A0A077Z151_TRITR Loading...

LRR 8 and LRR 1 and PP2C and LRR 7 domain contain ing protein

AlphaFold DB , UniProt , Accession A0A077Z151, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,314 aa.

						>A0A077Z151_TRITR|A0A077Z151
MRTVEHDAYMARSDIVSKRRSSPENIYYTLSKWPPNYNTSQGTLTLGPYYSIGPTTVSIKCKPFTGTEKAKWISQAVDHGFVRLYDPEALLASSLVVPCTLDTTCIQVASKLGIDPNDFHVQFNGHTLRRLLADDRLLAIQNKFLTSIGITNVRRQQFEGDKIDLGYLIRFYAGRPSQLGGYSRAPLSCHCLVRKRGPFRKWSRRYCVLSQNRLFIFGDNGKKGSDELDTVHLDKGKARIAISNSQGKCLKLASSPEHPPQVFYSLAFTSEVCENSILLDDYSDMQMETIPDELFRGDNPKKLSKLNLHGNSLRERPPKAGQYNAGWLNDLVCFQYLTALNLSDNDLLRCPTSLFQLESLSELSLANNKITDLPPAVAKLKNLSVLNLQNNCLHVLPMELSVCEHLVFLDLSFNRFDTIPAVLNSLSRLDSWILNGNHIINFSSNVMLGMPMELRKVELRHNEISLCAANAPALNTLCFLTHLDIRDNNRIIELDLSTLSSLQVRGKVLPLLMMPITRQVLNCERCSIITLRVNGSCLSELRANKNKIRNLFIRPTPHQIAILELSHNCMESLPEWTTELVQIKRILCSHNYIEALPDRLLTNVNSLNYLDLSHNHIRALPTYMENCAIETLLLHHNHIQKLPEEFLSSAHRLYILNLSHNRLAQLPSPSEVSELNKIKELCLASNQLTNSALDVIARYRHLQVLDISYNRITSISNEFFQKLQMLQEINISGNQIPTLPSTLTSLPLLTTLRAHSNVISSLPNLATCEQLLASHIDLAANRITDVPISRLMAPKVKYIDVACNDAIAVQDIHQLKALRDEKSVSVVDINNEIFLPEENWKLGTSQFFDPSSAKPSVLQLKGRPGNSSADGILLGILESLFSYESGELLQQMLPEIVEQEKREMTTRDQYLKYSLIMAHHALKENGQRQGVSCALCHLVPRYHRGASRKYCIRVANCGDVEVVLCRNGEPILLTKRFTAESSEEEYARIRLSGGTVDQNNAINGTVRCSRLIGCSFLYPSVVPIPYEFVWNLADCDEFLVLANGAVWQTMSYQEVVAQVRSIPEPSLAAKYLQDIVRAYRCTEDISIMVIRFGFPKKGADFINMFTATPYRERRFASKVPVNSESNSSGSPDYEDPRLALPKPIRMFGNTDYTSEDSTDFRFAKSAYSVIRKKKQEKRESSTNGIHFAKPVRTVSHHYVSKPQVQASTPVQTYQSLQRRRYYGDDENRQRKDLAKRLAHKACQARQSLRSVTNAFGRKPKGKQTNHYKCISIVPKSENDSDLLETDEEERKWKFEKKTERYKSYLYKSSQPFAD
					

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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	30.1	Very low	29.6	Very low	241 Å²	241	169.1 Å²	169.1	100%	1.187	86%	0.864	S	S	*	*				0	145.4	0	-75.8	176.6	168.8	0	0	108.5
2	R	31.7	Very low	29.6	Very low	251 Å²	251	176.3 Å²	176.3	95%	0.947	87%	0.872	S	S	*	*			trans	47.9	79.8	175.4	-66.9	-170.3	177	-176.7	-0.5	116.3
3	T	28.1	Very low	29.5	Very low	133 Å²	133	170 Å²	170	82%	0.816	86%	0.856	S	S	*	*			trans	-71.7	155.8	154	42.3	0	0	0	0	111.6
4	V	35.3	Very low	29.5	Very low	121 Å²	121	167.8 Å²	167.8	73%	0.733	85%	0.848	S	S	*	*				174	129.7	128.7	149.6	0	0	0	0	110.8
5	E	32.2	Very low	29.6	Very low	160 Å²	160	168 Å²	168	75%	0.748	85%	0.85	S	S	*	*			trans	38	109.8	155.7	-65.5	157.8	-148.6	0	0	122.1
6	H	31.7	Very low	29.5	Very low	187 Å²	187	165.1 Å²	165.1	87%	0.866	84%	0.842	S	S	*	*				-161.3	109.9	99.8	-112	66.4	0	0	0	111.6
7	D	25.8	Very low	29.5	Very low	168 Å²	168	161.9 Å²	161.9	90%	0.898	84%	0.839	S	S	*	*			trans	-155.8	100.8	169.4	-153.2	-7.7	0	0	0	110.5
8	A	28.7	Very low	29.3	Very low	84 Å²	84	163.7 Å²	163.7	69%	0.694	84%	0.839	S	S	*	*			trans	-162.3	86.1	-179.2	0	0	0	0	0	112.2
9	Y	28.9	Very low	29.4	Very low	233 Å²	233	168 Å²	168	91%	0.914	84%	0.844	S	S	*	*				-179	109.5	124	-108.2	-75.2	0	0	0	110.1
10	M	25.2	Very low	29.3	Very low	189 Å²	189	172.1 Å²	172.1	93%	0.931	85%	0.849	S	S	*	*			trans	-120.9	148.3	171.6	-99.8	-71.3	-178.4	0	0	110.1
11	A	28.1	Very low	29.4	Very low	93 Å²	93	169.9 Å²	169.9	77%	0.769	85%	0.85	S	S	*	*			trans	-83.1	158	-171.2	0	0	0	0	0	113.8
12	R	29.6	Very low	29.3	Very low	256 Å²	256	163.8 Å²	163.8	97%	0.966	83%	0.831	S	S	*	*			trans	-153.9	159.3	152.4	-109.1	167.9	-166.2	-166.8	2.7	110.3
13	S	28.4	Very low	29.5	Very low	94 Å²	94	157.2 Å²	157.2	66%	0.657	82%	0.821	S	S	*	*			trans	-127.9	163.3	-162.5	68	0	0	0	0	114.4
14	D	28.7	Very low	29.4	Very low	139 Å²	139	159 Å²	159	74%	0.743	82%	0.82	S	S	*	*			trans	63.4	123.9	156.7	-50.6	-52.8	0	0	0	120.5
15	I	31.5	Very low	28.9	Very low	171 Å²	171	159.6 Å²	159.6	88%	0.877	82%	0.819	S	S	*	*				-164.3	142.1	106	-95	156.2	0	0	0	112.7
16	V	27.6	Very low	28.5	Very low	121 Å²	121	157 Å²	157	73%	0.733	81%	0.809	S	S	*	*			trans	-55.4	140.2	-174.6	172.1	0	0	0	0	117.2
17	S	30	Very low	28.2	Very low	111 Å²	111	156.8 Å²	156.8	78%	0.776	80%	0.802	S	S	*	*				-177.4	114.6	120.4	44.1	0	0	0	0	119.5
18	K	26.5	Very low	28.2	Very low	195 Å²	195	156.1 Å²	156.1	85%	0.848	79%	0.788	S	S	*	*			trans	37.7	111.7	136.5	-62	173.6	179.2	171.3	0	122.4
19	R	30.2	Very low	28.1	Very low	245 Å²	245	157.1 Å²	157.1	93%	0.925	79%	0.786	S	S	*	*				-177.8	106.6	119.8	-98.1	168	-172.2	-161.6	2.5	108.9
20	R	27	Very low	28.2	Very low	250 Å²	250	152 Å²	152	94%	0.943	77%	0.773	S	S	*	*				67.4	77.8	82.6	-89.4	-162.4	174.4	-173.1	-0.4	116.6
21	S	32.5	Very low	28.5	Very low	126 Å²	126	147.4 Å²	147.4	88%	0.881	76%	0.76	S	S	*	*			trans	-163.5	148.3	139.6	51.2	0	0	0	0	110.4
22	S	27	Very low	29	Very low	113 Å²	113	151.9 Å²	151.9	79%	0.79	76%	0.762	S	S	*	*			trans	-137.6	168.6	-176.2	58	0	0	0	0	109
23	P	35.7	Very low	29.4	Very low	112 Å²	112	143.4 Å²	143.4	73%	0.727	73%	0.73	S	S	*	*			cis	-137.2	-150.7	17.4	35.9	-11.6	0	0	0	114.1
24	E	25.7	Very low	29.7	Very low	171 Å²	171	142.1 Å²	142.1	80%	0.799	72%	0.72	S	S	*	*			trans	70.5	74.2	167.8	-53.3	-143.8	160.3	0	0	119.1
25	N	25.6	Very low	30.1	Very low	133 Å²	133	141 Å²	141	71%	0.711	72%	0.72	S	S	*	*			trans	-141.3	95.4	140.1	-105.3	-49.6	0	0	0	110.1	Y27	N25-Y27 VanDerWaalsContact C-N 3.33Å; N25-Y27 HydrophobicContact CB-CD2 4.08Å; N25-Y27 HydrophobicContact CB-CE2 3.76Å; N25-Y27 PolarHBondContact O-N 3.13Å
26	I	24.1	Very low	30.2	Very low	107 Å²	107	139.6 Å²	139.6	55%	0.549	71%	0.714	S	S	.	*			trans	-82.3	81.8	177.1	-54.5	177.5	0	0	0	108.8	Y28	I26-Y28 HydrophobicContact CG2-CD2 4.23Å; I26-Y28 HydrophobicContact CG2-CE1 4.14Å; I26-Y28 HydrophobicContact CG2-CE2 3.72Å; I26-Y28 PolarHBondContact O-N 3.29Å
27	Y	25	Very low	30.8	Very low	181 Å²	181	137.2 Å²	137.2	71%	0.71	69%	0.693	S	S	*	*			trans	-71	112.8	164.5	-69.5	-79.1	0	0	0	109.3	N25 T29	N25-Y27 VanDerWaalsContact C-N 3.33Å; N25-Y27 HydrophobicContact CB-CD2 4.08Å; N25-Y27 HydrophobicContact CB-CE2 3.76Å; N25-Y27 PolarHBondContact O-N 3.13Å; Y27-T29 PolarHBondContact O-N 3.28Å
28	Y	25.2	Very low	31.3	Very low	155 Å²	155	135.4 Å²	135.4	61%	0.608	68%	0.675	S	S	*	*			trans	-74.2	105.2	170.3	-71.9	-80.5	0	0	0	109.6	I26 R1300	I26-Y28 HydrophobicContact CG2-CD2 4.23Å; I26-Y28 HydrophobicContact CG2-CE1 4.14Å; I26-Y28 HydrophobicContact CG2-CE2 3.72Å; I26-Y28 PolarHBondContact O-N 3.29Å; Y28-R1300 VanDerWaalsContact CE2-NH1 3.34Å; Y28-R1300 PolarHBondContact OH-NH1 3.43Å
29	T	27.5	Very low	32.2	Very low	105 Å²	105	126.6 Å²	126.6	64%	0.644	64%	0.637	S	S	*	*			trans	-70.3	148.2	179.8	47.8	0	0	0	0	112.2	Y27 S31	Y27-T29 PolarHBondContact O-N 3.28Å; T29-S31 PolarHBondContact O-N 3.32Å; T29-S31 PolarHBondContact OG1-OG 3.34Å; T29-S31 VanDerWaalsContact OG1-OG 3.06Å
30	L	30.9	Very low	33	Very low	124 Å²	124	115 Å²	115	65%	0.649	59%	0.593	S	S	*	*	S	Bend	trans	-61.5	5.1	177.5	-82	151.8	0	0	0	115.2	K32 Q107	L30-K32 PolarHBondContact O-N 3.14Å; L30-Q107 HydrophobicContact CD1-CG 4.41Å
31	S	32	Very low	33.7	Very low	94 Å²	94	107.6 Å²	107.6	66%	0.657	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	23.8	-170.5	59.9	0	0	0	0	115.2	T29	T29-S31 PolarHBondContact O-N 3.32Å; T29-S31 PolarHBondContact OG1-OG 3.34Å; T29-S31 VanDerWaalsContact OG1-OG 3.06Å
32	K	38.9	Very low	34.4	Very low	186 Å²	186	103 Å²	103	81%	0.809	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.4	19.5	178.2	-75	-165	177.5	-177.9	0	115.5	L30 P34	L30-K32 PolarHBondContact O-N 3.14Å; K32-P34 WeakPolarHBondContact O-CD 3.36Å
33	W	38	Very low	35.5	Very low	78 Å²	78	100.2 Å²	100.2	30%	0.295	52%	0.52	S	S	.	.	S	Bend	trans	-84	114.5	147	-86.6	43.3	0	0	0	108.2	T39 P98 K111	W33-T39 HydrophobicContact CH2-CG2 4.47Å; W33-P98 HydrophobicContact CH2-CG 4.24Å; W33-P98 HydrophobicContact CZ2-CG 3.89Å; W33-K111 HydrophobicContact CE3-CD 4.2Å; W33-K111 HydrophobicContact CE3-CG 4.34Å; W33-K111 HydrophobicContact CH2-CG 4.04Å; W33-K111 HydrophobicContact CZ3-CD 3.94Å; W33-K111 HydrophobicContact CZ3-CG 3.62Å
34	P	33	Very low	36.5	Very low	68 Å²	68	94.9 Å²	94.9	44%	0.442	49%	0.486	S	S	.	.			trans	-58.8	143.4	167.2	-20	32.6	0	0	0	109.4	K32 N36 Y37	K32-P34 WeakPolarHBondContact O-CD 3.36Å; P34-N36 PolarHBondContact O-N 3.4Å; P34-Y37 HydrophobicContact CB-CD2 4.01Å; P34-Y37 HydrophobicContact CB-CE2 4.35Å; P34-Y37 HydrophobicContact CG-CD2 3.82Å; P34-Y37 HydrophobicContact CG-CE2 3.8Å; P34-Y37 PolarHBondContact O-N 3Å
35	P	37.5	Very low	37.9	Very low	116 Å²	116	89.5 Å²	89.5	75%	0.753	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.6	-168.3	18.5	-31.4	0	0	0	114.9
36	N	34.4	Very low	39.3	Very low	141 Å²	141	83.4 Å²	83.4	75%	0.754	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	19.8	-173.9	-58.9	-7.1	0	0	0	114.5	P34 N38	P34-N36 PolarHBondContact O-N 3.4Å; N36-N38 PolarHBondContact O-ND2 3.49Å
37	Y	39.6	Very low	40.6	Very low	70 Å²	70	78.6 Å²	78.6	28%	0.275	41%	0.408	S	S	.	.			trans	-75.2	127.8	179.2	-107.2	-108.9	0	0	0	113.3	P34 F64	P34-Y37 HydrophobicContact CB-CD2 4.01Å; P34-Y37 HydrophobicContact CB-CE2 4.35Å; P34-Y37 HydrophobicContact CG-CD2 3.82Å; P34-Y37 HydrophobicContact CG-CE2 3.8Å; P34-Y37 PolarHBondContact O-N 3Å; Y37-F64 HydrophobicContact CD1-CE2 4.39Å; Y37-F64 AromaticContact CD1-CZ 3.89Å; Y37-F64 HydrophobicContact CD1-CZ 3.89Å; Y37-F64 HydrophobicContact CE1-CE1 4.05Å; Y37-F64 HydrophobicContact CE1-CE2 4.47Å; Y37-F64 AromaticContact CE1-CZ 3.63Å; Y37-F64 HydrophobicContact CE1-CZ 3.63Å
38	N	40.3	Very low	41.3	Very low	74 Å²	74	73.1 Å²	73.1	40%	0.396	40%	0.395	S	S	.	.			trans	-106.2	137.3	177.6	-77.7	-97.2	0	0	0	110.3	N36 C61 K62 F64	N36-N38 PolarHBondContact O-ND2 3.49Å; N38-C61 HydrophobicContact CB-CB 4.44Å; N38-K62 HydrophobicContact CB-CB 3.99Å; N38-K62 PolarHBondContact OD1-N 3.2Å; N38-F64 WeakPolarHBondContact O-CD2 3.38Å; N38-F64 WeakPolarHBondContact O-CE2 3.24Å
39	T	45.6	Very low	42.2	Very low	9 Å²	9	76 Å²	76	6%	0.055	41%	0.407	C	S	.	.			trans	-76.2	169.3	167.8	44.1	0	0	0	0	111.1	W33 C61 V96 V97	W33-T39 HydrophobicContact CH2-CG2 4.47Å; T39-C61 CarbonylContact O-C 3.4Å; T39-C61 WeakPolarHBondContact O-CB 3.49Å; T39-C61 PolarHBondContact OG1-SG 3.43Å; T39-C61 VanDerWaalsContact OG1-SG 3.34Å; T39-V96 WeakPolarHBondContact CB-O 3.49Å; T39-V97 HydrophobicContact CG2-CB 4.43Å; T39-V97 HydrophobicContact CG2-CG1 4.27Å; T39-V97 HydrophobicContact CG2-CG2 4.25Å
40	S	47.1	Very low	43.1	Very low	1 Å²	1	73.9 Å²	73.9	1%	0.007	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-134.3	143.4	-166.5	67.1	0	0	0	0	117.6	F64 V96	S40-F64 VanDerWaalsContact CB-N 3.33Å; S40-V96 PolarHBondContact N-O 3.42Å; S40-V96 WeakPolarHBondContact O-CB 3.46Å; S40-V96 PolarHBondContact O-N 2.95Å
41	Q	42.8	Very low	43.3	Very low	95 Å²	95	69.5 Å²	69.5	44%	0.444	37%	0.367	S	S	.	.	S	Bend	trans	70	161.5	-175.8	-60.8	-172.3	-26.3	0	0	114.6	S94 L95	Q41-S94 CarbonylContact C-O 3.57Å; Q41-L95 WeakPolarHBondContact O-CA 3.49Å; Q41-L95 WeakPolarHBondContact O-CD1 3.3Å
42	G	47.2	Very low	43.7	Very low	29 Å²	29	74.3 Å²	74.3	30%	0.299	38%	0.383	S	S	.	.			trans	75.5	159.2	-176.1	0	0	0	0	0	114.3	S94	G42-S94 WeakPolarHBondContact CA-O 3.25Å; G42-S94 PolarHBondContact N-O 3.43Å
43	T	49.4	Very low	43.7	Very low	55 Å²	55	66.9 Å²	66.9	34%	0.337	36%	0.359	S	S	.	.			trans	-116.4	100.1	149.2	-66.7	0	0	0	0	104	T45 S58 K60 S93	T43-T45 PolarHBondContact O-N 2.8Å; T43-T45 PolarHBondContact O-OG1 2.87Å; T43-S58 WeakPolarHBondContact CG2-OG 3.27Å; T43-K60 HydrophobicContact CG2-CG 4.01Å; T43-S93 PolarHBondContact O-OG 2.94Å
44	L	56	Low	43.7	Very low	1 Å²	1	69.1 Å²	69.1	1%	0.005	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	120.6	178.1	-161.2	82.5	0	0	0	107	L46 I59 D86 I114 A173	L44-L46 HydrophobicContact CD2-CD2 3.93Å; L44-L46 HydrophobicContact CD2-CG 4.25Å; L44-L46 HydrophobicContact CG-CD2 4.42Å; L44-I59 HydrophobicContact CB-CB 4.23Å; L44-I59 HydrophobicContact CD2-CD1 4.22Å; L44-I59 PolarHBondContact N-O 3.12Å; L44-I59 PolarHBondContact O-N 3.37Å; L44-D86 HydrophobicContact CD1-CB 4.08Å; L44-I114 HydrophobicContact CD2-CD1 4.24Å; L44-A173 HydrophobicContact CD2-CB 4.47Å
45	T	56	Low	44.1	Very low	58 Å²	58	70.5 Å²	70.5	36%	0.356	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	98.1	-176.9	-51.4	0	0	0	0	108.7	T43 G47 D86	T43-T45 PolarHBondContact O-N 2.8Å; T43-T45 PolarHBondContact O-OG1 2.87Å; T45-G47 PolarHBondContact O-N 2.94Å; T45-D86 PolarHBondContact N-OD2 3.46Å
46	L	54.9	Low	44.6	Very low	5 Å²	5	69.2 Å²	69.2	3%	0.026	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	121	-179.8	-63	172	0	0	0	109.6	L44 T56 V57 I59 I114 A173	L44-L46 HydrophobicContact CD2-CD2 3.93Å; L44-L46 HydrophobicContact CD2-CG 4.25Å; L44-L46 HydrophobicContact CG-CD2 4.42Å; L46-T56 WeakPolarHBondContact O-CA 3.4Å; L46-V57 HydrophobicContact CB-CB 4.49Å; L46-V57 PolarHBondContact N-O 2.74Å; L46-V57 PolarHBondContact O-N 2.9Å; L46-I59 HydrophobicContact CD1-CD1 4.11Å; L46-I114 HydrophobicContact CD1-CD1 3.76Å; L46-I114 HydrophobicContact CD1-CG1 3.72Å; L46-I114 HydrophobicContact CD2-CD1 4.46Å; L46-A173 WeakPolarHBondContact CD2-O 3.25Å
47	G	51.1	Low	45.5	Very low	5 Å²	5	65.5 Å²	65.5	5%	0.052	36%	0.364	C	S	.	.			trans	-60.4	154.4	174.1	0	0	0	0	0	112.3	T45 Y49 Y50	T45-G47 PolarHBondContact O-N 2.94Å; G47-Y49 PolarHBondContact O-N 2.97Å; G47-Y50 PolarHBondContact O-N 2.78Å
48	P	40.4	Very low	46.1	Very low	67 Å²	67	64.9 Å²	64.9	44%	0.435	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	0.2	-170.3	30.9	-37.2	0	0	0	114.7
49	Y	44.7	Very low	47	Very low	216 Å²	216	62.2 Å²	62.2	85%	0.847	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-17.4	170	-75.1	-79.9	0	0	0	113.4	G47	G47-Y49 PolarHBondContact O-N 2.97Å
50	Y	45.7	Very low	47.3	Very low	59 Å²	59	69.2 Å²	69.2	23%	0.231	39%	0.385	C	S	.	.	S	Bend	trans	-111.3	8	-171.1	-55.5	-67.9	0	0	0	113.8	G47 D118 R175	G47-Y50 PolarHBondContact O-N 2.78Å; Y50-D118 WeakPolarHBondContact CD1-OD2 3.48Å; Y50-R175 PolarHBondContact OH-N 2.83Å; Y50-R175 PolarHBondContact OH-O 3.15Å; Y50-R175 VanDerWaalsContact OH-O 3.08Å
51	S	35.5	Very low	47.7	Very low	33 Å²	33	70.9 Å²	70.9	23%	0.231	40%	0.396	C	S	.	.	S	Bend	trans	-124	146.9	175.6	46.4	0	0	0	0	110.3	G53 T55	S51-G53 PolarHBondContact O-N 2.77Å; S51-G53 PolarHBondContact OG-O 3.46Å; S51-T55 PolarHBondContact OG-O 2.76Å; S51-T55 VanDerWaalsContact OG-O 3.07Å
52	I	39.8	Very low	48.3	Very low	194 Å²	194	73.2 Å²	73.2	100%	0.995	41%	0.405	S	S	*	.	S	Bend	trans	-78.9	66	175.3	-49.8	177.9	0	0	0	108.8
53	G	38.4	Very low	48.8	Very low	30 Å²	30	75.8 Å²	75.8	31%	0.309	42%	0.416	S	S	.	.	S	Bend	trans	156.6	153.3	-178.3	0	0	0	0	0	112.5	S51 T55	S51-G53 PolarHBondContact O-N 2.77Å; S51-G53 PolarHBondContact OG-O 3.46Å; G53-T55 PolarHBondContact O-N 2.71Å
54	P	38.1	Very low	49.7	Very low	126 Å²	126	74.2 Å²	74.2	82%	0.818	41%	0.405	S	S	*	.	S	Bend	trans	-78.4	32	-169.6	34.7	-38.9	0	0	0	114.3
55	T	41.6	Very low	50.6	Low	96 Å²	96	77.3 Å²	77.3	59%	0.589	42%	0.424	S	S	*	.	S	Bend	trans	-121.8	131	-174.9	47.8	0	0	0	0	111.6	S51 G53 V57	S51-T55 PolarHBondContact OG-O 2.76Å; S51-T55 VanDerWaalsContact OG-O 3.07Å; G53-T55 PolarHBondContact O-N 2.71Å; T55-V57 PolarHBondContact O-N 2.89Å
56	T	48.2	Very low	51.5	Low	90 Å²	90	77.3 Å²	77.3	55%	0.552	44%	0.436	S	S	*	.			trans	-69.1	115.7	174.9	34.2	0	0	0	0	110.6	L46 S58	L46-T56 WeakPolarHBondContact O-CA 3.4Å; T56-S58 PolarHBondContact O-N 2.72Å
57	V	52.2	Low	52.9	Low	62 Å²	62	82.4 Å²	82.4	38%	0.376	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	113.1	-178.3	-178.4	0	0	0	0	109.3	L46 T55 I59	L46-V57 HydrophobicContact CB-CB 4.49Å; L46-V57 PolarHBondContact N-O 2.74Å; L46-V57 PolarHBondContact O-N 2.9Å; T55-V57 PolarHBondContact O-N 2.89Å; V57-I59 HydrophobicContact CG1-CG1 4.22Å
58	S	53.3	Low	54.4	Low	57 Å²	57	85.5 Å²	85.5	40%	0.399	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	97	179.3	-173.6	0	0	0	0	110.3	T43 T56 K60	T43-S58 WeakPolarHBondContact CG2-OG 3.27Å; T56-S58 PolarHBondContact O-N 2.72Å; S58-K60 PolarHBondContact O-N 3.03Å; S58-K60 WeakPolarHBondContact OG-CE 3.43Å
59	I	59.1	Low	56.5	Low	19 Å²	19	83.6 Å²	83.6	10%	0.097	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	110.1	178.8	-54.7	-178.4	0	0	0	108.8	L44 L46 V57 L95 L112 I114	L44-I59 HydrophobicContact CB-CB 4.23Å; L44-I59 HydrophobicContact CD2-CD1 4.22Å; L44-I59 PolarHBondContact N-O 3.12Å; L44-I59 PolarHBondContact O-N 3.37Å; L46-I59 HydrophobicContact CD1-CD1 4.11Å; V57-I59 HydrophobicContact CG1-CG1 4.22Å; I59-L95 HydrophobicContact CG2-CD2 4.41Å; I59-L112 HydrophobicContact CD1-CB 4.25Å; I59-L112 WeakPolarHBondContact CD1-O 3.31Å; I59-I114 HydrophobicContact CD1-CD1 4.17Å; I59-I114 HydrophobicContact CD1-CG1 4.49Å
60	K	51.6	Low	58.3	Low	156 Å²	156	75.6 Å²	75.6	68%	0.678	44%	0.444	S	S	*	.			trans	-116.5	118.2	178.6	-66.9	179.8	-177.6	174	0	110.1	T43 S58	T43-K60 HydrophobicContact CG2-CG 4.01Å; S58-K60 PolarHBondContact O-N 3.03Å; S58-K60 WeakPolarHBondContact OG-CE 3.43Å
61	C	55.7	Low	60.3	Low	35 Å²	35	79.4 Å²	79.4	24%	0.236	46%	0.461	C	S	.	.			trans	-130.2	146	-176.7	-58.1	0	0	0	0	111.9	N38 T39 L95	N38-C61 HydrophobicContact CB-CB 4.44Å; T39-C61 CarbonylContact O-C 3.4Å; T39-C61 WeakPolarHBondContact O-CB 3.49Å; T39-C61 PolarHBondContact OG1-SG 3.43Å; T39-C61 VanDerWaalsContact OG1-SG 3.34Å; C61-L95 HydrophobicContact CB-CD1 4.47Å
62	K	55.5	Low	62.9	Low	144 Å²	144	78.7 Å²	78.7	63%	0.626	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-68.4	130.7	-176.8	-177.2	-172.7	173.3	-168.9	0	111	N38 F64	N38-K62 HydrophobicContact CB-CB 3.99Å; N38-K62 PolarHBondContact OD1-N 3.2Å; K62-F64 PolarHBondContact O-N 2.96Å
63	P	58.7	Low	65.1	Low	83 Å²	83	70 Å²	70	54%	0.539	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-65.2	131.9	-179.5	26.6	-34.8	0	0	0	112.9
64	F	66.9	Low	67.4	Low	22 Å²	22	73 Å²	73	10%	0.096	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-56.1	130.7	164	-95.7	-108.2	0	0	0	110.2	Y37 N38 S40 K62 E68 K69 P98	Y37-F64 HydrophobicContact CD1-CE2 4.39Å; Y37-F64 AromaticContact CD1-CZ 3.89Å; Y37-F64 HydrophobicContact CD1-CZ 3.89Å; Y37-F64 HydrophobicContact CE1-CE1 4.05Å; Y37-F64 HydrophobicContact CE1-CE2 4.47Å; Y37-F64 AromaticContact CE1-CZ 3.63Å; Y37-F64 HydrophobicContact CE1-CZ 3.63Å; N38-F64 WeakPolarHBondContact O-CD2 3.38Å; N38-F64 WeakPolarHBondContact O-CE2 3.24Å; S40-F64 VanDerWaalsContact CB-N 3.33Å; K62-F64 PolarHBondContact O-N 2.96Å; F64-E68 HydrophobicContact CD1-CB 3.52Å; F64-E68 HydrophobicContact CE1-CB 4.08Å; F64-E68 HydrophobicContact CG-CB 4.37Å; F64-K69 HydrophobicContact CB-CD 4.41Å; F64-K69 HydrophobicContact CB-CG 3.8Å; F64-K69 HydrophobicContact CD1-CG 3.83Å; F64-K69 HydrophobicContact CG-CG 4.18Å; F64-P98 HydrophobicContact CE2-CG 4.2Å; F64-P98 HydrophobicContact CZ-CB 4.26Å; F64-P98 HydrophobicContact CZ-CG 4Å
65	T	74.3	Confident	69.9	Low	66 Å²	66	71.5 Å²	71.5	41%	0.405	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-69	155.8	163.5	63.2	0	0	0	0	110.8	T67 E68 K69	T65-T67 WeakPolarHBondContact CB-OG1 3.34Å; T65-T67 PolarHBondContact O-N 3.31Å; T65-T67 PolarHBondContact OG1-OG1 3.08Å; T65-E68 VanDerWaalsContact CB-OE2 3.27Å; T65-E68 WeakPolarHBondContact CB-OE2 3.47Å; T65-E68 WeakPolarHBondContact CG2-OE2 3.43Å; T65-E68 PolarHBondContact N-OE2 2.92Å; T65-E68 PolarHBondContact O-N 3.25Å; T65-E68 VanDerWaalsContact OG1-CD 3.3Å; T65-E68 WeakPolarHBondContact OG1-CG 3.46Å; T65-E68 PolarHBondContact OG1-N 2.78Å; T65-E68 PolarHBondContact OG1-OE2 3.05Å; T65-K69 PolarHBondContact O-N 2.68Å
66	G	76.4	Confident	72.1	Confident	59 Å²	59	67.8 Å²	67.8	61%	0.608	39%	0.386	S	S	*	.	H	α-helix	trans	-56.7	-34	174.6	0	0	0	0	0	113.1	K69 A70	G66-K69 PolarHBondContact O-N 2.92Å; G66-A70 WeakPolarHBondContact O-CB 3.48Å; G66-A70 PolarHBondContact O-N 2.91Å
67	T	82.9	Confident	74	Confident	111 Å²	111	64.2 Å²	64.2	68%	0.681	37%	0.365	S	S	*	.	H	α-helix	trans	-61	-42.9	171.3	27	0	0	0	0	113.7	T65 K71	T65-T67 WeakPolarHBondContact CB-OG1 3.34Å; T65-T67 PolarHBondContact O-N 3.31Å; T65-T67 PolarHBondContact OG1-OG1 3.08Å; T67-K71 VanDerWaalsContact O-CB 3.28Å; T67-K71 WeakPolarHBondContact O-CB 3.34Å; T67-K71 PolarHBondContact O-N 3.35Å
68	E	83.3	Confident	75.8	Confident	71 Å²	71	63.7 Å²	63.7	33%	0.332	36%	0.359	S	S	.	.	H	α-helix	trans	-69.7	-35.7	176.4	-72.1	157.3	130.5	0	0	111.1	F64 T65 K71 W72	F64-E68 HydrophobicContact CD1-CB 3.52Å; F64-E68 HydrophobicContact CE1-CB 4.08Å; F64-E68 HydrophobicContact CG-CB 4.37Å; T65-E68 VanDerWaalsContact CB-OE2 3.27Å; T65-E68 WeakPolarHBondContact CB-OE2 3.47Å; T65-E68 WeakPolarHBondContact CG2-OE2 3.43Å; T65-E68 PolarHBondContact N-OE2 2.92Å; T65-E68 PolarHBondContact O-N 3.25Å; T65-E68 VanDerWaalsContact OG1-CD 3.3Å; T65-E68 WeakPolarHBondContact OG1-CG 3.46Å; T65-E68 PolarHBondContact OG1-N 2.78Å; T65-E68 PolarHBondContact OG1-OE2 3.05Å; E68-K71 PolarHBondContact O-N 3.32Å; E68-W72 PolarHBondContact O-N 3.12Å
69	K	83.8	Confident	77.7	Confident	26 Å²	26	62.1 Å²	62.1	11%	0.113	35%	0.346	C	S	.	.	H	α-helix	trans	-66.7	-45.6	175.7	-61.7	-165	-170.6	-176.3	0	112.6	F64 T65 G66 K71 W72 I73 F81 D161	F64-K69 HydrophobicContact CB-CD 4.41Å; F64-K69 HydrophobicContact CB-CG 3.8Å; F64-K69 HydrophobicContact CD1-CG 3.83Å; F64-K69 HydrophobicContact CG-CG 4.18Å; T65-K69 PolarHBondContact O-N 2.68Å; G66-K69 PolarHBondContact O-N 2.92Å; K69-K71 VanDerWaalsContact C-N 3.31Å; K69-K71 PolarHBondContact O-N 2.68Å; K69-W72 PolarHBondContact O-N 3.15Å; K69-W72 VanDerWaalsContact O-N 3.15Å; K69-I73 PolarHBondContact O-N 2.98Å; K69-I73 VanDerWaalsContact O-N 3.11Å; K69-F81 HydrophobicContact CB-CE2 3.91Å; K69-F81 HydrophobicContact CB-CZ 3.76Å; K69-F81 HydrophobicContact CD-CE2 4.28Å; K69-F81 HydrophobicContact CD-CZ 4.2Å; K69-F81 HydrophobicContact CG-CE2 4.22Å; K69-F81 HydrophobicContact CG-CZ 3.8Å; K69-D161 WeakPolarHBondContact CD-OD2 3.28Å; K69-D161 IonicContact NZ-OD1 2.68Å; K69-D161 PolarHBondContact NZ-OD1 2.86Å; K69-D161 IonicContact NZ-OD2 3.43Å; K69-D161 PolarHBondContact NZ-OD2 2.79Å
70	A	84	Confident	79.3	Confident	49 Å²	49	61.2 Å²	61.2	41%	0.405	34%	0.341	S	S	.	.	H	α-helix	trans	-60.6	-41.5	173.9	0	0	0	0	0	111.5	G66 W72 S74	G66-A70 WeakPolarHBondContact O-CB 3.48Å; G66-A70 PolarHBondContact O-N 2.91Å; A70-W72 VanDerWaalsContact C-N 3.33Å; A70-W72 PolarHBondContact O-N 2.83Å; A70-S74 WeakPolarHBondContact O-CB 3.19Å; A70-S74 PolarHBondContact O-N 2.75Å; A70-S74 VanDerWaalsContact O-N 3.09Å; A70-S74 PolarHBondContact O-OG 2.74Å
71	K	87.4	Confident	81.1	Confident	138 Å²	138	53.9 Å²	53.9	60%	0.6	31%	0.309	S	S	*	.	H	α-helix	trans	-64.8	-30.8	174.2	-172.2	175.2	179.4	180	0	113.2	T67 E68 K69 S74 Q75	T67-K71 VanDerWaalsContact O-CB 3.28Å; T67-K71 WeakPolarHBondContact O-CB 3.34Å; T67-K71 PolarHBondContact O-N 3.35Å; E68-K71 PolarHBondContact O-N 3.32Å; K69-K71 VanDerWaalsContact C-N 3.31Å; K69-K71 PolarHBondContact O-N 2.68Å; K71-S74 WeakPolarHBondContact CA-OG 3.12Å; K71-S74 PolarHBondContact O-OG 2.8Å; K71-Q75 WeakPolarHBondContact O-CG 3.47Å; K71-Q75 PolarHBondContact O-NE2 2.86Å
72	W	88.8	Confident	82.8	Confident	18 Å²	18	52.3 Å²	52.3	7%	0.068	30%	0.298	C	S	.	.	H	α-helix	trans	-70.3	-53.1	174.9	176.1	-113.2	0	0	0	112.1	E68 K69 A70 S74 Q75 H79 G80 F81 P98 T100	E68-W72 PolarHBondContact O-N 3.12Å; K69-W72 PolarHBondContact O-N 3.15Å; K69-W72 VanDerWaalsContact O-N 3.15Å; A70-W72 VanDerWaalsContact C-N 3.33Å; A70-W72 PolarHBondContact O-N 2.83Å; W72-S74 VanDerWaalsContact C-N 3.3Å; W72-S74 PolarHBondContact O-N 3.4Å; W72-Q75 PolarHBondContact O-N 2.84Å; W72-H79 AromaticContact CD2-ND1 3.58Å; W72-H79 AromaticContact CE2-CG 3.96Å; W72-H79 AromaticContact CE2-ND1 3.59Å; W72-H79 AromaticContact CE3-CE1 3.9Å; W72-H79 AromaticContact CE3-ND1 3.53Å; W72-H79 AromaticContact CH2-CE1 3.56Å; W72-H79 AromaticContact CH2-ND1 3.55Å; W72-H79 HydrophobicContact CZ2-CB 4.2Å; W72-H79 AromaticContact CZ2-CG 3.86Å; W72-H79 AromaticContact CZ2-ND1 3.59Å; W72-H79 AromaticContact CZ3-CE1 3.48Å; W72-H79 VanDerWaalsContact CZ3-CE1 3.48Å; W72-H79 WeakPolarHBondContact CZ3-CE1 3.4Å; W72-H79 AromaticContact CZ3-ND1 3.52Å; W72-H79 PolarHBondContact O-ND1 3.29Å; W72-H79 VanDerWaalsContact O-ND1 3.09Å; W72-G80 PolarHBondContact NE1-O 3.09Å; W72-F81 HydrophobicContact CB-CZ 4.13Å; W72-F81 AromaticContact CD1-CE1 3.63Å; W72-F81 AromaticContact CD1-CZ 3.5Å; W72-F81 VanDerWaalsContact CD1-CZ 3.5Å; W72-F81 HydrophobicContact CG-CE1 4.35Å; W72-F81 HydrophobicContact CG-CZ 4.12Å; W72-P98 HydrophobicContact CD2-CB 4.05Å; W72-P98 HydrophobicContact CG-CB 4.32Å; W72-P98 HydrophobicContact CZ2-CB 3.98Å; W72-T100 HydrophobicContact CH2-CG2 4.39Å; W72-T100 HydrophobicContact CZ2-CG2 4.33Å
73	I	87.3	Confident	84.4	Confident	11 Å²	11	45.9 Å²	45.9	6%	0.056	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-34.4	-177.8	-74.8	176.4	0	0	0	112.2	K69 Q75 F81 Q157 F158	K69-I73 PolarHBondContact O-N 2.98Å; K69-I73 VanDerWaalsContact O-N 3.11Å; I73-Q75 VanDerWaalsContact C-N 3.29Å; I73-Q75 PolarHBondContact O-N 2.91Å; I73-F81 HydrophobicContact CD1-CD2 3.89Å; I73-F81 HydrophobicContact CD1-CE2 3.58Å; I73-F81 HydrophobicContact CG1-CD2 4.31Å; I73-F81 HydrophobicContact CG1-CE2 3.8Å; I73-Q157 HydrophobicContact CD1-CB 4.08Å; I73-Q157 WeakPolarHBondContact CD1-O 3.38Å; I73-Q157 HydrophobicContact CG1-CB 4.13Å; I73-Q157 HydrophobicContact CG2-CB 3.91Å; I73-Q157 HydrophobicContact CG2-CG 4.48Å; I73-Q157 PolarHBondContact O-NE2 2.93Å; I73-F158 HydrophobicContact CD1-CD1 3.41Å; I73-F158 VanDerWaalsContact CD1-CD1 3.41Å; I73-F158 HydrophobicContact CD1-CD2 4.49Å; I73-F158 HydrophobicContact CD1-CE1 3.48Å; I73-F158 VanDerWaalsContact CD1-CE1 3.48Å; I73-F158 HydrophobicContact CD1-CG 3.94Å; I73-F158 HydrophobicContact CD1-CZ 4.07Å; I73-F158 HydrophobicContact CG2-CE1 4.42Å; I73-F158 HydrophobicContact CG2-CE2 4.17Å; I73-F158 HydrophobicContact CG2-CZ 3.96Å
74	S	87.3	Confident	85.8	Confident	94 Å²	94	42 Å²	42	66%	0.657	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-8.7	-178.6	49.9	0	0	0	0	115.3	A70 K71 W72	A70-S74 WeakPolarHBondContact O-CB 3.19Å; A70-S74 PolarHBondContact O-N 2.75Å; A70-S74 VanDerWaalsContact O-N 3.09Å; A70-S74 PolarHBondContact O-OG 2.74Å; K71-S74 WeakPolarHBondContact CA-OG 3.12Å; K71-S74 PolarHBondContact O-OG 2.8Å; W72-S74 VanDerWaalsContact C-N 3.3Å; W72-S74 PolarHBondContact O-N 3.4Å
75	Q	88.8	Confident	86.5	Confident	95 Å²	95	41.2 Å²	41.2	44%	0.444	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-44.5	-179.6	-77.2	165.8	52	0	0	112.7	K71 W72 I73	K71-Q75 WeakPolarHBondContact O-CG 3.47Å; K71-Q75 PolarHBondContact O-NE2 2.86Å; W72-Q75 PolarHBondContact O-N 2.84Å; I73-Q75 VanDerWaalsContact C-N 3.29Å; I73-Q75 PolarHBondContact O-N 2.91Å
76	A	89.2	Confident	86.6	Confident	17 Å²	17	38.5 Å²	38.5	14%	0.14	22%	0.224	C	C	.	.			trans	-157.5	162.3	177.4	0	0	0	0	0	111.8	D78 H79 Q157	A76-D78 VanDerWaalsContact C-N 3.31Å; A76-D78 WeakPolarHBondContact CB-OD1 3.24Å; A76-D78 PolarHBondContact O-N 2.85Å; A76-H79 WeakPolarHBondContact O-CB 3.15Å; A76-H79 PolarHBondContact O-N 2.67Å; A76-Q157 PolarHBondContact O-NE2 3.49Å
77	V	87.5	Confident	86.4	Confident	16 Å²	16	36 Å²	36	10%	0.097	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-16.9	-173.9	-61.3	0	0	0	0	113.6	V153 F1294 K1297	V77-V153 HydrophobicContact CB-CG1 4.21Å; V77-V153 WeakPolarHBondContact O-CG1 3.5Å; V77-F1294 HydrophobicContact CG1-CE2 4.04Å; V77-K1297 HydrophobicContact CG2-CB 4Å
78	D	91.2	Very high	85.6	Confident	50 Å²	50	36.7 Å²	36.7	27%	0.267	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-9.9	175.9	59.5	-67.9	0	0	0	113.1	A76 T100 L101 L138	A76-D78 VanDerWaalsContact C-N 3.31Å; A76-D78 WeakPolarHBondContact CB-OD1 3.24Å; A76-D78 PolarHBondContact O-N 2.85Å; D78-T100 CarbonylContact O-C 3.52Å; D78-T100 VanDerWaalsContact O-CA 3.24Å; D78-T100 WeakPolarHBondContact O-CA 3.2Å; D78-L101 HydrophobicContact CB-CB 4.32Å; D78-L101 HydrophobicContact CB-CD1 3.9Å; D78-L101 HydrophobicContact CB-CG 3.96Å; D78-L101 PolarHBondContact O-N 2.71Å; D78-L138 WeakPolarHBondContact O-CD2 3.38Å
79	H	92.4	Very high	84.5	Confident	25 Å²	25	35.8 Å²	35.8	12%	0.116	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	144	171.5	-73.7	-151.1	0	0	0	110.7	W72 A76 C99 Q157	W72-H79 AromaticContact CD2-ND1 3.58Å; W72-H79 AromaticContact CE2-CG 3.96Å; W72-H79 AromaticContact CE2-ND1 3.59Å; W72-H79 AromaticContact CE3-CE1 3.9Å; W72-H79 AromaticContact CE3-ND1 3.53Å; W72-H79 AromaticContact CH2-CE1 3.56Å; W72-H79 AromaticContact CH2-ND1 3.55Å; W72-H79 HydrophobicContact CZ2-CB 4.2Å; W72-H79 AromaticContact CZ2-CG 3.86Å; W72-H79 AromaticContact CZ2-ND1 3.59Å; W72-H79 AromaticContact CZ3-CE1 3.48Å; W72-H79 VanDerWaalsContact CZ3-CE1 3.48Å; W72-H79 WeakPolarHBondContact CZ3-CE1 3.4Å; W72-H79 AromaticContact CZ3-ND1 3.52Å; W72-H79 PolarHBondContact O-ND1 3.29Å; W72-H79 VanDerWaalsContact O-ND1 3.09Å; A76-H79 WeakPolarHBondContact O-CB 3.15Å; A76-H79 PolarHBondContact O-N 2.67Å; H79-C99 CarbonylContact C-O 3.59Å; H79-Q157 VanDerWaalsContact O-CG 3.26Å; H79-Q157 WeakPolarHBondContact O-CG 3.29Å; H79-Q157 PolarHBondContact O-NE2 3.38Å
80	G	91.9	Very high	83.3	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	-163.2	173	0	0	0	0	0	112.2	W72 C99	W72-G80 PolarHBondContact NE1-O 3.09Å; G80-C99 PolarHBondContact N-O 3.43Å; G80-C99 PolarHBondContact O-N 3.17Å; G80-C99 VanDerWaalsContact O-O 3.11Å
81	F	90.4	Very high	82.2	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.009	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	146.3	177.4	-66.6	-65.8	0	0	0	111	K69 W72 I73 V96 V97 P98 Q141 G160 D161	K69-F81 HydrophobicContact CB-CE2 3.91Å; K69-F81 HydrophobicContact CB-CZ 3.76Å; K69-F81 HydrophobicContact CD-CE2 4.28Å; K69-F81 HydrophobicContact CD-CZ 4.2Å; K69-F81 HydrophobicContact CG-CE2 4.22Å; K69-F81 HydrophobicContact CG-CZ 3.8Å; W72-F81 HydrophobicContact CB-CZ 4.13Å; W72-F81 AromaticContact CD1-CE1 3.63Å; W72-F81 AromaticContact CD1-CZ 3.5Å; W72-F81 VanDerWaalsContact CD1-CZ 3.5Å; W72-F81 HydrophobicContact CG-CE1 4.35Å; W72-F81 HydrophobicContact CG-CZ 4.12Å; I73-F81 HydrophobicContact CD1-CD2 3.89Å; I73-F81 HydrophobicContact CD1-CE2 3.58Å; I73-F81 HydrophobicContact CG1-CD2 4.31Å; I73-F81 HydrophobicContact CG1-CE2 3.8Å; F81-V96 HydrophobicContact CB-CG1 3.79Å; F81-V96 HydrophobicContact CD1-CG1 3.61Å; F81-V96 HydrophobicContact CE1-CG1 4.47Å; F81-V96 HydrophobicContact CG-CG1 3.89Å; F81-V97 WeakPolarHBondContact CA-O 3.38Å; F81-P98 HydrophobicContact CD1-CB 4.26Å; F81-P98 HydrophobicContact CE1-CB 3.99Å; F81-Q141 PolarHBondContact O-NE2 3.16Å; F81-G160 WeakPolarHBondContact O-CA 3.4Å; F81-D161 HydrophobicContact CD2-CB 4.25Å
82	V	90.7	Very high	80.9	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.1	167.3	175.4	0	0	0	0	107.7	L84 V96 V97 C99 L137 L138 F171	V82-L84 HydrophobicContact CG1-CD2 4.43Å; V82-V96 WeakPolarHBondContact O-CA 3.47Å; V82-V97 PolarHBondContact N-O 2.94Å; V82-V97 PolarHBondContact O-N 3.23Å; V82-C99 HydrophobicContact CG2-CB 4.27Å; V82-L137 HydrophobicContact CG1-CB 4.14Å; V82-L137 HydrophobicContact CG2-CB 4Å; V82-L138 HydrophobicContact CG2-CB 3.87Å; V82-L138 HydrophobicContact CG2-CD1 4.09Å; V82-F171 HydrophobicContact CG1-CB 4.29Å; V82-F171 HydrophobicContact CG1-CD2 3.5Å; V82-F171 HydrophobicContact CG1-CE2 3.99Å; V82-F171 HydrophobicContact CG1-CG 3.96Å
83	R	89	Confident	80.1	Confident	10 Å²	10	39 Å²	39	4%	0.038	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	114.3	177.2	-174.8	172.4	-78.4	-90	5.7	110.3	Y85 S94 V96 D161	R83-Y85 HydrophobicContact CB-CE2 4.04Å; R83-Y85 VanDerWaalsContact CD-CZ 3.5Å; R83-Y85 WeakPolarHBondContact CD-OH 3.49Å; R83-Y85 HydrophobicContact CG-CD2 4.34Å; R83-Y85 HydrophobicContact CG-CE1 4.31Å; R83-Y85 HydrophobicContact CG-CE2 3.76Å; R83-Y85 WeakPolarHBondContact O-CD2 3.32Å; R83-Y85 WeakPolarHBondContact O-CE2 3.4Å; R83-S94 WeakPolarHBondContact CD-OG 3.41Å; R83-S94 PolarHBondContact NH1-OG 2.97Å; R83-V96 HydrophobicContact CG-CG2 4.44Å; R83-D161 PolarHBondContact NE-O 2.9Å; R83-D161 PolarHBondContact NH2-O 2.85Å; R83-D161 IonicContact NH2-OD1 3.78Å
84	L	87.7	Confident	79.8	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	122.6	171.8	-58.9	-178.4	0	0	0	109	V82 S94 L95 V97 V108 L112 F119 F171	V82-L84 HydrophobicContact CG1-CD2 4.43Å; L84-S94 CarbonylContact O-C 3.55Å; L84-S94 WeakPolarHBondContact O-CA 3.44Å; L84-S94 VanDerWaalsContact O-CB 3.23Å; L84-S94 WeakPolarHBondContact O-CB 3.04Å; L84-L95 PolarHBondContact N-O 3.44Å; L84-L95 PolarHBondContact O-N 3.46Å; L84-V97 HydrophobicContact CD1-CG2 3.75Å; L84-V97 HydrophobicContact CG-CG2 4.01Å; L84-V108 HydrophobicContact CD1-CG1 4.13Å; L84-L112 HydrophobicContact CD1-CD1 3.47Å; L84-L112 VanDerWaalsContact CD1-CD1 3.47Å; L84-F119 HydrophobicContact CD1-CE1 4.01Å; L84-F119 HydrophobicContact CD2-CD1 4.34Å; L84-F119 HydrophobicContact CD2-CE1 3.88Å; L84-F171 CarbonylContact C-O 3.59Å; L84-F171 WeakPolarHBondContact CA-O 3.15Å; L84-F171 HydrophobicContact CD2-CB 3.76Å
85	Y	82.6	Confident	79.5	Confident	6 Å²	6	34.2 Å²	34.2	2%	0.024	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	147.6	178.4	-66.3	-94.6	0	0	0	110.4	R83 L91 I163 G166 R170 F171 Y172	R83-Y85 HydrophobicContact CB-CE2 4.04Å; R83-Y85 VanDerWaalsContact CD-CZ 3.5Å; R83-Y85 WeakPolarHBondContact CD-OH 3.49Å; R83-Y85 HydrophobicContact CG-CD2 4.34Å; R83-Y85 HydrophobicContact CG-CE1 4.31Å; R83-Y85 HydrophobicContact CG-CE2 3.76Å; R83-Y85 WeakPolarHBondContact O-CD2 3.32Å; R83-Y85 WeakPolarHBondContact O-CE2 3.4Å; Y85-L91 HydrophobicContact CD1-CD2 3.82Å; Y85-L91 HydrophobicContact CE1-CD2 3.52Å; Y85-I163 PolarHBondContact OH-O 3.39Å; Y85-G166 WeakPolarHBondContact OH-CA 3.49Å; Y85-G166 PolarHBondContact OH-N 3.45Å; Y85-R170 HydrophobicContact CD2-CB 3.76Å; Y85-R170 HydrophobicContact CD2-CG 3.96Å; Y85-R170 HydrophobicContact CE2-CB 4.16Å; Y85-R170 HydrophobicContact CE2-CG 4.08Å; Y85-R170 HydrophobicContact CG-CB 4.36Å; Y85-R170 HydrophobicContact CG-CG 4.32Å; Y85-F171 PolarHBondContact N-O 2.79Å; Y85-Y172 WeakPolarHBondContact O-CD1 3.44Å
86	D	76	Confident	79.2	Confident	8 Å²	8	29.7 Å²	29.7	4%	0.043	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-68.7	129.5	174.9	-168	-60.4	0	0	0	110.3	L44 T45 E88 A89 S93	L44-D86 HydrophobicContact CD1-CB 4.08Å; T45-D86 PolarHBondContact N-OD2 3.46Å; D86-E88 PolarHBondContact O-N 3Å; D86-E88 PolarHBondContact OD1-N 2.87Å; D86-A89 HydrophobicContact CB-CB 3.9Å; D86-A89 PolarHBondContact OD1-N 2.98Å; D86-S93 WeakPolarHBondContact CB-O 2.97Å; D86-S93 PolarHBondContact N-O 2.94Å; D86-S93 VanDerWaalsContact N-O 3.11Å
87	P	71.7	Confident	79.1	Confident	6 Å²	6	29.1 Å²	29.1	4%	0.039	17%	0.17	C	C	.	.	S	Bend	trans	-64.8	-19.4	-177.5	-23.2	34.1	0	0	0	115.5	A173 P176 S177	P87-A173 WeakPolarHBondContact CG-O 3.38Å; P87-P176 WeakPolarHBondContact O-CA 3.16Å; P87-S177 PolarHBondContact O-N 3.19Å
88	E	66.2	Low	79.1	Confident	126 Å²	126	28.5 Å²	28.5	59%	0.589	17%	0.166	S	C	*	.	S	Bend	trans	-116.1	-8.1	-172.9	-60.2	-172.2	179.4	0	0	113.5	D86	D86-E88 PolarHBondContact O-N 3Å; D86-E88 PolarHBondContact OD1-N 2.87Å
89	A	60.4	Low	79.1	Confident	52 Å²	52	26.1 Å²	26.1	43%	0.43	15%	0.154	S	C	.	.	S	Bend	trans	-110.6	160.2	-173	0	0	0	0	0	114.9	D86	D86-A89 HydrophobicContact CB-CB 3.9Å; D86-A89 PolarHBondContact OD1-N 2.98Å
90	L	58.6	Low	79.1	Confident	160 Å²	160	26.3 Å²	26.3	84%	0.838	16%	0.157	S	C	*	.			trans	-59.9	148.7	166.7	-65.1	168.8	0	0	0	110.6	A92 S93	L90-A92 PolarHBondContact O-N 2.82Å; L90-S93 PolarHBondContact O-N 3.08Å
91	L	61.3	Low	79.1	Confident	34 Å²	34	26.7 Å²	26.7	18%	0.178	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-38.8	-23.9	-175.6	-80.3	162	0	0	0	117.7	Y85 S93 S94 Y167	Y85-L91 HydrophobicContact CD1-CD2 3.82Å; Y85-L91 HydrophobicContact CE1-CD2 3.52Å; L91-S93 VanDerWaalsContact C-N 3.32Å; L91-S93 PolarHBondContact O-N 2.77Å; L91-S94 PolarHBondContact O-OG 3.16Å; L91-Y167 HydrophobicContact CD1-CD1 4.11Å; L91-Y167 HydrophobicContact CD1-CD2 4.46Å; L91-Y167 HydrophobicContact CD1-CE1 3.47Å; L91-Y167 VanDerWaalsContact CD1-CE1 3.47Å; L91-Y167 HydrophobicContact CD1-CE2 3.87Å
92	A	60.8	Low	79.2	Confident	81 Å²	81	28.8 Å²	28.8	67%	0.669	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-30.4	174.4	0	0	0	0	0	114.3	L90 S94	L90-A92 PolarHBondContact O-N 2.82Å; A92-S94 PolarHBondContact O-N 3.47Å
93	S	72	Confident	79.3	Confident	25 Å²	25	29.5 Å²	29.5	18%	0.175	18%	0.175	C	C	.	.			trans	-86.5	101	174.1	-159.1	0	0	0	0	110.3	T43 D86 L90 L91	T43-S93 PolarHBondContact O-OG 2.94Å; D86-S93 WeakPolarHBondContact CB-O 2.97Å; D86-S93 PolarHBondContact N-O 2.94Å; D86-S93 VanDerWaalsContact N-O 3.11Å; L90-S93 PolarHBondContact O-N 3.08Å; L91-S93 VanDerWaalsContact C-N 3.32Å; L91-S93 PolarHBondContact O-N 2.77Å
94	S	79.1	Confident	79.5	Confident	1 Å²	1	30 Å²	30	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	143.1	176.2	50.9	0	0	0	0	113.1	Q41 G42 R83 L84 L91 A92	Q41-S94 CarbonylContact C-O 3.57Å; G42-S94 WeakPolarHBondContact CA-O 3.25Å; G42-S94 PolarHBondContact N-O 3.43Å; R83-S94 WeakPolarHBondContact CD-OG 3.41Å; R83-S94 PolarHBondContact NH1-OG 2.97Å; L84-S94 CarbonylContact O-C 3.55Å; L84-S94 WeakPolarHBondContact O-CA 3.44Å; L84-S94 VanDerWaalsContact O-CB 3.23Å; L84-S94 WeakPolarHBondContact O-CB 3.04Å; L91-S94 PolarHBondContact O-OG 3.16Å; A92-S94 PolarHBondContact O-N 3.47Å
95	L	81.8	Confident	79.6	Confident	2 Å²	2	30 Å²	30	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122.2	-176.8	-177.5	67.1	0	0	0	110.8	Q41 I59 C61 L84 L112	Q41-L95 WeakPolarHBondContact O-CA 3.49Å; Q41-L95 WeakPolarHBondContact O-CD1 3.3Å; I59-L95 HydrophobicContact CG2-CD2 4.41Å; C61-L95 HydrophobicContact CB-CD1 4.47Å; L84-L95 PolarHBondContact N-O 3.44Å; L84-L95 PolarHBondContact O-N 3.46Å; L95-L112 HydrophobicContact CD2-CD1 4.47Å; L95-L112 HydrophobicContact CD2-CD2 3.87Å
96	V	83.1	Confident	80	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	121.8	173.5	-174.5	0	0	0	0	109.8	T39 S40 F81 V82 R83	T39-V96 WeakPolarHBondContact CB-O 3.49Å; S40-V96 PolarHBondContact N-O 3.42Å; S40-V96 WeakPolarHBondContact O-CB 3.46Å; S40-V96 PolarHBondContact O-N 2.95Å; F81-V96 HydrophobicContact CB-CG1 3.79Å; F81-V96 HydrophobicContact CD1-CG1 3.61Å; F81-V96 HydrophobicContact CE1-CG1 4.47Å; F81-V96 HydrophobicContact CG-CG1 3.89Å; V82-V96 WeakPolarHBondContact O-CA 3.47Å; R83-V96 HydrophobicContact CG-CG2 4.44Å
97	V	86.5	Confident	80.6	Confident	6 Å²	6	36.4 Å²	36.4	4%	0.036	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.9	177.4	-173.5	0	0	0	0	109.1	T39 F81 V82 L84 C99 V108	T39-V97 HydrophobicContact CG2-CB 4.43Å; T39-V97 HydrophobicContact CG2-CG1 4.27Å; T39-V97 HydrophobicContact CG2-CG2 4.25Å; F81-V97 WeakPolarHBondContact CA-O 3.38Å; V82-V97 PolarHBondContact N-O 2.94Å; V82-V97 PolarHBondContact O-N 3.23Å; L84-V97 HydrophobicContact CD1-CG2 3.75Å; L84-V97 HydrophobicContact CG-CG2 4.01Å; V97-C99 PolarHBondContact O-N 3.44Å; V97-V108 HydrophobicContact CG1-CG1 4.36Å
98	P	87.8	Confident	81.3	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.013	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	120.3	169.7	30.2	-29.8	0	0	0	109.3	W33 F64 W72 F81	W33-P98 HydrophobicContact CH2-CG 4.24Å; W33-P98 HydrophobicContact CZ2-CG 3.89Å; F64-P98 HydrophobicContact CE2-CG 4.2Å; F64-P98 HydrophobicContact CZ-CB 4.26Å; F64-P98 HydrophobicContact CZ-CG 4Å; W72-P98 HydrophobicContact CD2-CB 4.05Å; W72-P98 HydrophobicContact CG-CB 4.32Å; W72-P98 HydrophobicContact CZ2-CB 3.98Å; F81-P98 HydrophobicContact CD1-CB 4.26Å; F81-P98 HydrophobicContact CE1-CB 3.99Å
99	C	90.3	Very high	82.3	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.007	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	158	-177.8	-66.3	0	0	0	0	110.8	H79 G80 V82 V97 T103 L138	H79-C99 CarbonylContact C-O 3.59Å; G80-C99 PolarHBondContact N-O 3.43Å; G80-C99 PolarHBondContact O-N 3.17Å; G80-C99 VanDerWaalsContact O-O 3.11Å; V82-C99 HydrophobicContact CG2-CB 4.27Å; V97-C99 PolarHBondContact O-N 3.44Å; C99-T103 HydrophobicContact CB-CG2 4.35Å; C99-L138 HydrophobicContact CB-CB 4.02Å; C99-L138 HydrophobicContact CB-CD2 4.24Å; C99-L138 WeakPolarHBondContact O-CD2 3.2Å
100	T	93.1	Very high	83.4	Confident	29 Å²	29	32.8 Å²	32.8	18%	0.178	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	168.4	157.2	67.5	0	0	0	0	109.8	W72 D78 D102 T103	W72-T100 HydrophobicContact CH2-CG2 4.39Å; W72-T100 HydrophobicContact CZ2-CG2 4.33Å; D78-T100 CarbonylContact O-C 3.52Å; D78-T100 VanDerWaalsContact O-CA 3.24Å; D78-T100 WeakPolarHBondContact O-CA 3.2Å; T100-D102 PolarHBondContact O-N 2.88Å; T100-D102 PolarHBondContact OG1-N 2.82Å; T100-T103 PolarHBondContact N-OG1 3.46Å; T100-T103 WeakPolarHBondContact O-CB 3.21Å; T100-T103 PolarHBondContact O-N 2.85Å; T100-T103 PolarHBondContact O-OG1 3.44Å; T100-T103 PolarHBondContact OG1-N 2.92Å; T100-T103 PolarHBondContact OG1-OG1 2.95Å
101	L	92.1	Very high	84.4	Confident	8 Å²	8	30.7 Å²	30.7	4%	0.042	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-24	170.4	-67.4	178.3	0	0	0	113.5	D78 R136 L138 A139 Y1301	D78-L101 HydrophobicContact CB-CB 4.32Å; D78-L101 HydrophobicContact CB-CD1 3.9Å; D78-L101 HydrophobicContact CB-CG 3.96Å; D78-L101 PolarHBondContact O-N 2.71Å; L101-R136 WeakPolarHBondContact O-CG 3.44Å; L101-R136 PolarHBondContact O-NH1 3.49Å; L101-L138 HydrophobicContact CD2-CD2 4.45Å; L101-L138 HydrophobicContact CD2-CG 4.21Å; L101-A139 HydrophobicContact CD2-CB 4.17Å; L101-Y1301 HydrophobicContact CD1-CD2 3.58Å; L101-Y1301 HydrophobicContact CD1-CE2 3.64Å; L101-Y1301 HydrophobicContact CD1-CG 4.46Å; L101-Y1301 HydrophobicContact CD2-CE2 4.3Å; L101-Y1301 HydrophobicContact CG-CE2 4.34Å
102	D	92.8	Very high	85.1	Confident	45 Å²	45	30.2 Å²	30.2	24%	0.241	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-3.4	178.1	-72	-25.4	0	0	0	113.7	T100 T104 R136 Y1304	T100-D102 PolarHBondContact O-N 2.88Å; T100-D102 PolarHBondContact OG1-N 2.82Å; D102-T104 PolarHBondContact O-N 2.83Å; D102-R136 IonicContact OD1-CZ 3.6Å; D102-R136 IonicContact OD1-NH1 3.76Å; D102-R136 PolarHBondContact OD1-NH1 2.79Å; D102-R136 IonicContact OD1-NH2 3.93Å; D102-R136 PolarHBondContact OD1-NH2 2.84Å; D102-Y1304 WeakPolarHBondContact OD1-CE2 3.43Å; D102-Y1304 PolarHBondContact OD1-OH 3.06Å
103	T	92.5	Very high	85.9	Confident	17 Å²	17	29.6 Å²	29.6	10%	0.104	18%	0.179	C	C	.	.			trans	-76.8	113.1	177	-54.7	0	0	0	0	110.5	C99 T100 Q107 V108	C99-T103 HydrophobicContact CB-CG2 4.35Å; T100-T103 PolarHBondContact N-OG1 3.46Å; T100-T103 WeakPolarHBondContact O-CB 3.21Å; T100-T103 PolarHBondContact O-N 2.85Å; T100-T103 PolarHBondContact O-OG1 3.44Å; T100-T103 PolarHBondContact OG1-N 2.92Å; T100-T103 PolarHBondContact OG1-OG1 2.95Å; T103-Q107 HydrophobicContact CG2-CB 4.45Å; T103-V108 HydrophobicContact CG2-CG2 3.71Å
104	T	93.4	Very high	86.1	Confident	20 Å²	20	29 Å²	29	12%	0.123	17%	0.173	C	C	.	.			trans	-90.6	159.6	-179.1	57.1	0	0	0	0	112.6	D102 I106 Q107 V108 D135 R136	D102-T104 PolarHBondContact O-N 2.83Å; T104-I106 VanDerWaalsContact C-N 3.27Å; T104-I106 PolarHBondContact O-N 2.9Å; T104-I106 WeakPolarHBondContact OG1-CG2 3.38Å; T104-Q107 PolarHBondContact O-N 3Å; T104-Q107 VanDerWaalsContact O-N 3.07Å; T104-Q107 WeakPolarHBondContact OG1-CG 3.08Å; T104-V108 PolarHBondContact O-N 2.94Å; T104-D135 CarbonylContact C-O 3.43Å; T104-D135 WeakPolarHBondContact CA-O 3.32Å; T104-R136 HydrophobicContact CG2-CG 4.13Å
105	C	90.3	Very high	86	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-49.8	-44.7	174.8	-73.2	0	0	0	0	112.4	Q107 V108 A109 F119 L132 D135	C105-Q107 VanDerWaalsContact C-N 3.32Å; C105-Q107 PolarHBondContact O-N 3.3Å; C105-V108 PolarHBondContact O-N 2.87Å; C105-V108 VanDerWaalsContact O-N 3.13Å; C105-A109 WeakPolarHBondContact O-CB 3.07Å; C105-A109 PolarHBondContact O-N 2.73Å; C105-F119 HydrophobicContact CB-CD2 4.21Å; C105-F119 HydrophobicContact CB-CG 4.4Å; C105-L132 WeakPolarHBondContact CB-O 3.26Å; C105-D135 PolarHBondContact N-O 2.86Å; C105-D135 PolarHBondContact SG-O 2.69Å; C105-D135 VanDerWaalsContact SG-O 3.39Å
106	I	89.9	Confident	85.7	Confident	84 Å²	84	33.7 Å²	33.7	43%	0.431	20%	0.2	S	C	.	.	H	α-helix	trans	-63.2	-32.3	179.6	-168.6	167.3	0	0	0	114.3	T104 S110 P116 A133	T104-I106 VanDerWaalsContact C-N 3.27Å; T104-I106 PolarHBondContact O-N 2.9Å; T104-I106 WeakPolarHBondContact OG1-CG2 3.38Å; I106-S110 VanDerWaalsContact O-CB 3.25Å; I106-S110 WeakPolarHBondContact O-CB 3.29Å; I106-S110 PolarHBondContact O-N 3.35Å; I106-P116 HydrophobicContact CB-CB 4Å; I106-P116 HydrophobicContact CG1-CB 4.01Å; I106-P116 HydrophobicContact CG1-CG 4.29Å; I106-A133 HydrophobicContact CB-CB 4.29Å; I106-A133 WeakPolarHBondContact CB-O 3.49Å; I106-A133 WeakPolarHBondContact CG2-O 3.13Å; I106-A133 PolarHBondContact N-O 3.21Å
107	Q	88.3	Confident	85.3	Confident	65 Å²	65	37.5 Å²	37.5	30%	0.304	22%	0.221	S	C	.	.	H	α-helix	trans	-70.3	-37.2	175.1	-66.8	169.9	7.8	0	0	111.3	L30 T103 T104 C105 K111	L30-Q107 HydrophobicContact CD1-CG 4.41Å; T103-Q107 HydrophobicContact CG2-CB 4.45Å; T104-Q107 PolarHBondContact O-N 3Å; T104-Q107 VanDerWaalsContact O-N 3.07Å; T104-Q107 WeakPolarHBondContact OG1-CG 3.08Å; C105-Q107 VanDerWaalsContact C-N 3.32Å; C105-Q107 PolarHBondContact O-N 3.3Å; Q107-K111 WeakPolarHBondContact O-CB 3.37Å; Q107-K111 PolarHBondContact O-N 3.3Å
108	V	87.8	Confident	85	Confident	6 Å²	6	38.7 Å²	38.7	4%	0.036	23%	0.227	C	C	.	.	H	α-helix	trans	-71.2	-43.2	175.1	-178.2	0	0	0	0	111.1	L84 V97 T103 T104 C105 K111 L112 F119 L137	L84-V108 HydrophobicContact CD1-CG1 4.13Å; V97-V108 HydrophobicContact CG1-CG1 4.36Å; T103-V108 HydrophobicContact CG2-CG2 3.71Å; T104-V108 PolarHBondContact O-N 2.94Å; C105-V108 PolarHBondContact O-N 2.87Å; C105-V108 VanDerWaalsContact O-N 3.13Å; V108-K111 PolarHBondContact O-N 2.87Å; V108-L112 HydrophobicContact CG1-CD1 3.73Å; V108-L112 HydrophobicContact CG1-CG 4.33Å; V108-L112 WeakPolarHBondContact O-CG 3.31Å; V108-L112 PolarHBondContact O-N 2.86Å; V108-F119 HydrophobicContact CB-CZ 4.27Å; V108-F119 HydrophobicContact CG1-CE1 4.22Å; V108-F119 HydrophobicContact CG1-CZ 3.9Å; V108-L137 HydrophobicContact CB-CD1 4.26Å; V108-L137 HydrophobicContact CG1-CD1 4.4Å; V108-L137 HydrophobicContact CG2-CD1 3.88Å
109	A	86	Confident	85	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-55.9	-53.4	174.5	0	0	0	0	0	111.7	C105 K111 L112 G113 I114 P116 F119	C105-A109 WeakPolarHBondContact O-CB 3.07Å; C105-A109 PolarHBondContact O-N 2.73Å; A109-K111 PolarHBondContact O-N 3.18Å; A109-L112 PolarHBondContact O-N 3.36Å; A109-L112 VanDerWaalsContact O-N 3.15Å; A109-G113 PolarHBondContact O-N 3.03Å; A109-I114 WeakPolarHBondContact CB-O 3.32Å; A109-I114 PolarHBondContact O-N 3.18Å; A109-I114 VanDerWaalsContact O-N 3.11Å; A109-P116 HydrophobicContact CB-CB 3.77Å; A109-F119 HydrophobicContact CB-CE2 3.71Å
110	S	84.5	Confident	84.9	Confident	103 Å²	103	38.8 Å²	38.8	72%	0.72	23%	0.227	S	C	*	.	H	α-helix	trans	-58	-34	178.4	176.4	0	0	0	0	112.6	I106	I106-S110 VanDerWaalsContact O-CB 3.25Å; I106-S110 WeakPolarHBondContact O-CB 3.29Å; I106-S110 PolarHBondContact O-N 3.35Å
111	K	78.6	Confident	84.7	Confident	115 Å²	115	37.4 Å²	37.4	50%	0.5	22%	0.218	S	C	.	.	H	α-helix	trans	-81	-26.5	179.7	-167.7	65.3	-165.2	173.7	0	114	W33 Q107 V108 A109	W33-K111 HydrophobicContact CE3-CD 4.2Å; W33-K111 HydrophobicContact CE3-CG 4.34Å; W33-K111 HydrophobicContact CH2-CG 4.04Å; W33-K111 HydrophobicContact CZ3-CD 3.94Å; W33-K111 HydrophobicContact CZ3-CG 3.62Å; Q107-K111 WeakPolarHBondContact O-CB 3.37Å; Q107-K111 PolarHBondContact O-N 3.3Å; V108-K111 PolarHBondContact O-N 2.87Å; A109-K111 PolarHBondContact O-N 3.18Å
112	L	77.5	Confident	84.3	Confident	24 Å²	24	37.1 Å²	37.1	13%	0.126	22%	0.217	C	C	.	.	H	α-helix	trans	-96.9	-14.5	179.4	-64.3	178.1	0	0	0	113.9	I59 L84 L95 V108 A109 I114	I59-L112 HydrophobicContact CD1-CB 4.25Å; I59-L112 WeakPolarHBondContact CD1-O 3.31Å; L84-L112 HydrophobicContact CD1-CD1 3.47Å; L84-L112 VanDerWaalsContact CD1-CD1 3.47Å; L95-L112 HydrophobicContact CD2-CD1 4.47Å; L95-L112 HydrophobicContact CD2-CD2 3.87Å; V108-L112 HydrophobicContact CG1-CD1 3.73Å; V108-L112 HydrophobicContact CG1-CG 4.33Å; V108-L112 WeakPolarHBondContact O-CG 3.31Å; V108-L112 PolarHBondContact O-N 2.86Å; A109-L112 PolarHBondContact O-N 3.36Å; A109-L112 VanDerWaalsContact O-N 3.15Å; L112-I114 HydrophobicContact CB-CD1 3.71Å; L112-I114 HydrophobicContact CB-CG1 3.8Å; L112-I114 HydrophobicContact CD1-CD1 4.08Å
113	G	77.3	Confident	83.8	Confident	68 Å²	68	36.6 Å²	36.6	70%	0.701	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.4	36.9	-176.5	0	0	0	0	0	113.5	A109	A109-G113 PolarHBondContact O-N 3.03Å
114	I	75.2	Confident	83.2	Confident	12 Å²	12	36 Å²	36	6%	0.062	21%	0.209	C	C	.	.			trans	-121.2	152.2	-174.4	-46.6	179.7	0	0	0	109.2	L44 L46 I59 A109 L112 A173	L44-I114 HydrophobicContact CD2-CD1 4.24Å; L46-I114 HydrophobicContact CD1-CD1 3.76Å; L46-I114 HydrophobicContact CD1-CG1 3.72Å; L46-I114 HydrophobicContact CD2-CD1 4.46Å; I59-I114 HydrophobicContact CD1-CD1 4.17Å; I59-I114 HydrophobicContact CD1-CG1 4.49Å; A109-I114 WeakPolarHBondContact CB-O 3.32Å; A109-I114 PolarHBondContact O-N 3.18Å; A109-I114 VanDerWaalsContact O-N 3.11Å; L112-I114 HydrophobicContact CB-CD1 3.71Å; L112-I114 HydrophobicContact CB-CG1 3.8Å; L112-I114 HydrophobicContact CD1-CD1 4.08Å; I114-A173 HydrophobicContact CD1-CB 3.71Å; I114-A173 HydrophobicContact CG2-CB 4.46Å
