; L621-P844 HydrophobicContact CD2-CG 4.49Å; L621-P844 HydrophobicContact CG-CB 4.29Å; T842-P844 VanDerWaalsContact C-N 3.35Å; P844-L847 PolarHBondContact O-N 3.2Å; P844-L883 HydrophobicContact CG-CD1 4.3Å
845	E	98.1	Very high	96.2	Very high	30 Å²	30	10.7 Å²	10.7	14%	0.14	6%	0.056	C	C	.	.	H	α-helix	trans	-69.6	-38.4	175.7	178	174.2	-156.3	0	0	111.8	C814 A841 T842 E843 L847 I848 P849	C814-E845 HydrophobicContact CB-CG 3.52Å; A841-E845 HydrophobicContact CB-CB 4.29Å; A841-E845 HydrophobicContact CB-CG 4.19Å; T842-E845 PolarHBondContact O-N 2.88Å; T842-E845 VanDerWaalsContact OG1-CB 3.26Å; T842-E845 WeakPolarHBondContact OG1-CB 3.23Å; T842-E845 PolarHBondContact OG1-N 3.43Å; E843-E845 VanDerWaalsContact C-N 3.3Å; E843-E845 PolarHBondContact O-N 3.14Å; E845-L847 PolarHBondContact O-N 3.27Å; E845-I848 HydrophobicContact CG-CD1 4.46Å; E845-I848 WeakPolarHBondContact O-CB 3.41Å; E845-I848 PolarHBondContact O-N 2.72Å; E845-P849 WeakPolarHBondContact O-CD 3.2Å
846	S	98	Very high	95.8	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.007	9%	0.089	C	C	.	.	H	α-helix	trans	-63.1	-30.5	175.5	-59	0	0	0	0	112	A841 T842 E843 I848 P849 I850	A841-S846 VanDerWaalsContact CB-OG 3.31Å; A841-S846 WeakPolarHBondContact CB-OG 3.16Å; T842-S846 PolarHBondContact O-N 2.85Å; T842-S846 PolarHBondContact O-OG 3.46Å; E843-S846 WeakPolarHBondContact O-CB 2.99Å; E843-S846 PolarHBondContact O-N 3.26Å; E843-S846 VanDerWaalsContact O-N 3.11Å; S846-I848 VanDerWaalsContact C-N 3.27Å; S846-I848 PolarHBondContact O-N 3.28Å; S846-P849 VanDerWaalsContact O-CD 3.28Å; S846-P849 WeakPolarHBondContact O-CD 3.41Å; S846-P849 WeakPolarHBondContact O-CG 3.32Å; S846-I850 WeakPolarHBondContact O-CD1 3.19Å; S846-I850 VanDerWaalsContact O-CG1 3.3Å; S846-I850 WeakPolarHBondContact O-CG1 3.19Å; S846-I850 PolarHBondContact O-N 3.17Å
847	L	97.6	Very high	95.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-68.7	-22.9	177.8	-63.3	174.8	0	0	0	113.4	M504 A620 L621 T624 L631 E843 P844 E845 I850 S851	M504-L847 HydrophobicContact CE-CD1 3.69Å; A620-L847 HydrophobicContact CB-CB 3.89Å; L621-L847 HydrophobicContact CD2-CD1 3.61Å; L621-L847 HydrophobicContact CG-CD1 4.38Å; T624-L847 HydrophobicContact CG2-CB 4.34Å; T624-L847 HydrophobicContact CG2-CD2 4.36Å; L631-L847 HydrophobicContact CD1-CD2 3.99Å; L631-L847 HydrophobicContact CD2-CD2 3.58Å; L631-L847 HydrophobicContact CG-CD2 4.44Å; E843-L847 WeakPolarHBondContact O-CG 3.25Å; E843-L847 PolarHBondContact O-N 2.91Å; E843-L847 VanDerWaalsContact O-N 3.16Å; P844-L847 PolarHBondContact O-N 3.2Å; E845-L847 PolarHBondContact O-N 3.27Å; L847-I850 PolarHBondContact O-N 2.99Å; L847-S851 WeakPolarHBondContact O-CB 3.45Å; L847-S851 PolarHBondContact O-N 3.07Å; L847-S851 PolarHBondContact O-OG 3.07Å
848	I	97.6	Very high	95.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-56.7	-57.7	179.8	-59.3	168.5	0	0	0	110.9	R616 A620 C814 A817 E845 S846 S851 F852	R616-I848 HydrophobicContact CB-CD1 3.82Å; R616-I848 HydrophobicContact CB-CG1 4.38Å; A620-I848 HydrophobicContact CB-CB 4.34Å; A620-I848 HydrophobicContact CB-CG1 3.81Å; C814-I848 VanDerWaalsContact O-CG2 3.23Å; C814-I848 WeakPolarHBondContact O-CG2 3.27Å; A817-I848 HydrophobicContact CB-CG2 4.4Å; E845-I848 HydrophobicContact CG-CD1 4.46Å; E845-I848 WeakPolarHBondContact O-CB 3.41Å; E845-I848 PolarHBondContact O-N 2.72Å; S846-I848 VanDerWaalsContact C-N 3.27Å; S846-I848 PolarHBondContact O-N 3.28Å; I848-S851 PolarHBondContact O-OG 3.28Å; I848-F852 WeakPolarHBondContact O-CD2 3.4Å; I848-F852 WeakPolarHBondContact O-CE2 3.39Å
849	P	97.4	Very high	95.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-69.2	-35.2	174.6	26.5	-36.1	0	0	0	113.6	L747 C749 A817 V833 L835 E845 S846 S851 F852	L747-P849 HydrophobicContact CD2-CB 3.98Å; C749-P849 HydrophobicContact CB-CB 3.99Å; C749-P849 HydrophobicContact CB-CG 4.01Å; A817-P849 HydrophobicContact CB-CB 4.5Å; V833-P849 HydrophobicContact CG1-CB 4.04Å; V833-P849 WeakPolarHBondContact CG2-O 3.34Å; L835-P849 HydrophobicContact CD1-CB 4.12Å; L835-P849 HydrophobicContact CD1-CG 3.62Å; L835-P849 HydrophobicContact CD2-CG 4.14Å; L835-P849 HydrophobicContact CG-CG 4.12Å; E845-P849 WeakPolarHBondContact O-CD 3.2Å; S846-P849 VanDerWaalsContact O-CD 3.28Å; S846-P849 WeakPolarHBondContact O-CD 3.41Å; S846-P849 WeakPolarHBondContact O-CG 3.32Å; P849-S851 VanDerWaalsContact C-N 3.26Å; P849-S851 PolarHBondContact O-N 3.27Å; P849-F852 WeakPolarHBondContact O-CD2 3.47Å; P849-F852 PolarHBondContact O-N 2.87Å
850	I	97.3	Very high	95.5	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-63.7	-32	-179.3	-69	168.8	0	0	0	111.7	F627 V833 S846 L847 F852 V853 I860 L862 L887	F627-I850 HydrophobicContact CD2-CG2 3.88Å; F627-I850 HydrophobicContact CE2-CG2 3.68Å; F627-I850 WeakPolarHBondContact CE2-O 3.37Å; V833-I850 HydrophobicContact CG1-CG1 4.32Å; S846-I850 WeakPolarHBondContact O-CD1 3.19Å; S846-I850 VanDerWaalsContact O-CG1 3.3Å; S846-I850 WeakPolarHBondContact O-CG1 3.19Å; S846-I850 PolarHBondContact O-N 3.17Å; L847-I850 PolarHBondContact O-N 2.99Å; I850-F852 PolarHBondContact O-N 3.23Å; I850-V853 HydrophobicContact CG2-CG2 4.46Å; I850-V853 WeakPolarHBondContact O-CG2 3.39Å; I850-V853 PolarHBondContact O-N 2.73Å; I850-V853 VanDerWaalsContact O-N 3.15Å; I850-I860 HydrophobicContact CD1-CG2 4.27Å; I850-I860 HydrophobicContact CG1-CG2 4.19Å; I850-I860 HydrophobicContact CG2-CD1 3.8Å; I850-L862 HydrophobicContact CD1-CD2 4.47Å; I850-L887 HydrophobicContact CD1-CD2 3.58Å
851	S	95.8	Very high	95.7	Very high	6 Å²	6	21.5 Å²	21.5	4%	0.042	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-7	178	67.4	0	0	0	0	115.3	H821 L847 I848 P849	H821-S851 PolarHBondContact CE1-OG 3.26Å; H821-S851 VanDerWaalsContact CE1-OG 3.27Å; H821-S851 PolarHBondContact NE2-OG 3.19Å; L847-S851 WeakPolarHBondContact O-CB 3.45Å; L847-S851 PolarHBondContact O-N 3.07Å; L847-S851 PolarHBondContact O-OG 3.07Å; I848-S851 PolarHBondContact O-OG 3.28Å; P849-S851 VanDerWaalsContact C-N 3.26Å; P849-S851 PolarHBondContact O-N 3.27Å
852	F	95.8	Very high	95.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-8.8	177.2	-62.2	-74	0	0	0	115.1	L747 A817 F820 H821 I825 G828 F830 I848 P849 I850	L747-F852 HydrophobicContact CD2-CD2 3.96Å; A817-F852 WeakPolarHBondContact O-CE2 3.49Å; A817-F852 WeakPolarHBondContact O-CZ 3.26Å; F820-F852 HydrophobicContact CB-CD1 4.44Å; F820-F852 HydrophobicContact CB-CE1 3.55Å; F820-F852 HydrophobicContact CB-CE2 4.24Å; F820-F852 HydrophobicContact CB-CZ 3.44Å; F820-F852 VanDerWaalsContact CB-CZ 3.44Å; H821-F852 AromaticContact CD2-CZ 3.45Å; H821-F852 VanDerWaalsContact CD2-CZ 3.45Å; H821-F852 WeakPolarHBondContact CD2-CZ 3.3Å; H821-F852 AromaticContact CE1-CD1 3.73Å; H821-F852 AromaticContact CE1-CE1 3.12Å; H821-F852 WeakPolarHBondContact CE1-CE1 3.34Å; H821-F852 AromaticContact CE1-CE2 3.96Å; H821-F852 AromaticContact CE1-CZ 3.24Å; H821-F852 WeakPolarHBondContact CE1-CZ 3.15Å; H821-F852 AromaticContact CG-CE1 3.82Å; H821-F852 AromaticContact CG-CZ 3.6Å; H821-F852 AromaticContact ND1-CE1 3.24Å; H821-F852 WeakPolarHBondContact ND1-CE1 3.16Å; H821-F852 AromaticContact ND1-CZ 3.5Å; H821-F852 AromaticContact NE2-CE1 3.65Å; H821-F852 AromaticContact NE2-CE2 3.66Å; H821-F852 AromaticContact NE2-CZ 3.21Å; H821-F852 WeakPolarHBondContact NE2-CZ 3.49Å; I825-F852 HydrophobicContact CB-CD1 4.46Å; I825-F852 HydrophobicContact CB-CE1 4.29Å; I825-F852 HydrophobicContact CG2-CD1 3.92Å; I825-F852 HydrophobicContact CG2-CE1 4.25Å; G828-F852 PolarHBondContact N-O 3.07Å; F830-F852 HydrophobicContact CB-CB 4.4Å; F830-F852 HydrophobicContact CD2-CB 3.72Å; F830-F852 HydrophobicContact CD2-CG 4.09Å; I848-F852 WeakPolarHBondContact O-CD2 3.4Å; I848-F852 WeakPolarHBondContact O-CE2 3.39Å; P849-F852 WeakPolarHBondContact O-CD2 3.47Å; P849-F852 PolarHBondContact O-N 2.87Å; I850-F852 PolarHBondContact O-N 3.23Å
853	V	94.6	Very high	95.9	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	10%	0.095	C	C	.	.	S	Bend	trans	-89.4	154	175.7	-67.2	0	0	0	0	111.1	F627 E827 F830 V833 I850 I860	F627-V853 HydrophobicContact CE2-CG2 4.42Å; F627-V853 WeakPolarHBondContact CZ-O 3.43Å; E827-V853 WeakPolarHBondContact CG-O 3.3Å; F830-V853 WeakPolarHBondContact O-CA 3.45Å; F830-V853 WeakPolarHBondContact O-CG1 3.49Å; V833-V853 HydrophobicContact CB-CG1 3.79Å; V833-V853 HydrophobicContact CG2-CG1 3.35Å; I850-V853 HydrophobicContact CG2-CG2 4.46Å; I850-V853 WeakPolarHBondContact O-CG2 3.39Å; I850-V853 PolarHBondContact O-N 2.73Å; I850-V853 VanDerWaalsContact O-N 3.15Å; V853-I860 HydrophobicContact CG2-CD1 3.88Å; V853-I860 HydrophobicContact CG2-CG1 3.74Å
854	S	94.3	Very high	95.8	Very high	22 Å²	22	20.4 Å²	20.4	15%	0.154	9%	0.094	C	C	.	.			trans	-70.4	138.8	174.5	-178.9	0	0	0	0	111.5	E827 R856 D857 G858	E827-S854 WeakPolarHBondContact OE1-CA 3.38Å; S854-R856 PolarHBondContact O-N 2.87Å; S854-R856 VanDerWaalsContact O-N 3.1Å; S854-R856 PolarHBondContact OG-N 3.11Å; S854-D857 WeakPolarHBondContact CB-OD1 3.23Å; S854-D857 PolarHBondContact OG-OD1 2.86Å; S854-G858 WeakPolarHBondContact O-CA 3.29Å; S854-G858 PolarHBondContact O-N 3.03Å; S854-G858 VanDerWaalsContact O-N 3.08Å
855	E	90.6	Very high	95.7	Very high	70 Å²	70	20.6 Å²	20.6	33%	0.327	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-11.8	171.4	69.9	169.2	-177.5	0	0	114.5	H626 F627 I630 P713 E827	H626-E855 IonicContact CD2-OE2 3.03Å; H626-E855 PolarHBondContact CD2-OE2 3.02Å; H626-E855 VanDerWaalsContact CD2-OE2 3.23Å; H626-E855 IonicContact CG-OE2 3.36Å; F627-E855 HydrophobicContact CD1-CB 4.04Å; F627-E855 HydrophobicContact CE1-CB 3.79Å; I630-E855 HydrophobicContact CD1-CB 4.42Å; P713-E855 VanDerWaalsContact CG-O 3.29Å; P713-E855 WeakPolarHBondContact CG-O 3.18Å; E827-E855 PolarHBondContact OE1-N 3.17Å
856	R	89.2	Confident	95.5	Very high	185 Å²	185	20 Å²	20	70%	0.698	9%	0.094	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-47.4	-173.1	-58.8	-170.2	179.9	-175.6	-1.8	113.2	S854	S854-R856 PolarHBondContact O-N 2.87Å; S854-R856 VanDerWaalsContact O-N 3.1Å; S854-R856 PolarHBondContact OG-N 3.11Å
857	D	88.8	Confident	95.4	Very high	103 Å²	103	21.5 Å²	21.5	55%	0.551	10%	0.104	S	C	*	.	T	Hydrogen-bonded Turn	trans	-132.6	6	-171.1	66.2	-16.1	0	0	0	113.5	R712 S854	R712-D857 WeakPolarHBondContact CD-O 3.47Å; S854-D857 WeakPolarHBondContact CB-OD1 3.23Å; S854-D857 PolarHBondContact OG-OD1 2.86Å
858	G	93.8	Very high	95.2	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.01	11%	0.106	C	C	.	.			trans	-68	139.6	175.2	0	0	0	0	0	112.4	P713 S854	P713-G858 VanDerWaalsContact CA-O 3.28Å; P713-G858 WeakPolarHBondContact CA-O 3.47Å; S854-G858 WeakPolarHBondContact O-CA 3.29Å; S854-G858 PolarHBondContact O-N 3.03Å; S854-G858 VanDerWaalsContact O-N 3.08Å
859	Q	96.3	Very high	94.8	Very high	9 Å²	9	22.4 Å²	22.4	4%	0.042	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	125.7	175.9	-172.2	167.5	25.5	0	0	111.6	V706 A709 T831 H832 V833 V861	V706-Q859 PolarHBondContact O-NE2 3.04Å; V706-Q859 PolarHBondContact O-OE1 3.08Å; A709-Q859 VanDerWaalsContact CB-NE2 3.26Å; T831-Q859 PolarHBondContact O-N 3.13Å; H832-Q859 CarbonylContact C-O 3.6Å; H832-Q859 WeakPolarHBondContact CA-O 3.41Å; H832-Q859 PolarHBondContact CD2-OE1 3.24Å; H832-Q859 PolarHBondContact NE2-OE1 3.23Å; V833-Q859 PolarHBondContact N-O 2.9Å; Q859-V861 HydrophobicContact CG-CG2 4.39Å
860	I	98	Very high	94.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.1	178.5	-58.2	164.8	0	0	0	108.5	I630 P715 Y716 V833 I850 V853 L862	I630-I860 HydrophobicContact CG2-CD1 3.64Å; P715-I860 HydrophobicContact CB-CB 4.36Å; P715-I860 HydrophobicContact CB-CG2 4.04Å; P715-I860 HydrophobicContact CG-CD1 4.47Å; P715-I860 HydrophobicContact CG-CG2 4.32Å; Y716-I860 PolarHBondContact N-O 2.93Å; V833-I860 CarbonylContact O-C 3.5Å; V833-I860 WeakPolarHBondContact O-CA 3.06Å; I850-I860 HydrophobicContact CD1-CG2 4.27Å; I850-I860 HydrophobicContact CG1-CG2 4.19Å; I850-I860 HydrophobicContact CG2-CD1 3.8Å; V853-I860 HydrophobicContact CG2-CD1 3.88Å; V853-I860 HydrophobicContact CG2-CG1 3.74Å; I860-L862 HydrophobicContact CG2-CD2 3.97Å; I860-L862 HydrophobicContact CG2-CG 4.28Å
861	V	98.4	Very high	94.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	117.8	175.7	179	0	0	0	0	109.4	V706 Y716 L730 V833 F834 L835 Q859	V706-V861 HydrophobicContact CG1-CG2 3.87Å; V706-V861 HydrophobicContact CG2-CG2 4.05Å; Y716-V861 HydrophobicContact CD1-CG1 4.3Å; Y716-V861 CarbonylContact O-C 3.59Å; Y716-V861 VanDerWaalsContact O-CA 3.32Å; Y716-V861 WeakPolarHBondContact O-CA 3.2Å; L730-V861 HydrophobicContact CD1-CG1 4.38Å; V833-V861 PolarHBondContact O-N 3.04Å; F834-V861 CarbonylContact C-O 3.57Å; F834-V861 WeakPolarHBondContact CA-O 3.46Å; F834-V861 HydrophobicContact CD1-CB 3.48Å; F834-V861 VanDerWaalsContact CD1-CB 3.48Å; F834-V861 HydrophobicContact CD1-CG1 3.81Å; F834-V861 HydrophobicContact CD1-CG2 3.84Å; F834-V861 HydrophobicContact CE1-CB 3.78Å; F834-V861 HydrophobicContact CE1-CG1 4.14Å; F834-V861 HydrophobicContact CE1-CG2 3.57Å; F834-V861 HydrophobicContact CG-CB 4.34Å; F834-V861 HydrophobicContact CZ-CG2 4.38Å; L835-V861 PolarHBondContact N-O 3.18Å; Q859-V861 HydrophobicContact CG-CG2 4.39Å
862	L	98.4	Very high	93.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	105.9	176.6	-54.6	-177.9	0	0	0	108.9	P715 Y716 V717 L718 L835 A838 I850 I860 L887 L888 L891	P715-L862 HydrophobicContact CB-CD1 3.94Å; P715-L862 HydrophobicContact CB-CG 4.17Å; Y716-L862 PolarHBondContact O-N 3.42Å; V717-L862 CarbonylContact C-O 3.57Å; V717-L862 WeakPolarHBondContact CA-O 3.43Å; V717-L862 HydrophobicContact CG2-CB 4.49Å; L718-L862 PolarHBondContact N-O 2.84Å; L835-L862 HydrophobicContact CB-CD2 3.99Å; L835-L862 HydrophobicContact CD2-CD2 4.1Å; L835-L862 HydrophobicContact CG-CD2 4.47Å; A838-L862 HydrophobicContact CB-CB 4.1Å; A838-L862 HydrophobicContact CB-CD2 4.4Å; I850-L862 HydrophobicContact CD1-CD2 4.47Å; I860-L862 HydrophobicContact CG2-CD2 3.97Å; I860-L862 HydrophobicContact CG2-CG 4.28Å; L862-L887 HydrophobicContact CD1-CD2 4.23Å; L862-L887 HydrophobicContact CD1-CG 4.23Å; L862-L888 HydrophobicContact CB-CD1 4.28Å; L862-L891 HydrophobicContact CD1-CD1 3.69Å
863	A	97.8	Very high	93.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	129	173.9	0	0	0	0	0	110	L718 L730 L835 D836 E837 A838	L718-A863 HydrophobicContact CB-CB 4.05Å; L718-A863 HydrophobicContact CD2-CB 4.13Å; L718-A863 HydrophobicContact CG-CB 4.47Å; L718-A863 WeakPolarHBondContact O-CA 3.47Å; L730-A863 HydrophobicContact CD1-CB 4.29Å; L835-A863 PolarHBondContact O-N 2.9Å; D836-A863 CarbonylContact C-O 3.57Å; E837-A863 PolarHBondContact N-O 3.18Å; A838-A863 PolarHBondContact N-O 2.87Å
864	G	96.3	Very high	93.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.4	-168.8	-178.4	0	0	0	0	0	113.3	L718 G720	L718-G864 PolarHBondContact O-N 3.5Å; L718-G864 VanDerWaalsContact O-N 3.14Å; G720-G864 PolarHBondContact N-O 3.36Å
865	D	96	Very high	93.3	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	17%	0.167	C	C	.	.			trans	-135.5	107.3	178.3	-175.3	-10.2	0	0	0	109.6	F719 P721 P722 C867 Q868 Y931	F719-D865 WeakPolarHBondContact CE2-OD1 3.41Å; P721-D865 WeakPolarHBondContact CA-OD2 3.28Å; P722-D865 WeakPolarHBondContact CD-OD2 3.37Å; D865-C867 PolarHBondContact O-N 3.49Å; D865-C867 WeakPolarHBondContact OD1-CA 3.28Å; D865-C867 WeakPolarHBondContact OD1-CB 3.36Å; D865-C867 PolarHBondContact OD1-N 3.01Å; D865-Q868 HydrophobicContact CB-CB 4.11Å; D865-Q868 HydrophobicContact CB-CG 4.27Å; D865-Q868 PolarHBondContact O-N 3.23Å; D865-Q868 WeakPolarHBondContact OD2-CG 3.14Å; D865-Q868 PolarHBondContact OD2-NE2 2.81Å; D865-Y931 PolarHBondContact OD2-OH 3.42Å
866	P	94.5	Very high	93.4	Very high	17 Å²	17	36.9 Å²	36.9	11%	0.11	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-17.8	178.8	29.1	-36.4	0	0	0	113.1	F719 M892 K1075	F719-P866 HydrophobicContact CD2-CG 4.34Å; F719-P866 HydrophobicContact CE1-CG 4.37Å; F719-P866 HydrophobicContact CE2-CG 4.09Å; F719-P866 HydrophobicContact CZ-CG 4.08Å; P866-M892 HydrophobicContact CB-CG 4.37Å; P866-M892 HydrophobicContact CG-CE 4.47Å; P866-M892 HydrophobicContact CG-CG 4.18Å; P866-K1075 VanDerWaalsContact O-CE 3.23Å; P866-K1075 WeakPolarHBondContact O-CE 3.46Å; P866-K1075 PolarHBondContact O-NZ 3.26Å; P866-K1075 VanDerWaalsContact O-NZ 3.16Å
867	C	94.6	Very high	93.6	Very high	32 Å²	32	31.4 Å²	31.4	22%	0.216	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-2.6	179.3	-56.4	0	0	0	0	113.2	D865 F930 Y931 N1078	D865-C867 PolarHBondContact O-N 3.49Å; D865-C867 WeakPolarHBondContact OD1-CA 3.28Å; D865-C867 WeakPolarHBondContact OD1-CB 3.36Å; D865-C867 PolarHBondContact OD1-N 3.01Å; C867-F930 HydrophobicContact CB-CB 4.26Å; C867-Y931 HydrophobicContact CB-CE1 3.82Å; C867-N1078 PolarHBondContact O-ND2 3.46Å
868	Q	93.4	Very high	93.9	Very high	7 Å²	7	26.5 Å²	26.5	3%	0.033	14%	0.144	C	C	.	.	S	Bend	trans	-100.7	177.4	171.7	-81.3	-177.5	63.3	0	0	111.4	P722 D865 G870 K1075 V1079	P722-Q868 VanDerWaalsContact CG-NE2 3.33Å; D865-Q868 HydrophobicContact CB-CB 4.11Å; D865-Q868 HydrophobicContact CB-CG 4.27Å; D865-Q868 PolarHBondContact O-N 3.23Å; D865-Q868 WeakPolarHBondContact OD2-CG 3.14Å; D865-Q868 PolarHBondContact OD2-NE2 2.81Å; Q868-G870 PolarHBondContact O-N 2.94Å; Q868-K1075 VanDerWaalsContact O-CD 3.28Å; Q868-K1075 WeakPolarHBondContact O-CD 3.45Å; Q868-V1079 HydrophobicContact CB-CG2 3.8Å; Q868-V1079 HydrophobicContact CG-CG2 3.69Å
869	L	90.6	Very high	93.8	Very high	13 Å²	13	30.3 Å²	30.3	7%	0.068	16%	0.164	C	C	.	.			trans	-48.4	127.9	-177.2	-91.1	175.8	0	0	0	112.7	V1037 E1038 Q1041 R1076 V1079	L869-V1037 HydrophobicContact CD1-CB 4.41Å; L869-V1037 HydrophobicContact CD1-CG1 3.82Å; L869-E1038 HydrophobicContact CD1-CG 4.1Å; L869-Q1041 PolarHBondContact O-NE2 3.1Å; L869-Q1041 VanDerWaalsContact O-NE2 3.17Å; L869-R1076 HydrophobicContact CD2-CB 4.5Å; L869-R1076 HydrophobicContact CD2-CG 3.41Å; L869-R1076 VanDerWaalsContact CD2-CG 3.41Å; L869-R1076 HydrophobicContact CG-CG 4.18Å; L869-V1079 HydrophobicContact CB-CG2 4.06Å; L869-V1079 HydrophobicContact CD1-CB 4.46Å; L869-V1079 HydrophobicContact CD1-CG1 4.44Å; L869-V1079 HydrophobicContact CD1-CG2 4.2Å; L869-V1079 HydrophobicContact CG-CG2 3.92Å
870	G	91.8	Very high	93.6	Very high	15 Å²	15	33.8 Å²	33.8	16%	0.155	19%	0.194	C	C	.	.			trans	-81.3	-169.3	173	0	0	0	0	0	113	G839 Q868	G839-G870 VanDerWaalsContact O-CA 3.31Å; G839-G870 WeakPolarHBondContact O-CA 3.25Å; Q868-G870 PolarHBondContact O-N 2.94Å
871	P	92.2	Very high	93.5	Very high	14 Å²	14	35.8 Å²	35.8	9%	0.091	20%	0.203	C	C	.	.			trans	-63.1	144.1	176.4	-17.5	32.3	0	0	0	112.2	G839 Q840 A841 T842 V873 G884	G839-P871 WeakPolarHBondContact O-CD 3.38Å; Q840-P871 VanDerWaalsContact O-CA 3.3Å; Q840-P871 WeakPolarHBondContact O-CA 3.43Å; Q840-P871 WeakPolarHBondContact O-CB 3.35Å; A841-P871 VanDerWaalsContact O-CG 3.3Å; A841-P871 WeakPolarHBondContact O-CG 3.45Å; T842-P871 HydrophobicContact CG2-CB 3.5Å; T842-P871 VanDerWaalsContact CG2-CB 3.5Å; T842-P871 HydrophobicContact CG2-CG 4.09Å; P871-V873 PolarHBondContact O-N 2.85Å; P871-G884 WeakPolarHBondContact CD-O 3.37Å
872	I	87.6	Confident	93.2	Very high	122 Å²	122	37.2 Å²	37.2	63%	0.626	22%	0.217	S	C	*	.			trans	-83.1	108.2	175	-57.5	172.3	0	0	0	108.2	E1038	I872-E1038 HydrophobicContact CD1-CB 4.09Å; I872-E1038 HydrophobicContact CD1-CG 3.81Å; I872-E1038 HydrophobicContact CG1-CG 4.31Å
873	V	90.6	Very high	93.1	Very high	23 Å²	23	37.3 Å²	37.3	14%	0.139	22%	0.218	C	C	.	.			trans	-112.8	121.9	175.9	179.8	0	0	0	0	108.5	E515 T842 P871 A878 N879 L883	E515-V873 WeakPolarHBondContact OE2-CG1 3.45Å; T842-V873 HydrophobicContact CG2-CG2 4.46Å; P871-V873 PolarHBondContact O-N 2.85Å; V873-A878 HydrophobicContact CG1-CB 3.97Å; V873-N879 HydrophobicContact CB-CB 4.26Å; V873-N879 HydrophobicContact CG1-CB 3.94Å; V873-L883 HydrophobicContact CG1-CB 4.26Å; V873-L883 HydrophobicContact CG1-CD2 4.03Å; V873-L883 HydrophobicContact CG1-CG 4.4Å; V873-L883 HydrophobicContact CG2-CB 4.13Å; V873-L883 HydrophobicContact CG2-CD2 4.24Å; V873-L883 HydrophobicContact CG2-CG 3.95Å
874	K	89.1	Confident	93	Very high	90 Å²	90	38.2 Å²	38.2	39%	0.391	23%	0.227	S	C	.	.			trans	-87.3	-32.2	-177.2	-64.5	-166.9	178.4	-168.8	0	112.8	E515 N518 E522 N876	E515-K874 WeakPolarHBondContact OE1-CB 3.36Å; E515-K874 PolarHBondContact OE1-N 2.87Å; E515-K874 PolarHBondContact OE2-N 2.82Å; N518-K874 WeakPolarHBondContact ND2-CB 3.36Å; E522-K874 IonicContact OE1-NZ 3.14Å; E522-K874 PolarHBondContact OE1-NZ 2.75Å; E522-K874 WeakPolarHBondContact OE2-CD 3.44Å; E522-K874 IonicContact OE2-NZ 2.68Å; E522-K874 PolarHBondContact OE2-NZ 2.73Å; K874-N876 PolarHBondContact O-N 2.77Å
875	S	92.4	Very high	92.9	Very high	5 Å²	5	41.8 Å²	41.8	4%	0.035	25%	0.245	C	C	.	.			trans	-70.9	114.5	178.1	179.6	0	0	0	0	110.2	L514 E515 L877 A878 N879	L514-S875 PolarHBondContact O-OG 3.31Å; E515-S875 WeakPolarHBondContact OE2-CB 3.46Å; E515-S875 PolarHBondContact OE2-N 2.92Å; S875-L877 PolarHBondContact O-N 2.8Å; S875-A878 PolarHBondContact O-N 3.17Å; S875-A878 PolarHBondContact OG-N 3.25Å; S875-N879 WeakPolarHBondContact O-CB 3.31Å; S875-N879 PolarHBondContact O-N 3.17Å
876	N	90.9	Very high	93	Very high	135 Å²	135	41.7 Å²	41.7	72%	0.722	24%	0.244	S	C	*	.	H	α-helix	trans	-56.9	-38.5	175.1	-69.3	-25	0	0	0	111.6	K874 A880	K874-N876 PolarHBondContact O-N 2.77Å; N876-A880 VanDerWaalsContact O-CB 3.24Å; N876-A880 WeakPolarHBondContact O-CB 3.49Å; N876-A880 PolarHBondContact O-N 2.95Å
877	L	93.3	Very high	93.2	Very high	69 Å²	69	40.9 Å²	40.9	36%	0.361	24%	0.239	S	C	.	.	H	α-helix	trans	-65.1	-50.3	176.1	-69.6	166.8	0	0	0	111.3	V488 L514 S875 N879 A880 F881	V488-L877 HydrophobicContact CG2-CD1 3.88Å; V488-L877 HydrophobicContact CG2-CD2 4.2Å; L514-L877 HydrophobicContact CD1-CB 4.21Å; L514-L877 HydrophobicContact CD2-CD1 4.38Å; S875-L877 PolarHBondContact O-N 2.8Å; L877-N879 VanDerWaalsContact C-N 3.29Å; L877-N879 PolarHBondContact O-N 3.31Å; L877-A880 PolarHBondContact O-N 2.9Å; L877-F881 WeakPolarHBondContact O-CD2 3.33Å; L877-F881 PolarHBondContact O-N 3.42Å
878	A	95.9	Very high	93.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.4	-38.1	180	0	0	0	0	0	111.8	L511 L514 V873 S875 G882 L883	L511-A878 HydrophobicContact CD2-CB 4.45Å; L514-A878 HydrophobicContact CB-CB 4.03Å; V873-A878 HydrophobicContact CG1-CB 3.97Å; S875-A878 PolarHBondContact O-N 3.17Å; S875-A878 PolarHBondContact OG-N 3.25Å; A878-G882 PolarHBondContact O-N 2.9Å; A878-L883 HydrophobicContact CB-CB 4.1Å; A878-L883 HydrophobicContact CB-CD2 3.81Å; A878-L883 VanDerWaalsContact O-CB 3.26Å; A878-L883 WeakPolarHBondContact O-CB 2.98Å; A878-L883 PolarHBondContact O-N 2.8Å
879	N	92.6	Very high	93.5	Very high	82 Å²	82	41 Å²	41	44%	0.439	24%	0.237	S	C	.	.	H	α-helix	trans	-65.5	-46.1	176.4	-169.6	53.2	0	0	0	111.7	V873 S875 L877 F881 G882	V873-N879 HydrophobicContact CB-CB 4.26Å; V873-N879 HydrophobicContact CG1-CB 3.94Å; S875-N879 WeakPolarHBondContact O-CB 3.31Å; S875-N879 PolarHBondContact O-N 3.17Å; L877-N879 VanDerWaalsContact C-N 3.29Å; L877-N879 PolarHBondContact O-N 3.31Å; N879-F881 PolarHBondContact O-N 2.74Å; N879-G882 PolarHBondContact O-N 2.9Å
880	A	91.9	Very high	93.8	Very high	81 Å²	81	41.8 Å²	41.8	67%	0.669	24%	0.239	S	C	*	.	H	α-helix	trans	-59	-34.6	179.1	0	0	0	0	0	113	N876 L877	N876-A880 VanDerWaalsContact O-CB 3.24Å; N876-A880 WeakPolarHBondContact O-CB 3.49Å; N876-A880 PolarHBondContact O-N 2.95Å; L877-A880 PolarHBondContact O-N 2.9Å
881	F	94.8	Very high	94	Very high	43 Å²	43	41 Å²	41	19%	0.189	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	6.1	178.3	-68.2	-63.1	0	0	0	114.5	L489 L495 R507 L511 L877 N879	L489-F881 HydrophobicContact CD1-CE1 4.46Å; L489-F881 HydrophobicContact CD1-CZ 4.37Å; L489-F881 HydrophobicContact CD2-CE1 3.69Å; L489-F881 HydrophobicContact CD2-CZ 3.68Å; L489-F881 HydrophobicContact CG-CE1 4.3Å; L489-F881 HydrophobicContact CG-CZ 3.95Å; L495-F881 HydrophobicContact CB-CD1 3.87Å; L495-F881 HydrophobicContact CB-CD2 4.36Å; L495-F881 HydrophobicContact CB-CE1 4.12Å; L495-F881 HydrophobicContact CB-CG 4.01Å; L495-F881 HydrophobicContact CB-CZ 4.47Å; L495-F881 HydrophobicContact CD1-CD2 3.94Å; L495-F881 HydrophobicContact CD1-CE2 4.12Å; L495-F881 HydrophobicContact CD1-CG 4.34Å; L495-F881 HydrophobicContact CD2-CB 4.29Å; L495-F881 HydrophobicContact CD2-CG 4.49Å; L495-F881 WeakPolarHBondContact O-CD1 3.39Å; R507-F881 PolarHBondContact NE-O 2.82Å; R507-F881 PolarHBondContact NH2-O 3.23Å; L511-F881 HydrophobicContact CD2-CB 3.51Å; L877-F881 WeakPolarHBondContact O-CD2 3.33Å; L877-F881 PolarHBondContact O-N 3.42Å; N879-F881 PolarHBondContact O-N 2.74Å
882	G	93.4	Very high	94.2	Very high	29 Å²	29	41.5 Å²	41.5	30%	0.299	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	107.5	10.9	164.8	0	0	0	0	0	116.9	A878 N879 G884 M885	A878-G882 PolarHBondContact O-N 2.9Å; N879-G882 PolarHBondContact O-N 2.9Å; G882-G884 PolarHBondContact O-N 3.3Å; G882-M885 WeakPolarHBondContact O-CB 3.14Å; G882-M885 PolarHBondContact O-N 3.41Å; G882-M885 VanDerWaalsContact O-N 3.14Å
883	L	96.5	Very high	94.5	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-26	176.2	-169.7	61	0	0	0	112.6	F508 L511 E515 T842 P844 V873 A878 M885	F508-L883 HydrophobicContact CD1-CD1 4.19Å; L511-L883 HydrophobicContact CB-CB 4.12Å; L511-L883 HydrophobicContact CB-CD1 4.01Å; L511-L883 HydrophobicContact CB-CD2 4.21Å; L511-L883 HydrophobicContact CB-CG 4.33Å; L511-L883 HydrophobicContact CD1-CB 4.13Å; L511-L883 HydrophobicContact CD1-CD1 4.46Å; E515-L883 HydrophobicContact CB-CD2 4.06Å; T842-L883 HydrophobicContact CG2-CD1 4.4Å; T842-L883 HydrophobicContact CG2-CG 4.34Å; P844-L883 HydrophobicContact CG-CD1 4.3Å; V873-L883 HydrophobicContact CG1-CB 4.26Å; V873-L883 HydrophobicContact CG1-CD2 4.03Å; V873-L883 HydrophobicContact CG1-CG 4.4Å; V873-L883 HydrophobicContact CG2-CB 4.13Å; V873-L883 HydrophobicContact CG2-CD2 4.24Å; V873-L883 HydrophobicContact CG2-CG 3.95Å; A878-L883 HydrophobicContact CB-CB 4.1Å; A878-L883 HydrophobicContact CB-CD2 3.81Å; A878-L883 VanDerWaalsContact O-CB 3.26Å; A878-L883 WeakPolarHBondContact O-CB 2.98Å; A878-L883 PolarHBondContact O-N 2.8Å; L883-M885 PolarHBondContact O-N 3.3Å