115	D	77	Confident	82.2	Confident	74 Å²	74	35.2 Å²	35.2	40%	0.396	20%	0.204	S	C	.	.			trans	-62.7	128.4	171.4	-167	-53.5	0	0	0	110.8	N117 D118	D115-N117 PolarHBondContact O-N 3.38Å; D115-N117 WeakPolarHBondContact OD1-CA 3.3Å; D115-N117 VanDerWaalsContact OD1-CB 3.23Å; D115-N117 WeakPolarHBondContact OD1-CB 3.36Å; D115-N117 PolarHBondContact OD1-N 3.36Å; D115-N117 PolarHBondContact OD1-ND2 3.02Å; D115-D118 PolarHBondContact O-N 3.36Å
116	P	75.5	Confident	81.2	Confident	29 Å²	29	37.7 Å²	37.7	19%	0.188	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-63.7	-18.5	178.7	27.7	-37.2	0	0	0	114.5	I106 A109 A133	I106-P116 HydrophobicContact CB-CB 4Å; I106-P116 HydrophobicContact CG1-CB 4.01Å; I106-P116 HydrophobicContact CG1-CG 4.29Å; A109-P116 HydrophobicContact CB-CB 3.77Å; P116-A133 HydrophobicContact CB-CB 4.29Å
117	N	74.4	Confident	80.3	Confident	80 Å²	80	37.2 Å²	37.2	43%	0.428	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-87.3	-4.8	-179.7	-52.8	-80	0	0	0	113.1	D115 R130	D115-N117 PolarHBondContact O-N 3.38Å; D115-N117 WeakPolarHBondContact OD1-CA 3.3Å; D115-N117 VanDerWaalsContact OD1-CB 3.23Å; D115-N117 WeakPolarHBondContact OD1-CB 3.36Å; D115-N117 PolarHBondContact OD1-N 3.36Å; D115-N117 PolarHBondContact OD1-ND2 3.02Å; N117-R130 VanDerWaalsContact O-CZ 3.27Å; N117-R130 PolarHBondContact O-NE 2.96Å; N117-R130 PolarHBondContact O-NH2 3.15Å
118	D	80	Confident	79.8	Confident	30 Å²	30	34.7 Å²	34.7	16%	0.16	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-95.2	2.4	-179.8	-90.2	-38.8	0	0	0	114.1	Y50 D115 H120 G174	Y50-D118 WeakPolarHBondContact CD1-OD2 3.48Å; D115-D118 PolarHBondContact O-N 3.36Å; D118-H120 PolarHBondContact O-ND1 3.4Å; D118-G174 CarbonylContact O-C 3.31Å; D118-G174 WeakPolarHBondContact O-CA 3.43Å; D118-G174 PolarHBondContact O-N 3.17Å
119	F	88.3	Confident	79.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	133	174.3	-79.4	-84.7	0	0	0	111.8	L84 C105 V108 A109 L131 L137 Y172 A173	L84-F119 HydrophobicContact CD1-CE1 4.01Å; L84-F119 HydrophobicContact CD2-CD1 4.34Å; L84-F119 HydrophobicContact CD2-CE1 3.88Å; C105-F119 HydrophobicContact CB-CD2 4.21Å; C105-F119 HydrophobicContact CB-CG 4.4Å; V108-F119 HydrophobicContact CB-CZ 4.27Å; V108-F119 HydrophobicContact CG1-CE1 4.22Å; V108-F119 HydrophobicContact CG1-CZ 3.9Å; A109-F119 HydrophobicContact CB-CE2 3.71Å; F119-L131 HydrophobicContact CB-CB 4Å; F119-L131 HydrophobicContact CB-CD1 4.26Å; F119-L131 PolarHBondContact O-N 3.25Å; F119-L137 HydrophobicContact CD1-CD2 4.45Å; F119-Y172 WeakPolarHBondContact CA-O 3.37Å; F119-A173 HydrophobicContact CD1-CB 4.36Å; F119-A173 HydrophobicContact CE1-CB 3.89Å; F119-A173 HydrophobicContact CZ-CB 4.17Å
120	H	87.5	Confident	79.4	Confident	5 Å²	5	43.4 Å²	43.4	2%	0.023	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	156.4	175.5	-63.7	73.3	0	0	0	110.5	D118 L128 R129 F171 Y172	D118-H120 PolarHBondContact O-ND1 3.4Å; H120-L128 HydrophobicContact CB-CD1 3.93Å; H120-R129 CarbonylContact C-O 3.59Å; H120-R129 WeakPolarHBondContact CA-O 3.37Å; H120-F171 CarbonylContact O-C 3.54Å; H120-F171 WeakPolarHBondContact O-CA 3.45Å; H120-Y172 PolarHBondContact N-O 2.81Å; H120-Y172 PolarHBondContact O-N 2.66Å
121	V	89.1	Confident	79.5	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.1	171.3	62.2	0	0	0	0	109.6	F123 L128 R129 L131 I169 R170 F171	V121-F123 HydrophobicContact CB-CE2 4.42Å; V121-F123 HydrophobicContact CG1-CE2 3.64Å; V121-F123 HydrophobicContact CG1-CZ 3.98Å; V121-F123 HydrophobicContact CG2-CD2 4.47Å; V121-F123 HydrophobicContact CG2-CE1 4.11Å; V121-F123 HydrophobicContact CG2-CE2 3.9Å; V121-F123 HydrophobicContact CG2-CZ 3.7Å; V121-L128 CarbonylContact O-C 3.41Å; V121-L128 WeakPolarHBondContact O-CA 3.31Å; V121-R129 HydrophobicContact CG1-CB 3.97Å; V121-R129 HydrophobicContact CG1-CG 4.18Å; V121-R129 PolarHBondContact N-O 3.32Å; V121-R129 PolarHBondContact O-N 2.66Å; V121-L131 HydrophobicContact CB-CD1 4.28Å; V121-L131 HydrophobicContact CB-CD2 4.24Å; V121-L131 HydrophobicContact CB-CG 4.34Å; V121-L131 HydrophobicContact CG1-CD2 3.64Å; V121-L131 HydrophobicContact CG1-CG 4.15Å; V121-I169 HydrophobicContact CG2-CD1 3.97Å; V121-I169 HydrophobicContact CG2-CG1 3.78Å; V121-R170 CarbonylContact C-O 3.45Å; V121-R170 VanDerWaalsContact CA-O 3.23Å; V121-R170 WeakPolarHBondContact CA-O 3.3Å; V121-R170 WeakPolarHBondContact CG2-O 3.46Å; V121-F171 HydrophobicContact CB-CD1 3.86Å; V121-F171 HydrophobicContact CB-CE1 3.91Å; V121-F171 HydrophobicContact CG2-CD1 3.81Å; V121-F171 HydrophobicContact CG2-CE1 3.56Å; V121-F171 HydrophobicContact CG2-CZ 4.1Å
122	Q	84.2	Confident	79.9	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.009	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.7	172.5	-167.5	-169.8	21	0	0	109.7	G125 T127 L128 I169 R170 Y172 L179	Q122-G125 PolarHBondContact NE2-O 2.79Å; Q122-G125 VanDerWaalsContact NE2-O 3.08Å; Q122-T127 WeakPolarHBondContact CA-O 3.39Å; Q122-L128 HydrophobicContact CB-CD1 3.94Å; Q122-L128 HydrophobicContact CG-CD1 4.47Å; Q122-I169 WeakPolarHBondContact O-CA 3.4Å; Q122-R170 HydrophobicContact CB-CB 4.38Å; Q122-R170 PolarHBondContact N-O 2.7Å; Q122-R170 PolarHBondContact O-N 2.97Å; Q122-Y172 HydrophobicContact CB-CE2 3.97Å; Q122-L179 HydrophobicContact CG-CD2 4.4Å
123	F	83.2	Confident	80.3	Confident	35 Å²	35	38.1 Å²	38.1	15%	0.154	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	131.8	174.9	-60.3	-82.4	0	0	0	110.8	V121 G125 H126 T127 I140 F144 I169	V121-F123 HydrophobicContact CB-CE2 4.42Å; V121-F123 HydrophobicContact CG1-CE2 3.64Å; V121-F123 HydrophobicContact CG1-CZ 3.98Å; V121-F123 HydrophobicContact CG2-CD2 4.47Å; V121-F123 HydrophobicContact CG2-CE1 4.11Å; V121-F123 HydrophobicContact CG2-CE2 3.9Å; V121-F123 HydrophobicContact CG2-CZ 3.7Å; F123-G125 PolarHBondContact O-N 3.09Å; F123-H126 PolarHBondContact O-N 2.85Å; F123-T127 PolarHBondContact N-O 3.39Å; F123-T127 PolarHBondContact O-N 3.28Å; F123-I140 HydrophobicContact CZ-CG2 4.07Å; F123-F144 AromaticContact CD1-CD2 3.61Å; F123-F144 HydrophobicContact CD1-CD2 3.61Å; F123-F144 AromaticContact CD1-CE2 3.89Å; F123-F144 HydrophobicContact CD1-CE2 3.89Å; F123-F144 HydrophobicContact CD1-CG 4.27Å; F123-F144 HydrophobicContact CE1-CB 4.31Å; F123-F144 AromaticContact CE1-CD2 3.91Å; F123-F144 HydrophobicContact CE1-CD2 3.91Å; F123-F144 HydrophobicContact CE1-CG 4.26Å; F123-I169 HydrophobicContact CD1-CB 4.49Å; F123-I169 HydrophobicContact CD1-CD1 4.1Å; F123-I169 HydrophobicContact CD1-CG1 4.06Å; F123-I169 HydrophobicContact CE1-CD1 3.57Å; F123-I169 HydrophobicContact CE1-CG1 4Å; F123-I169 HydrophobicContact CZ-CD1 4.38Å
124	N	78.6	Confident	81	Confident	4 Å²	4	40.1 Å²	40.1	2%	0.021	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	26.8	168.2	-64.4	-33	0	0	0	116.4	H126 L168 S1015 Y1018	N124-H126 PolarHBondContact O-N 2.99Å; N124-L168 PolarHBondContact N-O 2.99Å; N124-L168 WeakPolarHBondContact OD1-CA 3.4Å; N124-L168 PolarHBondContact OD1-O 3.33Å; N124-L168 VanDerWaalsContact OD1-O 3.12Å; N124-S1015 WeakPolarHBondContact CB-O 3.48Å; N124-S1015 PolarHBondContact ND2-O 3.4Å; N124-Y1018 WeakPolarHBondContact ND2-CB 3.42Å
125	G	72.2	Confident	81.8	Confident	3 Å²	3	40.7 Å²	40.7	3%	0.031	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	0.2	-174.1	0	0	0	0	0	114.8	Q122 F123 G181	Q122-G125 PolarHBondContact NE2-O 2.79Å; Q122-G125 VanDerWaalsContact NE2-O 3.08Å; F123-G125 PolarHBondContact O-N 3.09Å; G125-G181 CarbonylContact O-C 3.57Å; G125-G181 VanDerWaalsContact O-C 3.27Å; G125-G181 WeakPolarHBondContact O-CA 3.32Å
126	H	70	Confident	82.6	Confident	52 Å²	52	40.4 Å²	40.4	24%	0.241	20%	0.202	C	C	.	.	S	Bend	trans	-107.6	-95.2	179.4	-158.4	-103	0	0	0	110.9	F123 N124 L128 Y182 D284 Q286	F123-H126 PolarHBondContact O-N 2.85Å; N124-H126 PolarHBondContact O-N 2.99Å; H126-L128 PolarHBondContact O-N 3.24Å; H126-Y182 HydrophobicContact CB-CD2 4.26Å; H126-Y182 HydrophobicContact CB-CE2 4.07Å; H126-Y182 AromaticContact CD2-CD2 3.84Å; H126-D284 IonicContact CE1-OD1 2.69Å; H126-D284 IonicContact NE2-OD1 3.19Å; H126-Q286 PolarHBondContact O-NE2 3.06Å; H126-Q286 VanDerWaalsContact O-NE2 3.08Å; H126-Q286 PolarHBondContact O-OE1 3.06Å
127	T	71.1	Confident	83.5	Confident	75 Å²	75	39.1 Å²	39.1	46%	0.46	19%	0.193	S	C	.	.			trans	-64.2	111.4	-167.5	-46.6	0	0	0	0	112.5	Q122 F123	Q122-T127 WeakPolarHBondContact CA-O 3.39Å; F123-T127 PolarHBondContact N-O 3.39Å; F123-T127 PolarHBondContact O-N 3.28Å
128	L	78.3	Confident	84.4	Confident	11 Å²	11	35.3 Å²	35.3	6%	0.058	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.5	167.6	-176.4	79.2	0	0	0	109.5	H120 V121 Q122 H126 Y172 P176 L179 Q286	H120-L128 HydrophobicContact CB-CD1 3.93Å; V121-L128 CarbonylContact O-C 3.41Å; V121-L128 WeakPolarHBondContact O-CA 3.31Å; Q122-L128 HydrophobicContact CB-CD1 3.94Å; Q122-L128 HydrophobicContact CG-CD1 4.47Å; H126-L128 PolarHBondContact O-N 3.24Å; L128-Y172 HydrophobicContact CD1-CD2 4.41Å; L128-P176 HydrophobicContact CD1-CG 3.89Å; L128-P176 HydrophobicContact CD2-CG 4.07Å; L128-L179 HydrophobicContact CB-CD2 4.39Å; L128-L179 HydrophobicContact CD1-CD2 4.26Å; L128-L179 HydrophobicContact CD2-CD2 4.32Å; L128-Q286 HydrophobicContact CB-CB 4.31Å; L128-Q286 HydrophobicContact CB-CG 4.39Å
129	R	80.9	Confident	85.1	Confident	106 Å²	106	34.9 Å²	34.9	40%	0.4	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.9	171.8	158.2	177.2	164.5	-165.9	-9.2	109.3	H120 V121 D135	H120-R129 CarbonylContact C-O 3.59Å; H120-R129 WeakPolarHBondContact CA-O 3.37Å; V121-R129 HydrophobicContact CG1-CB 3.97Å; V121-R129 HydrophobicContact CG1-CG 4.18Å; V121-R129 PolarHBondContact N-O 3.32Å; V121-R129 PolarHBondContact O-N 2.66Å; R129-D135 IonicContact CZ-OD2 2.84Å; R129-D135 IonicContact NH2-OD1 3.3Å; R129-D135 PolarHBondContact NH2-OD1 3.09Å; R129-D135 IonicContact NH2-OD2 3.8Å; R129-D135 PolarHBondContact NH2-OD2 3.48Å
130	R	84.7	Confident	85.4	Confident	84 Å²	84	36.2 Å²	36.2	32%	0.317	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	141.1	164.6	-170.7	172.3	-175.8	168.5	8.5	111.1	N117 E288	N117-R130 VanDerWaalsContact O-CZ 3.27Å; N117-R130 PolarHBondContact O-NE 2.96Å; N117-R130 PolarHBondContact O-NH2 3.15Å; R130-E288 WeakPolarHBondContact CB-OE1 3.34Å; R130-E288 VanDerWaalsContact CD-OE1 3.28Å; R130-E288 WeakPolarHBondContact CD-OE1 3.41Å; R130-E288 WeakPolarHBondContact CD-OE2 2.61Å; R130-E288 IonicContact CZ-OE2 3.53Å; R130-E288 IonicContact NE-OE2 2.71Å; R130-E288 IonicContact NH1-OE2 2.68Å; R130-E288 PolarHBondContact NH1-OE2 3.48Å
131	L	87.1	Confident	85.8	Confident	2 Å²	2	36 Å²	36	1%	0.01	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-96.5	149.8	178.1	-63.3	179.5	0	0	0	110.9	F119 V121 D135 L137 I140 F171	F119-L131 HydrophobicContact CB-CB 4Å; F119-L131 HydrophobicContact CB-CD1 4.26Å; F119-L131 PolarHBondContact O-N 3.25Å; V121-L131 HydrophobicContact CB-CD1 4.28Å; V121-L131 HydrophobicContact CB-CD2 4.24Å; V121-L131 HydrophobicContact CB-CG 4.34Å; V121-L131 HydrophobicContact CG1-CD2 3.64Å; V121-L131 HydrophobicContact CG1-CG 4.15Å; L131-D135 WeakPolarHBondContact CA-OD2 3.27Å; L131-D135 HydrophobicContact CB-CB 4.1Å; L131-D135 HydrophobicContact CD2-CB 4.19Å; L131-D135 WeakPolarHBondContact CD2-OD2 3.46Å; L131-L137 HydrophobicContact CD1-CD2 3.46Å; L131-L137 VanDerWaalsContact CD1-CD2 3.46Å; L131-I140 HydrophobicContact CD2-CD1 3.62Å; L131-F171 HydrophobicContact CD1-CD1 3.94Å; L131-F171 HydrophobicContact CD1-CE1 4.23Å
132	L	86.8	Confident	86.1	Confident	99 Å²	99	36.1 Å²	36.1	52%	0.518	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-86.2	161.8	174.5	-56.4	179.9	0	0	0	110.6	C105 D134 D135	C105-L132 WeakPolarHBondContact CB-O 3.26Å; L132-D134 WeakPolarHBondContact CB-OD1 3.29Å; L132-D134 PolarHBondContact O-N 2.96Å; L132-D134 VanDerWaalsContact O-N 3.17Å; L132-D135 PolarHBondContact N-OD2 3.39Å; L132-D135 WeakPolarHBondContact O-CB 3.35Å; L132-D135 PolarHBondContact O-N 3.16Å; L132-D135 VanDerWaalsContact O-N 3.1Å
133	A	86	Confident	86.5	Confident	30 Å²	30	40 Å²	40	25%	0.248	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-27	-179.2	0	0	0	0	0	113.3	I106 P116	I106-A133 HydrophobicContact CB-CB 4.29Å; I106-A133 WeakPolarHBondContact CB-O 3.49Å; I106-A133 WeakPolarHBondContact CG2-O 3.13Å; I106-A133 PolarHBondContact N-O 3.21Å; P116-A133 HydrophobicContact CB-CB 4.29Å
134	D	90.3	Very high	87	Confident	109 Å²	109	38.5 Å²	38.5	58%	0.583	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-7.4	178.3	64.3	-50.1	0	0	0	114.4	L132	L132-D134 WeakPolarHBondContact CB-OD1 3.29Å; L132-D134 PolarHBondContact O-N 2.96Å; L132-D134 VanDerWaalsContact O-N 3.17Å
135	D	91.6	Very high	87.7	Confident	25 Å²	25	38.3 Å²	38.3	13%	0.134	19%	0.19	C	C	.	.			trans	-57.8	142.2	173.9	-95	-50.8	0	0	0	110.6	T104 C105 R129 L131 L132 I140	T104-D135 CarbonylContact C-O 3.43Å; T104-D135 WeakPolarHBondContact CA-O 3.32Å; C105-D135 PolarHBondContact N-O 2.86Å; C105-D135 PolarHBondContact SG-O 2.69Å; C105-D135 VanDerWaalsContact SG-O 3.39Å; R129-D135 IonicContact CZ-OD2 2.84Å; R129-D135 IonicContact NH2-OD1 3.3Å; R129-D135 PolarHBondContact NH2-OD1 3.09Å; R129-D135 IonicContact NH2-OD2 3.8Å; R129-D135 PolarHBondContact NH2-OD2 3.48Å; L131-D135 WeakPolarHBondContact CA-OD2 3.27Å; L131-D135 HydrophobicContact CB-CB 4.1Å; L131-D135 HydrophobicContact CD2-CB 4.19Å; L131-D135 WeakPolarHBondContact CD2-OD2 3.46Å; L132-D135 PolarHBondContact N-OD2 3.39Å; L132-D135 WeakPolarHBondContact O-CB 3.35Å; L132-D135 PolarHBondContact O-N 3.16Å; L132-D135 VanDerWaalsContact O-N 3.1Å; D135-I140 HydrophobicContact CB-CD1 3.99Å
136	R	94.6	Very high	88.7	Confident	68 Å²	68	40.4 Å²	40.4	26%	0.257	20%	0.202	S	C	.	.			trans	-108.5	93.8	-174	-72.5	146	160.5	-99.4	1.1	110	L101 D102 T104 L138 A139 I140	L101-R136 WeakPolarHBondContact O-CG 3.44Å; L101-R136 PolarHBondContact O-NH1 3.49Å; D102-R136 IonicContact OD1-CZ 3.6Å; D102-R136 IonicContact OD1-NH1 3.76Å; D102-R136 PolarHBondContact OD1-NH1 2.79Å; D102-R136 IonicContact OD1-NH2 3.93Å; D102-R136 PolarHBondContact OD1-NH2 2.84Å; T104-R136 HydrophobicContact CG2-CG 4.13Å; R136-L138 VanDerWaalsContact C-N 3.33Å; R136-L138 PolarHBondContact O-N 3.07Å; R136-A139 HydrophobicContact CB-CB 3.75Å; R136-A139 WeakPolarHBondContact O-CA 3.3Å; R136-A139 WeakPolarHBondContact O-CB 3.48Å; R136-A139 PolarHBondContact O-N 3.44Å; R136-I140 WeakPolarHBondContact O-CG1 3.4Å; R136-I140 PolarHBondContact O-N 3Å
137	L	94.1	Very high	89.7	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-46.4	-50.4	-173.4	-67.3	161.7	0	0	0	113.5	V82 V108 F119 L131 I140 Q141 F171	V82-L137 HydrophobicContact CG1-CB 4.14Å; V82-L137 HydrophobicContact CG2-CB 4Å; V108-L137 HydrophobicContact CB-CD1 4.26Å; V108-L137 HydrophobicContact CG1-CD1 4.4Å; V108-L137 HydrophobicContact CG2-CD1 3.88Å; F119-L137 HydrophobicContact CD1-CD2 4.45Å; L131-L137 HydrophobicContact CD1-CD2 3.46Å; L131-L137 VanDerWaalsContact CD1-CD2 3.46Å; L137-I140 PolarHBondContact O-N 2.91Å; L137-Q141 WeakPolarHBondContact O-CB 3.43Å; L137-Q141 PolarHBondContact O-N 2.88Å; L137-F171 HydrophobicContact CD2-CB 4.29Å; L137-F171 HydrophobicContact CD2-CD1 3.34Å; L137-F171 HydrophobicContact CD2-CE1 3.82Å; L137-F171 HydrophobicContact CD2-CG 3.94Å; L137-F171 WeakPolarHBondContact O-CZ 3.43Å
138	L	94.5	Very high	90.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69.5	-33.3	-179.7	-175.3	61.8	0	0	0	112.6	D78 V82 C99 L101 R136 Q141 N142	D78-L138 WeakPolarHBondContact O-CD2 3.38Å; V82-L138 HydrophobicContact CG2-CB 3.87Å; V82-L138 HydrophobicContact CG2-CD1 4.09Å; C99-L138 HydrophobicContact CB-CB 4.02Å; C99-L138 HydrophobicContact CB-CD2 4.24Å; C99-L138 WeakPolarHBondContact O-CD2 3.2Å; L101-L138 HydrophobicContact CD2-CD2 4.45Å; L101-L138 HydrophobicContact CD2-CG 4.21Å; R136-L138 VanDerWaalsContact C-N 3.33Å; R136-L138 PolarHBondContact O-N 3.07Å; L138-Q141 PolarHBondContact O-N 2.89Å; L138-N142 WeakPolarHBondContact CD1-OD1 3.46Å; L138-N142 VanDerWaalsContact O-CB 3.31Å; L138-N142 WeakPolarHBondContact O-CB 3.29Å; L138-N142 PolarHBondContact O-N 3.27Å; L138-N142 PolarHBondContact O-OD1 3.33Å
139	A	95	Very high	91.1	Very high	22 Å²	22	35.8 Å²	35.8	18%	0.182	18%	0.18	C	C	.	.	H	α-helix	trans	-69.4	-38.6	175.8	0	0	0	0	0	111.5	L101 R136 N142 K143	L101-A139 HydrophobicContact CD2-CB 4.17Å; R136-A139 HydrophobicContact CB-CB 3.75Å; R136-A139 WeakPolarHBondContact O-CA 3.3Å; R136-A139 WeakPolarHBondContact O-CB 3.48Å; R136-A139 PolarHBondContact O-N 3.44Å; A139-N142 PolarHBondContact O-N 3.28Å; A139-K143 WeakPolarHBondContact O-CB 3.38Å; A139-K143 PolarHBondContact O-N 3.08Å
140	I	94.6	Very high	91.6	Very high	27 Å²	27	30.9 Å²	30.9	14%	0.138	16%	0.161	C	C	.	.	H	α-helix	trans	-63	-48	173.3	-64.4	170.3	0	0	0	110.2	F123 L131 D135 R136 L137 N142 K143 F144 F171	F123-I140 HydrophobicContact CZ-CG2 4.07Å; L131-I140 HydrophobicContact CD2-CD1 3.62Å; D135-I140 HydrophobicContact CB-CD1 3.99Å; R136-I140 WeakPolarHBondContact O-CG1 3.4Å; R136-I140 PolarHBondContact O-N 3Å; L137-I140 PolarHBondContact O-N 2.91Å; I140-N142 PolarHBondContact O-N 3.24Å; I140-K143 PolarHBondContact O-N 3.27Å; I140-F144 PolarHBondContact O-N 3.36Å; I140-F171 HydrophobicContact CB-CE1 4.34Å; I140-F171 HydrophobicContact CB-CZ 4.3Å; I140-F171 HydrophobicContact CG2-CE1 4.1Å; I140-F171 HydrophobicContact CG2-CZ 4.12Å
141	Q	95.1	Very high	91.7	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.009	17%	0.169	C	C	.	.	H	α-helix	trans	-57.5	-49.4	176.1	-170.3	-176.7	-95.1	0	0	111.3	F81 L137 L138 K143 F144 L145 L165 F171	F81-Q141 PolarHBondContact O-NE2 3.16Å; L137-Q141 WeakPolarHBondContact O-CB 3.43Å; L137-Q141 PolarHBondContact O-N 2.88Å; L138-Q141 PolarHBondContact O-N 2.89Å; Q141-K143 PolarHBondContact O-N 3.04Å; Q141-F144 WeakPolarHBondContact O-CB 3.44Å; Q141-F144 PolarHBondContact O-N 2.88Å; Q141-L145 HydrophobicContact CG-CD1 4.1Å; Q141-L145 VanDerWaalsContact O-CG 3.29Å; Q141-L145 WeakPolarHBondContact O-CG 3.49Å; Q141-L145 PolarHBondContact O-N 3.17Å; Q141-L165 HydrophobicContact CG-CD2 4.23Å; Q141-F171 HydrophobicContact CB-CE2 3.89Å; Q141-F171 HydrophobicContact CB-CZ 3.98Å; Q141-F171 HydrophobicContact CG-CE2 4.23Å
142	N	94.9	Very high	91.8	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.011	18%	0.18	C	C	.	.	H	α-helix	trans	-72.9	-28.5	-176.5	-66.4	6.8	0	0	0	112.2	L138 A139 I140 T146 Q156 Y1301	L138-N142 WeakPolarHBondContact CD1-OD1 3.46Å; L138-N142 VanDerWaalsContact O-CB 3.31Å; L138-N142 WeakPolarHBondContact O-CB 3.29Å; L138-N142 PolarHBondContact O-N 3.27Å; L138-N142 PolarHBondContact O-OD1 3.33Å; A139-N142 PolarHBondContact O-N 3.28Å; I140-N142 PolarHBondContact O-N 3.24Å; N142-T146 WeakPolarHBondContact O-CB 3.43Å; N142-T146 PolarHBondContact O-N 3.49Å; N142-T146 PolarHBondContact O-OG1 3.39Å; N142-Q156 PolarHBondContact O-NE2 3.25Å; N142-Y1301 WeakPolarHBondContact CB-OH 3.43Å; N142-Y1301 PolarHBondContact ND2-OH 2.9Å
143	K	94	Very high	91.9	Very high	83 Å²	83	29.2 Å²	29.2	36%	0.361	16%	0.163	S	C	.	.	H	α-helix	trans	-64.8	-42.7	169.3	-172.8	171.7	-174.4	169.8	0	111.5	A139 I140 Q141 T146 S147 L1305 S1308	A139-K143 WeakPolarHBondContact O-CB 3.38Å; A139-K143 PolarHBondContact O-N 3.08Å; I140-K143 PolarHBondContact O-N 3.27Å; Q141-K143 PolarHBondContact O-N 3.04Å; K143-T146 WeakPolarHBondContact O-CB 3.28Å; K143-T146 PolarHBondContact O-N 3.09Å; K143-S147 PolarHBondContact O-N 2.86Å; K143-S147 PolarHBondContact O-OG 2.94Å; K143-L1305 HydrophobicContact CB-CD2 4.24Å; K143-S1308 PolarHBondContact NZ-O 2.86Å; K143-S1308 PolarHBondContact NZ-OG 3.39Å
144	F	92.6	Very high	92	Very high	3 Å²	3	34 Å²	34	1%	0.013	18%	0.175	C	C	.	.	H	α-helix	trans	-65.5	-45	173.5	177.1	-95.4	0	0	0	112.6	F123 I140 Q141 T146 S147 I148 L168 I169 Y1018	F123-F144 AromaticContact CD1-CD2 3.61Å; F123-F144 HydrophobicContact CD1-CD2 3.61Å; F123-F144 AromaticContact CD1-CE2 3.89Å; F123-F144 HydrophobicContact CD1-CE2 3.89Å; F123-F144 HydrophobicContact CD1-CG 4.27Å; F123-F144 HydrophobicContact CE1-CB 4.31Å; F123-F144 AromaticContact CE1-CD2 3.91Å; F123-F144 HydrophobicContact CE1-CD2 3.91Å; F123-F144 HydrophobicContact CE1-CG 4.26Å; I140-F144 PolarHBondContact O-N 3.36Å; Q141-F144 WeakPolarHBondContact O-CB 3.44Å; Q141-F144 PolarHBondContact O-N 2.88Å; F144-T146 VanDerWaalsContact C-N 3.25Å; F144-T146 PolarHBondContact O-N 3.25Å; F144-S147 WeakPolarHBondContact CA-OG 3.36Å; F144-S147 PolarHBondContact O-N 2.78Å; F144-S147 PolarHBondContact O-OG 3.06Å; F144-I148 HydrophobicContact CE1-CD1 4.06Å; F144-I148 HydrophobicContact CE1-CG2 4.37Å; F144-I148 HydrophobicContact CE2-CG2 4.31Å; F144-I148 HydrophobicContact CZ-CG2 4.07Å; F144-I148 PolarHBondContact O-N 2.64Å; F144-I148 VanDerWaalsContact O-N 3.09Å; F144-L168 HydrophobicContact CE1-CB 3.76Å; F144-L168 HydrophobicContact CZ-CB 3.9Å; F144-L168 WeakPolarHBondContact CZ-O 3.45Å; F144-I169 HydrophobicContact CB-CD1 4.13Å; F144-I169 HydrophobicContact CD1-CB 3.99Å; F144-I169 HydrophobicContact CD1-CD1 4.35Å; F144-I169 HydrophobicContact CD1-CG2 3.85Å; F144-I169 HydrophobicContact CE1-CB 4.05Å; F144-I169 HydrophobicContact CE1-CG2 4.04Å; F144-I169 HydrophobicContact CG-CD1 4.23Å; F144-Y1018 AromaticContact CD2-CE1 3.99Å; F144-Y1018 HydrophobicContact CD2-CE1 3.99Å; F144-Y1018 HydrophobicContact CD2-CE2 4.1Å; F144-Y1018 AromaticContact CD2-CZ 3.65Å; F144-Y1018 HydrophobicContact CE2-CD1 4.24Å; F144-Y1018 HydrophobicContact CE2-CD2 4.21Å; F144-Y1018 AromaticContact CE2-CE1 3.93Å; F144-Y1018 HydrophobicContact CE2-CE1 3.93Å; F144-Y1018 AromaticContact CE2-CE2 3.9Å; F144-Y1018 HydrophobicContact CE2-CE2 3.9Å; F144-Y1018 HydrophobicContact CE2-CG 4.4Å; F144-Y1018 AromaticContact CE2-CZ 3.77Å
145	L	93.4	Very high	91.8	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-59.4	-38.9	174.4	-68	169.7	0	0	0	111.2	Q141 I148 G149 I150 Q156 E159 L165	Q141-L145 HydrophobicContact CG-CD1 4.1Å; Q141-L145 VanDerWaalsContact O-CG 3.29Å; Q141-L145 WeakPolarHBondContact O-CG 3.49Å; Q141-L145 PolarHBondContact O-N 3.17Å; L145-I148 WeakPolarHBondContact O-CG1 3.37Å; L145-G149 PolarHBondContact O-N 3.08Å; L145-I150 CarbonylContact C-O 3.32Å; L145-I150 HydrophobicContact CB-CB 4.29Å; L145-I150 HydrophobicContact CD2-CD1 3.86Å; L145-I150 WeakPolarHBondContact O-CA 3.36Å; L145-I150 WeakPolarHBondContact O-CB 3.33Å; L145-I150 PolarHBondContact O-N 3.4Å; L145-Q156 HydrophobicContact CB-CG 4.09Å; L145-Q156 HydrophobicContact CD1-CB 4.12Å; L145-Q156 HydrophobicContact CD1-CG 4.23Å; L145-E159 HydrophobicContact CD1-CB 3.93Å; L145-E159 HydrophobicContact CD2-CB 4.09Å; L145-E159 HydrophobicContact CD2-CG 4.28Å; L145-L165 HydrophobicContact CD2-CD1 3.97Å
146	T	93.1	Very high	91.8	Very high	46 Å²	46	28.7 Å²	28.7	28%	0.282	15%	0.145	S	C	.	.	H	α-helix	trans	-63.3	-45.7	174.5	-56	0	0	0	0	111.9	N142 K143 F144 I148 G149 T151 Q156	N142-T146 WeakPolarHBondContact O-CB 3.43Å; N142-T146 PolarHBondContact O-N 3.49Å; N142-T146 PolarHBondContact O-OG1 3.39Å; K143-T146 WeakPolarHBondContact O-CB 3.28Å; K143-T146 PolarHBondContact O-N 3.09Å; F144-T146 VanDerWaalsContact C-N 3.25Å; F144-T146 PolarHBondContact O-N 3.25Å; T146-I148 VanDerWaalsContact C-N 3.33Å; T146-I148 PolarHBondContact O-N 3.31Å; T146-G149 WeakPolarHBondContact O-CA 3.41Å; T146-G149 PolarHBondContact O-N 3.18Å; T146-T151 HydrophobicContact CG2-CG2 4.36Å; T146-Q156 PolarHBondContact OG1-NE2 2.97Å
147	S	90.2	Very high	91.5	Very high	37 Å²	37	25.7 Å²	25.7	26%	0.259	13%	0.133	S	C	.	.	H	α-helix	trans	-71.8	-21	-177.9	59.4	0	0	0	0	114.1	K143 F144 G149 Y1018 I1024	K143-S147 PolarHBondContact O-N 2.86Å; K143-S147 PolarHBondContact O-OG 2.94Å; F144-S147 WeakPolarHBondContact CA-OG 3.36Å; F144-S147 PolarHBondContact O-N 2.78Å; F144-S147 PolarHBondContact O-OG 3.06Å; S147-G149 VanDerWaalsContact C-N 3.32Å; S147-Y1018 PolarHBondContact OG-OH 2.68Å; S147-I1024 WeakPolarHBondContact O-CD1 3.36Å
148	I	90.3	Very high	91.2	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	5.4	166.8	70.3	172.2	0	0	0	113.5	F144 L145 T146 I150 L168 Y1018 P1023	F144-I148 HydrophobicContact CE1-CD1 4.06Å; F144-I148 HydrophobicContact CE1-CG2 4.37Å; F144-I148 HydrophobicContact CE2-CG2 4.31Å; F144-I148 HydrophobicContact CZ-CG2 4.07Å; F144-I148 PolarHBondContact O-N 2.64Å; F144-I148 VanDerWaalsContact O-N 3.09Å; L145-I148 WeakPolarHBondContact O-CG1 3.37Å; T146-I148 VanDerWaalsContact C-N 3.33Å; T146-I148 PolarHBondContact O-N 3.31Å; I148-I150 HydrophobicContact CD1-CD1 4.1Å; I148-I150 HydrophobicContact CG1-CD1 4.35Å; I148-I150 HydrophobicContact CG1-CG1 4.33Å; I148-L168 HydrophobicContact CD1-CD1 3.99Å; I148-Y1018 HydrophobicContact CG2-CD2 4.26Å; I148-Y1018 HydrophobicContact CG2-CE2 4.05Å; I148-P1023 HydrophobicContact CB-CG 3.77Å; I148-P1023 HydrophobicContact CG2-CG 4.22Å
149	G	89	Confident	90.9	Very high	3 Å²	3	30.8 Å²	30.8	3%	0.031	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.9	0	170.6	0	0	0	0	0	116.3	L145 T146 S147 T151	L145-G149 PolarHBondContact O-N 3.08Å; T146-G149 WeakPolarHBondContact O-CA 3.41Å; T146-G149 PolarHBondContact O-N 3.18Å; S147-G149 VanDerWaalsContact C-N 3.32Å; G149-T151 VanDerWaalsContact C-N 3.34Å; G149-T151 PolarHBondContact O-N 3.2Å
150	I	90.9	Very high	90.4	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.015	15%	0.147	C	C	.	.			trans	-79.9	83.1	173.6	-53.6	175.8	0	0	0	107.7	L145 I148 R155 Q156 E159 Y913 I916 M917	L145-I150 CarbonylContact C-O 3.32Å; L145-I150 HydrophobicContact CB-CB 4.29Å; L145-I150 HydrophobicContact CD2-CD1 3.86Å; L145-I150 WeakPolarHBondContact O-CA 3.36Å; L145-I150 WeakPolarHBondContact O-CB 3.33Å; L145-I150 PolarHBondContact O-N 3.4Å; I148-I150 HydrophobicContact CD1-CD1 4.1Å; I148-I150 HydrophobicContact CG1-CD1 4.35Å; I148-I150 HydrophobicContact CG1-CG1 4.33Å; I150-R155 HydrophobicContact CG2-CB 4.32Å; I150-R155 HydrophobicContact CG2-CG 3.97Å; I150-Q156 HydrophobicContact CG2-CG 4.18Å; I150-Q156 WeakPolarHBondContact O-CG 3.35Å; I150-Q156 PolarHBondContact O-NE2 2.83Å; I150-E159 HydrophobicContact CD1-CG 4.4Å; I150-Y913 HydrophobicContact CG2-CE1 4.21Å; I150-I916 HydrophobicContact CD1-CG2 3.87Å; I150-I916 HydrophobicContact CG1-CG2 3.55Å; I150-M917 HydrophobicContact CD1-CE 3.64Å; I150-M917 HydrophobicContact CG1-CE 4.46Å
151	T	88.5	Confident	89.9	Confident	77 Å²	77	30.5 Å²	30.5	47%	0.472	15%	0.151	S	C	.	.			trans	-93.8	-11.6	-173.7	58	0	0	0	0	114.6	T146 G149 V153	T146-T151 HydrophobicContact CG2-CG2 4.36Å; G149-T151 VanDerWaalsContact C-N 3.34Å; G149-T151 PolarHBondContact O-N 3.2Å; T151-V153 PolarHBondContact O-N 2.85Å
152	N	89.3	Confident	89.4	Confident	47 Å²	47	33.7 Å²	33.7	25%	0.251	17%	0.165	S	C	.	.			trans	-73.8	115.8	177.4	-173.2	-51.5	0	0	0	110.8	R154 R155 Q156 T905 Y913	N152-R154 PolarHBondContact O-N 2.18Å; N152-R154 PolarHBondContact OD1-N 3.12Å; N152-R155 HydrophobicContact CB-CB 4.05Å; N152-R155 WeakPolarHBondContact O-CB 3.43Å; N152-R155 PolarHBondContact O-N 3.34Å; N152-R155 PolarHBondContact OD1-N 3.22Å; N152-Q156 WeakPolarHBondContact O-CG 3.26Å; N152-Q156 PolarHBondContact O-N 2.83Å; N152-T905 PolarHBondContact ND2-O 3.3Å; N152-Y913 PolarHBondContact N-OH 3.28Å
153	V	88.4	Confident	88.8	Confident	25 Å²	25	36.8 Å²	36.8	15%	0.152	18%	0.181	C	C	.	.	H	α-helix	trans	-53.8	-50.1	-178	-176.9	0	0	0	0	112	V77 T151 R155 Q156 Q157 Y1301	V77-V153 HydrophobicContact CB-CG1 4.21Å; V77-V153 WeakPolarHBondContact O-CG1 3.5Å; T151-V153 PolarHBondContact O-N 2.85Å; V153-R155 PolarHBondContact O-N 3.45Å; V153-Q156 WeakPolarHBondContact O-CA 3.34Å; V153-Q156 WeakPolarHBondContact O-CB 3.37Å; V153-Q156 PolarHBondContact O-N 3.34Å; V153-Q157 WeakPolarHBondContact O-CG 3.44Å; V153-Q157 PolarHBondContact O-N 2.9Å; V153-Y1301 HydrophobicContact CB-CE1 4.47Å; V153-Y1301 HydrophobicContact CG1-CD2 3.96Å; V153-Y1301 HydrophobicContact CG1-CE1 4.2Å; V153-Y1301 HydrophobicContact CG1-CE2 3.59Å; V153-Y1301 HydrophobicContact CG1-CG 4.44Å; V153-Y1301 HydrophobicContact CG2-CD1 3.76Å; V153-Y1301 HydrophobicContact CG2-CE1 3.66Å; V153-Y1301 HydrophobicContact CG2-CE2 4.48Å; V153-Y1301 HydrophobicContact CG2-CG 4.23Å
154	R	86.9	Confident	88.2	Confident	132 Å²	132	35 Å²	35	50%	0.498	18%	0.176	S	C	.	.	H	α-helix	trans	-57.6	-39.6	179.3	-76.5	-171.3	-179	178.6	3.1	111.8	N152 Q157 F158 T905	N152-R154 PolarHBondContact O-N 2.18Å; N152-R154 PolarHBondContact OD1-N 3.12Å; R154-Q157 WeakPolarHBondContact O-CB 3.34Å; R154-Q157 PolarHBondContact O-N 2.84Å; R154-F158 WeakPolarHBondContact O-CD2 3.27Å; R154-F158 PolarHBondContact O-N 2.91Å; R154-T905 HydrophobicContact CB-CG2 4.06Å
155	R	86.8	Confident	87.9	Confident	21 Å²	21	35.1 Å²	35.1	8%	0.079	18%	0.176	C	C	.	.	H	α-helix	trans	-64.7	-43.9	176.8	-170.7	61.9	-178	-120.4	-14.4	111.2	I150 N152 V153 Q157 F158 E159 E900 M917	I150-R155 HydrophobicContact CG2-CB 4.32Å; I150-R155 HydrophobicContact CG2-CG 3.97Å; N152-R155 HydrophobicContact CB-CB 4.05Å; N152-R155 WeakPolarHBondContact O-CB 3.43Å; N152-R155 PolarHBondContact O-N 3.34Å; N152-R155 PolarHBondContact OD1-N 3.22Å; V153-R155 PolarHBondContact O-N 3.45Å; R155-Q157 VanDerWaalsContact C-N 3.28Å; R155-Q157 PolarHBondContact O-N 2.95Å; R155-F158 PolarHBondContact O-N 2.62Å; R155-E159 HydrophobicContact CG-CG 4.36Å; R155-E159 IonicContact CZ-OE1 3.1Å; R155-E159 IonicContact NE-OE1 3.2Å; R155-E159 PolarHBondContact NE-OE1 3.3Å; R155-E159 IonicContact NH2-OE1 2.86Å; R155-E159 PolarHBondContact NH2-OE1 2.81Å; R155-E159 VanDerWaalsContact NH2-OE1 3.15Å; R155-E159 WeakPolarHBondContact O-CG 3.38Å; R155-E159 PolarHBondContact O-N 3.47Å; R155-E900 IonicContact CZ-OE1 3.8Å; R155-E900 IonicContact CZ-OE2 2.66Å; R155-E900 IonicContact NH1-OE1 3.6Å; R155-E900 PolarHBondContact NH1-OE1 3.41Å; R155-E900 IonicContact NH1-OE2 3.77Å; R155-E900 PolarHBondContact NH1-OE2 3.44Å; R155-E900 IonicContact NH2-OE1 2.86Å; R155-E900 PolarHBondContact NH2-OE1 2.85Å; R155-M917 PolarHBondContact NH2-SD 3.44Å
156	Q	91	Very high	87.4	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-57.4	-38.7	175.1	-63.5	174.4	-24.9	0	0	112.5	N142 L145 T146 I150 N152 V153 F158 E159 Y1301	N142-Q156 PolarHBondContact O-NE2 3.25Å; L145-Q156 HydrophobicContact CB-CG 4.09Å; L145-Q156 HydrophobicContact CD1-CB 4.12Å; L145-Q156 HydrophobicContact CD1-CG 4.23Å; T146-Q156 PolarHBondContact OG1-NE2 2.97Å; I150-Q156 HydrophobicContact CG2-CG 4.18Å; I150-Q156 WeakPolarHBondContact O-CG 3.35Å; I150-Q156 PolarHBondContact O-NE2 2.83Å; N152-Q156 WeakPolarHBondContact O-CG 3.26Å; N152-Q156 PolarHBondContact O-N 2.83Å; V153-Q156 WeakPolarHBondContact O-CA 3.34Å; V153-Q156 WeakPolarHBondContact O-CB 3.37Å; V153-Q156 PolarHBondContact O-N 3.34Å; Q156-F158 PolarHBondContact O-N 2.51Å; Q156-E159 PolarHBondContact O-N 2.89Å; Q156-Y1301 PolarHBondContact OE1-OH 2.9Å
157	Q	89.8	Confident	86.9	Confident	5 Å²	5	35 Å²	35	2%	0.023	17%	0.171	C	C	.	.	H	α-helix	trans	-59.3	-33.4	176.1	-58.3	-178.8	-85.3	0	0	112.8	I73 A76 H79 V153 R154 R155	I73-Q157 HydrophobicContact CD1-CB 4.08Å; I73-Q157 WeakPolarHBondContact CD1-O 3.38Å; I73-Q157 HydrophobicContact CG1-CB 4.13Å; I73-Q157 HydrophobicContact CG2-CB 3.91Å; I73-Q157 HydrophobicContact CG2-CG 4.48Å; I73-Q157 PolarHBondContact O-NE2 2.93Å; A76-Q157 PolarHBondContact O-NE2 3.49Å; H79-Q157 VanDerWaalsContact O-CG 3.26Å; H79-Q157 WeakPolarHBondContact O-CG 3.29Å; H79-Q157 PolarHBondContact O-NE2 3.38Å; V153-Q157 WeakPolarHBondContact O-CG 3.44Å; V153-Q157 PolarHBondContact O-N 2.9Å; R154-Q157 WeakPolarHBondContact O-CB 3.34Å; R154-Q157 PolarHBondContact O-N 2.84Å; R155-Q157 VanDerWaalsContact C-N 3.28Å; R155-Q157 PolarHBondContact O-N 2.95Å
158	F	86.1	Confident	86.7	Confident	106 Å²	106	33.4 Å²	33.4	47%	0.465	16%	0.16	S	C	.	.	H	α-helix	trans	-89	-32	179.7	-71.8	-70.7	0	0	0	114.4	I73 R154 R155 Q156 G160 D161	I73-F158 HydrophobicContact CD1-CD1 3.41Å; I73-F158 VanDerWaalsContact CD1-CD1 3.41Å; I73-F158 HydrophobicContact CD1-CD2 4.49Å; I73-F158 HydrophobicContact CD1-CE1 3.48Å; I73-F158 VanDerWaalsContact CD1-CE1 3.48Å; I73-F158 HydrophobicContact CD1-CG 3.94Å; I73-F158 HydrophobicContact CD1-CZ 4.07Å; I73-F158 HydrophobicContact CG2-CE1 4.42Å; I73-F158 HydrophobicContact CG2-CE2 4.17Å; I73-F158 HydrophobicContact CG2-CZ 3.96Å; R154-F158 WeakPolarHBondContact O-CD2 3.27Å; R154-F158 PolarHBondContact O-N 2.91Å; R155-F158 PolarHBondContact O-N 2.62Å; Q156-F158 PolarHBondContact O-N 2.51Å; F158-G160 VanDerWaalsContact C-N 3.26Å; F158-G160 PolarHBondContact O-N 3.04Å; F158-D161 PolarHBondContact O-N 3.05Å; F158-D161 VanDerWaalsContact O-N 3.13Å
159	E	88.2	Confident	86.6	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-57.5	-37.9	-176.6	-72.9	-59.6	157.6	0	0	112.6	L145 I150 R155 Q156 D161 K162	L145-E159 HydrophobicContact CD1-CB 3.93Å; L145-E159 HydrophobicContact CD2-CB 4.09Å; L145-E159 HydrophobicContact CD2-CG 4.28Å; I150-E159 HydrophobicContact CD1-CG 4.4Å; R155-E159 HydrophobicContact CG-CG 4.36Å; R155-E159 IonicContact CZ-OE1 3.1Å; R155-E159 IonicContact NE-OE1 3.2Å; R155-E159 PolarHBondContact NE-OE1 3.3Å; R155-E159 IonicContact NH2-OE1 2.86Å; R155-E159 PolarHBondContact NH2-OE1 2.81Å; R155-E159 VanDerWaalsContact NH2-OE1 3.15Å; R155-E159 WeakPolarHBondContact O-CG 3.38Å; R155-E159 PolarHBondContact O-N 3.47Å; Q156-E159 PolarHBondContact O-N 2.89Å; E159-D161 PolarHBondContact O-N 3.3Å; E159-D161 VanDerWaalsContact O-N 3.07Å; E159-K162 WeakPolarHBondContact O-CB 3.06Å; E159-K162 PolarHBondContact O-N 3.04Å; E159-K162 IonicContact OE1-NZ 2.67Å; E159-K162 PolarHBondContact OE1-NZ 2.94Å; E159-K162 VanDerWaalsContact OE2-CD 3.22Å; E159-K162 WeakPolarHBondContact OE2-CD 3.46Å; E159-K162 WeakPolarHBondContact OE2-CE 3.2Å; E159-K162 IonicContact OE2-NZ 2.7Å; E159-K162 PolarHBondContact OE2-NZ 3.48Å
160	G	84.5	Confident	86.6	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-11.5	179	0	0	0	0	0	116.1	F81 F158	F81-G160 WeakPolarHBondContact O-CA 3.4Å; F158-G160 VanDerWaalsContact C-N 3.26Å; F158-G160 PolarHBondContact O-N 3.04Å
161	D	85.1	Confident	86.6	Confident	43 Å²	43	33.9 Å²	33.9	23%	0.23	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-20	171.7	-165	36.1	0	0	0	112.8	K69 F81 R83 F158 E159 I163	K69-D161 WeakPolarHBondContact CD-OD2 3.28Å; K69-D161 IonicContact NZ-OD1 2.68Å; K69-D161 PolarHBondContact NZ-OD1 2.86Å; K69-D161 IonicContact NZ-OD2 3.43Å; K69-D161 PolarHBondContact NZ-OD2 2.79Å; F81-D161 HydrophobicContact CD2-CB 4.25Å; R83-D161 PolarHBondContact NE-O 2.9Å; R83-D161 PolarHBondContact NH2-O 2.85Å; R83-D161 IonicContact NH2-OD1 3.78Å; F158-D161 PolarHBondContact O-N 3.05Å; F158-D161 VanDerWaalsContact O-N 3.13Å; E159-D161 PolarHBondContact O-N 3.3Å; E159-D161 VanDerWaalsContact O-N 3.07Å; D161-I163 PolarHBondContact O-N 2.84Å
162	K	85	Confident	86.5	Confident	69 Å²	69	30.7 Å²	30.7	30%	0.3	14%	0.14	S	C	.	.			trans	-73.4	124.8	-176.2	-63	-172.2	-169.3	160.9	0	111.3	E159 D164 L165	E159-K162 WeakPolarHBondContact O-CB 3.06Å; E159-K162 PolarHBondContact O-N 3.04Å; E159-K162 IonicContact OE1-NZ 2.67Å; E159-K162 PolarHBondContact OE1-NZ 2.94Å; E159-K162 VanDerWaalsContact OE2-CD 3.22Å; E159-K162 WeakPolarHBondContact OE2-CD 3.46Å; E159-K162 WeakPolarHBondContact OE2-CE 3.2Å; E159-K162 IonicContact OE2-NZ 2.7Å; E159-K162 PolarHBondContact OE2-NZ 3.48Å; K162-D164 PolarHBondContact O-N 3.46Å; K162-L165 WeakPolarHBondContact O-CB 3.38Å; K162-L165 PolarHBondContact O-N 3.34Å; K162-L165 VanDerWaalsContact O-N 3.13Å
163	I	81.8	Confident	86.1	Confident	67 Å²	67	28.5 Å²	28.5	34%	0.344	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-55.4	-39.7	173.4	-176.2	170.5	0	0	0	112.8	Y85 D161 L165 G166	Y85-I163 PolarHBondContact OH-O 3.39Å; D161-I163 PolarHBondContact O-N 2.84Å; I163-L165 PolarHBondContact O-N 3.08Å; I163-G166 PolarHBondContact O-N 3.04Å
164	D	81	Confident	85.6	Confident	46 Å²	46	27.3 Å²	27.3	25%	0.246	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-69.3	-13.8	-178.2	-72.5	-35.5	0	0	0	113.6	K162 G166 Y167 H920 K923	K162-D164 PolarHBondContact O-N 3.46Å; D164-G166 PolarHBondContact O-N 3.2Å; D164-G166 VanDerWaalsContact O-N 3.14Å; D164-Y167 HydrophobicContact CB-CD2 4.34Å; D164-Y167 WeakPolarHBondContact O-CD2 3.43Å; D164-Y167 PolarHBondContact O-N 3.3Å; D164-Y167 VanDerWaalsContact O-N 3.08Å; D164-H920 PolarHBondContact O-NE2 3.21Å; D164-H920 VanDerWaalsContact O-NE2 3.12Å; D164-K923 WeakPolarHBondContact OD1-CE 3.35Å; D164-K923 IonicContact OD1-NZ 2.9Å; D164-K923 PolarHBondContact OD1-NZ 3.38Å; D164-K923 WeakPolarHBondContact OD2-CE 3.29Å; D164-K923 IonicContact OD2-NZ 2.86Å; D164-K923 PolarHBondContact OD2-NZ 3.22Å
165	L	86.5	Confident	85	Confident	5 Å²	5	25.4 Å²	25.4	3%	0.026	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-57.8	-27.5	172	-176.4	60	0	0	0	111.2	Q141 L145 K162 I163 Y167 L168 I169 H920	Q141-L165 HydrophobicContact CG-CD2 4.23Å; L145-L165 HydrophobicContact CD2-CD1 3.97Å; K162-L165 WeakPolarHBondContact O-CB 3.38Å; K162-L165 PolarHBondContact O-N 3.34Å; K162-L165 VanDerWaalsContact O-N 3.13Å; I163-L165 PolarHBondContact O-N 3.08Å; L165-Y167 PolarHBondContact O-N 2.96Å; L165-L168 PolarHBondContact O-N 2.98Å; L165-I169 CarbonylContact C-O 3.42Å; L165-I169 HydrophobicContact CD1-CG2 3.84Å; L165-I169 HydrophobicContact CD2-CG2 4.07Å; L165-I169 HydrophobicContact CG-CG2 3.7Å; L165-I169 PolarHBondContact O-N 3.39Å; L165-H920 WeakPolarHBondContact CA-NE2 3.44Å; L165-H920 PolarHBondContact N-NE2 3.11Å; L165-H920 VanDerWaalsContact N-NE2 3.17Å
166	G	83.4	Confident	84.3	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.01	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-61.5	-4.7	173.2	0	0	0	0	0	116.4	Y85 I163 D164 I169 R170	Y85-G166 WeakPolarHBondContact OH-CA 3.49Å; Y85-G166 PolarHBondContact OH-N 3.45Å; I163-G166 PolarHBondContact O-N 3.04Å; D164-G166 PolarHBondContact O-N 3.2Å; D164-G166 VanDerWaalsContact O-N 3.14Å; G166-I169 WeakPolarHBondContact CA-O 3.4Å; G166-R170 VanDerWaalsContact O-CG 3.27Å; G166-R170 WeakPolarHBondContact O-CG 3.34Å; G166-R170 PolarHBondContact O-NE 3.43Å; G166-R170 PolarHBondContact O-NH2 3.08Å
167	Y	81.3	Confident	82.9	Confident	45 Å²	45	28.8 Å²	28.8	18%	0.176	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-83.3	-19.1	166.2	-68.7	-76.9	0	0	0	112.9	L91 D164 L165 K923 E924 Q927	L91-Y167 HydrophobicContact CD1-CD1 4.11Å; L91-Y167 HydrophobicContact CD1-CD2 4.46Å; L91-Y167 HydrophobicContact CD1-CE1 3.47Å; L91-Y167 VanDerWaalsContact CD1-CE1 3.47Å; L91-Y167 HydrophobicContact CD1-CE2 3.87Å; D164-Y167 HydrophobicContact CB-CD2 4.34Å; D164-Y167 WeakPolarHBondContact O-CD2 3.43Å; D164-Y167 PolarHBondContact O-N 3.3Å; D164-Y167 VanDerWaalsContact O-N 3.08Å; L165-Y167 PolarHBondContact O-N 2.96Å; Y167-K923 HydrophobicContact CD1-CB 3.83Å; Y167-K923 HydrophobicContact CD2-CB 3.64Å; Y167-K923 HydrophobicContact CD2-CD 4.09Å; Y167-K923 HydrophobicContact CD2-CG 3.61Å; Y167-K923 HydrophobicContact CE1-CB 3.94Å; Y167-K923 HydrophobicContact CE2-CB 3.76Å; Y167-K923 HydrophobicContact CE2-CD 3.65Å; Y167-K923 HydrophobicContact CE2-CG 3.7Å; Y167-K923 HydrophobicContact CG-CB 3.67Å; Y167-K923 HydrophobicContact CG-CG 4.14Å; Y167-E924 HydrophobicContact CD1-CB 4.06Å; Y167-E924 VanDerWaalsContact CD1-N 3.35Å; Y167-E924 HydrophobicContact CE1-CB 3.94Å; Y167-Q927 PolarHBondContact O-NE2 3.29Å
168	L	86	Confident	81.5	Confident	3 Å²	3	36.4 Å²	36.4	2%	0.016	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-38.4	-178.6	-55.9	-176.1	0	0	0	113.2	N124 F144 I148 L165 H920	N124-L168 PolarHBondContact N-O 2.99Å; N124-L168 WeakPolarHBondContact OD1-CA 3.4Å; N124-L168 PolarHBondContact OD1-O 3.33Å; N124-L168 VanDerWaalsContact OD1-O 3.12Å; F144-L168 HydrophobicContact CE1-CB 3.76Å; F144-L168 HydrophobicContact CZ-CB 3.9Å; F144-L168 WeakPolarHBondContact CZ-O 3.45Å; I148-L168 HydrophobicContact CD1-CD1 3.99Å; L165-L168 PolarHBondContact O-N 2.98Å; L168-H920 HydrophobicContact CD1-CB 4.24Å
169	I	89.7	Confident	80.1	Confident	4 Å²	4	33 Å²	33	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	129.3	174	-172.4	177.3	0	0	0	111	V121 Q122 F123 F144 L165 G166 F171	V121-I169 HydrophobicContact CG2-CD1 3.97Å; V121-I169 HydrophobicContact CG2-CG1 3.78Å; Q122-I169 WeakPolarHBondContact O-CA 3.4Å; F123-I169 HydrophobicContact CD1-CB 4.49Å; F123-I169 HydrophobicContact CD1-CD1 4.1Å; F123-I169 HydrophobicContact CD1-CG1 4.06Å; F123-I169 HydrophobicContact CE1-CD1 3.57Å; F123-I169 HydrophobicContact CE1-CG1 4Å; F123-I169 HydrophobicContact CZ-CD1 4.38Å; F144-I169 HydrophobicContact CB-CD1 4.13Å; F144-I169 HydrophobicContact CD1-CB 3.99Å; F144-I169 HydrophobicContact CD1-CD1 4.35Å; F144-I169 HydrophobicContact CD1-CG2 3.85Å; F144-I169 HydrophobicContact CE1-CB 4.05Å; F144-I169 HydrophobicContact CE1-CG2 4.04Å; F144-I169 HydrophobicContact CG-CD1 4.23Å; L165-I169 CarbonylContact C-O 3.42Å; L165-I169 HydrophobicContact CD1-CG2 3.84Å; L165-I169 HydrophobicContact CD2-CG2 4.07Å; L165-I169 HydrophobicContact CG-CG2 3.7Å; L165-I169 PolarHBondContact O-N 3.39Å; G166-I169 WeakPolarHBondContact CA-O 3.4Å; I169-F171 HydrophobicContact CD1-CE1 4.42Å; I169-F171 HydrophobicContact CD1-CE2 3.79Å; I169-F171 HydrophobicContact CD1-CZ 3.57Å; I169-F171 HydrophobicContact CG1-CE2 4.09Å; I169-F171 HydrophobicContact CG1-CZ 4.21Å
170	R	88.2	Confident	78.2	Confident	12 Å²	12	35 Å²	35	5%	0.045	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141.3	172.8	-60.5	176	-169.2	153.6	3.6	109.7	Y85 V121 Q122 G166 Y172 G180	Y85-R170 HydrophobicContact CD2-CB 3.76Å; Y85-R170 HydrophobicContact CD2-CG 3.96Å; Y85-R170 HydrophobicContact CE2-CB 4.16Å; Y85-R170 HydrophobicContact CE2-CG 4.08Å; Y85-R170 HydrophobicContact CG-CB 4.36Å; Y85-R170 HydrophobicContact CG-CG 4.32Å; V121-R170 CarbonylContact C-O 3.45Å; V121-R170 VanDerWaalsContact CA-O 3.23Å; V121-R170 WeakPolarHBondContact CA-O 3.3Å; V121-R170 WeakPolarHBondContact CG2-O 3.46Å; Q122-R170 HydrophobicContact CB-CB 4.38Å; Q122-R170 PolarHBondContact N-O 2.7Å; Q122-R170 PolarHBondContact O-N 2.97Å; G166-R170 VanDerWaalsContact O-CG 3.27Å; G166-R170 WeakPolarHBondContact O-CG 3.34Å; G166-R170 PolarHBondContact O-NE 3.43Å; G166-R170 PolarHBondContact O-NH2 3.08Å; R170-Y172 HydrophobicContact CB-CD2 4.23Å; R170-Y172 HydrophobicContact CB-CE2 3.74Å; R170-Y172 WeakPolarHBondContact CD-OH 3.42Å; R170-Y172 HydrophobicContact CG-CE2 4.46Å; R170-Y172 PolarHBondContact NH1-OH 2.9Å; R170-Y172 VanDerWaalsContact NH1-OH 3.15Å; R170-G180 VanDerWaalsContact CZ-O 3.22Å; R170-G180 PolarHBondContact NH1-O 2.75Å; R170-G180 PolarHBondContact NH2-O 3.3Å
171	F	90.7	Very high	76.6	Confident	1 Å²	1	35.3 Å²	35.3	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	138.6	161.4	-61.8	-83.5	0	0	0	108.4	V82 L84 Y85 H120 V121 L131 L137 I140 Q141 I169	V82-F171 HydrophobicContact CG1-CB 4.29Å; V82-F171 HydrophobicContact CG1-CD2 3.5Å; V82-F171 HydrophobicContact CG1-CE2 3.99Å; V82-F171 HydrophobicContact CG1-CG 3.96Å; L84-F171 CarbonylContact C-O 3.59Å; L84-F171 WeakPolarHBondContact CA-O 3.15Å; L84-F171 HydrophobicContact CD2-CB 3.76Å; Y85-F171 PolarHBondContact N-O 2.79Å; H120-F171 CarbonylContact O-C 3.54Å; H120-F171 WeakPolarHBondContact O-CA 3.45Å; V121-F171 HydrophobicContact CB-CD1 3.86Å; V121-F171 HydrophobicContact CB-CE1 3.91Å; V121-F171 HydrophobicContact CG2-CD1 3.81Å; V121-F171 HydrophobicContact CG2-CE1 3.56Å; V121-F171 HydrophobicContact CG2-CZ 4.1Å; L131-F171 HydrophobicContact CD1-CD1 3.94Å; L131-F171 HydrophobicContact CD1-CE1 4.23Å; L137-F171 HydrophobicContact CD2-CB 4.29Å; L137-F171 HydrophobicContact CD2-CD1 3.34Å; L137-F171 HydrophobicContact CD2-CE1 3.82Å; L137-F171 HydrophobicContact CD2-CG 3.94Å; L137-F171 WeakPolarHBondContact O-CZ 3.43Å; I140-F171 HydrophobicContact CB-CE1 4.34Å; I140-F171 HydrophobicContact CB-CZ 4.3Å; I140-F171 HydrophobicContact CG2-CE1 4.1Å; I140-F171 HydrophobicContact CG2-CZ 4.12Å; Q141-F171 HydrophobicContact CB-CE2 3.89Å; Q141-F171 HydrophobicContact CB-CZ 3.98Å; Q141-F171 HydrophobicContact CG-CE2 4.23Å; I169-F171 HydrophobicContact CD1-CE1 4.42Å; I169-F171 HydrophobicContact CD1-CE2 3.79Å; I169-F171 HydrophobicContact CD1-CZ 3.57Å; I169-F171 HydrophobicContact CG1-CE2 4.09Å; I169-F171 HydrophobicContact CG1-CZ 4.21Å
172	Y	86.6	Confident	75	Confident	11 Å²	11	34.6 Å²	34.6	4%	0.043	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	150	177.3	-67	-85.5	0	0	0	109.5	Y85 F119 H120 Q122 L128 R170 G174 P176	Y85-Y172 WeakPolarHBondContact O-CD1 3.44Å; F119-Y172 WeakPolarHBondContact CA-O 3.37Å; H120-Y172 PolarHBondContact N-O 2.81Å; H120-Y172 PolarHBondContact O-N 2.66Å; Q122-Y172 HydrophobicContact CB-CE2 3.97Å; L128-Y172 HydrophobicContact CD1-CD2 4.41Å; R170-Y172 HydrophobicContact CB-CD2 4.23Å; R170-Y172 HydrophobicContact CB-CE2 3.74Å; R170-Y172 WeakPolarHBondContact CD-OH 3.42Å; R170-Y172 HydrophobicContact CG-CE2 4.46Å; R170-Y172 PolarHBondContact NH1-OH 2.9Å; R170-Y172 VanDerWaalsContact NH1-OH 3.15Å; Y172-G174 WeakPolarHBondContact CB-O 3.24Å; Y172-P176 HydrophobicContact CD1-CB 4.25Å; Y172-P176 HydrophobicContact CD2-CG 4.08Å; Y172-P176 HydrophobicContact CE1-CB 3.99Å; Y172-P176 HydrophobicContact CE2-CB 4.29Å; Y172-P176 HydrophobicContact CE2-CG 4.02Å; Y172-P176 HydrophobicContact CG-CB 4.5Å; Y172-P176 HydrophobicContact CG-CG 4.35Å
173	A	80.6	Confident	73	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	108	167.6	0	0	0	0	0	107.5	L44 L46 P87 I114 F119	L44-A173 HydrophobicContact CD2-CB 4.47Å; L46-A173 WeakPolarHBondContact CD2-O 3.25Å; P87-A173 WeakPolarHBondContact CG-O 3.38Å; I114-A173 HydrophobicContact CD1-CB 3.71Å; I114-A173 HydrophobicContact CG2-CB 4.46Å; F119-A173 HydrophobicContact CD1-CB 4.36Å; F119-A173 HydrophobicContact CE1-CB 3.89Å; F119-A173 HydrophobicContact CZ-CB 4.17Å
174	G	77.9	Confident	71.4	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	95.6	157	-156.3	0	0	0	0	0	111.4	D118 Y172	D118-G174 CarbonylContact O-C 3.31Å; D118-G174 WeakPolarHBondContact O-CA 3.43Å; D118-G174 PolarHBondContact O-N 3.17Å; Y172-G174 WeakPolarHBondContact CB-O 3.24Å
175	R	75	Confident	69.7	Low	92 Å²	92	35.5 Å²	35.5	35%	0.347	19%	0.189	S	C	.	.			trans	-84.2	128	178.9	-170.2	175.5	178.2	-156.5	-1.6	110.2	Y50 S177 Q286	Y50-R175 PolarHBondContact OH-N 2.83Å; Y50-R175 PolarHBondContact OH-O 3.15Å; Y50-R175 VanDerWaalsContact OH-O 3.08Å; R175-S177 PolarHBondContact O-N 2.85Å; R175-Q286 PolarHBondContact NH2-O 3.24Å
176	P	72.8	Confident	67.9	Low	9 Å²	9	38.2 Å²	38.2	6%	0.058	21%	0.207	C	C	.	.			trans	-64.9	129.8	-179.6	25.6	-34.3	0	0	0	111.9	P87 L128 Y172 L179	P87-P176 WeakPolarHBondContact O-CA 3.16Å; L128-P176 HydrophobicContact CD1-CG 3.89Å; L128-P176 HydrophobicContact CD2-CG 4.07Å; Y172-P176 HydrophobicContact CD1-CB 4.25Å; Y172-P176 HydrophobicContact CD2-CG 4.08Å; Y172-P176 HydrophobicContact CE1-CB 3.99Å; Y172-P176 HydrophobicContact CE2-CB 4.29Å; Y172-P176 HydrophobicContact CE2-CG 4.02Å; Y172-P176 HydrophobicContact CG-CB 4.5Å; Y172-P176 HydrophobicContact CG-CG 4.35Å; P176-L179 HydrophobicContact CB-CD2 4.36Å; P176-L179 HydrophobicContact CG-CD2 3.74Å; P176-L179 HydrophobicContact CG-CG 4.23Å
177	S	61.8	Low	66.7	Low	84 Å²	84	43.8 Å²	43.8	59%	0.587	24%	0.236	S	C	*	.	S	Bend	trans	-84.1	-30.7	-178.6	61.6	0	0	0	0	112.6	P87 R175	P87-S177 PolarHBondContact O-N 3.19Å; R175-S177 PolarHBondContact O-N 2.85Å
178	Q	59.4	Low	65.8	Low	166 Å²	166	42.6 Å²	42.6	78%	0.776	23%	0.234	S	C	*	.	S	Bend	trans	-124.9	112.8	169.6	-65	-170.1	7.9	0	0	110	G180	Q178-G180 PolarHBondContact O-N 2.85Å; Q178-G180 VanDerWaalsContact O-N 3.08Å
179	L	56.1	Low	64.6	Low	35 Å²	35	43.3 Å²	43.3	18%	0.183	24%	0.239	C	C	.	.			trans	-80.6	92.6	178.5	-75.1	144.6	0	0	0	109.6	Q122 L128 P176 G181 R184 Q286	Q122-L179 HydrophobicContact CG-CD2 4.4Å; L128-L179 HydrophobicContact CB-CD2 4.39Å; L128-L179 HydrophobicContact CD1-CD2 4.26Å; L128-L179 HydrophobicContact CD2-CD2 4.32Å; P176-L179 HydrophobicContact CB-CD2 4.36Å; P176-L179 HydrophobicContact CG-CD2 3.74Å; P176-L179 HydrophobicContact CG-CG 4.23Å; L179-G181 PolarHBondContact O-N 3.43Å; L179-R184 VanDerWaalsContact CD1-NH2 3.26Å; L179-Q286 HydrophobicContact CD1-CB 4.42Å
180	G	49.5	Very low	63.6	Low	42 Å²	42	45.8 Å²	45.8	43%	0.433	25%	0.25	S	S	.	.			trans	-69.6	76.6	175.6	0	0	0	0	0	112.1	R170 Q178	R170-G180 VanDerWaalsContact CZ-O 3.22Å; R170-G180 PolarHBondContact NH1-O 2.75Å; R170-G180 PolarHBondContact NH2-O 3.3Å; Q178-G180 PolarHBondContact O-N 2.85Å; Q178-G180 VanDerWaalsContact O-N 3.08Å