884	G	94.3	Very high	94.7	Very high	19 Å²	19	40.6 Å²	40.6	20%	0.196	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	0.6	176.2	0	0	0	0	0	114.6	P871 G882	P871-G884 WeakPolarHBondContact CD-O 3.37Å; G882-G884 PolarHBondContact O-N 3.3Å
885	M	95.2	Very high	94.9	Very high	76 Å²	76	40.9 Å²	40.9	37%	0.374	24%	0.243	S	C	.	.	S	Bend	trans	-94.9	125.7	172.1	-171.4	175.9	-70.3	0	0	109.6	G882 L883 E889 R890	G882-M885 WeakPolarHBondContact O-CB 3.14Å; G882-M885 PolarHBondContact O-N 3.41Å; G882-M885 VanDerWaalsContact O-N 3.14Å; L883-M885 PolarHBondContact O-N 3.3Å; M885-E889 HydrophobicContact CG-CB 4.15Å; M885-E889 HydrophobicContact CG-CG 3.96Å; M885-R890 HydrophobicContact CG-CB 4.31Å; M885-R890 HydrophobicContact SD-CB 4Å; M885-R890 HydrophobicContact SD-CG 4.34Å
886	S	97.6	Very high	95.1	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.007	25%	0.251	C	S	.	.			trans	-78.4	160.1	176.9	66.2	0	0	0	0	111.9	G839 A841 L888 E889 R890	G839-S886 WeakPolarHBondContact O-CB 3.35Å; A841-S886 VanDerWaalsContact O-CB 3.29Å; A841-S886 WeakPolarHBondContact O-CB 3.36Å; S886-L888 PolarHBondContact O-N 3.07Å; S886-E889 PolarHBondContact O-N 2.81Å; S886-E889 WeakPolarHBondContact OG-CB 3.39Å; S886-E889 PolarHBondContact OG-N 3.36Å; S886-E889 VanDerWaalsContact OG-N 3.1Å; S886-R890 PolarHBondContact O-N 3Å
887	L	97.7	Very high	95.3	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-57.7	-40.7	172.3	176.7	60.6	0	0	0	111.4	L631 E843 I850 L862 R890 L891	L631-L887 HydrophobicContact CD2-CD1 4.19Å; L631-L887 HydrophobicContact CD2-CD2 4.35Å; E843-L887 HydrophobicContact CB-CB 4.24Å; E843-L887 HydrophobicContact CG-CB 4.08Å; E843-L887 HydrophobicContact CG-CD1 4.3Å; I850-L887 HydrophobicContact CD1-CD2 3.58Å; L862-L887 HydrophobicContact CD1-CD2 4.23Å; L862-L887 HydrophobicContact CD1-CG 4.23Å; L887-R890 PolarHBondContact O-N 3.34Å; L887-L891 HydrophobicContact CD1-CD1 4.07Å; L887-L891 HydrophobicContact CD1-CG 4.09Å; L887-L891 HydrophobicContact CG-CD1 4.04Å; L887-L891 HydrophobicContact CG-CG 4.46Å; L887-L891 WeakPolarHBondContact O-CB 3.44Å; L887-L891 WeakPolarHBondContact O-CG 3.22Å; L887-L891 PolarHBondContact O-N 3.33Å
888	L	97.6	Very high	95.4	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-57.6	-51.2	176.5	172.8	65.7	0	0	0	110.8	V717 A838 L862 S886 L891 M892	V717-L888 HydrophobicContact CB-CD1 4.31Å; V717-L888 HydrophobicContact CG1-CD1 3.44Å; V717-L888 VanDerWaalsContact CG1-CD1 3.44Å; V717-L888 HydrophobicContact CG2-CD1 3.9Å; A838-L888 HydrophobicContact CB-CB 4.25Å; A838-L888 HydrophobicContact CB-CD2 4.36Å; L862-L888 HydrophobicContact CB-CD1 4.28Å; S886-L888 PolarHBondContact O-N 3.07Å; L888-L891 PolarHBondContact O-N 2.97Å; L888-M892 HydrophobicContact CD1-CG 4.28Å; L888-M892 WeakPolarHBondContact O-CG 3.3Å; L888-M892 PolarHBondContact O-N 3.49Å
889	E	96.7	Very high	95.2	Very high	41 Å²	41	39 Å²	39	19%	0.192	23%	0.231	C	C	.	.	H	α-helix	trans	-63	-44.6	-179.4	179	171.1	-162.2	0	0	111.9	M885 S886 L891 M892 T893 K1075	M885-E889 HydrophobicContact CG-CB 4.15Å; M885-E889 HydrophobicContact CG-CG 3.96Å; S886-E889 PolarHBondContact O-N 2.81Å; S886-E889 WeakPolarHBondContact OG-CB 3.39Å; S886-E889 PolarHBondContact OG-N 3.36Å; S886-E889 VanDerWaalsContact OG-N 3.1Å; E889-L891 VanDerWaalsContact C-N 3.34Å; E889-L891 PolarHBondContact O-N 2.75Å; E889-M892 PolarHBondContact O-N 3.46Å; E889-T893 PolarHBondContact O-N 3.17Å; E889-K1075 IonicContact OE1-NZ 2.9Å; E889-K1075 PolarHBondContact OE1-NZ 3.1Å; E889-K1075 IonicContact OE2-NZ 3Å; E889-K1075 PolarHBondContact OE2-NZ 3.04Å
890	R	96.8	Very high	95.1	Very high	28 Å²	28	39.4 Å²	39.4	11%	0.106	23%	0.23	C	C	.	.	H	α-helix	trans	-63.4	-38.5	177.4	-171.9	179.9	60.6	71.7	-6.7	112.4	L631 E843 M885 S886 L887 M892 T893	L631-R890 PolarHBondContact O-NH1 3.38Å; L631-R890 PolarHBondContact O-NH2 2.77Å; E843-R890 IonicContact OE1-CZ 3.27Å; E843-R890 IonicContact OE1-NE 2.69Å; E843-R890 PolarHBondContact OE1-NE 2.87Å; E843-R890 IonicContact OE1-NH2 3.09Å; E843-R890 PolarHBondContact OE1-NH2 3.34Å; E843-R890 IonicContact OE2-CZ 3.87Å; E843-R890 IonicContact OE2-NE 3.09Å; E843-R890 PolarHBondContact OE2-NE 2.93Å; E843-R890 IonicContact OE2-NH2 2.62Å; M885-R890 HydrophobicContact CG-CB 4.31Å; M885-R890 HydrophobicContact SD-CB 4Å; M885-R890 HydrophobicContact SD-CG 4.34Å; S886-R890 PolarHBondContact O-N 3Å; L887-R890 PolarHBondContact O-N 3.34Å; R890-M892 VanDerWaalsContact C-N 3.35Å; R890-T893 PolarHBondContact O-N 3.5Å; R890-T893 PolarHBondContact O-OG1 2.88Å
891	L	96.8	Very high	94.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.9	-40.2	174.7	-74.9	172	0	0	0	111.1	P633 P715 L862 L887 L888 E889 T893 N894 Y897	P633-L891 HydrophobicContact CG-CD2 3.91Å; P715-L891 HydrophobicContact CB-CD1 3.89Å; P715-L891 HydrophobicContact CG-CD1 3.91Å; L862-L891 HydrophobicContact CD1-CD1 3.69Å; L887-L891 HydrophobicContact CD1-CD1 4.07Å; L887-L891 HydrophobicContact CD1-CG 4.09Å; L887-L891 HydrophobicContact CG-CD1 4.04Å; L887-L891 HydrophobicContact CG-CG 4.46Å; L887-L891 WeakPolarHBondContact O-CB 3.44Å; L887-L891 WeakPolarHBondContact O-CG 3.22Å; L887-L891 PolarHBondContact O-N 3.33Å; L888-L891 PolarHBondContact O-N 2.97Å; E889-L891 VanDerWaalsContact C-N 3.34Å; E889-L891 PolarHBondContact O-N 2.75Å; L891-T893 PolarHBondContact O-N 2.89Å; L891-T893 VanDerWaalsContact O-N 3.11Å; L891-N894 WeakPolarHBondContact O-CB 3.43Å; L891-N894 PolarHBondContact O-N 2.86Å; L891-Y897 HydrophobicContact CD2-CE2 4.28Å; L891-Y897 WeakPolarHBondContact O-CB 3.19Å
892	M	96.3	Very high	94.3	Very high	23 Å²	23	53.1 Å²	53.1	11%	0.113	28%	0.277	C	S	.	.	H	α-helix	trans	-65.8	-11.3	179.5	-69.8	-65.8	-63.9	0	0	114.4	V717 F719 P866 L888 E889 R890 T898 Y904 V909	V717-M892 HydrophobicContact CB-SD 4.43Å; V717-M892 HydrophobicContact CG1-SD 3.86Å; V717-M892 HydrophobicContact CG2-SD 4.49Å; F719-M892 HydrophobicContact CD1-CE 3.87Å; F719-M892 HydrophobicContact CE1-CE 4.34Å; P866-M892 HydrophobicContact CB-CG 4.37Å; P866-M892 HydrophobicContact CG-CE 4.47Å; P866-M892 HydrophobicContact CG-CG 4.18Å; L888-M892 HydrophobicContact CD1-CG 4.28Å; L888-M892 WeakPolarHBondContact O-CG 3.3Å; L888-M892 PolarHBondContact O-N 3.49Å; E889-M892 PolarHBondContact O-N 3.46Å; R890-M892 VanDerWaalsContact C-N 3.35Å; M892-T898 PolarHBondContact O-OG1 3.2Å; M892-Y904 HydrophobicContact CE-CE1 3.66Å; M892-V909 HydrophobicContact CE-CG1 4.33Å; M892-V909 HydrophobicContact SD-CG1 4.27Å; M892-V909 HydrophobicContact SD-CG2 4.24Å
893	T	94.6	Very high	94.2	Very high	94 Å²	94	52.6 Å²	52.6	58%	0.577	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-13	169.8	65.9	0	0	0	0	113.4	E889 R890 L891 T898	E889-T893 PolarHBondContact O-N 3.17Å; R890-T893 PolarHBondContact O-N 3.5Å; R890-T893 PolarHBondContact O-OG1 2.88Å; L891-T893 PolarHBondContact O-N 2.89Å; L891-T893 VanDerWaalsContact O-N 3.11Å; T893-T898 PolarHBondContact O-OG1 3.42Å
894	N	94.8	Very high	94.1	Very high	32 Å²	32	55 Å²	55	17%	0.171	28%	0.28	C	S	.	.	S	Bend	trans	-69	136.3	176.7	-177.9	-61.8	0	0	0	110.3	P633 L891 L896 Y897 T898	P633-N894 PolarHBondContact O-ND2 2.93Å; L891-N894 WeakPolarHBondContact O-CB 3.43Å; L891-N894 PolarHBondContact O-N 2.86Å; N894-L896 PolarHBondContact O-N 3.19Å; N894-L896 WeakPolarHBondContact OD1-CB 3.3Å; N894-L896 WeakPolarHBondContact OD1-CG 3.44Å; N894-L896 PolarHBondContact OD1-N 3.43Å; N894-Y897 HydrophobicContact CB-CD2 4.15Å; N894-Y897 PolarHBondContact O-N 3.45Å; N894-T898 PolarHBondContact O-N 3.09Å; N894-T898 PolarHBondContact O-OG1 3.36Å
895	P	93.8	Very high	94	Very high	96 Å²	96	56.7 Å²	56.7	62%	0.623	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-26.9	-178.9	-29.2	35.4	0	0	0	116.1	Q900	P895-Q900 PolarHBondContact O-NE2 3.15Å
896	L	94.7	Very high	93.8	Very high	40 Å²	40	55.7 Å²	55.7	21%	0.209	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-24.7	177.4	-61.6	179.6	0	0	0	113.8	P633 V636 N894 L908	P633-L896 HydrophobicContact CB-CD1 4.03Å; V636-L896 HydrophobicContact CG2-CD1 4.34Å; V636-L896 HydrophobicContact CG2-CD2 4.38Å; N894-L896 PolarHBondContact O-N 3.19Å; N894-L896 WeakPolarHBondContact OD1-CB 3.3Å; N894-L896 WeakPolarHBondContact OD1-CG 3.44Å; N894-L896 PolarHBondContact OD1-N 3.43Å; L896-L908 HydrophobicContact CB-CD1 3.91Å
897	Y	96.2	Very high	93.6	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-21.6	-176.6	-68.2	-101.8	0	0	0	112.4	P633 P715 V717 L891 N894 Y904 L908 V909	P633-Y897 HydrophobicContact CB-CE2 4.42Å; P633-Y897 HydrophobicContact CG-CE2 3.67Å; P715-Y897 VanDerWaalsContact O-CE1 3.23Å; P715-Y897 WeakPolarHBondContact O-CE1 3.24Å; P715-Y897 PolarHBondContact O-OH 3.41Å; V717-Y897 HydrophobicContact CG2-CD1 3.88Å; V717-Y897 HydrophobicContact CG2-CE1 3.87Å; L891-Y897 HydrophobicContact CD2-CE2 4.28Å; L891-Y897 WeakPolarHBondContact O-CB 3.19Å; N894-Y897 HydrophobicContact CB-CD2 4.15Å; N894-Y897 PolarHBondContact O-N 3.45Å; Y897-Y904 VanDerWaalsContact O-CD1 3.22Å; Y897-Y904 WeakPolarHBondContact O-CD1 3.17Å; Y897-Y904 WeakPolarHBondContact O-CE1 3.45Å; Y897-L908 HydrophobicContact CD1-CB 4.27Å; Y897-L908 HydrophobicContact CD2-CD1 4.44Å; Y897-L908 HydrophobicContact CE1-CB 4Å; Y897-L908 HydrophobicContact CE2-CD1 4.1Å; Y897-V909 HydrophobicContact CD1-CG2 3.56Å; Y897-V909 HydrophobicContact CE1-CG2 4.43Å; Y897-V909 HydrophobicContact CG-CG2 4.21Å
898	T	94.3	Very high	93.5	Very high	54 Å²	54	59.1 Å²	59.1	33%	0.331	30%	0.299	S	S	.	.	S	Bend	trans	-63.6	143.3	175.4	-54.4	0	0	0	0	110.4	M892 T893 N894 Q900	M892-T898 PolarHBondContact O-OG1 3.2Å; T893-T898 PolarHBondContact O-OG1 3.42Å; N894-T898 PolarHBondContact O-N 3.09Å; N894-T898 PolarHBondContact O-OG1 3.36Å; T898-Q900 PolarHBondContact O-N 2.91Å
899	K	92.7	Very high	93.5	Very high	76 Å²	76	59.1 Å²	59.1	33%	0.33	30%	0.299	S	S	.	.			trans	-65.2	129.1	175.4	-167.6	-175	171	-167.2	0	109.9	Y904 L932 E934	K899-Y904 HydrophobicContact CB-CD1 4.02Å; K899-Y904 HydrophobicContact CB-CD2 4.47Å; K899-Y904 HydrophobicContact CB-CE1 3.66Å; K899-Y904 HydrophobicContact CB-CE2 4.13Å; K899-Y904 HydrophobicContact CB-CG 4.41Å; K899-Y904 HydrophobicContact CD-CE2 4.14Å; K899-Y904 HydrophobicContact CG-CD2 4.24Å; K899-Y904 HydrophobicContact CG-CE1 4.43Å; K899-Y904 HydrophobicContact CG-CE2 4.11Å; K899-Y904 HydrophobicContact CG-CG 4.45Å; K899-L932 HydrophobicContact CD-CD1 3.99Å; K899-E934 IonicContact NZ-OE1 2.85Å; K899-E934 PolarHBondContact NZ-OE1 3.25Å
900	Q	90.6	Very high	93.5	Very high	90 Å²	90	57.7 Å²	57.7	42%	0.421	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-99.4	177.4	171	-56.4	-65.6	-22.9	0	0	109.7	P895 T898 W902 G903	P895-Q900 PolarHBondContact O-NE2 3.15Å; T898-Q900 PolarHBondContact O-N 2.91Å; Q900-W902 VanDerWaalsContact CB-CD1 3.42Å; Q900-W902 HydrophobicContact CB-CG 4.46Å; Q900-W902 VanDerWaalsContact CB-NE1 3.3Å; Q900-W902 PolarHBondContact O-N 3.2Å; Q900-W902 VanDerWaalsContact O-N 3.08Å; Q900-G903 PolarHBondContact N-O 3.41Å; Q900-G903 PolarHBondContact O-N 3.45Å
901	D	87.5	Confident	93.5	Very high	175 Å²	175	57.3 Å²	57.3	94%	0.936	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-30.5	-179.7	-63.4	-28.6	0	0	0	113.8
902	W	82.9	Confident	93.5	Very high	238 Å²	238	57.3 Å²	57.3	90%	0.902	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	6.7	-178.9	52.8	-55.2	0	0	0	112.7	Q900	Q900-W902 VanDerWaalsContact CB-CD1 3.42Å; Q900-W902 HydrophobicContact CB-CG 4.46Å; Q900-W902 VanDerWaalsContact CB-NE1 3.3Å; Q900-W902 PolarHBondContact O-N 3.2Å; Q900-W902 VanDerWaalsContact O-N 3.08Å
903	G	90.4	Very high	93.5	Very high	18 Å²	18	58.1 Å²	58.1	19%	0.186	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	105	-165.8	177.9	0	0	0	0	0	114	Q900	Q900-G903 PolarHBondContact N-O 3.41Å; Q900-G903 PolarHBondContact O-N 3.45Å
904	Y	94.2	Very high	93.6	Very high	51 Å²	51	56.4 Å²	56.4	20%	0.2	28%	0.28	C	S	.	.			trans	-76.9	151.9	172.9	-70.7	-75.8	0	0	0	110.7	M892 Y897 K899 P906 V909 K911	M892-Y904 HydrophobicContact CE-CE1 3.66Å; Y897-Y904 VanDerWaalsContact O-CD1 3.22Å; Y897-Y904 WeakPolarHBondContact O-CD1 3.17Å; Y897-Y904 WeakPolarHBondContact O-CE1 3.45Å; K899-Y904 HydrophobicContact CB-CD1 4.02Å; K899-Y904 HydrophobicContact CB-CD2 4.47Å; K899-Y904 HydrophobicContact CB-CE1 3.66Å; K899-Y904 HydrophobicContact CB-CE2 4.13Å; K899-Y904 HydrophobicContact CB-CG 4.41Å; K899-Y904 HydrophobicContact CD-CE2 4.14Å; K899-Y904 HydrophobicContact CG-CD2 4.24Å; K899-Y904 HydrophobicContact CG-CE1 4.43Å; K899-Y904 HydrophobicContact CG-CE2 4.11Å; K899-Y904 HydrophobicContact CG-CG 4.45Å; Y904-P906 WeakPolarHBondContact O-CD 3.4Å; Y904-P906 VanDerWaalsContact O-N 3.13Å; Y904-V909 HydrophobicContact CD1-CB 4.08Å; Y904-V909 HydrophobicContact CD1-CG1 3.84Å; Y904-V909 HydrophobicContact CD1-CG2 4.39Å; Y904-V909 HydrophobicContact CE1-CG1 4.31Å; Y904-V909 HydrophobicContact CG-CB 4.2Å; Y904-V909 HydrophobicContact CG-CG1 3.98Å; Y904-K911 HydrophobicContact CD2-CB 4.21Å; Y904-K911 HydrophobicContact CE2-CB 4.12Å; Y904-K911 HydrophobicContact CE2-CD 3.91Å
905	N	93.3	Very high	93.6	Very high	56 Å²	56	55 Å²	55	30%	0.299	27%	0.272	S	S	.	.			trans	-66.4	109.6	167.4	-178.7	-9.5	0	0	0	109.3	K907 L908 V909	N905-K907 PolarHBondContact O-N 3.22Å; N905-K907 VanDerWaalsContact O-N 3.09Å; N905-K907 WeakPolarHBondContact OD1-CB 3.33Å; N905-K907 PolarHBondContact OD1-N 2.89Å; N905-K907 VanDerWaalsContact OD1-N 3.15Å; N905-L908 PolarHBondContact O-N 2.88Å; N905-V909 PolarHBondContact O-N 3.43Å
906	P	91.3	Very high	93.6	Very high	54 Å²	54	54.5 Å²	54.5	35%	0.351	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-17.5	-171.8	29.2	-36.5	0	0	0	113	R705 Y904 L908 V909	R705-P906 WeakPolarHBondContact CG-O 3.3Å; Y904-P906 WeakPolarHBondContact O-CD 3.4Å; Y904-P906 VanDerWaalsContact O-N 3.13Å; P906-L908 VanDerWaalsContact C-N 3.29Å; P906-V909 WeakPolarHBondContact CA-O 3.47Å
907	K	92.1	Very high	93.6	Very high	73 Å²	73	53.8 Å²	53.8	32%	0.317	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-20.2	174.8	-57.6	-168.9	179.8	-154.2	0	113.4	E710 C711 Y716 N905	E710-K907 VanDerWaalsContact OE2-CE 3.29Å; E710-K907 WeakPolarHBondContact OE2-CE 3.37Å; E710-K907 IonicContact OE2-NZ 3.28Å; E710-K907 PolarHBondContact OE2-NZ 3.06Å; C711-K907 VanDerWaalsContact SG-CB 3.56Å; Y716-K907 WeakPolarHBondContact CD2-O 3.25Å; N905-K907 PolarHBondContact O-N 3.22Å; N905-K907 VanDerWaalsContact O-N 3.09Å; N905-K907 WeakPolarHBondContact OD1-CB 3.33Å; N905-K907 PolarHBondContact OD1-N 2.89Å; N905-K907 VanDerWaalsContact OD1-N 3.15Å
908	L	95.4	Very high	93.5	Very high	1 Å²	1	54 Å²	54	1%	0.005	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-35.3	-177.4	-66.2	179	0	0	0	112.6	V636 C711 L714 Y716 V717 L896 Y897 N905 P906	V636-L908 HydrophobicContact CG2-CD1 3.82Å; V636-L908 HydrophobicContact CG2-CG 4.47Å; C711-L908 HydrophobicContact CB-CD2 3.85Å; L714-L908 HydrophobicContact CB-CD2 4.08Å; L714-L908 HydrophobicContact CD1-CD2 4.2Å; Y716-L908 CarbonylContact C-O 3.52Å; V717-L908 PolarHBondContact N-O 3.25Å; L896-L908 HydrophobicContact CB-CD1 3.91Å; Y897-L908 HydrophobicContact CD1-CB 4.27Å; Y897-L908 HydrophobicContact CD2-CD1 4.44Å; Y897-L908 HydrophobicContact CE1-CB 4Å; Y897-L908 HydrophobicContact CE2-CD1 4.1Å; N905-L908 PolarHBondContact O-N 2.88Å; P906-L908 VanDerWaalsContact C-N 3.29Å
909	V	97.3	Very high	93.6	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	130.1	-174.9	-173.5	0	0	0	0	109.9	V717 F719 M892 Y897 Y904 N905 P906	V717-V909 HydrophobicContact CB-CG1 4.35Å; V717-V909 HydrophobicContact CB-CG2 4.17Å; V717-V909 HydrophobicContact CG1-CG1 4.28Å; V717-V909 WeakPolarHBondContact O-CA 3.4Å; F719-V909 HydrophobicContact CB-CG1 4.24Å; M892-V909 HydrophobicContact CE-CG1 4.33Å; M892-V909 HydrophobicContact SD-CG1 4.27Å; M892-V909 HydrophobicContact SD-CG2 4.24Å; Y897-V909 HydrophobicContact CD1-CG2 3.56Å; Y897-V909 HydrophobicContact CE1-CG2 4.43Å; Y897-V909 HydrophobicContact CG-CG2 4.21Å; Y904-V909 HydrophobicContact CD1-CB 4.08Å; Y904-V909 HydrophobicContact CD1-CG1 3.84Å; Y904-V909 HydrophobicContact CD1-CG2 4.39Å; Y904-V909 HydrophobicContact CE1-CG1 4.31Å; Y904-V909 HydrophobicContact CG-CB 4.2Å; Y904-V909 HydrophobicContact CG-CG1 3.98Å; N905-V909 PolarHBondContact O-N 3.43Å; P906-V909 WeakPolarHBondContact CA-O 3.47Å
910	T	97.4	Very high	93.7	Very high	11 Å²	11	50.2 Å²	50.2	7%	0.067	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120	164.2	-71.1	0	0	0	0	110	C698 A702 Y716 V717 F719	C698-T910 WeakPolarHBondContact O-CG2 3.17Å; A702-T910 HydrophobicContact CB-CG2 3.92Å; Y716-T910 WeakPolarHBondContact OH-CB 3.21Å; Y716-T910 PolarHBondContact OH-OG1 3.31Å; V717-T910 PolarHBondContact O-N 2.91Å; F719-T910 PolarHBondContact N-O 3.17Å
911	K	97.1	Very high	94	Very high	19 Å²	19	46.4 Å²	46.4	8%	0.083	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	125	175.3	-174.4	177.7	175.2	-173.9	0	110.1	F719 Y904 I913 Y931 E934	F719-K911 HydrophobicContact CB-CB 4.43Å; F719-K911 HydrophobicContact CD1-CB 4.23Å; F719-K911 HydrophobicContact CD1-CD 4Å; F719-K911 HydrophobicContact CD1-CG 3.92Å; F719-K911 HydrophobicContact CE1-CD 3.96Å; F719-K911 HydrophobicContact CE1-CG 4.3Å; F719-K911 HydrophobicContact CG-CG 4.2Å; F719-K911 CarbonylContact O-C 2.9Å; F719-K911 VanDerWaalsContact O-CA 3.24Å; F719-K911 WeakPolarHBondContact O-CA 3.16Å; Y904-K911 HydrophobicContact CD2-CB 4.21Å; Y904-K911 HydrophobicContact CE2-CB 4.12Å; Y904-K911 HydrophobicContact CE2-CD 3.91Å; K911-I913 HydrophobicContact CG-CG2 4.29Å; K911-Y931 PolarHBondContact NZ-O 3.02Å; K911-Y931 VanDerWaalsContact NZ-O 3.16Å; K911-E934 WeakPolarHBondContact CE-OE2 3.36Å; K911-E934 IonicContact NZ-OE2 3.72Å; K911-E934 PolarHBondContact NZ-OE2 3.11Å
912	L	97.1	Very high	94.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.183	C	C	.	.			trans	-83.7	126.9	171.6	-54.3	-177.1	0	0	0	109.5	C698 Q699 L718 F719 P721 T724 K726	C698-L912 HydrophobicContact CB-CD2 3.97Å; Q699-L912 HydrophobicContact CG-CD1 4.47Å; Q699-L912 HydrophobicContact CG-CD2 3.81Å; L718-L912 HydrophobicContact CD1-CD1 4.13Å; L718-L912 HydrophobicContact CD1-CD2 3.98Å; L718-L912 HydrophobicContact CD1-CG 3.97Å; F719-L912 PolarHBondContact O-N 2.91Å; P721-L912 WeakPolarHBondContact CD-O 3.47Å; T724-L912 HydrophobicContact CG2-CB 4.33Å; K726-L912 HydrophobicContact CG-CD1 4.28Å
913	I	95.8	Very high	95.1	Very high	41 Å²	41	27.6 Å²	27.6	21%	0.21	14%	0.142	C	C	.	.			trans	-111.9	-20.7	-173.9	63	176.2	0	0	0	114.3	K911 N915 L935 C936	K911-I913 HydrophobicContact CG-CG2 4.29Å; I913-N915 PolarHBondContact O-N 3.04Å; I913-L935 CarbonylContact O-C 3.58Å; I913-L935 WeakPolarHBondContact O-CA 3.39Å; I913-C936 PolarHBondContact O-N 2.98Å
914	Y	96.4	Very high	95.4	Very high	58 Å²	58	32.4 Å²	32.4	23%	0.227	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	114.1	-178.7	-59.7	-77.1	0	0	0	111.2	N696 T724 Y916 C936 K938	N696-Y914 HydrophobicContact CB-CD2 3.79Å; N696-Y914 HydrophobicContact CB-CE2 4.11Å; N696-Y914 VanDerWaalsContact CG-CD2 3.44Å; T724-Y914 VanDerWaalsContact CA-O 3.25Å; T724-Y914 WeakPolarHBondContact CA-O 3.4Å; Y914-Y916 VanDerWaalsContact O-CD2 3.28Å; Y914-Y916 WeakPolarHBondContact O-CD2 3.3Å; Y914-Y916 VanDerWaalsContact O-CE2 3.23Å; Y914-Y916 WeakPolarHBondContact O-CE2 3.38Å; Y914-C936 CarbonylContact C-O 3.55Å; Y914-C936 HydrophobicContact CD1-CB 3.69Å; Y914-C936 HydrophobicContact CE1-CB 4.07Å; Y914-K938 HydrophobicContact CD1-CD 4.42Å; Y914-K938 HydrophobicContact CD1-CG 3.67Å; Y914-K938 HydrophobicContact CG-CG 4.33Å
915	N	95.4	Very high	95.4	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.011	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	128.4	176.5	178.9	-72.4	0	0	0	111	P722 I913 R917 S918 L923 C936 K938 A939	P722-N915 PolarHBondContact O-ND2 3.4Å; I913-N915 PolarHBondContact O-N 3.04Å; N915-R917 PolarHBondContact OD1-N 3.26Å; N915-S918 PolarHBondContact OD1-N 3.42Å; N915-L923 HydrophobicContact CB-CD1 4.13Å; N915-L923 HydrophobicContact CB-CD2 3.57Å; N915-C936 PolarHBondContact N-O 2.78Å; N915-K938 CarbonylContact O-C 3.52Å; N915-K938 WeakPolarHBondContact O-CA 3.42Å; N915-K938 PolarHBondContact O-N 3.5Å; N915-A939 PolarHBondContact O-N 2.76Å
916	Y	94.1	Very high	95.6	Very high	86 Å²	86	28 Å²	28	34%	0.337	14%	0.141	S	C	.	.			trans	-113.2	15.7	-178.7	-59.1	-88.5	0	0	0	113	N696 G723 Y914 K938	N696-Y916 PolarHBondContact ND2-OH 2.87Å; G723-Y916 PolarHBondContact O-N 2.87Å; Y914-Y916 VanDerWaalsContact O-CD2 3.28Å; Y914-Y916 WeakPolarHBondContact O-CD2 3.3Å; Y914-Y916 VanDerWaalsContact O-CE2 3.23Å; Y914-Y916 WeakPolarHBondContact O-CE2 3.38Å; Y916-K938 HydrophobicContact CD1-CB 3.82Å; Y916-K938 WeakPolarHBondContact CD1-O 3.45Å; Y916-K938 HydrophobicContact CE1-CB 3.67Å
917	R	93.4	Very high	95.9	Very high	25 Å²	25	25.8 Å²	25.8	9%	0.094	13%	0.127	C	C	.	.	S	Bend	trans	-108.7	-53.9	-172.2	177.7	-174.2	-72.5	178.2	-8.7	113.2	N915 V944 E1044 T1082 K1085	N915-R917 PolarHBondContact OD1-N 3.26Å; R917-V944 WeakPolarHBondContact O-CG1 3.29Å; R917-E1044 IonicContact CZ-OE2 3.29Å; R917-E1044 IonicContact NE-OE2 3.43Å; R917-E1044 PolarHBondContact NE-OE2 2.89Å; R917-E1044 IonicContact NH2-OE2 2.74Å; R917-E1044 PolarHBondContact NH2-OE2 3.24Å; R917-T1082 PolarHBondContact NH1-O 3.14Å; R917-T1082 VanDerWaalsContact NH1-O 3.07Å; R917-K1085 HydrophobicContact CG-CG 3.88Å; R917-K1085 WeakPolarHBondContact O-CA 3.38Å; R917-K1085 WeakPolarHBondContact O-CB 3.26Å; R917-K1085 WeakPolarHBondContact O-CG 3.2Å
918	S	95	Very high	96.1	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.028	15%	0.146	C	C	.	.	S	Bend	trans	-117.4	143.6	-156.2	-58.1	0	0	0	0	111.5	N915 F937 P1084 K1085	N915-S918 PolarHBondContact OD1-N 3.42Å; S918-F937 WeakPolarHBondContact O-CD2 3.32Å; S918-F937 WeakPolarHBondContact O-CE2 3.17Å; S918-P1084 WeakPolarHBondContact CB-O 3.26Å; S918-P1084 PolarHBondContact OG-O 3.4Å; S918-K1085 WeakPolarHBondContact CA-O 3.27Å
919	H	96.5	Very high	96.1	Very high	26 Å²	26	33.4 Å²	33.4	12%	0.12	16%	0.163	C	C	.	.			trans	-49	147.7	171.4	-171.6	-95.8	0	0	0	112.3	A921 L922 L923 V944 D945 P959 K1085	H919-A921 VanDerWaalsContact C-N 3.3Å; H919-A921 WeakPolarHBondContact ND1-CB 3.4Å; H919-A921 PolarHBondContact ND1-N 3.09Å; H919-A921 VanDerWaalsContact ND1-N 3.12Å; H919-A921 PolarHBondContact O-N 2.87Å; H919-L922 HydrophobicContact CB-CD1 4Å; H919-L922 HydrophobicContact CB-CG 4.19Å; H919-L922 WeakPolarHBondContact O-CB 3.14Å; H919-L922 PolarHBondContact O-N 3.43Å; H919-L923 PolarHBondContact O-N 3.01Å; H919-L923 VanDerWaalsContact O-N 3.12Å; H919-V944 HydrophobicContact CB-CB 4.04Å; H919-D945 IonicContact CD2-OD1 2.72Å; H919-D945 PolarHBondContact CD2-OD1 2.67Å; H919-D945 IonicContact NE2-OD1 2.63Å; H919-D945 PolarHBondContact NE2-OD1 3.04Å; H919-P959 HydrophobicContact CB-CG 3.96Å; H919-P959 WeakPolarHBondContact ND1-CD 3.37Å; H919-P959 VanDerWaalsContact ND1-CG 3.35Å; H919-P959 WeakPolarHBondContact ND1-CG 3.39Å; H919-K1085 PolarHBondContact N-O 2.8Å
920	G	95.4	Very high	96.1	Very high	24 Å²	24	35.1 Å²	35.1	25%	0.247	17%	0.17	C	C	.	.	H	α-helix	trans	-54.7	-42.5	-177.9	0	0	0	0	0	113.6	L922 L923 M924	G920-L922 VanDerWaalsContact C-N 3.26Å; G920-L922 PolarHBondContact O-N 3.24Å; G920-L923 PolarHBondContact O-N 3.37Å; G920-L923 VanDerWaalsContact O-N 3.17Å; G920-M924 PolarHBondContact O-N 2.99Å
921	A	96	Very high	96	Very high	11 Å²	11	34.7 Å²	34.7	9%	0.091	17%	0.167	C	C	.	.	H	α-helix	trans	-61.5	-31.1	177	0	0	0	0	0	113.6	H919 F958 Y1109	H919-A921 VanDerWaalsContact C-N 3.3Å; H919-A921 WeakPolarHBondContact ND1-CB 3.4Å; H919-A921 PolarHBondContact ND1-N 3.09Å; H919-A921 VanDerWaalsContact ND1-N 3.12Å; H919-A921 PolarHBondContact O-N 2.87Å; A921-F958 HydrophobicContact CB-CD2 3.96Å; A921-F958 HydrophobicContact CB-CE2 3.96Å; A921-Y1109 WeakPolarHBondContact O-CE1 3.2Å; A921-Y1109 PolarHBondContact O-OH 3.14Å
922	L	96.9	Very high	95.8	Very high	9 Å²	9	39.4 Å²	39.4	5%	0.047	19%	0.193	C	C	.	.	H	α-helix	trans	-79	-31.5	177.7	-63.6	173.8	0	0	0	112	H919 G920 P926 P959 L960 P1084 L1088	H919-L922 HydrophobicContact CB-CD1 4Å; H919-L922 HydrophobicContact CB-CG 4.19Å; H919-L922 WeakPolarHBondContact O-CB 3.14Å; H919-L922 PolarHBondContact O-N 3.43Å; G920-L922 VanDerWaalsContact C-N 3.26Å; G920-L922 PolarHBondContact O-N 3.24Å; L922-P926 WeakPolarHBondContact O-CD 3.42Å; L922-P926 VanDerWaalsContact O-CG 3.24Å; L922-P926 WeakPolarHBondContact O-CG 3.45Å; L922-P959 WeakPolarHBondContact CD2-O 3.42Å; L922-L960 HydrophobicContact CD2-CB 3.94Å; L922-L960 HydrophobicContact CD2-CD1 4.37Å; L922-P1084 HydrophobicContact CD1-CB 4.17Å; L922-P1084 HydrophobicContact CD1-CG 4.19Å; L922-P1084 HydrophobicContact CD2-CG 4.46Å; L922-L1088 HydrophobicContact CD2-CB 3.46Å; L922-L1088 VanDerWaalsContact CD2-CB 3.46Å; L922-L1088 HydrophobicContact CD2-CD2 4.37Å
923	L	96.1	Very high	95.7	Very high	9 Å²	9	41.8 Å²	41.8	5%	0.047	22%	0.217	C	C	.	.	H	α-helix	trans	-82.4	-30.4	-176.4	-172.3	64.3	0	0	0	113.1	N915 H919 G920 L925 P926 S927 L935 F937	N915-L923 HydrophobicContact CB-CD1 4.13Å; N915-L923 HydrophobicContact CB-CD2 3.57Å; H919-L923 PolarHBondContact O-N 3.01Å; H919-L923 VanDerWaalsContact O-N 3.12Å; G920-L923 PolarHBondContact O-N 3.37Å; G920-L923 VanDerWaalsContact O-N 3.17Å; L923-L925 PolarHBondContact O-N 3.21Å; L923-P926 WeakPolarHBondContact O-CD 3.36Å; L923-S927 WeakPolarHBondContact O-CB 3.31Å; L923-S927 PolarHBondContact O-N 3.35Å; L923-L935 HydrophobicContact CD1-CB 4.25Å; L923-L935 HydrophobicContact CD1-CD1 3.7Å; L923-L935 HydrophobicContact CD2-CB 4.08Å; L923-L935 HydrophobicContact CG-CB 4.2Å; L923-L935 HydrophobicContact CG-CD1 4.47Å; L923-F937 HydrophobicContact CD2-CB 4.31Å
924	M	96.2	Very high	95.6	Very high	118 Å²	118	42.5 Å²	42.5	58%	0.581	22%	0.22	S	C	*	.	H	α-helix	trans	-55.2	-52.6	-171.4	-174.9	-179.1	-66.6	0	0	113.1	G920 S927 K928 Y1109	G920-M924 PolarHBondContact O-N 2.99Å; M924-S927 WeakPolarHBondContact O-CB 3.35Å; M924-S927 PolarHBondContact O-N 3.28Å; M924-K928 PolarHBondContact O-N 3.11Å; M924-Y1109 HydrophobicContact SD-CE2 3.77Å