181	G	49.3	Very low	62.8	Low	7 Å²	7	45.3 Å²	45.3	7%	0.072	25%	0.249	C	C	.	.	S	Bend	trans	177.9	116	-179.9	0	0	0	0	0	107.4	G125 L179	G125-G181 CarbonylContact O-C 3.57Å; G125-G181 VanDerWaalsContact O-C 3.27Å; G125-G181 WeakPolarHBondContact O-CA 3.32Å; L179-G181 PolarHBondContact O-N 3.43Å
182	Y	51.7	Low	62.2	Low	27 Å²	27	48 Å²	48	11%	0.106	26%	0.263	C	S	.	.	S	Bend	trans	52.1	120.3	-163.1	-55.8	-59.5	0	0	0	116.2	H126 R184 Q927 R928 F1016	H126-Y182 HydrophobicContact CB-CD2 4.26Å; H126-Y182 HydrophobicContact CB-CE2 4.07Å; H126-Y182 AromaticContact CD2-CD2 3.84Å; Y182-R184 PolarHBondContact O-N 3.11Å; Y182-R184 VanDerWaalsContact O-N 3.11Å; Y182-Q927 HydrophobicContact CE1-CB 3.65Å; Y182-Q927 HydrophobicContact CE2-CB 4.18Å; Y182-Q927 VanDerWaalsContact CZ-CB 3.45Å; Y182-Q927 WeakPolarHBondContact OH-CA 3.06Å; Y182-Q927 VanDerWaalsContact OH-CB 3.24Å; Y182-Q927 WeakPolarHBondContact OH-CB 3.49Å; Y182-Q927 PolarHBondContact OH-O 3.22Å; Y182-R928 HydrophobicContact CD1-CB 4.37Å; Y182-R928 HydrophobicContact CD1-CG 3.95Å; Y182-R928 VanDerWaalsContact CD1-NE 3.27Å; Y182-R928 HydrophobicContact CE1-CB 3.58Å; Y182-R928 HydrophobicContact CE1-CG 3.33Å; Y182-R928 PolarHBondContact OH-N 3.18Å; Y182-F1016 HydrophobicContact CE2-CB 3.79Å; Y182-F1016 WeakPolarHBondContact OH-CB 3.13Å; Y182-F1016 WeakPolarHBondContact OH-CD1 3.35Å; Y182-F1016 WeakPolarHBondContact OH-CG 3.32Å; Y182-F1016 PolarHBondContact OH-N 3.44Å
183	S	44.2	Very low	61.9	Low	58 Å²	58	47.6 Å²	47.6	41%	0.406	26%	0.262	S	S	.	.			trans	-55.1	122.9	156.1	-177.4	0	0	0	0	109.4	A185	S183-A185 PolarHBondContact O-N 2.59Å; S183-A185 WeakPolarHBondContact OG-CB 3.35Å; S183-A185 PolarHBondContact OG-N 2.98Å
184	R	48.6	Very low	61.9	Low	118 Å²	118	50.4 Å²	50.4	45%	0.445	27%	0.272	S	S	.	.			trans	-65.1	6.2	169.8	-69	-179.1	170.2	175.6	-3.3	113.2	L179 Y182 D284 M285	L179-R184 VanDerWaalsContact CD1-NH2 3.26Å; Y182-R184 PolarHBondContact O-N 3.11Å; Y182-R184 VanDerWaalsContact O-N 3.11Å; R184-D284 PolarHBondContact NE-O 2.99Å; R184-D284 PolarHBondContact NH2-O 3.41Å; R184-M285 PolarHBondContact NH1-SD 2.91Å; R184-M285 PolarHBondContact NH2-O 3.03Å
185	A	44.4	Very low	61.8	Low	25 Å²	25	53.3 Å²	53.3	21%	0.207	29%	0.285	C	S	.	.			trans	-58.8	125.2	174.1	0	0	0	0	0	110.3	S183 V272	S183-A185 PolarHBondContact O-N 2.59Å; S183-A185 WeakPolarHBondContact OG-CB 3.35Å; S183-A185 PolarHBondContact OG-N 2.98Å; A185-V272 HydrophobicContact CB-CG1 4.42Å
186	P	49.4	Very low	61.5	Low	63 Å²	63	56.7 Å²	56.7	41%	0.409	30%	0.298	S	S	.	.			trans	-58.2	145.2	170.8	24.3	-33.3	0	0	0	110	S188 V208 L209	P186-S188 WeakPolarHBondContact O-CB 3.12Å; P186-S188 PolarHBondContact O-N 3.5Å; P186-S188 PolarHBondContact O-OG 3.31Å; P186-V208 HydrophobicContact CB-CG1 3.65Å; P186-V208 HydrophobicContact CG-CG1 3.51Å; P186-L209 WeakPolarHBondContact CB-O 3.47Å
187	L	57.7	Low	60.8	Low	117 Å²	117	57.6 Å²	57.6	61%	0.613	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	111.5	-170.4	-87.3	171.2	0	0	0	110.5	L209	L187-L209 HydrophobicContact CB-CB 4.12Å; L187-L209 HydrophobicContact CB-CD2 4.42Å; L187-L209 HydrophobicContact CD1-CD2 4.34Å; L187-L209 PolarHBondContact N-O 3.36Å; L187-L209 WeakPolarHBondContact O-CB 3.3Å; L187-L209 PolarHBondContact O-N 3.06Å
188	S	61.5	Low	60.2	Low	20 Å²	20	59.1 Å²	59.1	14%	0.14	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	141.4	-168.9	41.2	0	0	0	0	112.6	P186 Y206 C207	P186-S188 WeakPolarHBondContact O-CB 3.12Å; P186-S188 PolarHBondContact O-N 3.5Å; P186-S188 PolarHBondContact O-OG 3.31Å; S188-Y206 WeakPolarHBondContact CB-OH 3.15Å; S188-Y206 PolarHBondContact OG-OH 2.84Å; S188-C207 WeakPolarHBondContact CA-O 3.4Å; S188-C207 WeakPolarHBondContact CB-O 3.44Å
189	C	60.8	Low	59.7	Low	18 Å²	18	60.5 Å²	60.5	12%	0.122	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.1	175.5	53.8	0	0	0	0	111.3	C191 C207	C189-C191 HydrophobicContact CB-CB 4.06Å; C189-C191 WeakPolarHBondContact CB-SG 3.28Å; C189-C191 PolarHBondContact O-SG 3.04Å; C189-C191 WeakPolarHBondContact SG-CB 3.37Å; C189-C191 CovalentContact SG-SG 2.06Å; C189-C191 PolarHBondContact SG-SG 2.92Å; C189-C207 PolarHBondContact N-O 3.12Å; C189-C207 VanDerWaalsContact N-O 3.08Å; C189-C207 PolarHBondContact O-N 3.33Å
190	H	69	Low	60.1	Low	56 Å²	56	65.8 Å²	65.8	26%	0.259	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	103.8	150.8	-93.2	-50.5	0	0	0	109.1	R204 R205 Y206 E271	H190-R204 HydrophobicContact CB-CG 4.22Å; H190-R204 VanDerWaalsContact CB-NH2 3.29Å; H190-R205 CarbonylContact C-O 3.55Å; H190-R205 VanDerWaalsContact CA-O 3.32Å; H190-R205 WeakPolarHBondContact CA-O 3.2Å; H190-R205 PolarHBondContact ND1-O 2.98Å; H190-Y206 PolarHBondContact ND1-N 3.29Å; H190-E271 IonicContact CD2-OE2 3.15Å
191	C	71.6	Confident	61.1	Low	3 Å²	3	72.4 Å²	72.4	2%	0.02	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	154.9	-168.6	16.3	0	0	0	0	110.2	C189 R205 L266	C189-C191 HydrophobicContact CB-CB 4.06Å; C189-C191 WeakPolarHBondContact CB-SG 3.28Å; C189-C191 PolarHBondContact O-SG 3.04Å; C189-C191 WeakPolarHBondContact SG-CB 3.37Å; C189-C191 CovalentContact SG-SG 2.06Å; C189-C191 PolarHBondContact SG-SG 2.92Å; C191-R205 PolarHBondContact N-O 3.37Å; C191-R205 PolarHBondContact O-N 2.95Å; C191-L266 HydrophobicContact CB-CD2 4.46Å
192	L	77.9	Confident	62.4	Low	56 Å²	56	74.3 Å²	74.3	29%	0.293	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	121.3	-174.4	-80.4	170.9	0	0	0	110.1	W202 R204 Y264 S265	L192-W202 HydrophobicContact CB-CE3 4.26Å; L192-W202 WeakPolarHBondContact O-CZ3 3.29Å; L192-R204 HydrophobicContact CD2-CB 4.08Å; L192-Y264 CarbonylContact O-C 3.48Å; L192-Y264 VanDerWaalsContact O-CA 3.3Å; L192-Y264 WeakPolarHBondContact O-CA 3.36Å; L192-S265 PolarHBondContact N-O 3.4Å; L192-S265 VanDerWaalsContact N-O 3.12Å; L192-S265 PolarHBondContact O-N 2.95Å
193	V	81.6	Confident	63.6	Low	4 Å²	4	74.4 Å²	74.4	2%	0.024	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	142.3	-170.4	-171.2	0	0	0	0	111.5	S203 R205 I216 V262 F263 Y264	V193-S203 PolarHBondContact N-O 3Å; V193-S203 PolarHBondContact O-N 2.68Å; V193-S203 PolarHBondContact O-OG 2.8Å; V193-R205 HydrophobicContact CB-CB 4.3Å; V193-R205 HydrophobicContact CB-CG 3.7Å; V193-R205 HydrophobicContact CG1-CG 4.42Å; V193-R205 HydrophobicContact CG2-CB 3.81Å; V193-R205 HydrophobicContact CG2-CG 3.78Å; V193-I216 HydrophobicContact CG1-CD1 4.18Å; V193-I216 HydrophobicContact CG1-CG2 4.19Å; V193-I216 HydrophobicContact CG2-CG2 4.19Å; V193-V262 HydrophobicContact CG1-CG1 3.41Å; V193-V262 VanDerWaalsContact CG1-CG1 3.41Å; V193-F263 CarbonylContact C-O 3.38Å; V193-F263 WeakPolarHBondContact CA-O 3.37Å; V193-Y264 HydrophobicContact CB-CD1 4.47Å; V193-Y264 HydrophobicContact CG1-CD1 4.23Å; V193-Y264 HydrophobicContact CG1-CE1 3.95Å; V193-Y264 HydrophobicContact CG2-CD1 3.65Å; V193-Y264 HydrophobicContact CG2-CE1 3.77Å
194	R	80.3	Confident	65.3	Low	58 Å²	58	78 Å²	78	22%	0.219	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	111.6	176.8	-168.7	176.8	90	107.6	-4.3	111.5	R200 W202 F263	R194-R200 VanDerWaalsContact CD-O 3.28Å; R194-R200 WeakPolarHBondContact CD-O 3.32Å; R194-R200 WeakPolarHBondContact CG-O 3.42Å; R194-R200 PolarHBondContact NH1-O 2.79Å; R194-W202 HydrophobicContact CB-CD2 3.78Å; R194-W202 HydrophobicContact CB-CE3 3.63Å; R194-W202 HydrophobicContact CB-CG 4.31Å; R194-W202 HydrophobicContact CB-CZ3 4.02Å; R194-W202 HydrophobicContact CG-CD2 4.48Å; R194-F263 HydrophobicContact CB-CB 4.43Å; R194-F263 PolarHBondContact N-O 2.92Å; R194-F263 PolarHBondContact O-N 3.34Å
195	K	75.7	Confident	66.6	Low	62 Å²	62	74.7 Å²	74.7	27%	0.27	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	152.8	169.1	-57.8	-172.4	-166.8	-170.9	0	110.9	D229	K195-D229 WeakPolarHBondContact CE-OD1 3.47Å; K195-D229 WeakPolarHBondContact CE-OD2 3.48Å; K195-D229 IonicContact NZ-OD1 2.76Å; K195-D229 PolarHBondContact NZ-OD1 2.84Å; K195-D229 IonicContact NZ-OD2 3.56Å; K195-D229 PolarHBondContact NZ-OD2 2.85Å
196	R	67.7	Low	68	Low	163 Å²	163	75.3 Å²	75.3	62%	0.615	35%	0.354	S	S	*	.	S	Bend	trans	-56	138.5	177.9	-153.9	-176.9	-172.4	-177	0.4	111.9	Q261	R196-Q261 HydrophobicContact CB-CB 4.2Å; R196-Q261 WeakPolarHBondContact CB-O 3.39Å; R196-Q261 HydrophobicContact CG-CB 4.37Å; R196-Q261 PolarHBondContact N-O 3.17Å
197	G	59.2	Low	69.1	Low	27 Å²	27	72.4 Å²	72.4	28%	0.278	34%	0.335	S	S	.	.	S	Bend	trans	147.2	141.5	177.2	0	0	0	0	0	110.2	F199	G197-F199 VanDerWaalsContact C-N 3.28Å; G197-F199 PolarHBondContact O-N 3.07Å
198	P	49	Very low	69.6	Low	116 Å²	116	67.6 Å²	67.6	75%	0.753	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-34.6	-175	21.4	-30.9	0	0	0	112.9
199	F	48.5	Very low	69.9	Low	195 Å²	195	69.4 Å²	69.4	86%	0.855	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-3.2	-174.3	-53.4	-66.2	0	0	0	115.3	G197 K201	G197-F199 VanDerWaalsContact C-N 3.28Å; G197-F199 PolarHBondContact O-N 3.07Å; F199-K201 PolarHBondContact O-N 2.76Å
200	R	64.9	Low	69.7	Low	146 Å²	146	69.1 Å²	69.1	55%	0.551	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-76.3	117.5	177.4	-73.5	-167.8	-178	-115.9	4.5	110.1	R194	R194-R200 VanDerWaalsContact CD-O 3.28Å; R194-R200 WeakPolarHBondContact CD-O 3.32Å; R194-R200 WeakPolarHBondContact CG-O 3.42Å; R194-R200 PolarHBondContact NH1-O 2.79Å
201	K	70.5	Confident	69.2	Low	182 Å²	182	70.9 Å²	70.9	79%	0.791	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-71.5	160.8	174.6	-64.4	-178.3	-179.9	178.6	0	111.2	F199	F199-K201 PolarHBondContact O-N 2.76Å
202	W	77	Confident	68.6	Low	47 Å²	47	75.4 Å²	75.4	18%	0.178	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-66	142.6	163.4	-68.2	101.8	0	0	0	110	L192 R194 S245 Q246 C249 F263	L192-W202 HydrophobicContact CB-CE3 4.26Å; L192-W202 WeakPolarHBondContact O-CZ3 3.29Å; R194-W202 HydrophobicContact CB-CD2 3.78Å; R194-W202 HydrophobicContact CB-CE3 3.63Å; R194-W202 HydrophobicContact CB-CG 4.31Å; R194-W202 HydrophobicContact CB-CZ3 4.02Å; R194-W202 HydrophobicContact CG-CD2 4.48Å; W202-S245 PolarHBondContact NE1-OG 3.28Å; W202-Q246 HydrophobicContact CD2-CG 3.97Å; W202-Q246 HydrophobicContact CG-CG 4.14Å; W202-Q246 HydrophobicContact CZ2-CB 3.95Å; W202-Q246 HydrophobicContact CZ2-CG 3.92Å; W202-C249 HydrophobicContact CH2-CB 3.82Å; W202-C249 HydrophobicContact CZ2-CB 4.41Å; W202-F263 HydrophobicContact CH2-CB 3.57Å; W202-F263 HydrophobicContact CZ2-CB 4.31Å; W202-F263 HydrophobicContact CZ3-CB 4Å; W202-F263 WeakPolarHBondContact CZ3-O 3.33Å
203	S	76.3	Confident	67.9	Low	29 Å²	29	76.4 Å²	76.4	20%	0.203	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	142.1	-179.2	52.9	0	0	0	0	110.8	V193 R205	V193-S203 PolarHBondContact N-O 3Å; V193-S203 PolarHBondContact O-N 2.68Å; V193-S203 PolarHBondContact O-OG 2.8Å; S203-R205 VanDerWaalsContact CB-NH2 3.3Å; S203-R205 PolarHBondContact O-N 3.25Å; S203-R205 PolarHBondContact OG-NE 2.97Å; S203-R205 PolarHBondContact OG-NH2 2.93Å
204	R	79.3	Confident	67.6	Low	132 Å²	132	77.4 Å²	77.4	50%	0.498	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	95.8	-177.6	-177.5	179.6	176.6	92	1.5	109	H190 L192 T269	H190-R204 HydrophobicContact CB-CG 4.22Å; H190-R204 VanDerWaalsContact CB-NH2 3.29Å; L192-R204 HydrophobicContact CD2-CB 4.08Å; R204-T269 PolarHBondContact NH2-OG1 2.82Å
205	R	76.5	Confident	67.3	Low	49 Å²	49	75.5 Å²	75.5	19%	0.185	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	153.7	179	-56.6	-73.4	158.6	-168.8	-14.3	110	H190 C191 V193 S203 I216 F217 D219	H190-R205 CarbonylContact C-O 3.55Å; H190-R205 VanDerWaalsContact CA-O 3.32Å; H190-R205 WeakPolarHBondContact CA-O 3.2Å; H190-R205 PolarHBondContact ND1-O 2.98Å; C191-R205 PolarHBondContact N-O 3.37Å; C191-R205 PolarHBondContact O-N 2.95Å; V193-R205 HydrophobicContact CB-CB 4.3Å; V193-R205 HydrophobicContact CB-CG 3.7Å; V193-R205 HydrophobicContact CG1-CG 4.42Å; V193-R205 HydrophobicContact CG2-CB 3.81Å; V193-R205 HydrophobicContact CG2-CG 3.78Å; S203-R205 VanDerWaalsContact CB-NH2 3.3Å; S203-R205 PolarHBondContact O-N 3.25Å; S203-R205 PolarHBondContact OG-NE 2.97Å; S203-R205 PolarHBondContact OG-NH2 2.93Å; R205-I216 HydrophobicContact CB-CG2 3.54Å; R205-I216 HydrophobicContact CG-CG2 3.65Å; R205-F217 WeakPolarHBondContact CD-O 3.45Å; R205-D219 IonicContact CZ-OD1 3.69Å; R205-D219 IonicContact CZ-OD2 2.62Å; R205-D219 IonicContact NE-OD1 3.5Å; R205-D219 VanDerWaalsContact NH1-N 3.11Å; R205-D219 IonicContact NH1-OD1 3.33Å; R205-D219 PolarHBondContact NH1-OD1 3.46Å; R205-D219 IonicContact NH1-OD2 3.46Å; R205-D219 PolarHBondContact NH1-OD2 3.37Å; R205-D219 VanDerWaalsContact NH2-CG 3.26Å; R205-D219 IonicContact NH2-OD1 3.22Å; R205-D219 PolarHBondContact NH2-OD1 2.65Å; R205-D219 VanDerWaalsContact NH2-OD1 3.15Å; R205-D219 IonicContact NH2-OD2 2.64Å; R205-D219 PolarHBondContact NH2-OD2 3.07Å
206	Y	72.9	Confident	67.5	Low	39 Å²	39	72.7 Å²	72.7	15%	0.153	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	132.7	156.2	-174.3	-116.4	0	0	0	107.8	S188 H190 V208 F217 C273	S188-Y206 WeakPolarHBondContact CB-OH 3.15Å; S188-Y206 PolarHBondContact OG-OH 2.84Å; H190-Y206 PolarHBondContact ND1-N 3.29Å; Y206-V208 HydrophobicContact CD1-CG2 3.97Å; Y206-V208 HydrophobicContact CE1-CG2 3.3Å; Y206-F217 AromaticContact CD1-CD2 3.73Å; Y206-F217 HydrophobicContact CD1-CD2 3.73Å; Y206-F217 HydrophobicContact CD1-CE2 4.14Å; Y206-F217 HydrophobicContact CD1-CG 4.14Å; Y206-F217 HydrophobicContact CE1-CD2 4.45Å; Y206-F217 HydrophobicContact CE1-CE2 4.43Å; Y206-F217 PolarHBondContact O-N 2.87Å; Y206-C273 VanDerWaalsContact CZ-SG 3.6Å; Y206-C273 WeakPolarHBondContact OH-CB 3.09Å; Y206-C273 PolarHBondContact OH-SG 3.21Å
207	C	73.9	Confident	67.8	Low	2 Å²	2	67.9 Å²	67.9	1%	0.014	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	143.9	177.8	-50.9	0	0	0	0	109.9	S188 C189 L214 F215	S188-C207 WeakPolarHBondContact CA-O 3.4Å; S188-C207 WeakPolarHBondContact CB-O 3.44Å; C189-C207 PolarHBondContact N-O 3.12Å; C189-C207 VanDerWaalsContact N-O 3.08Å; C189-C207 PolarHBondContact O-N 3.33Å; C207-L214 HydrophobicContact CB-CD1 3.95Å; C207-F215 CarbonylContact C-O 3.28Å; C207-F215 WeakPolarHBondContact CA-O 3.1Å
208	V	66.7	Low	68.4	Low	15 Å²	15	67.5 Å²	67.5	9%	0.091	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	124.8	-179.8	-178.3	0	0	0	0	109.2	P186 Y206 F215 F217	P186-V208 HydrophobicContact CB-CG1 3.65Å; P186-V208 HydrophobicContact CG-CG1 3.51Å; Y206-V208 HydrophobicContact CD1-CG2 3.97Å; Y206-V208 HydrophobicContact CE1-CG2 3.3Å; V208-F215 HydrophobicContact CB-CB 4.42Å; V208-F215 PolarHBondContact N-O 3.47Å; V208-F215 PolarHBondContact O-N 3.05Å; V208-F217 HydrophobicContact CB-CE2 4.1Å; V208-F217 HydrophobicContact CG2-CD2 4.35Å; V208-F217 HydrophobicContact CG2-CE2 3.59Å; V208-F217 HydrophobicContact CG2-CZ 4.32Å
209	L	67.9	Low	68.9	Low	59 Å²	59	66.6 Å²	66.6	31%	0.309	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.5	172.5	-179.9	66.9	0	0	0	109.3	P186 L187 R213 L214 L233	P186-L209 WeakPolarHBondContact CB-O 3.47Å; L187-L209 HydrophobicContact CB-CB 4.12Å; L187-L209 HydrophobicContact CB-CD2 4.42Å; L187-L209 HydrophobicContact CD1-CD2 4.34Å; L187-L209 PolarHBondContact N-O 3.36Å; L187-L209 WeakPolarHBondContact O-CB 3.3Å; L187-L209 PolarHBondContact O-N 3.06Å; L209-R213 WeakPolarHBondContact CA-O 3.11Å; L209-L214 HydrophobicContact CB-CD1 4.24Å; L209-L214 HydrophobicContact CD1-CB 4.43Å; L209-L233 HydrophobicContact CD1-CD1 3.54Å
210	S	58.5	Low	69	Low	12 Å²	12	62.7 Å²	62.7	8%	0.084	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.8	167.1	140.2	0	0	0	0	107.9	N212 R213 D281	S210-N212 PolarHBondContact O-N 3.04Å; S210-R213 PolarHBondContact N-O 3.34Å; S210-R213 PolarHBondContact O-N 3.46Å; S210-R213 VanDerWaalsContact O-O 3.06Å; S210-D281 PolarHBondContact OG-OD2 2.95Å
211	Q	57	Low	68.2	Low	92 Å²	92	59.7 Å²	59.7	43%	0.43	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	-133.1	-175	-52.5	165.5	32.9	0	0	110.7	R213 D281 N307	Q211-R213 VanDerWaalsContact C-N 3.29Å; Q211-R213 PolarHBondContact O-N 3.3Å; Q211-D281 VanDerWaalsContact NE2-CG 3.32Å; Q211-D281 PolarHBondContact NE2-OD2 3.49Å; Q211-N307 WeakPolarHBondContact CG-ND2 3.34Å; Q211-N307 PolarHBondContact NE2-ND2 2.76Å
212	N	59.5	Low	66.9	Low	98 Å²	98	59.2 Å²	59.2	52%	0.524	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	30	175.5	-60.3	-26.8	0	0	0	112.9	S210 L233 D234	S210-N212 PolarHBondContact O-N 3.04Å; N212-L233 HydrophobicContact CB-CB 4.48Å; N212-L233 WeakPolarHBondContact O-CB 3.46Å; N212-L233 PolarHBondContact O-N 3.22Å; N212-D234 HydrophobicContact CB-CB 3.76Å
213	R	63.1	Low	65.1	Low	77 Å²	77	67.5 Å²	67.5	29%	0.291	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	125.8	-179.1	-59.3	-173.8	-159.7	169.8	11.6	112	L209 S210 Q211 F215 T230 V231	L209-R213 WeakPolarHBondContact CA-O 3.11Å; S210-R213 PolarHBondContact N-O 3.34Å; S210-R213 PolarHBondContact O-N 3.46Å; S210-R213 VanDerWaalsContact O-O 3.06Å; Q211-R213 VanDerWaalsContact C-N 3.29Å; Q211-R213 PolarHBondContact O-N 3.3Å; R213-F215 HydrophobicContact CB-CE2 4.07Å; R213-F215 HydrophobicContact CB-CZ 4.11Å; R213-T230 HydrophobicContact CB-CG2 4.09Å; R213-T230 HydrophobicContact CG-CG2 4.21Å; R213-V231 WeakPolarHBondContact CA-O 3.3Å
214	L	75	Confident	63.4	Low	26 Å²	26	68.5 Å²	68.5	14%	0.136	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	105.6	170.1	-177.8	58	0	0	0	109.3	C207 L209 V231 L233 L252 Y264	C207-L214 HydrophobicContact CB-CD1 3.95Å; L209-L214 HydrophobicContact CB-CD1 4.24Å; L209-L214 HydrophobicContact CD1-CB 4.43Å; L214-V231 HydrophobicContact CB-CB 4.39Å; L214-V231 PolarHBondContact N-O 3.07Å; L214-V231 PolarHBondContact O-N 3.18Å; L214-L233 HydrophobicContact CB-CD1 4.42Å; L214-L233 HydrophobicContact CB-CD2 4.41Å; L214-L252 HydrophobicContact CD2-CD1 3.73Å; L214-Y264 HydrophobicContact CD2-CD1 4.2Å; L214-Y264 HydrophobicContact CD2-CE1 3.56Å; L214-Y264 HydrophobicContact CD2-CE2 4.09Å; L214-Y264 VanDerWaalsContact CD2-CZ 3.47Å; L214-Y264 HydrophobicContact CG-CE1 4.3Å
215	F	74.3	Confident	61.7	Low	18 Å²	18	68.6 Å²	68.6	8%	0.079	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	139.1	174	-61	-77	0	0	0	110.3	C207 V208 R213 F217 L228 D229 T230 L278	C207-F215 CarbonylContact C-O 3.28Å; C207-F215 WeakPolarHBondContact CA-O 3.1Å; V208-F215 HydrophobicContact CB-CB 4.42Å; V208-F215 PolarHBondContact N-O 3.47Å; V208-F215 PolarHBondContact O-N 3.05Å; R213-F215 HydrophobicContact CB-CE2 4.07Å; R213-F215 HydrophobicContact CB-CZ 4.11Å; F215-F217 HydrophobicContact CB-CE2 3.94Å; F215-L228 HydrophobicContact CB-CD1 4.34Å; F215-L228 HydrophobicContact CD1-CD2 3.76Å; F215-L228 HydrophobicContact CD1-CG 4.18Å; F215-L228 HydrophobicContact CE1-CD2 4.27Å; F215-D229 CarbonylContact C-O 3.55Å; F215-D229 WeakPolarHBondContact CA-O 3.49Å; F215-T230 HydrophobicContact CD1-CG2 4.04Å; F215-T230 WeakPolarHBondContact CD1-OG1 3.47Å; F215-T230 HydrophobicContact CE1-CG2 3.72Å; F215-T230 WeakPolarHBondContact CE1-OG1 3.39Å; F215-T230 HydrophobicContact CZ-CG2 4.43Å; F215-L278 HydrophobicContact CE2-CD1 4.03Å; F215-L278 HydrophobicContact CZ-CD1 4.38Å; F215-L278 HydrophobicContact CZ-CD2 4.45Å
216	I	78.8	Confident	60.6	Low	2 Å²	2	71.2 Å²	71.2	1%	0.01	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	123.6	177	-25.7	172.8	0	0	0	108.9	V193 R205 D229 V231 V262 Y264	V193-I216 HydrophobicContact CG1-CD1 4.18Å; V193-I216 HydrophobicContact CG1-CG2 4.19Å; V193-I216 HydrophobicContact CG2-CG2 4.19Å; R205-I216 HydrophobicContact CB-CG2 3.54Å; R205-I216 HydrophobicContact CG-CG2 3.65Å; I216-D229 HydrophobicContact CB-CB 3.85Å; I216-D229 HydrophobicContact CD1-CB 3.64Å; I216-D229 HydrophobicContact CG1-CB 3.69Å; I216-D229 PolarHBondContact N-O 3.14Å; I216-D229 PolarHBondContact O-N 2.92Å; I216-V231 HydrophobicContact CD1-CG2 4.15Å; I216-V262 HydrophobicContact CD1-CG1 4.02Å; I216-V262 HydrophobicContact CD1-CG2 4.49Å; I216-Y264 HydrophobicContact CD1-CE1 4.42Å; I216-Y264 WeakPolarHBondContact CD1-OH 3.02Å; I216-Y264 WeakPolarHBondContact CG1-OH 3.23Å
217	F	74.5	Confident	59.7	Low	62 Å²	62	78 Å²	78	27%	0.272	43%	0.428	S	S	.	.			trans	-97.5	156.1	-177.4	-65.4	-102.7	0	0	0	111.8	R205 Y206 V208 F215 L228	R205-F217 WeakPolarHBondContact CD-O 3.45Å; Y206-F217 AromaticContact CD1-CD2 3.73Å; Y206-F217 HydrophobicContact CD1-CD2 3.73Å; Y206-F217 HydrophobicContact CD1-CE2 4.14Å; Y206-F217 HydrophobicContact CD1-CG 4.14Å; Y206-F217 HydrophobicContact CE1-CD2 4.45Å; Y206-F217 HydrophobicContact CE1-CE2 4.43Å; Y206-F217 PolarHBondContact O-N 2.87Å; V208-F217 HydrophobicContact CB-CE2 4.1Å; V208-F217 HydrophobicContact CG2-CD2 4.35Å; V208-F217 HydrophobicContact CG2-CE2 3.59Å; V208-F217 HydrophobicContact CG2-CZ 4.32Å; F215-F217 HydrophobicContact CB-CE2 3.94Å; F217-L228 HydrophobicContact CD1-CD1 3.76Å; F217-L228 HydrophobicContact CD2-CD1 4.13Å; F217-L228 HydrophobicContact CE1-CD1 3.68Å; F217-L228 HydrophobicContact CE2-CD1 4.04Å; F217-L228 HydrophobicContact CG-CD1 4Å; F217-L228 HydrophobicContact CZ-CD1 3.82Å
218	G	71.7	Confident	59.3	Low	19 Å²	19	81.7 Å²	81.7	20%	0.196	45%	0.447	C	S	.	.			trans	-56.1	170.8	175.7	0	0	0	0	0	115	N220 D226	G218-N220 PolarHBondContact O-N 2.95Å; G218-D226 WeakPolarHBondContact CA-OD2 3.28Å
219	D	60.7	Low	59.7	Low	98 Å²	98	83 Å²	83	52%	0.524	45%	0.453	S	S	.	.	S	Bend	trans	-69.6	-13.6	-179.4	-72.5	-59.9	0	0	0	112.4	R205	R205-D219 IonicContact CZ-OD1 3.69Å; R205-D219 IonicContact CZ-OD2 2.62Å; R205-D219 IonicContact NE-OD1 3.5Å; R205-D219 VanDerWaalsContact NH1-N 3.11Å; R205-D219 IonicContact NH1-OD1 3.33Å; R205-D219 PolarHBondContact NH1-OD1 3.46Å; R205-D219 IonicContact NH1-OD2 3.46Å; R205-D219 PolarHBondContact NH1-OD2 3.37Å; R205-D219 VanDerWaalsContact NH2-CG 3.26Å; R205-D219 IonicContact NH2-OD1 3.22Å; R205-D219 PolarHBondContact NH2-OD1 2.65Å; R205-D219 VanDerWaalsContact NH2-OD1 3.15Å; R205-D219 IonicContact NH2-OD2 2.64Å; R205-D219 PolarHBondContact NH2-OD2 3.07Å
220	N	50.8	Low	59.9	Low	112 Å²	112	82.3 Å²	82.3	60%	0.599	45%	0.452	S	S	*	.	S	Bend	trans	-131.2	121.1	174.1	-67.5	-85.5	0	0	0	109.7	G218 K222	G218-N220 PolarHBondContact O-N 2.95Å; N220-K222 HydrophobicContact CB-CG 4.49Å; N220-K222 PolarHBondContact O-N 2.74Å
221	G	47.6	Very low	60.6	Low	83 Å²	83	82 Å²	82	86%	0.856	45%	0.45	S	S	*	.			trans	-70.5	31.1	176.3	0	0	0	0	0	115.3
222	K	43.6	Very low	61.1	Low	172 Å²	172	80.7 Å²	80.7	75%	0.748	44%	0.443	S	S	*	.			trans	-76.9	128.6	174.8	-68.9	-175	178.7	-178.8	0	108.5	N220 G224	N220-K222 HydrophobicContact CB-CG 4.49Å; N220-K222 PolarHBondContact O-N 2.74Å; K222-G224 PolarHBondContact O-N 3.46Å
223	K	39.2	Very low	61.4	Low	221 Å²	221	79.1 Å²	79.1	96%	0.961	44%	0.435	S	S	*	.	S	Bend	trans	-67.6	93.1	177.5	-68.4	-176.3	176.8	-177.7	0	110.1
224	G	40.8	Very low	61	Low	51 Å²	51	78.8 Å²	78.8	53%	0.526	44%	0.439	S	S	.	.	S	Bend	trans	162.6	131.9	175.8	0	0	0	0	0	113.6	K222 D226	K222-G224 PolarHBondContact O-N 3.46Å; G224-D226 VanDerWaalsContact C-N 3.3Å; G224-D226 PolarHBondContact O-N 3.45Å
225	S	43.4	Very low	59.9	Low	133 Å²	133	82.8 Å²	82.8	93%	0.93	46%	0.455	S	S	*	.	S	Bend	trans	58.8	-17.2	164.4	57.1	0	0	0	0	121.9	E227	S225-E227 PolarHBondContact O-N 3.48Å
226	D	51.9	Low	59.1	Low	105 Å²	105	83 Å²	83	56%	0.561	46%	0.462	S	S	*	.			trans	-77.6	118.5	172	-105.1	13.8	0	0	0	110.5	G218 G224 L228	G218-D226 WeakPolarHBondContact CA-OD2 3.28Å; G224-D226 VanDerWaalsContact C-N 3.3Å; G224-D226 PolarHBondContact O-N 3.45Å; D226-L228 PolarHBondContact O-N 2.93Å
227	E	55.1	Low	58.1	Low	180 Å²	180	88.7 Å²	88.7	84%	0.841	49%	0.487	S	S	*	.			trans	-69.9	124.2	-173.9	-168.5	176.3	-134.8	0	0	112	S225 D229	S225-E227 PolarHBondContact O-N 3.48Å; E227-D229 PolarHBondContact O-N 3.08Å
228	L	66	Low	57.6	Low	80 Å²	80	89 Å²	89	42%	0.419	50%	0.501	S	S	.	.			trans	-77.2	106.5	-173.9	-176.6	70.9	0	0	0	111.7	F215 F217 D226 T230	F215-L228 HydrophobicContact CB-CD1 4.34Å; F215-L228 HydrophobicContact CD1-CD2 3.76Å; F215-L228 HydrophobicContact CD1-CG 4.18Å; F215-L228 HydrophobicContact CE1-CD2 4.27Å; F217-L228 HydrophobicContact CD1-CD1 3.76Å; F217-L228 HydrophobicContact CD2-CD1 4.13Å; F217-L228 HydrophobicContact CE1-CD1 3.68Å; F217-L228 HydrophobicContact CE2-CD1 4.04Å; F217-L228 HydrophobicContact CG-CD1 4Å; F217-L228 HydrophobicContact CZ-CD1 3.82Å; D226-L228 PolarHBondContact O-N 2.93Å; L228-T230 PolarHBondContact O-N 3.03Å
229	D	73.4	Confident	57.1	Low	42 Å²	42	96.5 Å²	96.5	23%	0.225	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	128.3	172.5	-70	-74.9	0	0	0	110.9	K195 F215 I216 E227	K195-D229 WeakPolarHBondContact CE-OD1 3.47Å; K195-D229 WeakPolarHBondContact CE-OD2 3.48Å; K195-D229 IonicContact NZ-OD1 2.76Å; K195-D229 PolarHBondContact NZ-OD1 2.84Å; K195-D229 IonicContact NZ-OD2 3.56Å; K195-D229 PolarHBondContact NZ-OD2 2.85Å; F215-D229 CarbonylContact C-O 3.55Å; F215-D229 WeakPolarHBondContact CA-O 3.49Å; I216-D229 HydrophobicContact CB-CB 3.85Å; I216-D229 HydrophobicContact CD1-CB 3.64Å; I216-D229 HydrophobicContact CG1-CB 3.69Å; I216-D229 PolarHBondContact N-O 3.14Å; I216-D229 PolarHBondContact O-N 2.92Å; E227-D229 PolarHBondContact O-N 3.08Å
230	T	73.6	Confident	56.8	Low	46 Å²	46	98 Å²	98	28%	0.282	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	108.8	174	-57.1	0	0	0	0	109.4	R213 F215 L228 H232	R213-T230 HydrophobicContact CB-CG2 4.09Å; R213-T230 HydrophobicContact CG-CG2 4.21Å; F215-T230 HydrophobicContact CD1-CG2 4.04Å; F215-T230 WeakPolarHBondContact CD1-OG1 3.47Å; F215-T230 HydrophobicContact CE1-CG2 3.72Å; F215-T230 WeakPolarHBondContact CE1-OG1 3.39Å; F215-T230 HydrophobicContact CZ-CG2 4.43Å; L228-T230 PolarHBondContact O-N 3.03Å; T230-H232 PolarHBondContact O-N 2.67Å
231	V	71.8	Confident	57.2	Low	6 Å²	6	93.7 Å²	93.7	4%	0.036	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	104.1	173.1	-174.7	0	0	0	0	109.2	R213 L214 I216 L233 L252 V262 Y264	R213-V231 WeakPolarHBondContact CA-O 3.3Å; L214-V231 HydrophobicContact CB-CB 4.39Å; L214-V231 PolarHBondContact N-O 3.07Å; L214-V231 PolarHBondContact O-N 3.18Å; I216-V231 HydrophobicContact CD1-CG2 4.15Å; V231-L233 HydrophobicContact CG1-CD2 4.02Å; V231-L233 PolarHBondContact O-N 3.23Å; V231-L252 HydrophobicContact CG1-CB 3.97Å; V231-L252 HydrophobicContact CG1-CD1 4.37Å; V231-V262 HydrophobicContact CG2-CG2 4.11Å; V231-Y264 WeakPolarHBondContact CG2-OH 3.11Å
232	H	68	Low	57.5	Low	64 Å²	64	96.3 Å²	96.3	30%	0.296	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	122.1	168.2	-75.1	-98.5	0	0	0	110.5	T230 D234 S254	T230-H232 PolarHBondContact O-N 2.67Å; H232-D234 WeakPolarHBondContact CB-OD1 3.42Å; H232-D234 IonicContact CG-OD1 2.84Å; H232-D234 IonicContact ND1-OD1 2.66Å; H232-S254 VanDerWaalsContact O-CA 3.3Å; H232-S254 WeakPolarHBondContact O-CA 3.39Å
233	L	66.7	Low	58.2	Low	65 Å²	65	88.9 Å²	88.9	34%	0.34	47%	0.473	S	S	.	.	S	Bend	trans	-98.8	-29.2	-177	-52.9	179.4	0	0	0	111.7	L209 N212 L214 V231 K235 G236 L252	L209-L233 HydrophobicContact CD1-CD1 3.54Å; N212-L233 HydrophobicContact CB-CB 4.48Å; N212-L233 WeakPolarHBondContact O-CB 3.46Å; N212-L233 PolarHBondContact O-N 3.22Å; L214-L233 HydrophobicContact CB-CD1 4.42Å; L214-L233 HydrophobicContact CB-CD2 4.41Å; V231-L233 HydrophobicContact CG1-CD2 4.02Å; V231-L233 PolarHBondContact O-N 3.23Å; L233-K235 PolarHBondContact O-N 2.92Å; L233-G236 PolarHBondContact O-N 3.08Å; L233-L252 HydrophobicContact CD2-CD1 3.82Å
234	D	55	Low	58.8	Low	70 Å²	70	86.7 Å²	86.7	37%	0.374	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-47.3	176.5	55.8	-34.4	0	0	0	112.6	N212 H232	N212-D234 HydrophobicContact CB-CB 3.76Å; H232-D234 WeakPolarHBondContact CB-OD1 3.42Å; H232-D234 IonicContact CG-OD1 2.84Å; H232-D234 IonicContact ND1-OD1 2.66Å
235	K	50.7	Low	59.5	Low	110 Å²	110	88 Å²	88	48%	0.478	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	9	-178	-64.8	163.4	-165.5	175.8	0	111.4	L233 S255 P256 E362	L233-K235 PolarHBondContact O-N 2.92Å; K235-S255 WeakPolarHBondContact O-CA 3.32Å; K235-P256 WeakPolarHBondContact O-CD 3.29Å; K235-E362 IonicContact NZ-OE1 3.89Å; K235-E362 PolarHBondContact NZ-OE1 3.34Å
236	G	57.4	Low	60	Low	23 Å²	23	85.4 Å²	85.4	24%	0.237	45%	0.446	C	S	.	.			trans	-98.5	-179.7	-167.4	0	0	0	0	0	116	L233 A253	L233-G236 PolarHBondContact O-N 3.08Å; G236-A253 CarbonylContact C-O 3.52Å; G236-A253 WeakPolarHBondContact CA-O 3.3Å
237	K	58.3	Low	60.3	Low	121 Å²	121	82.1 Å²	82.1	53%	0.526	44%	0.437	S	S	.	.			trans	-132.6	111.7	170.2	-73.2	-177.7	179.1	169.7	0	111.2	A253 P256	K237-A253 PolarHBondContact N-O 3.26Å; K237-A253 PolarHBondContact O-N 3.34Å; K237-P256 HydrophobicContact CD-CB 4.37Å
238	A	63.3	Low	60	Low	69 Å²	69	80.5 Å²	80.5	57%	0.57	43%	0.427	S	S	*	.			trans	-86.7	135.7	169.1	0	0	0	0	0	110.9	L250 K251 L252	A238-L250 HydrophobicContact CB-CD1 4.44Å; A238-K251 CarbonylContact C-O 3.59Å; A238-K251 WeakPolarHBondContact CA-O 3.34Å; A238-L252 HydrophobicContact CB-CD2 3.49Å; A238-L252 VanDerWaalsContact CB-CD2 3.49Å
239	R	63.1	Low	60.1	Low	175 Å²	175	77 Å²	77	66%	0.66	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146	140.3	172.8	-68.5	-172.7	172.4	177.6	-4.9	110.6	A241 K251	R239-A241 PolarHBondContact O-N 3.34Å; R239-K251 PolarHBondContact N-O 2.94Å; R239-K251 WeakPolarHBondContact O-CA 3.42Å; R239-K251 WeakPolarHBondContact O-CB 3.36Å; R239-K251 PolarHBondContact O-N 3.26Å
240	I	53.3	Low	60.1	Low	130 Å²	130	77.9 Å²	77.9	67%	0.667	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	131.6	164	-60.1	172.8	0	0	0	107.8	K248	I240-K248 HydrophobicContact CG2-CB 4.14Å; I240-K248 HydrophobicContact CG2-CG 4.24Å
241	A	58.8	Low	60.3	Low	22 Å²	22	78.3 Å²	78.3	18%	0.182	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	146.1	175.5	0	0	0	0	0	109.4	R239 C249 K251 F263	R239-A241 PolarHBondContact O-N 3.34Å; A241-C249 PolarHBondContact N-O 2.89Å; A241-C249 PolarHBondContact O-N 2.94Å; A241-C249 PolarHBondContact O-SG 2.64Å; A241-K251 HydrophobicContact CB-CB 4.04Å; A241-K251 HydrophobicContact CB-CD 4.5Å; A241-F263 HydrophobicContact CB-CD1 4.36Å; A241-F263 HydrophobicContact CB-CE1 4.11Å
242	I	54.8	Low	60.5	Low	138 Å²	138	78.5 Å²	78.5	71%	0.708	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	127.1	173.1	-58.9	176	0	0	0	108.3	G247	I242-G247 CarbonylContact C-O 3.44Å; I242-G247 WeakPolarHBondContact CA-O 3.49Å
243	S	58.5	Low	60.7	Low	15 Å²	15	76.1 Å²	76.1	11%	0.105	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126	172.3	-178.4	0	0	0	0	109.7	S245 Q246 G247	S243-S245 PolarHBondContact O-N 3.15Å; S243-Q246 PolarHBondContact O-N 2.97Å; S243-G247 PolarHBondContact N-O 3.03Å; S243-G247 PolarHBondContact O-N 3.4Å
244	N	52.2	Low	60.7	Low	176 Å²	176	74 Å²	74	94%	0.941	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-15.9	179.6	-57.4	16.2	0	0	0	114.2
245	S	54.4	Low	61.1	Low	79 Å²	79	72.4 Å²	72.4	55%	0.552	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117	-2.2	179.2	61.2	0	0	0	0	115.3	W202 S243	W202-S245 PolarHBondContact NE1-OG 3.28Å; S243-S245 PolarHBondContact O-N 3.15Å
246	Q	54.1	Low	61.2	Low	77 Å²	77	71.1 Å²	71.1	36%	0.36	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.2	3.8	-176.3	-71.6	-67.7	-86.2	0	0	114.6	W202 S243	W202-Q246 HydrophobicContact CD2-CG 3.97Å; W202-Q246 HydrophobicContact CG-CG 4.14Å; W202-Q246 HydrophobicContact CZ2-CB 3.95Å; W202-Q246 HydrophobicContact CZ2-CG 3.92Å; S243-Q246 PolarHBondContact O-N 2.97Å
247	G	57.3	Low	60.9	Low	37 Å²	37	77.5 Å²	77.5	38%	0.381	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	69.1	-143	-178.6	0	0	0	0	0	112.7	I242 S243 C249	I242-G247 CarbonylContact C-O 3.44Å; I242-G247 WeakPolarHBondContact CA-O 3.49Å; S243-G247 PolarHBondContact N-O 3.03Å; S243-G247 PolarHBondContact O-N 3.4Å; G247-C249 PolarHBondContact O-N 3.41Å
248	K	50.2	Low	60.6	Low	145 Å²	145	80.3 Å²	80.3	63%	0.63	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	125.8	176.2	-69.4	175.1	-177.6	169.9	0	109.8	I240	I240-K248 HydrophobicContact CG2-CB 4.14Å; I240-K248 HydrophobicContact CG2-CG 4.24Å
249	C	68.5	Low	60.1	Low	6 Å²	6	79.3 Å²	79.3	4%	0.041	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.5	177	65	0	0	0	0	110.5	W202 A241 G247 Y264	W202-C249 HydrophobicContact CH2-CB 3.82Å; W202-C249 HydrophobicContact CZ2-CB 4.41Å; A241-C249 PolarHBondContact N-O 2.89Å; A241-C249 PolarHBondContact O-N 2.94Å; A241-C249 PolarHBondContact O-SG 2.64Å; G247-C249 PolarHBondContact O-N 3.41Å; C249-Y264 CarbonylContact C-O 3.46Å; C249-Y264 WeakPolarHBondContact CA-O 3.42Å; C249-Y264 VanDerWaalsContact CB-O 3.3Å; C249-Y264 WeakPolarHBondContact CB-O 3.44Å
250	L	72.2	Confident	59.7	Low	61 Å²	61	74.7 Å²	74.7	32%	0.319	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	117.5	179.1	-170.4	67.4	0	0	0	109.8	A238 L252 F263 Y264	A238-L250 HydrophobicContact CB-CD1 4.44Å; L250-L252 HydrophobicContact CD1-CD2 4.48Å; L250-L252 HydrophobicContact CD2-CD2 3.89Å; L250-L252 HydrophobicContact CD2-CG 4.44Å; L250-L252 HydrophobicContact CG-CD2 3.83Å; L250-L252 HydrophobicContact CG-CG 4.38Å; L250-F263 CarbonylContact O-C 3.46Å; L250-F263 WeakPolarHBondContact O-CA 3.35Å; L250-Y264 PolarHBondContact N-O 2.97Å; L250-Y264 PolarHBondContact O-N 2.95Å
251	K	77	Confident	60.2	Low	56 Å²	56	70.5 Å²	70.5	24%	0.243	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	119.4	175.8	-175.1	-172.6	-178.2	-178.5	0	109.6	A238 R239 A241 V262 F263	A238-K251 CarbonylContact C-O 3.59Å; A238-K251 WeakPolarHBondContact CA-O 3.34Å; R239-K251 PolarHBondContact N-O 2.94Å; R239-K251 WeakPolarHBondContact O-CA 3.42Å; R239-K251 WeakPolarHBondContact O-CB 3.36Å; R239-K251 PolarHBondContact O-N 3.26Å; A241-K251 HydrophobicContact CB-CB 4.04Å; A241-K251 HydrophobicContact CB-CD 4.5Å; K251-V262 CarbonylContact C-O 3.35Å; K251-V262 WeakPolarHBondContact CA-O 3.5Å; K251-F263 HydrophobicContact CB-CD1 3.91Å; K251-F263 HydrophobicContact CB-CE1 4.08Å; K251-F263 HydrophobicContact CD-CD1 4.33Å; K251-F263 HydrophobicContact CD-CE1 3.67Å; K251-F263 HydrophobicContact CD-CZ 3.9Å; K251-F263 HydrophobicContact CG-CD1 3.93Å; K251-F263 HydrophobicContact CG-CE1 3.78Å; K251-F263 HydrophobicContact CG-CG 4.44Å; K251-F263 HydrophobicContact CG-CZ 4.15Å
252	L	77.5	Confident	60.6	Low	9 Å²	9	69.6 Å²	69.6	5%	0.047	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	155	175.6	-52.5	-176.5	0	0	0	110.7	L214 V231 L233 A238 L250 Q261 V262 Y264	L214-L252 HydrophobicContact CD2-CD1 3.73Å; V231-L252 HydrophobicContact CG1-CB 3.97Å; V231-L252 HydrophobicContact CG1-CD1 4.37Å; L233-L252 HydrophobicContact CD2-CD1 3.82Å; A238-L252 HydrophobicContact CB-CD2 3.49Å; A238-L252 VanDerWaalsContact CB-CD2 3.49Å; L250-L252 HydrophobicContact CD1-CD2 4.48Å; L250-L252 HydrophobicContact CD2-CD2 3.89Å; L250-L252 HydrophobicContact CD2-CG 4.44Å; L250-L252 HydrophobicContact CG-CD2 3.83Å; L250-L252 HydrophobicContact CG-CG 4.38Å; L252-Q261 WeakPolarHBondContact O-CA 3.22Å; L252-V262 PolarHBondContact N-O 3.43Å; L252-V262 PolarHBondContact O-N 3.2Å; L252-Y264 HydrophobicContact CB-CE2 4.12Å; L252-Y264 HydrophobicContact CD1-CD2 3.89Å; L252-Y264 HydrophobicContact CD1-CE2 3.5Å; L252-Y264 HydrophobicContact CG-CD2 3.97Å; L252-Y264 HydrophobicContact CG-CE2 3.85Å
253	A	71.6	Confident	61.3	Low	14 Å²	14	64.4 Å²	64.4	12%	0.116	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	138.5	170.5	0	0	0	0	0	107.9	G236 K237 Q261	G236-A253 CarbonylContact C-O 3.52Å; G236-A253 WeakPolarHBondContact CA-O 3.3Å; K237-A253 PolarHBondContact N-O 3.26Å; K237-A253 PolarHBondContact O-N 3.34Å; A253-Q261 HydrophobicContact CB-CG 4.15Å
254	S	66.9	Low	61.8	Low	20 Å²	20	64 Å²	64	14%	0.14	35%	0.349	C	S	.	.	S	Bend	trans	-88	-6.8	-169	31.8	0	0	0	0	116.2	H232 P259	H232-S254 VanDerWaalsContact O-CA 3.3Å; H232-S254 WeakPolarHBondContact O-CA 3.39Å; S254-P259 WeakPolarHBondContact OG-CB 3.2Å
255	S	62.6	Low	62.1	Low	37 Å²	37	57 Å²	57	26%	0.259	31%	0.314	S	S	.	.	S	Bend	trans	-154.7	155.1	163.7	131.9	0	0	0	0	108.4	K235 E257 P259	K235-S255 WeakPolarHBondContact O-CA 3.32Å; S255-E257 PolarHBondContact O-N 2.63Å; S255-E257 PolarHBondContact OG-N 2.83Å; S255-E257 VanDerWaalsContact OG-N 3.13Å; S255-P259 WeakPolarHBondContact O-CD 3.44Å
256	P	52.8	Low	62.1	Low	84 Å²	84	57.7 Å²	57.7	55%	0.545	31%	0.311	S	S	.	.	S	Bend	trans	-67.7	-19.6	176.8	26.8	-33.9	0	0	0	113.9	K235 K237	K235-P256 WeakPolarHBondContact O-CD 3.29Å; K237-P256 HydrophobicContact CD-CB 4.37Å
257	E	51.8	Low	61.4	Low	157 Å²	157	56.9 Å²	56.9	73%	0.734	32%	0.317	S	S	*	.	S	Bend	trans	-102.8	-64.7	-169.8	-65.6	179.3	166.9	0	0	112.3	S255	S255-E257 PolarHBondContact O-N 2.63Å; S255-E257 PolarHBondContact OG-N 2.83Å; S255-E257 VanDerWaalsContact OG-N 3.13Å
258	H	51.4	Low	60.4	Low	179 Å²	179	63.4 Å²	63.4	83%	0.829	34%	0.336	S	S	*	.	S	Bend	trans	-140.5	51.3	-166.4	-63.9	-38.8	0	0	0	118.4
259	P	53.3	Low	59.5	Low	48 Å²	48	59.9 Å²	59.9	31%	0.312	33%	0.326	S	S	.	.	S	Bend	trans	-132.5	172.9	155.4	6.4	18.6	0	0	0	115.4	S254 S255	S254-P259 WeakPolarHBondContact OG-CB 3.2Å; S255-P259 WeakPolarHBondContact O-CD 3.44Å
260	P	54.1	Low	57.9	Low	79 Å²	79	64.4 Å²	64.4	51%	0.513	36%	0.358	S	S	.	.			trans	-70.1	141.1	-171.8	27.6	-35.3	0	0	0	114
261	Q	64	Low	55.9	Low	41 Å²	41	67.3 Å²	67.3	19%	0.192	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	135.5	175.7	-56.4	176.1	-7.8	0	0	110	R196 L252 A253	R196-Q261 HydrophobicContact CB-CB 4.2Å; R196-Q261 WeakPolarHBondContact CB-O 3.39Å; R196-Q261 HydrophobicContact CG-CB 4.37Å; R196-Q261 PolarHBondContact N-O 3.17Å; L252-Q261 WeakPolarHBondContact O-CA 3.22Å; A253-Q261 HydrophobicContact CB-CG 4.15Å
262	V	67.9	Low	53.7	Low	4 Å²	4	69.5 Å²	69.5	2%	0.024	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133	-179.3	-170.5	0	0	0	0	109.4	V193 I216 V231 K251 L252 Y264	V193-V262 HydrophobicContact CG1-CG1 3.41Å; V193-V262 VanDerWaalsContact CG1-CG1 3.41Å; I216-V262 HydrophobicContact CD1-CG1 4.02Å; I216-V262 HydrophobicContact CD1-CG2 4.49Å; V231-V262 HydrophobicContact CG2-CG2 4.11Å; K251-V262 CarbonylContact C-O 3.35Å; K251-V262 WeakPolarHBondContact CA-O 3.5Å; L252-V262 PolarHBondContact N-O 3.43Å; L252-V262 PolarHBondContact O-N 3.2Å; V262-Y264 HydrophobicContact CB-CD2 4.49Å; V262-Y264 HydrophobicContact CB-CE2 3.71Å; V262-Y264 HydrophobicContact CG1-CD2 4.09Å; V262-Y264 HydrophobicContact CG1-CE1 4.39Å; V262-Y264 HydrophobicContact CG1-CE2 3.41Å; V262-Y264 VanDerWaalsContact CG1-CE2 3.41Å
263	F	68	Low	51.4	Low	29 Å²	29	72.2 Å²	72.2	13%	0.127	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	139.4	175.3	-58.8	-102.8	0	0	0	109.7	V193 R194 W202 A241 L250 K251	V193-F263 CarbonylContact C-O 3.38Å; V193-F263 WeakPolarHBondContact CA-O 3.37Å; R194-F263 HydrophobicContact CB-CB 4.43Å; R194-F263 PolarHBondContact N-O 2.92Å; R194-F263 PolarHBondContact O-N 3.34Å; W202-F263 HydrophobicContact CH2-CB 3.57Å; W202-F263 HydrophobicContact CZ2-CB 4.31Å; W202-F263 HydrophobicContact CZ3-CB 4Å; W202-F263 WeakPolarHBondContact CZ3-O 3.33Å; A241-F263 HydrophobicContact CB-CD1 4.36Å; A241-F263 HydrophobicContact CB-CE1 4.11Å; L250-F263 CarbonylContact O-C 3.46Å; L250-F263 WeakPolarHBondContact O-CA 3.35Å; K251-F263 HydrophobicContact CB-CD1 3.91Å; K251-F263 HydrophobicContact CB-CE1 4.08Å; K251-F263 HydrophobicContact CD-CD1 4.33Å; K251-F263 HydrophobicContact CD-CE1 3.67Å; K251-F263 HydrophobicContact CD-CZ 3.9Å; K251-F263 HydrophobicContact CG-CD1 3.93Å; K251-F263 HydrophobicContact CG-CE1 3.78Å; K251-F263 HydrophobicContact CG-CG 4.44Å; K251-F263 HydrophobicContact CG-CZ 4.15Å
264	Y	70.3	Confident	49.4	Very low	6 Å²	6	80.1 Å²	80.1	2%	0.024	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.5	-178.6	-63.5	-99.7	0	0	0	110.8	L192 V193 L214 I216 V231 C249 L250 L252 V262	L192-Y264 CarbonylContact O-C 3.48Å; L192-Y264 VanDerWaalsContact O-CA 3.3Å; L192-Y264 WeakPolarHBondContact O-CA 3.36Å; V193-Y264 HydrophobicContact CB-CD1 4.47Å; V193-Y264 HydrophobicContact CG1-CD1 4.23Å; V193-Y264 HydrophobicContact CG1-CE1 3.95Å; V193-Y264 HydrophobicContact CG2-CD1 3.65Å; V193-Y264 HydrophobicContact CG2-CE1 3.77Å; L214-Y264 HydrophobicContact CD2-CD1 4.2Å; L214-Y264 HydrophobicContact CD2-CE1 3.56Å; L214-Y264 HydrophobicContact CD2-CE2 4.09Å; L214-Y264 VanDerWaalsContact CD2-CZ 3.47Å; L214-Y264 HydrophobicContact CG-CE1 4.3Å; I216-Y264 HydrophobicContact CD1-CE1 4.42Å; I216-Y264 WeakPolarHBondContact CD1-OH 3.02Å; I216-Y264 WeakPolarHBondContact CG1-OH 3.23Å; V231-Y264 WeakPolarHBondContact CG2-OH 3.11Å; C249-Y264 CarbonylContact C-O 3.46Å; C249-Y264 WeakPolarHBondContact CA-O 3.42Å; C249-Y264 VanDerWaalsContact CB-O 3.3Å; C249-Y264 WeakPolarHBondContact CB-O 3.44Å; L250-Y264 PolarHBondContact N-O 2.97Å; L250-Y264 PolarHBondContact O-N 2.95Å; L252-Y264 HydrophobicContact CB-CE2 4.12Å; L252-Y264 HydrophobicContact CD1-CD2 3.89Å; L252-Y264 HydrophobicContact CD1-CE2 3.5Å; L252-Y264 HydrophobicContact CG-CD2 3.97Å; L252-Y264 HydrophobicContact CG-CE2 3.85Å; V262-Y264 HydrophobicContact CB-CD2 4.49Å; V262-Y264 HydrophobicContact CB-CE2 3.71Å; V262-Y264 HydrophobicContact CG1-CD2 4.09Å; V262-Y264 HydrophobicContact CG1-CE1 4.39Å; V262-Y264 HydrophobicContact CG1-CE2 3.41Å; V262-Y264 VanDerWaalsContact CG1-CE2 3.41Å
265	S	59.2	Low	47.6	Very low	28 Å²	28	85.9 Å²	85.9	20%	0.196	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123.6	160	174	0	0	0	0	108.3	L192	L192-S265 PolarHBondContact N-O 3.4Å; L192-S265 VanDerWaalsContact N-O 3.12Å; L192-S265 PolarHBondContact O-N 2.95Å
266	L	52.3	Low	46.1	Very low	94 Å²	94	88.6 Å²	88.6	49%	0.492	49%	0.49	S	S	.	.			trans	-93.1	114.6	-179.2	-71.6	171.5	0	0	0	109.2	C191	C191-L266 HydrophobicContact CB-CD2 4.46Å
267	A	41.3	Very low	45.5	Very low	60 Å²	60	90.2 Å²	90.2	50%	0.496	49%	0.492	S	S	.	.			trans	-119.8	120.4	161.8	0	0	0	0	0	106.8	T269	A267-T269 PolarHBondContact O-N 3.02Å
268	F	35	Very low	45.3	Very low	175 Å²	175	86.4 Å²	86.4	77%	0.768	48%	0.476	S	S	*	.			trans	-78.3	95.7	-173.1	-68.6	-77	0	0	0	111.3
269	T	32.6	Very low	45.4	Very low	70 Å²	70	84.1 Å²	84.1	43%	0.429	47%	0.47	S	S	.	.			trans	-125.3	100.1	158.4	59.6	0	0	0	0	108.1	R204 A267	R204-T269 PolarHBondContact NH2-OG1 2.82Å; A267-T269 PolarHBondContact O-N 3.02Å
270	S	33.3	Very low	46.1	Very low	101 Å²	101	85.1 Å²	85.1	71%	0.706	47%	0.473	S	S	*	.			trans	-83.3	112.6	174.8	55.6	0	0	0	0	110.1
271	E	30.1	Very low	47	Very low	123 Å²	123	83 Å²	83	58%	0.575	46%	0.457	S	S	*	.			trans	-96.6	128.1	161.6	-69.9	-178.7	138.5	0	0	107.5	H190 C273	H190-E271 IonicContact CD2-OE2 3.15Å; E271-C273 PolarHBondContact O-N 3.07Å
272	V	32.1	Very low	47.8	Very low	102 Å²	102	82.9 Å²	82.9	62%	0.618	46%	0.455	S	S	*	.			trans	-75.6	105.8	-179.8	178.7	0	0	0	0	108.6	A185	A185-V272 HydrophobicContact CB-CG1 4.42Å
273	C	29.2	Very low	48.1	Very low	66 Å²	66	84.1 Å²	84.1	45%	0.446	46%	0.464	S	S	.	.			trans	-75.7	127.8	167.3	-91.7	0	0	0	0	110.9	Y206 E271 N275	Y206-C273 VanDerWaalsContact CZ-SG 3.6Å; Y206-C273 WeakPolarHBondContact OH-CB 3.09Å; Y206-C273 PolarHBondContact OH-SG 3.21Å; E271-C273 PolarHBondContact O-N 3.07Å; C273-N275 PolarHBondContact O-N 2.98Å
274	E	28.7	Very low	48.3	Very low	179 Å²	179	84.9 Å²	84.9	84%	0.836	47%	0.469	S	S	*	.			trans	-70.6	123.1	164.3	-63.3	179.7	139.3	0	0	110.1	S276	E274-S276 PolarHBondContact O-N 3.42Å
275	N	28.8	Very low	48.5	Very low	141 Å²	141	88 Å²	88	75%	0.754	49%	0.485	S	S	*	.			trans	42.7	68.1	154.2	-61.8	-13.8	0	0	0	118.1	C273 I277	C273-N275 PolarHBondContact O-N 2.98Å; N275-I277 HydrophobicContact CB-CG1 4.32Å
276	S	32.2	Very low	49.2	Very low	95 Å²	95	87.7 Å²	87.7	66%	0.664	48%	0.48	S	S	*	.			trans	-93	72.6	148.3	177.4	0	0	0	0	109.2	E274 L278	E274-S276 PolarHBondContact O-N 3.42Å; S276-L278 PolarHBondContact O-N 3.47Å; S276-L278 VanDerWaalsContact O-N 3.17Å
277	I	38.9	Very low	50.4	Low	118 Å²	118	83.9 Å²	83.9	61%	0.605	46%	0.46	S	S	*	.			trans	-62	116.2	-178.5	-61.5	171	0	0	0	109.2	N275 L279	N275-I277 HydrophobicContact CB-CG1 4.32Å; I277-L279 PolarHBondContact O-N 2.93Å
278	L	49.7	Very low	52.3	Low	76 Å²	76	82.5 Å²	82.5	40%	0.398	44%	0.443	S	S	.	.			trans	-69.7	112.8	157.9	-71.8	166	0	0	0	106	F215 S276 D280 D281	F215-L278 HydrophobicContact CE2-CD1 4.03Å; F215-L278 HydrophobicContact CZ-CD1 4.38Å; F215-L278 HydrophobicContact CZ-CD2 4.45Å; S276-L278 PolarHBondContact O-N 3.47Å; S276-L278 VanDerWaalsContact O-N 3.17Å; L278-D280 PolarHBondContact O-N 3.3Å; L278-D281 HydrophobicContact CB-CB 3.87Å; L278-D281 PolarHBondContact O-N 3.01Å; L278-D281 VanDerWaalsContact O-N 3.09Å
279	L	51.8	Low	54.6	Low	131 Å²	131	76.7 Å²	76.7	69%	0.686	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-18.9	-169.1	-90.5	149.5	0	0	0	114.9	I277 Y282	I277-L279 PolarHBondContact O-N 2.93Å; L279-Y282 VanDerWaalsContact O-CE2 3.23Å; L279-Y282 WeakPolarHBondContact O-CE2 3.36Å; L279-Y282 PolarHBondContact O-OH 3.46Å
280	D	68.3	Low	57.3	Low	70 Å²	70	73.3 Å²	73.3	37%	0.374	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	8.7	-174.9	-31.1	-45.7	0	0	0	113.1	L278 L303 K305 N307	L278-D280 PolarHBondContact O-N 3.3Å; D280-L303 HydrophobicContact CB-CD1 4.02Å; D280-L303 WeakPolarHBondContact OD1-CD1 3.4Å; D280-K305 VanDerWaalsContact CB-O 3.28Å; D280-K305 WeakPolarHBondContact CB-O 3.48Å; D280-N307 PolarHBondContact O-N 2.9Å
281	D	73	Confident	59.7	Low	34 Å²	34	69.6 Å²	69.6	18%	0.182	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-111.4	108.1	-179.5	-159.4	-14.6	0	0	0	111.6	S210 Q211 L278 S283 N307	S210-D281 PolarHBondContact OG-OD2 2.95Å; Q211-D281 VanDerWaalsContact NE2-CG 3.32Å; Q211-D281 PolarHBondContact NE2-OD2 3.49Å; L278-D281 HydrophobicContact CB-CB 3.87Å; L278-D281 PolarHBondContact O-N 3.01Å; L278-D281 VanDerWaalsContact O-N 3.09Å; D281-S283 PolarHBondContact OD1-N 3.2Å; D281-N307 WeakPolarHBondContact OD1-CB 3.2Å; D281-N307 PolarHBondContact OD1-ND2 3.1Å
282	Y	80.2	Confident	62.2	Low	38 Å²	38	67.3 Å²	67.3	15%	0.149	37%	0.367	C	S	.	.			trans	-123.6	27.5	-176.9	-64.4	-95.8	0	0	0	112.1	L279 M285 M287 P291 L294 L306 N307 N311	L279-Y282 VanDerWaalsContact O-CE2 3.23Å; L279-Y282 WeakPolarHBondContact O-CE2 3.36Å; L279-Y282 PolarHBondContact O-OH 3.46Å; Y282-M285 WeakPolarHBondContact O-CB 3.39Å; Y282-M285 VanDerWaalsContact O-CG 3.3Å; Y282-M285 WeakPolarHBondContact O-CG 3.39Å; Y282-M287 HydrophobicContact CD1-SD 4.38Å; Y282-M287 HydrophobicContact CG-CE 4.41Å; Y282-P291 HydrophobicContact CD1-CG 3.81Å; Y282-P291 HydrophobicContact CE1-CB 4.36Å; Y282-P291 HydrophobicContact CE1-CG 3.72Å; Y282-L294 HydrophobicContact CD2-CD1 4.31Å; Y282-L294 HydrophobicContact CE2-CD1 3.81Å; Y282-L294 HydrophobicContact CE2-CD2 3.92Å; Y282-L294 HydrophobicContact CE2-CG 4.22Å; Y282-L306 HydrophobicContact CD2-CD1 3.94Å; Y282-L306 HydrophobicContact CE2-CD1 4.4Å; Y282-N307 CarbonylContact C-O 3.21Å; Y282-N307 WeakPolarHBondContact CA-O 3.36Å; Y282-N307 PolarHBondContact N-O 3.36Å; Y282-N311 PolarHBondContact O-ND2 3.09Å
283	S	75.7	Confident	64.6	Low	31 Å²	31	67.6 Å²	67.6	22%	0.217	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	150.7	176.9	67.6	0	0	0	0	113.8	D281 M285 N307 H309	D281-S283 PolarHBondContact OD1-N 3.2Å; S283-M285 PolarHBondContact O-N 3.2Å; S283-N307 VanDerWaalsContact CB-ND2 3.31Å; S283-N307 WeakPolarHBondContact CB-ND2 3.18Å; S283-N307 PolarHBondContact OG-ND2 2.94Å; S283-H309 CarbonylContact C-O 3.57Å; S283-H309 WeakPolarHBondContact CA-O 3.4Å; S283-H309 VanDerWaalsContact CB-O 3.22Å; S283-H309 WeakPolarHBondContact CB-O 3.15Å
284	D	71.3	Confident	67.2	Low	45 Å²	45	64.6 Å²	64.6	24%	0.241	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	16	178.4	-50.5	-69.6	0	0	0	114	H126 R184 Q286 H309 G310	H126-D284 IonicContact CE1-OD1 2.69Å; H126-D284 IonicContact NE2-OD1 3.19Å; R184-D284 PolarHBondContact NE-O 2.99Å; R184-D284 PolarHBondContact NH2-O 3.41Å; D284-Q286 PolarHBondContact O-N 2.85Å; D284-H309 PolarHBondContact N-O 3.31Å; D284-G310 WeakPolarHBondContact CA-O 3.37Å
285	M	74.5	Confident	70	Confident	70 Å²	70	58 Å²	58	35%	0.345	31%	0.309	S	S	.	.	S	Bend	trans	-78.1	-6.6	-179.5	-68.6	-65.4	-85.2	0	0	113.2	R184 Y282 S283 M287 N311	R184-M285 PolarHBondContact NH1-SD 2.91Å; R184-M285 PolarHBondContact NH2-O 3.03Å; Y282-M285 WeakPolarHBondContact O-CB 3.39Å; Y282-M285 VanDerWaalsContact O-CG 3.3Å; Y282-M285 WeakPolarHBondContact O-CG 3.39Å; S283-M285 PolarHBondContact O-N 3.2Å; M285-M287 HydrophobicContact CB-CE 4.34Å; M285-M287 HydrophobicContact CB-CG 3.68Å; M285-M287 HydrophobicContact CB-SD 3.89Å; M285-N311 PolarHBondContact N-OD1 2.93Å
286	Q	73.5	Confident	72.5	Confident	22 Å²	22	58.2 Å²	58.2	10%	0.103	30%	0.3	C	S	.	.			trans	56.9	50.7	175	-62.3	164.3	35.9	0	0	111.9	H126 L128 R175 L179 D284 N311	H126-Q286 PolarHBondContact O-NE2 3.06Å; H126-Q286 VanDerWaalsContact O-NE2 3.08Å; H126-Q286 PolarHBondContact O-OE1 3.06Å; L128-Q286 HydrophobicContact CB-CB 4.31Å; L128-Q286 HydrophobicContact CB-CG 4.39Å; R175-Q286 PolarHBondContact NH2-O 3.24Å; L179-Q286 HydrophobicContact CD1-CB 4.42Å; D284-Q286 PolarHBondContact O-N 2.85Å; Q286-N311 PolarHBondContact N-OD1 2.92Å
287	M	78.8	Confident	74.9	Confident	15 Å²	15	57.1 Å²	57.1	7%	0.074	30%	0.304	C	S	.	.			trans	-95.3	132.9	-176.1	-55	-171.9	-58.1	0	0	111.6	Y282 M285 T289 P291 L308 N311 S312 L313	Y282-M287 HydrophobicContact CD1-SD 4.38Å; Y282-M287 HydrophobicContact CG-CE 4.41Å; M285-M287 HydrophobicContact CB-CE 4.34Å; M285-M287 HydrophobicContact CB-CG 3.68Å; M285-M287 HydrophobicContact CB-SD 3.89Å; M287-T289 WeakPolarHBondContact CB-O 3.22Å; M287-P291 HydrophobicContact CE-CG 4.4Å; M287-P291 HydrophobicContact SD-CG 3.62Å; M287-L308 HydrophobicContact CE-CD2 3.53Å; M287-N311 WeakPolarHBondContact CB-OD1 3.22Å; M287-N311 WeakPolarHBondContact CG-OD1 3.36Å; M287-N311 PolarHBondContact N-OD1 3.43Å; M287-S312 CarbonylContact O-C 3.41Å; M287-S312 VanDerWaalsContact O-C 3.31Å; M287-S312 WeakPolarHBondContact O-CA 3.29Å; M287-S312 PolarHBondContact O-N 3.34Å; M287-L313 HydrophobicContact CB-CD2 4.07Å; M287-L313 PolarHBondContact O-N 2.63Å
288	E	80.1	Confident	76.8	Confident	30 Å²	30	55.2 Å²	55.2	14%	0.14	30%	0.295	C	S	.	.	S	Bend	trans	-85.6	-22.8	166.3	-58.4	-156.3	125	0	0	112.2	R130 L313 R314	R130-E288 WeakPolarHBondContact CB-OE1 3.34Å; R130-E288 VanDerWaalsContact CD-OE1 3.28Å; R130-E288 WeakPolarHBondContact CD-OE1 3.41Å; R130-E288 WeakPolarHBondContact CD-OE2 2.61Å; R130-E288 IonicContact CZ-OE2 3.53Å; R130-E288 IonicContact NE-OE2 2.71Å; R130-E288 IonicContact NH1-OE2 2.68Å; R130-E288 PolarHBondContact NH1-OE2 3.48Å; E288-L313 WeakPolarHBondContact O-CA 3.32Å; E288-R314 PolarHBondContact O-N 3.32Å; E288-R314 IonicContact OE1-CZ 3.15Å; E288-R314 IonicContact OE1-NH1 2.82Å; E288-R314 IonicContact OE1-NH2 2.72Å; E288-R314 PolarHBondContact OE1-NH2 3.14Å
289	T	85	Confident	78.1	Confident	53 Å²	53	55 Å²	55	33%	0.325	29%	0.294	S	S	.	.	S	Bend	trans	-136.3	147.7	179.3	53.4	0	0	0	0	110.8	M287 L313 G326 W327	M287-T289 WeakPolarHBondContact CB-O 3.22Å; T289-L313 VanDerWaalsContact C-CD2 3.46Å; T289-G326 CarbonylContact C-O 3.6Å; T289-G326 WeakPolarHBondContact CA-O 3.33Å; T289-G326 VanDerWaalsContact CB-O 3.26Å; T289-G326 WeakPolarHBondContact CB-O 3.44Å; T289-W327 HydrophobicContact CG2-CD2 4.36Å; T289-W327 HydrophobicContact CG2-CE3 4.28Å; T289-W327 HydrophobicContact CG2-CH2 4.32Å; T289-W327 HydrophobicContact CG2-CZ2 4.4Å; T289-W327 HydrophobicContact CG2-CZ3 4.25Å
290	I	88	Confident	79.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.267	C	S	.	.			trans	-63.3	138.5	172.9	-59.1	164.2	0	0	0	108.8	D292 L294 F295 L308 L313 G326 L331	I290-D292 PolarHBondContact O-N 3.16Å; I290-L294 HydrophobicContact CG2-CD1 3.85Å; I290-F295 HydrophobicContact CB-CE2 3.97Å; I290-F295 HydrophobicContact CB-CZ 4.1Å; I290-F295 HydrophobicContact CG2-CE2 3.71Å; I290-F295 HydrophobicContact CG2-CZ 3.93Å; I290-L308 HydrophobicContact CD1-CD1 4.37Å; I290-L308 HydrophobicContact CG1-CD1 4.19Å; I290-L313 HydrophobicContact CG1-CD1 4.11Å; I290-L313 HydrophobicContact CG1-CD2 4.14Å; I290-G326 PolarHBondContact N-O 3.37Å; I290-G326 WeakPolarHBondContact O-CA 3.21Å; I290-L331 HydrophobicContact CD1-CD1 4.21Å; I290-L331 HydrophobicContact CD1-CD2 3.55Å; I290-L331 HydrophobicContact CD1-CG 3.56Å
291	P	84.2	Confident	80.2	Confident	22 Å²	22	52.9 Å²	52.9	14%	0.143	28%	0.278	C	S	.	.			trans	-59.1	133.4	-177.2	-27.2	36	0	0	0	114.3	Y282 M287 E293 L294 F295	Y282-P291 HydrophobicContact CD1-CG 3.81Å; Y282-P291 HydrophobicContact CE1-CB 4.36Å; Y282-P291 HydrophobicContact CE1-CG 3.72Å; M287-P291 HydrophobicContact CE-CG 4.4Å; M287-P291 HydrophobicContact SD-CG 3.62Å; P291-E293 WeakPolarHBondContact CB-OE2 2.68Å; P291-E293 PolarHBondContact O-N 3.36Å; P291-E293 VanDerWaalsContact O-N 3.15Å; P291-L294 WeakPolarHBondContact O-CB 3.44Å; P291-L294 PolarHBondContact O-N 3.2Å; P291-L294 VanDerWaalsContact O-N 3.1Å; P291-F295 WeakPolarHBondContact O-CD2 3.26Å
292	D	82	Confident	80.6	Confident	76 Å²	76	57.8 Å²	57.8	41%	0.406	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-51.9	-34.4	177	-104.3	28.8	0	0	0	113.1	I290 L294 F295 R296	I290-D292 PolarHBondContact O-N 3.16Å; D292-L294 PolarHBondContact O-N 2.91Å; D292-F295 PolarHBondContact O-N 3.1Å; D292-F295 VanDerWaalsContact O-N 3.12Å; D292-R296 WeakPolarHBondContact O-CG 3.33Å; D292-R296 IonicContact OD2-CZ 3.24Å; D292-R296 IonicContact OD2-NH2 2.78Å; D292-R296 PolarHBondContact OD2-NH2 2.97Å
293	E	82	Confident	80.9	Confident	107 Å²	107	56.4 Å²	56.4	50%	0.5	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-61.8	-30.4	-178.4	-64.8	72.8	-159.2	0	0	112.6	P291 F295 R296 N299	P291-E293 WeakPolarHBondContact CB-OE2 2.68Å; P291-E293 PolarHBondContact O-N 3.36Å; P291-E293 VanDerWaalsContact O-N 3.15Å; E293-F295 VanDerWaalsContact C-N 3.27Å; E293-F295 PolarHBondContact O-N 2.92Å; E293-R296 PolarHBondContact O-N 3.18Å; E293-N299 PolarHBondContact O-ND2 3.28Å
294	L	85.6	Confident	81.4	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.021	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-70.2	-24.9	177.8	-66.8	177	0	0	0	112.3	Y282 I290 P291 D292 N299 P300 L303 L306 F334	Y282-L294 HydrophobicContact CD2-CD1 4.31Å; Y282-L294 HydrophobicContact CE2-CD1 3.81Å; Y282-L294 HydrophobicContact CE2-CD2 3.92Å; Y282-L294 HydrophobicContact CE2-CG 4.22Å; I290-L294 HydrophobicContact CG2-CD1 3.85Å; P291-L294 WeakPolarHBondContact O-CB 3.44Å; P291-L294 PolarHBondContact O-N 3.2Å; P291-L294 VanDerWaalsContact O-N 3.1Å; D292-L294 PolarHBondContact O-N 2.91Å; L294-N299 VanDerWaalsContact O-CB 3.24Å; L294-N299 WeakPolarHBondContact O-CB 3.33Å; L294-P300 VanDerWaalsContact O-CD 3.31Å; L294-P300 WeakPolarHBondContact O-CD 3.48Å; L294-P300 WeakPolarHBondContact O-CG 3.46Å; L294-L303 HydrophobicContact CD2-CD1 4.13Å; L294-L303 HydrophobicContact CD2-CD2 4.34Å; L294-L306 HydrophobicContact CD1-CD1 4.14Å; L294-F334 HydrophobicContact CB-CE1 3.94Å; L294-F334 HydrophobicContact CB-CZ 3.71Å; L294-F334 VanDerWaalsContact O-CE1 3.32Å; L294-F334 WeakPolarHBondContact O-CE1 3.3Å
295	F	85.9	Confident	82	Confident	39 Å²	39	58.7 Å²	58.7	17%	0.171	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-86.6	-6.6	178.2	-58.5	-87.7	0	0	0	113.3	I290 P291 D292 E293 A325 D330 C333 F334	I290-F295 HydrophobicContact CB-CE2 3.97Å; I290-F295 HydrophobicContact CB-CZ 4.1Å; I290-F295 HydrophobicContact CG2-CE2 3.71Å; I290-F295 HydrophobicContact CG2-CZ 3.93Å; P291-F295 WeakPolarHBondContact O-CD2 3.26Å; D292-F295 PolarHBondContact O-N 3.1Å; D292-F295 VanDerWaalsContact O-N 3.12Å; E293-F295 VanDerWaalsContact C-N 3.27Å; E293-F295 PolarHBondContact O-N 2.92Å; F295-A325 HydrophobicContact CD1-CB 4.43Å; F295-A325 HydrophobicContact CD2-CB 4.27Å; F295-A325 HydrophobicContact CG-CB 4.23Å; F295-D330 HydrophobicContact CE1-CB 3.69Å; F295-D330 HydrophobicContact CZ-CB 4.05Å; F295-C333 HydrophobicContact CD1-CB 4.41Å; F295-F334 HydrophobicContact CD1-CE2 4.08Å; F295-F334 HydrophobicContact CD1-CZ 4.03Å; F295-F334 AromaticContact CE1-CE2 3.57Å; F295-F334 HydrophobicContact CE1-CE2 3.57Å; F295-F334 AromaticContact CE1-CZ 3.92Å; F295-F334 HydrophobicContact CE1-CZ 3.92Å; F295-F334 HydrophobicContact CG-CZ 4.4Å; F295-F334 AromaticContact CZ-CE2 3.89Å; F295-F334 HydrophobicContact CZ-CE2 3.89Å; F295-F334 HydrophobicContact CZ-CZ 4.19Å
296	R	82.2	Confident	82.7	Confident	146 Å²	146	55.6 Å²	55.6	55%	0.551	29%	0.289	S	S	*	.	S	Bend	trans	-93.4	140.5	-173.4	-66.8	173.4	-166.6	-164.5	3.2	112.4	D292 E293 N299	D292-R296 WeakPolarHBondContact O-CG 3.33Å; D292-R296 IonicContact OD2-CZ 3.24Å; D292-R296 IonicContact OD2-NH2 2.78Å; D292-R296 PolarHBondContact OD2-NH2 2.97Å; E293-R296 PolarHBondContact O-N 3.18Å; R296-N299 WeakPolarHBondContact O-CB 3.49Å; R296-N299 PolarHBondContact O-N 3.37Å
297	G	82	Confident	83.1	Confident	73 Å²	73	54.8 Å²	54.8	75%	0.753	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	-137.9	176.4	0	0	0	0	0	113.2	N299	G297-N299 VanDerWaalsContact C-N 3.31Å; G297-N299 PolarHBondContact O-N 3.5Å
298	D	80	Confident	83.5	Confident	78 Å²	78	54.1 Å²	54.1	42%	0.417	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-1.9	178.8	-70.3	-35.6	0	0	0	114.2	P300 K301 K302	D298-P300 VanDerWaalsContact C-N 3.33Å; D298-K301 WeakPolarHBondContact O-CA 3.35Å; D298-K301 WeakPolarHBondContact O-CB 3.2Å; D298-K301 PolarHBondContact O-N 2.77Å; D298-K302 HydrophobicContact CB-CD 3.65Å; D298-K302 HydrophobicContact CB-CG 4.29Å; D298-K302 VanDerWaalsContact CB-NZ 3.29Å; D298-K302 PolarHBondContact O-N 3.09Å; D298-K302 VanDerWaalsContact O-N 3.15Å; D298-K302 IonicContact OD2-NZ 3.75Å; D298-K302 PolarHBondContact OD2-NZ 2.61Å
299	N	76.9	Confident	83.7	Confident	71 Å²	71	55 Å²	55	38%	0.38	29%	0.286	S	S	.	.	H	α-helix	trans	-53	-43.6	-173.3	-70.8	-11.6	0	0	0	112.7	E293 L294 R296 G297 K301 K302 L303	E293-N299 PolarHBondContact O-ND2 3.28Å; L294-N299 VanDerWaalsContact O-CB 3.24Å; L294-N299 WeakPolarHBondContact O-CB 3.33Å; R296-N299 WeakPolarHBondContact O-CB 3.49Å; R296-N299 PolarHBondContact O-N 3.37Å; G297-N299 VanDerWaalsContact C-N 3.31Å; G297-N299 PolarHBondContact O-N 3.5Å; N299-K301 PolarHBondContact O-N 3.29Å; N299-K301 VanDerWaalsContact O-N 3.09Å; N299-K302 PolarHBondContact O-N 3.01Å; N299-L303 WeakPolarHBondContact O-CB 3.49Å; N299-L303 PolarHBondContact O-N 2.88Å
300	P	81.5	Confident	83.4	Confident	18 Å²	18	53.1 Å²	53.1	12%	0.117	28%	0.277	C	S	.	.	H	α-helix	trans	-62.3	-18.5	175.5	-23.5	35.4	0	0	0	115.7	L294 D298 C333 F334	L294-P300 VanDerWaalsContact O-CD 3.31Å; L294-P300 WeakPolarHBondContact O-CD 3.48Å; L294-P300 WeakPolarHBondContact O-CG 3.46Å; D298-P300 VanDerWaalsContact C-N 3.33Å; P300-C333 HydrophobicContact CB-CB 4.48Å; P300-C333 WeakPolarHBondContact CB-O 3.46Å; P300-F334 HydrophobicContact CB-CD1 4.15Å; P300-F334 HydrophobicContact CB-CE1 4.26Å; P300-F334 HydrophobicContact CG-CE1 4.25Å
301	K	83	Confident	83.2	Confident	138 Å²	138	53.4 Å²	53.4	60%	0.6	28%	0.279	S	S	*	.	H	α-helix	trans	-96.4	-13	177.5	-58.3	178.4	-175.3	169.7	0	113.7	D298 N299 Y336	D298-K301 WeakPolarHBondContact O-CA 3.35Å; D298-K301 WeakPolarHBondContact O-CB 3.2Å; D298-K301 PolarHBondContact O-N 2.77Å; N299-K301 PolarHBondContact O-N 3.29Å; N299-K301 VanDerWaalsContact O-N 3.09Å; K301-Y336 HydrophobicContact CB-CD2 4.35Å; K301-Y336 HydrophobicContact CB-CE2 4.18Å; K301-Y336 HydrophobicContact CG-CE2 4.26Å
302	K	81.5	Confident	83.2	Confident	138 Å²	138	53.9 Å²	53.9	60%	0.6	28%	0.282	S	S	*	.	H	α-helix	trans	-108.7	-26.6	-175.7	-72.3	168.8	175.2	161.5	0	112.6	D298 N299 S304	D298-K302 HydrophobicContact CB-CD 3.65Å; D298-K302 HydrophobicContact CB-CG 4.29Å; D298-K302 VanDerWaalsContact CB-NZ 3.29Å; D298-K302 PolarHBondContact O-N 3.09Å; D298-K302 VanDerWaalsContact O-N 3.15Å; D298-K302 IonicContact OD2-NZ 3.75Å; D298-K302 PolarHBondContact OD2-NZ 2.61Å; N299-K302 PolarHBondContact O-N 3.01Å; K302-S304 PolarHBondContact O-N 3.41Å; K302-S304 VanDerWaalsContact O-N 3.12Å
303	L	85.3	Confident	83.5	Confident	9 Å²	9	50.4 Å²	50.4	5%	0.047	26%	0.264	C	S	.	.			trans	-70.6	103.5	-177.7	-150.7	79.9	0	0	0	111.3	D280 L294 N299 L306 F334 L337	D280-L303 HydrophobicContact CB-CD1 4.02Å; D280-L303 WeakPolarHBondContact OD1-CD1 3.4Å; L294-L303 HydrophobicContact CD2-CD1 4.13Å; L294-L303 HydrophobicContact CD2-CD2 4.34Å; N299-L303 WeakPolarHBondContact O-CB 3.49Å; N299-L303 PolarHBondContact O-N 2.88Å; L303-L306 HydrophobicContact CD2-CB 3.98Å; L303-L306 HydrophobicContact CD2-CD1 4.21Å; L303-L306 HydrophobicContact CD2-CD2 3.85Å; L303-L306 HydrophobicContact CD2-CG 4.22Å; L303-F334 HydrophobicContact CB-CD1 4.07Å; L303-F334 HydrophobicContact CD2-CD1 3.66Å; L303-F334 HydrophobicContact CD2-CE1 3.83Å; L303-F334 HydrophobicContact CD2-CG 4.46Å; L303-L337 HydrophobicContact CD2-CD1 4.46Å
304	S	85.6	Confident	83.6	Confident	59 Å²	59	50.5 Å²	50.5	41%	0.413	26%	0.259	S	S	.	.			trans	-97.9	-19	-178.8	63.6	0	0	0	0	113.9	K302 T338 A339	K302-S304 PolarHBondContact O-N 3.41Å; K302-S304 VanDerWaalsContact O-N 3.12Å; S304-T338 WeakPolarHBondContact O-CA 3.42Å; S304-T338 WeakPolarHBondContact O-CB 3.24Å; S304-T338 PolarHBondContact O-N 3.2Å; S304-T338 PolarHBondContact O-OG1 3.38Å; S304-A339 PolarHBondContact O-N 2.95Å
305	K	84.8	Confident	83.6	Confident	64 Å²	64	53.4 Å²	53.4	28%	0.278	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	149.2	173.4	-58.5	-165.4	175.6	-83.9	0	109	D280 A339 E362	D280-K305 VanDerWaalsContact CB-O 3.28Å; D280-K305 WeakPolarHBondContact CB-O 3.48Å; K305-A339 CarbonylContact C-O 3.57Å; K305-A339 VanDerWaalsContact CA-O 3.3Å; K305-A339 WeakPolarHBondContact CA-O 3.22Å; K305-A339 HydrophobicContact CB-CB 4.03Å; K305-A339 HydrophobicContact CD-CB 3.86Å; K305-A339 HydrophobicContact CG-CB 3.68Å; K305-E362 IonicContact NZ-OE2 2.92Å; K305-E362 PolarHBondContact NZ-OE2 3.29Å
306	L	88.2	Confident	83.6	Confident	6 Å²	6	54.5 Å²	54.5	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	125.7	-179.6	176.8	54.4	0	0	0	110.7	Y282 L294 L303 L308 L331 L337 A339 L340 N341	Y282-L306 HydrophobicContact CD2-CD1 3.94Å; Y282-L306 HydrophobicContact CE2-CD1 4.4Å; L294-L306 HydrophobicContact CD1-CD1 4.14Å; L303-L306 HydrophobicContact CD2-CB 3.98Å; L303-L306 HydrophobicContact CD2-CD1 4.21Å; L303-L306 HydrophobicContact CD2-CD2 3.85Å; L303-L306 HydrophobicContact CD2-CG 4.22Å; L306-L308 HydrophobicContact CD1-CD2 4.23Å; L306-L308 HydrophobicContact CD1-CG 4.12Å; L306-L308 HydrophobicContact CD2-CD1 3.8Å; L306-L308 HydrophobicContact CD2-CG 4.24Å; L306-L308 HydrophobicContact CG-CD1 3.99Å; L306-L308 HydrophobicContact CG-CG 3.92Å; L306-L331 HydrophobicContact CD2-CD2 4.29Å; L306-L337 HydrophobicContact CB-CD1 3.7Å; L306-L337 HydrophobicContact CB-CD2 4.33Å; L306-A339 PolarHBondContact N-O 2.92Å; L306-L340 HydrophobicContact CB-CD1 4.4Å; L306-L340 HydrophobicContact CD2-CD1 4.45Å; L306-L340 HydrophobicContact CG-CD1 4.39Å; L306-L340 WeakPolarHBondContact O-CA 3.41Å; L306-N341 PolarHBondContact O-N 2.85Å; L306-N341 VanDerWaalsContact O-N 3.1Å
307	N	81.8	Confident	83.6	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.027	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	121.3	174.4	-174.6	30.6	0	0	0	111	Q211 D280 D281 Y282 S283 H309 N341	Q211-N307 WeakPolarHBondContact CG-ND2 3.34Å; Q211-N307 PolarHBondContact NE2-ND2 2.76Å; D280-N307 PolarHBondContact O-N 2.9Å; D281-N307 WeakPolarHBondContact OD1-CB 3.2Å; D281-N307 PolarHBondContact OD1-ND2 3.1Å; Y282-N307 CarbonylContact C-O 3.21Å; Y282-N307 WeakPolarHBondContact CA-O 3.36Å; Y282-N307 PolarHBondContact N-O 3.36Å; S283-N307 VanDerWaalsContact CB-ND2 3.31Å; S283-N307 WeakPolarHBondContact CB-ND2 3.18Å; S283-N307 PolarHBondContact OG-ND2 2.94Å; N307-H309 WeakPolarHBondContact OD1-CB 3.31Å; N307-H309 PolarHBondContact OD1-N 2.78Å; N307-N341 WeakPolarHBondContact OD1-CB 3.4Å; N307-N341 PolarHBondContact OD1-ND2 2.71Å
308	L	88.5	Confident	83.2	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.276	C	S	.	.			trans	-126.2	19.3	-179.6	-67.6	167.4	0	0	0	111.7	M287 I290 L306 N311 L313 L331 L340 N341 L342 N345	M287-L308 HydrophobicContact CE-CD2 3.53Å; I290-L308 HydrophobicContact CD1-CD1 4.37Å; I290-L308 HydrophobicContact CG1-CD1 4.19Å; L306-L308 HydrophobicContact CD1-CD2 4.23Å; L306-L308 HydrophobicContact CD1-CG 4.12Å; L306-L308 HydrophobicContact CD2-CD1 3.8Å; L306-L308 HydrophobicContact CD2-CG 4.24Å; L306-L308 HydrophobicContact CG-CD1 3.99Å; L306-L308 HydrophobicContact CG-CG 3.92Å; L308-N311 VanDerWaalsContact C-ND2 3.33Å; L308-N311 PolarHBondContact O-ND2 3.15Å; L308-L313 HydrophobicContact CB-CD1 3.86Å; L308-L313 HydrophobicContact CD1-CD1 3.81Å; L308-L313 HydrophobicContact CD2-CD1 4.13Å; L308-L313 HydrophobicContact CG-CD1 4.14Å; L308-L331 HydrophobicContact CD1-CD2 4.47Å; L308-L340 HydrophobicContact CD1-CD1 4.19Å; L308-N341 CarbonylContact C-O 3.16Å; L308-N341 WeakPolarHBondContact CA-O 3.43Å; L308-N341 WeakPolarHBondContact CB-O 3.32Å; L308-N341 PolarHBondContact N-O 2.96Å; L308-L342 HydrophobicContact CB-CD2 3.93Å; L308-L342 HydrophobicContact CD1-CD2 3.84Å; L308-N345 PolarHBondContact O-ND2 2.73Å
309	H	83.7	Confident	82.8	Confident	49 Å²	49	59.9 Å²	59.9	23%	0.227	30%	0.299	C	S	.	.			trans	-55.5	150.6	179	170.3	66.1	0	0	0	114	S283 D284 N307 N311 N341 S343	S283-H309 CarbonylContact C-O 3.57Å; S283-H309 WeakPolarHBondContact CA-O 3.4Å; S283-H309 VanDerWaalsContact CB-O 3.22Å; S283-H309 WeakPolarHBondContact CB-O 3.15Å; D284-H309 PolarHBondContact N-O 3.31Å; N307-H309 WeakPolarHBondContact OD1-CB 3.31Å; N307-H309 PolarHBondContact OD1-N 2.78Å; H309-N311 VanDerWaalsContact C-N 3.35Å; H309-N311 PolarHBondContact O-N 2.98Å; H309-N311 PolarHBondContact O-ND2 2.88Å; H309-N341 PolarHBondContact N-O 3.32Å; H309-S343 VanDerWaalsContact CA-O 3.25Å; H309-S343 WeakPolarHBondContact CA-O 3.15Å; H309-S343 PolarHBondContact ND1-O 2.9Å; H309-S343 VanDerWaalsContact ND1-O 3.16Å; H309-S343 PolarHBondContact ND1-OG 2.61Å
310	G	79.2	Confident	82.2	Confident	13 Å²	13	58.1 Å²	58.1	13%	0.134	29%	0.294	C	S	.	.	S	Bend	trans	65.5	35.1	171.4	0	0	0	0	0	113.8	D284 S343 D344	D284-G310 WeakPolarHBondContact CA-O 3.37Å; G310-S343 PolarHBondContact N-O 3.42Å; G310-D344 CarbonylContact C-O 3.57Å; G310-D344 WeakPolarHBondContact CA-O 3.42Å; G310-D344 PolarHBondContact N-O 3.26Å; G310-D344 VanDerWaalsContact N-O 3.07Å
311	N	84	Confident	81.4	Confident	7 Å²	7	59.2 Å²	59.2	4%	0.037	31%	0.309	C	S	.	.			trans	-117	-165	-179.8	-77.1	-70.4	0	0	0	110.5	Y282 M285 Q286 M287 L308 H309 L313 D344 N345	Y282-N311 PolarHBondContact O-ND2 3.09Å; M285-N311 PolarHBondContact N-OD1 2.93Å; Q286-N311 PolarHBondContact N-OD1 2.92Å; M287-N311 WeakPolarHBondContact CB-OD1 3.22Å; M287-N311 WeakPolarHBondContact CG-OD1 3.36Å; M287-N311 PolarHBondContact N-OD1 3.43Å; L308-N311 VanDerWaalsContact C-ND2 3.33Å; L308-N311 PolarHBondContact O-ND2 3.15Å; H309-N311 VanDerWaalsContact C-N 3.35Å; H309-N311 PolarHBondContact O-N 2.98Å; H309-N311 PolarHBondContact O-ND2 2.88Å; N311-L313 HydrophobicContact CB-CG 4.08Å; N311-D344 PolarHBondContact N-O 2.75Å; N311-N345 WeakPolarHBondContact CB-OD1 3.16Å
312	S	84.4	Confident	80.7	Confident	31 Å²	31	60.1 Å²	60.1	22%	0.217	32%	0.315	C	S	.	.			trans	-139.9	40.8	178.7	-59.1	0	0	0	0	110.8	M287 R314	M287-S312 CarbonylContact O-C 3.41Å; M287-S312 VanDerWaalsContact O-C 3.31Å; M287-S312 WeakPolarHBondContact O-CA 3.29Å; M287-S312 PolarHBondContact O-N 3.34Å; S312-R314 WeakPolarHBondContact O-CG 3.45Å
313	L	88	Confident	80.1	Confident	3 Å²	3	63.9 Å²	63.9	2%	0.016	33%	0.327	C	S	.	.			trans	-65.7	145.5	-174	-62.1	176	0	0	0	111.8	M287 E288 T289 I290 L308 N311 L328 L342 N345	M287-L313 HydrophobicContact CB-CD2 4.07Å; M287-L313 PolarHBondContact O-N 2.63Å; E288-L313 WeakPolarHBondContact O-CA 3.32Å; T289-L313 VanDerWaalsContact C-CD2 3.46Å; I290-L313 HydrophobicContact CG1-CD1 4.11Å; I290-L313 HydrophobicContact CG1-CD2 4.14Å; L308-L313 HydrophobicContact CB-CD1 3.86Å; L308-L313 HydrophobicContact CD1-CD1 3.81Å; L308-L313 HydrophobicContact CD2-CD1 4.13Å; L308-L313 HydrophobicContact CG-CD1 4.14Å; N311-L313 HydrophobicContact CB-CG 4.08Å; L313-L328 HydrophobicContact CB-CD1 4.13Å; L313-L328 HydrophobicContact CB-CD2 3.75Å; L313-L328 HydrophobicContact CB-CG 3.91Å; L313-L328 HydrophobicContact CD1-CD2 3.99Å; L313-L342 HydrophobicContact CD1-CD2 3.91Å; L313-N345 WeakPolarHBondContact CB-OD1 3.21Å; L313-N345 WeakPolarHBondContact CG-OD1 3.3Å; L313-N345 PolarHBondContact N-OD1 3.08Å
314	R	84.3	Confident	79.4	Confident	109 Å²	109	68.6 Å²	68.6	41%	0.411	35%	0.352	S	S	.	.			trans	-131.7	158.3	-175.2	-54.1	-171.5	-169.5	156	17.4	113	E288 S312 W327 L328	E288-R314 PolarHBondContact O-N 3.32Å; E288-R314 IonicContact OE1-CZ 3.15Å; E288-R314 IonicContact OE1-NH1 2.82Å; E288-R314 IonicContact OE1-NH2 2.72Å; E288-R314 PolarHBondContact OE1-NH2 3.14Å; S312-R314 WeakPolarHBondContact O-CG 3.45Å; R314-W327 HydrophobicContact CB-CZ3 4.46Å; R314-L328 PolarHBondContact O-N 3.25Å
315	E	85.7	Confident	79.1	Confident	65 Å²	65	67.6 Å²	67.6	30%	0.304	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-70.3	154	163.2	-65.6	-163.9	98.2	0	0	110.7	P317 L328 N329 P351	E315-P317 WeakPolarHBondContact O-CD 3.41Å; E315-L328 HydrophobicContact CG-CB 4.37Å; E315-N329 WeakPolarHBondContact CA-OD1 3.46Å; E315-N329 VanDerWaalsContact CB-OD1 3.25Å; E315-N329 WeakPolarHBondContact CB-OD1 3.19Å; E315-N329 PolarHBondContact OE1-ND2 2.72Å; E315-P351 HydrophobicContact CG-CB 3.98Å
316	R	85.9	Confident	79.2	Confident	63 Å²	63	64.6 Å²	64.6	24%	0.238	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-63.8	120.9	-175.9	-177.7	-179.3	-84.7	109.5	-0.5	110.2	A320 N324 W327 N329 D330	R316-A320 HydrophobicContact CG-CB 3.96Å; R316-N324 PolarHBondContact NH2-O 2.82Å; R316-W327 HydrophobicContact CB-CB 3.96Å; R316-W327 HydrophobicContact CB-CD2 4.09Å; R316-W327 HydrophobicContact CB-CG 3.71Å; R316-W327 HydrophobicContact CG-CD2 4.36Å; R316-W327 HydrophobicContact CG-CG 4.14Å; R316-N329 PolarHBondContact N-OD1 3.32Å; R316-D330 IonicContact CZ-OD1 2.68Å; R316-D330 VanDerWaalsContact CZ-OD1 3.22Å; R316-D330 IonicContact CZ-OD2 2.7Å; R316-D330 IonicContact NH1-OD1 2.74Å; R316-D330 PolarHBondContact NH1-OD1 3.28Å; R316-D330 IonicContact NH1-OD2 3.96Å; R316-D330 IonicContact NH2-OD1 2.9Å; R316-D330 PolarHBondContact NH2-OD1 3.35Å; R316-D330 IonicContact NH2-OD2 2.79Å; R316-D330 PolarHBondContact NH2-OD2 3.4Å
317	P	80.9	Confident	79.3	Confident	56 Å²	56	66.4 Å²	66.4	36%	0.364	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-60.3	145.8	176.6	-24.7	33.2	0	0	0	112.1	E315 K319 A320 W327	E315-P317 WeakPolarHBondContact O-CD 3.41Å; P317-K319 PolarHBondContact O-N 2.9Å; P317-A320 HydrophobicContact CB-CB 4.15Å; P317-A320 HydrophobicContact CG-CB 4.25Å; P317-A320 WeakPolarHBondContact O-CB 3.45Å; P317-A320 PolarHBondContact O-N 2.86Å; P317-W327 VanDerWaalsContact CD-CZ3 3.41Å; P317-W327 HydrophobicContact CG-CH2 3.97Å; P317-W327 HydrophobicContact CG-CZ3 4.01Å
318	P	74.1	Confident	79.7	Confident	144 Å²	144	66.2 Å²	66.2	94%	0.935	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-15.6	179.2	-26.6	35	0	0	0	115.7
319	K	71	Confident	79.7	Confident	210 Å²	210	68.1 Å²	68.1	91%	0.913	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	0.2	177.1	-60.7	-174	179.7	-177.3	0	113.7	P317	P317-K319 PolarHBondContact O-N 2.9Å
320	A	64.8	Low	80.1	Confident	33 Å²	33	66.8 Å²	66.8	27%	0.273	35%	0.345	S	S	.	.	S	Bend	trans	-80.9	140.2	178.8	0	0	0	0	0	110.8	R316 P317 Q322 W327	R316-A320 HydrophobicContact CG-CB 3.96Å; P317-A320 HydrophobicContact CB-CB 4.15Å; P317-A320 HydrophobicContact CG-CB 4.25Å; P317-A320 WeakPolarHBondContact O-CB 3.45Å; P317-A320 PolarHBondContact O-N 2.86Å; A320-Q322 PolarHBondContact O-N 3.49Å; A320-W327 HydrophobicContact CB-CZ2 4.21Å
321	G	64.9	Low	80.7	Confident	41 Å²	41	66.2 Å²	66.2	42%	0.423	34%	0.339	S	S	.	.			trans	-58.4	130.4	179.7	0	0	0	0	0	112.1	Y323 N324	G321-Y323 PolarHBondContact O-N 3.3Å; G321-N324 PolarHBondContact O-N 3.28Å; G321-N324 VanDerWaalsContact O-N 3.15Å
322	Q	68.5	Low	81	Confident	158 Å²	158	67.9 Å²	67.9	74%	0.738	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.1	-173.4	-163	172.6	11.7	0	0	113.8	A320	A320-Q322 PolarHBondContact O-N 3.49Å
323	Y	68.4	Low	81.2	Confident	217 Å²	217	69.4 Å²	69.4	85%	0.851	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-11.5	-179.1	-55.9	-71.3	0	0	0	114.7	G321 A325	G321-Y323 PolarHBondContact O-N 3.3Å; Y323-A325 PolarHBondContact O-N 3.44Å
324	N	71.9	Confident	81.4	Confident	107 Å²	107	69.3 Å²	69.3	57%	0.572	36%	0.359	S	S	*	.			trans	-83.2	111.3	179.8	-69.7	20.3	0	0	0	109.1	R316 G321 W327	R316-N324 PolarHBondContact NH2-O 2.82Å; G321-N324 PolarHBondContact O-N 3.28Å; G321-N324 VanDerWaalsContact O-N 3.15Å; N324-W327 PolarHBondContact O-NE1 2.84Å
325	A	78.6	Confident	81.6	Confident	38 Å²	38	70.5 Å²	70.5	31%	0.314	37%	0.369	S	S	.	.			trans	-70.1	-174.2	175.8	0	0	0	0	0	112.5	F295 Y323 D330	F295-A325 HydrophobicContact CD1-CB 4.43Å; F295-A325 HydrophobicContact CD2-CB 4.27Å; F295-A325 HydrophobicContact CG-CB 4.23Å; Y323-A325 PolarHBondContact O-N 3.44Å; A325-D330 VanDerWaalsContact C-OD2 3.3Å; A325-D330 WeakPolarHBondContact CA-OD2 3.34Å
326	G	86.1	Confident	81.9	Confident	1 Å²	1	74 Å²	74	1%	0.01	38%	0.381	C	S	.	.			trans	92.1	0.4	174.1	0	0	0	0	0	115.7	T289 I290 D330	T289-G326 CarbonylContact C-O 3.6Å; T289-G326 WeakPolarHBondContact CA-O 3.33Å; T289-G326 VanDerWaalsContact CB-O 3.26Å; T289-G326 WeakPolarHBondContact CB-O 3.44Å; I290-G326 PolarHBondContact N-O 3.37Å; I290-G326 WeakPolarHBondContact O-CA 3.21Å; G326-D330 PolarHBondContact N-OD2 3.36Å; G326-D330 VanDerWaalsContact N-OD2 3.13Å
327	W	89.9	Confident	82.2	Confident	44 Å²	44	71 Å²	71	17%	0.167	37%	0.369	C	S	.	.	S	Bend	trans	-86.2	160.3	176.7	-54.2	89.7	0	0	0	111.3	T289 R314 R316 P317 A320 N324 N329 D330	T289-W327 HydrophobicContact CG2-CD2 4.36Å; T289-W327 HydrophobicContact CG2-CE3 4.28Å; T289-W327 HydrophobicContact CG2-CH2 4.32Å; T289-W327 HydrophobicContact CG2-CZ2 4.4Å; T289-W327 HydrophobicContact CG2-CZ3 4.25Å; R314-W327 HydrophobicContact CB-CZ3 4.46Å; R316-W327 HydrophobicContact CB-CB 3.96Å; R316-W327 HydrophobicContact CB-CD2 4.09Å; R316-W327 HydrophobicContact CB-CG 3.71Å; R316-W327 HydrophobicContact CG-CD2 4.36Å; R316-W327 HydrophobicContact CG-CG 4.14Å; P317-W327 VanDerWaalsContact CD-CZ3 3.41Å; P317-W327 HydrophobicContact CG-CH2 3.97Å; P317-W327 HydrophobicContact CG-CZ3 4.01Å; A320-W327 HydrophobicContact CB-CZ2 4.21Å; N324-W327 PolarHBondContact O-NE1 2.84Å; W327-N329 PolarHBondContact O-N 2.71Å; W327-D330 PolarHBondContact N-OD2 3.48Å; W327-D330 WeakPolarHBondContact O-CB 3.39Å; W327-D330 PolarHBondContact O-N 3.23Å
328	L	90.5	Very high	82.7	Confident	2 Å²	2	70.5 Å²	70.5	1%	0.01	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-57.7	-22.2	173.7	-70.7	174.2	0	0	0	113.1	L313 R314 E315 D330 L331 L342 L347 P351 S353	L313-L328 HydrophobicContact CB-CD1 4.13Å; L313-L328 HydrophobicContact CB-CD2 3.75Å; L313-L328 HydrophobicContact CB-CG 3.91Å; L313-L328 HydrophobicContact CD1-CD2 3.99Å; R314-L328 PolarHBondContact O-N 3.25Å; E315-L328 HydrophobicContact CG-CB 4.37Å; L328-D330 VanDerWaalsContact C-N 3.32Å; L328-L331 HydrophobicContact CD2-CD1 3.85Å; L328-L331 WeakPolarHBondContact O-CB 3.44Å; L328-L342 HydrophobicContact CD2-CD1 4.31Å; L328-L342 HydrophobicContact CD2-CD2 3.73Å; L328-L347 HydrophobicContact CD1-CD2 3.58Å; L328-P351 HydrophobicContact CB-CB 4.4Å; L328-S353 PolarHBondContact O-OG 2.81Å
329	N	89.7	Confident	83.4	Confident	40 Å²	40	64.2 Å²	64.2	21%	0.214	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-75	-21.7	175.3	-52.8	108.2	0	0	0	113.6	E315 R316 W327 L331 S353	E315-N329 WeakPolarHBondContact CA-OD1 3.46Å; E315-N329 VanDerWaalsContact CB-OD1 3.25Å; E315-N329 WeakPolarHBondContact CB-OD1 3.19Å; E315-N329 PolarHBondContact OE1-ND2 2.72Å; R316-N329 PolarHBondContact N-OD1 3.32Å; W327-N329 PolarHBondContact O-N 2.71Å; N329-L331 VanDerWaalsContact C-N 3.3Å; N329-S353 WeakPolarHBondContact CA-OG 3.32Å; N329-S353 PolarHBondContact ND2-OG 2.82Å
330	D	91.1	Very high	84.3	Confident	21 Å²	21	54.4 Å²	54.4	11%	0.112	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-84.4	-6	178.6	-51.8	-42.5	0	0	0	112.4	F295 R316 A325 G326 W327 L328 V332 C333	F295-D330 HydrophobicContact CE1-CB 3.69Å; F295-D330 HydrophobicContact CZ-CB 4.05Å; R316-D330 IonicContact CZ-OD1 2.68Å; R316-D330 VanDerWaalsContact CZ-OD1 3.22Å; R316-D330 IonicContact CZ-OD2 2.7Å; R316-D330 IonicContact NH1-OD1 2.74Å; R316-D330 PolarHBondContact NH1-OD1 3.28Å; R316-D330 IonicContact NH1-OD2 3.96Å; R316-D330 IonicContact NH2-OD1 2.9Å; R316-D330 PolarHBondContact NH2-OD1 3.35Å; R316-D330 IonicContact NH2-OD2 2.79Å; R316-D330 PolarHBondContact NH2-OD2 3.4Å; A325-D330 VanDerWaalsContact C-OD2 3.3Å; A325-D330 WeakPolarHBondContact CA-OD2 3.34Å; G326-D330 PolarHBondContact N-OD2 3.36Å; G326-D330 VanDerWaalsContact N-OD2 3.13Å; W327-D330 PolarHBondContact N-OD2 3.48Å; W327-D330 WeakPolarHBondContact O-CB 3.39Å; W327-D330 PolarHBondContact O-N 3.23Å; L328-D330 VanDerWaalsContact C-N 3.32Å; D330-V332 PolarHBondContact O-N 3.26Å; D330-C333 WeakPolarHBondContact O-CB 3.34Å; D330-C333 PolarHBondContact O-N 3.09Å; D330-C333 PolarHBondContact O-SG 3.21Å
331	L	91.4	Very high	85.4	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-55.4	-24.2	174.6	-81.5	169.8	0	0	0	113.3	I290 L306 L308 L328 N329 C333 F334 L340 L342 L357	I290-L331 HydrophobicContact CD1-CD1 4.21Å; I290-L331 HydrophobicContact CD1-CD2 3.55Å; I290-L331 HydrophobicContact CD1-CG 3.56Å; L306-L331 HydrophobicContact CD2-CD2 4.29Å; L308-L331 HydrophobicContact CD1-CD2 4.47Å; L328-L331 HydrophobicContact CD2-CD1 3.85Å; L328-L331 WeakPolarHBondContact O-CB 3.44Å; N329-L331 VanDerWaalsContact C-N 3.3Å; L331-C333 PolarHBondContact O-N 3Å; L331-F334 HydrophobicContact CD2-CD2 4.11Å; L331-F334 HydrophobicContact CD2-CE2 4.4Å; L331-F334 WeakPolarHBondContact O-CD2 3.07Å; L331-F334 PolarHBondContact O-N 2.88Å; L331-L340 HydrophobicContact CD1-CD2 4.26Å; L331-L342 HydrophobicContact CD1-CD1 4.06Å; L331-L357 HydrophobicContact CB-CD1 4.39Å
332	V	91	Very high	86.7	Confident	42 Å²	42	52.5 Å²	52.5	26%	0.255	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-54.5	-22.6	174.2	65.8	0	0	0	0	113.7	D330 F334 Q335 Q356	D330-V332 PolarHBondContact O-N 3.26Å; V332-F334 VanDerWaalsContact C-N 3.25Å; V332-F334 PolarHBondContact O-N 3.48Å; V332-Q335 WeakPolarHBondContact O-CG 3.29Å; V332-Q356 HydrophobicContact CG2-CB 4.03Å
333	C	89.6	Confident	87.5	Confident	64 Å²	64	45.3 Å²	45.3	43%	0.432	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-64.8	-26.2	175.5	-65.4	0	0	0	0	113.5	F295 P300 D330 L331 Q335	F295-C333 HydrophobicContact CD1-CB 4.41Å; P300-C333 HydrophobicContact CB-CB 4.48Å; P300-C333 WeakPolarHBondContact CB-O 3.46Å; D330-C333 WeakPolarHBondContact O-CB 3.34Å; D330-C333 PolarHBondContact O-N 3.09Å; D330-C333 PolarHBondContact O-SG 3.21Å; L331-C333 PolarHBondContact O-N 3Å; C333-Q335 VanDerWaalsContact C-N 3.28Å; C333-Q335 PolarHBondContact O-N 2.81Å; C333-Q335 VanDerWaalsContact O-N 3.08Å
334	F	91.1	Very high	88.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.			trans	-87.3	57.3	-176.2	-58	-82.6	0	0	0	112	L294 F295 P300 L303 L331 V332 Y336 L337 L357	L294-F334 HydrophobicContact CB-CE1 3.94Å; L294-F334 HydrophobicContact CB-CZ 3.71Å; L294-F334 VanDerWaalsContact O-CE1 3.32Å; L294-F334 WeakPolarHBondContact O-CE1 3.3Å; F295-F334 HydrophobicContact CD1-CE2 4.08Å; F295-F334 HydrophobicContact CD1-CZ 4.03Å; F295-F334 AromaticContact CE1-CE2 3.57Å; F295-F334 HydrophobicContact CE1-CE2 3.57Å; F295-F334 AromaticContact CE1-CZ 3.92Å; F295-F334 HydrophobicContact CE1-CZ 3.92Å; F295-F334 HydrophobicContact CG-CZ 4.4Å; F295-F334 AromaticContact CZ-CE2 3.89Å; F295-F334 HydrophobicContact CZ-CE2 3.89Å; F295-F334 HydrophobicContact CZ-CZ 4.19Å; P300-F334 HydrophobicContact CB-CD1 4.15Å; P300-F334 HydrophobicContact CB-CE1 4.26Å; P300-F334 HydrophobicContact CG-CE1 4.25Å; L303-F334 HydrophobicContact CB-CD1 4.07Å; L303-F334 HydrophobicContact CD2-CD1 3.66Å; L303-F334 HydrophobicContact CD2-CE1 3.83Å; L303-F334 HydrophobicContact CD2-CG 4.46Å; L331-F334 HydrophobicContact CD2-CD2 4.11Å; L331-F334 HydrophobicContact CD2-CE2 4.4Å; L331-F334 WeakPolarHBondContact O-CD2 3.07Å; L331-F334 PolarHBondContact O-N 2.88Å; V332-F334 VanDerWaalsContact C-N 3.25Å; V332-F334 PolarHBondContact O-N 3.48Å; F334-Y336 PolarHBondContact O-N 3.5Å; F334-L337 HydrophobicContact CB-CB 4.11Å; F334-L337 HydrophobicContact CB-CD2 4.4Å; F334-L337 WeakPolarHBondContact O-CB 3.46Å; F334-L337 PolarHBondContact O-N 2.62Å; F334-L357 WeakPolarHBondContact O-CD2 3.26Å
335	Q	89.8	Confident	88.9	Confident	134 Å²	134	33.3 Å²	33.3	63%	0.626	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-7.8	-171.4	-64.6	-174.3	-14.6	0	0	115.8	V332 C333 S359	V332-Q335 WeakPolarHBondContact O-CG 3.29Å; C333-Q335 VanDerWaalsContact C-N 3.28Å; C333-Q335 PolarHBondContact O-N 2.81Å; C333-Q335 VanDerWaalsContact O-N 3.08Å; Q335-S359 WeakPolarHBondContact O-CB 3.47Å; Q335-S359 PolarHBondContact O-OG 3Å
336	Y	91.4	Very high	89.2	Confident	139 Å²	139	36 Å²	36	55%	0.545	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	7.1	177.3	-61.5	-91.4	0	0	0	112.9	K301 F334 T338	K301-Y336 HydrophobicContact CB-CD2 4.35Å; K301-Y336 HydrophobicContact CB-CE2 4.18Å; K301-Y336 HydrophobicContact CG-CE2 4.26Å; F334-Y336 PolarHBondContact O-N 3.5Å; Y336-T338 PolarHBondContact O-N 3.12Å
337	L	91.3	Very high	89.5	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.189	C	C	.	.			trans	-72.8	114.2	-175.8	-166.2	67.8	0	0	0	110.6	L303 L306 F334 L340 L357 S359 L360	L303-L337 HydrophobicContact CD2-CD1 4.46Å; L306-L337 HydrophobicContact CB-CD1 3.7Å; L306-L337 HydrophobicContact CB-CD2 4.33Å; F334-L337 HydrophobicContact CB-CB 4.11Å; F334-L337 HydrophobicContact CB-CD2 4.4Å; F334-L337 WeakPolarHBondContact O-CB 3.46Å; F334-L337 PolarHBondContact O-N 2.62Å; L337-L340 HydrophobicContact CD2-CB 3.87Å; L337-L340 HydrophobicContact CD2-CD1 4.11Å; L337-L340 HydrophobicContact CD2-CD2 4.08Å; L337-L340 HydrophobicContact CD2-CG 4.24Å; L337-L357 HydrophobicContact CD2-CD1 4.27Å; L337-S359 PolarHBondContact N-OG 3.04Å; L337-S359 CarbonylContact O-C 3.36Å; L337-S359 WeakPolarHBondContact O-CB 3.4Å; L337-S359 PolarHBondContact O-OG 3.23Å; L337-L360 HydrophobicContact CD2-CD2 4.42Å; L337-L360 HydrophobicContact CG-CD2 4.24Å; L337-L360 WeakPolarHBondContact O-CD2 3.43Å; L337-L360 PolarHBondContact O-N 3.47Å
338	T	91	Very high	89.5	Confident	46 Å²	46	39.2 Å²	39.2	28%	0.282	21%	0.205	S	C	.	.			trans	-94.1	-29	178.7	66.5	0	0	0	0	112.6	S304 Y336 S361 E362	S304-T338 WeakPolarHBondContact O-CA 3.42Å; S304-T338 WeakPolarHBondContact O-CB 3.24Å; S304-T338 PolarHBondContact O-N 3.2Å; S304-T338 PolarHBondContact O-OG1 3.38Å; Y336-T338 PolarHBondContact O-N 3.12Å; T338-S361 PolarHBondContact O-N 2.97Å; T338-S361 PolarHBondContact O-OG 3.11Å; T338-E362 PolarHBondContact O-N 3.36Å
339	A	88.8	Confident	89.7	Confident	12 Å²	12	46.9 Å²	46.9	10%	0.099	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	130.3	176.5	0	0	0	0	0	112.6	S304 K305 L306 E362	S304-A339 PolarHBondContact O-N 2.95Å; K305-A339 CarbonylContact C-O 3.57Å; K305-A339 VanDerWaalsContact CA-O 3.3Å; K305-A339 WeakPolarHBondContact CA-O 3.22Å; K305-A339 HydrophobicContact CB-CB 4.03Å; K305-A339 HydrophobicContact CD-CB 3.86Å; K305-A339 HydrophobicContact CG-CB 3.68Å; L306-A339 PolarHBondContact N-O 2.92Å; A339-E362 CarbonylContact C-O 3.56Å; A339-E362 VanDerWaalsContact CA-O 3.23Å; A339-E362 WeakPolarHBondContact CA-O 3.38Å; A339-E362 HydrophobicContact CB-CB 3.79Å
340	L	91.3	Very high	89.8	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	126	179.1	176.8	56	0	0	0	110.8	L306 L308 L331 L337 L342 L354 L357 L360 E362 L363 S364	L306-L340 HydrophobicContact CB-CD1 4.4Å; L306-L340 HydrophobicContact CD2-CD1 4.45Å; L306-L340 HydrophobicContact CG-CD1 4.39Å; L306-L340 WeakPolarHBondContact O-CA 3.41Å; L308-L340 HydrophobicContact CD1-CD1 4.19Å; L331-L340 HydrophobicContact CD1-CD2 4.26Å; L337-L340 HydrophobicContact CD2-CB 3.87Å; L337-L340 HydrophobicContact CD2-CD1 4.11Å; L337-L340 HydrophobicContact CD2-CD2 4.08Å; L337-L340 HydrophobicContact CD2-CG 4.24Å; L340-L342 HydrophobicContact CD1-CD1 4.37Å; L340-L342 HydrophobicContact CD1-CG 4Å; L340-L342 HydrophobicContact CD2-CD1 3.9Å; L340-L342 HydrophobicContact CD2-CG 4.39Å; L340-L342 HydrophobicContact CG-CD1 4.12Å; L340-L342 HydrophobicContact CG-CG 4.08Å; L340-L354 HydrophobicContact CD2-CD1 3.68Å; L340-L354 HydrophobicContact CD2-CG 4.31Å; L340-L357 HydrophobicContact CD2-CD1 4.47Å; L340-L360 HydrophobicContact CB-CD2 3.66Å; L340-E362 PolarHBondContact N-O 3.32Å; L340-L363 HydrophobicContact CB-CD1 4.29Å; L340-L363 HydrophobicContact CD2-CD1 4.45Å; L340-L363 HydrophobicContact CG-CD1 4.37Å; L340-L363 WeakPolarHBondContact O-CA 3.36Å; L340-S364 PolarHBondContact O-N 3.16Å
341	N	87	Confident	89.7	Confident	33 Å²	33	44.4 Å²	44.4	18%	0.176	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	110.6	173.5	-174.5	19.6	0	0	0	110.9	L306 N307 L308 H309 S343 S364	L306-N341 PolarHBondContact O-N 2.85Å; L306-N341 VanDerWaalsContact O-N 3.1Å; N307-N341 WeakPolarHBondContact OD1-CB 3.4Å; N307-N341 PolarHBondContact OD1-ND2 2.71Å; L308-N341 CarbonylContact C-O 3.16Å; L308-N341 WeakPolarHBondContact CA-O 3.43Å; L308-N341 WeakPolarHBondContact CB-O 3.32Å; L308-N341 PolarHBondContact N-O 2.96Å; H309-N341 PolarHBondContact N-O 3.32Å; N341-S343 WeakPolarHBondContact OD1-CB 3.35Å; N341-S343 PolarHBondContact OD1-N 2.84Å; N341-S343 PolarHBondContact OD1-OG 2.64Å; N341-S364 WeakPolarHBondContact OD1-CB 3.46Å; N341-S364 PolarHBondContact OD1-OG 3.09Å
342	L	91.7	Very high	89.4	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.			trans	-116	23.8	175.8	-75	169.2	0	0	0	111.3	L308 L313 L328 L331 L340 L347 L354 S364 L365 N368	L308-L342 HydrophobicContact CB-CD2 3.93Å; L308-L342 HydrophobicContact CD1-CD2 3.84Å; L313-L342 HydrophobicContact CD1-CD2 3.91Å; L328-L342 HydrophobicContact CD2-CD1 4.31Å; L328-L342 HydrophobicContact CD2-CD2 3.73Å; L331-L342 HydrophobicContact CD1-CD1 4.06Å; L340-L342 HydrophobicContact CD1-CD1 4.37Å; L340-L342 HydrophobicContact CD1-CG 4Å; L340-L342 HydrophobicContact CD2-CD1 3.9Å; L340-L342 HydrophobicContact CD2-CG 4.39Å; L340-L342 HydrophobicContact CG-CD1 4.12Å; L340-L342 HydrophobicContact CG-CG 4.08Å; L342-L347 HydrophobicContact CB-CD1 4.38Å; L342-L354 HydrophobicContact CD1-CD1 3.49Å; L342-L354 VanDerWaalsContact CD1-CD1 3.49Å; L342-S364 CarbonylContact C-O 3.27Å; L342-S364 PolarHBondContact N-O 3.28Å; L342-L365 HydrophobicContact CB-CD2 3.97Å; L342-L365 HydrophobicContact CD1-CD2 4.4Å; L342-N368 PolarHBondContact O-ND2 3.31Å
343	S	85.6	Confident	89.2	Confident	8 Å²	8	47.3 Å²	47.3	6%	0.056	24%	0.239	C	C	.	.			trans	-65.9	151.1	175.9	55.4	0	0	0	0	112.3	H309 G310 N341 N345 S364 A366	H309-S343 VanDerWaalsContact CA-O 3.25Å; H309-S343 WeakPolarHBondContact CA-O 3.15Å; H309-S343 PolarHBondContact ND1-O 2.9Å; H309-S343 VanDerWaalsContact ND1-O 3.16Å; H309-S343 PolarHBondContact ND1-OG 2.61Å; G310-S343 PolarHBondContact N-O 3.42Å; N341-S343 WeakPolarHBondContact OD1-CB 3.35Å; N341-S343 PolarHBondContact OD1-N 2.84Å; N341-S343 PolarHBondContact OD1-OG 2.64Å; S343-N345 PolarHBondContact O-ND2 2.96Å; S343-N345 VanDerWaalsContact O-ND2 3.09Å; S343-S364 PolarHBondContact N-O 3.28Å; S343-A366 CarbonylContact C-O 3.03Å; S343-A366 WeakPolarHBondContact CA-O 3.35Å; S343-A366 WeakPolarHBondContact CB-O 3.26Å
344	D	82.3	Confident	89.4	Confident	69 Å²	69	44.3 Å²	44.3	37%	0.369	22%	0.219	S	C	.	.	S	Bend	trans	51.9	60.8	179.9	-157.9	19.4	0	0	0	112.6	G310 N311 A366 N367	G310-D344 CarbonylContact C-O 3.57Å; G310-D344 WeakPolarHBondContact CA-O 3.42Å; G310-D344 PolarHBondContact N-O 3.26Å; G310-D344 VanDerWaalsContact N-O 3.07Å; N311-D344 PolarHBondContact N-O 2.75Å; D344-A366 PolarHBondContact N-O 3.22Å; D344-N367 WeakPolarHBondContact CA-O 3.44Å; D344-N367 HydrophobicContact CB-CB 4.16Å; D344-N367 PolarHBondContact N-O 2.95Å
345	N	87.5	Confident	89.4	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.016	22%	0.219	C	C	.	.	S	Bend	trans	-129.2	14.7	178.2	-92.5	-99.9	0	0	0	112.4	L308 N311 L313 S343 L347 N368	L308-N345 PolarHBondContact O-ND2 2.73Å; N311-N345 WeakPolarHBondContact CB-OD1 3.16Å; L313-N345 WeakPolarHBondContact CB-OD1 3.21Å; L313-N345 WeakPolarHBondContact CG-OD1 3.3Å; L313-N345 PolarHBondContact N-OD1 3.08Å; S343-N345 PolarHBondContact O-ND2 2.96Å; S343-N345 VanDerWaalsContact O-ND2 3.09Å; N345-L347 HydrophobicContact CB-CD1 4.32Å; N345-L347 HydrophobicContact CB-CD2 4.12Å; N345-L347 HydrophobicContact CB-CG 3.86Å; N345-L347 PolarHBondContact O-N 3.5Å; N345-L347 VanDerWaalsContact O-N 3.14Å; N345-N368 WeakPolarHBondContact CA-OD1 3.37Å; N345-N368 PolarHBondContact N-OD1 3.34Å
346	D	86.2	Confident	89.6	Confident	95 Å²	95	43.1 Å²	43.1	51%	0.508	21%	0.213	S	C	.	.			trans	58.3	20	-179	-104.2	2.3	0	0	0	115.5	L348 N368 K369	D346-L348 PolarHBondContact O-N 2.9Å; D346-N368 PolarHBondContact N-OD1 3.45Å; D346-N368 VanDerWaalsContact N-OD1 3.11Å; D346-K369 VanDerWaalsContact OD1-CE 3.22Å; D346-K369 WeakPolarHBondContact OD1-CE 3.44Å; D346-K369 IonicContact OD1-NZ 2.69Å; D346-K369 PolarHBondContact OD1-NZ 3.22Å; D346-K369 IonicContact OD2-NZ 2.87Å; D346-K369 PolarHBondContact OD2-NZ 3.33Å
347	L	91.2	Very high	89.7	Confident	16 Å²	16	36.5 Å²	36.5	8%	0.084	19%	0.188	C	C	.	.			trans	-66	118.3	-173.2	-55.4	-179.8	0	0	0	112.1	L328 L342 N345 L365 N368 K369 I370	L328-L347 HydrophobicContact CD1-CD2 3.58Å; L342-L347 HydrophobicContact CB-CD1 4.38Å; N345-L347 HydrophobicContact CB-CD1 4.32Å; N345-L347 HydrophobicContact CB-CD2 4.12Å; N345-L347 HydrophobicContact CB-CG 3.86Å; N345-L347 PolarHBondContact O-N 3.5Å; N345-L347 VanDerWaalsContact O-N 3.14Å; L347-L365 HydrophobicContact CD1-CD2 4.15Å; L347-N368 HydrophobicContact CB-CB 4.12Å; L347-N368 WeakPolarHBondContact CG-OD1 3.47Å; L347-N368 PolarHBondContact N-OD1 3.01Å; L347-K369 CarbonylContact O-C 3.56Å; L347-K369 VanDerWaalsContact O-CA 3.31Å; L347-K369 WeakPolarHBondContact O-CA 3.37Å; L347-K369 PolarHBondContact O-N 2.88Å; L347-I370 HydrophobicContact CB-CG1 4.42Å; L347-I370 WeakPolarHBondContact O-CG1 3.33Å; L347-I370 PolarHBondContact O-N 3.46Å
348	L	90.5	Very high	89.8	Confident	95 Å²	95	41.3 Å²	41.3	50%	0.497	21%	0.21	S	C	.	.	S	Bend	trans	-76	-20.3	176.4	-65.3	171.4	0	0	0	113.6	D346 K369	D346-L348 PolarHBondContact O-N 2.9Å; L348-K369 HydrophobicContact CD2-CB 3.9Å; L348-K369 HydrophobicContact CD2-CD 4.28Å
349	R	93.7	Very high	89.9	Confident	164 Å²	164	40.6 Å²	40.6	62%	0.619	21%	0.207	S	C	*	.	S	Bend	trans	-151.1	158	-177.2	71.1	-175.9	75.6	-158.7	2.6	110.2	P351	R349-P351 WeakPolarHBondContact O-CD 3.42Å
350	C	92.2	Very high	90.2	Very high	7 Å²	7	40 Å²	40	5%	0.047	20%	0.202	C	C	.	.			trans	-68	123.4	167.1	-66.5	0	0	0	0	110.3	T352 F355 P374	C350-T352 PolarHBondContact O-N 3.26Å; C350-F355 HydrophobicContact CB-CE2 3.79Å; C350-F355 HydrophobicContact CB-CZ 3.68Å; C350-P374 HydrophobicContact CB-CG 4.3Å
351	P	88.5	Confident	90.3	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.013	21%	0.211	C	C	.	.			trans	-68.5	120.8	177.8	26.9	-33.2	0	0	0	110.5	E315 L328 R349 S353 L354	E315-P351 HydrophobicContact CG-CB 3.98Å; L328-P351 HydrophobicContact CB-CB 4.4Å; R349-P351 WeakPolarHBondContact O-CD 3.42Å; P351-S353 PolarHBondContact O-N 3.33Å; P351-S353 VanDerWaalsContact O-N 3.07Å; P351-L354 HydrophobicContact CG-CB 4.22Å; P351-L354 HydrophobicContact CG-CD1 4.46Å; P351-L354 VanDerWaalsContact O-CB 3.28Å; P351-L354 WeakPolarHBondContact O-CB 3.21Å; P351-L354 PolarHBondContact O-N 2.94Å
352	T	85.5	Confident	90.5	Very high	91 Å²	91	41.7 Å²	41.7	56%	0.558	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-63.4	-23.6	-166.6	-39.9	0	0	0	0	113.9	C350 L354	C350-T352 PolarHBondContact O-N 3.26Å; T352-L354 VanDerWaalsContact C-N 3.28Å; T352-L354 PolarHBondContact O-N 3.42Å
353	S	87.7	Confident	90.5	Very high	11 Å²	11	41.9 Å²	41.9	8%	0.077	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-62.4	-29.6	173	45.3	0	0	0	0	113.8	L328 N329 P351 F355 Q356	L328-S353 PolarHBondContact O-OG 2.81Å; N329-S353 WeakPolarHBondContact CA-OG 3.32Å; N329-S353 PolarHBondContact ND2-OG 2.82Å; P351-S353 PolarHBondContact O-N 3.33Å; P351-S353 VanDerWaalsContact O-N 3.07Å; S353-F355 PolarHBondContact O-N 3.08Å; S353-Q356 VanDerWaalsContact O-CB 3.3Å; S353-Q356 WeakPolarHBondContact O-CB 3.44Å; S353-Q356 WeakPolarHBondContact O-CG 3.4Å; S353-Q356 PolarHBondContact O-N 3.33Å
354	L	92.8	Very high	90.7	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-64.5	-30.3	-176.7	-174.9	145.8	0	0	0	112.1	L340 L342 P351 T352 Q356 L357 L360 L363 L380	L340-L354 HydrophobicContact CD2-CD1 3.68Å; L340-L354 HydrophobicContact CD2-CG 4.31Å; L342-L354 HydrophobicContact CD1-CD1 3.49Å; L342-L354 VanDerWaalsContact CD1-CD1 3.49Å; P351-L354 HydrophobicContact CG-CB 4.22Å; P351-L354 HydrophobicContact CG-CD1 4.46Å; P351-L354 VanDerWaalsContact O-CB 3.28Å; P351-L354 WeakPolarHBondContact O-CB 3.21Å; P351-L354 PolarHBondContact O-N 2.94Å; T352-L354 VanDerWaalsContact C-N 3.28Å; T352-L354 PolarHBondContact O-N 3.42Å; L354-Q356 PolarHBondContact O-N 3.41Å; L354-Q356 VanDerWaalsContact O-N 3.12Å; L354-L357 PolarHBondContact O-N 2.65Å; L354-L357 VanDerWaalsContact O-N 3.15Å; L354-L360 HydrophobicContact CD2-CD1 4.12Å; L354-L360 HydrophobicContact CG-CD1 4.38Å; L354-L363 HydrophobicContact CD1-CD1 4.09Å; L354-L363 HydrophobicContact CD2-CD1 4.03Å; L354-L363 HydrophobicContact CD2-CD2 3.63Å; L354-L380 HydrophobicContact CD2-CD1 4.32Å
355	F	92.5	Very high	91.2	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-74.5	7.9	175.1	-52.1	-69.3	0	0	0	114	C350 S353 L373 P374 A376 V377 K379 L380	C350-F355 HydrophobicContact CB-CE2 3.79Å; C350-F355 HydrophobicContact CB-CZ 3.68Å; S353-F355 PolarHBondContact O-N 3.08Å; F355-L373 HydrophobicContact CE1-CD1 4.46Å; F355-L373 HydrophobicContact CZ-CD1 4.32Å; F355-P374 HydrophobicContact CD2-CG 4.23Å; F355-P374 HydrophobicContact CE2-CG 3.41Å; F355-P374 VanDerWaalsContact CE2-CG 3.41Å; F355-P374 HydrophobicContact CZ-CG 3.72Å; F355-A376 HydrophobicContact CB-CB 3.92Å; F355-A376 HydrophobicContact CD2-CB 3.85Å; F355-A376 HydrophobicContact CG-CB 3.87Å; F355-V377 HydrophobicContact CD1-CB 4.25Å; F355-V377 HydrophobicContact CE1-CB 3.95Å; F355-V377 HydrophobicContact CE1-CG2 4.19Å; F355-K379 VanDerWaalsContact O-CB 3.25Å; F355-K379 WeakPolarHBondContact O-CB 3.31Å; F355-K379 WeakPolarHBondContact O-CD 3.45Å; F355-L380 HydrophobicContact CD1-CD1 3.86Å; F355-L380 HydrophobicContact CD1-CG 4.17Å; F355-L380 HydrophobicContact CE1-CD1 4.28Å
356	Q	92.4	Very high	91.2	Very high	108 Å²	108	39.3 Å²	39.3	51%	0.505	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-96.5	-8.3	169.6	-54.1	-179.3	12.8	0	0	112	V332 S353 L354 E358	V332-Q356 HydrophobicContact CG2-CB 4.03Å; S353-Q356 VanDerWaalsContact O-CB 3.3Å; S353-Q356 WeakPolarHBondContact O-CB 3.44Å; S353-Q356 WeakPolarHBondContact O-CG 3.4Å; S353-Q356 PolarHBondContact O-N 3.33Å; L354-Q356 PolarHBondContact O-N 3.41Å; L354-Q356 VanDerWaalsContact O-N 3.12Å; Q356-E358 VanDerWaalsContact C-N 3.31Å; Q356-E358 PolarHBondContact O-N 3.23Å; Q356-E358 VanDerWaalsContact O-N 3.15Å
357	L	94.4	Very high	91.1	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.188	C	C	.	.			trans	-87	67.5	175.5	-64.5	178.4	0	0	0	110.8	L331 F334 L337 L340 L354 S359 L360 L380	L331-L357 HydrophobicContact CB-CD1 4.39Å; F334-L357 WeakPolarHBondContact O-CD2 3.26Å; L337-L357 HydrophobicContact CD2-CD1 4.27Å; L340-L357 HydrophobicContact CD2-CD1 4.47Å; L354-L357 PolarHBondContact O-N 2.65Å; L354-L357 VanDerWaalsContact O-N 3.15Å; L357-S359 PolarHBondContact O-N 2.94Å; L357-L360 HydrophobicContact CB-CD1 3.75Å; L357-L360 HydrophobicContact CB-CG 3.89Å; L357-L360 HydrophobicContact CD1-CD1 4.25Å; L357-L360 WeakPolarHBondContact O-CB 3.45Å; L357-L360 WeakPolarHBondContact O-CG 3.39Å; L357-L360 PolarHBondContact O-N 3.09Å; L357-L380 VanDerWaalsContact O-CD2 3.25Å; L357-L380 WeakPolarHBondContact O-CD2 3.13Å
358	E	93.5	Very high	91.1	Very high	100 Å²	100	36.5 Å²	36.5	47%	0.467	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-14.4	-177	-57.7	-169.4	-171.8	0	0	113.5	Q356 L360 K379 N382	Q356-E358 VanDerWaalsContact C-N 3.31Å; Q356-E358 PolarHBondContact O-N 3.23Å; Q356-E358 VanDerWaalsContact O-N 3.15Å; E358-L360 VanDerWaalsContact C-N 3.32Å; E358-K379 HydrophobicContact CG-CB 4.47Å; E358-N382 PolarHBondContact O-ND2 3.01Å
359	S	93.7	Very high	91.2	Very high	31 Å²	31	36.5 Å²	36.5	22%	0.217	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-15.6	172	56.7	0	0	0	0	115.2	Q335 L337 L357 S361	Q335-S359 WeakPolarHBondContact O-CB 3.47Å; Q335-S359 PolarHBondContact O-OG 3Å; L337-S359 PolarHBondContact N-OG 3.04Å; L337-S359 CarbonylContact O-C 3.36Å; L337-S359 WeakPolarHBondContact O-CB 3.4Å; L337-S359 PolarHBondContact O-OG 3.23Å; L357-S359 PolarHBondContact O-N 2.94Å; S359-S361 PolarHBondContact O-N 3.34Å
360	L	94.3	Very high	91.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.			trans	-65.6	125.9	-175.8	-76.9	172.2	0	0	0	112.2	L337 L340 L354 L357 E358 L363 L380 N382 L383	L337-L360 HydrophobicContact CD2-CD2 4.42Å; L337-L360 HydrophobicContact CG-CD2 4.24Å; L337-L360 WeakPolarHBondContact O-CD2 3.43Å; L337-L360 PolarHBondContact O-N 3.47Å; L340-L360 HydrophobicContact CB-CD2 3.66Å; L354-L360 HydrophobicContact CD2-CD1 4.12Å; L354-L360 HydrophobicContact CG-CD1 4.38Å; L357-L360 HydrophobicContact CB-CD1 3.75Å; L357-L360 HydrophobicContact CB-CG 3.89Å; L357-L360 HydrophobicContact CD1-CD1 4.25Å; L357-L360 WeakPolarHBondContact O-CB 3.45Å; L357-L360 WeakPolarHBondContact O-CG 3.39Å; L357-L360 PolarHBondContact O-N 3.09Å; E358-L360 VanDerWaalsContact C-N 3.32Å; L360-L363 HydrophobicContact CD1-CD1 4.49Å; L360-L380 HydrophobicContact CB-CD2 4.42Å; L360-L380 HydrophobicContact CD1-CD2 4.43Å; L360-N382 CarbonylContact O-C 3.59Å; L360-L383 PolarHBondContact O-N 3.09Å