925	L	96.1	Very high	95.6	Very high	14 Å²	14	40.6 Å²	40.6	7%	0.073	21%	0.213	C	C	.	.	H	α-helix	trans	-65.6	-52.5	-178.4	-179.7	71.5	0	0	0	112.8	L923 S927 K928 L929 A1105 L1106 Y1109	L923-L925 PolarHBondContact O-N 3.21Å; L925-S927 VanDerWaalsContact C-N 3.26Å; L925-S927 PolarHBondContact O-N 3.01Å; L925-K928 PolarHBondContact O-N 2.85Å; L925-K928 VanDerWaalsContact O-N 3.15Å; L925-L929 HydrophobicContact CD1-CD1 3.86Å; L925-L929 HydrophobicContact CD1-CG 4.01Å; L925-L929 HydrophobicContact CD2-CD1 4.41Å; L925-L929 HydrophobicContact CG-CD1 3.85Å; L925-L929 HydrophobicContact CG-CG 4.31Å; L925-L929 WeakPolarHBondContact O-CG 3.41Å; L925-L929 PolarHBondContact O-N 3.21Å; L925-A1105 HydrophobicContact CD1-CB 4.14Å; L925-L1106 HydrophobicContact CD2-CB 3.77Å; L925-L1106 HydrophobicContact CD2-CD1 3.55Å; L925-L1106 HydrophobicContact CD2-CG 4.28Å; L925-Y1109 HydrophobicContact CB-CD1 4.08Å; L925-Y1109 HydrophobicContact CB-CE1 4.25Å; L925-Y1109 HydrophobicContact CB-CG 4.48Å; L925-Y1109 HydrophobicContact CD2-CD1 4.3Å
926	P	96.8	Very high	95.6	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.013	23%	0.228	C	C	.	.	H	α-helix	trans	-59.1	-36.9	175.9	0.1	-3.7	0	0	0	112.8	L922 L923 K928 L929 F930 Y931 I1081 T1082	L922-P926 WeakPolarHBondContact O-CD 3.42Å; L922-P926 VanDerWaalsContact O-CG 3.24Å; L922-P926 WeakPolarHBondContact O-CG 3.45Å; L923-P926 WeakPolarHBondContact O-CD 3.36Å; P926-K928 PolarHBondContact O-N 3.32Å; P926-L929 PolarHBondContact O-N 3.01Å; P926-F930 HydrophobicContact CB-CD2 4.3Å; P926-F930 PolarHBondContact O-N 3.2Å; P926-Y931 WeakPolarHBondContact O-CD2 3.31Å; P926-I1081 HydrophobicContact CB-CD1 3.99Å; P926-I1081 HydrophobicContact CB-CG1 4.43Å; P926-I1081 HydrophobicContact CG-CD1 3.63Å; P926-I1081 HydrophobicContact CG-CG1 4.09Å; P926-T1082 HydrophobicContact CB-CG2 3.69Å; P926-T1082 HydrophobicContact CG-CG2 3.8Å
927	S	97.3	Very high	95.5	Very high	7 Å²	7	42 Å²	42	5%	0.049	23%	0.226	C	C	.	.	H	α-helix	trans	-57.5	-48.9	174.6	-172.3	0	0	0	0	111.3	L923 M924 L925 Y931 L932 G933 E934 L935	L923-S927 WeakPolarHBondContact O-CB 3.31Å; L923-S927 PolarHBondContact O-N 3.35Å; M924-S927 WeakPolarHBondContact O-CB 3.35Å; M924-S927 PolarHBondContact O-N 3.28Å; L925-S927 VanDerWaalsContact C-N 3.26Å; L925-S927 PolarHBondContact O-N 3.01Å; S927-Y931 CarbonylContact O-C 3.52Å; S927-Y931 VanDerWaalsContact O-CA 3.32Å; S927-Y931 WeakPolarHBondContact O-CA 3.37Å; S927-Y931 PolarHBondContact O-N 3.4Å; S927-L932 PolarHBondContact O-N 2.81Å; S927-L932 VanDerWaalsContact O-N 3.17Å; S927-G933 PolarHBondContact O-N 3.11Å; S927-G933 WeakPolarHBondContact OG-CA 3.33Å; S927-E934 PolarHBondContact OG-N 2.88Å; S927-L935 WeakPolarHBondContact OG-CB 3.31Å; S927-L935 PolarHBondContact OG-N 3.36Å; S927-L935 VanDerWaalsContact OG-N 3.08Å
928	K	96.4	Very high	95.5	Very high	166 Å²	166	46.5 Å²	46.5	72%	0.722	25%	0.247	S	C	*	.	H	α-helix	trans	-64.3	-46.3	178.5	-172.5	177.6	-179.2	179.9	0	112.5	M924 L925 P926	M924-K928 PolarHBondContact O-N 3.11Å; L925-K928 PolarHBondContact O-N 2.85Å; L925-K928 VanDerWaalsContact O-N 3.15Å; P926-K928 PolarHBondContact O-N 3.32Å
929	L	95.8	Very high	95.3	Very high	68 Å²	68	46.8 Å²	46.8	36%	0.356	25%	0.249	S	C	.	.	H	α-helix	trans	-73.8	-39.2	-173.9	-67.6	179.1	0	0	0	113.7	L925 P926 F1077 A1105	L925-L929 HydrophobicContact CD1-CD1 3.86Å; L925-L929 HydrophobicContact CD1-CG 4.01Å; L925-L929 HydrophobicContact CD2-CD1 4.41Å; L925-L929 HydrophobicContact CG-CD1 3.85Å; L925-L929 HydrophobicContact CG-CG 4.31Å; L925-L929 WeakPolarHBondContact O-CG 3.41Å; L925-L929 PolarHBondContact O-N 3.21Å; P926-L929 PolarHBondContact O-N 3.01Å; L929-F1077 HydrophobicContact CD1-CE1 4.05Å; L929-A1105 HydrophobicContact CD1-CB 4.31Å; L929-A1105 HydrophobicContact CD2-CB 4.11Å
930	F	96.1	Very high	95.1	Very high	37 Å²	37	50.5 Å²	50.5	16%	0.162	27%	0.267	C	S	.	.	H	α-helix	trans	-116.8	-17.6	-168.2	-57.9	-67.7	0	0	0	114.1	C867 P926 P1074 F1077 N1078	C867-F930 HydrophobicContact CB-CB 4.26Å; P926-F930 HydrophobicContact CB-CD2 4.3Å; P926-F930 PolarHBondContact O-N 3.2Å; F930-P1074 HydrophobicContact CE1-CB 3.92Å; F930-P1074 HydrophobicContact CZ-CB 4.45Å; F930-P1074 WeakPolarHBondContact CZ-O 3.11Å; F930-F1077 AromaticContact CE2-CD1 3.86Å; F930-F1077 HydrophobicContact CE2-CD1 3.86Å; F930-F1077 HydrophobicContact CE2-CE1 4.15Å; F930-F1077 AromaticContact CZ-CD1 3.79Å; F930-F1077 HydrophobicContact CZ-CD1 3.79Å; F930-F1077 HydrophobicContact CZ-CE1 4.38Å; F930-N1078 HydrophobicContact CD1-CB 4.33Å; F930-N1078 HydrophobicContact CD2-CB 3.69Å; F930-N1078 VanDerWaalsContact CD2-CG 3.41Å; F930-N1078 HydrophobicContact CE1-CB 4.2Å; F930-N1078 HydrophobicContact CE2-CB 3.54Å; F930-N1078 HydrophobicContact CG-CB 4.09Å; F930-N1078 HydrophobicContact CZ-CB 3.83Å
931	Y	95.9	Very high	94.9	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.008	29%	0.286	C	S	.	.	S	Bend	trans	-132.8	22.4	-168.3	-52.8	-72.4	0	0	0	113.9	F719 P721 P722 D865 C867 K911 P926 S927 G933 E934 L935 N1078	F719-Y931 HydrophobicContact CE2-CD1 4.32Å; F719-Y931 AromaticContact CE2-CE1 3.98Å; F719-Y931 HydrophobicContact CE2-CE1 3.98Å; F719-Y931 AromaticContact CZ-CD1 3.94Å; F719-Y931 HydrophobicContact CZ-CD1 3.94Å; F719-Y931 AromaticContact CZ-CE1 3.98Å; F719-Y931 HydrophobicContact CZ-CE1 3.98Å; P721-Y931 HydrophobicContact CB-CD1 3.97Å; P721-Y931 HydrophobicContact CB-CE1 3.69Å; P721-Y931 HydrophobicContact CB-CE2 4.32Å; P721-Y931 HydrophobicContact CB-CG 4.38Å; P721-Y931 HydrophobicContact CG-CD1 3.64Å; P721-Y931 HydrophobicContact CG-CE1 3.7Å; P721-Y931 HydrophobicContact CG-CG 4.29Å; P722-Y931 WeakPolarHBondContact CD-OH 3.46Å; D865-Y931 PolarHBondContact OD2-OH 3.42Å; C867-Y931 HydrophobicContact CB-CE1 3.82Å; K911-Y931 PolarHBondContact NZ-O 3.02Å; K911-Y931 VanDerWaalsContact NZ-O 3.16Å; P926-Y931 WeakPolarHBondContact O-CD2 3.31Å; S927-Y931 CarbonylContact O-C 3.52Å; S927-Y931 VanDerWaalsContact O-CA 3.32Å; S927-Y931 WeakPolarHBondContact O-CA 3.37Å; S927-Y931 PolarHBondContact O-N 3.4Å; Y931-G933 PolarHBondContact O-N 3.4Å; Y931-E934 WeakPolarHBondContact O-CB 3.26Å; Y931-E934 PolarHBondContact O-N 2.74Å; Y931-L935 HydrophobicContact CD2-CD1 3.54Å; Y931-L935 HydrophobicContact CD2-CG 4.2Å; Y931-L935 HydrophobicContact CE2-CD1 4.12Å; Y931-L935 HydrophobicContact CG-CD1 3.96Å; Y931-L935 HydrophobicContact CG-CD2 4.21Å; Y931-L935 HydrophobicContact CG-CG 4.17Å; Y931-N1078 PolarHBondContact OH-ND2 3.06Å
932	L	93.6	Very high	94.6	Very high	119 Å²	119	64.3 Å²	64.3	62%	0.623	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	23.8	176.3	-53.4	175.2	0	0	0	114.3	K899 S927 E934	K899-L932 HydrophobicContact CD-CD1 3.99Å; S927-L932 PolarHBondContact O-N 2.81Å; S927-L932 VanDerWaalsContact O-N 3.17Å; L932-E934 HydrophobicContact CB-CG 4.21Å; L932-E934 PolarHBondContact O-N 3.1Å
933	G	94.9	Very high	94.3	Very high	49 Å²	49	66 Å²	66	51%	0.505	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	9.5	-177.9	0	0	0	0	0	114.7	S927 Y931	S927-G933 PolarHBondContact O-N 3.11Å; S927-G933 WeakPolarHBondContact OG-CA 3.33Å; Y931-G933 PolarHBondContact O-N 3.4Å
934	E	94.4	Very high	94.2	Very high	57 Å²	57	65.6 Å²	65.6	27%	0.266	32%	0.322	S	S	.	.			trans	-82.3	-13.4	-170.3	-64.6	175.1	176.4	0	0	114.8	K899 K911 S927 Y931 L932 C936	K899-E934 IonicContact NZ-OE1 2.85Å; K899-E934 PolarHBondContact NZ-OE1 3.25Å; K911-E934 WeakPolarHBondContact CE-OE2 3.36Å; K911-E934 IonicContact NZ-OE2 3.72Å; K911-E934 PolarHBondContact NZ-OE2 3.11Å; S927-E934 PolarHBondContact OG-N 2.88Å; Y931-E934 WeakPolarHBondContact O-CB 3.26Å; Y931-E934 PolarHBondContact O-N 2.74Å; L932-E934 HydrophobicContact CB-CG 4.21Å; L932-E934 PolarHBondContact O-N 3.1Å; E934-C936 PolarHBondContact O-N 3.1Å
935	L	96.1	Very high	94.1	Very high	17 Å²	17	62.9 Å²	62.9	9%	0.089	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-71.8	127.5	-173.8	-53	-173	0	0	0	111.7	P721 I913 L923 S927 Y931	P721-L935 HydrophobicContact CB-CD1 4.03Å; P721-L935 HydrophobicContact CB-CD2 3.74Å; P721-L935 HydrophobicContact CG-CD2 3.63Å; I913-L935 CarbonylContact O-C 3.58Å; I913-L935 WeakPolarHBondContact O-CA 3.39Å; L923-L935 HydrophobicContact CD1-CB 4.25Å; L923-L935 HydrophobicContact CD1-CD1 3.7Å; L923-L935 HydrophobicContact CD2-CB 4.08Å; L923-L935 HydrophobicContact CG-CB 4.2Å; L923-L935 HydrophobicContact CG-CD1 4.47Å; S927-L935 WeakPolarHBondContact OG-CB 3.31Å; S927-L935 PolarHBondContact OG-N 3.36Å; S927-L935 VanDerWaalsContact OG-N 3.08Å; Y931-L935 HydrophobicContact CD2-CD1 3.54Å; Y931-L935 HydrophobicContact CD2-CG 4.2Å; Y931-L935 HydrophobicContact CE2-CD1 4.12Å; Y931-L935 HydrophobicContact CG-CD1 3.96Å; Y931-L935 HydrophobicContact CG-CD2 4.21Å; Y931-L935 HydrophobicContact CG-CG 4.17Å
936	C	94.5	Very high	94	Very high	49 Å²	49	65.2 Å²	65.2	33%	0.331	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.4	179	-64.9	0	0	0	0	111.1	I913 Y914 N915 E934	I913-C936 PolarHBondContact O-N 2.98Å; Y914-C936 CarbonylContact C-O 3.55Å; Y914-C936 HydrophobicContact CD1-CB 3.69Å; Y914-C936 HydrophobicContact CE1-CB 4.07Å; N915-C936 PolarHBondContact N-O 2.78Å; E934-C936 PolarHBondContact O-N 3.1Å
937	F	92.4	Very high	93.8	Very high	68 Å²	68	65.4 Å²	65.4	30%	0.298	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	121.6	177	171.9	-109.1	0	0	0	111.9	S918 L923 A939 V944	S918-F937 WeakPolarHBondContact O-CD2 3.32Å; S918-F937 WeakPolarHBondContact O-CE2 3.17Å; L923-F937 HydrophobicContact CD2-CB 4.31Å; F937-A939 HydrophobicContact CD2-CB 4.26Å; F937-A939 HydrophobicContact CE2-CB 3.66Å; F937-A939 HydrophobicContact CZ-CB 4.33Å; F937-V944 HydrophobicContact CE2-CG2 3.97Å; F937-V944 HydrophobicContact CZ-CG2 3.65Å
938	K	93.5	Very high	93.5	Very high	121 Å²	121	65.2 Å²	65.2	53%	0.526	33%	0.327	S	S	.	.			trans	-139.3	17.4	179.6	-68	-65.2	-175	178.7	0	113.1	Y914 N915 Y916	Y914-K938 HydrophobicContact CD1-CD 4.42Å; Y914-K938 HydrophobicContact CD1-CG 3.67Å; Y914-K938 HydrophobicContact CG-CG 4.33Å; N915-K938 CarbonylContact O-C 3.52Å; N915-K938 WeakPolarHBondContact O-CA 3.42Å; N915-K938 PolarHBondContact O-N 3.5Å; Y916-K938 HydrophobicContact CD1-CB 3.82Å; Y916-K938 WeakPolarHBondContact CD1-O 3.45Å; Y916-K938 HydrophobicContact CE1-CB 3.67Å
939	A	91.4	Very high	93.2	Very high	9 Å²	9	62.9 Å²	62.9	7%	0.074	32%	0.318	C	S	.	.			trans	-70.8	154.1	178.8	0	0	0	0	0	111.8	N915 F937 R941 V944	N915-A939 PolarHBondContact O-N 2.76Å; F937-A939 HydrophobicContact CD2-CB 4.26Å; F937-A939 HydrophobicContact CE2-CB 3.66Å; F937-A939 HydrophobicContact CZ-CB 4.33Å; A939-R941 PolarHBondContact O-N 2.88Å; A939-V944 HydrophobicContact CB-CG1 3.62Å; A939-V944 HydrophobicContact CB-CG2 4.37Å
940	Q	91.2	Very high	92.9	Very high	105 Å²	105	60.8 Å²	60.8	49%	0.491	31%	0.306	S	S	.	.			trans	-65.2	120.6	175.8	-73.2	179.6	-16.6	0	0	110.4	E942 I943 V944	Q940-E942 VanDerWaalsContact C-N 3.26Å; Q940-E942 PolarHBondContact O-N 3.4Å; Q940-I943 HydrophobicContact CB-CD1 4.4Å; Q940-I943 HydrophobicContact CB-CG1 4.49Å; Q940-I943 PolarHBondContact O-N 3.25Å; Q940-I943 VanDerWaalsContact O-N 3.15Å; Q940-V944 WeakPolarHBondContact O-CG2 3.18Å; Q940-V944 PolarHBondContact O-N 2.78Å
941	R	90.9	Very high	92.4	Very high	173 Å²	173	67.5 Å²	67.5	65%	0.653	34%	0.335	S	S	*	.	H	α-helix	trans	-59	-37.1	-175.7	-75.8	-167.5	-177.7	177.3	-0.8	112.3	A939 I943 V944 D945	A939-R941 PolarHBondContact O-N 2.88Å; R941-I943 PolarHBondContact O-N 3.23Å; R941-I943 VanDerWaalsContact O-N 3.12Å; R941-V944 PolarHBondContact O-N 2.93Å; R941-D945 WeakPolarHBondContact CB-OD2 3.46Å; R941-D945 WeakPolarHBondContact O-CB 3.34Å; R941-D945 VanDerWaalsContact O-CG 3.28Å; R941-D945 PolarHBondContact O-N 3.41Å
942	E	90.6	Very high	91.9	Very high	151 Å²	151	70.1 Å²	70.1	71%	0.706	35%	0.349	S	S	*	.	H	α-helix	trans	-59.5	-30.3	-179.5	-56.8	74.9	-161.4	0	0	112.8	Q940	Q940-E942 VanDerWaalsContact C-N 3.26Å; Q940-E942 PolarHBondContact O-N 3.4Å
943	I	91.3	Very high	91.8	Very high	45 Å²	45	64.8 Å²	64.8	23%	0.231	32%	0.321	C	S	.	.	H	α-helix	trans	-88.2	-48.9	179.6	-60.5	176.9	0	0	0	110.4	Q940 R941 S946 L1046 K1085 A1086	Q940-I943 HydrophobicContact CB-CD1 4.4Å; Q940-I943 HydrophobicContact CB-CG1 4.49Å; Q940-I943 PolarHBondContact O-N 3.25Å; Q940-I943 VanDerWaalsContact O-N 3.15Å; R941-I943 PolarHBondContact O-N 3.23Å; R941-I943 VanDerWaalsContact O-N 3.12Å; I943-S946 WeakPolarHBondContact O-CB 3.21Å; I943-S946 PolarHBondContact O-OG 2.85Å; I943-S946 VanDerWaalsContact O-OG 3.1Å; I943-L1046 HydrophobicContact CG2-CD1 3.91Å; I943-K1085 HydrophobicContact CG2-CD 4.36Å; I943-A1086 WeakPolarHBondContact O-CB 3.01Å
944	V	93.1	Very high	91.5	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.006	31%	0.312	C	S	.	.	H	α-helix	trans	-80.1	-23.7	-170.8	-59.9	0	0	0	0	113.3	R917 H919 F937 A939 Q940 R941 K1085	R917-V944 WeakPolarHBondContact O-CG1 3.29Å; H919-V944 HydrophobicContact CB-CB 4.04Å; F937-V944 HydrophobicContact CE2-CG2 3.97Å; F937-V944 HydrophobicContact CZ-CG2 3.65Å; A939-V944 HydrophobicContact CB-CG1 3.62Å; A939-V944 HydrophobicContact CB-CG2 4.37Å; Q940-V944 WeakPolarHBondContact O-CG2 3.18Å; Q940-V944 PolarHBondContact O-N 2.78Å; R941-V944 PolarHBondContact O-N 2.93Å; V944-K1085 WeakPolarHBondContact CG1-O 3.42Å
945	D	94.2	Very high	91.4	Very high	60 Å²	60	66.3 Å²	66.3	32%	0.321	32%	0.318	S	S	.	.	S	Bend	trans	-91.9	-3	177.8	-54.4	-13.9	0	0	0	111.7	H919 R941 L947 C948	H919-D945 IonicContact CD2-OD1 2.72Å; H919-D945 PolarHBondContact CD2-OD1 2.67Å; H919-D945 IonicContact NE2-OD1 2.63Å; H919-D945 PolarHBondContact NE2-OD1 3.04Å; R941-D945 WeakPolarHBondContact CB-OD2 3.46Å; R941-D945 WeakPolarHBondContact O-CB 3.34Å; R941-D945 VanDerWaalsContact O-CG 3.28Å; R941-D945 PolarHBondContact O-N 3.41Å; D945-L947 PolarHBondContact O-N 3.1Å; D945-C948 WeakPolarHBondContact O-CB 3.4Å; D945-C948 PolarHBondContact O-N 3.38Å; D945-C948 VanDerWaalsContact O-N 3.08Å
946	S	93	Very high	91.2	Very high	64 Å²	64	69.5 Å²	69.5	45%	0.448	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-20	-171.4	76.3	0	0	0	0	114.2	I943	I943-S946 WeakPolarHBondContact O-CB 3.21Å; I943-S946 PolarHBondContact O-OG 2.85Å; I943-S946 VanDerWaalsContact O-OG 3.1Å
947	L	92.7	Very high	91.1	Very high	6 Å²	6	71.8 Å²	71.8	3%	0.031	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	5.6	-178.6	-66.1	172.2	0	0	0	113.7	D945 Q949 W950 P1001 V1002 L1046 V1047 A1086 L1087	D945-L947 PolarHBondContact O-N 3.1Å; L947-Q949 PolarHBondContact O-N 2.84Å; L947-W950 VanDerWaalsContact O-CB 3.25Å; L947-W950 WeakPolarHBondContact O-CB 3.45Å; L947-W950 PolarHBondContact O-N 2.76Å; L947-W950 VanDerWaalsContact O-N 3.07Å; L947-P1001 HydrophobicContact CD2-CB 4.14Å; L947-V1002 HydrophobicContact CD1-CG2 3.95Å; L947-V1002 HydrophobicContact CD2-CG2 3.84Å; L947-V1002 HydrophobicContact CG-CG2 4.43Å; L947-L1046 HydrophobicContact CD1-CD2 4.4Å; L947-L1046 HydrophobicContact CD1-CG 4.37Å; L947-V1047 HydrophobicContact CD1-CG2 3.35Å; L947-A1086 HydrophobicContact CD1-CB 4.28Å; L947-L1087 HydrophobicContact CB-CB 4.31Å; L947-L1087 HydrophobicContact CD1-CB 3.75Å; L947-L1087 HydrophobicContact CD1-CD2 4.1Å
948	C	91.9	Very high	91.2	Very high	3 Å²	3	69.3 Å²	69.3	2%	0.02	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-25.5	178.2	-78.7	0	0	0	0	113.4	D945 L953 D957	D945-C948 WeakPolarHBondContact O-CB 3.4Å; D945-C948 PolarHBondContact O-N 3.38Å; D945-C948 VanDerWaalsContact O-N 3.08Å; C948-L953 WeakPolarHBondContact O-CD2 3.43Å; C948-D957 WeakPolarHBondContact CB-OD1 3.32Å; C948-D957 PolarHBondContact O-N 3.35Å
949	Q	88.8	Confident	91.3	Very high	116 Å²	116	63.6 Å²	63.6	54%	0.542	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	4.1	178.9	-62.7	-58.8	-35.6	0	0	113.8	L947 K951 K956 D957	L947-Q949 PolarHBondContact O-N 2.84Å; Q949-K951 PolarHBondContact O-N 2.94Å; Q949-K956 PolarHBondContact O-NZ 2.85Å; Q949-K956 VanDerWaalsContact O-NZ 3.16Å; Q949-D957 PolarHBondContact NE2-OD1 3.41Å; Q949-D957 PolarHBondContact NE2-OD2 3.22Å
950	W	90.3	Very high	91.6	Very high	25 Å²	25	63.4 Å²	63.4	10%	0.095	30%	0.302	C	S	.	.			trans	-52.5	130.1	-179.8	-178.9	54.2	0	0	0	111.2	L947 N952 L953 K956 F961 Y990 Q993 L994 L1087 I1089	L947-W950 VanDerWaalsContact O-CB 3.25Å; L947-W950 WeakPolarHBondContact O-CB 3.45Å; L947-W950 PolarHBondContact O-N 2.76Å; L947-W950 VanDerWaalsContact O-N 3.07Å; W950-N952 HydrophobicContact CD2-CB 4.24Å; W950-N952 HydrophobicContact CE3-CB 4.21Å; W950-N952 HydrophobicContact CH2-CB 3.81Å; W950-N952 HydrophobicContact CZ2-CB 3.83Å; W950-N952 HydrophobicContact CZ3-CB 4Å; W950-N952 PolarHBondContact O-N 2.79Å; W950-N952 VanDerWaalsContact O-N 3.13Å; W950-L953 HydrophobicContact CE3-CB 4.38Å; W950-L953 VanDerWaalsContact O-CB 3.27Å; W950-L953 WeakPolarHBondContact O-CB 3.32Å; W950-L953 PolarHBondContact O-N 2.84Å; W950-K956 PolarHBondContact O-NZ 2.81Å; W950-F961 AromaticContact CZ3-CE1 3.89Å; W950-F961 HydrophobicContact CZ3-CE1 3.89Å; W950-F961 HydrophobicContact CZ3-CZ 4.1Å; W950-Y990 AromaticContact CH2-CD1 3.99Å; W950-Y990 HydrophobicContact CH2-CD1 3.99Å; W950-Y990 HydrophobicContact CH2-CE1 4.36Å; W950-Q993 HydrophobicContact CZ2-CB 4.06Å; W950-L994 HydrophobicContact CD2-CD2 4.25Å; W950-L994 HydrophobicContact CH2-CD2 4.23Å; W950-L994 HydrophobicContact CH2-CG 4.42Å; W950-L994 HydrophobicContact CZ2-CD2 3.69Å; W950-L994 HydrophobicContact CZ2-CG 3.96Å; W950-L1087 HydrophobicContact CE3-CD2 3.88Å; W950-L1087 HydrophobicContact CZ3-CD2 4.02Å; W950-I1089 HydrophobicContact CH2-CD1 4.06Å; W950-I1089 HydrophobicContact CZ3-CD1 4.05Å
951	K	86.3	Confident	91.9	Very high	178 Å²	178	58.4 Å²	58.4	77%	0.774	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-39	-167.9	-175.4	179	176.6	-178	0	112.9	Q949 L953 K956	Q949-K951 PolarHBondContact O-N 2.94Å; K951-L953 VanDerWaalsContact C-N 3.31Å; K951-L953 PolarHBondContact O-N 3.34Å; K951-K956 PolarHBondContact O-NZ 3.23Å
952	N	85.5	Confident	92.2	Very high	57 Å²	57	50.1 Å²	50.1	31%	0.305	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	5.4	-173.3	-57.8	-16.7	0	0	0	113.4	W950 Q993	W950-N952 HydrophobicContact CD2-CB 4.24Å; W950-N952 HydrophobicContact CE3-CB 4.21Å; W950-N952 HydrophobicContact CH2-CB 3.81Å; W950-N952 HydrophobicContact CZ2-CB 3.83Å; W950-N952 HydrophobicContact CZ3-CB 4Å; W950-N952 PolarHBondContact O-N 2.79Å; W950-N952 VanDerWaalsContact O-N 3.13Å; N952-Q993 PolarHBondContact ND2-OE1 2.99Å
953	L	90	Very high	92.5	Very high	7 Å²	7	43.6 Å²	43.6	4%	0.037	22%	0.217	C	C	.	.			trans	-71.8	128	173.9	-164.3	68.3	0	0	0	109.6	C948 W950 K951 K955 F961 L1087	C948-L953 WeakPolarHBondContact O-CD2 3.43Å; W950-L953 HydrophobicContact CE3-CB 4.38Å; W950-L953 VanDerWaalsContact O-CB 3.27Å; W950-L953 WeakPolarHBondContact O-CB 3.32Å; W950-L953 PolarHBondContact O-N 2.84Å; K951-L953 VanDerWaalsContact C-N 3.31Å; K951-L953 PolarHBondContact O-N 3.34Å; L953-K955 VanDerWaalsContact C-N 3.33Å; L953-K955 WeakPolarHBondContact CD2-O 3.18Å; L953-K955 VanDerWaalsContact CG-O 3.29Å; L953-K955 WeakPolarHBondContact CG-O 3.48Å; L953-K955 PolarHBondContact O-N 3.29Å; L953-F961 HydrophobicContact CD1-CD1 3.76Å; L953-F961 HydrophobicContact CD1-CE1 4.14Å; L953-L1087 HydrophobicContact CD1-CD1 3.86Å
954	P	89.9	Confident	92.6	Very high	47 Å²	47	41.5 Å²	41.5	31%	0.305	21%	0.206	S	C	.	.	S	Bend	trans	-62.5	-40.8	-176.2	-18.6	28.6	0	0	0	112.5	F961 L1117	P954-F961 HydrophobicContact CG-CB 3.67Å; P954-F961 HydrophobicContact CG-CD1 4.37Å; P954-F961 HydrophobicContact CG-CD2 4.01Å; P954-F961 HydrophobicContact CG-CG 3.77Å; P954-L1117 HydrophobicContact CB-CD1 4.36Å; P954-L1117 HydrophobicContact CB-CD2 4.17Å; P954-L1117 HydrophobicContact CB-CG 4.11Å; P954-L1117 HydrophobicContact CG-CD1 3.61Å; P954-L1117 HydrophobicContact CG-CD2 4.22Å; P954-L1117 HydrophobicContact CG-CG 3.62Å
955	K	91.4	Very high	92.5	Very high	91 Å²	91	41.4 Å²	41.4	40%	0.396	21%	0.206	S	C	.	.	S	Bend	trans	-125.1	121.8	175.3	-179.1	170.5	-177.4	177.6	0	109.9	L953 F958 N1113	L953-K955 VanDerWaalsContact C-N 3.33Å; L953-K955 WeakPolarHBondContact CD2-O 3.18Å; L953-K955 VanDerWaalsContact CG-O 3.29Å; L953-K955 WeakPolarHBondContact CG-O 3.48Å; L953-K955 PolarHBondContact O-N 3.29Å; K955-F958 HydrophobicContact CB-CB 4.18Å; K955-F958 HydrophobicContact CD-CB 4.26Å; K955-F958 HydrophobicContact CG-CB 4.09Å; K955-F958 PolarHBondContact O-N 2.7Å; K955-N1113 WeakPolarHBondContact CD-O 3.42Å; K955-N1113 PolarHBondContact NZ-O 2.86Å; K955-N1113 VanDerWaalsContact NZ-O 3.13Å
956	K	91.5	Very high	92.2	Very high	84 Å²	84	40.5 Å²	40.5	37%	0.365	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	146.3	175.6	-59	-59.8	177.3	-177.5	0	110.8	Q949 W950 K951 F958	Q949-K956 PolarHBondContact O-NZ 2.85Å; Q949-K956 VanDerWaalsContact O-NZ 3.16Å; W950-K956 PolarHBondContact O-NZ 2.81Å; K951-K956 PolarHBondContact O-NZ 3.23Å; K956-F958 PolarHBondContact O-N 2.77Å
957	D	92.2	Very high	91.7	Very high	97 Å²	97	37.9 Å²	37.9	52%	0.519	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	9.7	-178.6	-50.9	-53.3	0	0	0	115.3	C948 Q949 P959	C948-D957 WeakPolarHBondContact CB-OD1 3.32Å; C948-D957 PolarHBondContact O-N 3.35Å; Q949-D957 PolarHBondContact NE2-OD1 3.41Å; Q949-D957 PolarHBondContact NE2-OD2 3.22Å; D957-P959 WeakPolarHBondContact O-CD 3.34Å
958	F	95.8	Very high	91.3	Very high	16 Å²	16	42.8 Å²	42.8	7%	0.07	21%	0.211	C	C	.	.			trans	-120.4	82.1	172.8	-164.3	-92.3	0	0	0	110	A921 K955 K956 L960 Y1109 N1113 A1115	A921-F958 HydrophobicContact CB-CD2 3.96Å; A921-F958 HydrophobicContact CB-CE2 3.96Å; K955-F958 HydrophobicContact CB-CB 4.18Å; K955-F958 HydrophobicContact CD-CB 4.26Å; K955-F958 HydrophobicContact CG-CB 4.09Å; K955-F958 PolarHBondContact O-N 2.7Å; K956-F958 PolarHBondContact O-N 2.77Å; F958-L960 HydrophobicContact CD1-CB 4.19Å; F958-L960 WeakPolarHBondContact CD1-O 3.17Å; F958-L960 HydrophobicContact CE1-CB 3.83Å; F958-L960 HydrophobicContact CE1-CD2 4.19Å; F958-L960 HydrophobicContact CE1-CG 4.2Å; F958-L960 WeakPolarHBondContact CE1-O 3.33Å; F958-L960 HydrophobicContact CZ-CD2 4.38Å; F958-L960 PolarHBondContact O-N 2.68Å; F958-Y1109 HydrophobicContact CE2-CE1 4.33Å; F958-Y1109 HydrophobicContact CE2-CE2 4.47Å; F958-Y1109 AromaticContact CE2-CZ 3.91Å; F958-Y1109 HydrophobicContact CZ-CD1 4.23Å; F958-Y1109 AromaticContact CZ-CE1 3.64Å; F958-Y1109 HydrophobicContact CZ-CE1 3.64Å; F958-Y1109 HydrophobicContact CZ-CE2 4.28Å; F958-Y1109 AromaticContact CZ-CZ 3.66Å; F958-N1113 HydrophobicContact CD1-CB 4.37Å; F958-N1113 HydrophobicContact CD2-CB 4.23Å; F958-N1113 HydrophobicContact CE1-CB 3.91Å; F958-N1113 HydrophobicContact CE2-CB 3.75Å; F958-N1113 HydrophobicContact CZ-CB 3.57Å; F958-A1115 HydrophobicContact CD1-CB 3.5Å; F958-A1115 VanDerWaalsContact CD1-CB 3.5Å; F958-A1115 HydrophobicContact CE1-CB 3.57Å
959	P	95.9	Very high	91	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.			trans	-79.3	46.3	-170.1	33.7	-38.4	0	0	0	113.9	H919 L922 D957 A1086 L1087 L1088	H919-P959 HydrophobicContact CB-CG 3.96Å; H919-P959 WeakPolarHBondContact ND1-CD 3.37Å; H919-P959 VanDerWaalsContact ND1-CG 3.35Å; H919-P959 WeakPolarHBondContact ND1-CG 3.39Å; L922-P959 WeakPolarHBondContact CD2-O 3.42Å; D957-P959 WeakPolarHBondContact O-CD 3.34Å; P959-A1086 WeakPolarHBondContact CB-O 3.48Å; P959-L1087 HydrophobicContact CB-CD1 4.25Å; P959-L1087 WeakPolarHBondContact O-CA 3.44Å; P959-L1087 WeakPolarHBondContact O-CD1 3.31Å; P959-L1088 PolarHBondContact O-N 3.29Å; P959-L1088 VanDerWaalsContact O-N 3.08Å
960	L	97.5	Very high	90.9	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	130.8	175.5	168.5	63.5	0	0	0	106.9	L922 F958 L1088 I1090 L1106 Y1109 A1115	L922-L960 HydrophobicContact CD2-CB 3.94Å; L922-L960 HydrophobicContact CD2-CD1 4.37Å; F958-L960 HydrophobicContact CD1-CB 4.19Å; F958-L960 WeakPolarHBondContact CD1-O 3.17Å; F958-L960 HydrophobicContact CE1-CB 3.83Å; F958-L960 HydrophobicContact CE1-CD2 4.19Å; F958-L960 HydrophobicContact CE1-CG 4.2Å; F958-L960 WeakPolarHBondContact CE1-O 3.33Å; F958-L960 HydrophobicContact CZ-CD2 4.38Å; F958-L960 PolarHBondContact O-N 2.68Å; L960-L1088 WeakPolarHBondContact CA-O 3.35Å; L960-L1088 HydrophobicContact CD1-CB 3.72Å; L960-L1088 HydrophobicContact CD1-CD2 3.72Å; L960-L1088 HydrophobicContact CD1-CG 3.67Å; L960-I1090 HydrophobicContact CD1-CD1 4.2Å; L960-L1106 HydrophobicContact CD2-CD1 4.34Å; L960-Y1109 HydrophobicContact CD2-CD1 3.62Å; L960-Y1109 HydrophobicContact CD2-CE1 3.52Å; L960-A1115 VanDerWaalsContact O-CB 3.22Å; L960-A1115 WeakPolarHBondContact O-CB 3.49Å
961	F	97.3	Very high	90.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	156.2	165.4	67.7	-81.1	0	0	0	112.5	W950 L953 P954 H963 Y990 L1087 L1088 I1089 I1090 A1115 L1117	W950-F961 AromaticContact CZ3-CE1 3.89Å; W950-F961 HydrophobicContact CZ3-CE1 3.89Å; W950-F961 HydrophobicContact CZ3-CZ 4.1Å; L953-F961 HydrophobicContact CD1-CD1 3.76Å; L953-F961 HydrophobicContact CD1-CE1 4.14Å; P954-F961 HydrophobicContact CG-CB 3.67Å; P954-F961 HydrophobicContact CG-CD1 4.37Å; P954-F961 HydrophobicContact CG-CD2 4.01Å; P954-F961 HydrophobicContact CG-CG 3.77Å; F961-H963 HydrophobicContact CE2-CB 4.36Å; F961-Y990 HydrophobicContact CE2-CE1 4.21Å; F961-Y990 AromaticContact CE2-CZ 3.86Å; F961-Y990 WeakPolarHBondContact CE2-OH 3.47Å; F961-Y990 AromaticContact CZ-CE1 3.91Å; F961-Y990 HydrophobicContact CZ-CE1 3.91Å; F961-Y990 AromaticContact CZ-CZ 4Å; F961-L1087 HydrophobicContact CE1-CD1 4.37Å; F961-L1088 PolarHBondContact N-O 3.33Å; F961-L1088 VanDerWaalsContact N-O 3.15Å; F961-I1089 HydrophobicContact CD1-CG1 4.47Å; F961-I1089 HydrophobicContact CE1-CB 4.31Å; F961-I1089 HydrophobicContact CE1-CD1 3.98Å; F961-I1089 HydrophobicContact CE1-CG1 3.61Å; F961-I1089 HydrophobicContact CE1-CG2 4.17Å; F961-I1089 HydrophobicContact CE2-CG2 3.83Å; F961-I1089 HydrophobicContact CZ-CB 4.2Å; F961-I1089 HydrophobicContact CZ-CD1 3.87Å; F961-I1089 HydrophobicContact CZ-CG1 3.79Å; F961-I1089 HydrophobicContact CZ-CG2 3.59Å; F961-I1090 PolarHBondContact O-N 3.08Å; F961-I1090 VanDerWaalsContact O-N 3.1Å; F961-A1115 WeakPolarHBondContact CA-O 3.29Å; F961-A1115 HydrophobicContact CB-CB 4.14Å; F961-A1115 WeakPolarHBondContact CB-O 3.37Å; F961-L1117 HydrophobicContact CD2-CD1 4.34Å; F961-L1117 HydrophobicContact CE2-CD1 4.37Å
962	F	97.4	Very high	90	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	129.1	174.5	-170.6	-81.4	0	0	0	109.6	I1090 G1092 P1094 L1097 L1107 C1110 A1115 Y1116 L1117	F962-I1090 CarbonylContact C-O 3.58Å; F962-I1090 HydrophobicContact CD2-CB 3.8Å; F962-I1090 HydrophobicContact CD2-CG2 3.57Å; F962-I1090 HydrophobicContact CE2-CB 4.29Å; F962-I1090 HydrophobicContact CE2-CG2 3.57Å; F962-G1092 WeakPolarHBondContact CE1-O 3.3Å; F962-G1092 WeakPolarHBondContact CZ-O 3.48Å; F962-P1094 HydrophobicContact CE1-CB 3.9Å; F962-P1094 HydrophobicContact CE1-CG 4.4Å; F962-P1094 HydrophobicContact CZ-CB 4.39Å; F962-L1097 HydrophobicContact CE2-CD1 3.81Å; F962-L1097 HydrophobicContact CZ-CD1 3.68Å; F962-L1107 HydrophobicContact CB-CD2 4.45Å; F962-L1107 HydrophobicContact CD1-CD2 3.64Å; F962-L1107 HydrophobicContact CD2-CD2 3.73Å; F962-L1107 HydrophobicContact CE1-CD2 3.71Å; F962-L1107 HydrophobicContact CE2-CD2 3.81Å; F962-L1107 HydrophobicContact CG-CD2 3.66Å; F962-L1107 HydrophobicContact CZ-CD2 3.82Å; F962-C1110 HydrophobicContact CB-CB 4.16Å; F962-A1115 PolarHBondContact N-O 3.17Å; F962-Y1116 HydrophobicContact CB-CD2 4.27Å; F962-Y1116 AromaticContact CD1-CD2 3.87Å; F962-Y1116 HydrophobicContact CD1-CD2 3.87Å; F962-Y1116 AromaticContact CD1-CE2 3.66Å; F962-Y1116 HydrophobicContact CD1-CE2 3.66Å; F962-Y1116 HydrophobicContact CE1-CE2 4.2Å; F962-Y1116 HydrophobicContact CG-CD2 4.47Å; F962-Y1116 CarbonylContact O-C 3.54Å; F962-Y1116 WeakPolarHBondContact O-CA 3.37Å; F962-L1117 PolarHBondContact O-N 3.48Å
963	H	95.9	Very high	89.4	Confident	14 Å²	14	34.6 Å²	34.6	7%	0.065	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	106.2	175	-172.1	104.2	0	0	0	109.2	F961 V965 Y990 I1090 V1091 G1092 L1117	F961-H963 HydrophobicContact CE2-CB 4.36Å; H963-V965 PolarHBondContact O-N 3.29Å; H963-Y990 HydrophobicContact CB-CE2 4.37Å; H963-Y990 PolarHBondContact CE1-OH 3.44Å; H963-Y990 AromaticContact ND1-CZ 3.91Å; H963-Y990 PolarHBondContact ND1-OH 3.37Å; H963-I1090 PolarHBondContact N-O 2.85Å; H963-V1091 WeakPolarHBondContact O-CA 3.26Å; H963-G1092 PolarHBondContact O-N 2.64Å; H963-L1117 CarbonylContact C-O 3.6Å; H963-L1117 WeakPolarHBondContact CA-O 3.23Å
964	G	94.3	Very high	88.1	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	122.4	178.7	0	0	0	0	0	112.5	G1092 L1117 G1118 C1119	G964-G1092 CarbonylContact C-O 3.31Å; G964-G1092 WeakPolarHBondContact CA-O 3.27Å; G964-L1117 PolarHBondContact N-O 2.79Å; G964-G1118 WeakPolarHBondContact O-CA 3.11Å; G964-C1119 VanDerWaalsContact C-SG 3.56Å; G964-C1119 PolarHBondContact O-N 2.97Å
965	V	90.8	Very high	87	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.			trans	-128.1	119.8	175.1	-176.6	0	0	0	0	108.8	H963 V982 E983 Q986 V1091 G1092 D1093	H963-V965 PolarHBondContact O-N 3.29Å; V965-V982 HydrophobicContact CG1-CB 3.94Å; V965-V982 HydrophobicContact CG1-CG1 3.4Å; V965-V982 VanDerWaalsContact CG1-CG1 3.4Å; V965-E983 HydrophobicContact CB-CG 4.27Å; V965-E983 HydrophobicContact CG1-CG 4.29Å; V965-Q986 HydrophobicContact CG2-CG 4.41Å; V965-V1091 HydrophobicContact CG2-CG1 3.61Å; V965-G1092 PolarHBondContact N-O 3.19Å; V965-G1092 CarbonylContact O-C 3.6Å; V965-D1093 VanDerWaalsContact O-CA 3.26Å; V965-D1093 WeakPolarHBondContact O-CA 3.42Å; V965-D1093 WeakPolarHBondContact O-CB 3.26Å; V965-D1093 PolarHBondContact O-N 2.89Å
966	R	87.3	Confident	85.9	Confident	40 Å²	40	37 Å²	37	15%	0.151	20%	0.195	C	C	.	.			trans	-97.2	85.7	168.8	-70.3	174	73.5	-162.3	-6.6	108.8	C397 T399 E1057 C1119 D1120	C397-R966 HydrophobicContact CB-CB 3.81Å; C397-R966 WeakPolarHBondContact CB-O 3.47Å; C397-R966 PolarHBondContact N-O 2.75Å; T399-R966 PolarHBondContact OG1-NH1 3.01Å; T399-R966 VanDerWaalsContact OG1-NH1 3.08Å; R966-E1057 IonicContact CZ-OE1 2.66Å; R966-E1057 IonicContact NE-OE1 3.33Å; R966-E1057 PolarHBondContact NE-OE1 3.17Å; R966-E1057 IonicContact NH2-OE1 3.63Å; R966-E1057 PolarHBondContact NH2-OE1 3.44Å; R966-E1057 IonicContact NH2-OE2 2.6Å; R966-E1057 PolarHBondContact NH2-OE2 3.04Å; R966-C1119 HydrophobicContact CG-CB 4.23Å; R966-D1120 IonicContact NH1-OD1 3.46Å; R966-D1120 PolarHBondContact NH1-OD1 3.1Å
967	G	83.9	Confident	85.3	Confident	9 Å²	9	33.4 Å²	33.4	9%	0.093	18%	0.18	C	C	.	.			trans	-104.7	175.6	177.4	0	0	0	0	0	112.1	S1055	G967-S1055 WeakPolarHBondContact O-CB 3.17Å; G967-S1055 PolarHBondContact O-OG 3.28Å
968	T	83.7	Confident	85	Confident	110 Å²	110	31 Å²	31	68%	0.675	16%	0.164	S	C	*	.			trans	-101.3	121.2	174.9	-53.5	0	0	0	0	110
969	E	85.2	Confident	84.7	Confident	28 Å²	28	30.3 Å²	30.3	13%	0.131	16%	0.161	C	C	.	.			trans	-73.3	139.5	173.7	63.8	-174.2	-143.2	0	0	111.8	W978 R1054 S1055	E969-W978 HydrophobicContact CB-CE3 4.01Å; E969-W978 HydrophobicContact CB-CZ3 4.45Å; E969-W978 HydrophobicContact CG-CE3 3.83Å; E969-W978 HydrophobicContact CG-CZ3 3.84Å; E969-R1054 VanDerWaalsContact CD-NE 3.27Å; E969-R1054 IonicContact OE1-CZ 3.23Å; E969-R1054 VanDerWaalsContact OE1-CZ 3.26Å; E969-R1054 IonicContact OE1-NE 2.74Å; E969-R1054 PolarHBondContact OE1-NE 3.3Å; E969-R1054 VanDerWaalsContact OE1-NE 3.12Å; E969-R1054 IonicContact OE1-NH2 3.92Å; E969-R1054 PolarHBondContact OE1-NH2 2.88Å; E969-R1054 WeakPolarHBondContact OE2-CA 3.48Å; E969-R1054 VanDerWaalsContact OE2-CD 3.3Å; E969-R1054 WeakPolarHBondContact OE2-CD 3.43Å; E969-R1054 IonicContact OE2-CZ 2.74Å; E969-R1054 IonicContact OE2-NE 2.83Å; E969-R1054 PolarHBondContact OE2-NE 3.34Å; E969-R1054 IonicContact OE2-NH2 3.13Å; E969-S1055 PolarHBondContact OE2-N 3.21Å
970	M	86.4	Confident	84.5	Confident	61 Å²	61	30.3 Å²	30.3	30%	0.3	16%	0.161	S	C	.	.	B	Isolated β-bridge	trans	-131.5	161.5	-174.1	-55.2	-173.9	93.5	0	0	112	P429 W978 F979 P981	P429-M970 VanDerWaalsContact CD-CE 3.43Å; P429-M970 HydrophobicContact CG-CE 3.71Å; M970-W978 WeakPolarHBondContact O-CA 3.45Å; M970-F979 HydrophobicContact CB-CD1 4.37Å; M970-F979 HydrophobicContact CB-CD2 4.37Å; M970-F979 HydrophobicContact CB-CE1 3.87Å; M970-F979 HydrophobicContact CB-CE2 3.86Å; M970-F979 HydrophobicContact CB-CZ 3.6Å; M970-F979 HydrophobicContact CG-CE2 4.49Å; M970-F979 PolarHBondContact N-O 3.4Å; M970-F979 WeakPolarHBondContact O-CD1 3.43Å; M970-F979 PolarHBondContact O-N 3.42Å; M970-F979 HydrophobicContact SD-CE2 4.23Å; M970-F979 HydrophobicContact SD-CZ 4.41Å; M970-P981 HydrophobicContact SD-CG 3.83Å
971	R	82.1	Confident	84.3	Confident	82 Å²	82	30.5 Å²	30.5	31%	0.309	16%	0.163	S	C	.	.			trans	-135.2	156	170.4	-74.8	-178.1	-75.1	-176.4	-2.9	109.5	Y433 W978	Y433-R971 HydrophobicContact CD2-CB 4.03Å; Y433-R971 HydrophobicContact CG-CB 3.92Å; R971-W978 HydrophobicContact CG-CD2 3.75Å; R971-W978 HydrophobicContact CG-CE3 3.63Å; R971-W978 HydrophobicContact CG-CG 4.29Å; R971-W978 HydrophobicContact CG-CH2 4.45Å; R971-W978 HydrophobicContact CG-CZ3 3.99Å
972	E	76.2	Confident	83.9	Confident	19 Å²	19	31 Å²	31	9%	0.089	17%	0.166	C	C	.	.			trans	-132.1	140.8	-178.7	64.4	-178	-164.3	0	0	112.3	P429 E431 N974 N975 F979 K1015 K1019	P429-E972 HydrophobicContact CB-CB 3.92Å; E431-E972 WeakPolarHBondContact O-CA 3.39Å; E972-N974 PolarHBondContact O-N 2.92Å; E972-N975 WeakPolarHBondContact O-CB 3.27Å; E972-N975 PolarHBondContact O-N 3.32Å; E972-F979 HydrophobicContact CB-CE1 4.28Å; E972-F979 HydrophobicContact CG-CE1 4.26Å; E972-K1015 HydrophobicContact CG-CD 4.4Å; E972-K1015 VanDerWaalsContact OE1-CD 3.25Å; E972-K1015 WeakPolarHBondContact OE1-CD 3.41Å; E972-K1015 VanDerWaalsContact OE1-CE 3.23Å; E972-K1015 WeakPolarHBondContact OE1-CE 3.31Å; E972-K1015 IonicContact OE1-NZ 2.71Å; E972-K1015 PolarHBondContact OE1-NZ 2.93Å; E972-K1019 IonicContact OE1-NZ 2.69Å; E972-K1019 WeakPolarHBondContact OE2-CE 3.43Å; E972-K1019 IonicContact OE2-NZ 2.75Å; E972-K1019 PolarHBondContact OE2-NZ 3.19Å
973	G	72.1	Confident	83.8	Confident	16 Å²	16	31 Å²	31	17%	0.165	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	-127.2	174.1	0	0	0	0	0	114	E431 Y433 C434	E431-G973 PolarHBondContact O-N 3.06Å; Y433-G973 CarbonylContact C-O 3.52Å; Y433-G973 WeakPolarHBondContact CA-O 3.42Å; Y433-G973 WeakPolarHBondContact CD2-O 3.35Å; C434-G973 PolarHBondContact N-O 2.98Å
974	N	64.1	Low	83.8	Confident	112 Å²	112	30.4 Å²	30.4	60%	0.599	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	7.3	175.2	64.8	0.4	0	0	0	113.3	C434 E972 P976	C434-N974 WeakPolarHBondContact O-CA 3.14Å; E972-N974 PolarHBondContact O-N 2.92Å; N974-P976 WeakPolarHBondContact O-CD 2.99Å
975	N	65.4	Low	83.8	Confident	9 Å²	9	30.4 Å²	30.4	5%	0.048	16%	0.163	C	C	.	.			trans	-84.3	119.6	-171.9	-162.6	-36.2	0	0	0	111.2	Y433 E549 R551 E972 S977 K1015	Y433-N975 WeakPolarHBondContact CD2-O 3.27Å; Y433-N975 VanDerWaalsContact CE2-O 3.3Å; Y433-N975 WeakPolarHBondContact CE2-O 3.45Å; E549-N975 PolarHBondContact OE2-ND2 3.19Å; R551-N975 VanDerWaalsContact NH1-CG 3.29Å; R551-N975 PolarHBondContact NH1-ND2 2.85Å; R551-N975 PolarHBondContact NH1-OD1 3.32Å; E972-N975 WeakPolarHBondContact O-CB 3.27Å; E972-N975 PolarHBondContact O-N 3.32Å; N975-S977 PolarHBondContact O-N 3.04Å; N975-S977 WeakPolarHBondContact OD1-CB 3.17Å; N975-S977 PolarHBondContact OD1-N 3.08Å; N975-K1015 WeakPolarHBondContact ND2-CE 3.49Å
976	P	70.1	Confident	84	Confident	74 Å²	74	31.2 Å²	31.2	48%	0.481	17%	0.167	S	C	.	.			trans	-73.5	-7	-179.8	30.9	-36.8	0	0	0	113.5	N974	N974-P976 WeakPolarHBondContact O-CD 2.99Å
977	S	78.7	Confident	84.4	Confident	10 Å²	10	29.3 Å²	29.3	7%	0.07	16%	0.16	C	C	.	.			trans	-76.1	132.2	-178	-175.6	0	0	0	0	111.9	N975 R1014 K1015	N975-S977 PolarHBondContact O-N 3.04Å; N975-S977 WeakPolarHBondContact OD1-CB 3.17Å; N975-S977 PolarHBondContact OD1-N 3.08Å; S977-R1014 PolarHBondContact OG-N 2.9Å; S977-K1015 PolarHBondContact OG-N 2.62Å; S977-K1015 VanDerWaalsContact OG-N 3.11Å
978	W	84.8	Confident	85	Confident	47 Å²	47	29 Å²	29	18%	0.178	16%	0.156	C	C	.	.			trans	-80.6	156.5	176.2	-61.6	90.7	0	0	0	112.4	E969 M970 R971 Y1013 V1053	E969-W978 HydrophobicContact CB-CE3 4.01Å; E969-W978 HydrophobicContact CB-CZ3 4.45Å; E969-W978 HydrophobicContact CG-CE3 3.83Å; E969-W978 HydrophobicContact CG-CZ3 3.84Å; M970-W978 WeakPolarHBondContact O-CA 3.45Å; R971-W978 HydrophobicContact CG-CD2 3.75Å; R971-W978 HydrophobicContact CG-CE3 3.63Å; R971-W978 HydrophobicContact CG-CG 4.29Å; R971-W978 HydrophobicContact CG-CH2 4.45Å; R971-W978 HydrophobicContact CG-CZ3 3.99Å; W978-Y1013 HydrophobicContact CB-CD1 3.99Å; W978-Y1013 HydrophobicContact CB-CD2 4.37Å; W978-Y1013 HydrophobicContact CB-CE1 4.14Å; W978-Y1013 HydrophobicContact CB-CG 4.13Å; W978-Y1013 AromaticContact CD1-CE1 3.67Å; W978-Y1013 HydrophobicContact CG-CD1 4.5Å; W978-Y1013 HydrophobicContact CG-CE1 4.28Å; W978-Y1013 WeakPolarHBondContact O-CB 3.38Å; W978-V1053 HydrophobicContact CB-CG1 4.13Å
979	F	90	Very high	85.4	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-147.9	157.3	166.8	67.9	-86	0	0	0	110.3	L427 P429 M970 E972 P981 K1015 Q1016 K1019	L427-F979 VanDerWaalsContact O-CE2 3.25Å; L427-F979 WeakPolarHBondContact O-CE2 3.06Å; P429-F979 HydrophobicContact CB-CZ 4.36Å; M970-F979 HydrophobicContact CB-CD1 4.37Å; M970-F979 HydrophobicContact CB-CD2 4.37Å; M970-F979 HydrophobicContact CB-CE1 3.87Å; M970-F979 HydrophobicContact CB-CE2 3.86Å; M970-F979 HydrophobicContact CB-CZ 3.6Å; M970-F979 HydrophobicContact CG-CE2 4.49Å; M970-F979 PolarHBondContact N-O 3.4Å; M970-F979 WeakPolarHBondContact O-CD1 3.43Å; M970-F979 PolarHBondContact O-N 3.42Å; M970-F979 HydrophobicContact SD-CE2 4.23Å; M970-F979 HydrophobicContact SD-CZ 4.41Å; E972-F979 HydrophobicContact CB-CE1 4.28Å; E972-F979 HydrophobicContact CG-CE1 4.26Å; F979-P981 HydrophobicContact CD2-CG 4.09Å; F979-P981 HydrophobicContact CE2-CG 3.89Å; F979-K1015 HydrophobicContact CB-CB 4.28Å; F979-K1015 HydrophobicContact CD1-CB 4.33Å; F979-Q1016 HydrophobicContact CB-CB 4.41Å; F979-K1019 HydrophobicContact CB-CG 4.28Å; F979-K1019 HydrophobicContact CD2-CG 3.98Å; F979-K1019 HydrophobicContact CG-CG 4.15Å
980	N	92.3	Very high	85.9	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.133	C	C	.	.			trans	-130.3	106.5	179.4	-174.9	-37.9	0	0	0	108.3	V982 E983 A984 Q1016 V1053 S1055	N980-V982 VanDerWaalsContact C-N 3.32Å; N980-V982 PolarHBondContact O-N 2.8Å; N980-V982 PolarHBondContact OD1-N 3.38Å; N980-V982 VanDerWaalsContact OD1-N 3.14Å; N980-E983 HydrophobicContact CB-CB 4.16Å; N980-E983 HydrophobicContact CB-CG 4.18Å; N980-E983 PolarHBondContact O-N 3.47Å; N980-E983 PolarHBondContact OD1-N 3.42Å; N980-A984 PolarHBondContact O-N 2.94Å; N980-A984 VanDerWaalsContact O-N 3.08Å; N980-Q1016 PolarHBondContact O-NE2 3.04Å; N980-Q1016 VanDerWaalsContact O-NE2 3.17Å; N980-Q1016 PolarHBondContact O-OE1 3.41Å; N980-V1053 HydrophobicContact CB-CG1 3.99Å; N980-V1053 WeakPolarHBondContact CB-O 3.21Å; N980-V1053 PolarHBondContact ND2-O 2.9Å; N980-S1055 PolarHBondContact ND2-OG 3.05Å
981	P	91.8	Very high	86.3	Confident	10 Å²	10	22.6 Å²	22.6	7%	0.065	12%	0.118	C	C	.	.	H	α-helix	trans	-57.1	-41.7	-178.2	-27.7	35.9	0	0	0	113.7	E424 L427 M970 F979 A984 V985	E424-P981 HydrophobicContact CB-CB 4.37Å; E424-P981 HydrophobicContact CG-CB 4.27Å; L427-P981 HydrophobicContact CB-CB 4.1Å; L427-P981 HydrophobicContact CB-CG 4.35Å; L427-P981 HydrophobicContact CD1-CB 4.19Å; M970-P981 HydrophobicContact SD-CG 3.83Å; F979-P981 HydrophobicContact CD2-CG 4.09Å; F979-P981 HydrophobicContact CE2-CG 3.89Å; P981-A984 WeakPolarHBondContact O-CB 3.39Å; P981-A984 PolarHBondContact O-N 2.84Å; P981-V985 WeakPolarHBondContact O-CG2 3.25Å; P981-V985 PolarHBondContact O-N 2.91Å
982	V	90.6	Very high	86.7	Confident	11 Å²	11	19.5 Å²	19.5	7%	0.067	11%	0.109	C	C	.	.	H	α-helix	trans	-64.9	-46.9	-176.3	-170.5	0	0	0	0	110.4	L395 V965 N980 A984 V985 Q986	L395-V982 HydrophobicContact CB-CG1 3.76Å; V965-V982 HydrophobicContact CG1-CB 3.94Å; V965-V982 HydrophobicContact CG1-CG1 3.4Å; V965-V982 VanDerWaalsContact CG1-CG1 3.4Å; N980-V982 VanDerWaalsContact C-N 3.32Å; N980-V982 PolarHBondContact O-N 2.8Å; N980-V982 PolarHBondContact OD1-N 3.38Å; N980-V982 VanDerWaalsContact OD1-N 3.14Å; V982-A984 VanDerWaalsContact C-N 3.33Å; V982-A984 PolarHBondContact O-N 3.43Å; V982-V985 PolarHBondContact O-N 3.09Å; V982-Q986 PolarHBondContact O-N 3.5Å
983	E	94.9	Very high	87.4	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.5	-42.2	173.5	-72.4	-166.3	-154.3	0	0	111.9	V965 N980 V985 Q986 V987 S1051 T1052 V1053 V1091	V965-E983 HydrophobicContact CB-CG 4.27Å; V965-E983 HydrophobicContact CG1-CG 4.29Å; N980-E983 HydrophobicContact CB-CB 4.16Å; N980-E983 HydrophobicContact CB-CG 4.18Å; N980-E983 PolarHBondContact O-N 3.47Å; N980-E983 PolarHBondContact OD1-N 3.42Å; E983-V985 VanDerWaalsContact C-N 3.35Å; E983-V985 PolarHBondContact O-N 3.1Å; E983-Q986 PolarHBondContact O-N 2.93Å; E983-V987 VanDerWaalsContact O-CG2 3.27Å; E983-V987 WeakPolarHBondContact O-CG2 3.08Å; E983-V987 PolarHBondContact O-N 2.75Å; E983-S1051 PolarHBondContact OE2-OG 2.91Å; E983-T1052 PolarHBondContact OE1-OG1 3.41Å; E983-T1052 PolarHBondContact OE2-N 3.39Å; E983-V1053 WeakPolarHBondContact OE1-CA 3.26Å; E983-V1053 PolarHBondContact OE1-N 2.97Å; E983-V1053 WeakPolarHBondContact OE2-CA 3.36Å; E983-V1053 PolarHBondContact OE2-N 2.89Å; E983-V1091 HydrophobicContact CB-CG1 4.18Å; E983-V1091 HydrophobicContact CG-CG1 4.1Å
984	A	95.6	Very high	88.3	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.8	-41.4	-178.6	0	0	0	0	0	111.9	L427 N980 P981 V982 V987 M988 I1020 L1023	L427-A984 HydrophobicContact CD1-CB 3.81Å; N980-A984 PolarHBondContact O-N 2.94Å; N980-A984 VanDerWaalsContact O-N 3.08Å; P981-A984 WeakPolarHBondContact O-CB 3.39Å; P981-A984 PolarHBondContact O-N 2.84Å; V982-A984 VanDerWaalsContact C-N 3.33Å; V982-A984 PolarHBondContact O-N 3.43Å; A984-V987 PolarHBondContact O-N 3.12Å; A984-M988 PolarHBondContact O-N 3.17Å; A984-I1020 HydrophobicContact CB-CG1 3.83Å; A984-L1023 HydrophobicContact CB-CD1 4.01Å; A984-L1023 WeakPolarHBondContact O-CD1 3.38Å
985	V	93.7	Very high	89.5	Confident	1 Å²	1	15.5 Å²	15.5	1%	0.006	8%	0.084	C	C	.	.	H	α-helix	trans	-64.8	-45.6	174.4	174.7	0	0	0	0	110.5	L395 D423 E424 P981 V982 E983 V987 M988 L989 L1023	L395-V985 HydrophobicContact CD1-CB 4.24Å; L395-V985 HydrophobicContact CD1-CG1 3.67Å; D423-V985 HydrophobicContact CB-CG1 4.41Å; D423-V985 HydrophobicContact CB-CG2 3.92Å; E424-V985 HydrophobicContact CG-CG2 3.85Å; P981-V985 WeakPolarHBondContact O-CG2 3.25Å; P981-V985 PolarHBondContact O-N 2.91Å; V982-V985 PolarHBondContact O-N 3.09Å; E983-V985 VanDerWaalsContact C-N 3.35Å; E983-V985 PolarHBondContact O-N 3.1Å; V985-V987 VanDerWaalsContact C-N 3.31Å; V985-V987 PolarHBondContact O-N 2.84Å; V985-M988 HydrophobicContact CG1-CE 4.29Å; V985-M988 WeakPolarHBondContact O-CB 3.42Å; V985-M988 PolarHBondContact O-N 3.41Å; V985-M988 VanDerWaalsContact O-N 3.1Å; V985-L989 HydrophobicContact CG1-CD1 4.43Å; V985-L989 HydrophobicContact CG1-CG 4.47Å; V985-L989 WeakPolarHBondContact O-CG 3.34Å; V985-L989 PolarHBondContact O-N 2.88Å; V985-L1023 HydrophobicContact CG2-CD1 3.94Å
986	Q	94.9	Very high	90.4	Very high	16 Å²	16	18.6 Å²	18.6	8%	0.075	10%	0.097	C	C	.	.	H	α-helix	trans	-60.9	-39.8	178.4	-174.4	56.1	52.9	0	0	112.4	V965 V982 E983 L989 Y990 V1091	V965-Q986 HydrophobicContact CG2-CG 4.41Å; V982-Q986 PolarHBondContact O-N 3.5Å; E983-Q986 PolarHBondContact O-N 2.93Å; Q986-L989 PolarHBondContact O-N 2.82Å; Q986-Y990 HydrophobicContact CG-CD2 4.25Å; Q986-Y990 HydrophobicContact CG-CE2 3.82Å; Q986-Y990 VanDerWaalsContact O-CD2 3.27Å; Q986-Y990 WeakPolarHBondContact O-CD2 3.46Å; Q986-Y990 PolarHBondContact O-N 2.87Å; Q986-Y990 VanDerWaalsContact O-N 3.14Å; Q986-V1091 HydrophobicContact CB-CG1 4.07Å; Q986-V1091 HydrophobicContact CG-CG1 3.96Å; Q986-V1091 HydrophobicContact CG-CG2 4.42Å
987	V	96.9	Very high	89.9	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.4	-45	173	168.4	0	0	0	0	111.5	E983 A984 V985 L989 Y990 C991 I1009 I1020 I1049 V1091	E983-V987 VanDerWaalsContact O-CG2 3.27Å; E983-V987 WeakPolarHBondContact O-CG2 3.08Å; E983-V987 PolarHBondContact O-N 2.75Å; A984-V987 PolarHBondContact O-N 3.12Å; V985-V987 VanDerWaalsContact C-N 3.31Å; V985-V987 PolarHBondContact O-N 2.84Å; V987-L989 VanDerWaalsContact C-N 3.31Å; V987-L989 PolarHBondContact O-N 2.82Å; V987-Y990 PolarHBondContact O-N 3.26Å; V987-C991 PolarHBondContact O-N 2.95Å; V987-C991 PolarHBondContact O-SG 3.21Å; V987-I1009 HydrophobicContact CG1-CD1 3.71Å; V987-I1009 HydrophobicContact CG1-CG1 4.36Å; V987-I1009 HydrophobicContact CG1-CG2 3.89Å; V987-I1020 HydrophobicContact CG1-CD1 4.26Å; V987-I1020 HydrophobicContact CG1-CG2 4.16Å; V987-I1049 HydrophobicContact CB-CG2 4.43Å; V987-I1049 HydrophobicContact CG1-CG2 4.08Å; V987-I1049 HydrophobicContact CG2-CG2 3.89Å; V987-V1091 HydrophobicContact CG2-CB 4.27Å; V987-V1091 HydrophobicContact CG2-CG2 4.08Å
988	M	95.5	Very high	89	Confident	4 Å²	4	31.4 Å²	31.4	2%	0.02	15%	0.151	C	C	.	.	H	α-helix	trans	-60.1	-40.7	176	179.1	-156	65.4	0	0	111.6	A984 V985 C991 C992 L1023 V1027	A984-M988 PolarHBondContact O-N 3.17Å; V985-M988 HydrophobicContact CG1-CE 4.29Å; V985-M988 WeakPolarHBondContact O-CB 3.42Å; V985-M988 PolarHBondContact O-N 3.41Å; V985-M988 VanDerWaalsContact O-N 3.1Å; M988-C991 WeakPolarHBondContact O-CB 3.15Å; M988-C991 PolarHBondContact O-N 3.17Å; M988-C992 PolarHBondContact O-N 3.38Å; M988-C992 PolarHBondContact O-SG 3.34Å; M988-C992 VanDerWaalsContact O-SG 3.33Å; M988-L1023 HydrophobicContact CB-CB 4.18Å; M988-L1023 HydrophobicContact CB-CD1 4.14Å; M988-L1023 HydrophobicContact CG-CB 4.1Å; M988-L1023 HydrophobicContact SD-CB 3.85Å; M988-L1023 HydrophobicContact SD-CD1 4.36Å; M988-L1023 HydrophobicContact SD-CD2 4.32Å; M988-L1023 HydrophobicContact SD-CG 4.41Å; M988-V1027 HydrophobicContact CG-CG1 4.3Å; M988-V1027 HydrophobicContact CG-CG2 4.09Å; M988-V1027 HydrophobicContact SD-CG1 3.74Å
989	L	92.7	Very high	87.9	Confident	52 Å²	52	36.7 Å²	36.7	27%	0.272	17%	0.172	S	C	.	.	H	α-helix	trans	-61.3	-44.3	177.3	-68.7	177	0	0	0	111.6	L395 V985 Q986 V987 C992 Q993	L395-L989 HydrophobicContact CD1-CD1 3.87Å; V985-L989 HydrophobicContact CG1-CD1 4.43Å; V985-L989 HydrophobicContact CG1-CG 4.47Å; V985-L989 WeakPolarHBondContact O-CG 3.34Å; V985-L989 PolarHBondContact O-N 2.88Å; Q986-L989 PolarHBondContact O-N 2.82Å; V987-L989 VanDerWaalsContact C-N 3.31Å; V987-L989 PolarHBondContact O-N 2.82Å; L989-C992 WeakPolarHBondContact O-CB 3.43Å; L989-C992 PolarHBondContact O-N 3.31Å; L989-Q993 WeakPolarHBondContact O-CG 2.99Å; L989-Q993 PolarHBondContact O-N 3.2Å
990	Y	94.8	Very high	86.5	Confident	11 Å²	11	40.8 Å²	40.8	4%	0.043	19%	0.194	C	C	.	.	H	α-helix	trans	-63.5	-41	174.7	-74.9	-54.8	0	0	0	112.7	W950 F961 H963 Q986 V987 C992 Q993 L994 I1089 V1091	W950-Y990 AromaticContact CH2-CD1 3.99Å; W950-Y990 HydrophobicContact CH2-CD1 3.99Å; W950-Y990 HydrophobicContact CH2-CE1 4.36Å; F961-Y990 HydrophobicContact CE2-CE1 4.21Å; F961-Y990 AromaticContact CE2-CZ 3.86Å; F961-Y990 WeakPolarHBondContact CE2-OH 3.47Å; F961-Y990 AromaticContact CZ-CE1 3.91Å; F961-Y990 HydrophobicContact CZ-CE1 3.91Å; F961-Y990 AromaticContact CZ-CZ 4Å; H963-Y990 HydrophobicContact CB-CE2 4.37Å; H963-Y990 PolarHBondContact CE1-OH 3.44Å; H963-Y990 AromaticContact ND1-CZ 3.91Å; H963-Y990 PolarHBondContact ND1-OH 3.37Å; Q986-Y990 HydrophobicContact CG-CD2 4.25Å; Q986-Y990 HydrophobicContact CG-CE2 3.82Å; Q986-Y990 VanDerWaalsContact O-CD2 3.27Å; Q986-Y990 WeakPolarHBondContact O-CD2 3.46Å; Q986-Y990 PolarHBondContact O-N 2.87Å; Q986-Y990 VanDerWaalsContact O-N 3.14Å; V987-Y990 PolarHBondContact O-N 3.26Å; Y990-C992 VanDerWaalsContact C-N 3.28Å; Y990-C992 PolarHBondContact O-N 2.95Å; Y990-Q993 PolarHBondContact O-N 3.28Å; Y990-L994 WeakPolarHBondContact O-CG 3.36Å; Y990-L994 PolarHBondContact O-N 3.01Å; Y990-I1089 HydrophobicContact CD1-CD1 4.13Å; Y990-I1089 HydrophobicContact CD2-CG2 3.92Å; Y990-I1089 HydrophobicContact CE2-CG2 3.87Å; Y990-I1089 HydrophobicContact CG-CD1 4.12Å; Y990-I1089 HydrophobicContact CG-CG2 4.39Å; Y990-V1091 HydrophobicContact CD2-CG2 4.18Å; Y990-V1091 HydrophobicContact CE2-CG2 4.06Å
991	C	94.9	Very high	85.6	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.6	-41.3	174.3	-65.5	0	0	0	0	111.5	V987 M988 Q993 L994 A995 I1009 L1024 L1029 I1032	V987-C991 PolarHBondContact O-N 2.95Å; V987-C991 PolarHBondContact O-SG 3.21Å; M988-C991 WeakPolarHBondContact O-CB 3.15Å; M988-C991 PolarHBondContact O-N 3.17Å; C991-Q993 PolarHBondContact O-N 3.46Å; C991-L994 PolarHBondContact O-N 3.07Å; C991-A995 WeakPolarHBondContact O-CB 2.97Å; C991-A995 PolarHBondContact O-N 2.9Å; C991-I1009 VanDerWaalsContact SG-CD1 3.53Å; C991-L1024 HydrophobicContact CB-CD2 3.75Å; C991-L1029 HydrophobicContact CB-CD1 4.01Å; C991-I1032 HydrophobicContact CB-CD1 3.83Å
992	C	91.6	Very high	85.4	Confident	18 Å²	18	43.3 Å²	43.3	12%	0.122	21%	0.21	C	C	.	.	H	α-helix	trans	-62.1	-42.9	175.5	-71.9	0	0	0	0	112.1	M988 L989 Y990 L994 K996	M988-C992 PolarHBondContact O-N 3.38Å; M988-C992 PolarHBondContact O-SG 3.34Å; M988-C992 VanDerWaalsContact O-SG 3.33Å; L989-C992 WeakPolarHBondContact O-CB 3.43Å; L989-C992 PolarHBondContact O-N 3.31Å; Y990-C992 VanDerWaalsContact C-N 3.28Å; Y990-C992 PolarHBondContact O-N 2.95Å; C992-L994 VanDerWaalsContact C-N 3.29Å; C992-L994 PolarHBondContact O-N 2.69Å; C992-K996 HydrophobicContact CB-CD 4.04Å; C992-K996 HydrophobicContact CB-CG 4.44Å; C992-K996 VanDerWaalsContact O-CB 3.29Å; C992-K996 WeakPolarHBondContact O-CB 3.34Å; C992-K996 PolarHBondContact O-N 2.87Å; C992-K996 VanDerWaalsContact O-N 3.11Å; C992-K996 VanDerWaalsContact SG-CE 3.58Å
993	Q	90.1	Very high	85.5	Confident	53 Å²	53	48.2 Å²	48.2	25%	0.248	23%	0.232	C	C	.	.	H	α-helix	trans	-66.5	-30	178.3	-67.7	171.5	5.1	0	0	113	W950 N952 L989 Y990 C991 Y999	W950-Q993 HydrophobicContact CZ2-CB 4.06Å; N952-Q993 PolarHBondContact ND2-OE1 2.99Å; L989-Q993 WeakPolarHBondContact O-CG 2.99Å; L989-Q993 PolarHBondContact O-N 3.2Å; Y990-Q993 PolarHBondContact O-N 3.28Å; C991-Q993 PolarHBondContact O-N 3.46Å; Q993-Y999 WeakPolarHBondContact O-CB 3.3Å
994	L	91.6	Very high	85.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-88.9	-32.2	-178.1	-70.3	166.6	0	0	0	113.8	W950 Y990 C991 C992 P1001 V1002 I1007 V1047 I1049 L1087 I1089	W950-L994 HydrophobicContact CD2-CD2 4.25Å; W950-L994 HydrophobicContact CH2-CD2 4.23Å; W950-L994 HydrophobicContact CH2-CG 4.42Å; W950-L994 HydrophobicContact CZ2-CD2 3.69Å; W950-L994 HydrophobicContact CZ2-CG 3.96Å; Y990-L994 WeakPolarHBondContact O-CG 3.36Å; Y990-L994 PolarHBondContact O-N 3.01Å; C991-L994 PolarHBondContact O-N 3.07Å; C992-L994 VanDerWaalsContact C-N 3.29Å; C992-L994 PolarHBondContact O-N 2.69Å; L994-P1001 HydrophobicContact CD2-CG 4.27Å; L994-P1001 WeakPolarHBondContact O-CD 3.27Å; L994-P1001 VanDerWaalsContact O-CG 3.3Å; L994-P1001 WeakPolarHBondContact O-CG 3.49Å; L994-V1002 HydrophobicContact CD2-CG2 4.44Å; L994-V1002 PolarHBondContact O-N 3.24Å; L994-V1002 VanDerWaalsContact O-N 3.16Å; L994-I1007 HydrophobicContact CB-CD1 3.81Å; L994-V1047 HydrophobicContact CD1-CG1 3.87Å; L994-I1049 HydrophobicContact CD1-CD1 4.33Å; L994-L1087 HydrophobicContact CD2-CD2 4.26Å; L994-I1089 HydrophobicContact CD1-CD1 4.21Å
995	A	89.5	Confident	85.1	Confident	9 Å²	9	51.4 Å²	51.4	7%	0.074	25%	0.254	C	S	.	.	H	α-helix	trans	-115.2	-20.3	-168.7	0	0	0	0	0	115.1	C991 N1000 P1004 I1007 L1029	C991-A995 WeakPolarHBondContact O-CB 2.97Å; C991-A995 PolarHBondContact O-N 2.9Å; A995-N1000 PolarHBondContact O-OD1 2.96Å; A995-P1004 HydrophobicContact CB-CG 4.34Å; A995-I1007 HydrophobicContact CB-CD1 4Å; A995-L1029 HydrophobicContact CB-CD1 4.29Å; A995-L1029 HydrophobicContact CB-CD2 3.67Å