361	S	92.4	Very high	91.4	Very high	31 Å²	31	31.4 Å²	31.4	22%	0.217	17%	0.169	C	C	.	.	S	Bend	trans	-116.4	-21.8	173.5	65	0	0	0	0	113.5	T338 S359 N382 S384 V385	T338-S361 PolarHBondContact O-N 2.97Å; T338-S361 PolarHBondContact O-OG 3.11Å; S359-S361 PolarHBondContact O-N 3.34Å; S361-N382 WeakPolarHBondContact CA-O 3.21Å; S361-N382 WeakPolarHBondContact CB-O 3.27Å; S361-S384 WeakPolarHBondContact O-CA 3.22Å; S361-S384 WeakPolarHBondContact O-CB 3.21Å; S361-S384 PolarHBondContact O-N 3.49Å; S361-S384 PolarHBondContact O-OG 3.4Å; S361-V385 PolarHBondContact O-N 3.46Å
362	E	91.5	Very high	91.7	Very high	41 Å²	41	34.9 Å²	34.9	19%	0.192	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	112.5	174.9	-59.6	176.8	146.1	0	0	109.3	K235 K305 T338 A339 L340 V385	K235-E362 IonicContact NZ-OE1 3.89Å; K235-E362 PolarHBondContact NZ-OE1 3.34Å; K305-E362 IonicContact NZ-OE2 2.92Å; K305-E362 PolarHBondContact NZ-OE2 3.29Å; T338-E362 PolarHBondContact O-N 3.36Å; A339-E362 CarbonylContact C-O 3.56Å; A339-E362 VanDerWaalsContact CA-O 3.23Å; A339-E362 WeakPolarHBondContact CA-O 3.38Å; A339-E362 HydrophobicContact CB-CB 3.79Å; L340-E362 PolarHBondContact N-O 3.32Å; E362-V385 HydrophobicContact CB-CB 4.32Å; E362-V385 HydrophobicContact CG-CB 4.15Å; E362-V385 HydrophobicContact CG-CG2 4.13Å
363	L	92.2	Very high	92.2	Very high	5 Å²	5	31 Å²	31	3%	0.026	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129.3	179	178.8	61.5	0	0	0	111.1	L340 L354 L360 L365 L380 L383 V385 L386 N387	L340-L363 HydrophobicContact CB-CD1 4.29Å; L340-L363 HydrophobicContact CD2-CD1 4.45Å; L340-L363 HydrophobicContact CG-CD1 4.37Å; L340-L363 WeakPolarHBondContact O-CA 3.36Å; L354-L363 HydrophobicContact CD1-CD1 4.09Å; L354-L363 HydrophobicContact CD2-CD1 4.03Å; L354-L363 HydrophobicContact CD2-CD2 3.63Å; L360-L363 HydrophobicContact CD1-CD1 4.49Å; L363-L365 HydrophobicContact CD1-CG 4.27Å; L363-L365 HydrophobicContact CD2-CD1 4.01Å; L363-L365 HydrophobicContact CG-CD1 4.31Å; L363-L365 HydrophobicContact CG-CG 4.28Å; L363-L380 HydrophobicContact CD2-CD1 4.08Å; L363-L383 HydrophobicContact CB-CD1 3.76Å; L363-V385 PolarHBondContact N-O 3.14Å; L363-L386 HydrophobicContact CB-CD1 4.21Å; L363-L386 HydrophobicContact CD2-CD1 3.98Å; L363-L386 HydrophobicContact CG-CD1 4.14Å; L363-L386 WeakPolarHBondContact O-CA 3.43Å; L363-N387 PolarHBondContact O-N 2.84Å
364	S	90	Very high	92.6	Very high	22 Å²	22	32.3 Å²	32.3	15%	0.154	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	122	172.9	172.2	0	0	0	0	111	L340 N341 L342 S343	L340-S364 PolarHBondContact O-N 3.16Å; N341-S364 WeakPolarHBondContact OD1-CB 3.46Å; N341-S364 PolarHBondContact OD1-OG 3.09Å; L342-S364 CarbonylContact C-O 3.27Å; L342-S364 PolarHBondContact N-O 3.28Å; S343-S364 PolarHBondContact N-O 3.28Å
365	L	93.1	Very high	92.7	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.193	C	C	.	.			trans	-123.2	17.9	175.5	-71.8	166.8	0	0	0	110.9	L342 L347 L363 N368 I370 N387 L388 N391	L342-L365 HydrophobicContact CB-CD2 3.97Å; L342-L365 HydrophobicContact CD1-CD2 4.4Å; L347-L365 HydrophobicContact CD1-CD2 4.15Å; L363-L365 HydrophobicContact CD1-CG 4.27Å; L363-L365 HydrophobicContact CD2-CD1 4.01Å; L363-L365 HydrophobicContact CG-CD1 4.31Å; L363-L365 HydrophobicContact CG-CG 4.28Å; L365-N368 PolarHBondContact O-ND2 2.97Å; L365-I370 HydrophobicContact CB-CD1 3.88Å; L365-I370 HydrophobicContact CD1-CD1 4.35Å; L365-I370 HydrophobicContact CD2-CD1 4.31Å; L365-I370 HydrophobicContact CG-CD1 4.42Å; L365-N387 PolarHBondContact N-O 3.14Å; L365-L388 HydrophobicContact CB-CD2 4.1Å; L365-L388 HydrophobicContact CD1-CD2 4.28Å; L365-N391 PolarHBondContact O-ND2 3.42Å
366	A	87.1	Confident	92.8	Very high	3 Å²	3	37 Å²	37	3%	0.025	21%	0.205	C	C	.	.			trans	-60.8	160.1	-176.6	0	0	0	0	0	113.9	S343 D344 N368 N387 Q389	S343-A366 CarbonylContact C-O 3.03Å; S343-A366 WeakPolarHBondContact CA-O 3.35Å; S343-A366 WeakPolarHBondContact CB-O 3.26Å; D344-A366 PolarHBondContact N-O 3.22Å; A366-N368 VanDerWaalsContact C-N 3.27Å; A366-N368 PolarHBondContact O-N 2.68Å; A366-N368 PolarHBondContact O-ND2 2.91Å; A366-N387 PolarHBondContact N-O 2.87Å; A366-Q389 CarbonylContact C-O 3.56Å; A366-Q389 WeakPolarHBondContact CA-O 3.23Å; A366-Q389 HydrophobicContact CB-CB 4.04Å; A366-Q389 WeakPolarHBondContact CB-O 3.3Å
367	N	84.5	Confident	93	Very high	42 Å²	42	32 Å²	32	23%	0.225	18%	0.182	C	C	.	.	S	Bend	trans	54.3	41.1	177	-50	-35.4	0	0	0	112.8	D344 Q389 N390	D344-N367 WeakPolarHBondContact CA-O 3.44Å; D344-N367 HydrophobicContact CB-CB 4.16Å; D344-N367 PolarHBondContact N-O 2.95Å; N367-Q389 PolarHBondContact N-O 3.01Å; N367-Q389 PolarHBondContact OD1-NE2 2.77Å; N367-N390 CarbonylContact C-O 3.55Å; N367-N390 WeakPolarHBondContact CA-O 3.17Å; N367-N390 PolarHBondContact N-O 2.97Å; N367-N390 VanDerWaalsContact OD1-CB 3.31Å; N367-N390 WeakPolarHBondContact OD1-CB 3.35Å; N367-N390 PolarHBondContact OD1-ND2 3.21Å
368	N	90.6	Very high	93	Very high	10 Å²	10	33 Å²	33	5%	0.053	19%	0.19	C	C	.	.	S	Bend	trans	-117.2	-168.1	175.3	-79.9	-63.4	0	0	0	109.4	L342 N345 D346 L347 L365 A366 I370 N390 N391	L342-N368 PolarHBondContact O-ND2 3.31Å; N345-N368 WeakPolarHBondContact CA-OD1 3.37Å; N345-N368 PolarHBondContact N-OD1 3.34Å; D346-N368 PolarHBondContact N-OD1 3.45Å; D346-N368 VanDerWaalsContact N-OD1 3.11Å; L347-N368 HydrophobicContact CB-CB 4.12Å; L347-N368 WeakPolarHBondContact CG-OD1 3.47Å; L347-N368 PolarHBondContact N-OD1 3.01Å; L365-N368 PolarHBondContact O-ND2 2.97Å; A366-N368 VanDerWaalsContact C-N 3.27Å; A366-N368 PolarHBondContact O-N 2.68Å; A366-N368 PolarHBondContact O-ND2 2.91Å; N368-I370 HydrophobicContact CB-CD1 4.08Å; N368-I370 HydrophobicContact CB-CG1 4.06Å; N368-N390 PolarHBondContact N-O 3.31Å; N368-N391 WeakPolarHBondContact CA-OD1 3.33Å; N368-N391 WeakPolarHBondContact CB-OD1 3.15Å; N368-N391 PolarHBondContact N-OD1 2.85Å; N368-N391 PolarHBondContact O-OD1 3.48Å
369	K	91.8	Very high	93.1	Very high	94 Å²	94	33 Å²	33	41%	0.409	19%	0.189	S	C	.	.			trans	-116.5	25.4	-177.3	-69.2	162.9	176.7	162.4	0	111.4	D346 L347 L348 T371 N391	D346-K369 VanDerWaalsContact OD1-CE 3.22Å; D346-K369 WeakPolarHBondContact OD1-CE 3.44Å; D346-K369 IonicContact OD1-NZ 2.69Å; D346-K369 PolarHBondContact OD1-NZ 3.22Å; D346-K369 IonicContact OD2-NZ 2.87Å; D346-K369 PolarHBondContact OD2-NZ 3.33Å; L347-K369 CarbonylContact O-C 3.56Å; L347-K369 VanDerWaalsContact O-CA 3.31Å; L347-K369 WeakPolarHBondContact O-CA 3.37Å; L347-K369 PolarHBondContact O-N 2.88Å; L348-K369 HydrophobicContact CD2-CB 3.9Å; L348-K369 HydrophobicContact CD2-CD 4.28Å; K369-T371 PolarHBondContact O-N 3.48Å; K369-N391 PolarHBondContact N-OD1 2.72Å
370	I	95.3	Very high	93.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.179	C	C	.	.			trans	-68.3	122	-174.1	-60	165.5	0	0	0	109.2	L347 L365 N368 D372 N391 C392 L393	L347-I370 HydrophobicContact CB-CG1 4.42Å; L347-I370 WeakPolarHBondContact O-CG1 3.33Å; L347-I370 PolarHBondContact O-N 3.46Å; L365-I370 HydrophobicContact CB-CD1 3.88Å; L365-I370 HydrophobicContact CD1-CD1 4.35Å; L365-I370 HydrophobicContact CD2-CD1 4.31Å; L365-I370 HydrophobicContact CG-CD1 4.42Å; N368-I370 HydrophobicContact CB-CD1 4.08Å; N368-I370 HydrophobicContact CB-CG1 4.06Å; I370-D372 VanDerWaalsContact CG2-O 3.24Å; I370-D372 WeakPolarHBondContact CG2-O 3.39Å; I370-N391 HydrophobicContact CB-CB 4.37Å; I370-N391 VanDerWaalsContact CB-OD1 3.29Å; I370-N391 WeakPolarHBondContact CB-OD1 3.43Å; I370-N391 WeakPolarHBondContact CG1-OD1 3.1Å; I370-N391 PolarHBondContact N-OD1 3.13Å; I370-C392 CarbonylContact O-C 3.56Å; I370-C392 WeakPolarHBondContact O-CA 3.19Å; I370-C392 WeakPolarHBondContact O-CB 3.06Å; I370-C392 PolarHBondContact O-N 3.17Å; I370-L393 HydrophobicContact CG2-CD2 4.17Å; I370-L393 PolarHBondContact O-N 3.17Å
371	T	95	Very high	93.1	Very high	65 Å²	65	37.5 Å²	37.5	40%	0.399	20%	0.204	S	C	.	.			trans	-81.8	-34.3	176.9	53.4	0	0	0	0	112.9	K369 C392 L393	K369-T371 PolarHBondContact O-N 3.48Å; T371-C392 HydrophobicContact CG2-CB 4.38Å; T371-L393 WeakPolarHBondContact O-CA 3.12Å
372	D	95.3	Very high	93.2	Very high	74 Å²	74	40 Å²	40	40%	0.396	22%	0.215	S	C	.	.			trans	-145.7	144.3	-169.2	-51.1	-80.8	0	0	0	112.3	I370 H394	I370-D372 VanDerWaalsContact CG2-O 3.24Å; I370-D372 WeakPolarHBondContact CG2-O 3.39Å; D372-H394 IonicContact OD1-CE1 3.14Å; D372-H394 PolarHBondContact OD1-CE1 3.42Å
373	L	96.3	Very high	93.4	Very high	10 Å²	10	38 Å²	38	5%	0.052	21%	0.206	C	C	.	.			trans	-98.2	116.9	168.5	-178	69.3	0	0	0	108.6	F355 V377 L388 L393 L396 P397 L400	F355-L373 HydrophobicContact CE1-CD1 4.46Å; F355-L373 HydrophobicContact CZ-CD1 4.32Å; L373-V377 HydrophobicContact CD1-CB 4.37Å; L373-V377 HydrophobicContact CD1-CG2 4.37Å; L373-V377 HydrophobicContact CD2-CB 4.45Å; L373-V377 HydrophobicContact CD2-CG1 4.22Å; L373-V377 HydrophobicContact CD2-CG2 4.31Å; L373-V377 HydrophobicContact CG-CB 4.33Å; L373-V377 HydrophobicContact CG-CG1 4.33Å; L373-L388 HydrophobicContact CD2-CD1 4.14Å; L373-L393 HydrophobicContact CB-CD2 4.4Å; L373-L396 HydrophobicContact CB-CD2 4.42Å; L373-L396 HydrophobicContact CD2-CD2 4.11Å; L373-P397 HydrophobicContact CB-CG 4.38Å; L373-P397 HydrophobicContact CD2-CG 4.19Å; L373-P397 HydrophobicContact CG-CG 4.2Å; L373-P397 VanDerWaalsContact O-CD 3.29Å; L373-P397 WeakPolarHBondContact O-CD 3.43Å; L373-P397 VanDerWaalsContact O-CG 3.3Å; L373-P397 WeakPolarHBondContact O-CG 3.27Å; L373-L400 HydrophobicContact CD2-CD1 4.43Å; L373-L400 HydrophobicContact CD2-CD2 4.23Å
374	P	95.4	Very high	93.4	Very high	39 Å²	39	39.1 Å²	39.1	25%	0.253	21%	0.214	S	C	.	.			trans	-75.8	151.5	-175.3	29.5	-35.5	0	0	0	112.6	C350 F355 A376 V377	C350-P374 HydrophobicContact CB-CG 4.3Å; F355-P374 HydrophobicContact CD2-CG 4.23Å; F355-P374 HydrophobicContact CE2-CG 3.41Å; F355-P374 VanDerWaalsContact CE2-CG 3.41Å; F355-P374 HydrophobicContact CZ-CG 3.72Å; P374-A376 PolarHBondContact O-N 2.94Å; P374-V377 PolarHBondContact O-N 3.33Å
375	P	95.4	Very high	93.3	Very high	69 Å²	69	39.6 Å²	39.6	45%	0.448	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-51.9	-21.2	175.8	-32.3	38	0	0	0	116	V377 A378 P397 E399	P375-V377 PolarHBondContact O-N 3.35Å; P375-A378 PolarHBondContact O-N 2.97Å; P375-P397 HydrophobicContact CG-CB 4.27Å; P375-E399 HydrophobicContact CB-CB 4.28Å; P375-E399 HydrophobicContact CB-CG 4.02Å
376	A	95.3	Very high	93.3	Very high	32 Å²	32	39.6 Å²	39.6	26%	0.264	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-55.4	-18.3	173.5	0	0	0	0	0	114.1	F355 P374 A378 K379	F355-A376 HydrophobicContact CB-CB 3.92Å; F355-A376 HydrophobicContact CD2-CB 3.85Å; F355-A376 HydrophobicContact CG-CB 3.87Å; P374-A376 PolarHBondContact O-N 2.94Å; A376-A378 PolarHBondContact O-N 3.39Å; A376-A378 VanDerWaalsContact O-N 3.13Å; A376-K379 WeakPolarHBondContact O-CB 3.28Å; A376-K379 PolarHBondContact O-N 3.27Å; A376-K379 VanDerWaalsContact O-N 3.08Å
377	V	95.6	Very high	93.4	Very high	1 Å²	1	41 Å²	41	1%	0.006	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-53.7	-28.9	174.2	69.9	0	0	0	0	113.6	F355 L373 P374 P375 K379 L380 P397 L400	F355-V377 HydrophobicContact CD1-CB 4.25Å; F355-V377 HydrophobicContact CE1-CB 3.95Å; F355-V377 HydrophobicContact CE1-CG2 4.19Å; L373-V377 HydrophobicContact CD1-CB 4.37Å; L373-V377 HydrophobicContact CD1-CG2 4.37Å; L373-V377 HydrophobicContact CD2-CB 4.45Å; L373-V377 HydrophobicContact CD2-CG1 4.22Å; L373-V377 HydrophobicContact CD2-CG2 4.31Å; L373-V377 HydrophobicContact CG-CB 4.33Å; L373-V377 HydrophobicContact CG-CG1 4.33Å; P374-V377 PolarHBondContact O-N 3.33Å; P375-V377 PolarHBondContact O-N 3.35Å; V377-K379 PolarHBondContact O-N 3.43Å; V377-L380 WeakPolarHBondContact O-CB 3.34Å; V377-L380 PolarHBondContact O-N 3.11Å; V377-P397 HydrophobicContact CG1-CG 3.99Å; V377-L400 HydrophobicContact CG1-CB 4.17Å; V377-L400 HydrophobicContact CG1-CD1 4.09Å; V377-L400 HydrophobicContact CG2-CD1 3.83Å
378	A	93.9	Very high	93.9	Very high	22 Å²	22	39 Å²	39	18%	0.182	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-59.7	-12.4	175.8	0	0	0	0	0	115.3	P375 A376 E399 V402	P375-A378 PolarHBondContact O-N 2.97Å; A376-A378 PolarHBondContact O-N 3.39Å; A376-A378 VanDerWaalsContact O-N 3.13Å; A378-E399 HydrophobicContact CB-CB 4.09Å; A378-E399 WeakPolarHBondContact CB-O 3.31Å; A378-V402 HydrophobicContact CB-CB 3.92Å; A378-V402 HydrophobicContact CB-CG1 4.25Å; A378-V402 HydrophobicContact CB-CG2 4.08Å
379	K	95.5	Very high	93.8	Very high	102 Å²	102	40.6 Å²	40.6	44%	0.443	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-73.4	-26.9	170.8	-66.2	-173.6	173.4	-166.6	0	112.9	F355 E358 A376 V377 K381	F355-K379 VanDerWaalsContact O-CB 3.25Å; F355-K379 WeakPolarHBondContact O-CB 3.31Å; F355-K379 WeakPolarHBondContact O-CD 3.45Å; E358-K379 HydrophobicContact CG-CB 4.47Å; A376-K379 WeakPolarHBondContact O-CB 3.28Å; A376-K379 PolarHBondContact O-N 3.27Å; A376-K379 VanDerWaalsContact O-N 3.08Å; V377-K379 PolarHBondContact O-N 3.43Å; K379-K381 PolarHBondContact O-N 3.06Å
380	L	95.6	Very high	93.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.203	C	C	.	.			trans	-81	60.4	-179.1	-54.9	-175.3	0	0	0	110.9	L354 F355 L357 L360 L363 V377 N382 L383 C403	L354-L380 HydrophobicContact CD2-CD1 4.32Å; F355-L380 HydrophobicContact CD1-CD1 3.86Å; F355-L380 HydrophobicContact CD1-CG 4.17Å; F355-L380 HydrophobicContact CE1-CD1 4.28Å; L357-L380 VanDerWaalsContact O-CD2 3.25Å; L357-L380 WeakPolarHBondContact O-CD2 3.13Å; L360-L380 HydrophobicContact CB-CD2 4.42Å; L360-L380 HydrophobicContact CD1-CD2 4.43Å; L363-L380 HydrophobicContact CD2-CD1 4.08Å; V377-L380 WeakPolarHBondContact O-CB 3.34Å; V377-L380 PolarHBondContact O-N 3.11Å; L380-N382 PolarHBondContact O-N 2.9Å; L380-L383 HydrophobicContact CB-CB 4.04Å; L380-L383 HydrophobicContact CB-CD2 4.29Å; L380-L383 HydrophobicContact CD1-CD2 4.33Å; L380-L383 WeakPolarHBondContact O-CB 3.4Å; L380-L383 PolarHBondContact O-N 2.89Å; L380-C403 PolarHBondContact O-SG 3.14Å
381	K	93	Very high	93.5	Very high	124 Å²	124	37 Å²	37	54%	0.539	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.5	-175.1	-65.3	173.4	-177.7	170.1	0	113.5	K379 L383 V402	K379-K381 PolarHBondContact O-N 3.06Å; K381-L383 VanDerWaalsContact C-N 3.26Å; K381-L383 PolarHBondContact O-N 3.42Å; K381-V402 HydrophobicContact CG-CG1 4.4Å
382	N	94.3	Very high	93.4	Very high	83 Å²	83	35.1 Å²	35.1	44%	0.444	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-2.5	177.5	-66.3	-60	0	0	0	113.7	E358 L360 S361 L380 S384	E358-N382 PolarHBondContact O-ND2 3.01Å; L360-N382 CarbonylContact O-C 3.59Å; S361-N382 WeakPolarHBondContact CA-O 3.21Å; S361-N382 WeakPolarHBondContact CB-O 3.27Å; L380-N382 PolarHBondContact O-N 2.9Å; N382-S384 PolarHBondContact O-N 3.1Å
383	L	95.3	Very high	93.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.			trans	-66.5	120.1	-171.7	-167.6	63.6	0	0	0	111.6	L360 L363 L380 K381 V385 L386 H405 L406	L360-L383 PolarHBondContact O-N 3.09Å; L363-L383 HydrophobicContact CB-CD1 3.76Å; L380-L383 HydrophobicContact CB-CB 4.04Å; L380-L383 HydrophobicContact CB-CD2 4.29Å; L380-L383 HydrophobicContact CD1-CD2 4.33Å; L380-L383 WeakPolarHBondContact O-CB 3.4Å; L380-L383 PolarHBondContact O-N 2.89Å; K381-L383 VanDerWaalsContact C-N 3.26Å; K381-L383 PolarHBondContact O-N 3.42Å; L383-V385 WeakPolarHBondContact CD1-O 3.32Å; L383-L386 HydrophobicContact CD2-CB 4.08Å; L383-L386 HydrophobicContact CD2-CD1 4.34Å; L383-L386 HydrophobicContact CD2-CD2 4.01Å; L383-L386 HydrophobicContact CD2-CG 4.37Å; L383-L386 HydrophobicContact CG-CB 4.45Å; L383-H405 CarbonylContact O-C 3.38Å; L383-H405 VanDerWaalsContact O-C 3.28Å; L383-L406 HydrophobicContact CD2-CD1 4.35Å; L383-L406 HydrophobicContact CG-CD1 3.98Å; L383-L406 WeakPolarHBondContact O-CA 3.48Å; L383-L406 PolarHBondContact O-N 3.04Å; L383-L406 VanDerWaalsContact O-N 3.14Å
384	S	92.7	Very high	93.4	Very high	28 Å²	28	36 Å²	36	20%	0.196	20%	0.195	C	C	.	.			trans	-115.1	-30.3	-175.9	74.6	0	0	0	0	113.2	S361 N382 H405 V407 F408	S361-S384 WeakPolarHBondContact O-CA 3.22Å; S361-S384 WeakPolarHBondContact O-CB 3.21Å; S361-S384 PolarHBondContact O-N 3.49Å; S361-S384 PolarHBondContact O-OG 3.4Å; N382-S384 PolarHBondContact O-N 3.1Å; S384-H405 WeakPolarHBondContact CA-O 3.28Å; S384-V407 VanDerWaalsContact O-CG2 3.23Å; S384-V407 WeakPolarHBondContact O-CG2 3.43Å; S384-V407 PolarHBondContact O-N 2.88Å; S384-F408 PolarHBondContact O-N 3.23Å; S384-F408 VanDerWaalsContact O-N 3.11Å
385	V	89.3	Confident	93.4	Very high	32 Å²	32	37.8 Å²	37.8	19%	0.194	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	120.5	177.4	179.5	0	0	0	0	108.2	S361 E362 L363 L383 F408	S361-V385 PolarHBondContact O-N 3.46Å; E362-V385 HydrophobicContact CB-CB 4.32Å; E362-V385 HydrophobicContact CG-CB 4.15Å; E362-V385 HydrophobicContact CG-CG2 4.13Å; L363-V385 PolarHBondContact N-O 3.14Å; L383-V385 WeakPolarHBondContact CD1-O 3.32Å; V385-F408 HydrophobicContact CB-CB 4.48Å; V385-F408 HydrophobicContact CG1-CB 4.25Å; V385-F408 HydrophobicContact CG1-CD1 3.7Å; V385-F408 HydrophobicContact CG1-CE1 4.47Å; V385-F408 HydrophobicContact CG1-CG 4.26Å; V385-F408 HydrophobicContact CG2-CB 4.26Å
386	L	93	Very high	93.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	116.6	174.3	178.8	54.5	0	0	0	109.8	L363 L383 L388 L400 L406 F408 L409 D410	L363-L386 HydrophobicContact CB-CD1 4.21Å; L363-L386 HydrophobicContact CD2-CD1 3.98Å; L363-L386 HydrophobicContact CG-CD1 4.14Å; L363-L386 WeakPolarHBondContact O-CA 3.43Å; L383-L386 HydrophobicContact CD2-CB 4.08Å; L383-L386 HydrophobicContact CD2-CD1 4.34Å; L383-L386 HydrophobicContact CD2-CD2 4.01Å; L383-L386 HydrophobicContact CD2-CG 4.37Å; L383-L386 HydrophobicContact CG-CB 4.45Å; L386-L388 HydrophobicContact CD1-CD1 4.4Å; L386-L388 HydrophobicContact CD1-CD2 4.31Å; L386-L388 HydrophobicContact CD1-CG 4.08Å; L386-L388 HydrophobicContact CD2-CD1 3.9Å; L386-L388 HydrophobicContact CD2-CG 4.45Å; L386-L388 HydrophobicContact CG-CD1 4Å; L386-L388 HydrophobicContact CG-CG 4.02Å; L386-L400 HydrophobicContact CD2-CD1 4.15Å; L386-L406 HydrophobicContact CB-CD1 3.74Å; L386-F408 PolarHBondContact N-O 2.96Å; L386-L409 HydrophobicContact CB-CD1 4.05Å; L386-L409 HydrophobicContact CD2-CD1 3.99Å; L386-L409 HydrophobicContact CG-CD1 3.94Å; L386-L409 WeakPolarHBondContact O-CA 3.34Å; L386-D410 PolarHBondContact O-N 3.49Å
387	N	88.6	Confident	93.4	Very high	32 Å²	32	34.3 Å²	34.3	17%	0.171	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	115.3	174.7	-166.3	-23.2	0	0	0	111.1	L363 L365 A366 Q389	L363-N387 PolarHBondContact O-N 2.84Å; L365-N387 PolarHBondContact N-O 3.14Å; A366-N387 PolarHBondContact N-O 2.87Å; N387-Q389 WeakPolarHBondContact OD1-CB 3.44Å; N387-Q389 PolarHBondContact OD1-N 2.69Å
388	L	94.3	Very high	93.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.204	C	C	.	.			trans	-118.6	12.4	177.5	-66.4	167.1	0	0	0	112.1	L365 L373 L386 N391 L393 L396 L409 D410 L411 N414	L365-L388 HydrophobicContact CB-CD2 4.1Å; L365-L388 HydrophobicContact CD1-CD2 4.28Å; L373-L388 HydrophobicContact CD2-CD1 4.14Å; L386-L388 HydrophobicContact CD1-CD1 4.4Å; L386-L388 HydrophobicContact CD1-CD2 4.31Å; L386-L388 HydrophobicContact CD1-CG 4.08Å; L386-L388 HydrophobicContact CD2-CD1 3.9Å; L386-L388 HydrophobicContact CD2-CG 4.45Å; L386-L388 HydrophobicContact CG-CD1 4Å; L386-L388 HydrophobicContact CG-CG 4.02Å; L388-N391 PolarHBondContact O-ND2 3.12Å; L388-N391 VanDerWaalsContact O-ND2 3.09Å; L388-L393 HydrophobicContact CB-CD1 3.78Å; L388-L393 HydrophobicContact CD1-CD1 3.87Å; L388-L393 HydrophobicContact CD2-CD1 4.28Å; L388-L393 HydrophobicContact CG-CD1 4.19Å; L388-L396 HydrophobicContact CD1-CD2 4.46Å; L388-L409 HydrophobicContact CD1-CD1 4.29Å; L388-D410 CarbonylContact C-O 3.4Å; L388-D410 WeakPolarHBondContact CA-O 3.46Å; L388-D410 PolarHBondContact N-O 3.43Å; L388-L411 HydrophobicContact CB-CD2 4.27Å; L388-L411 HydrophobicContact CD1-CD2 4.09Å; L388-N414 PolarHBondContact O-ND2 2.86Å
389	Q	88.7	Confident	93.4	Very high	44 Å²	44	42.3 Å²	42.3	21%	0.206	21%	0.214	C	C	.	.			trans	-46.7	138.3	177.2	-178.9	-151.6	-103.9	0	0	111.5	A366 N367 N387 N391 D410 S412 F413	A366-Q389 CarbonylContact C-O 3.56Å; A366-Q389 WeakPolarHBondContact CA-O 3.23Å; A366-Q389 HydrophobicContact CB-CB 4.04Å; A366-Q389 WeakPolarHBondContact CB-O 3.3Å; N367-Q389 PolarHBondContact N-O 3.01Å; N367-Q389 PolarHBondContact OD1-NE2 2.77Å; N387-Q389 WeakPolarHBondContact OD1-CB 3.44Å; N387-Q389 PolarHBondContact OD1-N 2.69Å; Q389-N391 PolarHBondContact O-ND2 2.95Å; Q389-D410 PolarHBondContact N-O 2.95Å; Q389-S412 CarbonylContact C-O 3.54Å; Q389-S412 VanDerWaalsContact CA-O 3.27Å; Q389-S412 WeakPolarHBondContact CA-O 3.48Å; Q389-F413 HydrophobicContact CG-CD2 4.1Å
390	N	88.1	Confident	93.4	Very high	12 Å²	12	37.4 Å²	37.4	6%	0.064	19%	0.193	C	C	.	.	S	Bend	trans	57.7	60.9	171.5	-172.1	32.5	0	0	0	112.2	N367 N368 S412 F413 R990 G993 T995	N367-N390 CarbonylContact C-O 3.55Å; N367-N390 WeakPolarHBondContact CA-O 3.17Å; N367-N390 PolarHBondContact N-O 2.97Å; N367-N390 VanDerWaalsContact OD1-CB 3.31Å; N367-N390 WeakPolarHBondContact OD1-CB 3.35Å; N367-N390 PolarHBondContact OD1-ND2 3.21Å; N368-N390 PolarHBondContact N-O 3.31Å; N390-S412 PolarHBondContact N-O 3.13Å; N390-F413 WeakPolarHBondContact CA-O 3.24Å; N390-F413 HydrophobicContact CB-CB 4.23Å; N390-R990 VanDerWaalsContact OD1-CZ 3.25Å; N390-R990 PolarHBondContact OD1-NH1 3.25Å; N390-R990 PolarHBondContact OD1-NH2 3.18Å; N390-G993 PolarHBondContact ND2-O 3.29Å; N390-T995 HydrophobicContact CB-CG2 3.85Å; N390-T995 WeakPolarHBondContact ND2-CG2 3.06Å
391	N	92.5	Very high	93.3	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.032	21%	0.207	C	C	.	.	S	Bend	trans	-127	-163.9	171	-85.4	-77.6	0	0	0	109	L365 N368 K369 I370 L388 Q389 L393 N414	L365-N391 PolarHBondContact O-ND2 3.42Å; N368-N391 WeakPolarHBondContact CA-OD1 3.33Å; N368-N391 WeakPolarHBondContact CB-OD1 3.15Å; N368-N391 PolarHBondContact N-OD1 2.85Å; N368-N391 PolarHBondContact O-OD1 3.48Å; K369-N391 PolarHBondContact N-OD1 2.72Å; I370-N391 HydrophobicContact CB-CB 4.37Å; I370-N391 VanDerWaalsContact CB-OD1 3.29Å; I370-N391 WeakPolarHBondContact CB-OD1 3.43Å; I370-N391 WeakPolarHBondContact CG1-OD1 3.1Å; I370-N391 PolarHBondContact N-OD1 3.13Å; L388-N391 PolarHBondContact O-ND2 3.12Å; L388-N391 VanDerWaalsContact O-ND2 3.09Å; Q389-N391 PolarHBondContact O-ND2 2.95Å; N391-L393 HydrophobicContact CB-CG 4.31Å; N391-N414 VanDerWaalsContact CA-OD1 3.32Å; N391-N414 WeakPolarHBondContact CA-OD1 3.36Å; N391-N414 WeakPolarHBondContact CB-OD1 3.49Å; N391-N414 PolarHBondContact N-OD1 3.32Å; N391-N414 PolarHBondContact O-OD1 3.05Å
392	C	94.3	Very high	93.3	Very high	27 Å²	27	36.6 Å²	36.6	18%	0.182	20%	0.2	C	C	.	.			trans	-112.4	21.5	178.7	-67.4	0	0	0	0	113	I370 T371 R415	I370-C392 CarbonylContact O-C 3.56Å; I370-C392 WeakPolarHBondContact O-CA 3.19Å; I370-C392 WeakPolarHBondContact O-CB 3.06Å; I370-C392 PolarHBondContact O-N 3.17Å; T371-C392 HydrophobicContact CG2-CB 4.38Å; C392-R415 PolarHBondContact SG-NH2 2.87Å
393	L	96.4	Very high	93.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.179	C	C	.	.			trans	-63.7	137.5	-178.5	-59.9	169.5	0	0	0	111.4	I370 T371 L373 L388 N391 L396 N414 R415 F416	I370-L393 HydrophobicContact CG2-CD2 4.17Å; I370-L393 PolarHBondContact O-N 3.17Å; T371-L393 WeakPolarHBondContact O-CA 3.12Å; L373-L393 HydrophobicContact CB-CD2 4.4Å; L388-L393 HydrophobicContact CB-CD1 3.78Å; L388-L393 HydrophobicContact CD1-CD1 3.87Å; L388-L393 HydrophobicContact CD2-CD1 4.28Å; L388-L393 HydrophobicContact CG-CD1 4.19Å; N391-L393 HydrophobicContact CB-CG 4.31Å; L393-L396 HydrophobicContact CD1-CD2 4.37Å; L393-N414 HydrophobicContact CB-CB 4.22Å; L393-N414 WeakPolarHBondContact CB-OD1 3.49Å; L393-N414 WeakPolarHBondContact CG-OD1 3.12Å; L393-N414 PolarHBondContact N-OD1 3.44Å; L393-N414 VanDerWaalsContact N-OD1 3.08Å; L393-N414 WeakPolarHBondContact O-CB 3.3Å; L393-R415 CarbonylContact O-C 3.45Å; L393-R415 WeakPolarHBondContact O-CA 3.41Å; L393-R415 WeakPolarHBondContact O-CB 3.45Å; L393-R415 PolarHBondContact O-N 2.92Å; L393-F416 HydrophobicContact CB-CE2 4.02Å; L393-F416 HydrophobicContact CB-CZ 3.72Å
394	H	94.7	Very high	93	Very high	102 Å²	102	39.1 Å²	39.1	47%	0.472	21%	0.209	S	C	.	.			trans	-125.9	-15.9	175.3	66.4	-73	0	0	0	112.4	D372 R415 F416	D372-H394 IonicContact OD1-CE1 3.14Å; D372-H394 PolarHBondContact OD1-CE1 3.42Å; H394-R415 HydrophobicContact CB-CB 4.32Å; H394-F416 VanDerWaalsContact C-CD1 3.5Å; H394-F416 VanDerWaalsContact C-CE1 3.47Å; H394-F416 VanDerWaalsContact O-CD1 3.26Å; H394-F416 WeakPolarHBondContact O-CD1 3.33Å
395	V	94.8	Very high	93	Very high	77 Å²	77	41.2 Å²	41.2	47%	0.467	22%	0.216	S	C	.	.			trans	-142.7	161.8	176.6	68.2	0	0	0	0	109.5
396	L	96	Very high	93.2	Very high	12 Å²	12	39.8 Å²	39.8	6%	0.063	21%	0.207	C	C	.	.			trans	-125.1	143.9	169.8	-67.3	176.8	0	0	0	110.1	L373 L388 L393 L400 L411 F416 P420 V422	L373-L396 HydrophobicContact CB-CD2 4.42Å; L373-L396 HydrophobicContact CD2-CD2 4.11Å; L388-L396 HydrophobicContact CD1-CD2 4.46Å; L393-L396 HydrophobicContact CD1-CD2 4.37Å; L396-L400 HydrophobicContact CD1-CD2 4.23Å; L396-L411 HydrophobicContact CD1-CD1 3.75Å; L396-L411 HydrophobicContact CD1-CD2 3.92Å; L396-L411 HydrophobicContact CD2-CD2 4.15Å; L396-F416 HydrophobicContact CD1-CZ 4.41Å; L396-F416 HydrophobicContact CD2-CZ 4.12Å; L396-F416 HydrophobicContact CG-CE1 4.08Å; L396-F416 HydrophobicContact CG-CZ 3.9Å; L396-P420 HydrophobicContact CB-CB 4.44Å; L396-P420 HydrophobicContact CD1-CB 4.08Å; L396-P420 HydrophobicContact CD1-CG 4.24Å; L396-P420 HydrophobicContact CG-CB 4.39Å; L396-V422 HydrophobicContact CB-CG1 3.77Å; L396-V422 HydrophobicContact CD1-CG1 4.04Å
397	P	95.8	Very high	93	Very high	16 Å²	16	43 Å²	43	10%	0.104	23%	0.226	C	C	.	.			trans	-66.5	140.6	175.9	29.7	-35.5	0	0	0	110.6	L373 P375 V377 E399 L400	L373-P397 HydrophobicContact CB-CG 4.38Å; L373-P397 HydrophobicContact CD2-CG 4.19Å; L373-P397 HydrophobicContact CG-CG 4.2Å; L373-P397 VanDerWaalsContact O-CD 3.29Å; L373-P397 WeakPolarHBondContact O-CD 3.43Å; L373-P397 VanDerWaalsContact O-CG 3.3Å; L373-P397 WeakPolarHBondContact O-CG 3.27Å; P375-P397 HydrophobicContact CG-CB 4.27Å; V377-P397 HydrophobicContact CG1-CG 3.99Å; P397-E399 VanDerWaalsContact CB-OE2 3.32Å; P397-E399 WeakPolarHBondContact CB-OE2 3.38Å; P397-E399 PolarHBondContact O-N 2.76Å; P397-L400 HydrophobicContact CG-CB 4.44Å; P397-L400 WeakPolarHBondContact O-CB 3.5Å; P397-L400 PolarHBondContact O-N 3.48Å
398	M	94.3	Very high	93	Very high	104 Å²	104	44.7 Å²	44.7	51%	0.512	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-65.4	-24.7	175.8	-76.3	-59	-53.9	0	0	111.9	L400 S401 A421 V422	M398-L400 PolarHBondContact O-N 3.49Å; M398-S401 VanDerWaalsContact O-CB 3.23Å; M398-S401 WeakPolarHBondContact O-CB 3.33Å; M398-S401 PolarHBondContact O-N 2.75Å; M398-S401 PolarHBondContact O-OG 3.33Å; M398-A421 HydrophobicContact SD-CB 4.45Å; M398-V422 HydrophobicContact CE-CB 4.34Å; M398-V422 HydrophobicContact CE-CG2 4.37Å; M398-V422 HydrophobicContact SD-CB 3.8Å; M398-V422 HydrophobicContact SD-CG2 4.31Å
399	E	95.3	Very high	92.9	Very high	86 Å²	86	44.8 Å²	44.8	40%	0.402	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-63.7	-16.4	176.4	-60.7	90.2	155.3	0	0	113.1	P375 A378 P397 S401 V402	P375-E399 HydrophobicContact CB-CB 4.28Å; P375-E399 HydrophobicContact CB-CG 4.02Å; A378-E399 HydrophobicContact CB-CB 4.09Å; A378-E399 WeakPolarHBondContact CB-O 3.31Å; P397-E399 VanDerWaalsContact CB-OE2 3.32Å; P397-E399 WeakPolarHBondContact CB-OE2 3.38Å; P397-E399 PolarHBondContact O-N 2.76Å; E399-S401 PolarHBondContact O-N 2.92Å; E399-V402 WeakPolarHBondContact O-CB 3.31Å; E399-V402 WeakPolarHBondContact O-CG2 3.46Å; E399-V402 PolarHBondContact O-N 2.93Å; E399-V402 VanDerWaalsContact O-N 3.17Å
400	L	95.6	Very high	92.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-60.7	-22.4	169.7	-177.6	62.3	0	0	0	112.5	L373 V377 L386 L396 P397 M398 V402 C403 L409 V422	L373-L400 HydrophobicContact CD2-CD1 4.43Å; L373-L400 HydrophobicContact CD2-CD2 4.23Å; V377-L400 HydrophobicContact CG1-CB 4.17Å; V377-L400 HydrophobicContact CG1-CD1 4.09Å; V377-L400 HydrophobicContact CG2-CD1 3.83Å; L386-L400 HydrophobicContact CD2-CD1 4.15Å; L396-L400 HydrophobicContact CD1-CD2 4.23Å; P397-L400 HydrophobicContact CG-CB 4.44Å; P397-L400 WeakPolarHBondContact O-CB 3.5Å; P397-L400 PolarHBondContact O-N 3.48Å; M398-L400 PolarHBondContact O-N 3.49Å; L400-V402 PolarHBondContact O-N 3.29Å; L400-V402 VanDerWaalsContact O-N 3.12Å; L400-C403 HydrophobicContact CD1-CB 4.39Å; L400-C403 WeakPolarHBondContact O-CB 3.28Å; L400-C403 PolarHBondContact O-N 3.15Å; L400-L409 HydrophobicContact CD2-CD2 4.22Å; L400-V422 HydrophobicContact CB-CG2 4.14Å; L400-V422 HydrophobicContact CD2-CG1 4.47Å
401	S	92.1	Very high	93.3	Very high	42 Å²	42	43 Å²	43	29%	0.294	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-55.2	-24.4	172.7	58.7	0	0	0	0	114.4	M398 E399 C403 S425	M398-S401 VanDerWaalsContact O-CB 3.23Å; M398-S401 WeakPolarHBondContact O-CB 3.33Å; M398-S401 PolarHBondContact O-N 2.75Å; M398-S401 PolarHBondContact O-OG 3.33Å; E399-S401 PolarHBondContact O-N 2.92Å; S401-C403 PolarHBondContact O-N 3.5Å; S401-S425 WeakPolarHBondContact CB-OG 3.25Å
402	V	94.4	Very high	93.2	Very high	64 Å²	64	42.8 Å²	42.8	39%	0.388	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-70.6	-16.5	178.2	-178.7	0	0	0	0	112.4	A378 K381 E399 L400 E404	A378-V402 HydrophobicContact CB-CB 3.92Å; A378-V402 HydrophobicContact CB-CG1 4.25Å; A378-V402 HydrophobicContact CB-CG2 4.08Å; K381-V402 HydrophobicContact CG-CG1 4.4Å; E399-V402 WeakPolarHBondContact O-CB 3.31Å; E399-V402 WeakPolarHBondContact O-CG2 3.46Å; E399-V402 PolarHBondContact O-N 2.93Å; E399-V402 VanDerWaalsContact O-N 3.17Å; L400-V402 PolarHBondContact O-N 3.29Å; L400-V402 VanDerWaalsContact O-N 3.12Å; V402-E404 PolarHBondContact O-N 3.28Å
403	C	94	Very high	93	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.218	C	C	.	.			trans	-79.1	60.1	172.4	-63.5	0	0	0	0	111.1	L380 L400 S401 H405 L406	L380-C403 PolarHBondContact O-SG 3.14Å; L400-C403 HydrophobicContact CD1-CB 4.39Å; L400-C403 WeakPolarHBondContact O-CB 3.28Å; L400-C403 PolarHBondContact O-N 3.15Å; S401-C403 PolarHBondContact O-N 3.5Å; C403-H405 PolarHBondContact O-N 2.98Å; C403-L406 HydrophobicContact CB-CB 4.35Å; C403-L406 VanDerWaalsContact O-CB 3.26Å; C403-L406 WeakPolarHBondContact O-CB 3.34Å; C403-L406 PolarHBondContact O-N 3.33Å
404	E	88.9	Confident	92.9	Very high	137 Å²	137	42.4 Å²	42.4	64%	0.64	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-11.6	-177.6	-64.7	-177.3	-172.7	0	0	114.7	V402 R428	V402-E404 PolarHBondContact O-N 3.28Å; E404-R428 WeakPolarHBondContact O-CD 3.47Å; E404-R428 WeakPolarHBondContact O-CG 3.37Å; E404-R428 PolarHBondContact O-NE 3.13Å
405	H	92.4	Very high	92.9	Very high	72 Å²	72	44.4 Å²	44.4	33%	0.333	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-2	178.8	-67.8	4.1	0	0	0	113.7	L383 S384 C403 V407 R428	L383-H405 CarbonylContact O-C 3.38Å; L383-H405 VanDerWaalsContact O-C 3.28Å; S384-H405 WeakPolarHBondContact CA-O 3.28Å; C403-H405 PolarHBondContact O-N 2.98Å; H405-V407 PolarHBondContact O-N 3.48Å; H405-R428 PolarHBondContact ND1-NH1 3Å
406	L	92.4	Very high	92.9	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	20%	0.201	C	C	.	.			trans	-69	110.2	-176.2	-160.5	70.7	0	0	0	111.6	L383 L386 C403 L409 L426 R428	L383-L406 HydrophobicContact CD2-CD1 4.35Å; L383-L406 HydrophobicContact CG-CD1 3.98Å; L383-L406 WeakPolarHBondContact O-CA 3.48Å; L383-L406 PolarHBondContact O-N 3.04Å; L383-L406 VanDerWaalsContact O-N 3.14Å; L386-L406 HydrophobicContact CB-CD1 3.74Å; C403-L406 HydrophobicContact CB-CB 4.35Å; C403-L406 VanDerWaalsContact O-CB 3.26Å; C403-L406 WeakPolarHBondContact O-CB 3.34Å; C403-L406 PolarHBondContact O-N 3.33Å; L406-L409 HydrophobicContact CD2-CB 4.03Å; L406-L409 HydrophobicContact CD2-CD2 4Å; L406-L409 HydrophobicContact CD2-CG 4.41Å; L406-L426 HydrophobicContact CD2-CD1 4.12Å; L406-L426 HydrophobicContact CD2-CD2 4.41Å; L406-R428 WeakPolarHBondContact O-CB 3.28Å
407	V	89.4	Confident	92.6	Very high	68 Å²	68	44.7 Å²	44.7	41%	0.412	22%	0.221	S	C	.	.			trans	-107.2	-16.3	178.8	-68.9	0	0	0	0	112.8	S384 H405 R428	S384-V407 VanDerWaalsContact O-CG2 3.23Å; S384-V407 WeakPolarHBondContact O-CG2 3.43Å; S384-V407 PolarHBondContact O-N 2.88Å; H405-V407 PolarHBondContact O-N 3.48Å; V407-R428 HydrophobicContact CG1-CB 4.09Å
408	F	87.6	Confident	92.4	Very high	68 Å²	68	46.3 Å²	46.3	30%	0.298	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	125.5	175.4	-179.4	-85.1	0	0	0	110.6	S384 V385 L386 D410 I433	S384-F408 PolarHBondContact O-N 3.23Å; S384-F408 VanDerWaalsContact O-N 3.11Å; V385-F408 HydrophobicContact CB-CB 4.48Å; V385-F408 HydrophobicContact CG1-CB 4.25Å; V385-F408 HydrophobicContact CG1-CD1 3.7Å; V385-F408 HydrophobicContact CG1-CE1 4.47Å; V385-F408 HydrophobicContact CG1-CG 4.26Å; V385-F408 HydrophobicContact CG2-CB 4.26Å; L386-F408 PolarHBondContact N-O 2.96Å; F408-D410 HydrophobicContact CE1-CB 3.71Å; F408-D410 HydrophobicContact CZ-CB 3.83Å; F408-I433 HydrophobicContact CD2-CD1 4.2Å; F408-I433 HydrophobicContact CE2-CD1 3.57Å; F408-I433 HydrophobicContact CZ-CD1 4.02Å
409	L	92.7	Very high	92.2	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	111.9	175	177.2	54.1	0	0	0	109.5	L386 L388 L400 L406 L411 L423 L426 L429	L386-L409 HydrophobicContact CB-CD1 4.05Å; L386-L409 HydrophobicContact CD2-CD1 3.99Å; L386-L409 HydrophobicContact CG-CD1 3.94Å; L386-L409 WeakPolarHBondContact O-CA 3.34Å; L388-L409 HydrophobicContact CD1-CD1 4.29Å; L400-L409 HydrophobicContact CD2-CD2 4.22Å; L406-L409 HydrophobicContact CD2-CB 4.03Å; L406-L409 HydrophobicContact CD2-CD2 4Å; L406-L409 HydrophobicContact CD2-CG 4.41Å; L409-L411 HydrophobicContact CD1-CD2 4.04Å; L409-L411 HydrophobicContact CD1-CG 4.17Å; L409-L411 HydrophobicContact CD2-CD1 4.15Å; L409-L411 HydrophobicContact CD2-CG 4.47Å; L409-L411 HydrophobicContact CG-CD1 4.14Å; L409-L411 HydrophobicContact CG-CD2 4.35Å; L409-L411 HydrophobicContact CG-CG 3.99Å; L409-L423 HydrophobicContact CD2-CD2 3.64Å; L409-L426 HydrophobicContact CD2-CD1 4Å; L409-L429 HydrophobicContact CB-CD1 3.96Å; L409-L429 HydrophobicContact CB-CD2 4.13Å; L409-L429 HydrophobicContact CD2-CD2 4.42Å
410	D	89.6	Confident	92	Very high	15 Å²	15	38 Å²	38	8%	0.08	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120.1	175	-168.2	-6.8	0	0	0	110.8	L386 L388 Q389 F408 S412	L386-D410 PolarHBondContact O-N 3.49Å; L388-D410 CarbonylContact C-O 3.4Å; L388-D410 WeakPolarHBondContact CA-O 3.46Å; L388-D410 PolarHBondContact N-O 3.43Å; Q389-D410 PolarHBondContact N-O 2.95Å; F408-D410 HydrophobicContact CE1-CB 3.71Å; F408-D410 HydrophobicContact CZ-CB 3.83Å; D410-S412 WeakPolarHBondContact OD1-CB 3.46Å; D410-S412 PolarHBondContact OD1-N 3.12Å; D410-S412 PolarHBondContact OD1-OG 3Å
411	L	95.7	Very high	91.7	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	21%	0.207	C	C	.	.			trans	-118	11.2	-179	-63.8	168.6	0	0	0	111.4	L388 L396 L409 N414 F416 L423 I433 L434 N437	L388-L411 HydrophobicContact CB-CD2 4.27Å; L388-L411 HydrophobicContact CD1-CD2 4.09Å; L396-L411 HydrophobicContact CD1-CD1 3.75Å; L396-L411 HydrophobicContact CD1-CD2 3.92Å; L396-L411 HydrophobicContact CD2-CD2 4.15Å; L409-L411 HydrophobicContact CD1-CD2 4.04Å; L409-L411 HydrophobicContact CD1-CG 4.17Å; L409-L411 HydrophobicContact CD2-CD1 4.15Å; L409-L411 HydrophobicContact CD2-CG 4.47Å; L409-L411 HydrophobicContact CG-CD1 4.14Å; L409-L411 HydrophobicContact CG-CD2 4.35Å; L409-L411 HydrophobicContact CG-CG 3.99Å; L411-N414 PolarHBondContact O-ND2 2.69Å; L411-F416 HydrophobicContact CB-CD2 4.47Å; L411-F416 HydrophobicContact CB-CE2 3.99Å; L411-F416 HydrophobicContact CD2-CE2 4.02Å; L411-F416 HydrophobicContact CD2-CZ 4.19Å; L411-F416 HydrophobicContact CG-CE2 4.4Å; L411-L423 HydrophobicContact CD1-CD1 4.24Å; L411-L423 HydrophobicContact CD1-CD2 4.13Å; L411-I433 PolarHBondContact N-O 3.06Å; L411-L434 HydrophobicContact CB-CD2 3.72Å; L411-L434 HydrophobicContact CD1-CD2 3.86Å; L411-L434 HydrophobicContact CG-CD2 4.46Å; L411-N437 PolarHBondContact O-ND2 3.42Å
412	S	91.2	Very high	91.6	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.021	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	147.9	-177.7	-54.3	0	0	0	0	112.3	Q389 N390 D410 N414 I433 N435	Q389-S412 CarbonylContact C-O 3.54Å; Q389-S412 VanDerWaalsContact CA-O 3.27Å; Q389-S412 WeakPolarHBondContact CA-O 3.48Å; N390-S412 PolarHBondContact N-O 3.13Å; D410-S412 WeakPolarHBondContact OD1-CB 3.46Å; D410-S412 PolarHBondContact OD1-N 3.12Å; D410-S412 PolarHBondContact OD1-OG 3Å; S412-N414 VanDerWaalsContact C-N 3.3Å; S412-N414 PolarHBondContact O-N 2.82Å; S412-N414 PolarHBondContact O-ND2 3.28Å; S412-I433 PolarHBondContact N-O 3.15Å; S412-I433 WeakPolarHBondContact OG-CG2 3.48Å; S412-N435 CarbonylContact C-O 3.39Å; S412-N435 WeakPolarHBondContact CA-O 3.46Å; S412-N435 WeakPolarHBondContact CB-O 3.32Å; S412-N435 PolarHBondContact OG-ND2 3.14Å
413	F	90.5	Very high	91.4	Very high	12 Å²	12	35.1 Å²	35.1	5%	0.053	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	62	32.2	172.7	-50.7	-72.4	0	0	0	114.6	Q389 N390 N435 G436 R990 T995 V996	Q389-F413 HydrophobicContact CG-CD2 4.1Å; N390-F413 WeakPolarHBondContact CA-O 3.24Å; N390-F413 HydrophobicContact CB-CB 4.23Å; F413-N435 PolarHBondContact N-O 3.39Å; F413-G436 WeakPolarHBondContact CA-O 3.37Å; F413-R990 PolarHBondContact O-NH2 3.39Å; F413-T995 HydrophobicContact CD2-CG2 4.5Å; F413-V996 WeakPolarHBondContact CZ-O 3.31Å
414	N	93.6	Very high	90.8	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.037	19%	0.189	C	C	.	.	S	Bend	trans	-97.5	-148.5	171.4	-81.3	-78.1	0	0	0	110	L388 N391 L393 L411 S412 F416 N437	L388-N414 PolarHBondContact O-ND2 2.86Å; N391-N414 VanDerWaalsContact CA-OD1 3.32Å; N391-N414 WeakPolarHBondContact CA-OD1 3.36Å; N391-N414 WeakPolarHBondContact CB-OD1 3.49Å; N391-N414 PolarHBondContact N-OD1 3.32Å; N391-N414 PolarHBondContact O-OD1 3.05Å; L393-N414 HydrophobicContact CB-CB 4.22Å; L393-N414 WeakPolarHBondContact CB-OD1 3.49Å; L393-N414 WeakPolarHBondContact CG-OD1 3.12Å; L393-N414 PolarHBondContact N-OD1 3.44Å; L393-N414 VanDerWaalsContact N-OD1 3.08Å; L393-N414 WeakPolarHBondContact O-CB 3.3Å; L411-N414 PolarHBondContact O-ND2 2.69Å; S412-N414 VanDerWaalsContact C-N 3.3Å; S412-N414 PolarHBondContact O-N 2.82Å; S412-N414 PolarHBondContact O-ND2 3.28Å; N414-F416 HydrophobicContact CB-CD2 3.79Å; N414-F416 HydrophobicContact CB-CE2 3.71Å; N414-N437 VanDerWaalsContact CA-OD1 3.26Å; N414-N437 WeakPolarHBondContact CA-OD1 3.06Å; N414-N437 VanDerWaalsContact CB-OD1 3.28Å; N414-N437 WeakPolarHBondContact CB-OD1 3.26Å; N414-N437 PolarHBondContact N-OD1 2.93Å; N414-N437 PolarHBondContact O-OD1 2.86Å
415	R	94	Very high	90.7	Very high	144 Å²	144	33.3 Å²	33.3	54%	0.543	18%	0.175	S	C	.	.			trans	-128.6	26.3	-176	-55.3	-177.8	-176.7	-174.5	2.5	113.4	C392 L393 H394 D417 N437	C392-R415 PolarHBondContact SG-NH2 2.87Å; L393-R415 CarbonylContact O-C 3.45Å; L393-R415 WeakPolarHBondContact O-CA 3.41Å; L393-R415 WeakPolarHBondContact O-CB 3.45Å; L393-R415 PolarHBondContact O-N 2.92Å; H394-R415 HydrophobicContact CB-CB 4.32Å; R415-D417 PolarHBondContact O-N 2.81Å; R415-N437 PolarHBondContact N-OD1 3.16Å
416	F	94.6	Very high	90.6	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.009	16%	0.161	C	C	.	.			trans	-69.5	127.7	-179.7	-64.6	-73.4	0	0	0	111.4	L393 H394 L396 L411 N414 P420 L434 N437 H438 I439	L393-F416 HydrophobicContact CB-CE2 4.02Å; L393-F416 HydrophobicContact CB-CZ 3.72Å; H394-F416 VanDerWaalsContact C-CD1 3.5Å; H394-F416 VanDerWaalsContact C-CE1 3.47Å; H394-F416 VanDerWaalsContact O-CD1 3.26Å; H394-F416 WeakPolarHBondContact O-CD1 3.33Å; L396-F416 HydrophobicContact CD1-CZ 4.41Å; L396-F416 HydrophobicContact CD2-CZ 4.12Å; L396-F416 HydrophobicContact CG-CE1 4.08Å; L396-F416 HydrophobicContact CG-CZ 3.9Å; L411-F416 HydrophobicContact CB-CD2 4.47Å; L411-F416 HydrophobicContact CB-CE2 3.99Å; L411-F416 HydrophobicContact CD2-CE2 4.02Å; L411-F416 HydrophobicContact CD2-CZ 4.19Å; L411-F416 HydrophobicContact CG-CE2 4.4Å; N414-F416 HydrophobicContact CB-CD2 3.79Å; N414-F416 HydrophobicContact CB-CE2 3.71Å; F416-P420 HydrophobicContact CD1-CG 3.54Å; F416-P420 HydrophobicContact CE1-CG 3.57Å; F416-P420 HydrophobicContact CG-CG 4.16Å; F416-P420 HydrophobicContact CZ-CG 4.25Å; F416-L434 HydrophobicContact CD2-CD2 4.39Å; F416-N437 HydrophobicContact CB-CB 4.26Å; F416-N437 WeakPolarHBondContact CD2-OD1 3.38Å; F416-N437 PolarHBondContact N-OD1 2.94Å; F416-N437 VanDerWaalsContact N-OD1 3.15Å; F416-H438 CarbonylContact O-C 3.56Å; F416-H438 WeakPolarHBondContact O-CA 3.49Å; F416-H438 PolarHBondContact O-N 2.81Å; F416-I439 HydrophobicContact CB-CD1 4.48Å; F416-I439 HydrophobicContact CB-CG1 4.39Å; F416-I439 WeakPolarHBondContact O-CG1 3.39Å; F416-I439 PolarHBondContact O-N 2.89Å
417	D	91.5	Very high	90.1	Very high	92 Å²	92	35.6 Å²	35.6	49%	0.492	20%	0.199	S	C	.	.	S	Bend	trans	-90.7	-18.8	175.1	63.5	-6.8	0	0	0	113.1	R415 I439 I440	R415-D417 PolarHBondContact O-N 2.81Å; D417-I439 WeakPolarHBondContact O-CA 3.26Å; D417-I440 PolarHBondContact O-N 2.8Å
418	T	89.9	Confident	90.1	Very high	50 Å²	50	38.9 Å²	38.9	31%	0.307	20%	0.204	S	C	.	.	S	Bend	trans	-144.7	159.9	-172.5	51.8	0	0	0	0	109.2	P420	T418-P420 WeakPolarHBondContact O-CD 3.41Å
419	I	90.5	Very high	90.1	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.015	19%	0.192	C	C	.	.			trans	-72.7	121.9	176.4	-60	-175.2	0	0	0	109	A421 L423 W432 L434 I439 S444	I419-A421 PolarHBondContact O-N 3.32Å; I419-L423 HydrophobicContact CG2-CD1 4.01Å; I419-W432 HydrophobicContact CD1-CE3 4.13Å; I419-W432 HydrophobicContact CD1-CZ3 3.89Å; I419-W432 HydrophobicContact CG2-CE3 3.88Å; I419-W432 HydrophobicContact CG2-CH2 3.98Å; I419-W432 HydrophobicContact CG2-CZ3 3.59Å; I419-L434 HydrophobicContact CG1-CD1 4.35Å; I419-L434 HydrophobicContact CG2-CD1 4.24Å; I419-I439 HydrophobicContact CG1-CD1 4.41Å; I419-I439 HydrophobicContact CG1-CG2 4.11Å; I419-S444 WeakPolarHBondContact O-CB 3.3Å
420	P	91.9	Very high	89.8	Confident	13 Å²	13	39.7 Å²	39.7	8%	0.084	21%	0.211	C	C	.	.			trans	-61.6	126.9	-175.4	-25.6	35.3	0	0	0	112.8	L396 F416 T418 V422 L423	L396-P420 HydrophobicContact CB-CB 4.44Å; L396-P420 HydrophobicContact CD1-CB 4.08Å; L396-P420 HydrophobicContact CD1-CG 4.24Å; L396-P420 HydrophobicContact CG-CB 4.39Å; F416-P420 HydrophobicContact CD1-CG 3.54Å; F416-P420 HydrophobicContact CE1-CG 3.57Å; F416-P420 HydrophobicContact CG-CG 4.16Å; F416-P420 HydrophobicContact CZ-CG 4.25Å; T418-P420 WeakPolarHBondContact O-CD 3.41Å; P420-V422 PolarHBondContact O-N 2.89Å; P420-V422 VanDerWaalsContact O-N 3.09Å; P420-L423 HydrophobicContact CB-CG 4.33Å; P420-L423 WeakPolarHBondContact O-CB 3.07Å; P420-L423 WeakPolarHBondContact O-CG 3.5Å; P420-L423 PolarHBondContact O-N 3.06Å
421	A	88	Confident	89.8	Confident	37 Å²	37	39.4 Å²	39.4	31%	0.306	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-58.4	-29.2	-173	0	0	0	0	0	114.4	M398 I419 L423 N424 V446	M398-A421 HydrophobicContact SD-CB 4.45Å; I419-A421 PolarHBondContact O-N 3.32Å; A421-L423 PolarHBondContact O-N 3.35Å; A421-N424 WeakPolarHBondContact O-CB 3.41Å; A421-N424 PolarHBondContact O-N 3.09Å; A421-N424 VanDerWaalsContact O-N 3.13Å; A421-V446 HydrophobicContact CB-CB 4.42Å; A421-V446 HydrophobicContact CB-CG2 3.75Å
422	V	90.3	Very high	89.6	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.012	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-61.7	-25.4	176.9	72.1	0	0	0	0	112.8	L396 M398 L400 P420 N424 S425	L396-V422 HydrophobicContact CB-CG1 3.77Å; L396-V422 HydrophobicContact CD1-CG1 4.04Å; M398-V422 HydrophobicContact CE-CB 4.34Å; M398-V422 HydrophobicContact CE-CG2 4.37Å; M398-V422 HydrophobicContact SD-CB 3.8Å; M398-V422 HydrophobicContact SD-CG2 4.31Å; L400-V422 HydrophobicContact CB-CG2 4.14Å; L400-V422 HydrophobicContact CD2-CG1 4.47Å; P420-V422 PolarHBondContact O-N 2.89Å; P420-V422 VanDerWaalsContact O-N 3.09Å; V422-N424 PolarHBondContact O-N 3.49Å; V422-S425 PolarHBondContact O-N 3.25Å; V422-S425 PolarHBondContact O-OG 3.47Å
423	L	90.8	Very high	89.6	Confident	7 Å²	7	40.3 Å²	40.3	4%	0.037	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-61.8	-25.9	176.3	-61.9	-174.9	0	0	0	112.9	L409 L411 I419 P420 A421 S425 L426 L429 W432 L434	L409-L423 HydrophobicContact CD2-CD2 3.64Å; L411-L423 HydrophobicContact CD1-CD1 4.24Å; L411-L423 HydrophobicContact CD1-CD2 4.13Å; I419-L423 HydrophobicContact CG2-CD1 4.01Å; P420-L423 HydrophobicContact CB-CG 4.33Å; P420-L423 WeakPolarHBondContact O-CB 3.07Å; P420-L423 WeakPolarHBondContact O-CG 3.5Å; P420-L423 PolarHBondContact O-N 3.06Å; A421-L423 PolarHBondContact O-N 3.35Å; L423-S425 PolarHBondContact O-N 3.38Å; L423-L426 HydrophobicContact CD2-CD1 4.07Å; L423-L429 HydrophobicContact CD2-CD2 4.07Å; L423-W432 HydrophobicContact CB-CZ2 3.79Å; L423-W432 HydrophobicContact CD1-CD2 4.26Å; L423-W432 HydrophobicContact CD1-CG 4.25Å; L423-L434 HydrophobicContact CD1-CD1 4.1Å
424	N	82.1	Confident	89.9	Confident	50 Å²	50	39.8 Å²	39.8	27%	0.267	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-68.2	-17.5	174.8	-60.9	4.9	0	0	0	112.5	A421 V422 S444 V446	A421-N424 WeakPolarHBondContact O-CB 3.41Å; A421-N424 PolarHBondContact O-N 3.09Å; A421-N424 VanDerWaalsContact O-N 3.13Å; V422-N424 PolarHBondContact O-N 3.49Å; N424-S444 PolarHBondContact ND2-OG 2.85Å; N424-S444 VanDerWaalsContact ND2-OG 3.16Å; N424-S444 PolarHBondContact OD1-OG 3.25Å; N424-V446 PolarHBondContact ND2-O 3.42Å
425	S	86.6	Confident	89.8	Confident	48 Å²	48	40 Å²	40	34%	0.336	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-18.6	-177.8	70.1	0	0	0	0	114.4	S401 V422 L423 S427	S401-S425 WeakPolarHBondContact CB-OG 3.25Å; V422-S425 PolarHBondContact O-N 3.25Å; V422-S425 PolarHBondContact O-OG 3.47Å; L423-S425 PolarHBondContact O-N 3.38Å; S425-S427 VanDerWaalsContact C-N 3.29Å; S425-S427 PolarHBondContact O-N 3.02Å
426	L	89.1	Confident	89.6	Confident	9 Å²	9	33.7 Å²	33.7	5%	0.047	19%	0.192	C	C	.	.			trans	-81.6	72.1	-175.9	-67.2	170	0	0	0	110.8	L406 L409 L423 R428 L429	L406-L426 HydrophobicContact CD2-CD1 4.12Å; L406-L426 HydrophobicContact CD2-CD2 4.41Å; L409-L426 HydrophobicContact CD2-CD1 4Å; L423-L426 HydrophobicContact CD2-CD1 4.07Å; L426-R428 PolarHBondContact O-N 3.36Å; L426-L429 HydrophobicContact CB-CB 4.14Å; L426-L429 HydrophobicContact CD1-CD2 4.42Å; L426-L429 VanDerWaalsContact O-CB 3.3Å; L426-L429 WeakPolarHBondContact O-CB 3.36Å; L426-L429 PolarHBondContact O-N 3.03Å
427	S	82.3	Confident	89.5	Confident	114 Å²	114	33.8 Å²	33.8	80%	0.797	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-17	-170.2	61.3	0	0	0	0	116.3	S425	S425-S427 VanDerWaalsContact C-N 3.29Å; S425-S427 PolarHBondContact O-N 3.02Å
428	R	89.3	Confident	89.5	Confident	136 Å²	136	33.7 Å²	33.7	51%	0.513	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-8.2	174.8	-72.4	-159.8	-177.4	175.2	2.2	115	E404 H405 L406 V407 L426 D430	E404-R428 WeakPolarHBondContact O-CD 3.47Å; E404-R428 WeakPolarHBondContact O-CG 3.37Å; E404-R428 PolarHBondContact O-NE 3.13Å; H405-R428 PolarHBondContact ND1-NH1 3Å; L406-R428 WeakPolarHBondContact O-CB 3.28Å; V407-R428 HydrophobicContact CG1-CB 4.09Å; L426-R428 PolarHBondContact O-N 3.36Å; R428-D430 PolarHBondContact O-N 3.02Å
429	L	88.5	Confident	89.6	Confident	11 Å²	11	31.3 Å²	31.3	6%	0.058	18%	0.175	C	C	.	.			trans	-81.2	102.1	-176.9	-173.7	64.2	0	0	0	110.1	L409 L423 L426 S431 L454	L409-L429 HydrophobicContact CB-CD1 3.96Å; L409-L429 HydrophobicContact CB-CD2 4.13Å; L409-L429 HydrophobicContact CD2-CD2 4.42Å; L423-L429 HydrophobicContact CD2-CD2 4.07Å; L426-L429 HydrophobicContact CB-CB 4.14Å; L426-L429 HydrophobicContact CD1-CD2 4.42Å; L426-L429 VanDerWaalsContact O-CB 3.3Å; L426-L429 WeakPolarHBondContact O-CB 3.36Å; L426-L429 PolarHBondContact O-N 3.03Å; L429-S431 WeakPolarHBondContact CD1-O 3.3Å; L429-S431 VanDerWaalsContact CG-O 3.31Å; L429-S431 WeakPolarHBondContact CG-O 3.27Å; L429-S431 PolarHBondContact O-N 3.23Å; L429-L454 WeakPolarHBondContact O-CD1 3.42Å
430	D	85.4	Confident	89.4	Confident	76 Å²	76	35.1 Å²	35.1	41%	0.406	19%	0.194	S	C	.	.			trans	-76.1	-12.7	-179	87.4	-30.5	0	0	0	113.7	R428 R455 K456	R428-D430 PolarHBondContact O-N 3.02Å; D430-R455 HydrophobicContact CB-CG 4.49Å; D430-R455 PolarHBondContact O-N 3.06Å; D430-K456 PolarHBondContact O-N 3.33Å
431	S	89.6	Confident	88.8	Confident	9 Å²	9	36.5 Å²	36.5	6%	0.063	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	124.9	-167.5	43.1	0	0	0	0	112.6	L429 K456	L429-S431 WeakPolarHBondContact CD1-O 3.3Å; L429-S431 VanDerWaalsContact CG-O 3.31Å; L429-S431 WeakPolarHBondContact CG-O 3.27Å; L429-S431 PolarHBondContact O-N 3.23Å; S431-K456 WeakPolarHBondContact CA-O 3.26Å
432	W	92.3	Very high	88.3	Confident	10 Å²	10	34.9 Å²	34.9	4%	0.038	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	116	169.4	-71.1	-3.8	0	0	0	109.4	I419 L423 L434 M452 L454 K456 V457 E458	I419-W432 HydrophobicContact CD1-CE3 4.13Å; I419-W432 HydrophobicContact CD1-CZ3 3.89Å; I419-W432 HydrophobicContact CG2-CE3 3.88Å; I419-W432 HydrophobicContact CG2-CH2 3.98Å; I419-W432 HydrophobicContact CG2-CZ3 3.59Å; L423-W432 HydrophobicContact CB-CZ2 3.79Å; L423-W432 HydrophobicContact CD1-CD2 4.26Å; L423-W432 HydrophobicContact CD1-CG 4.25Å; W432-L434 HydrophobicContact CB-CD1 4.24Å; W432-M452 HydrophobicContact CH2-CE 3.43Å; W432-M452 VanDerWaalsContact CH2-CE 3.43Å; W432-M452 HydrophobicContact CH2-SD 3.92Å; W432-M452 HydrophobicContact CZ2-CE 3.84Å; W432-M452 HydrophobicContact CZ2-SD 3.92Å; W432-M452 HydrophobicContact CZ3-CE 4.09Å; W432-L454 HydrophobicContact CB-CD2 4.34Å; W432-L454 VanDerWaalsContact CD1-CD1 3.45Å; W432-L454 HydrophobicContact CD2-CD1 4.21Å; W432-L454 HydrophobicContact CD2-CD2 3.37Å; W432-L454 HydrophobicContact CD2-CG 4.46Å; W432-L454 HydrophobicContact CE3-CD2 3.61Å; W432-L454 HydrophobicContact CG-CD1 3.84Å; W432-L454 HydrophobicContact CG-CD2 3.7Å; W432-L454 HydrophobicContact CG-CG 4.43Å; W432-L454 HydrophobicContact CH2-CD2 4.45Å; W432-L454 HydrophobicContact CZ2-CD2 4.23Å; W432-L454 HydrophobicContact CZ3-CD2 4.13Å; W432-K456 PolarHBondContact N-O 3.32Å; W432-V457 HydrophobicContact CB-CG2 4.45Å; W432-V457 HydrophobicContact CE3-CG2 4.35Å; W432-E458 PolarHBondContact O-N 3.15Å
433	I	91.9	Very high	87.3	Confident	15 Å²	15	36.8 Å²	36.8	8%	0.077	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	97.2	-175.3	-44.4	179.2	0	0	0	108.6	F408 L411 S412	F408-I433 HydrophobicContact CD2-CD1 4.2Å; F408-I433 HydrophobicContact CE2-CD1 3.57Å; F408-I433 HydrophobicContact CZ-CD1 4.02Å; L411-I433 PolarHBondContact N-O 3.06Å; S412-I433 PolarHBondContact N-O 3.15Å; S412-I433 WeakPolarHBondContact OG-CG2 3.48Å
434	L	94.8	Very high	85.8	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.2	C	C	.	.			trans	-132.2	23.5	-165.6	-74.4	163.6	0	0	0	112.4	L411 F416 I419 L423 W432 N437 I439 E458 L459 N462	L411-L434 HydrophobicContact CB-CD2 3.72Å; L411-L434 HydrophobicContact CD1-CD2 3.86Å; L411-L434 HydrophobicContact CG-CD2 4.46Å; F416-L434 HydrophobicContact CD2-CD2 4.39Å; I419-L434 HydrophobicContact CG1-CD1 4.35Å; I419-L434 HydrophobicContact CG2-CD1 4.24Å; L423-L434 HydrophobicContact CD1-CD1 4.1Å; W432-L434 HydrophobicContact CB-CD1 4.24Å; L434-N437 PolarHBondContact O-ND2 2.85Å; L434-I439 HydrophobicContact CB-CD1 3.87Å; L434-I439 HydrophobicContact CD1-CD1 4.05Å; L434-I439 HydrophobicContact CD2-CD1 4.11Å; L434-I439 HydrophobicContact CG-CD1 4.24Å; L434-E458 CarbonylContact C-O 3.59Å; L434-E458 WeakPolarHBondContact CA-O 3.47Å; L434-E458 PolarHBondContact N-O 2.72Å; L434-L459 HydrophobicContact CB-CD2 3.66Å; L434-L459 HydrophobicContact CD1-CD2 4.15Å; L434-N462 PolarHBondContact O-ND2 2.9Å
435	N	91.5	Very high	84.4	Confident	12 Å²	12	41.8 Å²	41.8	6%	0.064	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	147.6	-179.6	-55.3	-62.4	0	0	0	112.4	S412 F413 N437 E458 R460	S412-N435 CarbonylContact C-O 3.39Å; S412-N435 WeakPolarHBondContact CA-O 3.46Å; S412-N435 WeakPolarHBondContact CB-O 3.32Å; S412-N435 PolarHBondContact OG-ND2 3.14Å; F413-N435 PolarHBondContact N-O 3.39Å; N435-N437 VanDerWaalsContact C-N 3.33Å; N435-N437 PolarHBondContact O-N 3.14Å; N435-N437 PolarHBondContact O-ND2 3.35Å; N435-E458 PolarHBondContact N-O 2.82Å; N435-E458 PolarHBondContact ND2-OE2 3.29Å; N435-E458 VanDerWaalsContact OD1-CB 3.3Å; N435-E458 WeakPolarHBondContact OD1-CB 3.46Å; N435-R460 CarbonylContact C-O 3.09Å; N435-R460 VanDerWaalsContact CA-O 3.23Å; N435-R460 WeakPolarHBondContact CA-O 3.5Å; N435-R460 HydrophobicContact CB-CB 4.39Å; N435-R460 VanDerWaalsContact OD1-CB 3.25Å; N435-R460 WeakPolarHBondContact OD1-CB 3.44Å; N435-R460 PolarHBondContact OD1-N 2.92Å
436	G	90.1	Very high	82.7	Confident	10 Å²	10	43 Å²	43	10%	0.103	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	27.4	170.8	0	0	0	0	0	115.3	F413 R460 H461	F413-G436 WeakPolarHBondContact CA-O 3.37Å; G436-R460 PolarHBondContact N-O 3.24Å; G436-H461 WeakPolarHBondContact CA-O 3.26Å; G436-H461 PolarHBondContact N-O 2.86Å
437	N	93.3	Very high	81.1	Confident	5 Å²	5	44.6 Å²	44.6	3%	0.027	24%	0.24	C	C	.	.	S	Bend	trans	-105.1	-168.7	173.1	-75.4	-77.9	0	0	0	109.7	L411 N414 R415 F416 L434 N435 I439 N462	L411-N437 PolarHBondContact O-ND2 3.42Å; N414-N437 VanDerWaalsContact CA-OD1 3.26Å; N414-N437 WeakPolarHBondContact CA-OD1 3.06Å; N414-N437 VanDerWaalsContact CB-OD1 3.28Å; N414-N437 WeakPolarHBondContact CB-OD1 3.26Å; N414-N437 PolarHBondContact N-OD1 2.93Å; N414-N437 PolarHBondContact O-OD1 2.86Å; R415-N437 PolarHBondContact N-OD1 3.16Å; F416-N437 HydrophobicContact CB-CB 4.26Å; F416-N437 WeakPolarHBondContact CD2-OD1 3.38Å; F416-N437 PolarHBondContact N-OD1 2.94Å; F416-N437 VanDerWaalsContact N-OD1 3.15Å; L434-N437 PolarHBondContact O-ND2 2.85Å; N435-N437 VanDerWaalsContact C-N 3.33Å; N435-N437 PolarHBondContact O-N 3.14Å; N435-N437 PolarHBondContact O-ND2 3.35Å; N437-I439 HydrophobicContact CB-CD1 4.2Å; N437-I439 HydrophobicContact CB-CG1 4.1Å; N437-N462 WeakPolarHBondContact CA-OD1 3.27Å; N437-N462 VanDerWaalsContact CB-OD1 3.23Å; N437-N462 WeakPolarHBondContact CB-OD1 3.32Å; N437-N462 PolarHBondContact N-OD1 3.16Å; N437-N462 WeakPolarHBondContact O-CA 3.32Å; N437-N462 PolarHBondContact O-OD1 3.2Å; N437-N462 VanDerWaalsContact O-OD1 3.12Å
438	H	92.3	Very high	79.6	Confident	89 Å²	89	46.4 Å²	46.4	41%	0.412	24%	0.24	S	C	.	.			trans	-105.1	24.8	-179.4	-63.4	-73.3	0	0	0	112.8	F416 I440 E463	F416-H438 CarbonylContact O-C 3.56Å; F416-H438 WeakPolarHBondContact O-CA 3.49Å; F416-H438 PolarHBondContact O-N 2.81Å; H438-I440 PolarHBondContact O-N 2.78Å; H438-E463 IonicContact CE1-OE1 3.75Å; H438-E463 IonicContact CG-OE1 2.75Å; H438-E463 IonicContact ND1-OE1 3.44Å; H438-E463 PolarHBondContact ND1-OE1 3.36Å
439	I	91.2	Very high	78.1	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.247	C	C	.	.			trans	-71.6	122.4	-167.8	-60	169.8	0	0	0	111.4	F416 D417 I419 L434 N437 N441 L459 N462 E463 I464	F416-I439 HydrophobicContact CB-CD1 4.48Å; F416-I439 HydrophobicContact CB-CG1 4.39Å; F416-I439 WeakPolarHBondContact O-CG1 3.39Å; F416-I439 PolarHBondContact O-N 2.89Å; D417-I439 WeakPolarHBondContact O-CA 3.26Å; I419-I439 HydrophobicContact CG1-CD1 4.41Å; I419-I439 HydrophobicContact CG1-CG2 4.11Å; L434-I439 HydrophobicContact CB-CD1 3.87Å; L434-I439 HydrophobicContact CD1-CD1 4.05Å; L434-I439 HydrophobicContact CD2-CD1 4.11Å; L434-I439 HydrophobicContact CG-CD1 4.24Å; N437-I439 HydrophobicContact CB-CD1 4.2Å; N437-I439 HydrophobicContact CB-CG1 4.1Å; I439-N441 WeakPolarHBondContact CG2-O 3.36Å; I439-L459 HydrophobicContact CB-CD2 4.37Å; I439-L459 HydrophobicContact CD1-CD2 3.64Å; I439-L459 HydrophobicContact CG2-CD2 4.29Å; I439-N462 HydrophobicContact CB-CB 4.34Å; I439-N462 VanDerWaalsContact CB-OD1 3.26Å; I439-N462 WeakPolarHBondContact CB-OD1 3.39Å; I439-N462 WeakPolarHBondContact CG1-OD1 3.36Å; I439-N462 PolarHBondContact N-OD1 2.81Å; I439-E463 CarbonylContact O-C 3.54Å; I439-E463 PolarHBondContact O-N 3.02Å; I439-I464 PolarHBondContact O-N 3.09Å
440	I	86.7	Confident	76.7	Confident	84 Å²	84	49.7 Å²	49.7	43%	0.431	28%	0.28	S	S	.	.			trans	-91.3	-29.8	-175.5	-53.7	178.3	0	0	0	112.4	D417 H438 E463 I464 S465	D417-I440 PolarHBondContact O-N 2.8Å; H438-I440 PolarHBondContact O-N 2.78Å; I440-E463 HydrophobicContact CG1-CB 4.4Å; I440-I464 WeakPolarHBondContact O-CA 3.47Å; I440-S465 PolarHBondContact O-N 3.46Å
441	N	79.9	Confident	75.7	Confident	42 Å²	42	49.7 Å²	49.7	23%	0.225	28%	0.284	C	S	.	.			trans	-150.8	173.6	-174.9	65.9	55.7	0	0	0	113	I439 S443	I439-N441 WeakPolarHBondContact CG2-O 3.36Å; N441-S443 PolarHBondContact OD1-N 2.92Å; N441-S443 PolarHBondContact OD1-O 3.19Å; N441-S443 VanDerWaalsContact OD1-O 3.13Å; N441-S443 PolarHBondContact OD1-OG 3.24Å
442	F	76.9	Confident	74.9	Confident	3 Å²	3	50.9 Å²	50.9	1%	0.013	29%	0.289	C	S	.	.	S	Bend	trans	-88.8	-7	-178	-72.9	-103.3	0	0	0	113.8	S444 V457 L459 I464 L466 A473 L474 L477 L483 I485	F442-S444 PolarHBondContact O-N 2.72Å; F442-V457 HydrophobicContact CE1-CG1 4.19Å; F442-L459 HydrophobicContact CD1-CD1 4.13Å; F442-L459 HydrophobicContact CE1-CD1 3.55Å; F442-L459 HydrophobicContact CE2-CD1 4.31Å; F442-L459 HydrophobicContact CZ-CD1 3.65Å; F442-I464 HydrophobicContact CE2-CD1 4.36Å; F442-I464 HydrophobicContact CE2-CG2 4.35Å; F442-L466 HydrophobicContact CD2-CD2 3.88Å; F442-L466 HydrophobicContact CD2-CG 4.49Å; F442-L466 HydrophobicContact CE2-CD1 3.9Å; F442-L466 HydrophobicContact CE2-CD2 3.88Å; F442-L466 HydrophobicContact CE2-CG 4.11Å; F442-A473 HydrophobicContact CB-CB 4.23Å; F442-L474 HydrophobicContact CD1-CD2 4.25Å; F442-L474 HydrophobicContact CD2-CD2 4.36Å; F442-L474 HydrophobicContact CG-CD2 4.12Å; F442-L477 HydrophobicContact CD1-CD1 3.82Å; F442-L477 HydrophobicContact CE1-CD1 4.5Å; F442-L483 HydrophobicContact CE1-CD1 3.86Å; F442-L483 HydrophobicContact CZ-CD1 3.99Å; F442-L483 HydrophobicContact CZ-CD2 4.49Å; F442-I485 HydrophobicContact CZ-CG2 4.14Å
443	S	68.3	Low	74.3	Confident	41 Å²	41	57 Å²	57	29%	0.287	32%	0.318	S	S	.	.			trans	-88.8	105.2	-178	43.3	0	0	0	0	110.8	N441	N441-S443 PolarHBondContact OD1-N 2.92Å; N441-S443 PolarHBondContact OD1-O 3.19Å; N441-S443 VanDerWaalsContact OD1-O 3.13Å; N441-S443 PolarHBondContact OD1-OG 3.24Å
444	S	59.6	Low	73.8	Confident	5 Å²	5	56.6 Å²	56.6	4%	0.035	32%	0.316	C	S	.	.			trans	-65.9	148.4	150.5	66.4	0	0	0	0	108.5	I419 N424 F442 V446 M447	I419-S444 WeakPolarHBondContact O-CB 3.3Å; N424-S444 PolarHBondContact ND2-OG 2.85Å; N424-S444 VanDerWaalsContact ND2-OG 3.16Å; N424-S444 PolarHBondContact OD1-OG 3.25Å; F442-S444 PolarHBondContact O-N 2.72Å; S444-V446 PolarHBondContact O-N 3.3Å; S444-M447 PolarHBondContact O-N 3.35Å
445	N	52.3	Low	73.4	Confident	158 Å²	158	61.6 Å²	61.6	85%	0.845	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	10.4	-178.6	-68.9	-43.6	0	0	0	114.3
446	V	50.6	Low	73.2	Confident	73 Å²	73	64.2 Å²	64.2	44%	0.442	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137	29.4	-173.1	-155.3	0	0	0	0	111.7	A421 N424 S444 L448	A421-V446 HydrophobicContact CB-CB 4.42Å; A421-V446 HydrophobicContact CB-CG2 3.75Å; N424-V446 PolarHBondContact ND2-O 3.42Å; S444-V446 PolarHBondContact O-N 3.3Å; V446-L448 VanDerWaalsContact C-N 3.32Å; V446-L448 HydrophobicContact CG1-CD1 4.3Å; V446-L448 HydrophobicContact CG1-CG 4.41Å; V446-L448 PolarHBondContact O-N 2.94Å
447	M	56	Low	73.2	Confident	42 Å²	42	63.7 Å²	63.7	21%	0.207	34%	0.341	C	S	.	.			trans	-75.2	83.1	171.3	-63.4	-139.8	81.4	0	0	110.9	S444 G449 M452 A473 T476	S444-M447 PolarHBondContact O-N 3.35Å; M447-G449 PolarHBondContact O-N 3.32Å; M447-M452 HydrophobicContact CE-CE 3.52Å; M447-M452 HydrophobicContact CE-SD 4.03Å; M447-A473 HydrophobicContact SD-CB 3.84Å; M447-T476 HydrophobicContact CE-CG2 4.47Å; M447-T476 WeakPolarHBondContact CE-OG1 3.28Å
448	L	50.9	Low	73.1	Confident	152 Å²	152	64.9 Å²	64.9	80%	0.796	35%	0.346	S	S	*	.			trans	-70.1	35.5	-177.5	-75.2	166.8	0	0	0	114.9	V446 M450	V446-L448 VanDerWaalsContact C-N 3.32Å; V446-L448 HydrophobicContact CG1-CD1 4.3Å; V446-L448 HydrophobicContact CG1-CG 4.41Å; V446-L448 PolarHBondContact O-N 2.94Å; L448-M450 PolarHBondContact O-N 3.26Å
449	G	57.8	Low	73.1	Confident	63 Å²	63	60.7 Å²	60.7	65%	0.649	33%	0.327	S	S	*	.	S	Bend	trans	65.3	-6.1	172.7	0	0	0	0	0	117	M447	M447-G449 PolarHBondContact O-N 3.32Å
450	M	60.5	Low	73.1	Confident	154 Å²	154	61.2 Å²	61.2	76%	0.759	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-84.9	139.5	178.3	-70.5	-166.7	168.2	0	0	111.8	L448 T476	L448-M450 PolarHBondContact O-N 3.26Å; M450-T476 WeakPolarHBondContact O-CG2 3.44Å
451	P	64	Low	73.3	Confident	76 Å²	76	59.6 Å²	59.6	49%	0.494	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-73.4	135.3	178.7	31.3	-34.9	0	0	0	111.2	T476 C478 F479	P451-T476 WeakPolarHBondContact CA-O 3.41Å; P451-C478 WeakPolarHBondContact CB-SG 3.27Å; P451-F479 HydrophobicContact CB-CD2 4.44Å; P451-F479 HydrophobicContact CB-CE2 4.07Å; P451-F479 HydrophobicContact CG-CE2 4.48Å
452	M	73.2	Confident	73.9	Confident	34 Å²	34	58.1 Å²	58.1	17%	0.167	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-98.5	138.1	178	-56.1	178.8	-55.9	0	0	110.2	W432 M447 L454 T476 L477 F479	W432-M452 HydrophobicContact CH2-CE 3.43Å; W432-M452 VanDerWaalsContact CH2-CE 3.43Å; W432-M452 HydrophobicContact CH2-SD 3.92Å; W432-M452 HydrophobicContact CZ2-CE 3.84Å; W432-M452 HydrophobicContact CZ2-SD 3.92Å; W432-M452 HydrophobicContact CZ3-CE 4.09Å; M447-M452 HydrophobicContact CE-CE 3.52Å; M447-M452 HydrophobicContact CE-SD 4.03Å; M452-L454 HydrophobicContact CB-CB 4.34Å; M452-L454 PolarHBondContact O-N 2.76Å; M452-T476 PolarHBondContact N-O 3.17Å; M452-L477 HydrophobicContact CE-CD2 3.48Å; M452-L477 VanDerWaalsContact CE-CD2 3.48Å; M452-L477 HydrophobicContact CE-CG 4.45Å; M452-F479 VanDerWaalsContact O-CD2 3.29Å; M452-F479 WeakPolarHBondContact O-CD2 3.42Å
453	E	77.9	Confident	74.4	Confident	139 Å²	139	60.6 Å²	60.6	65%	0.65	32%	0.323	S	S	*	.			trans	-69.6	14.9	177.7	-60.9	-160.9	174.5	0	0	114.6	R455	E453-R455 WeakPolarHBondContact O-CG 3.23Å; E453-R455 PolarHBondContact O-N 3.48Å
454	L	83	Confident	75.3	Confident	6 Å²	6	58.7 Å²	58.7	3%	0.031	31%	0.309	C	S	.	.			trans	-60.9	120.6	-177.5	-170.4	72.2	0	0	0	111.1	L429 W432 M452 V457 L477 F479 L480	L429-L454 WeakPolarHBondContact O-CD1 3.42Å; W432-L454 HydrophobicContact CB-CD2 4.34Å; W432-L454 VanDerWaalsContact CD1-CD1 3.45Å; W432-L454 HydrophobicContact CD2-CD1 4.21Å; W432-L454 HydrophobicContact CD2-CD2 3.37Å; W432-L454 HydrophobicContact CD2-CG 4.46Å; W432-L454 HydrophobicContact CE3-CD2 3.61Å; W432-L454 HydrophobicContact CG-CD1 3.84Å; W432-L454 HydrophobicContact CG-CD2 3.7Å; W432-L454 HydrophobicContact CG-CG 4.43Å; W432-L454 HydrophobicContact CH2-CD2 4.45Å; W432-L454 HydrophobicContact CZ2-CD2 4.23Å; W432-L454 HydrophobicContact CZ3-CD2 4.13Å; M452-L454 HydrophobicContact CB-CB 4.34Å; M452-L454 PolarHBondContact O-N 2.76Å; L454-V457 HydrophobicContact CD2-CG2 3.47Å; L454-V457 VanDerWaalsContact CD2-CG2 3.47Å; L454-V457 HydrophobicContact CG-CG2 4.37Å; L454-L477 HydrophobicContact CD2-CD2 3.86Å; L454-F479 CarbonylContact O-C 3.55Å; L454-L480 WeakPolarHBondContact O-CA 3.27Å; L454-L480 PolarHBondContact O-N 3.21Å
455	R	85.5	Confident	76.1	Confident	106 Å²	106	61.8 Å²	61.8	40%	0.4	33%	0.331	S	S	.	.			trans	-93.3	-24.5	-174.4	-60.2	-173.6	-177.8	-75.2	-9.5	112.8	D430 E453 T481 H482	D430-R455 HydrophobicContact CB-CG 4.49Å; D430-R455 PolarHBondContact O-N 3.06Å; E453-R455 WeakPolarHBondContact O-CG 3.23Å; E453-R455 PolarHBondContact O-N 3.48Å; R455-T481 CarbonylContact O-C 3.31Å; R455-T481 WeakPolarHBondContact O-CA 3.22Å; R455-T481 PolarHBondContact O-N 3.27Å; R455-T481 PolarHBondContact O-OG1 3.29Å; R455-H482 PolarHBondContact O-N 3.17Å
456	K	87.5	Confident	76.9	Confident	66 Å²	66	55.2 Å²	55.2	29%	0.287	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	136.8	-171.9	-176.6	179	-160	-158.8	0	112.2	D430 S431 W432 E458 H482	D430-K456 PolarHBondContact O-N 3.33Å; S431-K456 WeakPolarHBondContact CA-O 3.26Å; W432-K456 PolarHBondContact N-O 3.32Å; K456-E458 HydrophobicContact CD-CG 4.49Å; K456-E458 WeakPolarHBondContact CE-OE1 3.45Å; K456-E458 HydrophobicContact CG-CG 4.38Å; K456-E458 IonicContact NZ-OE1 3.1Å; K456-E458 PolarHBondContact NZ-OE1 3.15Å; K456-H482 CarbonylContact C-O 3.3Å; K456-H482 WeakPolarHBondContact CA-O 3.31Å; K456-H482 HydrophobicContact CB-CB 4.29Å; K456-H482 HydrophobicContact CG-CB 4.02Å
457	V	90.5	Very high	77.4	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	124.5	170.4	170.7	0	0	0	0	108.3	W432 F442 L454 L459 L480 H482 L483 D484	W432-V457 HydrophobicContact CB-CG2 4.45Å; W432-V457 HydrophobicContact CE3-CG2 4.35Å; F442-V457 HydrophobicContact CE1-CG1 4.19Å; L454-V457 HydrophobicContact CD2-CG2 3.47Å; L454-V457 VanDerWaalsContact CD2-CG2 3.47Å; L454-V457 HydrophobicContact CG-CG2 4.37Å; V457-L459 HydrophobicContact CG1-CD1 3.51Å; V457-L459 HydrophobicContact CG1-CG 3.68Å; V457-L480 HydrophobicContact CB-CD1 4.01Å; V457-L480 HydrophobicContact CG2-CD1 3.65Å; V457-H482 PolarHBondContact N-O 3.02Å; V457-L483 HydrophobicContact CB-CD1 3.97Å; V457-L483 HydrophobicContact CG1-CD1 3.88Å; V457-D484 PolarHBondContact O-N 2.96Å
458	E	91	Very high	77.3	Confident	30 Å²	30	57.8 Å²	57.8	14%	0.14	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	115.1	170.6	-54.3	-174.8	-157.5	0	0	110.3	W432 L434 N435 K456 D484	W432-E458 PolarHBondContact O-N 3.15Å; L434-E458 CarbonylContact C-O 3.59Å; L434-E458 WeakPolarHBondContact CA-O 3.47Å; L434-E458 PolarHBondContact N-O 2.72Å; N435-E458 PolarHBondContact N-O 2.82Å; N435-E458 PolarHBondContact ND2-OE2 3.29Å; N435-E458 VanDerWaalsContact OD1-CB 3.3Å; N435-E458 WeakPolarHBondContact OD1-CB 3.46Å; K456-E458 HydrophobicContact CD-CG 4.49Å; K456-E458 WeakPolarHBondContact CE-OE1 3.45Å; K456-E458 HydrophobicContact CG-CG 4.38Å; K456-E458 IonicContact NZ-OE1 3.1Å; K456-E458 PolarHBondContact NZ-OE1 3.15Å; E458-D484 HydrophobicContact CB-CB 4.43Å; E458-D484 HydrophobicContact CG-CB 4.35Å
459	L	92.6	Very high	77.6	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	32%	0.319	C	S	.	.			trans	-130.9	29.5	178.8	-64.5	162.4	0	0	0	110.4	L434 I439 F442 V457 H461 N462 I464 D484 I485 N488	L434-L459 HydrophobicContact CB-CD2 3.66Å; L434-L459 HydrophobicContact CD1-CD2 4.15Å; I439-L459 HydrophobicContact CB-CD2 4.37Å; I439-L459 HydrophobicContact CD1-CD2 3.64Å; I439-L459 HydrophobicContact CG2-CD2 4.29Å; F442-L459 HydrophobicContact CD1-CD1 4.13Å; F442-L459 HydrophobicContact CE1-CD1 3.55Å; F442-L459 HydrophobicContact CE2-CD1 4.31Å; F442-L459 HydrophobicContact CZ-CD1 3.65Å; V457-L459 HydrophobicContact CG1-CD1 3.51Å; V457-L459 HydrophobicContact CG1-CG 3.68Å; L459-H461 PolarHBondContact O-N 2.8Å; L459-N462 VanDerWaalsContact C-ND2 3.27Å; L459-N462 PolarHBondContact O-ND2 3.13Å; L459-I464 HydrophobicContact CB-CD1 3.79Å; L459-I464 HydrophobicContact CD1-CD1 4.1Å; L459-D484 CarbonylContact C-O 3.38Å; L459-D484 PolarHBondContact N-O 3.3Å; L459-I485 HydrophobicContact CB-CG2 4.45Å; L459-N488 PolarHBondContact O-ND2 3Å
460	R	91.2	Very high	78	Confident	10 Å²	10	52.1 Å²	52.1	4%	0.038	29%	0.293	C	S	.	.			trans	-56.6	137.8	177.6	168.9	-179.8	166.4	-105.4	-0.2	110.4	N435 G436 N462 D484 R486 D487 V996 D997 N1000	N435-R460 CarbonylContact C-O 3.09Å; N435-R460 VanDerWaalsContact CA-O 3.23Å; N435-R460 WeakPolarHBondContact CA-O 3.5Å; N435-R460 HydrophobicContact CB-CB 4.39Å; N435-R460 VanDerWaalsContact OD1-CB 3.25Å; N435-R460 WeakPolarHBondContact OD1-CB 3.44Å; N435-R460 PolarHBondContact OD1-N 2.92Å; G436-R460 PolarHBondContact N-O 3.24Å; R460-N462 PolarHBondContact O-ND2 3.45Å; R460-D484 PolarHBondContact N-O 3.23Å; R460-R486 CarbonylContact C-O 3.46Å; R460-R486 WeakPolarHBondContact CA-O 3.5Å; R460-R486 HydrophobicContact CB-CB 4.32Å; R460-R486 HydrophobicContact CG-CB 3.92Å; R460-R486 WeakPolarHBondContact CG-O 3.35Å; R460-D487 HydrophobicContact CG-CB 4.22Å; R460-D487 IonicContact CZ-OD2 3.71Å; R460-D487 IonicContact NE-OD2 3.78Å; R460-D487 PolarHBondContact NE-OD2 2.88Å; R460-D487 IonicContact NH2-OD2 2.8Å; R460-V996 PolarHBondContact NH1-O 3.28Å; R460-D997 PolarHBondContact NH1-O 3.17Å; R460-D997 VanDerWaalsContact NH1-O 3.15Å; R460-D997 PolarHBondContact NH2-O 3.32Å; R460-N1000 PolarHBondContact NH2-OD1 3.37Å
461	H	90.5	Very high	78.2	Confident	50 Å²	50	46.2 Å²	46.2	23%	0.231	27%	0.268	C	S	.	.	S	Bend	trans	52.8	59.5	-179.7	-159.4	73.8	0	0	0	112.6	G436 L459 R486 D487 N488 Y986	G436-H461 WeakPolarHBondContact CA-O 3.26Å; G436-H461 PolarHBondContact N-O 2.86Å; L459-H461 PolarHBondContact O-N 2.8Å; H461-R486 PolarHBondContact N-O 3.19Å; H461-D487 HydrophobicContact CB-CB 3.99Å; H461-D487 PolarHBondContact ND1-O 3.05Å; H461-N488 PolarHBondContact N-ND2 2.84Å; H461-Y986 AromaticContact CD2-CE1 3.48Å; H461-Y986 VanDerWaalsContact CD2-CE1 3.48Å; H461-Y986 WeakPolarHBondContact CD2-CE1 3.46Å; H461-Y986 AromaticContact CD2-CE2 3.82Å; H461-Y986 AromaticContact CD2-CZ 3.26Å; H461-Y986 PolarHBondContact CD2-OH 2.9Å; H461-Y986 AromaticContact NE2-CD1 3.46Å; H461-Y986 WeakPolarHBondContact NE2-CD1 3.17Å; H461-Y986 AromaticContact NE2-CE1 3.18Å; H461-Y986 WeakPolarHBondContact NE2-CE1 3.47Å; H461-Y986 AromaticContact NE2-CE2 3.87Å; H461-Y986 AromaticContact NE2-CG 3.95Å; H461-Y986 AromaticContact NE2-CZ 3.41Å
462	N	91.8	Very high	78.3	Confident	11 Å²	11	46.8 Å²	46.8	6%	0.059	27%	0.272	C	S	.	.	S	Bend	trans	-114	-166.4	167.6	-84.5	-94	0	0	0	109	L434 N437 I439 L459 R460 I464 N488	L434-N462 PolarHBondContact O-ND2 2.9Å; N437-N462 WeakPolarHBondContact CA-OD1 3.27Å; N437-N462 VanDerWaalsContact CB-OD1 3.23Å; N437-N462 WeakPolarHBondContact CB-OD1 3.32Å; N437-N462 PolarHBondContact N-OD1 3.16Å; N437-N462 WeakPolarHBondContact O-CA 3.32Å; N437-N462 PolarHBondContact O-OD1 3.2Å; N437-N462 VanDerWaalsContact O-OD1 3.12Å; I439-N462 HydrophobicContact CB-CB 4.34Å; I439-N462 VanDerWaalsContact CB-OD1 3.26Å; I439-N462 WeakPolarHBondContact CB-OD1 3.39Å; I439-N462 WeakPolarHBondContact CG1-OD1 3.36Å; I439-N462 PolarHBondContact N-OD1 2.81Å; L459-N462 VanDerWaalsContact C-ND2 3.27Å; L459-N462 PolarHBondContact O-ND2 3.13Å; R460-N462 PolarHBondContact O-ND2 3.45Å; N462-I464 HydrophobicContact CB-CG1 4.14Å; N462-N488 WeakPolarHBondContact CA-OD1 3.27Å; N462-N488 WeakPolarHBondContact CB-OD1 3.13Å; N462-N488 PolarHBondContact N-ND2 3.49Å; N462-N488 PolarHBondContact N-OD1 3.12Å; N462-N488 PolarHBondContact O-OD1 3.02Å
463	E	89	Confident	78.1	Confident	55 Å²	55	45.5 Å²	45.5	26%	0.257	27%	0.267	S	S	.	.			trans	-107.9	32.8	-179.7	-61.9	-168	-134.5	0	0	111.9	H438 I439 I440 S465 R490	H438-E463 IonicContact CE1-OE1 3.75Å; H438-E463 IonicContact CG-OE1 2.75Å; H438-E463 IonicContact ND1-OE1 3.44Å; H438-E463 PolarHBondContact ND1-OE1 3.36Å; I439-E463 CarbonylContact O-C 3.54Å; I439-E463 PolarHBondContact O-N 3.02Å; I440-E463 HydrophobicContact CG1-CB 4.4Å; E463-S465 PolarHBondContact O-N 2.91Å; E463-R490 IonicContact OE2-CZ 3.86Å; E463-R490 IonicContact OE2-NH1 3.19Å; E463-R490 PolarHBondContact OE2-NH1 2.86Å; E463-R490 IonicContact OE2-NH2 2.72Å; E463-R490 PolarHBondContact OE2-NH2 2.93Å
464	I	85.6	Confident	77.8	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	24%	0.237	C	C	.	.			trans	-56.9	128.1	-169.5	-66.7	173.4	0	0	0	112.3	I439 I440 F442 L459 N462 L466 I485 N488 I491	I439-I464 PolarHBondContact O-N 3.09Å; I440-I464 WeakPolarHBondContact O-CA 3.47Å; F442-I464 HydrophobicContact CE2-CD1 4.36Å; F442-I464 HydrophobicContact CE2-CG2 4.35Å; L459-I464 HydrophobicContact CB-CD1 3.79Å; L459-I464 HydrophobicContact CD1-CD1 4.1Å; N462-I464 HydrophobicContact CB-CG1 4.14Å; I464-L466 HydrophobicContact CG2-CB 4.48Å; I464-L466 HydrophobicContact CG2-CD1 3.9Å; I464-L466 HydrophobicContact CG2-CG 3.74Å; I464-I485 HydrophobicContact CD1-CB 4.17Å; I464-I485 HydrophobicContact CD1-CG2 3.71Å; I464-N488 HydrophobicContact CB-CB 4.44Å; I464-N488 WeakPolarHBondContact CB-OD1 3.44Å; I464-N488 WeakPolarHBondContact CD1-OD1 3.42Å; I464-N488 WeakPolarHBondContact CG1-OD1 3.41Å; I464-N488 PolarHBondContact N-OD1 3.11Å; I464-I491 HydrophobicContact CB-CD1 4.16Å; I464-I491 HydrophobicContact CG2-CD1 3.96Å; I464-I491 HydrophobicContact CG2-CG1 4.43Å; I464-I491 WeakPolarHBondContact O-CG1 3.18Å
465	S	77.7	Confident	77.2	Confident	70 Å²	70	43.2 Å²	43.2	49%	0.49	26%	0.259	S	S	.	.			trans	-121.5	97.3	168.6	-174.4	0	0	0	0	109.6	I440 E463 C467 N470	I440-S465 PolarHBondContact O-N 3.46Å; E463-S465 PolarHBondContact O-N 2.91Å; S465-C467 PolarHBondContact O-N 3.46Å; S465-N470 PolarHBondContact O-ND2 3.15Å
466	L	69	Low	76.6	Confident	21 Å²	21	38.6 Å²	38.6	11%	0.11	24%	0.243	C	C	.	.			trans	-88.1	97.2	177.6	-84.6	163.5	0	0	0	110.8	F442 I464 N470 L474 L494 L496	F442-L466 HydrophobicContact CD2-CD2 3.88Å; F442-L466 HydrophobicContact CD2-CG 4.49Å; F442-L466 HydrophobicContact CE2-CD1 3.9Å; F442-L466 HydrophobicContact CE2-CD2 3.88Å; F442-L466 HydrophobicContact CE2-CG 4.11Å; I464-L466 HydrophobicContact CG2-CB 4.48Å; I464-L466 HydrophobicContact CG2-CD1 3.9Å; I464-L466 HydrophobicContact CG2-CG 3.74Å; L466-N470 HydrophobicContact CD2-CB 4.03Å; L466-L474 HydrophobicContact CD2-CD1 4.47Å; L466-L494 HydrophobicContact CB-CD1 4.32Å; L466-L494 HydrophobicContact CD1-CD1 3.29Å; L466-L494 HydrophobicContact CG-CD1 4.42Å; L466-L496 HydrophobicContact CD1-CD2 4.21Å
467	C	60.4	Low	76	Confident	72 Å²	72	35.6 Å²	35.6	49%	0.486	23%	0.23	S	C	.	.			trans	-107.5	166.4	169.4	71.9	0	0	0	0	110.9	S465 A469 N470	S465-C467 PolarHBondContact O-N 3.46Å; C467-A469 PolarHBondContact O-N 3.45Å; C467-N470 WeakPolarHBondContact O-CB 3.38Å; C467-N470 PolarHBondContact O-N 3.25Å
468	A	54.2	Low	75.3	Confident	97 Å²	97	36.1 Å²	36.1	80%	0.802	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-57.3	-23	-175.7	0	0	0	0	0	114.5	N470 A471	A468-N470 PolarHBondContact O-N 3.46Å; A468-A471 WeakPolarHBondContact O-CB 3.39Å; A468-A471 PolarHBondContact O-N 3.36Å
469	A	58.2	Low	74.6	Confident	77 Å²	77	38.3 Å²	38.3	64%	0.636	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-63.4	-21.6	174.8	0	0	0	0	0	113.6	C467 A471 P472	C467-A469 PolarHBondContact O-N 3.45Å; A469-A471 VanDerWaalsContact C-N 3.28Å; A469-A471 PolarHBondContact O-N 3.33Å; A469-P472 WeakPolarHBondContact O-CD 3.4Å
470	N	64.6	Low	74.1	Confident	19 Å²	19	38.2 Å²	38.2	10%	0.102	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-80	-8.5	-177.7	-60.4	6	0	0	0	113	S465 L466 C467 A468 A473 L474	S465-N470 PolarHBondContact O-ND2 3.15Å; L466-N470 HydrophobicContact CD2-CB 4.03Å; C467-N470 WeakPolarHBondContact O-CB 3.38Å; C467-N470 PolarHBondContact O-N 3.25Å; A468-N470 PolarHBondContact O-N 3.46Å; N470-A473 PolarHBondContact O-N 2.83Å; N470-A473 VanDerWaalsContact O-N 3.16Å; N470-L474 PolarHBondContact O-N 2.99Å
471	A	64.3	Low	73.9	Confident	29 Å²	29	39.5 Å²	39.5	24%	0.24	25%	0.251	C	S	.	.	H	α-helix	trans	-52.5	-37.8	-177	0	0	0	0	0	115.6	A468 A469 A473 L474 N475 T498	A468-A471 WeakPolarHBondContact O-CB 3.39Å; A468-A471 PolarHBondContact O-N 3.36Å; A469-A471 VanDerWaalsContact C-N 3.28Å; A469-A471 PolarHBondContact O-N 3.33Å; A471-A473 PolarHBondContact O-N 3.33Å; A471-L474 PolarHBondContact O-N 3.37Å; A471-N475 PolarHBondContact O-N 2.93Å; A471-T498 HydrophobicContact CB-CG2 4.19Å
472	P	67.6	Low	73.8	Confident	89 Å²	89	38.9 Å²	38.9	58%	0.578	25%	0.248	S	C	*	.	H	α-helix	trans	-63.5	-39.1	177.7	-23.2	35.6	0	0	0	113.5	A469 L474 N475	A469-P472 WeakPolarHBondContact O-CD 3.4Å; P472-L474 VanDerWaalsContact C-N 3.31Å; P472-L474 PolarHBondContact O-N 2.9Å; P472-N475 WeakPolarHBondContact O-CB 3.41Å; P472-N475 PolarHBondContact O-N 3.35Å
473	A	68.2	Low	73.8	Confident	7 Å²	7	38.5 Å²	38.5	6%	0.058	25%	0.246	C	C	.	.	H	α-helix	trans	-69.8	-29.6	178.8	0	0	0	0	0	112.3	F442 M447 N470 A471 T476	F442-A473 HydrophobicContact CB-CB 4.23Å; M447-A473 HydrophobicContact SD-CB 3.84Å; N470-A473 PolarHBondContact O-N 2.83Å; N470-A473 VanDerWaalsContact O-N 3.16Å; A471-A473 PolarHBondContact O-N 3.33Å; A473-T476 PolarHBondContact O-OG1 3.01Å
474	L	71.4	Confident	73.9	Confident	4 Å²	4	36 Å²	36	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-69	-37.1	172.2	-62.6	-178.5	0	0	0	111.8	F442 L466 N470 A471 P472 T476 L477 L496 L499	F442-L474 HydrophobicContact CD1-CD2 4.25Å; F442-L474 HydrophobicContact CD2-CD2 4.36Å; F442-L474 HydrophobicContact CG-CD2 4.12Å; L466-L474 HydrophobicContact CD2-CD1 4.47Å; N470-L474 PolarHBondContact O-N 2.99Å; A471-L474 PolarHBondContact O-N 3.37Å; P472-L474 VanDerWaalsContact C-N 3.31Å; P472-L474 PolarHBondContact O-N 2.9Å; L474-T476 VanDerWaalsContact C-N 3.26Å; L474-T476 PolarHBondContact O-N 3.39Å; L474-L477 HydrophobicContact CD2-CD1 4.47Å; L474-L477 WeakPolarHBondContact O-CB 3.39Å; L474-L477 PolarHBondContact O-N 2.96Å; L474-L496 HydrophobicContact CD1-CD2 3.94Å; L474-L496 HydrophobicContact CD2-CD2 4.46Å; L474-L499 HydrophobicContact CB-CD2 3.88Å; L474-L499 HydrophobicContact CB-CG 4.17Å; L474-L499 HydrophobicContact CD2-CD1 4.38Å; L474-L499 HydrophobicContact CD2-CD2 4.33Å; L474-L499 HydrophobicContact CD2-CG 4.42Å; L474-L499 VanDerWaalsContact O-CD2 3.25Å; L474-L499 WeakPolarHBondContact O-CD2 3.33Å
475	N	70.4	Confident	74.2	Confident	93 Å²	93	36 Å²	36	50%	0.497	23%	0.234	S	C	.	.	H	α-helix	trans	-61.3	-33.3	177.8	-68.4	-19.5	0	0	0	112.8	A471 P472 L477	A471-N475 PolarHBondContact O-N 2.93Å; P472-N475 WeakPolarHBondContact O-CB 3.41Å; P472-N475 PolarHBondContact O-N 3.35Å; N475-L477 PolarHBondContact O-N 3.06Å
476	T	73	Confident	74.8	Confident	9 Å²	9	33.9 Å²	33.9	6%	0.055	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-10.1	175.1	35.4	0	0	0	0	114.3	M447 M450 P451 M452 A473 L474	M447-T476 HydrophobicContact CE-CG2 4.47Å; M447-T476 WeakPolarHBondContact CE-OG1 3.28Å; M450-T476 WeakPolarHBondContact O-CG2 3.44Å; P451-T476 WeakPolarHBondContact CA-O 3.41Å; M452-T476 PolarHBondContact N-O 3.17Å; A473-T476 PolarHBondContact O-OG1 3.01Å; L474-T476 VanDerWaalsContact C-N 3.26Å; L474-T476 PolarHBondContact O-N 3.39Å
477	L	75.6	Confident	75.8	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.01	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	29.9	175.8	-65.4	169.7	0	0	0	112.3	F442 M452 L454 L474 N475 F479 L480 L499	F442-L477 HydrophobicContact CD1-CD1 3.82Å; F442-L477 HydrophobicContact CE1-CD1 4.5Å; M452-L477 HydrophobicContact CE-CD2 3.48Å; M452-L477 VanDerWaalsContact CE-CD2 3.48Å; M452-L477 HydrophobicContact CE-CG 4.45Å; L454-L477 HydrophobicContact CD2-CD2 3.86Å; L474-L477 HydrophobicContact CD2-CD1 4.47Å; L474-L477 WeakPolarHBondContact O-CB 3.39Å; L474-L477 PolarHBondContact O-N 2.96Å; N475-L477 PolarHBondContact O-N 3.06Å; L477-F479 PolarHBondContact O-N 2.79Å; L477-L480 HydrophobicContact CB-CB 4.37Å; L477-L480 HydrophobicContact CB-CD2 4.47Å; L477-L480 WeakPolarHBondContact O-CB 3.34Å; L477-L480 PolarHBondContact O-N 2.61Å; L477-L499 HydrophobicContact CB-CD2 4.19Å
478	C	74.6	Confident	77.2	Confident	12 Å²	12	30.4 Å²	30.4	8%	0.081	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-5.7	-172.7	69.6	0	0	0	0	115.9	P451 S501	P451-C478 WeakPolarHBondContact CB-SG 3.27Å; C478-S501 CarbonylContact O-C 3.59Å; C478-S501 WeakPolarHBondContact O-CA 3.34Å; C478-S501 WeakPolarHBondContact O-CB 3.37Å
479	F	77.9	Confident	78.6	Confident	75 Å²	75	28.7 Å²	28.7	33%	0.329	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	1.1	173.2	-67.3	-81.3	0	0	0	113.7	P451 M452 L454 L477 T481	P451-F479 HydrophobicContact CB-CD2 4.44Å; P451-F479 HydrophobicContact CB-CE2 4.07Å; P451-F479 HydrophobicContact CG-CE2 4.48Å; M452-F479 VanDerWaalsContact O-CD2 3.29Å; M452-F479 WeakPolarHBondContact O-CD2 3.42Å; L454-F479 CarbonylContact O-C 3.55Å; L477-F479 PolarHBondContact O-N 2.79Å; F479-T481 PolarHBondContact O-N 3.36Å
480	L	81.6	Confident	79.7	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.165	C	C	.	.			trans	-66.4	112.7	-172.7	-170	67.1	0	0	0	112.7	L454 V457 L477 H482 L483 L499 Q519	L454-L480 WeakPolarHBondContact O-CA 3.27Å; L454-L480 PolarHBondContact O-N 3.21Å; V457-L480 HydrophobicContact CB-CD1 4.01Å; V457-L480 HydrophobicContact CG2-CD1 3.65Å; L477-L480 HydrophobicContact CB-CB 4.37Å; L477-L480 HydrophobicContact CB-CD2 4.47Å; L477-L480 WeakPolarHBondContact O-CB 3.34Å; L477-L480 PolarHBondContact O-N 2.61Å; L480-H482 WeakPolarHBondContact CD1-O 3.46Å; L480-L483 HydrophobicContact CD2-CB 4.01Å; L480-L483 HydrophobicContact CD2-CD1 4.32Å; L480-L483 HydrophobicContact CD2-CD2 4.46Å; L480-L483 HydrophobicContact CD2-CG 4.49Å; L480-L499 HydrophobicContact CD2-CD1 4.4Å; L480-Q519 PolarHBondContact O-NE2 3.17Å
481	T	85.9	Confident	80.8	Confident	36 Å²	36	31.2 Å²	31.2	22%	0.221	16%	0.162	C	C	.	.			trans	-97.4	-13.5	176.6	62.7	0	0	0	0	113.9	R455 F479 T517 Q519 V520	R455-T481 CarbonylContact O-C 3.31Å; R455-T481 WeakPolarHBondContact O-CA 3.22Å; R455-T481 PolarHBondContact O-N 3.27Å; R455-T481 PolarHBondContact O-OG1 3.29Å; F479-T481 PolarHBondContact O-N 3.36Å; T481-T517 HydrophobicContact CG2-CG2 4.31Å; T481-Q519 CarbonylContact O-C 3.59Å; T481-Q519 VanDerWaalsContact O-CA 3.26Å; T481-Q519 WeakPolarHBondContact O-CA 3.02Å; T481-V520 PolarHBondContact O-N 3.25Å
482	H	89.6	Confident	81.9	Confident	37 Å²	37	35 Å²	35	17%	0.171	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	122.5	178.5	-173.5	87.5	0	0	0	111	R455 K456 V457 L480 V520	R455-H482 PolarHBondContact O-N 3.17Å; K456-H482 CarbonylContact C-O 3.3Å; K456-H482 WeakPolarHBondContact CA-O 3.31Å; K456-H482 HydrophobicContact CB-CB 4.29Å; K456-H482 HydrophobicContact CG-CB 4.02Å; V457-H482 PolarHBondContact N-O 3.02Å; L480-H482 WeakPolarHBondContact CD1-O 3.46Å; H482-V520 WeakPolarHBondContact CA-O 3.34Å; H482-V520 WeakPolarHBondContact ND1-CB 3.33Å; H482-V520 WeakPolarHBondContact ND1-CG1 3.47Å
483	L	91	Very high	82.9	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.021	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	118.4	173.7	-179.9	56.5	0	0	0	109.1	F442 V457 L480 I485 L496 L499 V520 L521 N522	F442-L483 HydrophobicContact CE1-CD1 3.86Å; F442-L483 HydrophobicContact CZ-CD1 3.99Å; F442-L483 HydrophobicContact CZ-CD2 4.49Å; V457-L483 HydrophobicContact CB-CD1 3.97Å; V457-L483 HydrophobicContact CG1-CD1 3.88Å; L480-L483 HydrophobicContact CD2-CB 4.01Å; L480-L483 HydrophobicContact CD2-CD1 4.32Å; L480-L483 HydrophobicContact CD2-CD2 4.46Å; L480-L483 HydrophobicContact CD2-CG 4.49Å; L483-I485 HydrophobicContact CD1-CG2 3.76Å; L483-I485 HydrophobicContact CD2-CG2 4.49Å; L483-I485 HydrophobicContact CG-CG2 4.01Å; L483-L496 HydrophobicContact CD2-CD1 3.93Å; L483-L496 HydrophobicContact CD2-CD2 4.31Å; L483-L499 HydrophobicContact CD2-CD1 4.18Å; L483-V520 PolarHBondContact N-O 2.68Å; L483-L521 HydrophobicContact CB-CD1 4.09Å; L483-L521 HydrophobicContact CD2-CD1 4.03Å; L483-L521 HydrophobicContact CG-CD1 4.06Å; L483-N522 PolarHBondContact O-N 2.96Å
484	D	90.8	Very high	83.9	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.016	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	113.6	172.6	-159.7	-41.2	0	0	0	109.9	V457 E458 L459 R460 R486 N522	V457-D484 PolarHBondContact O-N 2.96Å; E458-D484 HydrophobicContact CB-CB 4.43Å; E458-D484 HydrophobicContact CG-CB 4.35Å; L459-D484 CarbonylContact C-O 3.38Å; L459-D484 PolarHBondContact N-O 3.3Å; R460-D484 PolarHBondContact N-O 3.23Å; D484-R486 VanDerWaalsContact CG-NE 3.27Å; D484-R486 WeakPolarHBondContact OD1-CB 3.49Å; D484-R486 VanDerWaalsContact OD1-CG 3.26Å; D484-R486 WeakPolarHBondContact OD1-CG 3.24Å; D484-R486 IonicContact OD1-CZ 3.83Å; D484-R486 PolarHBondContact OD1-N 3.07Å; D484-R486 IonicContact OD1-NE 3.94Å; D484-R486 PolarHBondContact OD1-NE 2.84Å; D484-R486 IonicContact OD1-NH2 3.65Å; D484-R486 IonicContact OD2-CZ 3.16Å; D484-R486 IonicContact OD2-NE 2.68Å; D484-R486 PolarHBondContact OD2-NE 3.07Å; D484-R486 IonicContact OD2-NH2 2.73Å; D484-R486 PolarHBondContact OD2-NH2 3.46Å; D484-N522 HydrophobicContact CB-CB 4.23Å; D484-N522 PolarHBondContact OD2-ND2 2.95Å
485	I	92	Very high	84.6	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.18	C	C	.	.			trans	-126.6	21.1	178.3	55.7	167.9	0	0	0	111.1	F442 L459 I464 L483 N488 I491 L494 L521 N522 C523 C526	F442-I485 HydrophobicContact CZ-CG2 4.14Å; L459-I485 HydrophobicContact CB-CG2 4.45Å; I464-I485 HydrophobicContact CD1-CB 4.17Å; I464-I485 HydrophobicContact CD1-CG2 3.71Å; L483-I485 HydrophobicContact CD1-CG2 3.76Å; L483-I485 HydrophobicContact CD2-CG2 4.49Å; L483-I485 HydrophobicContact CG-CG2 4.01Å; I485-N488 WeakPolarHBondContact O-CB 3.24Å; I485-N488 PolarHBondContact O-ND2 3.38Å; I485-I491 HydrophobicContact CD1-CD1 4.27Å; I485-L494 HydrophobicContact CD1-CD1 4.12Å; I485-L494 HydrophobicContact CD1-CD2 3.59Å; I485-L521 HydrophobicContact CG1-CD1 4.5Å; I485-N522 WeakPolarHBondContact CG1-O 3.36Å; I485-N522 PolarHBondContact N-O 3.26Å; I485-C523 HydrophobicContact CD1-CB 3.94Å; I485-C523 HydrophobicContact CG1-CB 3.82Å; I485-C526 PolarHBondContact O-SG 2.87Å
486	R	90.7	Very high	85.3	Confident	26 Å²	26	32.9 Å²	32.9	10%	0.098	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	158	-178.4	-70.1	179	-69.8	160.6	-5.4	112.5	R460 H461 D484 N488 N522 E524 Q998	R460-R486 CarbonylContact C-O 3.46Å; R460-R486 WeakPolarHBondContact CA-O 3.5Å; R460-R486 HydrophobicContact CB-CB 4.32Å; R460-R486 HydrophobicContact CG-CB 3.92Å; R460-R486 WeakPolarHBondContact CG-O 3.35Å; H461-R486 PolarHBondContact N-O 3.19Å; D484-R486 VanDerWaalsContact CG-NE 3.27Å; D484-R486 WeakPolarHBondContact OD1-CB 3.49Å; D484-R486 VanDerWaalsContact OD1-CG 3.26Å; D484-R486 WeakPolarHBondContact OD1-CG 3.24Å; D484-R486 IonicContact OD1-CZ 3.83Å; D484-R486 PolarHBondContact OD1-N 3.07Å; D484-R486 IonicContact OD1-NE 3.94Å; D484-R486 PolarHBondContact OD1-NE 2.84Å; D484-R486 IonicContact OD1-NH2 3.65Å; D484-R486 IonicContact OD2-CZ 3.16Å; D484-R486 IonicContact OD2-NE 2.68Å; D484-R486 PolarHBondContact OD2-NE 3.07Å; D484-R486 IonicContact OD2-NH2 2.73Å; D484-R486 PolarHBondContact OD2-NH2 3.46Å; R486-N488 PolarHBondContact O-N 3.26Å; R486-N488 PolarHBondContact O-ND2 3.19Å; R486-N488 VanDerWaalsContact O-ND2 3.1Å; R486-N522 HydrophobicContact CG-CB 3.84Å; R486-E524 WeakPolarHBondContact CA-O 3.48Å; R486-E524 WeakPolarHBondContact CD-OE1 3.35Å; R486-E524 VanDerWaalsContact CD-OE2 3.3Å; R486-E524 WeakPolarHBondContact CD-OE2 3.31Å; R486-E524 HydrophobicContact CG-CB 4Å; R486-E524 HydrophobicContact CG-CG 4.47Å; R486-E524 VanDerWaalsContact CG-OE2 3.24Å; R486-E524 WeakPolarHBondContact CG-OE2 3.12Å; R486-Q998 PolarHBondContact NH1-O 3.44Å
487	D	89.2	Confident	85.9	Confident	17 Å²	17	35.1 Å²	35.1	9%	0.091	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	14.8	172.5	-56	-56.5	0	0	0	115.2	R460 H461 N489 E524 R525	R460-D487 HydrophobicContact CG-CB 4.22Å; R460-D487 IonicContact CZ-OD2 3.71Å; R460-D487 IonicContact NE-OD2 3.78Å; R460-D487 PolarHBondContact NE-OD2 2.88Å; R460-D487 IonicContact NH2-OD2 2.8Å; H461-D487 HydrophobicContact CB-CB 3.99Å; H461-D487 PolarHBondContact ND1-O 3.05Å; D487-N489 PolarHBondContact O-N 3.42Å; D487-E524 PolarHBondContact N-O 3.33Å; D487-R525 VanDerWaalsContact CG-NH2 3.29Å; D487-R525 IonicContact OD1-CZ 2.82Å; D487-R525 IonicContact OD1-NE 3.5Å; D487-R525 PolarHBondContact OD1-NE 2.85Å; D487-R525 IonicContact OD1-NH2 3.17Å; D487-R525 PolarHBondContact OD1-NH2 2.87Å; D487-R525 IonicContact OD2-CZ 3.89Å; D487-R525 IonicContact OD2-NH2 3.94Å; D487-R525 PolarHBondContact OD2-NH2 2.7Å
488	N	90.2	Very high	86	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.011	19%	0.185	C	C	.	.			trans	-86.9	76.8	172	-79.4	-99.6	0	0	0	109.5	L459 H461 N462 I464 I485 R486 R490 I491 C526	L459-N488 PolarHBondContact O-ND2 3Å; H461-N488 PolarHBondContact N-ND2 2.84Å; N462-N488 WeakPolarHBondContact CA-OD1 3.27Å; N462-N488 WeakPolarHBondContact CB-OD1 3.13Å; N462-N488 PolarHBondContact N-ND2 3.49Å; N462-N488 PolarHBondContact N-OD1 3.12Å; N462-N488 PolarHBondContact O-OD1 3.02Å; I464-N488 HydrophobicContact CB-CB 4.44Å; I464-N488 WeakPolarHBondContact CB-OD1 3.44Å; I464-N488 WeakPolarHBondContact CD1-OD1 3.42Å; I464-N488 WeakPolarHBondContact CG1-OD1 3.41Å; I464-N488 PolarHBondContact N-OD1 3.11Å; I485-N488 WeakPolarHBondContact O-CB 3.24Å; I485-N488 PolarHBondContact O-ND2 3.38Å; R486-N488 PolarHBondContact O-N 3.26Å; R486-N488 PolarHBondContact O-ND2 3.19Å; R486-N488 VanDerWaalsContact O-ND2 3.1Å; N488-R490 PolarHBondContact O-N 3.48Å; N488-I491 HydrophobicContact CB-CD1 3.65Å; N488-I491 HydrophobicContact CB-CG1 4.13Å; N488-I491 PolarHBondContact O-N 3.06Å; N488-C526 CarbonylContact O-C 3.6Å; N488-C526 VanDerWaalsContact O-CA 3.26Å; N488-C526 WeakPolarHBondContact O-CA 3.25Å; N488-C526 WeakPolarHBondContact O-CB 3.29Å; N488-C526 VanDerWaalsContact O-O 3.1Å
489	N	83.2	Confident	86.1	Confident	61 Å²	61	36.9 Å²	36.9	33%	0.326	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-4.9	-163.1	70	2.6	0	0	0	117.2	D487 C526 S527 E983	D487-N489 PolarHBondContact O-N 3.42Å; N489-C526 CarbonylContact C-O 3.58Å; N489-S527 WeakPolarHBondContact O-CB 3.42Å; N489-S527 PolarHBondContact O-OG 3.05Å; N489-E983 PolarHBondContact ND2-OE1 2.88Å
490	R	81.7	Confident	85.7	Confident	145 Å²	145	35.8 Å²	35.8	55%	0.547	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-6.7	-178.3	-55.3	-171.5	-171.2	153.4	7.7	114.4	E463 N488 I492	E463-R490 IonicContact OE2-CZ 3.86Å; E463-R490 IonicContact OE2-NH1 3.19Å; E463-R490 PolarHBondContact OE2-NH1 2.86Å; E463-R490 IonicContact OE2-NH2 2.72Å; E463-R490 PolarHBondContact OE2-NH2 2.93Å; N488-R490 PolarHBondContact O-N 3.48Å; R490-I492 PolarHBondContact O-N 3.17Å; R490-I492 VanDerWaalsContact O-N 3.11Å
491	I	87.2	Confident	84.6	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.021	19%	0.188	C	C	.	.			trans	-79.2	96	-174.7	-54.6	175	0	0	0	110.3	I464 I485 N488 E493 L494 C526 S527 I528	I464-I491 HydrophobicContact CB-CD1 4.16Å; I464-I491 HydrophobicContact CG2-CD1 3.96Å; I464-I491 HydrophobicContact CG2-CG1 4.43Å; I464-I491 WeakPolarHBondContact O-CG1 3.18Å; I485-I491 HydrophobicContact CD1-CD1 4.27Å; N488-I491 HydrophobicContact CB-CD1 3.65Å; N488-I491 HydrophobicContact CB-CG1 4.13Å; N488-I491 PolarHBondContact O-N 3.06Å; I491-E493 VanDerWaalsContact CG2-O 3.26Å; I491-E493 WeakPolarHBondContact CG2-O 3.17Å; I491-L494 HydrophobicContact CG2-CB 3.91Å; I491-L494 HydrophobicContact CG2-CD1 4.46Å; I491-C526 CarbonylContact C-O 3.57Å; I491-C526 HydrophobicContact CB-CB 4.26Å; I491-C526 HydrophobicContact CD1-CB 4.37Å; I491-C526 PolarHBondContact N-O 3.09Å; I491-C526 VanDerWaalsContact N-O 3.16Å; I491-S527 CarbonylContact O-C 3.45Å; I491-I528 HydrophobicContact CB-CG1 4.19Å; I491-I528 HydrophobicContact CG2-CG1 3.91Å; I491-I528 WeakPolarHBondContact O-CA 3.25Å; I491-I528 WeakPolarHBondContact O-CG1 3.28Å; I491-I528 PolarHBondContact O-N 3.38Å
492	I	87.6	Confident	82.4	Confident	108 Å²	108	40.2 Å²	40.2	55%	0.554	21%	0.207	S	C	*	.	S	Bend	trans	-79.8	-44.1	178.7	-60.3	172.6	0	0	0	111.8	R490 I529	R490-I492 PolarHBondContact O-N 3.17Å; R490-I492 VanDerWaalsContact O-N 3.11Å; I492-I529 HydrophobicContact CG2-CD1 3.97Å; I492-I529 HydrophobicContact CG2-CG1 4.32Å; I492-I529 PolarHBondContact O-N 2.82Å
493	E	89.6	Confident	80.3	Confident	87 Å²	87	43.5 Å²	43.5	41%	0.407	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.7	167.3	-61.2	-144.6	149.7	0	0	109.5	I491 T530 R532	I491-E493 VanDerWaalsContact CG2-O 3.26Å; I491-E493 WeakPolarHBondContact CG2-O 3.17Å; E493-T530 WeakPolarHBondContact CA-O 3.3Å; E493-T530 VanDerWaalsContact OE1-CB 3.27Å; E493-T530 WeakPolarHBondContact OE1-CB 3.36Å; E493-T530 PolarHBondContact OE1-OG1 3.49Å; E493-R532 IonicContact OE1-NH2 2.7Å; E493-R532 IonicContact OE2-CZ 2.87Å; E493-R532 VanDerWaalsContact OE2-CZ 3.24Å; E493-R532 IonicContact OE2-NH1 2.56Å; E493-R532 PolarHBondContact OE2-NH1 3.22Å; E493-R532 IonicContact OE2-NH2 3.34Å; E493-R532 PolarHBondContact OE2-NH2 3.38Å
494	L	88.3	Confident	77.6	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	118.7	175.6	176.6	53.6	0	0	0	109	L466 I485 I491 L496 C523 I528 T530 L531 R532	L466-L494 HydrophobicContact CB-CD1 4.32Å; L466-L494 HydrophobicContact CD1-CD1 3.29Å; L466-L494 HydrophobicContact CG-CD1 4.42Å; I485-L494 HydrophobicContact CD1-CD1 4.12Å; I485-L494 HydrophobicContact CD1-CD2 3.59Å; I491-L494 HydrophobicContact CG2-CB 3.91Å; I491-L494 HydrophobicContact CG2-CD1 4.46Å; L494-L496 HydrophobicContact CD1-CD1 4.02Å; L494-L496 HydrophobicContact CD1-CD2 4.03Å; L494-L496 HydrophobicContact CD1-CG 3.75Å; L494-L496 HydrophobicContact CD2-CD1 4.14Å; L494-L496 HydrophobicContact CG-CD1 4.15Å; L494-L496 HydrophobicContact CG-CG 4.1Å; L494-C523 HydrophobicContact CD2-CB 4.12Å; L494-I528 HydrophobicContact CB-CD1 4.1Å; L494-I528 HydrophobicContact CB-CG1 4.28Å; L494-I528 HydrophobicContact CB-CG2 4.2Å; L494-I528 HydrophobicContact CD2-CD1 3.67Å; L494-T530 PolarHBondContact N-O 2.87Å; L494-L531 HydrophobicContact CB-CD1 3.85Å; L494-L531 HydrophobicContact CD2-CD1 3.61Å; L494-L531 HydrophobicContact CG-CD1 3.72Å; L494-R532 PolarHBondContact O-N 3.05Å
495	D	87	Confident	74.9	Confident	59 Å²	59	58.4 Å²	58.4	32%	0.316	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	114	173.6	-160.1	-26.3	0	0	0	111.4	S497 R532	D495-S497 WeakPolarHBondContact OD1-CB 3.42Å; D495-S497 PolarHBondContact OD1-N 3.03Å; D495-S497 PolarHBondContact OD1-OG 2.63Å; D495-R532 HydrophobicContact CB-CB 4.29Å; D495-R532 WeakPolarHBondContact OD2-CD 3.37Å
496	L	85.8	Confident	72	Confident	4 Å²	4	61.6 Å²	61.6	2%	0.021	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	22	177	-59.3	176.2	0	0	0	110.5	L466 L474 L483 L494 T498 L499 L521 R532 N534	L466-L496 HydrophobicContact CD1-CD2 4.21Å; L474-L496 HydrophobicContact CD1-CD2 3.94Å; L474-L496 HydrophobicContact CD2-CD2 4.46Å; L483-L496 HydrophobicContact CD2-CD1 3.93Å; L483-L496 HydrophobicContact CD2-CD2 4.31Å; L494-L496 HydrophobicContact CD1-CD1 4.02Å; L494-L496 HydrophobicContact CD1-CD2 4.03Å; L494-L496 HydrophobicContact CD1-CG 3.75Å; L494-L496 HydrophobicContact CD2-CD1 4.14Å; L494-L496 HydrophobicContact CG-CD1 4.15Å; L494-L496 HydrophobicContact CG-CG 4.1Å; L496-T498 PolarHBondContact O-N 3.46Å; L496-L499 HydrophobicContact CB-CD1 4.24Å; L496-L499 HydrophobicContact CD2-CD1 3.96Å; L496-L499 HydrophobicContact CG-CD1 4.49Å; L496-L499 PolarHBondContact O-N 3.5Å; L496-L499 VanDerWaalsContact O-N 3.12Å; L496-L521 HydrophobicContact CD1-CD1 3.89Å; L496-L521 HydrophobicContact CD1-CD2 3.69Å; L496-L521 HydrophobicContact CD1-CG 4.49Å; L496-R532 PolarHBondContact N-O 3.05Å; L496-N534 PolarHBondContact O-N 2.84Å
497	S	84.4	Confident	69.2	Low	55 Å²	55	70.1 Å²	70.1	39%	0.385	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.9	179.8	58.9	0	0	0	0	113.5	D495 N534	D495-S497 WeakPolarHBondContact OD1-CB 3.42Å; D495-S497 PolarHBondContact OD1-N 3.03Å; D495-S497 PolarHBondContact OD1-OG 2.63Å; S497-N534 PolarHBondContact O-ND2 3.36Å
498	T	78.5	Confident	66.4	Low	44 Å²	44	75.5 Å²	75.5	27%	0.27	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-14.4	176.1	53.2	0	0	0	0	114.2	A471 L496 S500	A471-T498 HydrophobicContact CB-CG2 4.19Å; L496-T498 PolarHBondContact O-N 3.46Å; T498-S500 PolarHBondContact O-N 3.08Å
499	L	76.7	Confident	63.6	Low	8 Å²	8	82.6 Å²	82.6	4%	0.042	43%	0.431	C	S	.	.			trans	-76.3	50	175.6	-73.5	179.8	0	0	0	112.8	L474 L477 L480 L483 L496 S501	L474-L499 HydrophobicContact CB-CD2 3.88Å; L474-L499 HydrophobicContact CB-CG 4.17Å; L474-L499 HydrophobicContact CD2-CD1 4.38Å; L474-L499 HydrophobicContact CD2-CD2 4.33Å; L474-L499 HydrophobicContact CD2-CG 4.42Å; L474-L499 VanDerWaalsContact O-CD2 3.25Å; L474-L499 WeakPolarHBondContact O-CD2 3.33Å; L477-L499 HydrophobicContact CB-CD2 4.19Å; L480-L499 HydrophobicContact CD2-CD1 4.4Å; L483-L499 HydrophobicContact CD2-CD1 4.18Å; L496-L499 HydrophobicContact CB-CD1 4.24Å; L496-L499 HydrophobicContact CD2-CD1 3.96Å; L496-L499 HydrophobicContact CG-CD1 4.49Å; L496-L499 PolarHBondContact O-N 3.5Å; L496-L499 VanDerWaalsContact O-N 3.12Å; L499-S501 PolarHBondContact O-N 2.84Å; L499-S501 VanDerWaalsContact O-N 3.14Å
500	S	69.1	Low	61.3	Low	51 Å²	51	84.1 Å²	84.1	36%	0.357	44%	0.444	S	S	.	.			trans	-70.2	101.9	164.6	56.8	0	0	0	0	109.3	T498 L502	T498-S500 PolarHBondContact O-N 3.08Å; S500-L502 PolarHBondContact O-N 3.32Å
501	S	58.9	Low	59.1	Low	10 Å²	10	85.5 Å²	85.5	7%	0.07	46%	0.461	C	S	.	.			trans	-76.7	59	-178.7	62	0	0	0	0	113	C478 L499 C537	C478-S501 CarbonylContact O-C 3.59Å; C478-S501 WeakPolarHBondContact O-CA 3.34Å; C478-S501 WeakPolarHBondContact O-CB 3.37Å; L499-S501 PolarHBondContact O-N 2.84Å; L499-S501 VanDerWaalsContact O-N 3.14Å; S501-C537 WeakPolarHBondContact OG-CB 3.49Å; S501-C537 PolarHBondContact OG-SG 2.95Å
502	L	39.8	Very low	56.7	Low	120 Å²	120	92.9 Å²	92.9	63%	0.628	50%	0.5	S	S	*	.			trans	-159.1	74.2	-178.6	-127.8	165	0	0	0	112.2	S500 V504	S500-L502 PolarHBondContact O-N 3.32Å; L502-V504 HydrophobicContact CD2-CG2 4.26Å
503	Q	44.4	Very low	54.3	Low	105 Å²	105	96.5 Å²	96.5	49%	0.491	52%	0.517	S	S	.	.			trans	-116.5	89.9	155.5	-82.6	-160.1	11	0	0	110.9	R505	Q503-R505 HydrophobicContact CB-CG 4.37Å; Q503-R505 PolarHBondContact O-N 3.21Å