996	K	83.4	Confident	85.1	Confident	74 Å²	74	54 Å²	54	32%	0.322	27%	0.268	S	S	.	.	S	Bend	trans	-78.9	143.5	-177.8	-72.8	-173.1	171.5	177.3	0	112	C992 L998 Y999 N1000 V1027	C992-K996 HydrophobicContact CB-CD 4.04Å; C992-K996 HydrophobicContact CB-CG 4.44Å; C992-K996 VanDerWaalsContact O-CB 3.29Å; C992-K996 WeakPolarHBondContact O-CB 3.34Å; C992-K996 PolarHBondContact O-N 2.87Å; C992-K996 VanDerWaalsContact O-N 3.11Å; C992-K996 VanDerWaalsContact SG-CE 3.58Å; K996-L998 PolarHBondContact O-N 2.88Å; K996-Y999 PolarHBondContact O-N 3.13Å; K996-N1000 PolarHBondContact O-N 2.61Å; K996-V1027 WeakPolarHBondContact CE-O 3.43Å
997	K	60.1	Low	85.2	Confident	200 Å²	200	53.2 Å²	53.2	87%	0.87	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-27.4	-175.3	-71.7	-174.6	179.5	179.1	0	116.8	Y999	K997-Y999 PolarHBondContact O-N 3.34Å
998	L	59.3	Low	85.2	Confident	154 Å²	154	53.2 Å²	53.2	81%	0.806	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.3	175.4	-74.3	155.8	0	0	0	112.6	K996	K996-L998 PolarHBondContact O-N 2.88Å
999	Y	61.1	Low	85.4	Confident	158 Å²	158	53 Å²	53	62%	0.62	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.4	-44.8	-177	-55.2	-73.1	0	0	0	112	Q993 K996 K997 P1001	Q993-Y999 WeakPolarHBondContact O-CB 3.3Å; K996-Y999 PolarHBondContact O-N 3.13Å; K997-Y999 PolarHBondContact O-N 3.34Å; Y999-P1001 WeakPolarHBondContact O-CD 3.25Å
1000	N	61.8	Low	85.5	Confident	86 Å²	86	50.6 Å²	50.6	46%	0.46	25%	0.25	S	S	.	.			trans	17.3	56	-176.1	-155.4	34.7	0	0	0	118.6	A995 K996 V1002	A995-N1000 PolarHBondContact O-OD1 2.96Å; K996-N1000 PolarHBondContact O-N 2.61Å; N1000-V1002 VanDerWaalsContact C-N 3.33Å; N1000-V1002 PolarHBondContact OD1-O 3.06Å
1001	P	72.1	Confident	85.5	Confident	58 Å²	58	50 Å²	50	38%	0.377	25%	0.248	S	C	.	.			trans	-72.2	-23.7	170.3	31.3	-38.5	0	0	0	113.5	L947 L994 Y999	L947-P1001 HydrophobicContact CD2-CB 4.14Å; L994-P1001 HydrophobicContact CD2-CG 4.27Å; L994-P1001 WeakPolarHBondContact O-CD 3.27Å; L994-P1001 VanDerWaalsContact O-CG 3.3Å; L994-P1001 WeakPolarHBondContact O-CG 3.49Å; Y999-P1001 WeakPolarHBondContact O-CD 3.25Å
1002	V	89.1	Confident	85.1	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.024	25%	0.252	C	S	.	.	S	Bend	trans	-140.1	138	-168.5	-174.1	0	0	0	0	112.5	L947 L994 N1000 D1006 I1007 L1046 V1047	L947-V1002 HydrophobicContact CD1-CG2 3.95Å; L947-V1002 HydrophobicContact CD2-CG2 3.84Å; L947-V1002 HydrophobicContact CG-CG2 4.43Å; L994-V1002 HydrophobicContact CD2-CG2 4.44Å; L994-V1002 PolarHBondContact O-N 3.24Å; L994-V1002 VanDerWaalsContact O-N 3.16Å; N1000-V1002 VanDerWaalsContact C-N 3.33Å; N1000-V1002 PolarHBondContact OD1-O 3.06Å; V1002-D1006 HydrophobicContact CG1-CB 3.82Å; V1002-I1007 HydrophobicContact CB-CD1 4.4Å; V1002-I1007 HydrophobicContact CB-CG1 4.4Å; V1002-I1007 HydrophobicContact CG1-CD1 4.24Å; V1002-I1007 HydrophobicContact CG1-CG1 3.74Å; V1002-L1046 HydrophobicContact CG1-CD2 3.96Å; V1002-L1046 HydrophobicContact CG2-CD2 4.15Å; V1002-V1047 HydrophobicContact CG1-CG2 4.27Å; V1002-V1047 HydrophobicContact CG2-CG2 4.12Å
1003	H	91.3	Very high	84.8	Confident	114 Å²	114	50.4 Å²	50.4	53%	0.528	25%	0.249	S	C	.	.			trans	-71.6	140	174.6	-170.6	-94.2	0	0	0	111.4	S1005 D1006	H1003-S1005 VanDerWaalsContact C-N 3.26Å; H1003-S1005 PolarHBondContact CE1-OG 2.85Å; H1003-S1005 PolarHBondContact ND1-N 3.18Å; H1003-S1005 PolarHBondContact ND1-OG 3.42Å; H1003-S1005 PolarHBondContact O-N 2.82Å; H1003-S1005 VanDerWaalsContact O-N 3.12Å; H1003-D1006 WeakPolarHBondContact O-CB 3.14Å; H1003-D1006 PolarHBondContact O-N 3.1Å
1004	P	91.8	Very high	84.5	Confident	22 Å²	22	52.1 Å²	52.1	14%	0.143	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-52.5	-37.4	-177.5	-29.9	35.3	0	0	0	115.1	A995 D1006 I1007 D1031 I1032	A995-P1004 HydrophobicContact CB-CG 4.34Å; P1004-D1006 PolarHBondContact O-N 2.8Å; P1004-I1007 PolarHBondContact O-N 2.98Å; P1004-I1007 VanDerWaalsContact O-N 3.16Å; P1004-D1031 HydrophobicContact CB-CB 4.03Å; P1004-I1032 HydrophobicContact CB-CG1 3.9Å
1005	S	91.2	Very high	84.1	Confident	46 Å²	46	52.3 Å²	52.3	32%	0.322	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-67.8	-17.5	178.3	69.2	0	0	0	0	114.3	H1003 I1007	H1003-S1005 VanDerWaalsContact C-N 3.26Å; H1003-S1005 PolarHBondContact CE1-OG 2.85Å; H1003-S1005 PolarHBondContact ND1-N 3.18Å; H1003-S1005 PolarHBondContact ND1-OG 3.42Å; H1003-S1005 PolarHBondContact O-N 2.82Å; H1003-S1005 VanDerWaalsContact O-N 3.12Å; S1005-I1007 VanDerWaalsContact C-N 3.33Å
1006	D	94.2	Very high	84.2	Confident	55 Å²	55	51.9 Å²	51.9	29%	0.294	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-91.1	0.8	177.9	-71.9	-37.8	0	0	0	112.3	V1002 H1003 P1004 L1046 V1047	V1002-D1006 HydrophobicContact CG1-CB 3.82Å; H1003-D1006 WeakPolarHBondContact O-CB 3.14Å; H1003-D1006 PolarHBondContact O-N 3.1Å; P1004-D1006 PolarHBondContact O-N 2.8Å; D1006-L1046 HydrophobicContact CB-CB 3.84Å; D1006-L1046 WeakPolarHBondContact O-CB 3.07Å; D1006-L1046 PolarHBondContact O-N 3.3Å; D1006-V1047 PolarHBondContact O-N 2.88Å; D1006-V1047 VanDerWaalsContact O-N 3.08Å
1007	I	96.4	Very high	84.5	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131	175.8	-53.8	175.9	0	0	0	109	L994 A995 V1002 P1004 S1005 I1032 V1047 I1049	L994-I1007 HydrophobicContact CB-CD1 3.81Å; A995-I1007 HydrophobicContact CB-CD1 4Å; V1002-I1007 HydrophobicContact CB-CD1 4.4Å; V1002-I1007 HydrophobicContact CB-CG1 4.4Å; V1002-I1007 HydrophobicContact CG1-CD1 4.24Å; V1002-I1007 HydrophobicContact CG1-CG1 3.74Å; P1004-I1007 PolarHBondContact O-N 2.98Å; P1004-I1007 VanDerWaalsContact O-N 3.16Å; S1005-I1007 VanDerWaalsContact C-N 3.33Å; I1007-I1032 HydrophobicContact CB-CD1 4.46Å; I1007-I1032 HydrophobicContact CB-CG1 4.43Å; I1007-I1032 HydrophobicContact CB-CG2 4.13Å; I1007-I1032 HydrophobicContact CD1-CD1 4.22Å; I1007-I1032 HydrophobicContact CG2-CD1 4.42Å; I1007-I1032 HydrophobicContact CG2-CG2 3.93Å; I1007-V1047 HydrophobicContact CG1-CB 4.42Å; I1007-I1049 HydrophobicContact CG2-CD1 4.48Å
1008	G	97.4	Very high	85.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.9	174	0	0	0	0	0	111.8	V1047 I1048 I1049	G1008-V1047 PolarHBondContact N-O 3.08Å; G1008-I1048 CarbonylContact O-C 3.47Å; G1008-I1048 VanDerWaalsContact O-CA 3.32Å; G1008-I1048 WeakPolarHBondContact O-CA 3.32Å; G1008-I1049 PolarHBondContact O-N 3.09Å
1009	I	98.3	Very high	87.3	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	121.9	176.4	-52	177.4	0	0	0	109.3	V987 C991 I1020 L1024 I1032 K1033 V1034 G1035 F1040 I1049	V987-I1009 HydrophobicContact CG1-CD1 3.71Å; V987-I1009 HydrophobicContact CG1-CG1 4.36Å; V987-I1009 HydrophobicContact CG1-CG2 3.89Å; C991-I1009 VanDerWaalsContact SG-CD1 3.53Å; I1009-I1020 HydrophobicContact CD1-CG2 3.78Å; I1009-I1020 HydrophobicContact CG2-CD1 4.07Å; I1009-I1020 HydrophobicContact CG2-CG2 4.37Å; I1009-L1024 HydrophobicContact CD1-CD1 3.72Å; I1009-I1032 HydrophobicContact CD1-CG2 3.86Å; I1009-I1032 HydrophobicContact CG1-CG2 3.89Å; I1009-K1033 PolarHBondContact N-O 3.16Å; I1009-V1034 HydrophobicContact CB-CB 4.42Å; I1009-V1034 HydrophobicContact CB-CG1 4.16Å; I1009-V1034 HydrophobicContact CB-CG2 4.15Å; I1009-V1034 HydrophobicContact CD1-CG2 3.98Å; I1009-V1034 HydrophobicContact CG1-CG2 4.42Å; I1009-V1034 HydrophobicContact CG2-CG1 4.24Å; I1009-V1034 WeakPolarHBondContact O-CA 3.18Å; I1009-G1035 PolarHBondContact O-N 2.89Å; I1009-G1035 VanDerWaalsContact O-N 3.08Å; I1009-F1040 WeakPolarHBondContact O-CE2 3.46Å; I1009-F1040 WeakPolarHBondContact O-CZ 3.33Å; I1009-I1049 CarbonylContact C-O 3.54Å; I1009-I1049 WeakPolarHBondContact CA-O 3.19Å; I1009-I1049 HydrophobicContact CG1-CB 4.45Å
1010	I	96.3	Very high	88.9	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.4	178.4	-58.6	179.1	0	0	0	108	G1035 V1037 F1040 I1048 I1049 L1050 S1051 R1083	I1010-G1035 WeakPolarHBondContact CA-O 3.46Å; I1010-V1037 HydrophobicContact CG2-CB 4.39Å; I1010-V1037 HydrophobicContact CG2-CG2 3.64Å; I1010-F1040 HydrophobicContact CD1-CB 4.04Å; I1010-F1040 HydrophobicContact CD1-CD1 3.92Å; I1010-F1040 HydrophobicContact CD1-CG 3.94Å; I1010-F1040 HydrophobicContact CG1-CB 4.3Å; I1010-F1040 HydrophobicContact CG1-CD1 3.76Å; I1010-F1040 HydrophobicContact CG1-CD2 3.96Å; I1010-F1040 HydrophobicContact CG1-CE1 4Å; I1010-F1040 HydrophobicContact CG1-CE2 4.18Å; I1010-F1040 HydrophobicContact CG1-CG 3.73Å; I1010-F1040 HydrophobicContact CG1-CZ 4.19Å; I1010-I1048 HydrophobicContact CD1-CD1 4.24Å; I1010-I1048 HydrophobicContact CD1-CG2 3.87Å; I1010-I1048 HydrophobicContact CG1-CG2 4.21Å; I1010-I1049 PolarHBondContact N-O 3.29Å; I1010-L1050 HydrophobicContact CB-CD1 3.96Å; I1010-L1050 HydrophobicContact CG2-CD1 3.78Å; I1010-L1050 WeakPolarHBondContact O-CA 3.35Å; I1010-S1051 PolarHBondContact O-N 3.13Å; I1010-R1083 HydrophobicContact CD1-CB 4.25Å; I1010-R1083 HydrophobicContact CD1-CG 3.76Å
1011	A	93.8	Very high	90.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.			trans	-136.9	139.3	168.9	0	0	0	0	0	110.8	Y1013 Q1016 G1035 S1036	A1011-Y1013 VanDerWaalsContact C-N 3.28Å; A1011-Y1013 PolarHBondContact O-N 2.83Å; A1011-Q1016 HydrophobicContact CB-CB 4.09Å; A1011-Q1016 HydrophobicContact CB-CG 3.81Å; A1011-G1035 PolarHBondContact N-O 2.86Å; A1011-G1035 VanDerWaalsContact N-O 3.11Å; A1011-S1036 WeakPolarHBondContact O-CA 3.23Å
1012	P	86.6	Confident	91.2	Very high	14 Å²	14	29 Å²	29	9%	0.091	14%	0.142	C	C	.	.	S	Bend	trans	-62.7	-35.7	-178.6	19.8	-27.9	0	0	0	112.3	S1051 V1053 F1070 L1071	P1012-S1051 WeakPolarHBondContact CD-O 3.48Å; P1012-V1053 HydrophobicContact CG-CG2 4.32Å; P1012-F1070 HydrophobicContact CB-CD2 4.01Å; P1012-F1070 HydrophobicContact CB-CE2 3.15Å; P1012-F1070 HydrophobicContact CB-CZ 3.75Å; P1012-F1070 WeakPolarHBondContact O-CE2 3.18Å; P1012-F1070 WeakPolarHBondContact O-CZ 3.11Å; P1012-L1071 HydrophobicContact CB-CD2 4.01Å; P1012-L1071 HydrophobicContact CB-CG 4.35Å; P1012-L1071 HydrophobicContact CG-CD2 3.77Å; P1012-L1071 HydrophobicContact CG-CG 4.24Å
1013	Y	85.4	Confident	91.4	Very high	11 Å²	11	28.9 Å²	28.9	4%	0.043	14%	0.141	C	C	.	.	S	Bend	trans	-101.6	134.8	-172.5	-61.4	-82.8	0	0	0	112	W978 A1011 K1015 Q1016 C1017 V1053 R1054 F1070	W978-Y1013 HydrophobicContact CB-CD1 3.99Å; W978-Y1013 HydrophobicContact CB-CD2 4.37Å; W978-Y1013 HydrophobicContact CB-CE1 4.14Å; W978-Y1013 HydrophobicContact CB-CG 4.13Å; W978-Y1013 AromaticContact CD1-CE1 3.67Å; W978-Y1013 HydrophobicContact CG-CD1 4.5Å; W978-Y1013 HydrophobicContact CG-CE1 4.28Å; W978-Y1013 WeakPolarHBondContact O-CB 3.38Å; A1011-Y1013 VanDerWaalsContact C-N 3.28Å; A1011-Y1013 PolarHBondContact O-N 2.83Å; Y1013-K1015 VanDerWaalsContact C-N 3.33Å; Y1013-K1015 PolarHBondContact O-N 3.28Å; Y1013-Q1016 WeakPolarHBondContact O-CB 3.46Å; Y1013-Q1016 PolarHBondContact O-N 2.89Å; Y1013-C1017 PolarHBondContact O-N 3Å; Y1013-C1017 VanDerWaalsContact O-N 3.15Å; Y1013-C1017 PolarHBondContact O-SG 3.34Å; Y1013-C1017 VanDerWaalsContact O-SG 3.39Å; Y1013-V1053 HydrophobicContact CD2-CB 3.6Å; Y1013-V1053 HydrophobicContact CD2-CG1 3.79Å; Y1013-V1053 HydrophobicContact CD2-CG2 3.76Å; Y1013-V1053 HydrophobicContact CE2-CB 3.95Å; Y1013-V1053 HydrophobicContact CE2-CG1 4.26Å; Y1013-R1054 HydrophobicContact CE2-CG 3.86Å; Y1013-R1054 VanDerWaalsContact OH-CD 3.3Å; Y1013-R1054 WeakPolarHBondContact OH-CD 3.39Å; Y1013-R1054 WeakPolarHBondContact OH-CG 3.28Å; Y1013-F1070 AromaticContact CD1-CE1 3.84Å; Y1013-F1070 HydrophobicContact CD1-CE1 3.84Å; Y1013-F1070 AromaticContact CD1-CZ 3.61Å; Y1013-F1070 HydrophobicContact CD1-CZ 3.61Å; Y1013-F1070 HydrophobicContact CD2-CZ 4.37Å; Y1013-F1070 HydrophobicContact CE1-CD1 4.43Å; Y1013-F1070 AromaticContact CE1-CE1 3.31Å; Y1013-F1070 HydrophobicContact CE1-CE1 3.31Å; Y1013-F1070 AromaticContact CE1-CZ 3.43Å; Y1013-F1070 HydrophobicContact CE1-CZ 3.43Å; Y1013-F1070 VanDerWaalsContact CE1-CZ 3.43Å; Y1013-F1070 HydrophobicContact CE2-CZ 4.21Å; Y1013-F1070 HydrophobicContact CG-CZ 4.07Å; Y1013-F1070 AromaticContact CZ-CE1 3.79Å; Y1013-F1070 AromaticContact CZ-CZ 3.73Å
1014	R	83.2	Confident	91.5	Very high	89 Å²	89	23.6 Å²	23.6	34%	0.336	12%	0.117	S	C	.	.	H	α-helix	trans	-61.5	-41.6	-179.6	-171.3	-179.9	-179.3	104.4	5.9	111.7	E549 S977 Q1016 C1017 E1018	E549-R1014 VanDerWaalsContact CA-NH2 3.27Å; E549-R1014 PolarHBondContact O-NE 2.89Å; E549-R1014 PolarHBondContact O-NH1 3.1Å; E549-R1014 PolarHBondContact O-NH2 2.7Å; S977-R1014 PolarHBondContact OG-N 2.9Å; R1014-Q1016 VanDerWaalsContact C-N 3.34Å; R1014-Q1016 PolarHBondContact O-N 2.93Å; R1014-C1017 WeakPolarHBondContact O-CB 3.11Å; R1014-C1017 PolarHBondContact O-N 2.91Å; R1014-C1017 VanDerWaalsContact O-N 3.16Å; R1014-E1018 PolarHBondContact O-N 3.24Å; R1014-E1018 VanDerWaalsContact O-N 3.07Å
1015	K	84.3	Confident	91.4	Very high	5 Å²	5	24.2 Å²	24.2	2%	0.022	13%	0.127	C	C	.	.	H	α-helix	trans	-64.3	-37.3	177.6	-79.6	-73.5	169.4	-172.7	0	112.4	E549 E972 N975 S977 F979 Y1013 C1017 E1018 K1019	E549-K1015 VanDerWaalsContact CD-NZ 3.34Å; E549-K1015 IonicContact OE1-NZ 3.73Å; E549-K1015 PolarHBondContact OE1-NZ 3Å; E549-K1015 VanDerWaalsContact OE2-CE 3.32Å; E549-K1015 WeakPolarHBondContact OE2-CE 3.24Å; E549-K1015 IonicContact OE2-NZ 3.76Å; E549-K1015 PolarHBondContact OE2-NZ 3.28Å; E972-K1015 HydrophobicContact CG-CD 4.4Å; E972-K1015 VanDerWaalsContact OE1-CD 3.25Å; E972-K1015 WeakPolarHBondContact OE1-CD 3.41Å; E972-K1015 VanDerWaalsContact OE1-CE 3.23Å; E972-K1015 WeakPolarHBondContact OE1-CE 3.31Å; E972-K1015 IonicContact OE1-NZ 2.71Å; E972-K1015 PolarHBondContact OE1-NZ 2.93Å; N975-K1015 WeakPolarHBondContact ND2-CE 3.49Å; S977-K1015 PolarHBondContact OG-N 2.62Å; S977-K1015 VanDerWaalsContact OG-N 3.11Å; F979-K1015 HydrophobicContact CB-CB 4.28Å; F979-K1015 HydrophobicContact CD1-CB 4.33Å; Y1013-K1015 VanDerWaalsContact C-N 3.33Å; Y1013-K1015 PolarHBondContact O-N 3.28Å; K1015-C1017 PolarHBondContact O-N 3.44Å; K1015-E1018 WeakPolarHBondContact CD-OE2 3.21Å; K1015-E1018 WeakPolarHBondContact CE-OE2 3.37Å; K1015-E1018 IonicContact NZ-OE1 2.83Å; K1015-E1018 PolarHBondContact NZ-OE1 2.95Å; K1015-E1018 IonicContact NZ-OE2 2.88Å; K1015-E1018 PolarHBondContact NZ-OE2 2.73Å; K1015-E1018 WeakPolarHBondContact O-CB 3.47Å; K1015-E1018 PolarHBondContact O-N 2.94Å; K1015-K1019 WeakPolarHBondContact O-CG 3.43Å; K1015-K1019 PolarHBondContact O-N 3.02Å
1016	Q	91	Very high	91.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.8	-45	171	-173.4	72	-9	0	0	112.1	F979 N980 A1011 Y1013 R1014 E1018 K1019 I1020 S1051 V1053	F979-Q1016 HydrophobicContact CB-CB 4.41Å; N980-Q1016 PolarHBondContact O-NE2 3.04Å; N980-Q1016 VanDerWaalsContact O-NE2 3.17Å; N980-Q1016 PolarHBondContact O-OE1 3.41Å; A1011-Q1016 HydrophobicContact CB-CB 4.09Å; A1011-Q1016 HydrophobicContact CB-CG 3.81Å; Y1013-Q1016 WeakPolarHBondContact O-CB 3.46Å; Y1013-Q1016 PolarHBondContact O-N 2.89Å; R1014-Q1016 VanDerWaalsContact C-N 3.34Å; R1014-Q1016 PolarHBondContact O-N 2.93Å; Q1016-E1018 VanDerWaalsContact C-N 3.27Å; Q1016-E1018 PolarHBondContact O-N 3.3Å; Q1016-K1019 PolarHBondContact O-N 3.21Å; Q1016-I1020 HydrophobicContact CG-CD1 3.83Å; Q1016-I1020 HydrophobicContact CG-CG1 4.44Å; Q1016-I1020 VanDerWaalsContact O-CG1 3.29Å; Q1016-I1020 WeakPolarHBondContact O-CG1 3.37Å; Q1016-I1020 PolarHBondContact O-N 2.96Å; Q1016-S1051 PolarHBondContact NE2-OG 2.82Å; Q1016-V1053 HydrophobicContact CB-CG2 3.66Å; Q1016-V1053 HydrophobicContact CG-CG2 3.4Å; Q1016-V1053 VanDerWaalsContact CG-CG2 3.4Å
1017	C	90.8	Very high	91.1	Very high	3 Å²	3	27 Å²	27	2%	0.02	13%	0.134	C	C	.	.	H	α-helix	trans	-58.4	-40.9	177.6	-62.4	0	0	0	0	111.9	Y1013 R1014 K1015 R1021 V1034 G1035	Y1013-C1017 PolarHBondContact O-N 3Å; Y1013-C1017 VanDerWaalsContact O-N 3.15Å; Y1013-C1017 PolarHBondContact O-SG 3.34Å; Y1013-C1017 VanDerWaalsContact O-SG 3.39Å; R1014-C1017 WeakPolarHBondContact O-CB 3.11Å; R1014-C1017 PolarHBondContact O-N 2.91Å; R1014-C1017 VanDerWaalsContact O-N 3.16Å; K1015-C1017 PolarHBondContact O-N 3.44Å; C1017-R1021 WeakPolarHBondContact O-CG 3.49Å; C1017-R1021 PolarHBondContact O-N 3.44Å; C1017-V1034 HydrophobicContact CB-CG1 3.89Å; C1017-G1035 VanDerWaalsContact SG-C 3.6Å
1018	E	87.1	Confident	90.8	Very high	50 Å²	50	30 Å²	30	23%	0.234	16%	0.164	C	C	.	.	H	α-helix	trans	-64.7	-51	177	-172.9	-168.5	142.7	0	0	112.1	R1014 K1015 Q1016 I1020 R1021 V1022	R1014-E1018 PolarHBondContact O-N 3.24Å; R1014-E1018 VanDerWaalsContact O-N 3.07Å; K1015-E1018 WeakPolarHBondContact CD-OE2 3.21Å; K1015-E1018 WeakPolarHBondContact CE-OE2 3.37Å; K1015-E1018 IonicContact NZ-OE1 2.83Å; K1015-E1018 PolarHBondContact NZ-OE1 2.95Å; K1015-E1018 IonicContact NZ-OE2 2.88Å; K1015-E1018 PolarHBondContact NZ-OE2 2.73Å; K1015-E1018 WeakPolarHBondContact O-CB 3.47Å; K1015-E1018 PolarHBondContact O-N 2.94Å; Q1016-E1018 VanDerWaalsContact C-N 3.27Å; Q1016-E1018 PolarHBondContact O-N 3.3Å; E1018-I1020 VanDerWaalsContact C-N 3.28Å; E1018-I1020 PolarHBondContact O-N 3.17Å; E1018-R1021 WeakPolarHBondContact O-CB 3.37Å; E1018-R1021 PolarHBondContact O-N 2.82Å; E1018-V1022 WeakPolarHBondContact O-CG2 3.43Å; E1018-V1022 PolarHBondContact O-N 2.82Å
1019	K	89.9	Confident	90.5	Very high	15 Å²	15	30.5 Å²	30.5	7%	0.065	17%	0.167	C	C	.	.	H	α-helix	trans	-58.5	-40.4	178.5	-64.5	-62.2	179.3	-177	0	111.5	L427 E972 F979 K1015 Q1016 V1022 L1023	L427-K1019 HydrophobicContact CB-CD 4.45Å; L427-K1019 HydrophobicContact CD1-CB 4.32Å; L427-K1019 HydrophobicContact CD2-CB 4.02Å; L427-K1019 HydrophobicContact CD2-CD 3.92Å; L427-K1019 HydrophobicContact CD2-CG 4.45Å; E972-K1019 IonicContact OE1-NZ 2.69Å; E972-K1019 WeakPolarHBondContact OE2-CE 3.43Å; E972-K1019 IonicContact OE2-NZ 2.75Å; E972-K1019 PolarHBondContact OE2-NZ 3.19Å; F979-K1019 HydrophobicContact CB-CG 4.28Å; F979-K1019 HydrophobicContact CD2-CG 3.98Å; F979-K1019 HydrophobicContact CG-CG 4.15Å; K1015-K1019 WeakPolarHBondContact O-CG 3.43Å; K1015-K1019 PolarHBondContact O-N 3.02Å; Q1016-K1019 PolarHBondContact O-N 3.21Å; K1019-V1022 PolarHBondContact O-N 2.76Å; K1019-L1023 PolarHBondContact O-N 2.83Å; K1019-L1023 VanDerWaalsContact O-N 3.14Å
1020	I	94.2	Very high	90.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.3	-44.4	173.9	-67.4	168.9	0	0	0	111.1	A984 V987 I1009 Q1016 E1018 V1022 L1023 L1024 V1034	A984-I1020 HydrophobicContact CB-CG1 3.83Å; V987-I1020 HydrophobicContact CG1-CD1 4.26Å; V987-I1020 HydrophobicContact CG1-CG2 4.16Å; I1009-I1020 HydrophobicContact CD1-CG2 3.78Å; I1009-I1020 HydrophobicContact CG2-CD1 4.07Å; I1009-I1020 HydrophobicContact CG2-CG2 4.37Å; Q1016-I1020 HydrophobicContact CG-CD1 3.83Å; Q1016-I1020 HydrophobicContact CG-CG1 4.44Å; Q1016-I1020 VanDerWaalsContact O-CG1 3.29Å; Q1016-I1020 WeakPolarHBondContact O-CG1 3.37Å; Q1016-I1020 PolarHBondContact O-N 2.96Å; E1018-I1020 VanDerWaalsContact C-N 3.28Å; E1018-I1020 PolarHBondContact O-N 3.17Å; I1020-V1022 VanDerWaalsContact C-N 3.31Å; I1020-V1022 PolarHBondContact O-N 3.41Å; I1020-L1023 PolarHBondContact O-N 2.87Å; I1020-L1024 HydrophobicContact CG2-CD1 3.93Å; I1020-L1024 HydrophobicContact CG2-CG 4.18Å; I1020-L1024 VanDerWaalsContact O-CG 3.32Å; I1020-L1024 WeakPolarHBondContact O-CG 3.45Å; I1020-L1024 PolarHBondContact O-N 2.93Å; I1020-V1034 HydrophobicContact CB-CG1 4.25Å; I1020-V1034 HydrophobicContact CG2-CG1 4.1Å; I1020-V1034 HydrophobicContact CG2-CG2 4.1Å
1021	R	93	Very high	89.8	Confident	103 Å²	103	40.9 Å²	40.9	39%	0.389	23%	0.229	S	C	.	.	H	α-helix	trans	-59.9	-39.9	176.8	-78.5	-174	-75.1	-117.3	4.4	112.5	C1017 E1018 L1024 G1025 V1034	C1017-R1021 WeakPolarHBondContact O-CG 3.49Å; C1017-R1021 PolarHBondContact O-N 3.44Å; E1018-R1021 WeakPolarHBondContact O-CB 3.37Å; E1018-R1021 PolarHBondContact O-N 2.82Å; R1021-L1024 PolarHBondContact O-N 3.45Å; R1021-G1025 PolarHBondContact O-N 2.81Å; R1021-V1034 HydrophobicContact CG-CB 3.83Å; R1021-V1034 HydrophobicContact CG-CG1 4.4Å; R1021-V1034 HydrophobicContact CG-CG2 3.84Å; R1021-V1034 PolarHBondContact NH1-O 2.88Å
1022	V	89.8	Confident	89.8	Confident	79 Å²	79	41.1 Å²	41.1	48%	0.479	23%	0.23	S	C	.	.	H	α-helix	trans	-60	-48.8	175.3	172.7	0	0	0	0	110.9	E1018 K1019 I1020 L1024 G1025 K1026	E1018-V1022 WeakPolarHBondContact O-CG2 3.43Å; E1018-V1022 PolarHBondContact O-N 2.82Å; K1019-V1022 PolarHBondContact O-N 2.76Å; I1020-V1022 VanDerWaalsContact C-N 3.31Å; I1020-V1022 PolarHBondContact O-N 3.41Å; V1022-L1024 PolarHBondContact O-N 2.74Å; V1022-G1025 PolarHBondContact O-N 3.08Å; V1022-K1026 PolarHBondContact O-N 2.87Å; V1022-K1026 VanDerWaalsContact O-N 3.13Å
1023	L	92.8	Very high	90.2	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-44.5	177.2	-71.8	-175.1	0	0	0	112.5	D423 L427 A984 V985 M988 K1019 I1020 G1025 K1026 V1027	D423-L1023 HydrophobicContact CB-CD2 4.37Å; L427-L1023 HydrophobicContact CD1-CD1 3.75Å; L427-L1023 HydrophobicContact CD1-CD2 4.3Å; L427-L1023 HydrophobicContact CD1-CG 4.05Å; L427-L1023 HydrophobicContact CD2-CD2 4.07Å; L427-L1023 HydrophobicContact CD2-CG 4.06Å; L427-L1023 HydrophobicContact CG-CD2 4.24Å; L427-L1023 HydrophobicContact CG-CG 4.39Å; A984-L1023 HydrophobicContact CB-CD1 4.01Å; A984-L1023 WeakPolarHBondContact O-CD1 3.38Å; V985-L1023 HydrophobicContact CG2-CD1 3.94Å; M988-L1023 HydrophobicContact CB-CB 4.18Å; M988-L1023 HydrophobicContact CB-CD1 4.14Å; M988-L1023 HydrophobicContact CG-CB 4.1Å; M988-L1023 HydrophobicContact SD-CB 3.85Å; M988-L1023 HydrophobicContact SD-CD1 4.36Å; M988-L1023 HydrophobicContact SD-CD2 4.32Å; M988-L1023 HydrophobicContact SD-CG 4.41Å; K1019-L1023 PolarHBondContact O-N 2.83Å; K1019-L1023 VanDerWaalsContact O-N 3.14Å; I1020-L1023 PolarHBondContact O-N 2.87Å; L1023-G1025 VanDerWaalsContact C-N 3.3Å; L1023-G1025 PolarHBondContact O-N 3.07Å; L1023-K1026 WeakPolarHBondContact O-CB 3.49Å; L1023-K1026 PolarHBondContact O-N 3.38Å; L1023-V1027 PolarHBondContact O-N 2.96Å
1024	L	93.6	Very high	90.6	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-63.1	-37.5	177.7	-68.8	178.8	0	0	0	112.3	C991 I1009 I1020 R1021 V1022 V1027 G1028 L1029 I1032 V1034	C991-L1024 HydrophobicContact CB-CD2 3.75Å; I1009-L1024 HydrophobicContact CD1-CD1 3.72Å; I1020-L1024 HydrophobicContact CG2-CD1 3.93Å; I1020-L1024 HydrophobicContact CG2-CG 4.18Å; I1020-L1024 VanDerWaalsContact O-CG 3.32Å; I1020-L1024 WeakPolarHBondContact O-CG 3.45Å; I1020-L1024 PolarHBondContact O-N 2.93Å; R1021-L1024 PolarHBondContact O-N 3.45Å; V1022-L1024 PolarHBondContact O-N 2.74Å; L1024-V1027 HydrophobicContact CD2-CG2 4.48Å; L1024-V1027 WeakPolarHBondContact O-CG2 3.33Å; L1024-V1027 PolarHBondContact O-N 3.1Å; L1024-G1028 PolarHBondContact O-N 2.94Å; L1024-G1028 VanDerWaalsContact O-N 3.13Å; L1024-L1029 HydrophobicContact CB-CB 4.37Å; L1024-L1029 HydrophobicContact CD2-CB 4.08Å; L1024-L1029 HydrophobicContact CD2-CD1 4.46Å; L1024-L1029 PolarHBondContact O-N 3.15Å; L1024-I1032 HydrophobicContact CD1-CB 4.12Å; L1024-I1032 HydrophobicContact CD1-CG2 4.29Å; L1024-I1032 HydrophobicContact CD2-CD1 4.4Å; L1024-V1034 HydrophobicContact CD1-CG2 3.72Å
1025	G	90.9	Very high	90.9	Very high	35 Å²	35	39 Å²	39	36%	0.361	22%	0.223	S	C	.	.	H	α-helix	trans	-59.2	-44.9	173.4	0	0	0	0	0	112.4	R1021 V1022 L1023 V1027 G1028 S1030	R1021-G1025 PolarHBondContact O-N 2.81Å; V1022-G1025 PolarHBondContact O-N 3.08Å; L1023-G1025 VanDerWaalsContact C-N 3.3Å; L1023-G1025 PolarHBondContact O-N 3.07Å; G1025-V1027 PolarHBondContact O-N 2.68Å; G1025-G1028 PolarHBondContact O-N 3.26Å; G1025-S1030 WeakPolarHBondContact CA-OG 3.36Å
1026	K	90.1	Very high	91.1	Very high	128 Å²	128	39.8 Å²	39.8	56%	0.557	23%	0.23	S	C	*	.	H	α-helix	trans	-57.7	-36.7	176.2	-177.3	-175.8	178	-173.2	0	112.5	D423 L426 V1022 L1023	D423-K1026 IonicContact OD1-NZ 2.79Å; D423-K1026 PolarHBondContact OD1-NZ 2.63Å; L426-K1026 HydrophobicContact CD1-CD 3.55Å; V1022-K1026 PolarHBondContact O-N 2.87Å; V1022-K1026 VanDerWaalsContact O-N 3.13Å; L1023-K1026 WeakPolarHBondContact O-CB 3.49Å; L1023-K1026 PolarHBondContact O-N 3.38Å
1027	V	89.5	Confident	91	Very high	32 Å²	32	40.3 Å²	40.3	19%	0.194	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	5.9	-176.9	-61	0	0	0	0	114.6	M988 K996 L1023 L1024 G1025 L1029	M988-V1027 HydrophobicContact CG-CG1 4.3Å; M988-V1027 HydrophobicContact CG-CG2 4.09Å; M988-V1027 HydrophobicContact SD-CG1 3.74Å; K996-V1027 WeakPolarHBondContact CE-O 3.43Å; L1023-V1027 PolarHBondContact O-N 2.96Å; L1024-V1027 HydrophobicContact CD2-CG2 4.48Å; L1024-V1027 WeakPolarHBondContact O-CG2 3.33Å; L1024-V1027 PolarHBondContact O-N 3.1Å; G1025-V1027 PolarHBondContact O-N 2.68Å; V1027-L1029 HydrophobicContact CG2-CB 4.18Å; V1027-L1029 HydrophobicContact CG2-CD1 3.96Å; V1027-L1029 HydrophobicContact CG2-CG 4.08Å
1028	G	89.3	Confident	90.7	Very high	62 Å²	62	42.3 Å²	42.3	64%	0.639	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.8	31.6	178.1	0	0	0	0	0	114.4	L1024 G1025	L1024-G1028 PolarHBondContact O-N 2.94Å; L1024-G1028 VanDerWaalsContact O-N 3.13Å; G1025-G1028 PolarHBondContact O-N 3.26Å
1029	L	91.8	Very high	90.5	Very high	11 Å²	11	44.2 Å²	44.2	6%	0.058	25%	0.25	C	S	.	.			trans	-120.6	31.1	-178.7	-65.5	177.7	0	0	0	112.7	C991 A995 L1024 V1027 D1031 I1032	C991-L1029 HydrophobicContact CB-CD1 4.01Å; A995-L1029 HydrophobicContact CB-CD1 4.29Å; A995-L1029 HydrophobicContact CB-CD2 3.67Å; L1024-L1029 HydrophobicContact CB-CB 4.37Å; L1024-L1029 HydrophobicContact CD2-CB 4.08Å; L1024-L1029 HydrophobicContact CD2-CD1 4.46Å; L1024-L1029 PolarHBondContact O-N 3.15Å; V1027-L1029 HydrophobicContact CG2-CB 4.18Å; V1027-L1029 HydrophobicContact CG2-CD1 3.96Å; V1027-L1029 HydrophobicContact CG2-CG 4.08Å; L1029-D1031 PolarHBondContact O-N 3.47Å; L1029-D1031 VanDerWaalsContact O-N 3.13Å; L1029-I1032 HydrophobicContact CB-CD1 3.93Å; L1029-I1032 HydrophobicContact CB-CG1 4.39Å; L1029-I1032 HydrophobicContact CD1-CD1 4.22Å; L1029-I1032 HydrophobicContact CG-CD1 4.47Å; L1029-I1032 PolarHBondContact O-N 2.92Å
1030	S	89.4	Confident	90.4	Very high	85 Å²	85	43.5 Å²	43.5	59%	0.594	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.7	-179.3	-49	0	0	0	0	114.5	G1025 I1032	G1025-S1030 WeakPolarHBondContact CA-OG 3.36Å; S1030-I1032 PolarHBondContact O-N 3.1Å
1031	D	89.4	Confident	89.8	Confident	133 Å²	133	44.8 Å²	44.8	71%	0.711	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-14	179.8	-64.3	-29.1	0	0	0	113.4	P1004 L1029 K1033	P1004-D1031 HydrophobicContact CB-CB 4.03Å; L1029-D1031 PolarHBondContact O-N 3.47Å; L1029-D1031 VanDerWaalsContact O-N 3.13Å; D1031-K1033 PolarHBondContact O-N 2.86Å
1032	I	94.3	Very high	89	Confident	6 Å²	6	42 Å²	42	3%	0.031	26%	0.257	C	S	.	.	S	Bend	trans	-70.7	129.4	176.4	-62.7	179.4	0	0	0	109	C991 P1004 I1007 I1009 L1024 L1029 S1030 V1034	C991-I1032 HydrophobicContact CB-CD1 3.83Å; P1004-I1032 HydrophobicContact CB-CG1 3.9Å; I1007-I1032 HydrophobicContact CB-CD1 4.46Å; I1007-I1032 HydrophobicContact CB-CG1 4.43Å; I1007-I1032 HydrophobicContact CB-CG2 4.13Å; I1007-I1032 HydrophobicContact CD1-CD1 4.22Å; I1007-I1032 HydrophobicContact CG2-CD1 4.42Å; I1007-I1032 HydrophobicContact CG2-CG2 3.93Å; I1009-I1032 HydrophobicContact CD1-CG2 3.86Å; I1009-I1032 HydrophobicContact CG1-CG2 3.89Å; L1024-I1032 HydrophobicContact CD1-CB 4.12Å; L1024-I1032 HydrophobicContact CD1-CG2 4.29Å; L1024-I1032 HydrophobicContact CD2-CD1 4.4Å; L1029-I1032 HydrophobicContact CB-CD1 3.93Å; L1029-I1032 HydrophobicContact CB-CG1 4.39Å; L1029-I1032 HydrophobicContact CD1-CD1 4.22Å; L1029-I1032 HydrophobicContact CG-CD1 4.47Å; L1029-I1032 PolarHBondContact O-N 2.92Å; S1030-I1032 PolarHBondContact O-N 3.1Å; I1032-V1034 PolarHBondContact O-N 3.5Å
1033	K	93.9	Very high	88.8	Confident	60 Å²	60	41.6 Å²	41.6	26%	0.261	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	127.7	178.2	-175.9	176.5	170.6	167.1	0	110.7	I1009 D1031 E1039 F1040 F1045	I1009-K1033 PolarHBondContact N-O 3.16Å; D1031-K1033 PolarHBondContact O-N 2.86Å; K1033-E1039 PolarHBondContact NZ-O 2.84Å; K1033-F1040 HydrophobicContact CB-CZ 4.28Å; K1033-F1040 HydrophobicContact CD-CE1 4.38Å; K1033-F1040 HydrophobicContact CD-CE2 4.22Å; K1033-F1040 HydrophobicContact CD-CZ 3.95Å; K1033-F1040 HydrophobicContact CG-CE2 4.14Å; K1033-F1040 HydrophobicContact CG-CZ 3.79Å; K1033-F1045 HydrophobicContact CB-CE1 4.21Å; K1033-F1045 HydrophobicContact CB-CZ 4.16Å; K1033-F1045 HydrophobicContact CD-CE2 4.43Å; K1033-F1045 HydrophobicContact CD-CZ 3.74Å; K1033-F1045 HydrophobicContact CG-CZ 4.49Å
1034	V	94.5	Very high	88.6	Confident	7 Å²	7	44 Å²	44	4%	0.042	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	131.9	173.6	-169	0	0	0	0	109.6	I1009 C1017 I1020 R1021 L1024 I1032	I1009-V1034 HydrophobicContact CB-CB 4.42Å; I1009-V1034 HydrophobicContact CB-CG1 4.16Å; I1009-V1034 HydrophobicContact CB-CG2 4.15Å; I1009-V1034 HydrophobicContact CD1-CG2 3.98Å; I1009-V1034 HydrophobicContact CG1-CG2 4.42Å; I1009-V1034 HydrophobicContact CG2-CG1 4.24Å; I1009-V1034 WeakPolarHBondContact O-CA 3.18Å; C1017-V1034 HydrophobicContact CB-CG1 3.89Å; I1020-V1034 HydrophobicContact CB-CG1 4.25Å; I1020-V1034 HydrophobicContact CG2-CG1 4.1Å; I1020-V1034 HydrophobicContact CG2-CG2 4.1Å; R1021-V1034 HydrophobicContact CG-CB 3.83Å; R1021-V1034 HydrophobicContact CG-CG1 4.4Å; R1021-V1034 HydrophobicContact CG-CG2 3.84Å; R1021-V1034 PolarHBondContact NH1-O 2.88Å; L1024-V1034 HydrophobicContact CD1-CG2 3.72Å; I1032-V1034 PolarHBondContact O-N 3.5Å
1035	G	89.9	Confident	88.6	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.1	179.1	-177.8	0	0	0	0	0	114	I1009 I1010 A1011 C1017 E1039	I1009-G1035 PolarHBondContact O-N 2.89Å; I1009-G1035 VanDerWaalsContact O-N 3.08Å; I1010-G1035 WeakPolarHBondContact CA-O 3.46Å; A1011-G1035 PolarHBondContact N-O 2.86Å; A1011-G1035 VanDerWaalsContact N-O 3.11Å; C1017-G1035 VanDerWaalsContact SG-C 3.6Å; G1035-E1039 WeakPolarHBondContact CA-OE2 3.29Å
1036	S	88.5	Confident	88.9	Confident	23 Å²	23	44.4 Å²	44.4	16%	0.161	25%	0.254	C	S	.	.			trans	-77.1	169.5	177.2	83.5	0	0	0	0	112.4	A1011 E1038 E1039 F1040	A1011-S1036 WeakPolarHBondContact O-CA 3.23Å; S1036-E1038 VanDerWaalsContact CB-OE2 3.26Å; S1036-E1038 WeakPolarHBondContact CB-OE2 3.44Å; S1036-E1038 PolarHBondContact O-N 2.93Å; S1036-E1038 PolarHBondContact OG-N 3.13Å; S1036-E1038 PolarHBondContact OG-OE2 3.29Å; S1036-E1039 PolarHBondContact O-N 3.13Å; S1036-E1039 VanDerWaalsContact O-N 3.15Å; S1036-F1040 VanDerWaalsContact O-CD2 3.31Å; S1036-F1040 WeakPolarHBondContact O-CD2 3.32Å; S1036-F1040 PolarHBondContact O-N 2.81Å
1037	V	87.6	Confident	89.2	Confident	11 Å²	11	38.3 Å²	38.3	7%	0.067	23%	0.228	C	C	.	.	H	α-helix	trans	-57.6	-38.9	177.8	-175.3	0	0	0	0	111.2	L869 I1010 E1039 F1040 Q1041 R1076 V1079 A1080	L869-V1037 HydrophobicContact CD1-CB 4.41Å; L869-V1037 HydrophobicContact CD1-CG1 3.82Å; I1010-V1037 HydrophobicContact CG2-CB 4.39Å; I1010-V1037 HydrophobicContact CG2-CG2 3.64Å; V1037-E1039 PolarHBondContact O-N 3.34Å; V1037-F1040 PolarHBondContact O-N 3.36Å; V1037-Q1041 PolarHBondContact O-N 2.87Å; V1037-R1076 HydrophobicContact CG1-CB 4.38Å; V1037-R1076 WeakPolarHBondContact CG1-O 3.28Å; V1037-V1079 HydrophobicContact CG1-CB 3.73Å; V1037-V1079 HydrophobicContact CG1-CG1 3.6Å; V1037-A1080 HydrophobicContact CG1-CB 4.47Å; V1037-A1080 HydrophobicContact CG2-CB 4.41Å
1038	E	84.9	Confident	89.6	Confident	45 Å²	45	36.8 Å²	36.8	21%	0.21	22%	0.219	C	C	.	.	H	α-helix	trans	-61	-42	178.3	-62.2	75.7	-168.1	0	0	111.8	L869 I872 S1036 F1040 Q1041 R1076	L869-E1038 HydrophobicContact CD1-CG 4.1Å; I872-E1038 HydrophobicContact CD1-CB 4.09Å; I872-E1038 HydrophobicContact CD1-CG 3.81Å; I872-E1038 HydrophobicContact CG1-CG 4.31Å; S1036-E1038 VanDerWaalsContact CB-OE2 3.26Å; S1036-E1038 WeakPolarHBondContact CB-OE2 3.44Å; S1036-E1038 PolarHBondContact O-N 2.93Å; S1036-E1038 PolarHBondContact OG-N 3.13Å; S1036-E1038 PolarHBondContact OG-OE2 3.29Å; E1038-F1040 PolarHBondContact O-N 2.88Å; E1038-Q1041 PolarHBondContact O-N 3.01Å; E1038-R1076 IonicContact OE1-CZ 3.12Å; E1038-R1076 IonicContact OE1-NE 3.26Å; E1038-R1076 PolarHBondContact OE1-NE 2.79Å; E1038-R1076 VanDerWaalsContact OE1-NE 3.17Å; E1038-R1076 IonicContact OE1-NH1 3.89Å; E1038-R1076 IonicContact OE1-NH2 3.68Å; E1038-R1076 PolarHBondContact OE1-NH2 3.29Å
1039	E	84.1	Confident	90.1	Very high	89 Å²	89	33.9 Å²	33.9	42%	0.416	19%	0.188	S	C	.	.	H	α-helix	trans	-69.8	-16	179	-66.1	179.1	-161.9	0	0	113.8	K1033 G1035 S1036 V1037 Q1043	K1033-E1039 PolarHBondContact NZ-O 2.84Å; G1035-E1039 WeakPolarHBondContact CA-OE2 3.29Å; S1036-E1039 PolarHBondContact O-N 3.13Å; S1036-E1039 VanDerWaalsContact O-N 3.15Å; V1037-E1039 PolarHBondContact O-N 3.34Å; E1039-Q1043 PolarHBondContact O-NE2 2.73Å; E1039-Q1043 VanDerWaalsContact O-NE2 3.12Å
1040	F	87.1	Confident	90.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-99.4	-8.3	178.8	-84.7	-104.3	0	0	0	113.3	I1009 I1010 K1033 S1036 V1037 E1038 G1042 Q1043 F1045 I1048 R1083	I1009-F1040 WeakPolarHBondContact O-CE2 3.46Å; I1009-F1040 WeakPolarHBondContact O-CZ 3.33Å; I1010-F1040 HydrophobicContact CD1-CB 4.04Å; I1010-F1040 HydrophobicContact CD1-CD1 3.92Å; I1010-F1040 HydrophobicContact CD1-CG 3.94Å; I1010-F1040 HydrophobicContact CG1-CB 4.3Å; I1010-F1040 HydrophobicContact CG1-CD1 3.76Å; I1010-F1040 HydrophobicContact CG1-CD2 3.96Å; I1010-F1040 HydrophobicContact CG1-CE1 4Å; I1010-F1040 HydrophobicContact CG1-CE2 4.18Å; I1010-F1040 HydrophobicContact CG1-CG 3.73Å; I1010-F1040 HydrophobicContact CG1-CZ 4.19Å; K1033-F1040 HydrophobicContact CB-CZ 4.28Å; K1033-F1040 HydrophobicContact CD-CE1 4.38Å; K1033-F1040 HydrophobicContact CD-CE2 4.22Å; K1033-F1040 HydrophobicContact CD-CZ 3.95Å; K1033-F1040 HydrophobicContact CG-CE2 4.14Å; K1033-F1040 HydrophobicContact CG-CZ 3.79Å; S1036-F1040 VanDerWaalsContact O-CD2 3.31Å; S1036-F1040 WeakPolarHBondContact O-CD2 3.32Å; S1036-F1040 PolarHBondContact O-N 2.81Å; V1037-F1040 PolarHBondContact O-N 3.36Å; E1038-F1040 PolarHBondContact O-N 2.88Å; F1040-G1042 PolarHBondContact O-N 3.22Å; F1040-Q1043 WeakPolarHBondContact O-CB 3.1Å; F1040-Q1043 PolarHBondContact O-N 2.79Å; F1040-F1045 AromaticContact CD1-CD2 3.86Å; F1040-F1045 HydrophobicContact CD1-CD2 3.86Å; F1040-F1045 AromaticContact CD1-CE2 3.53Å; F1040-F1045 HydrophobicContact CD1-CE2 3.53Å; F1040-F1045 HydrophobicContact CD1-CZ 4.49Å; F1040-F1045 AromaticContact CE1-CD2 3.67Å; F1040-F1045 HydrophobicContact CE1-CD2 3.67Å; F1040-F1045 AromaticContact CE1-CE2 3.32Å; F1040-F1045 HydrophobicContact CE1-CE2 3.32Å; F1040-F1045 AromaticContact CE1-CZ 3.94Å; F1040-F1045 HydrophobicContact CE1-CZ 3.94Å; F1040-F1045 HydrophobicContact CZ-CE2 4.36Å; F1040-I1048 HydrophobicContact CD1-CD1 4.16Å; F1040-I1048 HydrophobicContact CE1-CD1 4.04Å; F1040-R1083 HydrophobicContact CB-CG 4.3Å; F1040-R1083 WeakPolarHBondContact O-CD 3.45Å
1041	Q	82.4	Confident	90.7	Very high	27 Å²	27	29.6 Å²	29.6	13%	0.126	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	136.1	177.3	-165.1	172.4	2.1	0	0	110.6	L869 V1037 E1038 Q1043 V1079	L869-Q1041 PolarHBondContact O-NE2 3.1Å; L869-Q1041 VanDerWaalsContact O-NE2 3.17Å; V1037-Q1041 PolarHBondContact O-N 2.87Å; E1038-Q1041 PolarHBondContact O-N 3.01Å; Q1041-Q1043 PolarHBondContact O-N 3.09Å; Q1041-V1079 HydrophobicContact CB-CG1 4.43Å
1042	G	75.9	Confident	90.9	Very high	46 Å²	46	23.2 Å²	23.2	47%	0.474	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	-9.6	-173.1	0	0	0	0	0	115.6	F1040	F1040-G1042 PolarHBondContact O-N 3.22Å
1043	Q	84.6	Confident	90.8	Very high	70 Å²	70	23 Å²	23	33%	0.327	12%	0.123	S	C	.	.			trans	-97.6	165	177.3	-54.8	-172.8	30.6	0	0	111.2	E1039 F1040 Q1041 F1045 R1083	E1039-Q1043 PolarHBondContact O-NE2 2.73Å; E1039-Q1043 VanDerWaalsContact O-NE2 3.12Å; F1040-Q1043 WeakPolarHBondContact O-CB 3.1Å; F1040-Q1043 PolarHBondContact O-N 2.79Å; Q1041-Q1043 PolarHBondContact O-N 3.09Å; Q1043-F1045 HydrophobicContact CB-CE2 3.99Å; Q1043-R1083 WeakPolarHBondContact O-CD 3.45Å; Q1043-R1083 PolarHBondContact O-NH1 2.97Å
1044	E	88.4	Confident	90.5	Very high	51 Å²	51	21 Å²	21	24%	0.238	11%	0.114	C	C	.	.			trans	-150.9	142.8	-178.6	56.1	-176.6	-143.8	0	0	109.8	R917 R1083 K1085	R917-E1044 IonicContact CZ-OE2 3.29Å; R917-E1044 IonicContact NE-OE2 3.43Å; R917-E1044 PolarHBondContact NE-OE2 2.89Å; R917-E1044 IonicContact NH2-OE2 2.74Å; R917-E1044 PolarHBondContact NH2-OE2 3.24Å; E1044-R1083 WeakPolarHBondContact CA-O 3.48Å; E1044-K1085 WeakPolarHBondContact OE1-CE 3.13Å; E1044-K1085 IonicContact OE1-NZ 3.36Å; E1044-K1085 PolarHBondContact OE1-NZ 2.86Å
1045	F	95.3	Very high	89.9	Confident	19 Å²	19	21.3 Å²	21.3	8%	0.083	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.6	-175.9	-69.9	-93.1	0	0	0	109.7	K1033 F1040 Q1043 V1047 I1048 R1083 P1084 K1085	K1033-F1045 HydrophobicContact CB-CE1 4.21Å; K1033-F1045 HydrophobicContact CB-CZ 4.16Å; K1033-F1045 HydrophobicContact CD-CE2 4.43Å; K1033-F1045 HydrophobicContact CD-CZ 3.74Å; K1033-F1045 HydrophobicContact CG-CZ 4.49Å; F1040-F1045 AromaticContact CD1-CD2 3.86Å; F1040-F1045 HydrophobicContact CD1-CD2 3.86Å; F1040-F1045 AromaticContact CD1-CE2 3.53Å; F1040-F1045 HydrophobicContact CD1-CE2 3.53Å; F1040-F1045 HydrophobicContact CD1-CZ 4.49Å; F1040-F1045 AromaticContact CE1-CD2 3.67Å; F1040-F1045 HydrophobicContact CE1-CD2 3.67Å; F1040-F1045 AromaticContact CE1-CE2 3.32Å; F1040-F1045 HydrophobicContact CE1-CE2 3.32Å; F1040-F1045 AromaticContact CE1-CZ 3.94Å; F1040-F1045 HydrophobicContact CE1-CZ 3.94Å; F1040-F1045 HydrophobicContact CZ-CE2 4.36Å; Q1043-F1045 HydrophobicContact CB-CE2 3.99Å; F1045-V1047 VanDerWaalsContact C-N 3.3Å; F1045-V1047 WeakPolarHBondContact CB-O 3.14Å; F1045-I1048 HydrophobicContact CB-CD1 3.69Å; F1045-I1048 HydrophobicContact CB-CG1 4.17Å; F1045-I1048 HydrophobicContact CD2-CD1 3.74Å; F1045-I1048 HydrophobicContact CG-CD1 3.96Å; F1045-R1083 PolarHBondContact N-O 2.96Å; F1045-P1084 CarbonylContact O-C 3.57Å; F1045-P1084 WeakPolarHBondContact O-CA 3.24Å; F1045-K1085 WeakPolarHBondContact O-CG 3.35Å; F1045-K1085 PolarHBondContact O-N 2.94Å
1046	L	95.7	Very high	89	Confident	27 Å²	27	22.5 Å²	22.5	14%	0.141	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	-45.9	173.9	-169.8	68.5	0	0	0	109.6	I943 L947 V1002 D1006 K1085 A1086 L1087	I943-L1046 HydrophobicContact CG2-CD1 3.91Å; L947-L1046 HydrophobicContact CD1-CD2 4.4Å; L947-L1046 HydrophobicContact CD1-CG 4.37Å; V1002-L1046 HydrophobicContact CG1-CD2 3.96Å; V1002-L1046 HydrophobicContact CG2-CD2 4.15Å; D1006-L1046 HydrophobicContact CB-CB 3.84Å; D1006-L1046 WeakPolarHBondContact O-CB 3.07Å; D1006-L1046 PolarHBondContact O-N 3.3Å; L1046-K1085 HydrophobicContact CD1-CB 4.4Å; L1046-A1086 HydrophobicContact CD1-CB 3.51Å; L1046-A1086 HydrophobicContact CG-CB 3.95Å; L1046-A1086 PolarHBondContact O-N 3.5Å; L1046-L1087 PolarHBondContact O-N 2.83Å
1047	V	97.2	Very high	87.4	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135	177.9	-172.7	0	0	0	0	110.5	L947 L994 V1002 D1006 I1007 G1008 F1045 I1049 L1087	L947-V1047 HydrophobicContact CD1-CG2 3.35Å; L994-V1047 HydrophobicContact CD1-CG1 3.87Å; V1002-V1047 HydrophobicContact CG1-CG2 4.27Å; V1002-V1047 HydrophobicContact CG2-CG2 4.12Å; D1006-V1047 PolarHBondContact O-N 2.88Å; D1006-V1047 VanDerWaalsContact O-N 3.08Å; I1007-V1047 HydrophobicContact CG1-CB 4.42Å; G1008-V1047 PolarHBondContact N-O 3.08Å; F1045-V1047 VanDerWaalsContact C-N 3.3Å; F1045-V1047 WeakPolarHBondContact CB-O 3.14Å; V1047-I1049 HydrophobicContact CG1-CG1 4.38Å; V1047-L1087 WeakPolarHBondContact CA-O 3.29Å; V1047-L1087 HydrophobicContact CG1-CB 4.11Å; V1047-L1087 HydrophobicContact CG1-CD2 4.03Å; V1047-L1087 HydrophobicContact CG1-CG 4.12Å; V1047-L1087 HydrophobicContact CG2-CB 4.13Å; V1047-L1087 HydrophobicContact CG2-CD2 4.42Å
1048	I	98.2	Very high	85.3	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	132.9	167.2	-66.7	-72	0	0	0	109.6	G1008 I1010 F1040 F1045 R1083 P1084 L1087 L1088 I1089	G1008-I1048 CarbonylContact O-C 3.47Å; G1008-I1048 VanDerWaalsContact O-CA 3.32Å; G1008-I1048 WeakPolarHBondContact O-CA 3.32Å; I1010-I1048 HydrophobicContact CD1-CD1 4.24Å; I1010-I1048 HydrophobicContact CD1-CG2 3.87Å; I1010-I1048 HydrophobicContact CG1-CG2 4.21Å; F1040-I1048 HydrophobicContact CD1-CD1 4.16Å; F1040-I1048 HydrophobicContact CE1-CD1 4.04Å; F1045-I1048 HydrophobicContact CB-CD1 3.69Å; F1045-I1048 HydrophobicContact CB-CG1 4.17Å; F1045-I1048 HydrophobicContact CD2-CD1 3.74Å; F1045-I1048 HydrophobicContact CG-CD1 3.96Å; I1048-R1083 HydrophobicContact CD1-CB 3.75Å; I1048-R1083 HydrophobicContact CG1-CB 3.66Å; I1048-P1084 HydrophobicContact CB-CB 3.9Å; I1048-P1084 HydrophobicContact CB-CG 4.18Å; I1048-P1084 HydrophobicContact CG1-CB 3.8Å; I1048-P1084 HydrophobicContact CG1-CG 4.26Å; I1048-L1087 PolarHBondContact N-O 2.82Å; I1048-L1088 HydrophobicContact CB-CD1 4.05Å; I1048-L1088 HydrophobicContact CG2-CD1 3.82Å; I1048-L1088 WeakPolarHBondContact O-CA 3.44Å; I1048-I1089 PolarHBondContact O-N 2.82Å
1049	I	98.4	Very high	83.3	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.2	168.2	-51.1	177.3	0	0	0	107.8	V987 L994 I1007 G1008 I1009 I1010 V1047 I1089 V1091	V987-I1049 HydrophobicContact CB-CG2 4.43Å; V987-I1049 HydrophobicContact CG1-CG2 4.08Å; V987-I1049 HydrophobicContact CG2-CG2 3.89Å; L994-I1049 HydrophobicContact CD1-CD1 4.33Å; I1007-I1049 HydrophobicContact CG2-CD1 4.48Å; G1008-I1049 PolarHBondContact O-N 3.09Å; I1009-I1049 CarbonylContact C-O 3.54Å; I1009-I1049 WeakPolarHBondContact CA-O 3.19Å; I1009-I1049 HydrophobicContact CG1-CB 4.45Å; I1010-I1049 PolarHBondContact N-O 3.29Å; V1047-I1049 HydrophobicContact CG1-CG1 4.38Å; I1049-I1089 CarbonylContact C-O 3.41Å; I1049-I1089 VanDerWaalsContact CA-O 3.3Å; I1049-I1089 WeakPolarHBondContact CA-O 3.49Å; I1049-I1089 HydrophobicContact CG1-CB 4.24Å; I1049-I1089 HydrophobicContact CG1-CD1 4.34Å; I1049-I1089 HydrophobicContact CG2-CB 4.32Å; I1049-I1089 HydrophobicContact CG2-CG2 4.44Å; I1049-V1091 HydrophobicContact CG2-CG2 4.31Å
1050	L	97.8	Very high	81.4	Confident	6 Å²	6	38.5 Å²	38.5	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	118.6	178.2	176.8	62.6	0	0	0	109.5	I1010 A1080 I1089 I1090 V1091	I1010-L1050 HydrophobicContact CB-CD1 3.96Å; I1010-L1050 HydrophobicContact CG2-CD1 3.78Å; I1010-L1050 WeakPolarHBondContact O-CA 3.35Å; L1050-A1080 HydrophobicContact CD1-CB 4.29Å; L1050-A1080 HydrophobicContact CD2-CB 4.25Å; L1050-I1089 PolarHBondContact N-O 2.89Å; L1050-I1090 HydrophobicContact CB-CG1 4.35Å; L1050-I1090 HydrophobicContact CB-CG2 4.39Å; L1050-I1090 HydrophobicContact CD2-CG2 4.19Å; L1050-I1090 HydrophobicContact CG-CG2 4.4Å; L1050-I1090 CarbonylContact O-C 3.51Å; L1050-I1090 WeakPolarHBondContact O-CA 3.36Å; L1050-V1091 PolarHBondContact O-N 2.94Å
1051	S	96.7	Very high	79.3	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	130.3	169.1	166.9	0	0	0	0	109.2	E983 I1010 P1012 Q1016 V1091	E983-S1051 PolarHBondContact OE2-OG 2.91Å; I1010-S1051 PolarHBondContact O-N 3.13Å; P1012-S1051 WeakPolarHBondContact CD-O 3.48Å; Q1016-S1051 PolarHBondContact NE2-OG 2.82Å; S1051-V1091 WeakPolarHBondContact CA-O 3.34Å
1052	T	94.1	Very high	77.7	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.26	C	S	.	.			trans	-96	-22.2	-176.4	61.3	0	0	0	0	114	E983 R1054 L1071 I1090 V1091 G1092 L1097 F1103	E983-T1052 PolarHBondContact OE1-OG1 3.41Å; E983-T1052 PolarHBondContact OE2-N 3.39Å; T1052-R1054 PolarHBondContact O-N 2.83Å; T1052-L1071 WeakPolarHBondContact O-CD1 3.09Å; T1052-I1090 HydrophobicContact CG2-CG2 4.39Å; T1052-V1091 PolarHBondContact N-O 2.84Å; T1052-V1091 PolarHBondContact OG1-O 3.41Å; T1052-G1092 WeakPolarHBondContact OG1-CA 3.5Å; T1052-L1097 HydrophobicContact CG2-CD1 3.77Å; T1052-L1097 HydrophobicContact CG2-CD2 4.17Å; T1052-F1103 HydrophobicContact CG2-CE1 3.97Å; T1052-F1103 HydrophobicContact CG2-CZ 4.23Å
1053	V	91.1	Very high	76.6	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.266	C	S	.	.			trans	70.8	-45.6	175.3	-172.7	0	0	0	0	115.5	W978 N980 E983 P1012 Y1013 Q1016	W978-V1053 HydrophobicContact CB-CG1 4.13Å; N980-V1053 HydrophobicContact CB-CG1 3.99Å; N980-V1053 WeakPolarHBondContact CB-O 3.21Å; N980-V1053 PolarHBondContact ND2-O 2.9Å; E983-V1053 WeakPolarHBondContact OE1-CA 3.26Å; E983-V1053 PolarHBondContact OE1-N 2.97Å; E983-V1053 WeakPolarHBondContact OE2-CA 3.36Å; E983-V1053 PolarHBondContact OE2-N 2.89Å; P1012-V1053 HydrophobicContact CG-CG2 4.32Å; Y1013-V1053 HydrophobicContact CD2-CB 3.6Å; Y1013-V1053 HydrophobicContact CD2-CG1 3.79Å; Y1013-V1053 HydrophobicContact CD2-CG2 3.76Å; Y1013-V1053 HydrophobicContact CE2-CB 3.95Å; Y1013-V1053 HydrophobicContact CE2-CG1 4.26Å; Q1016-V1053 HydrophobicContact CB-CG2 3.66Å; Q1016-V1053 HydrophobicContact CG-CG2 3.4Å; Q1016-V1053 VanDerWaalsContact CG-CG2 3.4Å
1054	R	88.9	Confident	75.3	Confident	20 Å²	20	51.2 Å²	51.2	8%	0.075	27%	0.269	C	S	.	.			trans	-74	131.2	-170	-60.8	-55.3	-62.5	-107.6	-6.4	112.1	E969 Y1013 T1052 S1067 L1068 L1071	E969-R1054 VanDerWaalsContact CD-NE 3.27Å; E969-R1054 IonicContact OE1-CZ 3.23Å; E969-R1054 VanDerWaalsContact OE1-CZ 3.26Å; E969-R1054 IonicContact OE1-NE 2.74Å; E969-R1054 PolarHBondContact OE1-NE 3.3Å; E969-R1054 VanDerWaalsContact OE1-NE 3.12Å; E969-R1054 IonicContact OE1-NH2 3.92Å; E969-R1054 PolarHBondContact OE1-NH2 2.88Å; E969-R1054 WeakPolarHBondContact OE2-CA 3.48Å; E969-R1054 VanDerWaalsContact OE2-CD 3.3Å; E969-R1054 WeakPolarHBondContact OE2-CD 3.43Å; E969-R1054 IonicContact OE2-CZ 2.74Å; E969-R1054 IonicContact OE2-NE 2.83Å; E969-R1054 PolarHBondContact OE2-NE 3.34Å; E969-R1054 IonicContact OE2-NH2 3.13Å; Y1013-R1054 HydrophobicContact CE2-CG 3.86Å; Y1013-R1054 VanDerWaalsContact OH-CD 3.3Å; Y1013-R1054 WeakPolarHBondContact OH-CD 3.39Å; Y1013-R1054 WeakPolarHBondContact OH-CG 3.28Å; T1052-R1054 PolarHBondContact O-N 2.83Å; R1054-S1067 PolarHBondContact NH2-O 2.86Å; R1054-L1068 HydrophobicContact CB-CD2 4.45Å; R1054-L1071 HydrophobicContact CB-CD1 4.2Å; R1054-L1071 HydrophobicContact CG-CD1 3.81Å
1055	S	81.6	Confident	73.7	Confident	13 Å²	13	56.7 Å²	56.7	9%	0.091	29%	0.294	C	S	.	.			trans	-145.7	34.6	-174.5	-54.2	0	0	0	0	113	G967 E969 N980 E1057 D1093	G967-S1055 WeakPolarHBondContact O-CB 3.17Å; G967-S1055 PolarHBondContact O-OG 3.28Å; E969-S1055 PolarHBondContact OE2-N 3.21Å; N980-S1055 PolarHBondContact ND2-OG 3.05Å; S1055-E1057 PolarHBondContact O-N 3.27Å; S1055-D1093 WeakPolarHBondContact CA-OD2 3.31Å
1056	S	69.8	Low	71.6	Confident	26 Å²	26	58.7 Å²	58.7	18%	0.182	31%	0.311	C	S	.	.			trans	-84.8	114.9	-177.3	-158.8	0	0	0	0	111.7	S1058 T1096	S1056-S1058 PolarHBondContact OG-O 3.14Å; S1056-T1096 PolarHBondContact N-OG1 3.12Å
1057	E	55.1	Low	69.7	Low	109 Å²	109	58 Å²	58	51%	0.509	31%	0.308	S	S	.	.			trans	-86.3	-27.2	168.4	-71.1	-177.5	179.6	0	0	112.3	R966 S1055 V1059	R966-E1057 IonicContact CZ-OE1 2.66Å; R966-E1057 IonicContact NE-OE1 3.33Å; R966-E1057 PolarHBondContact NE-OE1 3.17Å; R966-E1057 IonicContact NH2-OE1 3.63Å; R966-E1057 PolarHBondContact NH2-OE1 3.44Å; R966-E1057 IonicContact NH2-OE2 2.6Å; R966-E1057 PolarHBondContact NH2-OE2 3.04Å; S1055-E1057 PolarHBondContact O-N 3.27Å; E1057-V1059 PolarHBondContact O-N 3.15Å
1058	S	43.8	Very low	68	Low	91 Å²	91	58 Å²	58	64%	0.636	31%	0.308	S	S	*	.			trans	-86.7	106.5	174.5	49.9	0	0	0	0	109.7	S1056	S1056-S1058 PolarHBondContact OG-O 3.14Å
1059	V	43.8	Very low	66.5	Low	92 Å²	92	59 Å²	59	56%	0.558	32%	0.318	S	S	*	.				-174.9	127	121.3	-170.8	0	0	0	0	105	E1057 S1061	E1057-V1059 PolarHBondContact O-N 3.15Å; V1059-S1061 WeakPolarHBondContact CB-OG 3.45Å; V1059-S1061 VanDerWaalsContact CG1-CB 3.49Å; V1059-S1061 VanDerWaalsContact CG1-OG 3.32Å; V1059-S1061 WeakPolarHBondContact CG1-OG 3.48Å; V1059-S1061 PolarHBondContact O-N 2.77Å
1060	E	43.5	Very low	65	Low	211 Å²	211	62.3 Å²	62.3	99%	0.986	33%	0.333	S	S	*	.			trans	-63.7	31.3	163.7	-61.9	173.2	151.6	0	0	112
1061	S	43.2	Very low	63.8	Low	33 Å²	33	62.7 Å²	62.7	23%	0.231	34%	0.335	C	S	.	.			trans	-94.8	120.9	178.1	61	0	0	0	0	109	V1059 D1063 S1066	V1059-S1061 WeakPolarHBondContact CB-OG 3.45Å; V1059-S1061 VanDerWaalsContact CG1-CB 3.49Å; V1059-S1061 VanDerWaalsContact CG1-OG 3.32Å; V1059-S1061 WeakPolarHBondContact CG1-OG 3.48Å; V1059-S1061 PolarHBondContact O-N 2.77Å; S1061-D1063 PolarHBondContact O-N 2.98Å; S1061-D1063 VanDerWaalsContact O-N 3.15Å; S1061-S1066 PolarHBondContact OG-OG 2.85Å
1062	E	48.7	Very low	62.9	Low	192 Å²	192	64.1 Å²	64.1	90%	0.897	35%	0.347	S	S	*	.			trans	-65.2	-9.8	173	-65.1	-176.8	158	0	0	112.5	L1064	E1062-L1064 PolarHBondContact O-N 2.77Å; E1062-L1064 VanDerWaalsContact O-N 3.1Å
1063	D	53.1	Low	62.5	Low	112 Å²	112	67 Å²	67	60%	0.599	36%	0.362	S	S	*	.			trans	-77.7	93.8	-177.7	-74.5	-20.9	0	0	0	112.9	S1061 Q1065 S1066 S1067	S1061-D1063 PolarHBondContact O-N 2.98Å; S1061-D1063 VanDerWaalsContact O-N 3.15Å; D1063-Q1065 PolarHBondContact O-N 2.86Å; D1063-Q1065 VanDerWaalsContact O-N 3.1Å; D1063-S1066 WeakPolarHBondContact CB-OG 3.33Å; D1063-S1066 WeakPolarHBondContact O-CB 3.49Å; D1063-S1066 PolarHBondContact O-N 2.9Å; D1063-S1066 PolarHBondContact O-OG 2.85Å; D1063-S1067 PolarHBondContact O-N 2.87Å
1064	L	57.5	Low	62.6	Low	74 Å²	74	70 Å²	70	39%	0.387	38%	0.382	S	S	.	.	H	α-helix	trans	-45.7	-37.8	169.2	-99.7	130.7	0	0	0	113.7	E1062 S1066 S1067 L1068 R1099 D1100	E1062-L1064 PolarHBondContact O-N 2.77Å; E1062-L1064 VanDerWaalsContact O-N 3.1Å; L1064-S1066 VanDerWaalsContact C-N 3.34Å; L1064-S1067 PolarHBondContact O-N 2.78Å; L1064-L1068 HydrophobicContact CD2-CD1 4.24Å; L1064-L1068 PolarHBondContact O-N 2.84Å; L1064-R1099 HydrophobicContact CD2-CB 4.32Å; L1064-D1100 HydrophobicContact CD2-CB 4.41Å
1065	Q	55.1	Low	62.7	Low	165 Å²	165	70.9 Å²	70.9	77%	0.771	39%	0.386	S	S	*	.	H	α-helix	trans	-73.3	-26	-178.5	-161.5	164.1	-4.6	0	0	112.7	D1063 G1069	D1063-Q1065 PolarHBondContact O-N 2.86Å; D1063-Q1065 VanDerWaalsContact O-N 3.1Å; Q1065-G1069 WeakPolarHBondContact O-CA 3.34Å; Q1065-G1069 PolarHBondContact O-N 3.46Å
1066	S	49.8	Very low	63.2	Low	62 Å²	62	73.2 Å²	73.2	43%	0.434	39%	0.393	S	S	.	.	H	α-helix	trans	-77.1	-34.3	173.1	75.1	0	0	0	0	112.3	S1061 D1063 L1064	S1061-S1066 PolarHBondContact OG-OG 2.85Å; D1063-S1066 WeakPolarHBondContact CB-OG 3.33Å; D1063-S1066 WeakPolarHBondContact O-CB 3.49Å; D1063-S1066 PolarHBondContact O-N 2.9Å; D1063-S1066 PolarHBondContact O-OG 2.85Å; L1064-S1066 VanDerWaalsContact C-N 3.34Å
1067	S	55.7	Low	64.3	Low	11 Å²	11	72.3 Å²	72.3	8%	0.077	39%	0.386	C	S	.	.	H	α-helix	trans	-83.7	-45.4	-175.2	-179.6	0	0	0	0	113.1	R1054 D1063 L1064	R1054-S1067 PolarHBondContact NH2-O 2.86Å; D1063-S1067 PolarHBondContact O-N 2.87Å; L1064-S1067 PolarHBondContact O-N 2.78Å
1068	L	61.3	Low	66.3	Low	1 Å²	1	67.1 Å²	67.1	1%	0.005	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-12	-176.6	-72.2	173.5	0	0	0	113.3	R1054 L1064 F1070 L1071 T1096 L1097 D1100	R1054-L1068 HydrophobicContact CB-CD2 4.45Å; L1064-L1068 HydrophobicContact CD2-CD1 4.24Å; L1064-L1068 PolarHBondContact O-N 2.84Å; L1068-F1070 PolarHBondContact O-N 3.5Å; L1068-L1071 HydrophobicContact CB-CB 4.22Å; L1068-L1071 HydrophobicContact CD2-CD1 4.23Å; L1068-L1071 WeakPolarHBondContact O-CB 3.39Å; L1068-L1071 PolarHBondContact O-N 3.34Å; L1068-T1096 HydrophobicContact CD2-CG2 3.68Å; L1068-T1096 HydrophobicContact CG-CG2 4.44Å; L1068-L1097 HydrophobicContact CD2-CD2 4.01Å; L1068-D1100 HydrophobicContact CD1-CB 3.67Å
1069	G	67.4	Low	68.7	Low	21 Å²	21	62.8 Å²	62.8	22%	0.216	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	58.1	-125.8	-176.4	0	0	0	0	0	111.3	Q1065 L1071	Q1065-G1069 WeakPolarHBondContact O-CA 3.34Å; Q1065-G1069 PolarHBondContact O-N 3.46Å; G1069-L1071 VanDerWaalsContact C-N 3.34Å
1070	F	67	Low	71.1	Confident	70 Å²	70	58.6 Å²	58.6	31%	0.307	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-87.6	1.6	-176.2	56.2	-97.5	0	0	0	114.5	P1012 Y1013 L1068 N1073	P1012-F1070 HydrophobicContact CB-CD2 4.01Å; P1012-F1070 HydrophobicContact CB-CE2 3.15Å; P1012-F1070 HydrophobicContact CB-CZ 3.75Å; P1012-F1070 WeakPolarHBondContact O-CE2 3.18Å; P1012-F1070 WeakPolarHBondContact O-CZ 3.11Å; Y1013-F1070 AromaticContact CD1-CE1 3.84Å; Y1013-F1070 HydrophobicContact CD1-CE1 3.84Å; Y1013-F1070 AromaticContact CD1-CZ 3.61Å; Y1013-F1070 HydrophobicContact CD1-CZ 3.61Å; Y1013-F1070 HydrophobicContact CD2-CZ 4.37Å; Y1013-F1070 HydrophobicContact CE1-CD1 4.43Å; Y1013-F1070 AromaticContact CE1-CE1 3.31Å; Y1013-F1070 HydrophobicContact CE1-CE1 3.31Å; Y1013-F1070 AromaticContact CE1-CZ 3.43Å; Y1013-F1070 HydrophobicContact CE1-CZ 3.43Å; Y1013-F1070 VanDerWaalsContact CE1-CZ 3.43Å; Y1013-F1070 HydrophobicContact CE2-CZ 4.21Å; Y1013-F1070 HydrophobicContact CG-CZ 4.07Å; Y1013-F1070 AromaticContact CZ-CE1 3.79Å; Y1013-F1070 AromaticContact CZ-CZ 3.73Å; L1068-F1070 PolarHBondContact O-N 3.5Å; F1070-N1073 WeakPolarHBondContact O-CB 3.47Å; F1070-N1073 PolarHBondContact O-N 3.16Å