504	V	34.8	Very low	52.1	Low	109 Å²	109	99 Å²	99	66%	0.661	53%	0.531	S	S	*	.			trans	-75	70.9	157.5	-175.5	0	0	0	0	107.9	L502 G506	L502-V504 HydrophobicContact CD2-CG2 4.26Å; V504-G506 PolarHBondContact O-N 3.35Å
505	R	34.6	Very low	50.2	Low	211 Å²	211	103.8 Å²	103.8	80%	0.796	56%	0.561	S	S	*	*			trans	-84.8	87.5	175.7	-94.1	-161.6	172.5	-178.9	-5.1	111	Q503	Q503-R505 HydrophobicContact CB-CG 4.37Å; Q503-R505 PolarHBondContact O-N 3.21Å
506	G	31.4	Very low	48.6	Very low	67 Å²	67	106.7 Å²	106.7	69%	0.691	58%	0.576	S	S	*	*	S	Bend	trans	79	61.3	144.9	0	0	0	0	0	118.1	V504	V504-G506 PolarHBondContact O-N 3.35Å
507	K	30.8	Very low	47.6	Very low	205 Å²	205	108.5 Å²	108.5	89%	0.891	59%	0.587	S	S	*	*			trans	-154.2	152.5	131.5	-111.4	164.6	-170.3	178.3	0	111.8
508	V	31.3	Very low	47.1	Very low	131 Å²	131	112.1 Å²	112.1	79%	0.794	59%	0.592	S	S	*	*			trans	-77.8	120.5	-167.3	176.9	0	0	0	0	111.1
509	L	31.6	Very low	47.4	Very low	151 Å²	151	110.6 Å²	110.6	79%	0.791	58%	0.582	S	S	*	*			trans	-159.2	85.7	151.7	-116.6	168.4	0	0	0	110.6
510	P	34.8	Very low	48.1	Very low	92 Å²	92	111.3 Å²	111.3	60%	0.597	59%	0.587	S	S	*	*			trans	-69.5	166.9	165.2	32.5	-35.2	0	0	0	110.5
511	L	34.9	Very low	49.3	Very low	174 Å²	174	109.1 Å²	109.1	91%	0.911	57%	0.571	S	S	*	*	S	Bend	trans	81.3	3.6	170.6	-53.9	170.5	0	0	0	119.2
512	L	35.9	Very low	50.9	Low	160 Å²	160	109.4 Å²	109.4	84%	0.838	57%	0.572	S	S	*	*	S	Bend	trans	-102.2	130.4	151.3	-110.7	77.6	0	0	0	110.7	M514	L512-M514 PolarHBondContact O-N 3.42Å
513	M	37.9	Very low	53.5	Low	183 Å²	183	103.7 Å²	103.7	90%	0.901	54%	0.542	S	S	*	.			trans	-68.5	98.1	-179.7	-179.1	169.3	68.3	0	0	109.7
514	M	43.6	Very low	55.9	Low	141 Å²	141	99.4 Å²	99.4	70%	0.695	52%	0.522	S	S	*	.			trans	-49.4	125.5	174.9	-77.4	-73.4	176.6	0	0	109.8	L512 I516	L512-M514 PolarHBondContact O-N 3.42Å; M514-I516 PolarHBondContact O-N 3.39Å
515	P	47.7	Very low	58.5	Low	99 Å²	99	96.5 Å²	96.5	64%	0.643	50%	0.499	S	S	*	.			trans	-63.2	130.1	-178.9	26.1	-33.6	0	0	0	109	T517	P515-T517 PolarHBondContact O-N 3.05Å
516	I	54.6	Low	61.2	Low	121 Å²	121	86.5 Å²	86.5	62%	0.621	46%	0.461	S	S	*	.			trans	-57.7	104.9	-179.1	-60.1	174.1	0	0	0	108.5	M514 R518	M514-I516 PolarHBondContact O-N 3.39Å; I516-R518 HydrophobicContact CG2-CG 4.39Å; I516-R518 PolarHBondContact O-N 3.29Å
517	T	63.2	Low	64.1	Low	42 Å²	42	84.8 Å²	84.8	26%	0.258	44%	0.439	S	S	.	.			trans	-70.5	96.5	-176.2	34.3	0	0	0	0	109.5	T481 P515 Q519 C537	T481-T517 HydrophobicContact CG2-CG2 4.31Å; P515-T517 PolarHBondContact O-N 3.05Å; T517-Q519 PolarHBondContact O-N 3.3Å; T517-C537 VanDerWaalsContact O-CB 3.3Å; T517-C537 WeakPolarHBondContact O-CB 3.19Å
518	R	74.1	Confident	67	Low	131 Å²	131	75 Å²	75	49%	0.494	40%	0.396	S	S	.	.			trans	-86.8	108.2	-179.6	-79.8	-174.2	180	-169.2	-1.8	110.2	I516 S539	I516-R518 HydrophobicContact CG2-CG 4.39Å; I516-R518 PolarHBondContact O-N 3.29Å; R518-S539 WeakPolarHBondContact CB-OG 3.34Å
519	Q	85.4	Confident	70.1	Confident	11 Å²	11	72.1 Å²	72.1	5%	0.051	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	136.7	-179.8	-162.3	173.4	65.9	0	0	110.8	L480 T481 T517 C537 S539 E540	L480-Q519 PolarHBondContact O-NE2 3.17Å; T481-Q519 CarbonylContact O-C 3.59Å; T481-Q519 VanDerWaalsContact O-CA 3.26Å; T481-Q519 WeakPolarHBondContact O-CA 3.02Å; T517-Q519 PolarHBondContact O-N 3.3Å; Q519-C537 HydrophobicContact CB-CB 4.39Å; Q519-C537 WeakPolarHBondContact CB-O 3.06Å; Q519-C537 PolarHBondContact N-O 3.38Å; Q519-S539 WeakPolarHBondContact O-CA 3.47Å; Q519-S539 WeakPolarHBondContact O-CB 3.11Å; Q519-S539 PolarHBondContact O-N 2.92Å; Q519-S539 PolarHBondContact O-OG 2.86Å; Q519-E540 PolarHBondContact O-N 3.18Å
520	V	91.2	Very high	73.1	Confident	24 Å²	24	65.1 Å²	65.1	15%	0.145	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	125.1	177.9	173.1	0	0	0	0	108.2	T481 H482 L483 E540	T481-V520 PolarHBondContact O-N 3.25Å; H482-V520 WeakPolarHBondContact CA-O 3.34Å; H482-V520 WeakPolarHBondContact ND1-CB 3.33Å; H482-V520 WeakPolarHBondContact ND1-CG1 3.47Å; L483-V520 PolarHBondContact N-O 2.68Å; V520-E540 WeakPolarHBondContact CA-O 3.44Å; V520-E540 HydrophobicContact CB-CB 4.48Å; V520-E540 HydrophobicContact CG1-CB 4.14Å; V520-E540 HydrophobicContact CG2-CB 4.08Å; V520-E540 HydrophobicContact CG2-CG 4.23Å
521	L	94	Very high	75.9	Confident	5 Å²	5	60.8 Å²	60.8	3%	0.026	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	114.4	177.9	176.1	57.1	0	0	0	110.1	L483 I485 L496 C523 V533 L538 E540 L541 R542	L483-L521 HydrophobicContact CB-CD1 4.09Å; L483-L521 HydrophobicContact CD2-CD1 4.03Å; L483-L521 HydrophobicContact CG-CD1 4.06Å; I485-L521 HydrophobicContact CG1-CD1 4.5Å; L496-L521 HydrophobicContact CD1-CD1 3.89Å; L496-L521 HydrophobicContact CD1-CD2 3.69Å; L496-L521 HydrophobicContact CD1-CG 4.49Å; L521-C523 HydrophobicContact CD1-CB 4.37Å; L521-C523 HydrophobicContact CG-CB 4.47Å; L521-V533 HydrophobicContact CD2-CG1 4.16Å; L521-V533 HydrophobicContact CD2-CG2 3.91Å; L521-L538 HydrophobicContact CB-CD1 4.37Å; L521-E540 PolarHBondContact N-O 2.86Å; L521-L541 HydrophobicContact CB-CD1 4.03Å; L521-L541 HydrophobicContact CD2-CD1 3.79Å; L521-L541 HydrophobicContact CG-CD1 3.95Å; L521-R542 PolarHBondContact O-N 2.91Å
522	N	93.6	Very high	78.7	Confident	15 Å²	15	56.1 Å²	56.1	8%	0.08	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	114.2	170.4	-56.9	-11.8	0	0	0	108.7	L483 D484 I485 R486 E524 R542	L483-N522 PolarHBondContact O-N 2.96Å; D484-N522 HydrophobicContact CB-CB 4.23Å; D484-N522 PolarHBondContact OD2-ND2 2.95Å; I485-N522 WeakPolarHBondContact CG1-O 3.36Å; I485-N522 PolarHBondContact N-O 3.26Å; R486-N522 HydrophobicContact CG-CB 3.84Å; N522-E524 VanDerWaalsContact CA-OE2 3.26Å; N522-E524 WeakPolarHBondContact CA-OE2 3.17Å; N522-E524 WeakPolarHBondContact CB-OE2 3.39Å; N522-R542 WeakPolarHBondContact OD1-CD 3.17Å
523	C	94.3	Very high	81.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.243	C	C	.	.			trans	-140	25.9	-178.5	62.4	0	0	0	0	112.7	I485 L494 L521 C526 I528 R542 A543 N546	I485-C523 HydrophobicContact CD1-CB 3.94Å; I485-C523 HydrophobicContact CG1-CB 3.82Å; L494-C523 HydrophobicContact CD2-CB 4.12Å; L521-C523 HydrophobicContact CD1-CB 4.37Å; L521-C523 HydrophobicContact CG-CB 4.47Å; C523-C526 PolarHBondContact O-SG 3.06Å; C523-I528 HydrophobicContact CB-CD1 4.08Å; C523-R542 PolarHBondContact N-O 2.95Å; C523-R542 PolarHBondContact SG-O 2.71Å; C523-A543 VanDerWaalsContact SG-CB 3.53Å; C523-N546 PolarHBondContact O-ND2 2.65Å
524	E	93.2	Very high	83.7	Confident	16 Å²	16	40.9 Å²	40.9	8%	0.075	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	143.9	172.2	-58.4	94.1	115.1	0	0	112.7	R486 D487 N522 C526 R542 N544	R486-E524 WeakPolarHBondContact CA-O 3.48Å; R486-E524 WeakPolarHBondContact CD-OE1 3.35Å; R486-E524 VanDerWaalsContact CD-OE2 3.3Å; R486-E524 WeakPolarHBondContact CD-OE2 3.31Å; R486-E524 HydrophobicContact CG-CB 4Å; R486-E524 HydrophobicContact CG-CG 4.47Å; R486-E524 VanDerWaalsContact CG-OE2 3.24Å; R486-E524 WeakPolarHBondContact CG-OE2 3.12Å; D487-E524 PolarHBondContact N-O 3.33Å; N522-E524 VanDerWaalsContact CA-OE2 3.26Å; N522-E524 WeakPolarHBondContact CA-OE2 3.17Å; N522-E524 WeakPolarHBondContact CB-OE2 3.39Å; E524-C526 PolarHBondContact O-N 2.78Å; E524-C526 PolarHBondContact O-SG 3.43Å; E524-R542 HydrophobicContact CG-CB 4.31Å; E524-R542 WeakPolarHBondContact OE2-CB 3.42Å; E524-N544 VanDerWaalsContact CA-O 3.28Å; E524-N544 WeakPolarHBondContact CA-O 3.48Å; E524-N544 WeakPolarHBondContact CB-O 3.48Å; E524-N544 VanDerWaalsContact CG-CG 3.5Å; E524-N544 WeakPolarHBondContact CG-ND2 3.35Å; E524-N544 WeakPolarHBondContact CG-OD1 3.41Å
525	R	90.3	Very high	85.9	Confident	48 Å²	48	34.1 Å²	34.1	18%	0.181	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	38.4	169.9	-57.2	179.9	-56.5	-126.1	-5.5	115.5	D487 N544 K545 E980 N1000	D487-R525 VanDerWaalsContact CG-NH2 3.29Å; D487-R525 IonicContact OD1-CZ 2.82Å; D487-R525 IonicContact OD1-NE 3.5Å; D487-R525 PolarHBondContact OD1-NE 2.85Å; D487-R525 IonicContact OD1-NH2 3.17Å; D487-R525 PolarHBondContact OD1-NH2 2.87Å; D487-R525 IonicContact OD2-CZ 3.89Å; D487-R525 IonicContact OD2-NH2 3.94Å; D487-R525 PolarHBondContact OD2-NH2 2.7Å; R525-N544 PolarHBondContact N-O 3.35Å; R525-K545 VanDerWaalsContact CA-O 3.3Å; R525-K545 WeakPolarHBondContact CA-O 3.39Å; R525-K545 HydrophobicContact CG-CB 3.62Å; R525-K545 HydrophobicContact CG-CD 4.11Å; R525-K545 HydrophobicContact CG-CG 4.49Å; R525-K545 PolarHBondContact N-O 3.39Å; R525-E980 WeakPolarHBondContact CD-OE1 3.42Å; R525-E980 IonicContact CZ-OE1 3.44Å; R525-E980 IonicContact CZ-OE2 3.3Å; R525-E980 IonicContact NE-OE1 3.55Å; R525-E980 IonicContact NH1-OE1 3.84Å; R525-E980 PolarHBondContact NH1-OE1 2.84Å; R525-E980 IonicContact NH1-OE2 2.64Å; R525-E980 PolarHBondContact NH1-OE2 3.21Å; R525-N1000 PolarHBondContact NH1-ND2 2.83Å; R525-N1000 PolarHBondContact NH2-ND2 2.68Å; R525-N1000 VanDerWaalsContact NH2-ND2 3.1Å; R525-N1000 PolarHBondContact NH2-OD1 2.64Å
526	C	91.4	Very high	87.8	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-102.6	-0.9	179.6	-62.5	0	0	0	0	114.3	I485 N488 N489 I491 C523 E524 I528 N546	I485-C526 PolarHBondContact O-SG 2.87Å; N488-C526 CarbonylContact O-C 3.6Å; N488-C526 VanDerWaalsContact O-CA 3.26Å; N488-C526 WeakPolarHBondContact O-CA 3.25Å; N488-C526 WeakPolarHBondContact O-CB 3.29Å; N488-C526 VanDerWaalsContact O-O 3.1Å; N489-C526 CarbonylContact C-O 3.58Å; I491-C526 CarbonylContact C-O 3.57Å; I491-C526 HydrophobicContact CB-CB 4.26Å; I491-C526 HydrophobicContact CD1-CB 4.37Å; I491-C526 PolarHBondContact N-O 3.09Å; I491-C526 VanDerWaalsContact N-O 3.16Å; C523-C526 PolarHBondContact O-SG 3.06Å; E524-C526 PolarHBondContact O-N 2.78Å; E524-C526 PolarHBondContact O-SG 3.43Å; C526-I528 VanDerWaalsContact C-N 3.32Å; C526-I528 HydrophobicContact CB-CD1 3.7Å; C526-I528 HydrophobicContact CB-CG1 3.76Å; C526-N546 WeakPolarHBondContact CA-OD1 3.5Å; C526-N546 PolarHBondContact N-OD1 2.84Å
527	S	91.3	Very high	89.3	Confident	32 Å²	32	26 Å²	26	22%	0.224	13%	0.127	C	C	.	.			trans	70.1	12.3	-172.2	-61.4	0	0	0	0	116.5	N489 I491 I529 N546	N489-S527 WeakPolarHBondContact O-CB 3.42Å; N489-S527 PolarHBondContact O-OG 3.05Å; I491-S527 CarbonylContact O-C 3.45Å; S527-I529 PolarHBondContact O-N 3.45Å; S527-N546 PolarHBondContact N-OD1 2.76Å
528	I	93.2	Very high	90.6	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.115	C	C	.	.			trans	-61.3	132.2	-171.1	-58.4	158.8	0	0	0	111.7	I491 L494 C523 C526 T530 L531 N546 K547 I548	I491-I528 HydrophobicContact CB-CG1 4.19Å; I491-I528 HydrophobicContact CG2-CG1 3.91Å; I491-I528 WeakPolarHBondContact O-CA 3.25Å; I491-I528 WeakPolarHBondContact O-CG1 3.28Å; I491-I528 PolarHBondContact O-N 3.38Å; L494-I528 HydrophobicContact CB-CD1 4.1Å; L494-I528 HydrophobicContact CB-CG1 4.28Å; L494-I528 HydrophobicContact CB-CG2 4.2Å; L494-I528 HydrophobicContact CD2-CD1 3.67Å; C523-I528 HydrophobicContact CB-CD1 4.08Å; C526-I528 VanDerWaalsContact C-N 3.32Å; C526-I528 HydrophobicContact CB-CD1 3.7Å; C526-I528 HydrophobicContact CB-CG1 3.76Å; I528-T530 VanDerWaalsContact CG2-O 3.3Å; I528-T530 WeakPolarHBondContact CG2-O 3.44Å; I528-L531 HydrophobicContact CG2-CB 4.09Å; I528-N546 HydrophobicContact CB-CB 4.37Å; I528-N546 PolarHBondContact N-OD1 3.19Å; I528-N546 VanDerWaalsContact N-OD1 3.11Å; I528-K547 CarbonylContact O-C 3.53Å; I528-K547 VanDerWaalsContact O-CA 3.31Å; I528-K547 WeakPolarHBondContact O-CA 3.45Å; I528-K547 PolarHBondContact O-N 2.88Å; I528-I548 HydrophobicContact CB-CG1 4.19Å; I528-I548 HydrophobicContact CG2-CG1 4.1Å; I528-I548 WeakPolarHBondContact O-CG1 3.44Å; I528-I548 PolarHBondContact O-N 3.09Å
529	I	95	Very high	91.5	Very high	69 Å²	69	18.1 Å²	18.1	35%	0.354	9%	0.094	S	C	.	.	S	Bend	trans	-103.2	-41.5	173.6	-57.1	178.9	0	0	0	111.1	I492 S527 K547 I548 R549 N550	I492-I529 HydrophobicContact CG2-CD1 3.97Å; I492-I529 HydrophobicContact CG2-CG1 4.32Å; I492-I529 PolarHBondContact O-N 2.82Å; S527-I529 PolarHBondContact O-N 3.45Å; I529-K547 HydrophobicContact CG1-CB 3.94Å; I529-I548 WeakPolarHBondContact O-CA 3.49Å; I529-R549 PolarHBondContact O-N 2.91Å; I529-R549 VanDerWaalsContact O-N 3.07Å; I529-N550 PolarHBondContact O-N 2.95Å
530	T	94.3	Very high	91.9	Very high	5 Å²	5	20.1 Å²	20.1	3%	0.031	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	122.4	178.2	-56.5	0	0	0	0	110.1	E493 L494 I528 R532 N550 F552	E493-T530 WeakPolarHBondContact CA-O 3.3Å; E493-T530 VanDerWaalsContact OE1-CB 3.27Å; E493-T530 WeakPolarHBondContact OE1-CB 3.36Å; E493-T530 PolarHBondContact OE1-OG1 3.49Å; L494-T530 PolarHBondContact N-O 2.87Å; I528-T530 VanDerWaalsContact CG2-O 3.3Å; I528-T530 WeakPolarHBondContact CG2-O 3.44Å; T530-R532 HydrophobicContact CG2-CG 4.32Å; T530-N550 WeakPolarHBondContact CA-O 3.4Å; T530-N550 HydrophobicContact CG2-CB 4.04Å; T530-N550 PolarHBondContact OG1-ND2 3.34Å; T530-F552 HydrophobicContact CG2-CD2 3.99Å; T530-F552 HydrophobicContact CG2-CE2 3.86Å
531	L	94.4	Very high	92.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117.8	-179.6	178.5	52.7	0	0	0	110.3	L494 I528 V533 L541 A543 I548 N550 L551 F552	L494-L531 HydrophobicContact CB-CD1 3.85Å; L494-L531 HydrophobicContact CD2-CD1 3.61Å; L494-L531 HydrophobicContact CG-CD1 3.72Å; I528-L531 HydrophobicContact CG2-CB 4.09Å; L531-V533 HydrophobicContact CD1-CG2 3.5Å; L531-V533 HydrophobicContact CD2-CG2 4.41Å; L531-V533 HydrophobicContact CG-CG2 3.78Å; L531-L541 HydrophobicContact CD2-CD1 4.39Å; L531-L541 HydrophobicContact CD2-CD2 4.41Å; L531-A543 HydrophobicContact CD2-CB 4.04Å; L531-I548 HydrophobicContact CB-CD1 4.3Å; L531-I548 HydrophobicContact CD2-CD1 3.84Å; L531-N550 PolarHBondContact N-O 3.07Å; L531-L551 HydrophobicContact CB-CD1 3.99Å; L531-L551 HydrophobicContact CD2-CD1 3.8Å; L531-L551 HydrophobicContact CG-CD1 3.84Å; L531-F552 PolarHBondContact O-N 3.37Å
532	R	93.1	Very high	92.3	Very high	77 Å²	77	22.6 Å²	22.6	29%	0.291	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.4	175.2	-51.3	-174.8	-172.5	88.6	5.3	109.5	E493 L494 D495 L496 T530 F552	E493-R532 IonicContact OE1-NH2 2.7Å; E493-R532 IonicContact OE2-CZ 2.87Å; E493-R532 VanDerWaalsContact OE2-CZ 3.24Å; E493-R532 IonicContact OE2-NH1 2.56Å; E493-R532 PolarHBondContact OE2-NH1 3.22Å; E493-R532 IonicContact OE2-NH2 3.34Å; E493-R532 PolarHBondContact OE2-NH2 3.38Å; L494-R532 PolarHBondContact O-N 3.05Å; D495-R532 HydrophobicContact CB-CB 4.29Å; D495-R532 WeakPolarHBondContact OD2-CD 3.37Å; L496-R532 PolarHBondContact N-O 3.05Å; T530-R532 HydrophobicContact CG2-CG 4.32Å; R532-F552 CarbonylContact C-O 3.52Å; R532-F552 VanDerWaalsContact CA-O 3.3Å; R532-F552 WeakPolarHBondContact CA-O 3.49Å; R532-F552 HydrophobicContact CG-CB 4.18Å; R532-F552 HydrophobicContact CG-CD2 3.98Å
533	V	91	Very high	92.4	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.024	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	144.5	-174.1	-173.4	0	0	0	0	111	L521 L531 G535 L538 F552 I553 R554	L521-V533 HydrophobicContact CD2-CG1 4.16Å; L521-V533 HydrophobicContact CD2-CG2 3.91Å; L531-V533 HydrophobicContact CD1-CG2 3.5Å; L531-V533 HydrophobicContact CD2-CG2 4.41Å; L531-V533 HydrophobicContact CG-CG2 3.78Å; V533-G535 PolarHBondContact O-N 3.13Å; V533-L538 HydrophobicContact CG1-CD2 4.08Å; V533-F552 PolarHBondContact N-O 3.37Å; V533-I553 HydrophobicContact CB-CG1 4.47Å; V533-I553 WeakPolarHBondContact O-CA 3.42Å; V533-R554 PolarHBondContact O-N 3.38Å
534	N	88.7	Confident	92.4	Very high	18 Å²	18	23.2 Å²	23.2	10%	0.096	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	121.8	171.1	-159.2	-68.8	0	0	0	111	L496 S497 S536 R554	L496-N534 PolarHBondContact O-N 2.84Å; S497-N534 PolarHBondContact O-ND2 3.36Å; N534-S536 WeakPolarHBondContact OD1-CB 3.42Å; N534-S536 PolarHBondContact OD1-N 2.72Å; N534-S536 PolarHBondContact OD1-OG 3.21Å; N534-R554 WeakPolarHBondContact CA-O 3.16Å
535	G	90.2	Very high	92.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.128	C	C	.	.			trans	-81.6	-17	-175.8	0	0	0	0	0	115.7	V533 C537 L538 I553 R554 P555 P557	V533-G535 PolarHBondContact O-N 3.13Å; G535-C537 PolarHBondContact O-N 3.48Å; G535-L538 PolarHBondContact O-N 3.13Å; G535-L538 VanDerWaalsContact O-N 3.13Å; G535-I553 VanDerWaalsContact CA-CG2 3.44Å; G535-R554 PolarHBondContact N-O 2.94Å; G535-R554 VanDerWaalsContact N-O 3.14Å; G535-P555 WeakPolarHBondContact CA-O 3.35Å; G535-P557 WeakPolarHBondContact O-CA 3.41Å
536	S	87.1	Confident	92.7	Very high	45 Å²	45	25.2 Å²	25.2	32%	0.315	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-35.8	-161.9	-49.5	0	0	0	0	115.1	N534 P555 Q559	N534-S536 WeakPolarHBondContact OD1-CB 3.42Å; N534-S536 PolarHBondContact OD1-N 2.72Å; N534-S536 PolarHBondContact OD1-OG 3.21Å; S536-P555 WeakPolarHBondContact OG-CD 3.5Å; S536-P555 WeakPolarHBondContact OG-CG 3.43Å; S536-Q559 PolarHBondContact O-NE2 3.26Å
537	C	86.7	Confident	92.9	Very high	4 Å²	4	30.4 Å²	30.4	3%	0.027	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124	5.7	-176.8	-75.8	0	0	0	0	113.1	S501 T517 Q519 G535 S539	S501-C537 WeakPolarHBondContact OG-CB 3.49Å; S501-C537 PolarHBondContact OG-SG 2.95Å; T517-C537 VanDerWaalsContact O-CB 3.3Å; T517-C537 WeakPolarHBondContact O-CB 3.19Å; Q519-C537 HydrophobicContact CB-CB 4.39Å; Q519-C537 WeakPolarHBondContact CB-O 3.06Å; Q519-C537 PolarHBondContact N-O 3.38Å; G535-C537 PolarHBondContact O-N 3.48Å; C537-S539 PolarHBondContact O-N 3.42Å
538	L	90.4	Very high	93.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	122.2	-173.9	-173.9	62.6	0	0	0	110.6	L521 V533 G535 L541 I553 P557 Q559 I560	L521-L538 HydrophobicContact CB-CD1 4.37Å; V533-L538 HydrophobicContact CG1-CD2 4.08Å; G535-L538 PolarHBondContact O-N 3.13Å; G535-L538 VanDerWaalsContact O-N 3.13Å; L538-L541 HydrophobicContact CD1-CB 4.48Å; L538-L541 HydrophobicContact CD2-CB 4.3Å; L538-I553 HydrophobicContact CD2-CD1 3.92Å; L538-I553 HydrophobicContact CD2-CG2 4.33Å; L538-P557 HydrophobicContact CB-CB 4.26Å; L538-P557 HydrophobicContact CD2-CB 4.38Å; L538-Q559 CarbonylContact O-C 3.59Å; L538-Q559 VanDerWaalsContact O-C 3.28Å; L538-I560 HydrophobicContact CD2-CD1 4.25Å; L538-I560 HydrophobicContact CG-CD1 4.33Å; L538-I560 VanDerWaalsContact O-CA 3.25Å; L538-I560 WeakPolarHBondContact O-CA 3.29Å; L538-I560 PolarHBondContact O-N 3.48Å
539	S	91.8	Very high	93.3	Very high	7 Å²	7	35.7 Å²	35.7	5%	0.049	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	-34	-172.3	75.5	0	0	0	0	113.7	R518 Q519 C537 A561 I562	R518-S539 WeakPolarHBondContact CB-OG 3.34Å; Q519-S539 WeakPolarHBondContact O-CA 3.47Å; Q519-S539 WeakPolarHBondContact O-CB 3.11Å; Q519-S539 PolarHBondContact O-N 2.92Å; Q519-S539 PolarHBondContact O-OG 2.86Å; C537-S539 PolarHBondContact O-N 3.42Å; S539-A561 PolarHBondContact O-N 2.89Å; S539-I562 PolarHBondContact O-N 3.45Å
540	E	95	Very high	93.3	Very high	53 Å²	53	35.6 Å²	35.6	25%	0.248	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	130.7	166.9	-57.4	-171.1	-166.8	0	0	109	Q519 V520 L521 R542 I562	Q519-E540 PolarHBondContact O-N 3.18Å; V520-E540 WeakPolarHBondContact CA-O 3.44Å; V520-E540 HydrophobicContact CB-CB 4.48Å; V520-E540 HydrophobicContact CG1-CB 4.14Å; V520-E540 HydrophobicContact CG2-CB 4.08Å; V520-E540 HydrophobicContact CG2-CG 4.23Å; L521-E540 PolarHBondContact N-O 2.86Å; E540-R542 IonicContact OE2-CZ 3.49Å; E540-R542 IonicContact OE2-NE 3.73Å; E540-R542 PolarHBondContact OE2-NE 2.98Å; E540-R542 IonicContact OE2-NH2 3.24Å; E540-R542 PolarHBondContact OE2-NH2 2.88Å; E540-I562 WeakPolarHBondContact CA-O 3.24Å; E540-I562 HydrophobicContact CB-CB 4.23Å; E540-I562 HydrophobicContact CG-CB 3.99Å; E540-I562 HydrophobicContact CG-CD1 4.3Å; E540-I562 HydrophobicContact CG-CG1 4.17Å
541	L	96.4	Very high	93.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.4	169.7	175.8	59	0	0	0	109.1	L521 L531 L538 A543 L551 I553 I560 I562 L563 E564 L565	L521-L541 HydrophobicContact CB-CD1 4.03Å; L521-L541 HydrophobicContact CD2-CD1 3.79Å; L521-L541 HydrophobicContact CG-CD1 3.95Å; L531-L541 HydrophobicContact CD2-CD1 4.39Å; L531-L541 HydrophobicContact CD2-CD2 4.41Å; L538-L541 HydrophobicContact CD1-CB 4.48Å; L538-L541 HydrophobicContact CD2-CB 4.3Å; L541-A543 HydrophobicContact CD1-CB 4.46Å; L541-L551 HydrophobicContact CD2-CD1 4.39Å; L541-I553 HydrophobicContact CD2-CD1 3.88Å; L541-I560 HydrophobicContact CB-CD1 4.11Å; L541-I562 PolarHBondContact N-O 2.75Å; L541-L563 HydrophobicContact CB-CD1 4.17Å; L541-L563 HydrophobicContact CD2-CD1 3.87Å; L541-L563 HydrophobicContact CG-CD1 4.32Å; L541-E564 PolarHBondContact O-N 2.96Å; L541-L565 HydrophobicContact CD2-CD2 4.34Å
542	R	96.3	Very high	93.4	Very high	81 Å²	81	40.9 Å²	40.9	31%	0.306	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	112.3	174.1	-54.8	177.3	-174.6	-111.8	-4.1	108.4	L521 N522 C523 E524 E540 E564	L521-R542 PolarHBondContact O-N 2.91Å; N522-R542 WeakPolarHBondContact OD1-CD 3.17Å; C523-R542 PolarHBondContact N-O 2.95Å; C523-R542 PolarHBondContact SG-O 2.71Å; E524-R542 HydrophobicContact CG-CB 4.31Å; E524-R542 WeakPolarHBondContact OE2-CB 3.42Å; E540-R542 IonicContact OE2-CZ 3.49Å; E540-R542 IonicContact OE2-NE 3.73Å; E540-R542 PolarHBondContact OE2-NE 2.98Å; E540-R542 IonicContact OE2-NH2 3.24Å; E540-R542 PolarHBondContact OE2-NH2 2.88Å; R542-E564 HydrophobicContact CB-CB 4.5Å; R542-E564 HydrophobicContact CG-CB 4.32Å
543	A	96.4	Very high	93.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.173	C	C	.	.			trans	-138.5	21.8	-177	0	0	0	0	0	111.6	C523 L531 L541 N546 I548 E564 L565 N568	C523-A543 VanDerWaalsContact SG-CB 3.53Å; L531-A543 HydrophobicContact CD2-CB 4.04Å; L541-A543 HydrophobicContact CD1-CB 4.46Å; A543-N546 PolarHBondContact O-ND2 2.91Å; A543-I548 HydrophobicContact CB-CD1 3.62Å; A543-E564 PolarHBondContact N-O 2.81Å; A543-L565 HydrophobicContact CB-CD2 4.06Å; A543-N568 PolarHBondContact O-ND2 3.01Å
544	N	95	Very high	93.4	Very high	29 Å²	29	47 Å²	47	16%	0.155	21%	0.208	C	C	.	.			trans	-65.7	156.1	-179.6	60.1	-93.3	0	0	0	113	E524 R525 E564 S566	E524-N544 VanDerWaalsContact CA-O 3.28Å; E524-N544 WeakPolarHBondContact CA-O 3.48Å; E524-N544 WeakPolarHBondContact CB-O 3.48Å; E524-N544 VanDerWaalsContact CG-CG 3.5Å; E524-N544 WeakPolarHBondContact CG-ND2 3.35Å; E524-N544 WeakPolarHBondContact CG-OD1 3.41Å; R525-N544 PolarHBondContact N-O 3.35Å; N544-E564 HydrophobicContact CB-CG 3.96Å; N544-E564 WeakPolarHBondContact OD1-CG 3.49Å; N544-S566 CarbonylContact C-O 3.46Å; N544-S566 WeakPolarHBondContact CA-O 3.47Å; N544-S566 WeakPolarHBondContact CB-O 3.44Å
545	K	94	Very high	93.6	Very high	91 Å²	91	49.6 Å²	49.6	40%	0.396	23%	0.226	S	C	.	.	S	Bend	trans	56.2	46.7	-175	-59.5	-174.6	-179.2	-167.5	0	113	R525 S566 H567 E980	R525-K545 VanDerWaalsContact CA-O 3.3Å; R525-K545 WeakPolarHBondContact CA-O 3.39Å; R525-K545 HydrophobicContact CG-CB 3.62Å; R525-K545 HydrophobicContact CG-CD 4.11Å; R525-K545 HydrophobicContact CG-CG 4.49Å; R525-K545 PolarHBondContact N-O 3.39Å; K545-S566 PolarHBondContact N-O 2.86Å; K545-H567 WeakPolarHBondContact CA-O 3.44Å; K545-H567 HydrophobicContact CB-CB 4.44Å; K545-H567 HydrophobicContact CG-CB 3.91Å; K545-H567 PolarHBondContact N-O 3.28Å; K545-H567 VanDerWaalsContact N-O 3.12Å; K545-E980 WeakPolarHBondContact CD-OE1 3.38Å; K545-E980 IonicContact NZ-OE1 3.71Å; K545-E980 PolarHBondContact NZ-OE1 2.71Å
546	N	95.2	Very high	93.7	Very high	15 Å²	15	51.3 Å²	51.3	8%	0.08	24%	0.236	C	C	.	.	S	Bend	trans	-114.6	-155	169.5	-80.3	-67.4	0	0	0	109.3	C523 C526 S527 I528 A543 I548 H567 N568	C523-N546 PolarHBondContact O-ND2 2.65Å; C526-N546 WeakPolarHBondContact CA-OD1 3.5Å; C526-N546 PolarHBondContact N-OD1 2.84Å; S527-N546 PolarHBondContact N-OD1 2.76Å; I528-N546 HydrophobicContact CB-CB 4.37Å; I528-N546 PolarHBondContact N-OD1 3.19Å; I528-N546 VanDerWaalsContact N-OD1 3.11Å; A543-N546 PolarHBondContact O-ND2 2.91Å; N546-I548 HydrophobicContact CB-CD1 4.05Å; N546-I548 HydrophobicContact CB-CG1 3.84Å; N546-H567 PolarHBondContact N-O 3.47Å; N546-N568 VanDerWaalsContact CA-OD1 3.29Å; N546-N568 WeakPolarHBondContact CA-OD1 3.07Å; N546-N568 WeakPolarHBondContact CB-OD1 3.41Å; N546-N568 PolarHBondContact N-OD1 2.58Å; N546-N568 PolarHBondContact O-OD1 3.3Å
547	K	96.4	Very high	94	Very high	109 Å²	109	49.2 Å²	49.2	47%	0.474	22%	0.221	S	C	.	.			trans	-125.8	26.3	176.7	-64.5	167.4	-175.7	155.5	0	110.2	I528 I529 R549 N568	I528-K547 CarbonylContact O-C 3.53Å; I528-K547 VanDerWaalsContact O-CA 3.31Å; I528-K547 WeakPolarHBondContact O-CA 3.45Å; I528-K547 PolarHBondContact O-N 2.88Å; I529-K547 HydrophobicContact CG1-CB 3.94Å; K547-R549 PolarHBondContact O-N 2.99Å; K547-N568 PolarHBondContact N-OD1 3.43Å
548	I	97	Very high	94.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	24%	0.243	C	C	.	.			trans	-66.7	120.7	-166.3	-61	170.3	0	0	0	108.8	I528 I529 L531 A543 N546 L551 N568 C569 M570	I528-I548 HydrophobicContact CB-CG1 4.19Å; I528-I548 HydrophobicContact CG2-CG1 4.1Å; I528-I548 WeakPolarHBondContact O-CG1 3.44Å; I528-I548 PolarHBondContact O-N 3.09Å; I529-I548 WeakPolarHBondContact O-CA 3.49Å; L531-I548 HydrophobicContact CB-CD1 4.3Å; L531-I548 HydrophobicContact CD2-CD1 3.84Å; A543-I548 HydrophobicContact CB-CD1 3.62Å; N546-I548 HydrophobicContact CB-CD1 4.05Å; N546-I548 HydrophobicContact CB-CG1 3.84Å; I548-L551 HydrophobicContact CG2-CB 4.36Å; I548-N568 HydrophobicContact CB-CB 4.35Å; I548-N568 WeakPolarHBondContact CB-OD1 3.47Å; I548-N568 WeakPolarHBondContact CG1-OD1 3.49Å; I548-N568 PolarHBondContact N-OD1 3.19Å; I548-C569 CarbonylContact O-C 3.53Å; I548-C569 WeakPolarHBondContact O-CA 3.17Å; I548-C569 PolarHBondContact O-N 3.18Å; I548-M570 HydrophobicContact CG2-SD 3.91Å; I548-M570 PolarHBondContact O-N 2.88Å
549	R	95.4	Very high	94.1	Very high	142 Å²	142	56.1 Å²	56.1	54%	0.536	25%	0.253	S	S	.	.			trans	-114.2	-28.9	170	-168	176.7	-170.5	-161.2	0	111	I529 K547 C569 E571	I529-R549 PolarHBondContact O-N 2.91Å; I529-R549 VanDerWaalsContact O-N 3.07Å; K547-R549 PolarHBondContact O-N 2.99Å; R549-C569 HydrophobicContact CB-CB 4.37Å; R549-E571 IonicContact CZ-OE1 3.3Å; R549-E571 IonicContact NE-OE1 3.02Å; R549-E571 PolarHBondContact NE-OE1 2.62Å; R549-E571 IonicContact NH2-OE1 2.66Å; R549-E571 PolarHBondContact NH2-OE1 2.98Å; R549-E571 IonicContact NH2-OE2 3.66Å
550	N	94.3	Very high	94.1	Very high	67 Å²	67	55.8 Å²	55.8	36%	0.358	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	107.8	-178.3	-54.6	-45.2	0	0	0	110.4	I529 T530 L531 F552	I529-N550 PolarHBondContact O-N 2.95Å; T530-N550 WeakPolarHBondContact CA-O 3.4Å; T530-N550 HydrophobicContact CG2-CB 4.04Å; T530-N550 PolarHBondContact OG1-ND2 3.34Å; L531-N550 PolarHBondContact N-O 3.07Å; N550-F552 HydrophobicContact CB-CD2 4.38Å; N550-F552 HydrophobicContact CB-CE2 3.69Å; N550-F552 HydrophobicContact CB-CZ 4.16Å
551	L	95.8	Very high	94.1	Very high	20 Å²	20	54 Å²	54	11%	0.105	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	113	175.3	-179.7	61.2	0	0	0	110.7	L531 L541 I548 I553 L565 M570 P574	L531-L551 HydrophobicContact CB-CD1 3.99Å; L531-L551 HydrophobicContact CD2-CD1 3.8Å; L531-L551 HydrophobicContact CG-CD1 3.84Å; L541-L551 HydrophobicContact CD2-CD1 4.39Å; I548-L551 HydrophobicContact CG2-CB 4.36Å; L551-I553 HydrophobicContact CD1-CD1 4.16Å; L551-I553 HydrophobicContact CD1-CG1 3.99Å; L551-I553 HydrophobicContact CD2-CD1 4.44Å; L551-I553 HydrophobicContact CG-CD1 4.39Å; L551-I553 HydrophobicContact CG-CG1 4.19Å; L551-L565 HydrophobicContact CD2-CD1 3.71Å; L551-L565 HydrophobicContact CD2-CD2 4.19Å; L551-M570 HydrophobicContact CB-CE 4.16Å; L551-M570 HydrophobicContact CB-SD 4.4Å; L551-P574 HydrophobicContact CD2-CG 4.43Å
552	F	94.4	Very high	94	Very high	97 Å²	97	55 Å²	55	43%	0.425	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	104.7	179.6	-58.4	-71.8	0	0	0	110.5	T530 L531 R532 V533 N550	T530-F552 HydrophobicContact CG2-CD2 3.99Å; T530-F552 HydrophobicContact CG2-CE2 3.86Å; L531-F552 PolarHBondContact O-N 3.37Å; R532-F552 CarbonylContact C-O 3.52Å; R532-F552 VanDerWaalsContact CA-O 3.3Å; R532-F552 WeakPolarHBondContact CA-O 3.49Å; R532-F552 HydrophobicContact CG-CB 4.18Å; R532-F552 HydrophobicContact CG-CD2 3.98Å; V533-F552 PolarHBondContact N-O 3.37Å; N550-F552 HydrophobicContact CB-CD2 4.38Å; N550-F552 HydrophobicContact CB-CE2 3.69Å; N550-F552 HydrophobicContact CB-CZ 4.16Å
553	I	94.1	Very high	94	Very high	7 Å²	7	51.2 Å²	51.2	4%	0.036	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.3	172.5	-50.8	-173.5	0	0	0	108.5	V533 G535 L538 L541 L551 P557 W576	V533-I553 HydrophobicContact CB-CG1 4.47Å; V533-I553 WeakPolarHBondContact O-CA 3.42Å; G535-I553 VanDerWaalsContact CA-CG2 3.44Å; L538-I553 HydrophobicContact CD2-CD1 3.92Å; L538-I553 HydrophobicContact CD2-CG2 4.33Å; L541-I553 HydrophobicContact CD2-CD1 3.88Å; L551-I553 HydrophobicContact CD1-CD1 4.16Å; L551-I553 HydrophobicContact CD1-CG1 3.99Å; L551-I553 HydrophobicContact CD2-CD1 4.44Å; L551-I553 HydrophobicContact CG-CD1 4.39Å; L551-I553 HydrophobicContact CG-CG1 4.19Å; I553-P557 HydrophobicContact CD1-CG 4.49Å; I553-P557 HydrophobicContact CG2-CB 3.96Å; I553-P557 HydrophobicContact CG2-CG 3.88Å; I553-W576 HydrophobicContact CB-CZ2 4.1Å; I553-W576 HydrophobicContact CD1-CH2 3.8Å; I553-W576 HydrophobicContact CD1-CZ2 3.98Å; I553-W576 HydrophobicContact CG1-CH2 4.43Å; I553-W576 HydrophobicContact CG1-CZ2 4.11Å
554	R	90.9	Very high	94	Very high	203 Å²	203	52.5 Å²	52.5	77%	0.766	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-141.1	139.9	177.2	-72.2	-173.3	173.8	153.4	-0.5	110.6	V533 N534 G535	V533-R554 PolarHBondContact O-N 3.38Å; N534-R554 WeakPolarHBondContact CA-O 3.16Å; G535-R554 PolarHBondContact N-O 2.94Å; G535-R554 VanDerWaalsContact N-O 3.14Å
555	P	92.9	Very high	94.1	Very high	72 Å²	72	51.1 Å²	51.1	47%	0.468	24%	0.235	S	C	.	.	S	Bend	cis	-60.6	175.8	-15.1	31.3	-37.5	0	0	0	112	G535 S536	G535-P555 WeakPolarHBondContact CA-O 3.35Å; S536-P555 WeakPolarHBondContact OG-CD 3.5Å; S536-P555 WeakPolarHBondContact OG-CG 3.43Å
556	T	92.6	Very high	94.3	Very high	36 Å²	36	47.1 Å²	47.1	22%	0.221	22%	0.218	C	C	.	.			trans	-52.1	130.7	177.1	-63.2	0	0	0	0	111.1	H558 W576 E579 L580	T556-H558 VanDerWaalsContact C-N 3.28Å; T556-H558 PolarHBondContact O-N 2.74Å; T556-H558 PolarHBondContact O-ND1 2.77Å; T556-W576 HydrophobicContact CG2-CB 4Å; T556-E579 HydrophobicContact CG2-CB 4.49Å; T556-L580 HydrophobicContact CG2-CD2 4.22Å
557	P	92.5	Very high	94.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.232	C	C	.	.			trans	-82.4	63.9	-170.8	34.3	-37.7	0	0	0	113.1	G535 L538 I553 Q559 I560 W576 L580	G535-P557 WeakPolarHBondContact O-CA 3.41Å; L538-P557 HydrophobicContact CB-CB 4.26Å; L538-P557 HydrophobicContact CD2-CB 4.38Å; I553-P557 HydrophobicContact CD1-CG 4.49Å; I553-P557 HydrophobicContact CG2-CB 3.96Å; I553-P557 HydrophobicContact CG2-CG 3.88Å; P557-Q559 PolarHBondContact O-N 3.37Å; P557-I560 HydrophobicContact CB-CB 4.28Å; P557-I560 HydrophobicContact CB-CG2 4.34Å; P557-I560 HydrophobicContact CG-CG2 4.22Å; P557-I560 WeakPolarHBondContact O-CB 3.46Å; P557-I560 WeakPolarHBondContact O-CG2 3.49Å; P557-I560 PolarHBondContact O-N 3.06Å; P557-W576 HydrophobicContact CG-CE3 3.9Å; P557-W576 HydrophobicContact CG-CH2 3.94Å; P557-W576 HydrophobicContact CG-CZ3 3.49Å; P557-W576 VanDerWaalsContact CG-CZ3 3.49Å; P557-L580 HydrophobicContact CG-CD2 4.18Å
558	H	90.3	Very high	94.4	Very high	102 Å²	102	45.3 Å²	45.3	47%	0.472	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-18	-175.2	-63.6	88.2	0	0	0	115.7	T556	T556-H558 VanDerWaalsContact C-N 3.28Å; T556-H558 PolarHBondContact O-N 2.74Å; T556-H558 PolarHBondContact O-ND1 2.77Å
559	Q	89.2	Confident	94.5	Very high	47 Å²	47	47.2 Å²	47.2	22%	0.22	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-7.6	178.2	-57.7	-163.9	38.6	0	0	114.3	S536 L538 P557 A561	S536-Q559 PolarHBondContact O-NE2 3.26Å; L538-Q559 CarbonylContact O-C 3.59Å; L538-Q559 VanDerWaalsContact O-C 3.28Å; P557-Q559 PolarHBondContact O-N 3.37Å; Q559-A561 PolarHBondContact O-N 2.8Å
560	I	92.9	Very high	94.5	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.			trans	-69.5	130.3	-170.9	-159.9	173	0	0	0	111.5	L538 L541 P557 I562 L563 L580 Q582 I583	L538-I560 HydrophobicContact CD2-CD1 4.25Å; L538-I560 HydrophobicContact CG-CD1 4.33Å; L538-I560 VanDerWaalsContact O-CA 3.25Å; L538-I560 WeakPolarHBondContact O-CA 3.29Å; L538-I560 PolarHBondContact O-N 3.48Å; L541-I560 HydrophobicContact CB-CD1 4.11Å; P557-I560 HydrophobicContact CB-CB 4.28Å; P557-I560 HydrophobicContact CB-CG2 4.34Å; P557-I560 HydrophobicContact CG-CG2 4.22Å; P557-I560 WeakPolarHBondContact O-CB 3.46Å; P557-I560 WeakPolarHBondContact O-CG2 3.49Å; P557-I560 PolarHBondContact O-N 3.06Å; I560-I562 WeakPolarHBondContact CG1-O 3.24Å; I560-L563 HydrophobicContact CD1-CB 4.14Å; I560-L563 HydrophobicContact CD1-CD1 4.08Å; I560-L580 HydrophobicContact CG2-CD1 3.63Å; I560-L580 HydrophobicContact CG2-CD2 3.87Å; I560-L580 HydrophobicContact CG2-CG 4.22Å; I560-Q582 CarbonylContact O-C 3.47Å; I560-I583 HydrophobicContact CG2-CD1 4.09Å; I560-I583 WeakPolarHBondContact O-CA 3.45Å; I560-I583 PolarHBondContact O-N 3.08Å; I560-I583 VanDerWaalsContact O-N 3.1Å
561	A	93.5	Very high	94.6	Very high	16 Å²	16	42.8 Å²	42.8	13%	0.132	21%	0.207	C	C	.	.			trans	-113.1	-28	-179.3	0	0	0	0	0	112.4	S539 Q559 K584 R585	S539-A561 PolarHBondContact O-N 2.89Å; Q559-A561 PolarHBondContact O-N 2.8Å; A561-K584 HydrophobicContact CB-CG 4.45Å; A561-K584 WeakPolarHBondContact O-CA 3.38Å; A561-K584 WeakPolarHBondContact O-CB 3.44Å; A561-K584 PolarHBondContact O-N 3.25Å; A561-R585 PolarHBondContact O-N 2.72Å
562	I	94.8	Very high	94.6	Very high	22 Å²	22	45 Å²	45	11%	0.113	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	124.5	174.1	-56.1	-174.3	0	0	0	109.5	S539 E540 L541 I560 E564 R585 L587	S539-I562 PolarHBondContact O-N 3.45Å; E540-I562 WeakPolarHBondContact CA-O 3.24Å; E540-I562 HydrophobicContact CB-CB 4.23Å; E540-I562 HydrophobicContact CG-CB 3.99Å; E540-I562 HydrophobicContact CG-CD1 4.3Å; E540-I562 HydrophobicContact CG-CG1 4.17Å; L541-I562 PolarHBondContact N-O 2.75Å; I560-I562 WeakPolarHBondContact CG1-O 3.24Å; I562-E564 HydrophobicContact CG2-CB 4.49Å; I562-R585 WeakPolarHBondContact CA-O 3.09Å; I562-R585 HydrophobicContact CG1-CB 4.27Å; I562-R585 HydrophobicContact CG1-CG 4.32Å; I562-R585 HydrophobicContact CG2-CB 4.36Å; I562-L587 HydrophobicContact CG2-CD1 4.41Å
563	L	96.5	Very high	94.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	111.7	170.4	179.4	61.2	0	0	0	108.3	L541 I560 L565 W576 T577 I583 R585 I586 L587	L541-L563 HydrophobicContact CB-CD1 4.17Å; L541-L563 HydrophobicContact CD2-CD1 3.87Å; L541-L563 HydrophobicContact CG-CD1 4.32Å; I560-L563 HydrophobicContact CD1-CB 4.14Å; I560-L563 HydrophobicContact CD1-CD1 4.08Å; L563-L565 HydrophobicContact CD1-CD1 3.98Å; L563-L565 HydrophobicContact CD1-CD2 4.04Å; L563-L565 HydrophobicContact CD1-CG 3.88Å; L563-L565 HydrophobicContact CD2-CD1 4.26Å; L563-L565 HydrophobicContact CG-CD1 4.08Å; L563-L565 HydrophobicContact CG-CG 4.09Å; L563-W576 HydrophobicContact CD2-CH2 4.49Å; L563-T577 HydrophobicContact CD2-CG2 4.17Å; L563-I583 HydrophobicContact CB-CD1 4.08Å; L563-R585 PolarHBondContact N-O 3.04Å; L563-I586 HydrophobicContact CB-CG1 4.5Å; L563-I586 WeakPolarHBondContact O-CA 3.23Å; L563-L587 PolarHBondContact O-N 3.17Å
564	E	96.8	Very high	94.5	Very high	28 Å²	28	41.2 Å²	41.2	13%	0.131	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	106.4	-176.5	169.6	63	-90	0	0	109.7	L541 R542 A543 N544 I562 S566 L587	L541-E564 PolarHBondContact O-N 2.96Å; R542-E564 HydrophobicContact CB-CB 4.5Å; R542-E564 HydrophobicContact CG-CB 4.32Å; A543-E564 PolarHBondContact N-O 2.81Å; N544-E564 HydrophobicContact CB-CG 3.96Å; N544-E564 WeakPolarHBondContact OD1-CG 3.49Å; I562-E564 HydrophobicContact CG2-CB 4.49Å; E564-S566 WeakPolarHBondContact OE1-CB 3.49Å; E564-S566 PolarHBondContact OE1-N 3.2Å; E564-S566 PolarHBondContact OE1-OG 3.06Å; E564-L587 WeakPolarHBondContact CA-O 3.36Å; E564-L587 WeakPolarHBondContact OE1-CB 3.44Å; E564-L587 VanDerWaalsContact OE2-CB 3.31Å; E564-L587 WeakPolarHBondContact OE2-CB 3.32Å; E564-L587 WeakPolarHBondContact OE2-CD2 3.49Å
565	L	97.6	Very high	94.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.201	C	C	.	.			trans	-127.8	16.4	-175.5	-55.3	176.5	0	0	0	111.8	L541 A543 L551 L563 N568 L587 N591	L541-L565 HydrophobicContact CD2-CD2 4.34Å; A543-L565 HydrophobicContact CB-CD2 4.06Å; L551-L565 HydrophobicContact CD2-CD1 3.71Å; L551-L565 HydrophobicContact CD2-CD2 4.19Å; L563-L565 HydrophobicContact CD1-CD1 3.98Å; L563-L565 HydrophobicContact CD1-CD2 4.04Å; L563-L565 HydrophobicContact CD1-CG 3.88Å; L563-L565 HydrophobicContact CD2-CD1 4.26Å; L563-L565 HydrophobicContact CG-CD1 4.08Å; L563-L565 HydrophobicContact CG-CG 4.09Å; L565-N568 WeakPolarHBondContact O-CB 3.39Å; L565-N568 PolarHBondContact O-ND2 2.87Å; L565-L587 PolarHBondContact N-O 3.05Å; L565-N591 PolarHBondContact O-ND2 3.19Å
566	S	97.2	Very high	94.4	Very high	6 Å²	6	36 Å²	36	4%	0.042	19%	0.186	C	C	.	.			trans	-66.1	150.3	-173.5	-47.6	0	0	0	0	113	N544 K545 E564 L587 C588 S589	N544-S566 CarbonylContact C-O 3.46Å; N544-S566 WeakPolarHBondContact CA-O 3.47Å; N544-S566 WeakPolarHBondContact CB-O 3.44Å; K545-S566 PolarHBondContact N-O 2.86Å; E564-S566 WeakPolarHBondContact OE1-CB 3.49Å; E564-S566 PolarHBondContact OE1-N 3.2Å; E564-S566 PolarHBondContact OE1-OG 3.06Å; S566-L587 VanDerWaalsContact OG-C 3.28Å; S566-L587 PolarHBondContact OG-O 3.37Å; S566-C588 PolarHBondContact OG-N 3.22Å; S566-S589 CarbonylContact C-O 3.57Å; S566-S589 WeakPolarHBondContact CA-O 3.46Å; S566-S589 WeakPolarHBondContact CB-O 3.31Å; S566-S589 WeakPolarHBondContact CB-OG 3.29Å; S566-S589 PolarHBondContact OG-N 3.44Å; S566-S589 PolarHBondContact OG-OG 3.37Å
567	H	96.4	Very high	94.4	Very high	79 Å²	79	34.3 Å²	34.3	37%	0.366	18%	0.176	S	C	.	.	S	Bend	trans	54.7	69.7	-170.9	-51.5	-85.6	0	0	0	112.1	K545 N546 S589 H590	K545-H567 WeakPolarHBondContact CA-O 3.44Å; K545-H567 HydrophobicContact CB-CB 4.44Å; K545-H567 HydrophobicContact CG-CB 3.91Å; K545-H567 PolarHBondContact N-O 3.28Å; K545-H567 VanDerWaalsContact N-O 3.12Å; N546-H567 PolarHBondContact N-O 3.47Å; H567-S589 PolarHBondContact N-O 3.23Å; H567-H590 VanDerWaalsContact CA-O 3.22Å; H567-H590 WeakPolarHBondContact CA-O 3.37Å; H567-H590 HydrophobicContact CB-CB 4.36Å; H567-H590 AromaticContact CE1-CD2 3.66Å; H567-H590 AromaticContact CE1-CE1 3.66Å; H567-H590 AromaticContact CE1-CG 3.35Å; H567-H590 AromaticContact CE1-ND1 3.35Å; H567-H590 PolarHBondContact CE1-ND1 2.97Å; H567-H590 VanDerWaalsContact CE1-ND1 3.35Å; H567-H590 AromaticContact CE1-NE2 3.83Å; H567-H590 PolarHBondContact N-O 3.33Å; H567-H590 VanDerWaalsContact ND1-CB 3.33Å; H567-H590 WeakPolarHBondContact ND1-CB 3.31Å; H567-H590 AromaticContact ND1-CD2 3.79Å; H567-H590 AromaticContact ND1-CG 3.39Å; H567-H590 AromaticContact ND1-ND1 3.84Å; H567-H590 AromaticContact NE2-ND1 3.85Å
568	N	97.9	Very high	94.2	Very high	8 Å²	8	35.9 Å²	35.9	4%	0.043	19%	0.185	C	C	.	.	S	Bend	trans	-139.8	-159	176.3	-89	-66.1	0	0	0	110.1	A543 N546 K547 I548 L565 M570 H590 N591	A543-N568 PolarHBondContact O-ND2 3.01Å; N546-N568 VanDerWaalsContact CA-OD1 3.29Å; N546-N568 WeakPolarHBondContact CA-OD1 3.07Å; N546-N568 WeakPolarHBondContact CB-OD1 3.41Å; N546-N568 PolarHBondContact N-OD1 2.58Å; N546-N568 PolarHBondContact O-OD1 3.3Å; K547-N568 PolarHBondContact N-OD1 3.43Å; I548-N568 HydrophobicContact CB-CB 4.35Å; I548-N568 WeakPolarHBondContact CB-OD1 3.47Å; I548-N568 WeakPolarHBondContact CG1-OD1 3.49Å; I548-N568 PolarHBondContact N-OD1 3.19Å; L565-N568 WeakPolarHBondContact O-CB 3.39Å; L565-N568 PolarHBondContact O-ND2 2.87Å; N568-M570 HydrophobicContact CB-CG 4.37Å; N568-H590 PolarHBondContact N-O 2.99Å; N568-N591 WeakPolarHBondContact CA-OD1 3.35Å; N568-N591 WeakPolarHBondContact CB-OD1 3.28Å; N568-N591 PolarHBondContact N-OD1 3.34Å; N568-N591 PolarHBondContact O-OD1 2.89Å
569	C	97.6	Very high	94.1	Very high	39 Å²	39	35.9 Å²	35.9	26%	0.264	19%	0.185	S	C	.	.			trans	-125.1	35.1	179.8	-58.5	0	0	0	0	111.6	I548 R549 N591 Y592	I548-C569 CarbonylContact O-C 3.53Å; I548-C569 WeakPolarHBondContact O-CA 3.17Å; I548-C569 PolarHBondContact O-N 3.18Å; R549-C569 HydrophobicContact CB-CB 4.37Å; C569-N591 PolarHBondContact N-OD1 3.37Å; C569-Y592 HydrophobicContact CB-CD2 4.47Å; C569-Y592 HydrophobicContact CB-CE2 4.28Å
570	M	96.6	Very high	94.2	Very high	12 Å²	12	33.7 Å²	33.7	6%	0.059	18%	0.175	C	C	.	.			trans	-75.8	127.8	179.8	-60.4	-70.4	-66.2	0	0	110.8	I548 L551 N568 S572 N591 Y592 I593	I548-M570 HydrophobicContact CG2-SD 3.91Å; I548-M570 PolarHBondContact O-N 2.88Å; L551-M570 HydrophobicContact CB-CE 4.16Å; L551-M570 HydrophobicContact CB-SD 4.4Å; N568-M570 HydrophobicContact CB-CG 4.37Å; M570-S572 WeakPolarHBondContact CE-O 3.43Å; M570-N591 HydrophobicContact CB-CB 4.29Å; M570-N591 WeakPolarHBondContact CB-OD1 3.13Å; M570-N591 WeakPolarHBondContact CG-OD1 3.38Å; M570-N591 PolarHBondContact N-OD1 2.91Å; M570-Y592 CarbonylContact O-C 3.57Å; M570-Y592 WeakPolarHBondContact O-CA 3.23Å; M570-Y592 PolarHBondContact O-N 2.93Å; M570-I593 PolarHBondContact O-N 2.96Å
571	E	96.2	Very high	93.9	Very high	104 Å²	104	38.5 Å²	38.5	49%	0.486	20%	0.204	S	C	.	.	S	Bend	trans	-91.4	-16.4	175.8	-74.3	162	-126.9	0	0	113.1	R549 I593	R549-E571 IonicContact CZ-OE1 3.3Å; R549-E571 IonicContact NE-OE1 3.02Å; R549-E571 PolarHBondContact NE-OE1 2.62Å; R549-E571 IonicContact NH2-OE1 2.66Å; R549-E571 PolarHBondContact NH2-OE1 2.98Å; R549-E571 IonicContact NH2-OE2 3.66Å; E571-I593 WeakPolarHBondContact O-CA 3.38Å
572	S	95.9	Very high	93.7	Very high	68 Å²	68	41.6 Å²	41.6	48%	0.476	22%	0.216	S	C	.	.	S	Bend	trans	-151.7	166.4	175.7	72.4	0	0	0	0	111.2	M570	M570-S572 WeakPolarHBondContact CE-O 3.43Å
573	L	94.2	Very high	93.6	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.016	21%	0.211	C	C	.	.			trans	-82.3	150.3	159.4	-62.6	-179.3	0	0	0	109.8	C588 I593 L596 P597 L600 L612	L573-C588 HydrophobicContact CD2-CB 4.06Å; L573-I593 HydrophobicContact CD2-CD1 3.73Å; L573-I593 HydrophobicContact CG-CD1 4.15Å; L573-L596 HydrophobicContact CD1-CD2 3.84Å; L573-L596 HydrophobicContact CG-CD2 4.34Å; L573-P597 HydrophobicContact CB-CG 4.26Å; L573-L600 HydrophobicContact CD1-CD2 3.7Å; L573-L612 HydrophobicContact CD1-CD2 4.2Å; L573-L612 HydrophobicContact CD2-CD2 4.47Å
574	P	92.6	Very high	93.5	Very high	20 Å²	20	45.5 Å²	45.5	13%	0.13	23%	0.232	C	C	.	.			trans	-68.4	136.4	171.4	-19	32.2	0	0	0	112.2	L551 W576 T577	L551-P574 HydrophobicContact CD2-CG 4.43Å; P574-W576 HydrophobicContact CB-CD2 3.95Å; P574-W576 VanDerWaalsContact CB-CE2 3.41Å; P574-W576 HydrophobicContact CB-CG 4.18Å; P574-W576 HydrophobicContact CB-CZ2 3.77Å; P574-W576 VanDerWaalsContact CB-NE1 3.32Å; P574-W576 HydrophobicContact CG-CH2 4.38Å; P574-W576 HydrophobicContact CG-CZ2 3.74Å; P574-W576 PolarHBondContact O-N 3.19Å; P574-T577 VanDerWaalsContact O-CB 3.32Å; P574-T577 WeakPolarHBondContact O-CB 3.44Å; P574-T577 VanDerWaalsContact O-CG2 3.29Å; P574-T577 WeakPolarHBondContact O-CG2 3.48Å; P574-T577 PolarHBondContact O-N 3.12Å; P574-T577 PolarHBondContact O-OG1 2.77Å
575	E	90.8	Very high	93.5	Very high	127 Å²	127	48 Å²	48	59%	0.593	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-54.1	-36.6	-179.8	-72.6	-57.8	129.7	0	0	114.2	T577 T578	E575-T577 PolarHBondContact O-N 3.31Å; E575-T578 WeakPolarHBondContact O-CG2 3.22Å; E575-T578 PolarHBondContact O-N 2.86Å; E575-T578 PolarHBondContact O-OG1 2.78Å
576	W	91.2	Very high	93.4	Very high	40 Å²	40	48 Å²	48	15%	0.152	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-62.3	-10.3	177.5	57.4	-108.7	0	0	0	113.9	I553 T556 P557 L563 P574 T578 E579 L580	I553-W576 HydrophobicContact CB-CZ2 4.1Å; I553-W576 HydrophobicContact CD1-CH2 3.8Å; I553-W576 HydrophobicContact CD1-CZ2 3.98Å; I553-W576 HydrophobicContact CG1-CH2 4.43Å; I553-W576 HydrophobicContact CG1-CZ2 4.11Å; T556-W576 HydrophobicContact CG2-CB 4Å; P557-W576 HydrophobicContact CG-CE3 3.9Å; P557-W576 HydrophobicContact CG-CH2 3.94Å; P557-W576 HydrophobicContact CG-CZ3 3.49Å; P557-W576 VanDerWaalsContact CG-CZ3 3.49Å; L563-W576 HydrophobicContact CD2-CH2 4.49Å; P574-W576 HydrophobicContact CB-CD2 3.95Å; P574-W576 VanDerWaalsContact CB-CE2 3.41Å; P574-W576 HydrophobicContact CB-CG 4.18Å; P574-W576 HydrophobicContact CB-CZ2 3.77Å; P574-W576 VanDerWaalsContact CB-NE1 3.32Å; P574-W576 HydrophobicContact CG-CH2 4.38Å; P574-W576 HydrophobicContact CG-CZ2 3.74Å; P574-W576 PolarHBondContact O-N 3.19Å; W576-T578 PolarHBondContact O-N 2.82Å; W576-E579 PolarHBondContact O-N 3.04Å; W576-E579 VanDerWaalsContact O-N 3.1Å; W576-L580 HydrophobicContact CE3-CD1 4.15Å; W576-L580 HydrophobicContact CE3-CD2 4Å; W576-L580 HydrophobicContact CE3-CG 4.34Å; W576-L580 HydrophobicContact CZ3-CD1 3.98Å; W576-L580 HydrophobicContact CZ3-CD2 4.31Å; W576-L580 WeakPolarHBondContact O-CG 3.37Å
577	T	91.8	Very high	93.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-61.2	-22.8	170.6	55.6	0	0	0	0	113.1	L563 P574 E575 E579 L580	L563-T577 HydrophobicContact CD2-CG2 4.17Å; P574-T577 VanDerWaalsContact O-CB 3.32Å; P574-T577 WeakPolarHBondContact O-CB 3.44Å; P574-T577 VanDerWaalsContact O-CG2 3.29Å; P574-T577 WeakPolarHBondContact O-CG2 3.48Å; P574-T577 PolarHBondContact O-N 3.12Å; P574-T577 PolarHBondContact O-OG1 2.77Å; E575-T577 PolarHBondContact O-N 3.31Å; T577-E579 VanDerWaalsContact C-N 3.32Å; T577-L580 HydrophobicContact CG2-CD1 4.36Å
578	T	88.8	Confident	93.5	Very high	33 Å²	33	44.7 Å²	44.7	20%	0.202	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-74.9	-18	175.4	64.8	0	0	0	0	113.8	E575 W576 P597 R599 L600	E575-T578 WeakPolarHBondContact O-CG2 3.22Å; E575-T578 PolarHBondContact O-N 2.86Å; E575-T578 PolarHBondContact O-OG1 2.78Å; W576-T578 PolarHBondContact O-N 2.82Å; T578-P597 HydrophobicContact CG2-CB 3.48Å; T578-P597 VanDerWaalsContact CG2-CB 3.48Å; T578-P597 HydrophobicContact CG2-CG 4.45Å; T578-R599 HydrophobicContact CG2-CB 3.89Å; T578-L600 HydrophobicContact CG2-CB 4.35Å
579	E	88.4	Confident	93.5	Very high	101 Å²	101	44.9 Å²	44.9	47%	0.472	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-91.7	-4.9	-176.3	-55.1	179.2	152.2	0	0	112.9	T556 W576 T577 V581	T556-E579 HydrophobicContact CG2-CB 4.49Å; W576-E579 PolarHBondContact O-N 3.04Å; W576-E579 VanDerWaalsContact O-N 3.1Å; T577-E579 VanDerWaalsContact C-N 3.32Å; E579-V581 PolarHBondContact O-N 3.16Å
580	L	90.1	Very high	93.4	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	23%	0.229	C	C	.	.			trans	-82.4	82.6	-164.8	-57.9	177.8	0	0	0	113.4	T556 P557 I560 W576 T577 Q582 I583	T556-L580 HydrophobicContact CG2-CD2 4.22Å; P557-L580 HydrophobicContact CG-CD2 4.18Å; I560-L580 HydrophobicContact CG2-CD1 3.63Å; I560-L580 HydrophobicContact CG2-CD2 3.87Å; I560-L580 HydrophobicContact CG2-CG 4.22Å; W576-L580 HydrophobicContact CE3-CD1 4.15Å; W576-L580 HydrophobicContact CE3-CD2 4Å; W576-L580 HydrophobicContact CE3-CG 4.34Å; W576-L580 HydrophobicContact CZ3-CD1 3.98Å; W576-L580 HydrophobicContact CZ3-CD2 4.31Å; W576-L580 WeakPolarHBondContact O-CG 3.37Å; T577-L580 HydrophobicContact CG2-CD1 4.36Å; L580-Q582 PolarHBondContact O-N 2.82Å; L580-I583 HydrophobicContact CB-CB 3.74Å; L580-I583 HydrophobicContact CB-CG2 3.81Å; L580-I583 HydrophobicContact CD1-CB 4.11Å; L580-I583 HydrophobicContact CD1-CD1 4.31Å; L580-I583 HydrophobicContact CD1-CG1 4.29Å; L580-I583 VanDerWaalsContact O-CG2 3.29Å; L580-I583 WeakPolarHBondContact O-CG2 3.13Å; L580-I583 PolarHBondContact O-N 3.21Å
581	V	86.3	Confident	93.5	Very high	101 Å²	101	45.8 Å²	45.8	61%	0.612	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-20.5	-178.3	-153	0	0	0	0	114.4	E579 S606	E579-V581 PolarHBondContact O-N 3.16Å; V581-S606 WeakPolarHBondContact O-CB 3.41Å; V581-S606 PolarHBondContact O-OG 3.09Å
582	Q	89.8	Confident	93.5	Very high	82 Å²	82	44.6 Å²	44.6	38%	0.383	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-5.1	179.5	-65	-61.3	-57.7	0	0	115.6	I560 L580 K584	I560-Q582 CarbonylContact O-C 3.47Å; L580-Q582 PolarHBondContact O-N 2.82Å; Q582-K584 WeakPolarHBondContact O-CG 3.5Å; Q582-K584 PolarHBondContact O-N 3.45Å