1071	L	72.9	Confident	73.6	Confident	14 Å²	14	48.7 Å²	48.7	7%	0.073	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-64.9	-28.9	167.2	-77.1	167.8	0	0	0	112.1	P1012 T1052 R1054 L1068 G1069 N1073 L1097 F1103	P1012-L1071 HydrophobicContact CB-CD2 4.01Å; P1012-L1071 HydrophobicContact CB-CG 4.35Å; P1012-L1071 HydrophobicContact CG-CD2 3.77Å; P1012-L1071 HydrophobicContact CG-CG 4.24Å; T1052-L1071 WeakPolarHBondContact O-CD1 3.09Å; R1054-L1071 HydrophobicContact CB-CD1 4.2Å; R1054-L1071 HydrophobicContact CG-CD1 3.81Å; L1068-L1071 HydrophobicContact CB-CB 4.22Å; L1068-L1071 HydrophobicContact CD2-CD1 4.23Å; L1068-L1071 WeakPolarHBondContact O-CB 3.39Å; L1068-L1071 PolarHBondContact O-N 3.34Å; G1069-L1071 VanDerWaalsContact C-N 3.34Å; L1071-N1073 PolarHBondContact O-N 3.45Å; L1071-N1073 VanDerWaalsContact O-N 3.09Å; L1071-L1097 HydrophobicContact CD1-CD2 4.4Å; L1071-F1103 HydrophobicContact CB-CE2 4.34Å; L1071-F1103 HydrophobicContact CD2-CE2 4.27Å; L1071-F1103 HydrophobicContact CD2-CZ 4.16Å
1072	A	77.4	Confident	76.1	Confident	30 Å²	30	47.5 Å²	47.5	25%	0.248	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-69.8	-0	178	0	0	0	0	0	113.7	P1074	A1072-P1074 VanDerWaalsContact O-CD 3.23Å; A1072-P1074 WeakPolarHBondContact O-CD 3.42Å
1073	N	86.4	Confident	78.3	Confident	60 Å²	60	38.5 Å²	38.5	32%	0.321	21%	0.209	S	C	.	.			trans	-80.2	113.4	179	-174.8	-59.4	0	0	0	110.5	F1070 L1071 K1075 R1076 F1077	F1070-N1073 WeakPolarHBondContact O-CB 3.47Å; F1070-N1073 PolarHBondContact O-N 3.16Å; L1071-N1073 PolarHBondContact O-N 3.45Å; L1071-N1073 VanDerWaalsContact O-N 3.09Å; N1073-K1075 VanDerWaalsContact C-N 3.26Å; N1073-K1075 PolarHBondContact O-N 2.77Å; N1073-K1075 WeakPolarHBondContact OD1-CA 3.36Å; N1073-K1075 WeakPolarHBondContact OD1-CB 3.41Å; N1073-K1075 PolarHBondContact OD1-N 3.03Å; N1073-R1076 HydrophobicContact CB-CB 4.11Å; N1073-R1076 HydrophobicContact CB-CG 4.06Å; N1073-R1076 PolarHBondContact O-N 2.76Å; N1073-R1076 VanDerWaalsContact O-N 3.14Å; N1073-R1076 PolarHBondContact OD1-N 3.1Å; N1073-R1076 VanDerWaalsContact OD1-N 3.09Å; N1073-F1077 PolarHBondContact O-N 3.22Å; N1073-F1077 VanDerWaalsContact O-N 3.09Å
1074	P	91.9	Very high	80.4	Confident	63 Å²	63	33.1 Å²	33.1	41%	0.409	18%	0.18	S	C	.	.	H	α-helix	trans	-62.3	-31.3	-175.8	22.1	-32.8	0	0	0	113.3	F930 A1072 F1077 N1078	F930-P1074 HydrophobicContact CE1-CB 3.92Å; F930-P1074 HydrophobicContact CZ-CB 4.45Å; F930-P1074 WeakPolarHBondContact CZ-O 3.11Å; A1072-P1074 VanDerWaalsContact O-CD 3.23Å; A1072-P1074 WeakPolarHBondContact O-CD 3.42Å; P1074-F1077 PolarHBondContact O-N 2.81Å; P1074-N1078 WeakPolarHBondContact O-CB 3.35Å; P1074-N1078 PolarHBondContact O-N 2.93Å
1075	K	92.1	Very high	82.2	Confident	38 Å²	38	30.8 Å²	30.8	17%	0.165	17%	0.167	C	C	.	.	H	α-helix	trans	-71.1	-38.9	178.3	-64.8	175.8	169	-161.7	0	111.7	P866 Q868 E889 N1073 N1078 V1079	P866-K1075 VanDerWaalsContact O-CE 3.23Å; P866-K1075 WeakPolarHBondContact O-CE 3.46Å; P866-K1075 PolarHBondContact O-NZ 3.26Å; P866-K1075 VanDerWaalsContact O-NZ 3.16Å; Q868-K1075 VanDerWaalsContact O-CD 3.28Å; Q868-K1075 WeakPolarHBondContact O-CD 3.45Å; E889-K1075 IonicContact OE1-NZ 2.9Å; E889-K1075 PolarHBondContact OE1-NZ 3.1Å; E889-K1075 IonicContact OE2-NZ 3Å; E889-K1075 PolarHBondContact OE2-NZ 3.04Å; N1073-K1075 VanDerWaalsContact C-N 3.26Å; N1073-K1075 PolarHBondContact O-N 2.77Å; N1073-K1075 WeakPolarHBondContact OD1-CA 3.36Å; N1073-K1075 WeakPolarHBondContact OD1-CB 3.41Å; N1073-K1075 PolarHBondContact OD1-N 3.03Å; K1075-N1078 PolarHBondContact O-N 3.17Å; K1075-V1079 WeakPolarHBondContact O-CG2 3.43Å; K1075-V1079 PolarHBondContact O-N 2.9Å
1076	R	91	Very high	84.1	Confident	63 Å²	63	23 Å²	23	24%	0.238	13%	0.13	C	C	.	.	H	α-helix	trans	-63	-45.5	173.3	-74.9	-177.6	-173.2	-166.2	2.3	111	L869 V1037 E1038 N1073 V1079 A1080	L869-R1076 HydrophobicContact CD2-CB 4.5Å; L869-R1076 HydrophobicContact CD2-CG 3.41Å; L869-R1076 VanDerWaalsContact CD2-CG 3.41Å; L869-R1076 HydrophobicContact CG-CG 4.18Å; V1037-R1076 HydrophobicContact CG1-CB 4.38Å; V1037-R1076 WeakPolarHBondContact CG1-O 3.28Å; E1038-R1076 IonicContact OE1-CZ 3.12Å; E1038-R1076 IonicContact OE1-NE 3.26Å; E1038-R1076 PolarHBondContact OE1-NE 2.79Å; E1038-R1076 VanDerWaalsContact OE1-NE 3.17Å; E1038-R1076 IonicContact OE1-NH1 3.89Å; E1038-R1076 IonicContact OE1-NH2 3.68Å; E1038-R1076 PolarHBondContact OE1-NH2 3.29Å; N1073-R1076 HydrophobicContact CB-CB 4.11Å; N1073-R1076 HydrophobicContact CB-CG 4.06Å; N1073-R1076 PolarHBondContact O-N 2.76Å; N1073-R1076 VanDerWaalsContact O-N 3.14Å; N1073-R1076 PolarHBondContact OD1-N 3.1Å; N1073-R1076 VanDerWaalsContact OD1-N 3.09Å; R1076-V1079 PolarHBondContact O-N 3.07Å; R1076-A1080 WeakPolarHBondContact O-CB 3.18Å; R1076-A1080 PolarHBondContact O-N 2.79Å
1077	F	94.1	Very high	86.4	Confident	7 Å²	7	20 Å²	20	3%	0.031	11%	0.109	C	C	.	.	H	α-helix	trans	-56	-52.3	174.8	177.1	-89.1	0	0	0	111.2	L929 F930 N1073 P1074 V1079 A1080 I1081 C1102 F1103 L1106	L929-F1077 HydrophobicContact CD1-CE1 4.05Å; F930-F1077 AromaticContact CE2-CD1 3.86Å; F930-F1077 HydrophobicContact CE2-CD1 3.86Å; F930-F1077 HydrophobicContact CE2-CE1 4.15Å; F930-F1077 AromaticContact CZ-CD1 3.79Å; F930-F1077 HydrophobicContact CZ-CD1 3.79Å; F930-F1077 HydrophobicContact CZ-CE1 4.38Å; N1073-F1077 PolarHBondContact O-N 3.22Å; N1073-F1077 VanDerWaalsContact O-N 3.09Å; P1074-F1077 PolarHBondContact O-N 2.81Å; F1077-V1079 VanDerWaalsContact C-N 3.35Å; F1077-V1079 PolarHBondContact O-N 2.83Å; F1077-A1080 PolarHBondContact O-N 2.83Å; F1077-A1080 VanDerWaalsContact O-N 3.16Å; F1077-I1081 HydrophobicContact CD1-CD1 4.09Å; F1077-I1081 HydrophobicContact CD1-CG1 4.41Å; F1077-I1081 HydrophobicContact CE1-CD1 3.37Å; F1077-I1081 HydrophobicContact CE1-CG1 4.12Å; F1077-I1081 HydrophobicContact CE1-CG2 4.38Å; F1077-I1081 HydrophobicContact CE2-CG2 4.15Å; F1077-I1081 HydrophobicContact CZ-CD1 3.82Å; F1077-I1081 HydrophobicContact CZ-CG2 4.06Å; F1077-I1081 WeakPolarHBondContact O-CG1 3.36Å; F1077-I1081 PolarHBondContact O-N 3.37Å; F1077-C1102 HydrophobicContact CB-CB 4.38Å; F1077-C1102 HydrophobicContact CD1-CB 3.63Å; F1077-C1102 HydrophobicContact CD2-CB 3.93Å; F1077-C1102 HydrophobicContact CE1-CB 3.77Å; F1077-C1102 HydrophobicContact CE2-CB 4.08Å; F1077-C1102 HydrophobicContact CG-CB 3.71Å; F1077-C1102 HydrophobicContact CZ-CB 4Å; F1077-F1103 HydrophobicContact CD2-CD1 4.29Å; F1077-F1103 AromaticContact CD2-CD2 3.99Å; F1077-F1103 HydrophobicContact CD2-CD2 3.99Å; F1077-F1103 HydrophobicContact CD2-CE1 4.08Å; F1077-F1103 AromaticContact CD2-CE2 3.77Å; F1077-F1103 HydrophobicContact CD2-CE2 3.77Å; F1077-F1103 HydrophobicContact CD2-CG 4.24Å; F1077-F1103 AromaticContact CD2-CZ 3.83Å; F1077-F1103 HydrophobicContact CD2-CZ 3.83Å; F1077-F1103 AromaticContact CE2-CD1 3.93Å; F1077-F1103 HydrophobicContact CE2-CD1 3.93Å; F1077-F1103 HydrophobicContact CE2-CD2 4.29Å; F1077-F1103 HydrophobicContact CE2-CE1 4.01Å; F1077-F1103 HydrophobicContact CE2-CE2 4.37Å; F1077-F1103 HydrophobicContact CE2-CG 4.07Å; F1077-F1103 HydrophobicContact CE2-CZ 4.24Å; F1077-L1106 HydrophobicContact CE2-CB 4.3Å; F1077-L1106 HydrophobicContact CE2-CD2 3.82Å; F1077-L1106 HydrophobicContact CZ-CB 3.96Å; F1077-L1106 HydrophobicContact CZ-CD2 4.06Å; F1077-L1106 HydrophobicContact CZ-CG 4.44Å
1078	N	95.8	Very high	88.4	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-56.3	-46.1	178.3	-174	15.9	0	0	0	112.2	C867 F930 Y931 P1074 K1075 T1082	C867-N1078 PolarHBondContact O-ND2 3.46Å; F930-N1078 HydrophobicContact CD1-CB 4.33Å; F930-N1078 HydrophobicContact CD2-CB 3.69Å; F930-N1078 VanDerWaalsContact CD2-CG 3.41Å; F930-N1078 HydrophobicContact CE1-CB 4.2Å; F930-N1078 HydrophobicContact CE2-CB 3.54Å; F930-N1078 HydrophobicContact CG-CB 4.09Å; F930-N1078 HydrophobicContact CZ-CB 3.83Å; Y931-N1078 PolarHBondContact OH-ND2 3.06Å; P1074-N1078 WeakPolarHBondContact O-CB 3.35Å; P1074-N1078 PolarHBondContact O-N 2.93Å; K1075-N1078 PolarHBondContact O-N 3.17Å; N1078-T1082 WeakPolarHBondContact O-CB 3.41Å; N1078-T1082 WeakPolarHBondContact O-CG2 3.5Å; N1078-T1082 PolarHBondContact O-N 3.33Å; N1078-T1082 PolarHBondContact O-OG1 2.94Å; N1078-T1082 WeakPolarHBondContact OD1-CG2 3.42Å
1079	V	94.3	Very high	90.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.5	-50.9	176.5	172.9	0	0	0	0	110.6	Q868 L869 V1037 Q1041 K1075 R1076 F1077 I1081 T1082 R1083	Q868-V1079 HydrophobicContact CB-CG2 3.8Å; Q868-V1079 HydrophobicContact CG-CG2 3.69Å; L869-V1079 HydrophobicContact CB-CG2 4.06Å; L869-V1079 HydrophobicContact CD1-CB 4.46Å; L869-V1079 HydrophobicContact CD1-CG1 4.44Å; L869-V1079 HydrophobicContact CD1-CG2 4.2Å; L869-V1079 HydrophobicContact CG-CG2 3.92Å; V1037-V1079 HydrophobicContact CG1-CB 3.73Å; V1037-V1079 HydrophobicContact CG1-CG1 3.6Å; Q1041-V1079 HydrophobicContact CB-CG1 4.43Å; K1075-V1079 WeakPolarHBondContact O-CG2 3.43Å; K1075-V1079 PolarHBondContact O-N 2.9Å; R1076-V1079 PolarHBondContact O-N 3.07Å; F1077-V1079 VanDerWaalsContact C-N 3.35Å; F1077-V1079 PolarHBondContact O-N 2.83Å; V1079-I1081 PolarHBondContact O-N 2.8Å; V1079-T1082 PolarHBondContact O-N 2.82Å; V1079-T1082 PolarHBondContact O-OG1 3.27Å; V1079-R1083 WeakPolarHBondContact O-CD 3.24Å; V1079-R1083 VanDerWaalsContact O-CG 3.26Å; V1079-R1083 WeakPolarHBondContact O-CG 3.36Å; V1079-R1083 PolarHBondContact O-N 2.83Å; V1079-R1083 PolarHBondContact O-NE 3.46Å
1080	A	94.4	Very high	91.7	Very high	3 Å²	3	18.6 Å²	18.6	3%	0.025	10%	0.096	C	C	.	.	H	α-helix	trans	-57.3	-47.7	-176	0	0	0	0	0	112.4	V1037 L1050 R1076 F1077 T1082	V1037-A1080 HydrophobicContact CG1-CB 4.47Å; V1037-A1080 HydrophobicContact CG2-CB 4.41Å; L1050-A1080 HydrophobicContact CD1-CB 4.29Å; L1050-A1080 HydrophobicContact CD2-CB 4.25Å; R1076-A1080 WeakPolarHBondContact O-CB 3.18Å; R1076-A1080 PolarHBondContact O-N 2.79Å; F1077-A1080 PolarHBondContact O-N 2.83Å; F1077-A1080 VanDerWaalsContact O-N 3.16Å; A1080-T1082 VanDerWaalsContact C-N 3.31Å; A1080-T1082 PolarHBondContact O-N 3.46Å
1081	I	95.5	Very high	93.1	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-79.9	-9.3	-176.2	70.4	163.3	0	0	0	114.1	P926 F1077 V1079 P1084 L1088	P926-I1081 HydrophobicContact CB-CD1 3.99Å; P926-I1081 HydrophobicContact CB-CG1 4.43Å; P926-I1081 HydrophobicContact CG-CD1 3.63Å; P926-I1081 HydrophobicContact CG-CG1 4.09Å; F1077-I1081 HydrophobicContact CD1-CD1 4.09Å; F1077-I1081 HydrophobicContact CD1-CG1 4.41Å; F1077-I1081 HydrophobicContact CE1-CD1 3.37Å; F1077-I1081 HydrophobicContact CE1-CG1 4.12Å; F1077-I1081 HydrophobicContact CE1-CG2 4.38Å; F1077-I1081 HydrophobicContact CE2-CG2 4.15Å; F1077-I1081 HydrophobicContact CZ-CD1 3.82Å; F1077-I1081 HydrophobicContact CZ-CG2 4.06Å; F1077-I1081 WeakPolarHBondContact O-CG1 3.36Å; F1077-I1081 PolarHBondContact O-N 3.37Å; V1079-I1081 PolarHBondContact O-N 2.8Å; I1081-P1084 WeakPolarHBondContact O-CD 3.5Å; I1081-L1088 HydrophobicContact CB-CD2 3.89Å; I1081-L1088 HydrophobicContact CG2-CD2 4.09Å
1082	T	95.7	Very high	94.1	Very high	7 Å²	7	14.6 Å²	14.6	4%	0.043	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	9.4	179.4	59.9	0	0	0	0	114.2	P722 R917 P926 N1078 V1079 A1080	P722-T1082 VanDerWaalsContact CG-CB 3.5Å; P722-T1082 HydrophobicContact CG-CG2 3.69Å; P722-T1082 WeakPolarHBondContact CG-OG1 3.32Å; R917-T1082 PolarHBondContact NH1-O 3.14Å; R917-T1082 VanDerWaalsContact NH1-O 3.07Å; P926-T1082 HydrophobicContact CB-CG2 3.69Å; P926-T1082 HydrophobicContact CG-CG2 3.8Å; N1078-T1082 WeakPolarHBondContact O-CB 3.41Å; N1078-T1082 WeakPolarHBondContact O-CG2 3.5Å; N1078-T1082 PolarHBondContact O-N 3.33Å; N1078-T1082 PolarHBondContact O-OG1 2.94Å; N1078-T1082 WeakPolarHBondContact OD1-CG2 3.42Å; V1079-T1082 PolarHBondContact O-N 2.82Å; V1079-T1082 PolarHBondContact O-OG1 3.27Å; A1080-T1082 VanDerWaalsContact C-N 3.31Å; A1080-T1082 PolarHBondContact O-N 3.46Å
1083	R	95.2	Very high	94.9	Very high	3 Å²	3	13.3 Å²	13.3	1%	0.011	7%	0.067	C	C	.	.	S	Bend	trans	-77.8	-33.2	170.2	-62.9	-42.3	83.1	179	12.7	115.5	I1010 F1040 Q1043 E1044 F1045 I1048 V1079	I1010-R1083 HydrophobicContact CD1-CB 4.25Å; I1010-R1083 HydrophobicContact CD1-CG 3.76Å; F1040-R1083 HydrophobicContact CB-CG 4.3Å; F1040-R1083 WeakPolarHBondContact O-CD 3.45Å; Q1043-R1083 WeakPolarHBondContact O-CD 3.45Å; Q1043-R1083 PolarHBondContact O-NH1 2.97Å; E1044-R1083 WeakPolarHBondContact CA-O 3.48Å; F1045-R1083 PolarHBondContact N-O 2.96Å; I1048-R1083 HydrophobicContact CD1-CB 3.75Å; I1048-R1083 HydrophobicContact CG1-CB 3.66Å; V1079-R1083 WeakPolarHBondContact O-CD 3.24Å; V1079-R1083 VanDerWaalsContact O-CG 3.26Å; V1079-R1083 WeakPolarHBondContact O-CG 3.36Å; V1079-R1083 PolarHBondContact O-N 2.83Å; V1079-R1083 PolarHBondContact O-NE 3.46Å
1084	P	96.9	Very high	95.1	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	147.3	-174.2	25.4	-26.4	0	0	0	112.8	S918 L922 F1045 I1048 I1081 L1087 L1088	S918-P1084 WeakPolarHBondContact CB-O 3.26Å; S918-P1084 PolarHBondContact OG-O 3.4Å; L922-P1084 HydrophobicContact CD1-CB 4.17Å; L922-P1084 HydrophobicContact CD1-CG 4.19Å; L922-P1084 HydrophobicContact CD2-CG 4.46Å; F1045-P1084 CarbonylContact O-C 3.57Å; F1045-P1084 WeakPolarHBondContact O-CA 3.24Å; I1048-P1084 HydrophobicContact CB-CB 3.9Å; I1048-P1084 HydrophobicContact CB-CG 4.18Å; I1048-P1084 HydrophobicContact CG1-CB 3.8Å; I1048-P1084 HydrophobicContact CG1-CG 4.26Å; I1081-P1084 WeakPolarHBondContact O-CD 3.5Å; P1084-L1087 VanDerWaalsContact CB-O 3.24Å; P1084-L1087 WeakPolarHBondContact CB-O 3.44Å; P1084-L1088 HydrophobicContact CB-CB 4.36Å; P1084-L1088 HydrophobicContact CG-CB 3.8Å; P1084-L1088 HydrophobicContact CG-CD1 4.19Å; P1084-L1088 HydrophobicContact CG-CD2 4.17Å; P1084-L1088 HydrophobicContact CG-CG 4.27Å
1085	K	96.3	Very high	95	Very high	25 Å²	25	9.7 Å²	9.7	11%	0.109	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-49.6	170.7	-62.7	179.8	178.5	-174.9	0	111.8	R917 S918 H919 I943 V944 E1044 F1045 L1046	R917-K1085 HydrophobicContact CG-CG 3.88Å; R917-K1085 WeakPolarHBondContact O-CA 3.38Å; R917-K1085 WeakPolarHBondContact O-CB 3.26Å; R917-K1085 WeakPolarHBondContact O-CG 3.2Å; S918-K1085 WeakPolarHBondContact CA-O 3.27Å; H919-K1085 PolarHBondContact N-O 2.8Å; I943-K1085 HydrophobicContact CG2-CD 4.36Å; V944-K1085 WeakPolarHBondContact CG1-O 3.42Å; E1044-K1085 WeakPolarHBondContact OE1-CE 3.13Å; E1044-K1085 IonicContact OE1-NZ 3.36Å; E1044-K1085 PolarHBondContact OE1-NZ 2.86Å; F1045-K1085 WeakPolarHBondContact O-CG 3.35Å; F1045-K1085 PolarHBondContact O-N 2.94Å; L1046-K1085 HydrophobicContact CD1-CB 4.4Å
1086	A	96.1	Very high	94.8	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	-17.8	-166.6	0	0	0	0	0	114.8	I943 L947 P959 L1046	I943-A1086 WeakPolarHBondContact O-CB 3.01Å; L947-A1086 HydrophobicContact CD1-CB 4.28Å; P959-A1086 WeakPolarHBondContact CB-O 3.48Å; L1046-A1086 HydrophobicContact CD1-CB 3.51Å; L1046-A1086 HydrophobicContact CG-CB 3.95Å; L1046-A1086 PolarHBondContact O-N 3.5Å
1087	L	97.3	Very high	94.7	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	134	177	179.7	60.6	0	0	0	111.9	L947 W950 L953 P959 F961 L994 L1046 V1047 I1048 P1084 I1089	L947-L1087 HydrophobicContact CB-CB 4.31Å; L947-L1087 HydrophobicContact CD1-CB 3.75Å; L947-L1087 HydrophobicContact CD1-CD2 4.1Å; W950-L1087 HydrophobicContact CE3-CD2 3.88Å; W950-L1087 HydrophobicContact CZ3-CD2 4.02Å; L953-L1087 HydrophobicContact CD1-CD1 3.86Å; P959-L1087 HydrophobicContact CB-CD1 4.25Å; P959-L1087 WeakPolarHBondContact O-CA 3.44Å; P959-L1087 WeakPolarHBondContact O-CD1 3.31Å; F961-L1087 HydrophobicContact CE1-CD1 4.37Å; L994-L1087 HydrophobicContact CD2-CD2 4.26Å; L1046-L1087 PolarHBondContact O-N 2.83Å; V1047-L1087 WeakPolarHBondContact CA-O 3.29Å; V1047-L1087 HydrophobicContact CG1-CB 4.11Å; V1047-L1087 HydrophobicContact CG1-CD2 4.03Å; V1047-L1087 HydrophobicContact CG1-CG 4.12Å; V1047-L1087 HydrophobicContact CG2-CB 4.13Å; V1047-L1087 HydrophobicContact CG2-CD2 4.42Å; I1048-L1087 PolarHBondContact N-O 2.82Å; P1084-L1087 VanDerWaalsContact CB-O 3.24Å; P1084-L1087 WeakPolarHBondContact CB-O 3.44Å; L1087-I1089 HydrophobicContact CD1-CG1 4.37Å; L1087-I1089 HydrophobicContact CD2-CD1 4.08Å; L1087-I1089 HydrophobicContact CD2-CG1 4.16Å; L1087-I1089 HydrophobicContact CG-CD1 4.49Å; L1087-I1089 HydrophobicContact CG-CG1 4.02Å
1088	L	98.3	Very high	94.5	Very high	4 Å²	4	5.5 Å²	5.5	2%	0.021	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	120.9	169.4	-179.2	50.4	0	0	0	110.3	L922 P959 L960 F961 I1048 I1081 P1084 I1090	L922-L1088 HydrophobicContact CD2-CB 3.46Å; L922-L1088 VanDerWaalsContact CD2-CB 3.46Å; L922-L1088 HydrophobicContact CD2-CD2 4.37Å; P959-L1088 PolarHBondContact O-N 3.29Å; P959-L1088 VanDerWaalsContact O-N 3.08Å; L960-L1088 WeakPolarHBondContact CA-O 3.35Å; L960-L1088 HydrophobicContact CD1-CB 3.72Å; L960-L1088 HydrophobicContact CD1-CD2 3.72Å; L960-L1088 HydrophobicContact CD1-CG 3.67Å; F961-L1088 PolarHBondContact N-O 3.33Å; F961-L1088 VanDerWaalsContact N-O 3.15Å; I1048-L1088 HydrophobicContact CB-CD1 4.05Å; I1048-L1088 HydrophobicContact CG2-CD1 3.82Å; I1048-L1088 WeakPolarHBondContact O-CA 3.44Å; I1081-L1088 HydrophobicContact CB-CD2 3.89Å; I1081-L1088 HydrophobicContact CG2-CD2 4.09Å; P1084-L1088 HydrophobicContact CB-CB 4.36Å; P1084-L1088 HydrophobicContact CG-CB 3.8Å; P1084-L1088 HydrophobicContact CG-CD1 4.19Å; P1084-L1088 HydrophobicContact CG-CD2 4.17Å; P1084-L1088 HydrophobicContact CG-CG 4.27Å; L1088-I1090 HydrophobicContact CD1-CG1 4.02Å; L1088-I1090 HydrophobicContact CD2-CD1 4.05Å; L1088-I1090 HydrophobicContact CD2-CG1 4.4Å; L1088-I1090 HydrophobicContact CG-CD1 4.06Å; L1088-I1090 HydrophobicContact CG-CG1 3.89Å
1089	I	98.2	Very high	94	Very high	0 Å²	0	10 Å²	10	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.9	172.7	-50.5	-176.1	0	0	0	107.8	W950 F961 Y990 L994 I1048 I1049 L1050 L1087 V1091	W950-I1089 HydrophobicContact CH2-CD1 4.06Å; W950-I1089 HydrophobicContact CZ3-CD1 4.05Å; F961-I1089 HydrophobicContact CD1-CG1 4.47Å; F961-I1089 HydrophobicContact CE1-CB 4.31Å; F961-I1089 HydrophobicContact CE1-CD1 3.98Å; F961-I1089 HydrophobicContact CE1-CG1 3.61Å; F961-I1089 HydrophobicContact CE1-CG2 4.17Å; F961-I1089 HydrophobicContact CE2-CG2 3.83Å; F961-I1089 HydrophobicContact CZ-CB 4.2Å; F961-I1089 HydrophobicContact CZ-CD1 3.87Å; F961-I1089 HydrophobicContact CZ-CG1 3.79Å; F961-I1089 HydrophobicContact CZ-CG2 3.59Å; Y990-I1089 HydrophobicContact CD1-CD1 4.13Å; Y990-I1089 HydrophobicContact CD2-CG2 3.92Å; Y990-I1089 HydrophobicContact CE2-CG2 3.87Å; Y990-I1089 HydrophobicContact CG-CD1 4.12Å; Y990-I1089 HydrophobicContact CG-CG2 4.39Å; L994-I1089 HydrophobicContact CD1-CD1 4.21Å; I1048-I1089 PolarHBondContact O-N 2.82Å; I1049-I1089 CarbonylContact C-O 3.41Å; I1049-I1089 VanDerWaalsContact CA-O 3.3Å; I1049-I1089 WeakPolarHBondContact CA-O 3.49Å; I1049-I1089 HydrophobicContact CG1-CB 4.24Å; I1049-I1089 HydrophobicContact CG1-CD1 4.34Å; I1049-I1089 HydrophobicContact CG2-CB 4.32Å; I1049-I1089 HydrophobicContact CG2-CG2 4.44Å; L1050-I1089 PolarHBondContact N-O 2.89Å; L1087-I1089 HydrophobicContact CD1-CG1 4.37Å; L1087-I1089 HydrophobicContact CD2-CD1 4.08Å; L1087-I1089 HydrophobicContact CD2-CG1 4.16Å; L1087-I1089 HydrophobicContact CG-CD1 4.49Å; L1087-I1089 HydrophobicContact CG-CG1 4.02Å; I1089-V1091 HydrophobicContact CG2-CG2 4.25Å
1090	I	98.1	Very high	93.8	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	125.7	178.8	-52.1	176.7	0	0	0	107.7	L960 F961 F962 H963 L1050 T1052 L1088 L1106	L960-I1090 HydrophobicContact CD1-CD1 4.2Å; F961-I1090 PolarHBondContact O-N 3.08Å; F961-I1090 VanDerWaalsContact O-N 3.1Å; F962-I1090 CarbonylContact C-O 3.58Å; F962-I1090 HydrophobicContact CD2-CB 3.8Å; F962-I1090 HydrophobicContact CD2-CG2 3.57Å; F962-I1090 HydrophobicContact CE2-CB 4.29Å; F962-I1090 HydrophobicContact CE2-CG2 3.57Å; H963-I1090 PolarHBondContact N-O 2.85Å; L1050-I1090 HydrophobicContact CB-CG1 4.35Å; L1050-I1090 HydrophobicContact CB-CG2 4.39Å; L1050-I1090 HydrophobicContact CD2-CG2 4.19Å; L1050-I1090 HydrophobicContact CG-CG2 4.4Å; L1050-I1090 CarbonylContact O-C 3.51Å; L1050-I1090 WeakPolarHBondContact O-CA 3.36Å; T1052-I1090 HydrophobicContact CG2-CG2 4.39Å; L1088-I1090 HydrophobicContact CD1-CG1 4.02Å; L1088-I1090 HydrophobicContact CD2-CD1 4.05Å; L1088-I1090 HydrophobicContact CD2-CG1 4.4Å; L1088-I1090 HydrophobicContact CG-CD1 4.06Å; L1088-I1090 HydrophobicContact CG-CG1 3.89Å; I1090-L1106 HydrophobicContact CD1-CD1 3.95Å; I1090-L1106 HydrophobicContact CD1-CD2 3.3Å; I1090-L1106 HydrophobicContact CD1-CG 4.06Å
1091	V	97.4	Very high	93.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	121.4	-179.3	-174.7	0	0	0	0	107.5	H963 V965 E983 Q986 V987 Y990 I1049 L1050 S1051 T1052 I1089	H963-V1091 WeakPolarHBondContact O-CA 3.26Å; V965-V1091 HydrophobicContact CG2-CG1 3.61Å; E983-V1091 HydrophobicContact CB-CG1 4.18Å; E983-V1091 HydrophobicContact CG-CG1 4.1Å; Q986-V1091 HydrophobicContact CB-CG1 4.07Å; Q986-V1091 HydrophobicContact CG-CG1 3.96Å; Q986-V1091 HydrophobicContact CG-CG2 4.42Å; V987-V1091 HydrophobicContact CG2-CB 4.27Å; V987-V1091 HydrophobicContact CG2-CG2 4.08Å; Y990-V1091 HydrophobicContact CD2-CG2 4.18Å; Y990-V1091 HydrophobicContact CE2-CG2 4.06Å; I1049-V1091 HydrophobicContact CG2-CG2 4.31Å; L1050-V1091 PolarHBondContact O-N 2.94Å; S1051-V1091 WeakPolarHBondContact CA-O 3.34Å; T1052-V1091 PolarHBondContact N-O 2.84Å; T1052-V1091 PolarHBondContact OG1-O 3.41Å; I1089-V1091 HydrophobicContact CG2-CG2 4.25Å
1092	G	94.7	Very high	93.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.7	169.5	-174	0	0	0	0	0	115.4	F962 H963 G964 V965 T1052 P1094	F962-G1092 WeakPolarHBondContact CE1-O 3.3Å; F962-G1092 WeakPolarHBondContact CZ-O 3.48Å; H963-G1092 PolarHBondContact O-N 2.64Å; G964-G1092 CarbonylContact C-O 3.31Å; G964-G1092 WeakPolarHBondContact CA-O 3.27Å; V965-G1092 PolarHBondContact N-O 3.19Å; V965-G1092 CarbonylContact O-C 3.6Å; T1052-G1092 WeakPolarHBondContact OG1-CA 3.5Å; G1092-P1094 VanDerWaalsContact O-CD 3.31Å; G1092-P1094 WeakPolarHBondContact O-CD 3.47Å
1093	D	92.6	Very high	93.4	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.011	8%	0.075	C	C	.	.			trans	-83.1	110.3	174.8	-171.2	-17.2	0	0	0	111.3	V965 S1055 H1095 T1096 L1097	V965-D1093 VanDerWaalsContact O-CA 3.26Å; V965-D1093 WeakPolarHBondContact O-CA 3.42Å; V965-D1093 WeakPolarHBondContact O-CB 3.26Å; V965-D1093 PolarHBondContact O-N 2.89Å; S1055-D1093 WeakPolarHBondContact CA-OD2 3.31Å; D1093-H1095 VanDerWaalsContact C-N 3.26Å; D1093-H1095 PolarHBondContact O-N 3.41Å; D1093-H1095 WeakPolarHBondContact OD1-CB 3.12Å; D1093-H1095 IonicContact OD1-CG 3.93Å; D1093-H1095 PolarHBondContact OD1-N 3.04Å; D1093-H1095 IonicContact OD1-ND1 3.62Å; D1093-T1096 PolarHBondContact O-N 3.46Å; D1093-T1096 PolarHBondContact OD2-OG1 2.7Å; D1093-L1097 WeakPolarHBondContact O-CB 3.42Å; D1093-L1097 WeakPolarHBondContact O-CD1 3.45Å; D1093-L1097 WeakPolarHBondContact O-CG 3.43Å; D1093-L1097 PolarHBondContact O-N 3.04Å; D1093-L1097 VanDerWaalsContact O-N 3.09Å
1094	P	92.3	Very high	93.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-67.3	-25.7	-178.9	32.4	-37.9	0	0	0	112.7	F962 G1092 I1098 L1107 Y1116 C1119 P1122	F962-P1094 HydrophobicContact CE1-CB 3.9Å; F962-P1094 HydrophobicContact CE1-CG 4.4Å; F962-P1094 HydrophobicContact CZ-CB 4.39Å; G1092-P1094 VanDerWaalsContact O-CD 3.31Å; G1092-P1094 WeakPolarHBondContact O-CD 3.47Å; P1094-I1098 WeakPolarHBondContact O-CB 3.4Å; P1094-I1098 PolarHBondContact O-N 3.29Å; P1094-I1098 VanDerWaalsContact O-N 3.08Å; P1094-L1107 HydrophobicContact CB-CD1 4.32Å; P1094-L1107 HydrophobicContact CB-CD2 3.97Å; P1094-Y1116 HydrophobicContact CB-CE2 4.21Å; P1094-Y1116 HydrophobicContact CG-CE2 4.44Å; P1094-Y1116 WeakPolarHBondContact CG-OH 3.43Å; P1094-C1119 VanDerWaalsContact CG-SG 3.6Å; P1094-P1122 VanDerWaalsContact C-CG 3.49Å; P1094-P1122 HydrophobicContact CB-CG 3.88Å; P1094-P1122 HydrophobicContact CG-CG 4.3Å; P1094-P1122 WeakPolarHBondContact O-CG 3.36Å
1095	H	87.9	Confident	93.2	Very high	47 Å²	47	20.7 Å²	20.7	22%	0.218	10%	0.102	C	C	.	.	H	α-helix	trans	-74.5	-33.3	-177.6	-66.2	81.7	0	0	0	112.3	D1093 I1098 D1120 P1122	D1093-H1095 VanDerWaalsContact C-N 3.26Å; D1093-H1095 PolarHBondContact O-N 3.41Å; D1093-H1095 WeakPolarHBondContact OD1-CB 3.12Å; D1093-H1095 IonicContact OD1-CG 3.93Å; D1093-H1095 PolarHBondContact OD1-N 3.04Å; D1093-H1095 IonicContact OD1-ND1 3.62Å; H1095-I1098 WeakPolarHBondContact O-CG2 3.3Å; H1095-D1120 PolarHBondContact CE1-O 3.49Å; H1095-D1120 IonicContact NE2-OD2 3.8Å; H1095-P1122 HydrophobicContact CB-CG 4.41Å
1096	T	88.4	Confident	93.2	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	10%	0.097	C	C	.	.	H	α-helix	trans	-78	-44.9	171.6	-47.1	0	0	0	0	110.8	S1056 L1068 D1093 I1098 R1099	S1056-T1096 PolarHBondContact N-OG1 3.12Å; L1068-T1096 HydrophobicContact CD2-CG2 3.68Å; L1068-T1096 HydrophobicContact CG-CG2 4.44Å; D1093-T1096 PolarHBondContact O-N 3.46Å; D1093-T1096 PolarHBondContact OD2-OG1 2.7Å; T1096-I1098 PolarHBondContact O-N 2.89Å; T1096-R1099 PolarHBondContact O-N 3.12Å
1097	L	90.3	Very high	93.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-70.4	-27.3	-172.1	-68.8	170.8	0	0	0	114.4	F962 T1052 L1068 L1071 D1093 R1099 D1100 F1103 L1107	F962-L1097 HydrophobicContact CE2-CD1 3.81Å; F962-L1097 HydrophobicContact CZ-CD1 3.68Å; T1052-L1097 HydrophobicContact CG2-CD1 3.77Å; T1052-L1097 HydrophobicContact CG2-CD2 4.17Å; L1068-L1097 HydrophobicContact CD2-CD2 4.01Å; L1071-L1097 HydrophobicContact CD1-CD2 4.4Å; D1093-L1097 WeakPolarHBondContact O-CB 3.42Å; D1093-L1097 WeakPolarHBondContact O-CD1 3.45Å; D1093-L1097 WeakPolarHBondContact O-CG 3.43Å; D1093-L1097 PolarHBondContact O-N 3.04Å; D1093-L1097 VanDerWaalsContact O-N 3.09Å; L1097-R1099 PolarHBondContact O-N 3.4Å; L1097-D1100 PolarHBondContact O-N 2.82Å; L1097-F1103 HydrophobicContact CB-CB 4.04Å; L1097-F1103 HydrophobicContact CB-CD1 4.43Å; L1097-F1103 HydrophobicContact CB-CG 4.27Å; L1097-F1103 HydrophobicContact CD1-CD1 4.18Å; L1097-F1103 HydrophobicContact CD1-CE1 4.44Å; L1097-F1103 HydrophobicContact CD2-CD1 4.04Å; L1097-F1103 HydrophobicContact CD2-CD2 4.08Å; L1097-F1103 HydrophobicContact CD2-CE1 4.17Å; L1097-F1103 HydrophobicContact CD2-CE2 4.2Å; L1097-F1103 HydrophobicContact CD2-CG 4Å; L1097-F1103 HydrophobicContact CD2-CZ 4.25Å; L1097-F1103 HydrophobicContact CG-CD1 4.46Å; L1097-F1103 WeakPolarHBondContact O-CB 3.45Å; L1097-L1107 HydrophobicContact CB-CD1 4.28Å
1098	I	89.7	Confident	93	Very high	20 Å²	20	22.9 Å²	22.9	10%	0.103	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.7	179.4	-160.4	165.7	0	0	0	113.8	P1094 H1095 T1096 D1100 R1104 L1107 P1122 A1124 L1125	P1094-I1098 WeakPolarHBondContact O-CB 3.4Å; P1094-I1098 PolarHBondContact O-N 3.29Å; P1094-I1098 VanDerWaalsContact O-N 3.08Å; H1095-I1098 WeakPolarHBondContact O-CG2 3.3Å; T1096-I1098 PolarHBondContact O-N 2.89Å; I1098-D1100 VanDerWaalsContact C-N 3.32Å; I1098-R1104 HydrophobicContact CG1-CB 4.44Å; I1098-R1104 HydrophobicContact CG1-CG 4.12Å; I1098-R1104 VanDerWaalsContact O-CZ 3.29Å; I1098-R1104 PolarHBondContact O-NE 3.02Å; I1098-R1104 PolarHBondContact O-NH2 2.76Å; I1098-L1107 HydrophobicContact CB-CD1 4.13Å; I1098-P1122 HydrophobicContact CD1-CB 3.73Å; I1098-P1122 HydrophobicContact CD1-CG 4.1Å; I1098-P1122 HydrophobicContact CG2-CB 4.39Å; I1098-P1122 HydrophobicContact CG2-CG 4.45Å; I1098-A1124 HydrophobicContact CD1-CB 3.8Å; I1098-L1125 HydrophobicContact CD1-CD1 4.47Å; I1098-L1125 HydrophobicContact CD1-CD2 3.81Å; I1098-L1125 HydrophobicContact CD1-CG 3.65Å
1099	R	85.6	Confident	92.9	Very high	93 Å²	93	24.1 Å²	24.1	35%	0.351	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-33.3	175.2	-61.6	-178.5	-176.4	-170.5	-0.1	111.5	L1064 T1096 L1097 R1104	L1064-R1099 HydrophobicContact CD2-CB 4.32Å; T1096-R1099 PolarHBondContact O-N 3.12Å; L1097-R1099 PolarHBondContact O-N 3.4Å; R1099-R1104 PolarHBondContact O-NH2 3.1Å
1100	D	88.4	Confident	92.8	Very high	8 Å²	8	24.1 Å²	24.1	4%	0.043	12%	0.117	C	C	.	.	S	Bend	trans	-80.5	133.5	178	173.8	-94.4	0	0	0	111.9	L1064 L1068 L1097 I1098 C1102 F1103 R1104	L1064-D1100 HydrophobicContact CD2-CB 4.41Å; L1068-D1100 HydrophobicContact CD1-CB 3.67Å; L1097-D1100 PolarHBondContact O-N 2.82Å; I1098-D1100 VanDerWaalsContact C-N 3.32Å; D1100-C1102 PolarHBondContact O-N 3.18Å; D1100-C1102 WeakPolarHBondContact OD1-CA 3.37Å; D1100-C1102 VanDerWaalsContact OD1-CB 3.28Å; D1100-C1102 WeakPolarHBondContact OD1-CB 3.42Å; D1100-C1102 PolarHBondContact OD1-N 3.5Å; D1100-F1103 HydrophobicContact CB-CB 4.24Å; D1100-F1103 HydrophobicContact CB-CD2 4.14Å; D1100-F1103 PolarHBondContact O-N 3.32Å; D1100-F1103 WeakPolarHBondContact OD1-CD2 3.42Å; D1100-F1103 PolarHBondContact OD1-N 3.03Å; D1100-R1104 WeakPolarHBondContact O-CB 3.37Å; D1100-R1104 PolarHBondContact O-N 2.86Å
1101	P	90.9	Very high	92.5	Very high	88 Å²	88	26 Å²	26	57%	0.571	13%	0.125	S	C	*	.	H	α-helix	trans	-60.6	-37.3	-178.8	-25.6	34.7	0	0	0	114.9	A1105	P1101-A1105 WeakPolarHBondContact O-CB 3.4Å; P1101-A1105 PolarHBondContact O-N 2.7Å
1102	C	93.9	Very high	92.2	Very high	16 Å²	16	29.9 Å²	29.9	11%	0.108	15%	0.152	C	C	.	.	H	α-helix	trans	-73	-46.5	-178.4	-66.1	0	0	0	0	110.8	F1077 D1100 A1105 L1106	F1077-C1102 HydrophobicContact CB-CB 4.38Å; F1077-C1102 HydrophobicContact CD1-CB 3.63Å; F1077-C1102 HydrophobicContact CD2-CB 3.93Å; F1077-C1102 HydrophobicContact CE1-CB 3.77Å; F1077-C1102 HydrophobicContact CE2-CB 4.08Å; F1077-C1102 HydrophobicContact CG-CB 3.71Å; F1077-C1102 HydrophobicContact CZ-CB 4Å; D1100-C1102 PolarHBondContact O-N 3.18Å; D1100-C1102 WeakPolarHBondContact OD1-CA 3.37Å; D1100-C1102 VanDerWaalsContact OD1-CB 3.28Å; D1100-C1102 WeakPolarHBondContact OD1-CB 3.42Å; D1100-C1102 PolarHBondContact OD1-N 3.5Å; C1102-A1105 PolarHBondContact O-N 3.48Å; C1102-L1106 WeakPolarHBondContact O-CB 2.81Å; C1102-L1106 PolarHBondContact O-N 3.08Å
1103	F	94.1	Very high	92.1	Very high	4 Å²	4	32 Å²	32	2%	0.018	16%	0.163	C	C	.	.	H	α-helix	trans	-66.6	-35.2	174.7	-80.1	-77.4	0	0	0	112.4	T1052 L1071 F1077 L1097 D1100 L1106 L1107	T1052-F1103 HydrophobicContact CG2-CE1 3.97Å; T1052-F1103 HydrophobicContact CG2-CZ 4.23Å; L1071-F1103 HydrophobicContact CB-CE2 4.34Å; L1071-F1103 HydrophobicContact CD2-CE2 4.27Å; L1071-F1103 HydrophobicContact CD2-CZ 4.16Å; F1077-F1103 HydrophobicContact CD2-CD1 4.29Å; F1077-F1103 AromaticContact CD2-CD2 3.99Å; F1077-F1103 HydrophobicContact CD2-CD2 3.99Å; F1077-F1103 HydrophobicContact CD2-CE1 4.08Å; F1077-F1103 AromaticContact CD2-CE2 3.77Å; F1077-F1103 HydrophobicContact CD2-CE2 3.77Å; F1077-F1103 HydrophobicContact CD2-CG 4.24Å; F1077-F1103 AromaticContact CD2-CZ 3.83Å; F1077-F1103 HydrophobicContact CD2-CZ 3.83Å; F1077-F1103 AromaticContact CE2-CD1 3.93Å; F1077-F1103 HydrophobicContact CE2-CD1 3.93Å; F1077-F1103 HydrophobicContact CE2-CD2 4.29Å; F1077-F1103 HydrophobicContact CE2-CE1 4.01Å; F1077-F1103 HydrophobicContact CE2-CE2 4.37Å; F1077-F1103 HydrophobicContact CE2-CG 4.07Å; F1077-F1103 HydrophobicContact CE2-CZ 4.24Å; L1097-F1103 HydrophobicContact CB-CB 4.04Å; L1097-F1103 HydrophobicContact CB-CD1 4.43Å; L1097-F1103 HydrophobicContact CB-CG 4.27Å; L1097-F1103 HydrophobicContact CD1-CD1 4.18Å; L1097-F1103 HydrophobicContact CD1-CE1 4.44Å; L1097-F1103 HydrophobicContact CD2-CD1 4.04Å; L1097-F1103 HydrophobicContact CD2-CD2 4.08Å; L1097-F1103 HydrophobicContact CD2-CE1 4.17Å; L1097-F1103 HydrophobicContact CD2-CE2 4.2Å; L1097-F1103 HydrophobicContact CD2-CG 4Å; L1097-F1103 HydrophobicContact CD2-CZ 4.25Å; L1097-F1103 HydrophobicContact CG-CD1 4.46Å; L1097-F1103 WeakPolarHBondContact O-CB 3.45Å; D1100-F1103 HydrophobicContact CB-CB 4.24Å; D1100-F1103 HydrophobicContact CB-CD2 4.14Å; D1100-F1103 PolarHBondContact O-N 3.32Å; D1100-F1103 WeakPolarHBondContact OD1-CD2 3.42Å; D1100-F1103 PolarHBondContact OD1-N 3.03Å; F1103-L1106 HydrophobicContact CD1-CD2 4.03Å; F1103-L1106 HydrophobicContact CE1-CD2 4.39Å; F1103-L1106 WeakPolarHBondContact O-CB 3.13Å; F1103-L1106 PolarHBondContact O-N 2.95Å; F1103-L1107 WeakPolarHBondContact O-CB 3.39Å; F1103-L1107 VanDerWaalsContact O-CG 3.28Å; F1103-L1107 WeakPolarHBondContact O-CG 3.26Å; F1103-L1107 PolarHBondContact O-N 3.14Å
1104	R	92.9	Very high	92.1	Very high	104 Å²	104	34.1 Å²	34.1	39%	0.392	19%	0.187	S	C	.	.	H	α-helix	trans	-58.5	-49.1	171.2	-177.8	-178.4	-59.2	160.7	5.3	111.4	I1098 R1099 D1100 L1106 L1107 Q1108	I1098-R1104 HydrophobicContact CG1-CB 4.44Å; I1098-R1104 HydrophobicContact CG1-CG 4.12Å; I1098-R1104 VanDerWaalsContact O-CZ 3.29Å; I1098-R1104 PolarHBondContact O-NE 3.02Å; I1098-R1104 PolarHBondContact O-NH2 2.76Å; R1099-R1104 PolarHBondContact O-NH2 3.1Å; D1100-R1104 WeakPolarHBondContact O-CB 3.37Å; D1100-R1104 PolarHBondContact O-N 2.86Å; R1104-L1106 VanDerWaalsContact C-N 3.29Å; R1104-L1106 PolarHBondContact O-N 3.34Å; R1104-L1107 PolarHBondContact O-N 2.84Å; R1104-Q1108 WeakPolarHBondContact O-CB 3.24Å; R1104-Q1108 WeakPolarHBondContact O-CG 3.5Å; R1104-Q1108 PolarHBondContact O-N 3.41Å
1105	A	94.6	Very high	92.2	Very high	22 Å²	22	34.1 Å²	34.1	18%	0.182	19%	0.187	C	C	.	.	H	α-helix	trans	-62	-38.1	178.1	0	0	0	0	0	111.9	L925 L929 P1101 C1102 Y1109	L925-A1105 HydrophobicContact CD1-CB 4.14Å; L929-A1105 HydrophobicContact CD1-CB 4.31Å; L929-A1105 HydrophobicContact CD2-CB 4.11Å; P1101-A1105 WeakPolarHBondContact O-CB 3.4Å; P1101-A1105 PolarHBondContact O-N 2.7Å; C1102-A1105 PolarHBondContact O-N 3.48Å; A1105-Y1109 VanDerWaalsContact O-CB 3.23Å; A1105-Y1109 WeakPolarHBondContact O-CB 3.35Å; A1105-Y1109 PolarHBondContact O-N 2.85Å
1106	L	96	Very high	92.5	Very high	2 Å²	2	33 Å²	33	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-65.6	-46.8	174.3	178	71.4	0	0	0	112.8	L925 L960 F1077 I1090 C1102 F1103 R1104 Q1108 Y1109 C1110	L925-L1106 HydrophobicContact CD2-CB 3.77Å; L925-L1106 HydrophobicContact CD2-CD1 3.55Å; L925-L1106 HydrophobicContact CD2-CG 4.28Å; L960-L1106 HydrophobicContact CD2-CD1 4.34Å; F1077-L1106 HydrophobicContact CE2-CB 4.3Å; F1077-L1106 HydrophobicContact CE2-CD2 3.82Å; F1077-L1106 HydrophobicContact CZ-CB 3.96Å; F1077-L1106 HydrophobicContact CZ-CD2 4.06Å; F1077-L1106 HydrophobicContact CZ-CG 4.44Å; I1090-L1106 HydrophobicContact CD1-CD1 3.95Å; I1090-L1106 HydrophobicContact CD1-CD2 3.3Å; I1090-L1106 HydrophobicContact CD1-CG 4.06Å; C1102-L1106 WeakPolarHBondContact O-CB 2.81Å; C1102-L1106 PolarHBondContact O-N 3.08Å; F1103-L1106 HydrophobicContact CD1-CD2 4.03Å; F1103-L1106 HydrophobicContact CE1-CD2 4.39Å; F1103-L1106 WeakPolarHBondContact O-CB 3.13Å; F1103-L1106 PolarHBondContact O-N 2.95Å; R1104-L1106 VanDerWaalsContact C-N 3.29Å; R1104-L1106 PolarHBondContact O-N 3.34Å; L1106-Q1108 VanDerWaalsContact C-N 3.35Å; L1106-Y1109 PolarHBondContact O-N 3.05Å; L1106-C1110 WeakPolarHBondContact O-CB 3.37Å; L1106-C1110 PolarHBondContact O-N 2.7Å; L1106-C1110 PolarHBondContact O-SG 2.81Å; L1106-C1110 VanDerWaalsContact O-SG 3.36Å
1107	L	95.3	Very high	92.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61	-45	177.2	-76.7	167.9	0	0	0	110.8	F962 P1094 L1097 I1098 F1103 R1104 C1110 F1111 Y1116 L1125	F962-L1107 HydrophobicContact CB-CD2 4.45Å; F962-L1107 HydrophobicContact CD1-CD2 3.64Å; F962-L1107 HydrophobicContact CD2-CD2 3.73Å; F962-L1107 HydrophobicContact CE1-CD2 3.71Å; F962-L1107 HydrophobicContact CE2-CD2 3.81Å; F962-L1107 HydrophobicContact CG-CD2 3.66Å; F962-L1107 HydrophobicContact CZ-CD2 3.82Å; P1094-L1107 HydrophobicContact CB-CD1 4.32Å; P1094-L1107 HydrophobicContact CB-CD2 3.97Å; L1097-L1107 HydrophobicContact CB-CD1 4.28Å; I1098-L1107 HydrophobicContact CB-CD1 4.13Å; F1103-L1107 WeakPolarHBondContact O-CB 3.39Å; F1103-L1107 VanDerWaalsContact O-CG 3.28Å; F1103-L1107 WeakPolarHBondContact O-CG 3.26Å; F1103-L1107 PolarHBondContact O-N 3.14Å; R1104-L1107 PolarHBondContact O-N 2.84Å; L1107-C1110 PolarHBondContact O-N 3.32Å; L1107-F1111 WeakPolarHBondContact O-CB 3.28Å; L1107-F1111 PolarHBondContact O-N 2.71Å; L1107-Y1116 HydrophobicContact CD2-CE2 4.39Å; L1107-L1125 HydrophobicContact CB-CD1 3.87Å; L1107-L1125 HydrophobicContact CB-CD2 3.92Å; L1107-L1125 HydrophobicContact CD2-CD1 4.46Å
1108	Q	94.4	Very high	92.5	Very high	70 Å²	70	35.6 Å²	35.6	33%	0.327	20%	0.195	S	C	.	.	H	α-helix	trans	-61.2	-43.1	174	-74.2	174.2	-20.8	0	0	112	R1104 L1106 F1111 S1112 L1125	R1104-Q1108 WeakPolarHBondContact O-CB 3.24Å; R1104-Q1108 WeakPolarHBondContact O-CG 3.5Å; R1104-Q1108 PolarHBondContact O-N 3.41Å; L1106-Q1108 VanDerWaalsContact C-N 3.35Å; Q1108-F1111 PolarHBondContact O-N 3.39Å; Q1108-S1112 VanDerWaalsContact O-CB 3.29Å; Q1108-S1112 WeakPolarHBondContact O-CB 3.46Å; Q1108-S1112 PolarHBondContact O-N 2.96Å; Q1108-S1112 PolarHBondContact O-OG 2.81Å; Q1108-L1125 HydrophobicContact CG-CD2 3.65Å
1109	Y	95.3	Very high	92.3	Very high	30 Å²	30	34.9 Å²	34.9	12%	0.118	19%	0.191	C	C	.	.	H	α-helix	trans	-63.6	-43.7	177.8	-178.7	-119.4	0	0	0	111.9	A921 M924 L925 F958 L960 A1105 L1106 N1113	A921-Y1109 WeakPolarHBondContact O-CE1 3.2Å; A921-Y1109 PolarHBondContact O-OH 3.14Å; M924-Y1109 HydrophobicContact SD-CE2 3.77Å; L925-Y1109 HydrophobicContact CB-CD1 4.08Å; L925-Y1109 HydrophobicContact CB-CE1 4.25Å; L925-Y1109 HydrophobicContact CB-CG 4.48Å; L925-Y1109 HydrophobicContact CD2-CD1 4.3Å; F958-Y1109 HydrophobicContact CE2-CE1 4.33Å; F958-Y1109 HydrophobicContact CE2-CE2 4.47Å; F958-Y1109 AromaticContact CE2-CZ 3.91Å; F958-Y1109 HydrophobicContact CZ-CD1 4.23Å; F958-Y1109 AromaticContact CZ-CE1 3.64Å; F958-Y1109 HydrophobicContact CZ-CE1 3.64Å; F958-Y1109 HydrophobicContact CZ-CE2 4.28Å; F958-Y1109 AromaticContact CZ-CZ 3.66Å; L960-Y1109 HydrophobicContact CD2-CD1 3.62Å; L960-Y1109 HydrophobicContact CD2-CE1 3.52Å; A1105-Y1109 VanDerWaalsContact O-CB 3.23Å; A1105-Y1109 WeakPolarHBondContact O-CB 3.35Å; A1105-Y1109 PolarHBondContact O-N 2.85Å; L1106-Y1109 PolarHBondContact O-N 3.05Å; Y1109-N1113 WeakPolarHBondContact O-CB 3.39Å; Y1109-N1113 PolarHBondContact O-N 2.87Å; Y1109-N1113 PolarHBondContact O-ND2 3.21Å
1110	C	95.4	Very high	92.1	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.8	-47.9	174.3	-70.6	0	0	0	0	111.5	F962 L1106 L1107 N1113 G1114 A1115	F962-C1110 HydrophobicContact CB-CB 4.16Å; L1106-C1110 WeakPolarHBondContact O-CB 3.37Å; L1106-C1110 PolarHBondContact O-N 2.7Å; L1106-C1110 PolarHBondContact O-SG 2.81Å; L1106-C1110 VanDerWaalsContact O-SG 3.36Å; L1107-C1110 PolarHBondContact O-N 3.32Å; C1110-N1113 CarbonylContact O-C 3.49Å; C1110-N1113 PolarHBondContact O-N 2.92Å; C1110-G1114 PolarHBondContact O-N 3.46Å; C1110-A1115 HydrophobicContact CB-CB 4.49Å; C1110-A1115 WeakPolarHBondContact O-CA 3.46Å; C1110-A1115 WeakPolarHBondContact O-CB 3.42Å; C1110-A1115 PolarHBondContact O-N 3.11Å
1111	F	92.3	Very high	92	Very high	38 Å²	38	31.4 Å²	31.4	17%	0.167	18%	0.18	C	C	.	.	H	α-helix	trans	-64.5	-49.1	-176.2	-170.9	-103.2	0	0	0	112.3	L1107 Q1108 N1113 G1114 Y1116 P1121 L1125 Q1129	L1107-F1111 WeakPolarHBondContact O-CB 3.28Å; L1107-F1111 PolarHBondContact O-N 2.71Å; Q1108-F1111 PolarHBondContact O-N 3.39Å; F1111-N1113 PolarHBondContact O-N 2.99Å; F1111-G1114 PolarHBondContact O-N 3.25Å; F1111-Y1116 HydrophobicContact CD2-CG 4.31Å; F1111-P1121 HydrophobicContact CD2-CB 4.42Å; F1111-P1121 HydrophobicContact CE2-CB 4.07Å; F1111-P1121 HydrophobicContact CE2-CG 3.95Å; F1111-L1125 HydrophobicContact CD1-CB 4.5Å; F1111-Q1129 HydrophobicContact CE1-CG 4.05Å
1112	S	92	Very high	91.7	Very high	82 Å²	82	27.5 Å²	27.5	57%	0.573	16%	0.155	S	C	*	.	H	α-helix	trans	-63.1	-25.2	179	-50	0	0	0	0	112.7	Q1108	Q1108-S1112 VanDerWaalsContact O-CB 3.29Å; Q1108-S1112 WeakPolarHBondContact O-CB 3.46Å; Q1108-S1112 PolarHBondContact O-N 2.96Å; Q1108-S1112 PolarHBondContact O-OG 2.81Å
1113	N	92.9	Very high	90.9	Very high	44 Å²	44	31.2 Å²	31.2	24%	0.235	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	6.8	176	-75	-79.1	0	0	0	113.2	K955 F958 Y1109 C1110 F1111 A1115	K955-N1113 WeakPolarHBondContact CD-O 3.42Å; K955-N1113 PolarHBondContact NZ-O 2.86Å; K955-N1113 VanDerWaalsContact NZ-O 3.13Å; F958-N1113 HydrophobicContact CD1-CB 4.37Å; F958-N1113 HydrophobicContact CD2-CB 4.23Å; F958-N1113 HydrophobicContact CE1-CB 3.91Å; F958-N1113 HydrophobicContact CE2-CB 3.75Å; F958-N1113 HydrophobicContact CZ-CB 3.57Å; Y1109-N1113 WeakPolarHBondContact O-CB 3.39Å; Y1109-N1113 PolarHBondContact O-N 2.87Å; Y1109-N1113 PolarHBondContact O-ND2 3.21Å; C1110-N1113 CarbonylContact O-C 3.49Å; C1110-N1113 PolarHBondContact O-N 2.92Å; F1111-N1113 PolarHBondContact O-N 2.99Å; N1113-A1115 VanDerWaalsContact C-N 3.27Å; N1113-A1115 PolarHBondContact O-N 3.31Å
1114	G	91.8	Very high	90.1	Very high	48 Å²	48	33.9 Å²	33.9	50%	0.495	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	28.2	-179.2	0	0	0	0	0	113.5	C1110 F1111	C1110-G1114 PolarHBondContact O-N 3.46Å; F1111-G1114 PolarHBondContact O-N 3.25Å
1115	A	94.6	Very high	89.4	Confident	0 Å²	0	29 Å²	29	0%	0	18%	0.175	C	C	.	.			trans	-115	40.4	-175.6	0	0	0	0	0	112.4	F958 L960 F961 F962 C1110 N1113	F958-A1115 HydrophobicContact CD1-CB 3.5Å; F958-A1115 VanDerWaalsContact CD1-CB 3.5Å; F958-A1115 HydrophobicContact CE1-CB 3.57Å; L960-A1115 VanDerWaalsContact O-CB 3.22Å; L960-A1115 WeakPolarHBondContact O-CB 3.49Å; F961-A1115 WeakPolarHBondContact CA-O 3.29Å; F961-A1115 HydrophobicContact CB-CB 4.14Å; F961-A1115 WeakPolarHBondContact CB-O 3.37Å; F962-A1115 PolarHBondContact N-O 3.17Å; C1110-A1115 HydrophobicContact CB-CB 4.49Å; C1110-A1115 WeakPolarHBondContact O-CA 3.46Å; C1110-A1115 WeakPolarHBondContact O-CB 3.42Å; C1110-A1115 PolarHBondContact O-N 3.11Å; N1113-A1115 VanDerWaalsContact C-N 3.27Å; N1113-A1115 PolarHBondContact O-N 3.31Å
1116	Y	93.3	Very high	88.2	Confident	24 Å²	24	30.7 Å²	30.7	9%	0.094	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.3	177.4	178.4	-85.9	0	0	0	109.4	F962 P1094 L1107 F1111 C1119 D1120 P1121	F962-Y1116 HydrophobicContact CB-CD2 4.27Å; F962-Y1116 AromaticContact CD1-CD2 3.87Å; F962-Y1116 HydrophobicContact CD1-CD2 3.87Å; F962-Y1116 AromaticContact CD1-CE2 3.66Å; F962-Y1116 HydrophobicContact CD1-CE2 3.66Å; F962-Y1116 HydrophobicContact CE1-CE2 4.2Å; F962-Y1116 HydrophobicContact CG-CD2 4.47Å; F962-Y1116 CarbonylContact O-C 3.54Å; F962-Y1116 WeakPolarHBondContact O-CA 3.37Å; P1094-Y1116 HydrophobicContact CB-CE2 4.21Å; P1094-Y1116 HydrophobicContact CG-CE2 4.44Å; P1094-Y1116 WeakPolarHBondContact CG-OH 3.43Å; L1107-Y1116 HydrophobicContact CD2-CE2 4.39Å; F1111-Y1116 HydrophobicContact CD2-CG 4.31Å; Y1116-C1119 VanDerWaalsContact CE1-O 3.31Å; Y1116-C1119 WeakPolarHBondContact CE1-O 3.49Å; Y1116-C1119 PolarHBondContact OH-O 2.81Å; Y1116-D1120 PolarHBondContact OH-O 3.42Å; Y1116-P1121 HydrophobicContact CE1-CB 4Å; Y1116-P1121 HydrophobicContact CE1-CG 4.48Å
1117	L	90.9	Very high	86.4	Confident	53 Å²	53	33.5 Å²	33.5	28%	0.277	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	168.9	177.4	-69.2	-177.3	0	0	0	110.6	P954 F961 F962 H963 G964	P954-L1117 HydrophobicContact CB-CD1 4.36Å; P954-L1117 HydrophobicContact CB-CD2 4.17Å; P954-L1117 HydrophobicContact CB-CG 4.11Å; P954-L1117 HydrophobicContact CG-CD1 3.61Å; P954-L1117 HydrophobicContact CG-CD2 4.22Å; P954-L1117 HydrophobicContact CG-CG 3.62Å; F961-L1117 HydrophobicContact CD2-CD1 4.34Å; F961-L1117 HydrophobicContact CE2-CD1 4.37Å; F962-L1117 PolarHBondContact O-N 3.48Å; H963-L1117 CarbonylContact C-O 3.6Å; H963-L1117 WeakPolarHBondContact CA-O 3.23Å; G964-L1117 PolarHBondContact N-O 2.79Å
1118	G	87.4	Confident	84.2	Confident	2 Å²	2	35 Å²	35	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	100.9	-135.8	169.1	0	0	0	0	0	111.9	S315 G964	S315-G1118 PolarHBondContact OG-N 3.19Å; S315-G1118 PolarHBondContact OG-O 3.21Å; G964-G1118 WeakPolarHBondContact O-CA 3.11Å
1119	C	85.4	Confident	81.8	Confident	5 Å²	5	36.3 Å²	36.3	3%	0.034	21%	0.211	C	C	.	.	S	Bend	trans	-61	173.9	178.9	74.8	0	0	0	0	112.6	G964 R966 P1094 Y1116	G964-C1119 VanDerWaalsContact C-SG 3.56Å; G964-C1119 PolarHBondContact O-N 2.97Å; R966-C1119 HydrophobicContact CG-CB 4.23Å; P1094-C1119 VanDerWaalsContact CG-SG 3.6Å; Y1116-C1119 VanDerWaalsContact CE1-O 3.31Å; Y1116-C1119 WeakPolarHBondContact CE1-O 3.49Å; Y1116-C1119 PolarHBondContact OH-O 2.81Å
1120	D	82.5	Confident	79	Confident	10 Å²	10	39.8 Å²	39.8	5%	0.053	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-66.2	143.5	178.7	67.3	-66.3	0	0	0	111.6	W313 R966 H1095 Y1116 R1126	W313-D1120 HydrophobicContact CB-CB 3.88Å; W313-D1120 WeakPolarHBondContact O-CA 3.38Å; W313-D1120 WeakPolarHBondContact O-CB 3.37Å; R966-D1120 IonicContact NH1-OD1 3.46Å; R966-D1120 PolarHBondContact NH1-OD1 3.1Å; H1095-D1120 PolarHBondContact CE1-O 3.49Å; H1095-D1120 IonicContact NE2-OD2 3.8Å; Y1116-D1120 PolarHBondContact OH-O 3.42Å; D1120-R1126 IonicContact OD2-NH2 2.84Å; D1120-R1126 PolarHBondContact OD2-NH2 3.01Å
1121	P	85.1	Confident	76	Confident	17 Å²	17	45.1 Å²	45.1	11%	0.11	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-77.8	146.1	-178	28.1	-32.4	0	0	0	111.3	F1111 Y1116 L1125 R1126	F1111-P1121 HydrophobicContact CD2-CB 4.42Å; F1111-P1121 HydrophobicContact CE2-CB 4.07Å; F1111-P1121 HydrophobicContact CE2-CG 3.95Å; Y1116-P1121 HydrophobicContact CE1-CB 4Å; Y1116-P1121 HydrophobicContact CE1-CG 4.48Å; P1121-L1125 HydrophobicContact CB-CD1 4.41Å; P1121-R1126 HydrophobicContact CG-CG 4.18Å; P1121-R1126 PolarHBondContact O-NE 2.88Å; P1121-R1126 PolarHBondContact O-NH2 2.86Å
1122	P	85.7	Confident	72.9	Confident	6 Å²	6	47.3 Å²	47.3	4%	0.039	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-58.2	148.4	175.9	-23.3	30.2	0	0	0	112.9	P1094 H1095 I1098 A1124 L1125 R1126	P1094-P1122 VanDerWaalsContact C-CG 3.49Å; P1094-P1122 HydrophobicContact CB-CG 3.88Å; P1094-P1122 HydrophobicContact CG-CG 4.3Å; P1094-P1122 WeakPolarHBondContact O-CG 3.36Å; H1095-P1122 HydrophobicContact CB-CG 4.41Å; I1098-P1122 HydrophobicContact CD1-CB 3.73Å; I1098-P1122 HydrophobicContact CD1-CG 4.1Å; I1098-P1122 HydrophobicContact CG2-CB 4.39Å; I1098-P1122 HydrophobicContact CG2-CG 4.45Å; P1122-A1124 VanDerWaalsContact C-N 3.27Å; P1122-A1124 PolarHBondContact O-N 2.85Å; P1122-A1124 VanDerWaalsContact O-N 3.17Å; P1122-L1125 HydrophobicContact CG-CD1 4.48Å; P1122-L1125 WeakPolarHBondContact O-CB 3.41Å; P1122-L1125 PolarHBondContact O-N 2.82Å; P1122-R1126 PolarHBondContact O-N 3.48Å
1123	Q	77.1	Confident	70	Confident	95 Å²	95	51.4 Å²	51.4	44%	0.444	29%	0.288	S	S	.	.	H	α-helix	trans	-52.4	-41.9	-178.1	-69.2	-178.6	-7.4	0	0	113.3	L1125 R1126 T1127	Q1123-L1125 PolarHBondContact O-N 2.75Å; Q1123-R1126 WeakPolarHBondContact O-CA 3.46Å; Q1123-R1126 WeakPolarHBondContact O-CB 3.39Å; Q1123-R1126 PolarHBondContact O-N 2.87Å; Q1123-T1127 PolarHBondContact O-N 2.81Å; Q1123-T1127 PolarHBondContact O-OG1 3.32Å; Q1123-T1127 VanDerWaalsContact O-OG1 3.14Å
1124	A	76.1	Confident	67	Low	60 Å²	60	55.8 Å²	55.8	50%	0.496	31%	0.311	S	S	.	.	H	α-helix	trans	-63.1	-23.6	-179.9	0	0	0	0	0	114.1	I1098 P1122	I1098-A1124 HydrophobicContact CD1-CB 3.8Å; P1122-A1124 VanDerWaalsContact C-N 3.27Å; P1122-A1124 PolarHBondContact O-N 2.85Å; P1122-A1124 VanDerWaalsContact O-N 3.17Å
1125	L	80.1	Confident	63.9	Low	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-75	-37.6	169.6	-62.5	-178.5	0	0	0	111.2	I1098 L1107 Q1108 F1111 P1121 P1122 Q1123 S1128	I1098-L1125 HydrophobicContact CD1-CD1 4.47Å; I1098-L1125 HydrophobicContact CD1-CD2 3.81Å; I1098-L1125 HydrophobicContact CD1-CG 3.65Å; L1107-L1125 HydrophobicContact CB-CD1 3.87Å; L1107-L1125 HydrophobicContact CB-CD2 3.92Å; L1107-L1125 HydrophobicContact CD2-CD1 4.46Å; Q1108-L1125 HydrophobicContact CG-CD2 3.65Å; F1111-L1125 HydrophobicContact CD1-CB 4.5Å; P1121-L1125 HydrophobicContact CB-CD1 4.41Å; P1122-L1125 HydrophobicContact CG-CD1 4.48Å; P1122-L1125 WeakPolarHBondContact O-CB 3.41Å; P1122-L1125 PolarHBondContact O-N 2.82Å; Q1123-L1125 PolarHBondContact O-N 2.75Å; L1125-S1128 PolarHBondContact O-N 3.09Å; L1125-S1128 PolarHBondContact O-OG 2.9Å
1126	R	69	Low	62.4	Low	59 Å²	59	68.1 Å²	68.1	22%	0.223	36%	0.358	C	S	.	.	H	α-helix	trans	-66	-39	179.2	-52.8	-177.9	-163	179.8	2.4	111.5	D1120 P1121 P1122 Q1123 S1128	D1120-R1126 IonicContact OD2-NH2 2.84Å; D1120-R1126 PolarHBondContact OD2-NH2 3.01Å; P1121-R1126 HydrophobicContact CG-CG 4.18Å; P1121-R1126 PolarHBondContact O-NE 2.88Å; P1121-R1126 PolarHBondContact O-NH2 2.86Å; P1122-R1126 PolarHBondContact O-N 3.48Å; Q1123-R1126 WeakPolarHBondContact O-CA 3.46Å; Q1123-R1126 WeakPolarHBondContact O-CB 3.39Å; Q1123-R1126 PolarHBondContact O-N 2.87Å; R1126-S1128 VanDerWaalsContact C-N 3.31Å; R1126-S1128 PolarHBondContact O-N 3.08Å
1127	T	57.6	Low	60.7	Low	60 Å²	60	70.4 Å²	70.4	37%	0.368	37%	0.372	S	S	.	.	H	α-helix	trans	-68.6	-27.8	178	-42.4	0	0	0	0	113	Q1123 Q1129 I1130	Q1123-T1127 PolarHBondContact O-N 2.81Å; Q1123-T1127 PolarHBondContact O-OG1 3.32Å; Q1123-T1127 VanDerWaalsContact O-OG1 3.14Å; T1127-Q1129 VanDerWaalsContact C-N 3.25Å; T1127-Q1129 PolarHBondContact O-N 3.49Å; T1127-I1130 WeakPolarHBondContact O-CB 3.41Å; T1127-I1130 PolarHBondContact O-N 3.23Å
1128	S	49.8	Very low	59.1	Low	32 Å²	32	71.4 Å²	71.4	22%	0.224	38%	0.377	C	S	.	.	H	α-helix	trans	-67.2	-22	-178.2	66.3	0	0	0	0	114.4	L1125 R1126 I1130 S1132	L1125-S1128 PolarHBondContact O-N 3.09Å; L1125-S1128 PolarHBondContact O-OG 2.9Å; R1126-S1128 VanDerWaalsContact C-N 3.31Å; R1126-S1128 PolarHBondContact O-N 3.08Å; S1128-I1130 VanDerWaalsContact C-N 3.31Å; S1128-S1132 PolarHBondContact O-OG 2.79Å
1129	Q	42.8	Very low	57.4	Low	97 Å²	97	75.5 Å²	75.5	45%	0.453	40%	0.398	S	S	.	.	H	α-helix	trans	-67.8	-29.7	170.2	-86.9	178.1	-35.2	0	0	112.9	F1111 T1127 S1132	F1111-Q1129 HydrophobicContact CE1-CG 4.05Å; T1127-Q1129 VanDerWaalsContact C-N 3.25Å; T1127-Q1129 PolarHBondContact O-N 3.49Å; Q1129-S1132 PolarHBondContact O-OG 2.77Å
1130	I	36.4	Very low	55.6	Low	104 Å²	104	79.9 Å²	79.9	53%	0.533	42%	0.421	S	S	.	.	H	α-helix	trans	-76.8	-25.2	-173.4	-55.1	175.2	0	0	0	111.7	T1127 S1128 N1134	T1127-I1130 WeakPolarHBondContact O-CB 3.41Å; T1127-I1130 PolarHBondContact O-N 3.23Å; S1128-I1130 VanDerWaalsContact C-N 3.31Å; I1130-N1134 PolarHBondContact O-ND2 2.84Å
1131	I	32.8	Very low	53.8	Low	111 Å²	111	84.5 Å²	84.5	57%	0.569	45%	0.445	S	S	*	.	H	α-helix	trans	-88.7	-34.9	-179.1	-58.2	174.9	0	0	0	111	E1133 N1134	I1131-E1133 VanDerWaalsContact C-N 3.27Å; I1131-E1133 PolarHBondContact O-N 2.93Å; I1131-N1134 PolarHBondContact O-N 3.23Å
1132	S	28.3	Very low	51.6	Low	85 Å²	85	89.4 Å²	89.4	59%	0.594	47%	0.469	S	S	*	.	H	α-helix	trans	-72.9	-14.8	179.8	56.7	0	0	0	0	114.7	S1128 Q1129 N1134	S1128-S1132 PolarHBondContact O-OG 2.79Å; Q1129-S1132 PolarHBondContact O-OG 2.77Å; S1132-N1134 VanDerWaalsContact C-N 3.28Å
1133	E	30.9	Very low	49	Very low	167 Å²	167	95.8 Å²	95.8	78%	0.78	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-2	173.6	-70.8	-177.5	168.4	0	0	112.7	I1131	I1131-E1133 VanDerWaalsContact C-N 3.27Å; I1131-E1133 PolarHBondContact O-N 2.93Å
1134	N	29.6	Very low	46.7	Very low	137 Å²	137	95.8 Å²	95.8	73%	0.733	51%	0.507	S	S	*	.			trans	-119	8.2	-178.6	-76.3	-48.5	0	0	0	114.8	I1130 I1131 S1132	I1130-N1134 PolarHBondContact O-ND2 2.84Å; I1131-N1134 PolarHBondContact O-N 3.23Å; S1132-N1134 VanDerWaalsContact C-N 3.28Å
1135	E	26.5	Very low	44	Very low	238 Å²	238	99.1 Å²	99.1	100%	1.112	51%	0.508	S	S	*	.			trans	-110.1	0	172.6	-80.2	-167.5	164	0	0	113.6

Retrieved 1,135 of 1,135 residues in 1234.1 ms (Link to these results)

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