583	I	93.1	Very high	93.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.196	C	C	.	.			trans	-64.2	135.1	-174.3	-167.5	68.7	0	0	0	110.9	I560 L563 L580 I586 V604 S606 L607	I560-I583 HydrophobicContact CG2-CD1 4.09Å; I560-I583 WeakPolarHBondContact O-CA 3.45Å; I560-I583 PolarHBondContact O-N 3.08Å; I560-I583 VanDerWaalsContact O-N 3.1Å; L563-I583 HydrophobicContact CB-CD1 4.08Å; L580-I583 HydrophobicContact CB-CB 3.74Å; L580-I583 HydrophobicContact CB-CG2 3.81Å; L580-I583 HydrophobicContact CD1-CB 4.11Å; L580-I583 HydrophobicContact CD1-CD1 4.31Å; L580-I583 HydrophobicContact CD1-CG1 4.29Å; L580-I583 VanDerWaalsContact O-CG2 3.29Å; L580-I583 WeakPolarHBondContact O-CG2 3.13Å; L580-I583 PolarHBondContact O-N 3.21Å; I583-I586 HydrophobicContact CD1-CG1 3.96Å; I583-I586 HydrophobicContact CG1-CD1 4.08Å; I583-I586 HydrophobicContact CG1-CG1 3.65Å; I583-V604 HydrophobicContact CG2-CG1 3.65Å; I583-S606 CarbonylContact O-C 3.45Å; I583-S606 VanDerWaalsContact O-CB 3.22Å; I583-S606 WeakPolarHBondContact O-CB 3.34Å; I583-S606 VanDerWaalsContact O-O 3.06Å; I583-S606 PolarHBondContact O-OG 3.28Å; I583-L607 HydrophobicContact CG1-CD1 4.22Å; I583-L607 HydrophobicContact CG2-CB 4.02Å; I583-L607 HydrophobicContact CG2-CD1 4.24Å; I583-L607 WeakPolarHBondContact O-CA 3.41Å; I583-L607 PolarHBondContact O-N 3Å; I583-L607 VanDerWaalsContact O-N 3.09Å
584	K	94.2	Very high	93.7	Very high	103 Å²	103	45 Å²	45	45%	0.448	21%	0.213	S	C	.	.			trans	-119.8	-39.8	178.1	-55.2	-170.2	179.4	-171.2	0	111.7	A561 Q582 N608 Y609	A561-K584 HydrophobicContact CB-CG 4.45Å; A561-K584 WeakPolarHBondContact O-CA 3.38Å; A561-K584 WeakPolarHBondContact O-CB 3.44Å; A561-K584 PolarHBondContact O-N 3.25Å; Q582-K584 WeakPolarHBondContact O-CG 3.5Å; Q582-K584 PolarHBondContact O-N 3.45Å; K584-N608 PolarHBondContact O-N 3.19Å; K584-N608 PolarHBondContact O-OD1 2.76Å; K584-N608 VanDerWaalsContact O-OD1 3.12Å; K584-Y609 PolarHBondContact O-N 3.39Å
585	R	96.6	Very high	93.9	Very high	82 Å²	82	47 Å²	47	31%	0.309	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	120.2	-177.2	-46.7	-167.2	67	-147.4	-3.9	110.6	A561 I562 L563 L587 Y609	A561-R585 PolarHBondContact O-N 2.72Å; I562-R585 WeakPolarHBondContact CA-O 3.09Å; I562-R585 HydrophobicContact CG1-CB 4.27Å; I562-R585 HydrophobicContact CG1-CG 4.32Å; I562-R585 HydrophobicContact CG2-CB 4.36Å; L563-R585 PolarHBondContact N-O 3.04Å; R585-L587 HydrophobicContact CB-CD1 3.86Å; R585-Y609 VanDerWaalsContact CA-O 3.3Å; R585-Y609 WeakPolarHBondContact CA-O 3.44Å; R585-Y609 HydrophobicContact CB-CD1 4.49Å
586	I	96.6	Very high	94.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.2	162.6	-62	173.7	0	0	0	106.5	L563 I583 L600 L607 Y609 L610 D611	L563-I586 HydrophobicContact CB-CG1 4.5Å; L563-I586 WeakPolarHBondContact O-CA 3.23Å; I583-I586 HydrophobicContact CD1-CG1 3.96Å; I583-I586 HydrophobicContact CG1-CD1 4.08Å; I583-I586 HydrophobicContact CG1-CG1 3.65Å; I586-L600 HydrophobicContact CD1-CD1 4.08Å; I586-L607 HydrophobicContact CB-CD1 4.47Å; I586-L607 HydrophobicContact CD1-CD1 4.14Å; I586-L607 HydrophobicContact CD1-CD2 4.23Å; I586-L607 HydrophobicContact CG1-CD1 4Å; I586-Y609 PolarHBondContact N-O 3.12Å; I586-L610 HydrophobicContact CB-CD1 3.71Å; I586-L610 HydrophobicContact CD1-CD1 4.49Å; I586-L610 HydrophobicContact CG2-CD1 3.91Å; I586-L610 WeakPolarHBondContact O-CA 3.35Å; I586-D611 PolarHBondContact O-N 2.83Å
587	L	97.8	Very high	94.2	Very high	14 Å²	14	40 Å²	40	7%	0.073	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	114.4	173.2	-59.1	99.8	0	0	0	107.4	I562 L563 E564 L565 S566 R585 Y609 D611	I562-L587 HydrophobicContact CG2-CD1 4.41Å; L563-L587 PolarHBondContact O-N 3.17Å; E564-L587 WeakPolarHBondContact CA-O 3.36Å; E564-L587 WeakPolarHBondContact OE1-CB 3.44Å; E564-L587 VanDerWaalsContact OE2-CB 3.31Å; E564-L587 WeakPolarHBondContact OE2-CB 3.32Å; E564-L587 WeakPolarHBondContact OE2-CD2 3.49Å; L565-L587 PolarHBondContact N-O 3.05Å; S566-L587 VanDerWaalsContact OG-C 3.28Å; S566-L587 PolarHBondContact OG-O 3.37Å; R585-L587 HydrophobicContact CB-CD1 3.86Å; L587-Y609 HydrophobicContact CD2-CD1 4.39Å; L587-Y609 HydrophobicContact CD2-CE1 3.69Å; L587-Y609 HydrophobicContact CG-CD1 4.25Å; L587-Y609 HydrophobicContact CG-CE1 3.98Å; L587-D611 HydrophobicContact CD2-CB 4.47Å; L587-D611 HydrophobicContact CG-CB 4.4Å
588	C	97.7	Very high	94.1	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.007	23%	0.23	C	C	.	.			trans	-140.1	30.5	-176.5	-68.3	0	0	0	0	110.5	S566 L573 N591 I593 D611 L612 N615	S566-C588 PolarHBondContact OG-N 3.22Å; L573-C588 HydrophobicContact CD2-CB 4.06Å; C588-N591 PolarHBondContact O-ND2 3.07Å; C588-N591 VanDerWaalsContact O-ND2 3.09Å; C588-I593 HydrophobicContact CB-CD1 3.98Å; C588-D611 PolarHBondContact N-O 2.83Å; C588-L612 HydrophobicContact CB-CD2 4.02Å; C588-N615 PolarHBondContact O-ND2 2.81Å
589	S	96.5	Very high	94.1	Very high	11 Å²	11	52.7 Å²	52.7	8%	0.077	25%	0.254	C	S	.	.			trans	-67.6	160	-179.2	65.4	0	0	0	0	111.8	S566 H567 N591 S613	S566-S589 CarbonylContact C-O 3.57Å; S566-S589 WeakPolarHBondContact CA-O 3.46Å; S566-S589 WeakPolarHBondContact CB-O 3.31Å; S566-S589 WeakPolarHBondContact CB-OG 3.29Å; S566-S589 PolarHBondContact OG-N 3.44Å; S566-S589 PolarHBondContact OG-OG 3.37Å; H567-S589 PolarHBondContact N-O 3.23Å; S589-N591 PolarHBondContact O-ND2 2.98Å; S589-S613 CarbonylContact C-O 3.47Å; S589-S613 WeakPolarHBondContact CA-O 3.29Å; S589-S613 WeakPolarHBondContact CB-O 3.32Å; S589-S613 WeakPolarHBondContact CB-OG 3.34Å
590	H	96.4	Very high	94.2	Very high	66 Å²	66	48 Å²	48	31%	0.306	23%	0.232	S	C	.	.	S	Bend	trans	55.1	59.5	-177.7	-60	83	0	0	0	112.4	H567 N568 S613 H614	H567-H590 VanDerWaalsContact CA-O 3.22Å; H567-H590 WeakPolarHBondContact CA-O 3.37Å; H567-H590 HydrophobicContact CB-CB 4.36Å; H567-H590 AromaticContact CE1-CD2 3.66Å; H567-H590 AromaticContact CE1-CE1 3.66Å; H567-H590 AromaticContact CE1-CG 3.35Å; H567-H590 AromaticContact CE1-ND1 3.35Å; H567-H590 PolarHBondContact CE1-ND1 2.97Å; H567-H590 VanDerWaalsContact CE1-ND1 3.35Å; H567-H590 AromaticContact CE1-NE2 3.83Å; H567-H590 PolarHBondContact N-O 3.33Å; H567-H590 VanDerWaalsContact ND1-CB 3.33Å; H567-H590 WeakPolarHBondContact ND1-CB 3.31Å; H567-H590 AromaticContact ND1-CD2 3.79Å; H567-H590 AromaticContact ND1-CG 3.39Å; H567-H590 AromaticContact ND1-ND1 3.84Å; H567-H590 AromaticContact NE2-ND1 3.85Å; N568-H590 PolarHBondContact N-O 2.99Å; H590-S613 PolarHBondContact N-O 3.49Å; H590-H614 WeakPolarHBondContact CA-O 3.45Å; H590-H614 AromaticContact CD2-CG 3.98Å; H590-H614 AromaticContact CE1-CD2 3.53Å; H590-H614 AromaticContact CE1-CG 3.69Å; H590-H614 PolarHBondContact N-O 3.41Å; H590-H614 VanDerWaalsContact N-O 3.11Å; H590-H614 AromaticContact NE2-CD2 3.8Å; H590-H614 AromaticContact NE2-CG 3.58Å; H590-H614 AromaticContact NE2-ND1 3.9Å
591	N	97.9	Very high	94.2	Very high	5 Å²	5	48.2 Å²	48.2	3%	0.027	23%	0.233	C	C	.	.	S	Bend	trans	-137.9	-174.5	174.5	-83.2	-81.6	0	0	0	108.9	L565 N568 C569 M570 C588 S589 I593 H614 N615	L565-N591 PolarHBondContact O-ND2 3.19Å; N568-N591 WeakPolarHBondContact CA-OD1 3.35Å; N568-N591 WeakPolarHBondContact CB-OD1 3.28Å; N568-N591 PolarHBondContact N-OD1 3.34Å; N568-N591 PolarHBondContact O-OD1 2.89Å; C569-N591 PolarHBondContact N-OD1 3.37Å; M570-N591 HydrophobicContact CB-CB 4.29Å; M570-N591 WeakPolarHBondContact CB-OD1 3.13Å; M570-N591 WeakPolarHBondContact CG-OD1 3.38Å; M570-N591 PolarHBondContact N-OD1 2.91Å; C588-N591 PolarHBondContact O-ND2 3.07Å; C588-N591 VanDerWaalsContact O-ND2 3.09Å; S589-N591 PolarHBondContact O-ND2 2.98Å; N591-I593 HydrophobicContact CB-CD1 4.24Å; N591-I593 HydrophobicContact CB-CG1 4.16Å; N591-H614 PolarHBondContact N-O 3.5Å; N591-N615 WeakPolarHBondContact CA-OD1 3.19Å; N591-N615 WeakPolarHBondContact CB-OD1 3.42Å; N591-N615 PolarHBondContact O-OD1 3.11Å; N591-N615 VanDerWaalsContact O-OD1 3.13Å
592	Y	97.5	Very high	94	Very high	78 Å²	78	44.7 Å²	44.7	31%	0.306	21%	0.212	S	C	.	.			trans	-107.7	27.2	-177.4	-58.3	-77.6	0	0	0	112.6	C569 M570 E594 H616	C569-Y592 HydrophobicContact CB-CD2 4.47Å; C569-Y592 HydrophobicContact CB-CE2 4.28Å; M570-Y592 CarbonylContact O-C 3.57Å; M570-Y592 WeakPolarHBondContact O-CA 3.23Å; M570-Y592 PolarHBondContact O-N 2.93Å; Y592-E594 PolarHBondContact O-N 2.81Å; Y592-H616 AromaticContact CD1-NE2 3.75Å
593	I	97.9	Very high	93	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.214	C	C	.	.			trans	-68.3	116.7	-172.3	-59.7	166.9	0	0	0	110.3	M570 E571 L573 C588 N591 A595 L596 L612 N615 H616 I617	M570-I593 PolarHBondContact O-N 2.96Å; E571-I593 WeakPolarHBondContact O-CA 3.38Å; L573-I593 HydrophobicContact CD2-CD1 3.73Å; L573-I593 HydrophobicContact CG-CD1 4.15Å; C588-I593 HydrophobicContact CB-CD1 3.98Å; N591-I593 HydrophobicContact CB-CD1 4.24Å; N591-I593 HydrophobicContact CB-CG1 4.16Å; I593-A595 WeakPolarHBondContact CG2-O 3.41Å; I593-L596 HydrophobicContact CG2-CD2 4.04Å; I593-L612 HydrophobicContact CD1-CD2 4.15Å; I593-N615 HydrophobicContact CB-CB 4.36Å; I593-N615 WeakPolarHBondContact CB-OD1 3.41Å; I593-N615 VanDerWaalsContact CG1-OD1 3.31Å; I593-N615 WeakPolarHBondContact CG1-OD1 3.38Å; I593-N615 PolarHBondContact N-OD1 3.24Å; I593-H616 CarbonylContact O-C 2.94Å; I593-H616 WeakPolarHBondContact O-CA 3.44Å; I593-H616 PolarHBondContact O-N 2.94Å; I593-I617 HydrophobicContact CG2-CG1 4.21Å; I593-I617 WeakPolarHBondContact O-CG1 3.34Å; I593-I617 PolarHBondContact O-N 2.99Å; I593-I617 VanDerWaalsContact O-N 3.08Å
594	E	96.7	Very high	91.5	Very high	81 Å²	81	45.2 Å²	45.2	38%	0.379	22%	0.218	S	C	.	.			trans	-90.7	-26.6	179.4	-62.7	-135.5	112.3	0	0	114.2	Y592 H616 I617 R618	Y592-E594 PolarHBondContact O-N 2.81Å; E594-H616 HydrophobicContact CG-CB 4.18Å; E594-I617 WeakPolarHBondContact O-CA 3.43Å; E594-R618 PolarHBondContact O-N 2.83Å; E594-R618 IonicContact OE1-CZ 3.56Å; E594-R618 VanDerWaalsContact OE1-CZ 3.3Å; E594-R618 IonicContact OE1-NE 3.49Å; E594-R618 PolarHBondContact OE1-NE 3.06Å; E594-R618 IonicContact OE1-NH2 2.67Å; E594-R618 PolarHBondContact OE1-NH2 3.23Å; E594-R618 IonicContact OE2-CZ 2.68Å; E594-R618 VanDerWaalsContact OE2-CZ 3.22Å; E594-R618 IonicContact OE2-NE 3.94Å; E594-R618 IonicContact OE2-NH1 2.71Å; E594-R618 IonicContact OE2-NH2 2.68Å; E594-R618 PolarHBondContact OE2-NH2 2.67Å
595	A	96	Very high	90.5	Very high	61 Å²	61	44.3 Å²	44.3	50%	0.504	22%	0.218	S	C	.	.			trans	-149.2	162.5	-174.2	0	0	0	0	0	111.4	I593	I593-A595 WeakPolarHBondContact CG2-O 3.41Å
596	L	95.1	Very high	90.1	Very high	16 Å²	16	41.9 Å²	41.9	8%	0.084	21%	0.213	C	C	.	.			trans	-120.1	146.1	179.8	-57.4	175.6	0	0	0	110	L573 I593 D598 L600 L612 I617 L620 P621	L573-L596 HydrophobicContact CD1-CD2 3.84Å; L573-L596 HydrophobicContact CG-CD2 4.34Å; I593-L596 HydrophobicContact CG2-CD2 4.04Å; L596-D598 PolarHBondContact O-N 3.31Å; L596-L600 HydrophobicContact CB-CD2 4.24Å; L596-L600 HydrophobicContact CD1-CD2 4.44Å; L596-L600 HydrophobicContact CD2-CD2 4.36Å; L596-L612 HydrophobicContact CD1-CD1 3.67Å; L596-L612 HydrophobicContact CD2-CD1 3.6Å; L596-L612 HydrophobicContact CD2-CD2 4.14Å; L596-L612 HydrophobicContact CG-CD1 4.29Å; L596-I617 HydrophobicContact CD1-CD1 4.3Å; L596-I617 HydrophobicContact CD2-CD1 3.93Å; L596-I617 HydrophobicContact CG-CD1 4.22Å; L596-L620 HydrophobicContact CD1-CD2 3.86Å; L596-P621 HydrophobicContact CB-CG 4.27Å
597	P	93.2	Very high	89.9	Confident	4 Å²	4	42 Å²	42	3%	0.026	21%	0.214	C	C	.	.			trans	-53.2	132.9	172.6	-28.9	36.4	0	0	0	112.2	L573 T578 R599 L600	L573-P597 HydrophobicContact CB-CG 4.26Å; T578-P597 HydrophobicContact CG2-CB 3.48Å; T578-P597 VanDerWaalsContact CG2-CB 3.48Å; T578-P597 HydrophobicContact CG2-CG 4.45Å; P597-R599 PolarHBondContact O-N 3.03Å; P597-L600 VanDerWaalsContact O-CB 3.24Å; P597-L600 WeakPolarHBondContact O-CB 3.41Å; P597-L600 PolarHBondContact O-N 3.26Å
598	D	89.8	Confident	89.7	Confident	116 Å²	116	43.6 Å²	43.6	62%	0.62	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-55.6	-35.3	-170.1	-75.9	-37	0	0	0	113.4	L596 P621	L596-D598 PolarHBondContact O-N 3.31Å; D598-P621 VanDerWaalsContact O-CB 3.24Å; D598-P621 WeakPolarHBondContact O-CB 3.43Å
599	R	89.5	Confident	89.6	Confident	184 Å²	184	45.9 Å²	45.9	69%	0.694	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-87.7	-0	-176.6	-66.1	179.9	-179.4	174.5	0.5	114.7	T578 P597 L601 T602	T578-R599 HydrophobicContact CG2-CB 3.89Å; P597-R599 PolarHBondContact O-N 3.03Å; R599-L601 PolarHBondContact O-N 2.89Å; R599-L601 VanDerWaalsContact O-N 3.15Å; R599-T602 VanDerWaalsContact CA-OG1 3.26Å; R599-T602 WeakPolarHBondContact CA-OG1 3.35Å; R599-T602 PolarHBondContact O-N 2.97Å; R599-T602 VanDerWaalsContact O-N 3.13Å; R599-T602 PolarHBondContact O-OG1 3.29Å
600	L	90.4	Very high	89.6	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.01	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-61.7	-27.4	-174.8	-174	66.4	0	0	0	113.1	L573 T578 I586 L596 P597 L607 L610	L573-L600 HydrophobicContact CD1-CD2 3.7Å; T578-L600 HydrophobicContact CG2-CB 4.35Å; I586-L600 HydrophobicContact CD1-CD1 4.08Å; L596-L600 HydrophobicContact CB-CD2 4.24Å; L596-L600 HydrophobicContact CD1-CD2 4.44Å; L596-L600 HydrophobicContact CD2-CD2 4.36Å; P597-L600 VanDerWaalsContact O-CB 3.24Å; P597-L600 WeakPolarHBondContact O-CB 3.41Å; P597-L600 PolarHBondContact O-N 3.26Å; L600-L607 HydrophobicContact CD1-CD2 4.23Å; L600-L610 HydrophobicContact CD2-CD2 4.35Å
601	L	88.4	Confident	89.7	Confident	5 Å²	5	43 Å²	43	3%	0.026	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-103.2	-0.3	-178.7	-55.1	-178.5	0	0	0	113.4	R599 L610 L620 P621 M624 I629	R599-L601 PolarHBondContact O-N 2.89Å; R599-L601 VanDerWaalsContact O-N 3.15Å; L601-L610 HydrophobicContact CD2-CD2 4.12Å; L601-L620 HydrophobicContact CD1-CB 4.3Å; L601-P621 HydrophobicContact CD1-CG 4.4Å; L601-M624 HydrophobicContact CB-CG 4.07Å; L601-M624 HydrophobicContact CB-SD 3.97Å; L601-M624 HydrophobicContact CD1-CE 3.56Å; L601-M624 HydrophobicContact CD1-CG 4.43Å; L601-M624 HydrophobicContact CD1-SD 3.62Å; L601-M624 HydrophobicContact CG-SD 4.43Å; L601-I629 HydrophobicContact CD2-CD1 3.57Å
602	T	83.9	Confident	89.7	Confident	28 Å²	28	42.8 Å²	42.8	17%	0.172	22%	0.216	C	C	.	.	S	Bend	trans	-107.4	127.4	179.8	58.6	0	0	0	0	110.9	R599 V604 Y623	R599-T602 VanDerWaalsContact CA-OG1 3.26Å; R599-T602 WeakPolarHBondContact CA-OG1 3.35Å; R599-T602 PolarHBondContact O-N 2.97Å; R599-T602 VanDerWaalsContact O-N 3.13Å; R599-T602 PolarHBondContact O-OG1 3.29Å; T602-V604 PolarHBondContact O-N 3.13Å; T602-Y623 VanDerWaalsContact CG2-O 3.25Å; T602-Y623 WeakPolarHBondContact CG2-O 3.12Å
603	N	67.4	Low	89.7	Confident	79 Å²	79	39.2 Å²	39.2	42%	0.422	20%	0.203	S	C	.	.	S	Bend	trans	56.4	4.5	168.4	-71.3	-52.6	0	0	0	118.3	N605 E625	N603-N605 PolarHBondContact O-N 2.96Å; N603-N605 PolarHBondContact O-ND2 2.72Å; N603-N605 VanDerWaalsContact O-ND2 3.09Å; N603-E625 PolarHBondContact N-O 3.07Å; N603-E625 PolarHBondContact ND2-OE2 2.63Å
604	V	62.5	Low	89.6	Confident	13 Å²	13	40.2 Å²	40.2	8%	0.079	21%	0.207	C	C	.	.			trans	-73.4	70.5	170.1	-166.3	0	0	0	0	109.8	I583 T602 S606 L607 A628	I583-V604 HydrophobicContact CG2-CG1 3.65Å; T602-V604 PolarHBondContact O-N 3.13Å; V604-S606 PolarHBondContact O-N 2.7Å; V604-L607 HydrophobicContact CB-CB 4.24Å; V604-L607 HydrophobicContact CG1-CB 3.71Å; V604-L607 PolarHBondContact O-N 2.99Å; V604-L607 VanDerWaalsContact O-N 3.09Å; V604-A628 WeakPolarHBondContact O-CB 3.47Å
605	N	72.6	Confident	89.6	Confident	84 Å²	84	36.3 Å²	36.3	45%	0.449	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-15.6	-164.5	-82.6	-64.2	0	0	0	116.6	N603 N626 R652	N603-N605 PolarHBondContact O-N 2.96Å; N603-N605 PolarHBondContact O-ND2 2.72Å; N603-N605 VanDerWaalsContact O-ND2 3.09Å; N605-N626 PolarHBondContact OD1-ND2 3.16Å; N605-R652 PolarHBondContact O-NH1 3.4Å
606	S	87.7	Confident	89.7	Confident	31 Å²	31	36 Å²	36	22%	0.217	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-19.4	-174.9	41.6	0	0	0	0	114.6	V581 I583 V604 N608	V581-S606 WeakPolarHBondContact O-CB 3.41Å; V581-S606 PolarHBondContact O-OG 3.09Å; I583-S606 CarbonylContact O-C 3.45Å; I583-S606 VanDerWaalsContact O-CB 3.22Å; I583-S606 WeakPolarHBondContact O-CB 3.34Å; I583-S606 VanDerWaalsContact O-O 3.06Å; I583-S606 PolarHBondContact O-OG 3.28Å; V604-S606 PolarHBondContact O-N 2.7Å; S606-N608 PolarHBondContact O-N 3.06Å; S606-N608 VanDerWaalsContact O-N 3.08Å
607	L	93	Very high	89.9	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.01	17%	0.173	C	C	.	.			trans	-72	102.7	-176.5	-179.3	58.2	0	0	0	109.9	I583 I586 L600 V604 A628 I629	I583-L607 HydrophobicContact CG1-CD1 4.22Å; I583-L607 HydrophobicContact CG2-CB 4.02Å; I583-L607 HydrophobicContact CG2-CD1 4.24Å; I583-L607 WeakPolarHBondContact O-CA 3.41Å; I583-L607 PolarHBondContact O-N 3Å; I583-L607 VanDerWaalsContact O-N 3.09Å; I586-L607 HydrophobicContact CB-CD1 4.47Å; I586-L607 HydrophobicContact CD1-CD1 4.14Å; I586-L607 HydrophobicContact CD1-CD2 4.23Å; I586-L607 HydrophobicContact CG1-CD1 4Å; L600-L607 HydrophobicContact CD1-CD2 4.23Å; V604-L607 HydrophobicContact CB-CB 4.24Å; V604-L607 HydrophobicContact CG1-CB 3.71Å; V604-L607 PolarHBondContact O-N 2.99Å; V604-L607 VanDerWaalsContact O-N 3.09Å; L607-A628 CarbonylContact O-C 3.54Å; L607-A628 VanDerWaalsContact O-C 3.31Å; L607-I629 HydrophobicContact CG-CG1 4.37Å; L607-I629 WeakPolarHBondContact O-CA 3.17Å; L607-I629 WeakPolarHBondContact O-CG1 3.47Å; L607-I629 PolarHBondContact O-N 3.11Å
608	N	94	Very high	90.1	Very high	48 Å²	48	41.8 Å²	41.8	26%	0.257	20%	0.197	S	C	.	.			trans	-111.3	-15.4	-175.4	82.2	-17.4	0	0	0	114.5	K584 S606 E630 T631	K584-N608 PolarHBondContact O-N 3.19Å; K584-N608 PolarHBondContact O-OD1 2.76Å; K584-N608 VanDerWaalsContact O-OD1 3.12Å; S606-N608 PolarHBondContact O-N 3.06Å; S606-N608 VanDerWaalsContact O-N 3.08Å; N608-E630 HydrophobicContact CB-CB 4.19Å; N608-E630 HydrophobicContact CB-CG 3.95Å; N608-E630 WeakPolarHBondContact CB-OE1 3.33Å; N608-E630 PolarHBondContact ND2-OE1 2.63Å; N608-E630 WeakPolarHBondContact O-CA 3.32Å; N608-E630 WeakPolarHBondContact O-CB 3.26Å; N608-E630 PolarHBondContact O-N 3.27Å; N608-T631 PolarHBondContact O-N 2.71Å
609	Y	95.8	Very high	90.4	Very high	50 Å²	50	38.9 Å²	38.9	20%	0.196	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	117.4	176.7	-169.5	-80.5	0	0	0	110.4	K584 R585 I586 L587 D611 T631	K584-Y609 PolarHBondContact O-N 3.39Å; R585-Y609 VanDerWaalsContact CA-O 3.3Å; R585-Y609 WeakPolarHBondContact CA-O 3.44Å; R585-Y609 HydrophobicContact CB-CD1 4.49Å; I586-Y609 PolarHBondContact N-O 3.12Å; L587-Y609 HydrophobicContact CD2-CD1 4.39Å; L587-Y609 HydrophobicContact CD2-CE1 3.69Å; L587-Y609 HydrophobicContact CG-CD1 4.25Å; L587-Y609 HydrophobicContact CG-CE1 3.98Å; Y609-D611 HydrophobicContact CE1-CB 3.89Å; Y609-T631 HydrophobicContact CD2-CG2 3.79Å; Y609-T631 HydrophobicContact CE2-CG2 3.64Å
610	L	96.2	Very high	90.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	114.6	177	-178.2	58.3	0	0	0	109.5	I586 L600 L601 L612 I629 T631 L632 L633	I586-L610 HydrophobicContact CB-CD1 3.71Å; I586-L610 HydrophobicContact CD1-CD1 4.49Å; I586-L610 HydrophobicContact CG2-CD1 3.91Å; I586-L610 WeakPolarHBondContact O-CA 3.35Å; L600-L610 HydrophobicContact CD2-CD2 4.35Å; L601-L610 HydrophobicContact CD2-CD2 4.12Å; L610-L612 HydrophobicContact CD1-CD1 3.74Å; L610-L612 HydrophobicContact CD1-CD2 4.43Å; L610-L612 HydrophobicContact CD1-CG 3.83Å; L610-L612 HydrophobicContact CD2-CD1 3.76Å; L610-L612 HydrophobicContact CG-CD1 3.69Å; L610-L612 HydrophobicContact CG-CG 4.03Å; L610-I629 HydrophobicContact CB-CD1 4.09Å; L610-I629 HydrophobicContact CD2-CD1 3.81Å; L610-T631 PolarHBondContact N-O 2.74Å; L610-L632 HydrophobicContact CB-CD1 3.87Å; L610-L632 HydrophobicContact CD2-CD1 3.76Å; L610-L632 HydrophobicContact CG-CD1 3.89Å; L610-L633 PolarHBondContact O-N 2.87Å
611	D	97.6	Very high	90.8	Very high	16 Å²	16	30.8 Å²	30.8	9%	0.086	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	113.8	173	-176.3	12.1	0	0	0	110.8	I586 L587 C588 Y609 S613 L633	I586-D611 PolarHBondContact O-N 2.83Å; L587-D611 HydrophobicContact CD2-CB 4.47Å; L587-D611 HydrophobicContact CG-CB 4.4Å; C588-D611 PolarHBondContact N-O 2.83Å; Y609-D611 HydrophobicContact CE1-CB 3.89Å; D611-S613 VanDerWaalsContact OD1-CB 3.31Å; D611-S613 WeakPolarHBondContact OD1-CB 3.3Å; D611-S613 PolarHBondContact OD1-N 2.78Å; D611-S613 PolarHBondContact OD1-OG 2.69Å; D611-L633 HydrophobicContact CB-CB 4.26Å; D611-L633 HydrophobicContact CB-CD1 4.23Å
612	L	98.1	Very high	90.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.			trans	-130.7	25.2	-179.3	-68.3	167	0	0	0	110.1	L573 C588 I593 L596 L610 N615 I617 L633 L634 N637	L573-L612 HydrophobicContact CD1-CD2 4.2Å; L573-L612 HydrophobicContact CD2-CD2 4.47Å; C588-L612 HydrophobicContact CB-CD2 4.02Å; I593-L612 HydrophobicContact CD1-CD2 4.15Å; L596-L612 HydrophobicContact CD1-CD1 3.67Å; L596-L612 HydrophobicContact CD2-CD1 3.6Å; L596-L612 HydrophobicContact CD2-CD2 4.14Å; L596-L612 HydrophobicContact CG-CD1 4.29Å; L610-L612 HydrophobicContact CD1-CD1 3.74Å; L610-L612 HydrophobicContact CD1-CD2 4.43Å; L610-L612 HydrophobicContact CD1-CG 3.83Å; L610-L612 HydrophobicContact CD2-CD1 3.76Å; L610-L612 HydrophobicContact CG-CD1 3.69Å; L610-L612 HydrophobicContact CG-CG 4.03Å; L612-N615 PolarHBondContact O-ND2 2.73Å; L612-I617 HydrophobicContact CB-CD1 3.75Å; L612-I617 HydrophobicContact CD1-CD1 4.05Å; L612-I617 HydrophobicContact CD2-CD1 4.48Å; L612-I617 HydrophobicContact CG-CD1 4.33Å; L612-L633 CarbonylContact C-O 3.56Å; L612-L633 PolarHBondContact N-O 2.72Å; L612-L634 HydrophobicContact CB-CD2 3.89Å; L612-L634 HydrophobicContact CD1-CD2 4.15Å; L612-N637 PolarHBondContact O-ND2 3.32Å
613	S	97	Very high	90.8	Very high	4 Å²	4	41.9 Å²	41.9	3%	0.028	21%	0.21	C	C	.	.			trans	-64.7	158.1	177.1	55.7	0	0	0	0	112.6	S589 H590 D611 N615 L633 H635	S589-S613 CarbonylContact C-O 3.47Å; S589-S613 WeakPolarHBondContact CA-O 3.29Å; S589-S613 WeakPolarHBondContact CB-O 3.32Å; S589-S613 WeakPolarHBondContact CB-OG 3.34Å; H590-S613 PolarHBondContact N-O 3.49Å; D611-S613 VanDerWaalsContact OD1-CB 3.31Å; D611-S613 WeakPolarHBondContact OD1-CB 3.3Å; D611-S613 PolarHBondContact OD1-N 2.78Å; D611-S613 PolarHBondContact OD1-OG 2.69Å; S613-N615 PolarHBondContact O-N 2.96Å; S613-N615 PolarHBondContact O-ND2 2.97Å; S613-L633 PolarHBondContact N-O 3.25Å; S613-H635 CarbonylContact C-O 3.49Å; S613-H635 WeakPolarHBondContact CA-O 3.3Å; S613-H635 WeakPolarHBondContact CB-CE1 3.48Å; S613-H635 VanDerWaalsContact CB-NE2 3.33Å; S613-H635 WeakPolarHBondContact CB-NE2 3.46Å; S613-H635 WeakPolarHBondContact CB-O 3.49Å
614	H	96.5	Very high	91.6	Very high	20 Å²	20	38.3 Å²	38.3	9%	0.093	19%	0.191	C	C	.	.	S	Bend	trans	50.4	58.5	-179.5	-61	-93.5	0	0	0	112.5	H590 N591 H635 H636 E1054 Y1079	H590-H614 WeakPolarHBondContact CA-O 3.45Å; H590-H614 AromaticContact CD2-CG 3.98Å; H590-H614 AromaticContact CE1-CD2 3.53Å; H590-H614 AromaticContact CE1-CG 3.69Å; H590-H614 PolarHBondContact N-O 3.41Å; H590-H614 VanDerWaalsContact N-O 3.11Å; H590-H614 AromaticContact NE2-CD2 3.8Å; H590-H614 AromaticContact NE2-CG 3.58Å; H590-H614 AromaticContact NE2-ND1 3.9Å; N591-H614 PolarHBondContact N-O 3.5Å; H614-H635 AromaticContact CD2-CD2 3.98Å; H614-H635 AromaticContact CD2-NE2 3.98Å; H614-H635 PolarHBondContact N-O 2.79Å; H614-H635 AromaticContact NE2-CD2 3.72Å; H614-H635 AromaticContact NE2-NE2 3.85Å; H614-H636 VanDerWaalsContact CA-O 3.3Å; H614-H636 WeakPolarHBondContact CA-O 3.25Å; H614-H636 AromaticContact CE1-CG 3.86Å; H614-H636 AromaticContact CE1-ND1 3.85Å; H614-H636 PolarHBondContact N-O 2.98Å; H614-H636 AromaticContact ND1-CD2 3.89Å; H614-H636 AromaticContact ND1-CG 3.44Å; H614-H636 AromaticContact ND1-ND1 3.69Å; H614-E1054 IonicContact CE1-OE2 3.24Å; H614-Y1079 AromaticContact CE1-CD2 3.81Å; H614-Y1079 AromaticContact CE1-CE2 3.43Å; H614-Y1079 VanDerWaalsContact CE1-CE2 3.43Å; H614-Y1079 WeakPolarHBondContact CE1-CE2 3.26Å; H614-Y1079 AromaticContact NE2-CD2 3.59Å; H614-Y1079 AromaticContact NE2-CE2 3.66Å
615	N	97.9	Very high	92.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-133.5	-164.8	177.5	-88.2	-86.7	0	0	0	109.4	C588 N591 I593 L612 S613 I617 H636 N637	C588-N615 PolarHBondContact O-ND2 2.81Å; N591-N615 WeakPolarHBondContact CA-OD1 3.19Å; N591-N615 WeakPolarHBondContact CB-OD1 3.42Å; N591-N615 PolarHBondContact O-OD1 3.11Å; N591-N615 VanDerWaalsContact O-OD1 3.13Å; I593-N615 HydrophobicContact CB-CB 4.36Å; I593-N615 WeakPolarHBondContact CB-OD1 3.41Å; I593-N615 VanDerWaalsContact CG1-OD1 3.31Å; I593-N615 WeakPolarHBondContact CG1-OD1 3.38Å; I593-N615 PolarHBondContact N-OD1 3.24Å; L612-N615 PolarHBondContact O-ND2 2.73Å; S613-N615 PolarHBondContact O-N 2.96Å; S613-N615 PolarHBondContact O-ND2 2.97Å; N615-I617 HydrophobicContact CB-CD1 4.38Å; N615-I617 HydrophobicContact CB-CG1 4.22Å; N615-H636 PolarHBondContact N-O 2.88Å; N615-H636 VanDerWaalsContact N-O 3.15Å; N615-N637 WeakPolarHBondContact CA-OD1 3.33Å; N615-N637 VanDerWaalsContact CB-OD1 3.23Å; N615-N637 WeakPolarHBondContact CB-OD1 3.44Å; N615-N637 PolarHBondContact O-OD1 3.31Å
616	H	97.7	Very high	93	Very high	55 Å²	55	42.4 Å²	42.4	26%	0.255	21%	0.209	S	C	.	.			trans	-118.3	20.1	-177.3	-66.5	-7.4	0	0	0	112.9	Y592 I593 E594 R618 N637	Y592-H616 AromaticContact CD1-NE2 3.75Å; I593-H616 CarbonylContact O-C 2.94Å; I593-H616 WeakPolarHBondContact O-CA 3.44Å; I593-H616 PolarHBondContact O-N 2.94Å; E594-H616 HydrophobicContact CG-CB 4.18Å; H616-R618 WeakPolarHBondContact O-CG 3.46Å; H616-R618 PolarHBondContact O-N 2.95Å; H616-N637 PolarHBondContact N-OD1 2.83Å
617	I	98.2	Very high	92.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.2	C	C	.	.			trans	-61.1	122.8	-170.9	-60.4	171.4	0	0	0	110.3	I593 E594 L596 L612 N615 A619 L620 L634 N637 H638 I639	I593-I617 HydrophobicContact CG2-CG1 4.21Å; I593-I617 WeakPolarHBondContact O-CG1 3.34Å; I593-I617 PolarHBondContact O-N 2.99Å; I593-I617 VanDerWaalsContact O-N 3.08Å; E594-I617 WeakPolarHBondContact O-CA 3.43Å; L596-I617 HydrophobicContact CD1-CD1 4.3Å; L596-I617 HydrophobicContact CD2-CD1 3.93Å; L596-I617 HydrophobicContact CG-CD1 4.22Å; L612-I617 HydrophobicContact CB-CD1 3.75Å; L612-I617 HydrophobicContact CD1-CD1 4.05Å; L612-I617 HydrophobicContact CD2-CD1 4.48Å; L612-I617 HydrophobicContact CG-CD1 4.33Å; N615-I617 HydrophobicContact CB-CD1 4.38Å; N615-I617 HydrophobicContact CB-CG1 4.22Å; I617-A619 WeakPolarHBondContact CG2-O 3.49Å; I617-L620 HydrophobicContact CG2-CD2 4.47Å; I617-L634 HydrophobicContact CD1-CD2 4Å; I617-N637 HydrophobicContact CB-CB 4.36Å; I617-N637 VanDerWaalsContact CB-OD1 3.3Å; I617-N637 WeakPolarHBondContact CB-OD1 3.23Å; I617-N637 WeakPolarHBondContact CG1-OD1 3.35Å; I617-N637 PolarHBondContact N-OD1 3.17Å; I617-H638 CarbonylContact O-C 3.59Å; I617-H638 WeakPolarHBondContact O-CA 3.26Å; I617-H638 PolarHBondContact O-N 2.66Å; I617-I639 HydrophobicContact CG2-CD1 4.3Å; I617-I639 HydrophobicContact CG2-CG1 4.2Å; I617-I639 WeakPolarHBondContact O-CG1 3.37Å; I617-I639 PolarHBondContact O-N 2.81Å
618	R	96.9	Very high	92.8	Very high	141 Å²	141	41.3 Å²	41.3	53%	0.532	20%	0.201	S	C	.	.			trans	-95.2	-26.6	-174.3	-53.8	-178	-175	169.8	0.4	113.6	E594 H616 I639	E594-R618 PolarHBondContact O-N 2.83Å; E594-R618 IonicContact OE1-CZ 3.56Å; E594-R618 VanDerWaalsContact OE1-CZ 3.3Å; E594-R618 IonicContact OE1-NE 3.49Å; E594-R618 PolarHBondContact OE1-NE 3.06Å; E594-R618 IonicContact OE1-NH2 2.67Å; E594-R618 PolarHBondContact OE1-NH2 3.23Å; E594-R618 IonicContact OE2-CZ 2.68Å; E594-R618 VanDerWaalsContact OE2-CZ 3.22Å; E594-R618 IonicContact OE2-NE 3.94Å; E594-R618 IonicContact OE2-NH1 2.71Å; E594-R618 IonicContact OE2-NH2 2.68Å; E594-R618 PolarHBondContact OE2-NH2 2.67Å; H616-R618 WeakPolarHBondContact O-CG 3.46Å; H616-R618 PolarHBondContact O-N 2.95Å; R618-I639 WeakPolarHBondContact O-CA 3.28Å
619	A	96.2	Very high	92.8	Very high	55 Å²	55	39.2 Å²	39.2	46%	0.455	19%	0.19	S	C	.	.			trans	-156.9	165.8	178.2	0	0	0	0	0	110.3	I617	I617-A619 WeakPolarHBondContact CG2-O 3.49Å
620	L	95.6	Very high	92.8	Very high	9 Å²	9	40.3 Å²	40.3	5%	0.047	20%	0.197	C	C	.	.			trans	-100.4	155.4	167	-59.5	179.8	0	0	0	109.9	L596 L601 I617 T622 M624 L634 I639 L642 P643	L596-L620 HydrophobicContact CD1-CD2 3.86Å; L601-L620 HydrophobicContact CD1-CB 4.3Å; I617-L620 HydrophobicContact CG2-CD2 4.47Å; L620-T622 PolarHBondContact O-N 3.37Å; L620-M624 HydrophobicContact CB-CE 3.95Å; L620-M624 HydrophobicContact CD1-CE 4.28Å; L620-L634 HydrophobicContact CD1-CD1 3.88Å; L620-L634 HydrophobicContact CD2-CD1 3.77Å; L620-L634 HydrophobicContact CD2-CD2 4.09Å; L620-L634 HydrophobicContact CG-CD1 4.36Å; L620-I639 HydrophobicContact CD2-CD1 4.25Å; L620-I639 HydrophobicContact CG-CD1 4.42Å; L620-L642 HydrophobicContact CD1-CD2 3.96Å; L620-P643 HydrophobicContact CB-CG 4.2Å
621	P	93.1	Very high	92.8	Very high	7 Å²	7	41 Å²	41	5%	0.045	20%	0.201	C	C	.	.			trans	-48.4	136	172.4	-31.2	37	0	0	0	113.1	L596 D598 L601 M624 P643	L596-P621 HydrophobicContact CB-CG 4.27Å; D598-P621 VanDerWaalsContact O-CB 3.24Å; D598-P621 WeakPolarHBondContact O-CB 3.43Å; L601-P621 HydrophobicContact CD1-CG 4.4Å; P621-M624 VanDerWaalsContact O-CE 3.27Å; P621-M624 WeakPolarHBondContact O-CE 3.14Å; P621-P643 WeakPolarHBondContact O-CG 3.27Å
622	T	88.4	Confident	92.8	Very high	91 Å²	91	40.4 Å²	40.4	56%	0.558	20%	0.198	S	C	*	.	S	Bend	trans	-73.1	-39.8	-170.1	46.1	0	0	0	0	113.8	L620	L620-T622 PolarHBondContact O-N 3.37Å
623	Y	84	Confident	92.8	Very high	175 Å²	175	40.8 Å²	40.8	69%	0.686	20%	0.2	S	C	*	.			trans	-84.6	125.8	179	-63.1	-77.6	0	0	0	110.3	T602	T602-Y623 VanDerWaalsContact CG2-O 3.25Å; T602-Y623 WeakPolarHBondContact CG2-O 3.12Å
624	M	83.9	Confident	92.8	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.02	20%	0.199	C	C	.	.			trans	-139.9	102.4	178.3	-67.4	-158.3	-142.3	0	0	113.1	L601 L620 P621 P643 F646 S649	L601-M624 HydrophobicContact CB-CG 4.07Å; L601-M624 HydrophobicContact CB-SD 3.97Å; L601-M624 HydrophobicContact CD1-CE 3.56Å; L601-M624 HydrophobicContact CD1-CG 4.43Å; L601-M624 HydrophobicContact CD1-SD 3.62Å; L601-M624 HydrophobicContact CG-SD 4.43Å; L620-M624 HydrophobicContact CB-CE 3.95Å; L620-M624 HydrophobicContact CD1-CE 4.28Å; P621-M624 VanDerWaalsContact O-CE 3.27Å; P621-M624 WeakPolarHBondContact O-CE 3.14Å; M624-P643 HydrophobicContact CE-CB 4.06Å; M624-P643 HydrophobicContact CE-CG 3.67Å; M624-F646 HydrophobicContact CE-CB 3.82Å; M624-F646 HydrophobicContact CE-CD2 3.82Å; M624-F646 HydrophobicContact CE-CG 4.04Å; M624-F646 HydrophobicContact SD-CB 4.08Å; M624-F646 HydrophobicContact SD-CD2 3.53Å; M624-F646 VanDerWaalsContact SD-CD2 3.53Å; M624-F646 HydrophobicContact SD-CE2 4.46Å; M624-F646 HydrophobicContact SD-CG 4.21Å; M624-S649 WeakPolarHBondContact O-CB 3.38Å; M624-S649 PolarHBondContact O-OG 2.62Å
625	E	82.9	Confident	92.9	Very high	121 Å²	121	40.1 Å²	40.1	57%	0.565	20%	0.196	S	C	*	.	S	Bend	trans	-112.1	130.2	175.3	-172.2	-175.6	-144.7	0	0	111.1	N603 C627	N603-E625 PolarHBondContact N-O 3.07Å; N603-E625 PolarHBondContact ND2-OE2 2.63Å; E625-C627 VanDerWaalsContact C-N 3.32Å; E625-C627 PolarHBondContact O-N 2.96Å
626	N	82.1	Confident	92.8	Very high	62 Å²	62	42.3 Å²	42.3	33%	0.332	21%	0.207	S	C	.	.	S	Bend	trans	51.6	45.4	172.3	-177.2	33.9	0	0	0	113.6	N605 A628	N605-N626 PolarHBondContact OD1-ND2 3.16Å; N626-A628 PolarHBondContact O-N 3.19Å; N626-A628 VanDerWaalsContact O-N 3.1Å
627	C	86.8	Confident	92.8	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.034	20%	0.195	C	C	.	.			trans	-59.8	114.1	-179.4	174.3	0	0	0	0	111.2	E625 I629 A650	E625-C627 VanDerWaalsContact C-N 3.32Å; E625-C627 PolarHBondContact O-N 2.96Å; C627-I629 VanDerWaalsContact C-N 3.29Å; C627-I629 PolarHBondContact O-N 2.83Å; C627-A650 HydrophobicContact CB-CB 4.48Å
628	A	89.6	Confident	92.8	Very high	5 Å²	5	42.8 Å²	42.8	4%	0.041	21%	0.209	C	C	.	.			trans	-79.9	-4.9	-172	0	0	0	0	0	114.9	V604 L607 N626 E630	V604-A628 WeakPolarHBondContact O-CB 3.47Å; L607-A628 CarbonylContact O-C 3.54Å; L607-A628 VanDerWaalsContact O-C 3.31Å; N626-A628 PolarHBondContact O-N 3.19Å; N626-A628 VanDerWaalsContact O-N 3.1Å; A628-E630 PolarHBondContact O-N 3.15Å
629	I	93.6	Very high	92.9	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.021	18%	0.184	C	C	.	.			trans	-70.3	127.6	-166.6	-58.9	177.7	0	0	0	111.8	L601 L607 L610 C627 T631 L632 R652 L653	L601-I629 HydrophobicContact CD2-CD1 3.57Å; L607-I629 HydrophobicContact CG-CG1 4.37Å; L607-I629 WeakPolarHBondContact O-CA 3.17Å; L607-I629 WeakPolarHBondContact O-CG1 3.47Å; L607-I629 PolarHBondContact O-N 3.11Å; L610-I629 HydrophobicContact CB-CD1 4.09Å; L610-I629 HydrophobicContact CD2-CD1 3.81Å; C627-I629 VanDerWaalsContact C-N 3.29Å; C627-I629 PolarHBondContact O-N 2.83Å; I629-T631 VanDerWaalsContact CG2-C 3.46Å; I629-T631 WeakPolarHBondContact CG2-O 3.31Å; I629-L632 HydrophobicContact CD1-CD1 4.37Å; I629-L632 HydrophobicContact CG2-CB 3.98Å; I629-R652 CarbonylContact O-C 3.59Å; I629-L653 HydrophobicContact CG2-CD1 4.2Å; I629-L653 VanDerWaalsContact O-CA 3.25Å; I629-L653 WeakPolarHBondContact O-CA 3.12Å; I629-L653 PolarHBondContact O-N 3.13Å
630	E	95.7	Very high	92.9	Very high	72 Å²	72	39.3 Å²	39.3	34%	0.336	19%	0.189	S	C	.	.	S	Bend	trans	-93.3	-31.4	173.9	-69.5	172.8	-129.3	0	0	112.1	N608 A628 R652 Y654 I655	N608-E630 HydrophobicContact CB-CB 4.19Å; N608-E630 HydrophobicContact CB-CG 3.95Å; N608-E630 WeakPolarHBondContact CB-OE1 3.33Å; N608-E630 PolarHBondContact ND2-OE1 2.63Å; N608-E630 WeakPolarHBondContact O-CA 3.32Å; N608-E630 WeakPolarHBondContact O-CB 3.26Å; N608-E630 PolarHBondContact O-N 3.27Å; A628-E630 PolarHBondContact O-N 3.15Å; E630-R652 HydrophobicContact CG-CB 4.45Å; E630-Y654 HydrophobicContact CB-CD2 4.11Å; E630-Y654 HydrophobicContact CG-CD2 4.16Å; E630-Y654 HydrophobicContact CG-CE2 4.26Å; E630-Y654 PolarHBondContact O-N 3Å; E630-I655 PolarHBondContact O-N 2.95Å; E630-I655 VanDerWaalsContact O-N 3.11Å
631	T	96.8	Very high	93	Very high	16 Å²	16	43.6 Å²	43.6	10%	0.098	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	119.5	177.8	-63.2	0	0	0	0	110.8	N608 Y609 L610 I629 L633 I655	N608-T631 PolarHBondContact O-N 2.71Å; Y609-T631 HydrophobicContact CD2-CG2 3.79Å; Y609-T631 HydrophobicContact CE2-CG2 3.64Å; L610-T631 PolarHBondContact N-O 2.74Å; I629-T631 VanDerWaalsContact CG2-C 3.46Å; I629-T631 WeakPolarHBondContact CG2-O 3.31Å; T631-L633 HydrophobicContact CG2-CD2 4.13Å; T631-L633 HydrophobicContact CG2-CG 4.13Å; T631-I655 WeakPolarHBondContact CA-O 3.48Å; T631-I655 HydrophobicContact CG2-CB 4.03Å; T631-I655 HydrophobicContact CG2-CG2 4.02Å
632	L	97.2	Very high	93.1	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.2	177.4	-175.5	58.5	0	0	0	110.5	L610 I629 L634 F646 L653 I655 L656 N657	L610-L632 HydrophobicContact CB-CD1 3.87Å; L610-L632 HydrophobicContact CD2-CD1 3.76Å; L610-L632 HydrophobicContact CG-CD1 3.89Å; I629-L632 HydrophobicContact CD1-CD1 4.37Å; I629-L632 HydrophobicContact CG2-CB 3.98Å; L632-L634 HydrophobicContact CD1-CD1 3.96Å; L632-L634 HydrophobicContact CD1-CG 4.01Å; L632-L634 HydrophobicContact CD2-CD1 3.63Å; L632-L634 HydrophobicContact CD2-CG 4.49Å; L632-L634 HydrophobicContact CG-CD1 3.69Å; L632-L634 HydrophobicContact CG-CG 4.02Å; L632-F646 HydrophobicContact CD2-CE2 3.97Å; L632-F646 HydrophobicContact CD2-CZ 3.72Å; L632-L653 HydrophobicContact CB-CD1 3.93Å; L632-I655 PolarHBondContact N-O 3.31Å; L632-L656 HydrophobicContact CB-CD1 4.1Å; L632-L656 HydrophobicContact CD2-CD1 3.99Å; L632-L656 HydrophobicContact CG-CD1 4.22Å; L632-N657 PolarHBondContact O-N 3.38Å
633	L	98	Very high	93.5	Very high	8 Å²	8	39.9 Å²	39.9	4%	0.042	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	111.8	176.8	-51.2	179.9	0	0	0	109.2	L610 D611 L612 S613 T631 I655 N657	L610-L633 PolarHBondContact O-N 2.87Å; D611-L633 HydrophobicContact CB-CB 4.26Å; D611-L633 HydrophobicContact CB-CD1 4.23Å; L612-L633 CarbonylContact C-O 3.56Å; L612-L633 PolarHBondContact N-O 2.72Å; S613-L633 PolarHBondContact N-O 3.25Å; T631-L633 HydrophobicContact CG2-CD2 4.13Å; T631-L633 HydrophobicContact CG2-CG 4.13Å; L633-I655 HydrophobicContact CD2-CG2 4.49Å; L633-N657 HydrophobicContact CD2-CB 3.71Å
634	L	98.2	Very high	93.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.181	C	C	.	.			trans	-128.5	19	-178.3	-75	165.4	0	0	0	111.2	L612 I617 L620 L632 N637 I639 N657 L658 N661	L612-L634 HydrophobicContact CB-CD2 3.89Å; L612-L634 HydrophobicContact CD1-CD2 4.15Å; I617-L634 HydrophobicContact CD1-CD2 4Å; L620-L634 HydrophobicContact CD1-CD1 3.88Å; L620-L634 HydrophobicContact CD2-CD1 3.77Å; L620-L634 HydrophobicContact CD2-CD2 4.09Å; L620-L634 HydrophobicContact CG-CD1 4.36Å; L632-L634 HydrophobicContact CD1-CD1 3.96Å; L632-L634 HydrophobicContact CD1-CG 4.01Å; L632-L634 HydrophobicContact CD2-CD1 3.63Å; L632-L634 HydrophobicContact CD2-CG 4.49Å; L632-L634 HydrophobicContact CG-CD1 3.69Å; L632-L634 HydrophobicContact CG-CG 4.02Å; L634-N637 PolarHBondContact O-ND2 2.97Å; L634-I639 HydrophobicContact CB-CD1 4.2Å; L634-I639 HydrophobicContact CD1-CD1 4.14Å; L634-I639 HydrophobicContact CD2-CD1 4.25Å; L634-I639 HydrophobicContact CG-CD1 4.45Å; L634-N657 CarbonylContact C-O 3.49Å; L634-N657 WeakPolarHBondContact CA-O 3.49Å; L634-N657 PolarHBondContact N-O 2.96Å; L634-L658 HydrophobicContact CB-CD2 3.84Å; L634-L658 HydrophobicContact CD1-CD2 3.86Å; L634-N661 PolarHBondContact O-ND2 2.88Å
635	H	97.6	Very high	94.3	Very high	10 Å²	10	42.2 Å²	42.2	5%	0.046	20%	0.202	C	C	.	.			trans	-69.5	151.5	-177.3	59.4	-90.1	0	0	0	112.3	S613 H614 N637 N657 S659 Y1079	S613-H635 CarbonylContact C-O 3.49Å; S613-H635 WeakPolarHBondContact CA-O 3.3Å; S613-H635 WeakPolarHBondContact CB-CE1 3.48Å; S613-H635 VanDerWaalsContact CB-NE2 3.33Å; S613-H635 WeakPolarHBondContact CB-NE2 3.46Å; S613-H635 WeakPolarHBondContact CB-O 3.49Å; H614-H635 AromaticContact CD2-CD2 3.98Å; H614-H635 AromaticContact CD2-NE2 3.98Å; H614-H635 PolarHBondContact N-O 2.79Å; H614-H635 AromaticContact NE2-CD2 3.72Å; H614-H635 AromaticContact NE2-NE2 3.85Å; H635-N637 PolarHBondContact O-ND2 2.84Å; H635-N657 PolarHBondContact N-O 3.33Å; H635-N657 PolarHBondContact ND1-ND2 2.82Å; H635-S659 CarbonylContact C-O 3.31Å; H635-S659 WeakPolarHBondContact CA-O 3.41Å; H635-S659 VanDerWaalsContact CB-O 3.23Å; H635-S659 WeakPolarHBondContact CB-O 3.39Å; H635-Y1079 HydrophobicContact CB-CD1 4.04Å; H635-Y1079 HydrophobicContact CB-CE1 4.2Å; H635-Y1079 AromaticContact CD2-CD1 3.31Å; H635-Y1079 WeakPolarHBondContact CD2-CD1 3.21Å; H635-Y1079 AromaticContact CD2-CE1 3.87Å; H635-Y1079 AromaticContact CD2-CG 3.5Å; H635-Y1079 AromaticContact CG-CD1 3.87Å; H635-Y1079 AromaticContact NE2-CG 3.9Å
636	H	96.5	Very high	94.8	Very high	47 Å²	47	36.5 Å²	36.5	22%	0.218	18%	0.175	C	C	.	.	S	Bend	trans	56.2	67.7	-172.5	-159.7	114.4	0	0	0	111.8	H614 N615 S659 H660 E1054 Y1079	H614-H636 VanDerWaalsContact CA-O 3.3Å; H614-H636 WeakPolarHBondContact CA-O 3.25Å; H614-H636 AromaticContact CE1-CG 3.86Å; H614-H636 AromaticContact CE1-ND1 3.85Å; H614-H636 PolarHBondContact N-O 2.98Å; H614-H636 AromaticContact ND1-CD2 3.89Å; H614-H636 AromaticContact ND1-CG 3.44Å; H614-H636 AromaticContact ND1-ND1 3.69Å; N615-H636 PolarHBondContact N-O 2.88Å; N615-H636 VanDerWaalsContact N-O 3.15Å; H636-S659 PolarHBondContact N-O 3.28Å; H636-H660 WeakPolarHBondContact CA-O 3.3Å; H636-H660 HydrophobicContact CB-CB 4.33Å; H636-H660 PolarHBondContact N-O 3.02Å; H636-E1054 VanDerWaalsContact CE1-CD 3.44Å; H636-E1054 IonicContact CE1-OE1 2.81Å; H636-E1054 PolarHBondContact CE1-OE1 2.89Å; H636-E1054 IonicContact CE1-OE2 2.63Å; H636-E1054 IonicContact ND1-OE1 2.73Å; H636-E1054 PolarHBondContact ND1-OE1 2.74Å; H636-E1054 IonicContact ND1-OE2 3.88Å; H636-Y1079 PolarHBondContact ND1-OH 2.82Å
637	N	97.9	Very high	95.4	Very high	2 Å²	2	34 Å²	34	1%	0.011	16%	0.162	C	C	.	.	S	Bend	trans	-140.6	-165.6	175.8	-86.1	-76	0	0	0	110	L612 N615 H616 I617 L634 H635 I639 H660 N661	L612-N637 PolarHBondContact O-ND2 3.32Å; N615-N637 WeakPolarHBondContact CA-OD1 3.33Å; N615-N637 VanDerWaalsContact CB-OD1 3.23Å; N615-N637 WeakPolarHBondContact CB-OD1 3.44Å; N615-N637 PolarHBondContact O-OD1 3.31Å; H616-N637 PolarHBondContact N-OD1 2.83Å; I617-N637 HydrophobicContact CB-CB 4.36Å; I617-N637 VanDerWaalsContact CB-OD1 3.3Å; I617-N637 WeakPolarHBondContact CB-OD1 3.23Å; I617-N637 WeakPolarHBondContact CG1-OD1 3.35Å; I617-N637 PolarHBondContact N-OD1 3.17Å; L634-N637 PolarHBondContact O-ND2 2.97Å; H635-N637 PolarHBondContact O-ND2 2.84Å; N637-I639 HydrophobicContact CB-CG1 4.32Å; N637-H660 PolarHBondContact N-O 3.32Å; N637-N661 VanDerWaalsContact CB-OD1 3.22Å; N637-N661 WeakPolarHBondContact CB-OD1 3.39Å
638	H	97.7	Very high	95.7	Very high	63 Å²	63	35.6 Å²	35.6	29%	0.292	17%	0.173	S	C	.	.			trans	-120.4	19.9	-175.2	-60.8	-25.5	0	0	0	113.7	I617 Q640 N661 R662	I617-H638 CarbonylContact O-C 3.59Å; I617-H638 WeakPolarHBondContact O-CA 3.26Å; I617-H638 PolarHBondContact O-N 2.66Å; H638-Q640 PolarHBondContact O-N 3.43Å; H638-N661 PolarHBondContact N-OD1 3.12Å; H638-R662 VanDerWaalsContact CG-NH2 3.33Å; H638-R662 PolarHBondContact ND1-NH2 3.06Å
639	I	98.3	Very high	95.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.179	C	C	.	.			trans	-67.6	124.3	-172.7	-53.8	173	0	0	0	110.7	I617 R618 L620 L634 N637 K641 L642 L658 N661 R662 L663	I617-I639 HydrophobicContact CG2-CD1 4.3Å; I617-I639 HydrophobicContact CG2-CG1 4.2Å; I617-I639 WeakPolarHBondContact O-CG1 3.37Å; I617-I639 PolarHBondContact O-N 2.81Å; R618-I639 WeakPolarHBondContact O-CA 3.28Å; L620-I639 HydrophobicContact CD2-CD1 4.25Å; L620-I639 HydrophobicContact CG-CD1 4.42Å; L634-I639 HydrophobicContact CB-CD1 4.2Å; L634-I639 HydrophobicContact CD1-CD1 4.14Å; L634-I639 HydrophobicContact CD2-CD1 4.25Å; L634-I639 HydrophobicContact CG-CD1 4.45Å; N637-I639 HydrophobicContact CB-CG1 4.32Å; I639-K641 WeakPolarHBondContact CG2-O 3.32Å; I639-L642 HydrophobicContact CG2-CD2 4.24Å; I639-L658 HydrophobicContact CD1-CD2 4.19Å; I639-N661 HydrophobicContact CB-CB 4.41Å; I639-N661 VanDerWaalsContact CB-OD1 3.32Å; I639-N661 WeakPolarHBondContact CB-OD1 3.44Å; I639-N661 WeakPolarHBondContact CG1-OD1 3.2Å; I639-N661 PolarHBondContact N-OD1 3.03Å; I639-R662 CarbonylContact O-C 3.6Å; I639-R662 WeakPolarHBondContact O-CA 3.45Å; I639-R662 WeakPolarHBondContact O-CB 3.45Å; I639-R662 PolarHBondContact O-N 2.98Å; I639-L663 HydrophobicContact CG2-CD2 3.96Å
640	Q	97	Very high	95.7	Very high	123 Å²	123	36.8 Å²	36.8	58%	0.575	18%	0.182	S	C	*	.			trans	-100	-34.8	-176.2	-59.5	179.8	42.6	0	0	113.4	H638 R662	H638-Q640 PolarHBondContact O-N 3.43Å; Q640-R662 HydrophobicContact CG-CB 4.04Å
641	K	97.1	Very high	95.5	Very high	99 Å²	99	36.8 Å²	36.8	43%	0.43	18%	0.182	S	C	.	.			trans	-143.3	146.4	176	175.3	174.4	177.1	-174.1	0	108.8	I639 E644	I639-K641 WeakPolarHBondContact CG2-O 3.32Å; K641-E644 IonicContact NZ-OE1 2.71Å; K641-E644 PolarHBondContact NZ-OE1 2.82Å
642	L	96.9	Very high	95.3	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	19%	0.194	C	C	.	.			trans	-92.1	144.5	168.5	-59	165.8	0	0	0	109.3	L620 I639 F646 L658 L663 L666 P667	L620-L642 HydrophobicContact CD1-CD2 3.96Å; I639-L642 HydrophobicContact CG2-CD2 4.24Å; L642-F646 HydrophobicContact CB-CD1 4.09Å; L642-F646 HydrophobicContact CD1-CD1 3.95Å; L642-F646 HydrophobicContact CD1-CE1 4.12Å; L642-F646 HydrophobicContact CD2-CD1 4.12Å; L642-F646 HydrophobicContact CD2-CE1 4.22Å; L642-F646 HydrophobicContact CG-CD1 4.27Å; L642-L658 HydrophobicContact CD1-CD1 3.78Å; L642-L658 HydrophobicContact CD2-CD1 4.1Å; L642-L658 HydrophobicContact CD2-CD2 4.01Å; L642-L663 HydrophobicContact CD1-CD1 4.22Å; L642-L663 HydrophobicContact CD2-CD2 4.4Å; L642-L663 HydrophobicContact CG-CD1 4.39Å; L642-L663 HydrophobicContact CG-CD2 3.95Å; L642-L666 HydrophobicContact CD1-CD2 4.05Å; L642-P667 HydrophobicContact CB-CG 4.08Å
643	P	95.3	Very high	95.1	Very high	16 Å²	16	40.5 Å²	40.5	10%	0.104	19%	0.194	C	C	.	.			trans	-54.5	145.8	172	-27.1	37.3	0	0	0	112	L620 P621 M624 E645 F646	L620-P643 HydrophobicContact CB-CG 4.2Å; P621-P643 WeakPolarHBondContact O-CG 3.27Å; M624-P643 HydrophobicContact CE-CB 4.06Å; M624-P643 HydrophobicContact CE-CG 3.67Å; P643-E645 VanDerWaalsContact C-N 3.28Å; P643-E645 PolarHBondContact O-N 3.39Å; P643-F646 VanDerWaalsContact O-CB 3.27Å; P643-F646 WeakPolarHBondContact O-CB 3.36Å; P643-F646 PolarHBondContact O-N 2.86Å; P643-F646 VanDerWaalsContact O-N 3.09Å
644	E	93.7	Very high	95	Very high	132 Å²	132	44 Å²	44	62%	0.617	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-28.8	-169.4	-69.7	176	-170.7	0	0	112.6	K641 F646	K641-E644 IonicContact NZ-OE1 2.71Å; K641-E644 PolarHBondContact NZ-OE1 2.82Å; E644-F646 VanDerWaalsContact C-N 3.34Å
645	E	91.2	Very high	94.9	Very high	96 Å²	96	45.3 Å²	45.3	45%	0.449	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-10.8	175.3	-61.7	177.2	168.7	0	0	113.8	P643 L647 S648 S649	P643-E645 VanDerWaalsContact C-N 3.28Å; P643-E645 PolarHBondContact O-N 3.39Å; E645-L647 PolarHBondContact O-N 2.8Å; E645-S648 WeakPolarHBondContact CA-OG 3.45Å; E645-S648 PolarHBondContact O-N 3.31Å; E645-S648 PolarHBondContact O-OG 2.66Å; E645-S649 VanDerWaalsContact O-CB 3.27Å; E645-S649 WeakPolarHBondContact O-CB 3.38Å; E645-S649 PolarHBondContact O-N 2.86Å; E645-S649 PolarHBondContact O-OG 2.91Å
646	F	94.2	Very high	95	Very high	2 Å²	2	45 Å²	45	1%	0.009	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-53.5	-168	169.2	-126.7	0	0	0	113	M624 L632 L642 P643 E644 S648 S649 A650 L653 L656	M624-F646 HydrophobicContact CE-CB 3.82Å; M624-F646 HydrophobicContact CE-CD2 3.82Å; M624-F646 HydrophobicContact CE-CG 4.04Å; M624-F646 HydrophobicContact SD-CB 4.08Å; M624-F646 HydrophobicContact SD-CD2 3.53Å; M624-F646 VanDerWaalsContact SD-CD2 3.53Å; M624-F646 HydrophobicContact SD-CE2 4.46Å; M624-F646 HydrophobicContact SD-CG 4.21Å; L632-F646 HydrophobicContact CD2-CE2 3.97Å; L632-F646 HydrophobicContact CD2-CZ 3.72Å; L642-F646 HydrophobicContact CB-CD1 4.09Å; L642-F646 HydrophobicContact CD1-CD1 3.95Å; L642-F646 HydrophobicContact CD1-CE1 4.12Å; L642-F646 HydrophobicContact CD2-CD1 4.12Å; L642-F646 HydrophobicContact CD2-CE1 4.22Å; L642-F646 HydrophobicContact CG-CD1 4.27Å; P643-F646 VanDerWaalsContact O-CB 3.27Å; P643-F646 WeakPolarHBondContact O-CB 3.36Å; P643-F646 PolarHBondContact O-N 2.86Å; P643-F646 VanDerWaalsContact O-N 3.09Å; E644-F646 VanDerWaalsContact C-N 3.34Å; F646-S648 VanDerWaalsContact C-N 3.33Å; F646-S649 PolarHBondContact O-N 2.85Å; F646-A650 HydrophobicContact CD2-CB 4.34Å; F646-A650 HydrophobicContact CE2-CB 4.13Å; F646-A650 WeakPolarHBondContact O-CB 3.42Å; F646-A650 PolarHBondContact O-N 3.26Å; F646-A650 VanDerWaalsContact O-N 3.08Å; F646-L653 HydrophobicContact CE2-CD2 4.44Å; F646-L653 HydrophobicContact CZ-CD2 4.02Å; F646-L656 HydrophobicContact CE1-CD1 4.36Å; F646-L656 HydrophobicContact CE1-CD2 3.98Å; F646-L656 HydrophobicContact CZ-CD1 4.04Å; F646-L656 HydrophobicContact CZ-CD2 4.19Å
647	L	94	Very high	95	Very high	10 Å²	10	42.8 Å²	42.8	5%	0.052	20%	0.202	C	C	.	.	H	α-helix	trans	-79.3	-16.8	-177.6	-66.8	-175.7	0	0	0	113	E645 L656 L666 P667 P669 I678 V695	E645-L647 PolarHBondContact O-N 2.8Å; L647-L656 HydrophobicContact CD2-CD2 3.87Å; L647-L666 HydrophobicContact CD1-CB 4.41Å; L647-P667 HydrophobicContact CB-CG 4.19Å; L647-P667 HydrophobicContact CD1-CG 3.93Å; L647-P667 HydrophobicContact CG-CG 3.86Å; L647-P669 HydrophobicContact CB-CB 4.38Å; L647-I678 HydrophobicContact CD2-CD1 4.43Å; L647-V695 HydrophobicContact CD1-CG1 4.33Å
648	S	92.4	Very high	95.1	Very high	38 Å²	38	42.7 Å²	42.7	27%	0.266	20%	0.202	S	C	.	.	H	α-helix	trans	-82.9	-29.2	171.1	56	0	0	0	0	113.3	E645 F646 H651	E645-S648 WeakPolarHBondContact CA-OG 3.45Å; E645-S648 PolarHBondContact O-N 3.31Å; E645-S648 PolarHBondContact O-OG 2.66Å; F646-S648 VanDerWaalsContact C-N 3.33Å; S648-H651 PolarHBondContact O-CD2 3.25Å; S648-H651 VanDerWaalsContact O-CD2 3.26Å; S648-H651 PolarHBondContact O-NE2 2.91Å
649	S	91.3	Very high	95.1	Very high	25 Å²	25	39.7 Å²	39.7	18%	0.175	19%	0.188	C	C	.	.	H	α-helix	trans	-96	-20.9	-179	-69.4	0	0	0	0	114.8	M624 E645 F646 H651	M624-S649 WeakPolarHBondContact O-CB 3.38Å; M624-S649 PolarHBondContact O-OG 2.62Å; E645-S649 VanDerWaalsContact O-CB 3.27Å; E645-S649 WeakPolarHBondContact O-CB 3.38Å; E645-S649 PolarHBondContact O-N 2.86Å; E645-S649 PolarHBondContact O-OG 2.91Å; F646-S649 PolarHBondContact O-N 2.85Å; S649-H651 PolarHBondContact O-N 2.89Å
650	A	92.1	Very high	95	Very high	9 Å²	9	40.9 Å²	40.9	7%	0.074	19%	0.193	C	C	.	.			trans	-79	49.5	-176	0	0	0	0	0	114.3	C627 F646 R652 L653	C627-A650 HydrophobicContact CB-CB 4.48Å; F646-A650 HydrophobicContact CD2-CB 4.34Å; F646-A650 HydrophobicContact CE2-CB 4.13Å; F646-A650 WeakPolarHBondContact O-CB 3.42Å; F646-A650 PolarHBondContact O-N 3.26Å; F646-A650 VanDerWaalsContact O-N 3.08Å; A650-R652 PolarHBondContact O-N 2.96Å; A650-L653 HydrophobicContact CB-CB 4.14Å; A650-L653 HydrophobicContact CB-CD2 4.08Å; A650-L653 VanDerWaalsContact O-CB 3.24Å; A650-L653 WeakPolarHBondContact O-CB 3.4Å; A650-L653 PolarHBondContact O-N 2.87Å
651	H	91.5	Very high	95.1	Very high	71 Å²	71	35.7 Å²	35.7	33%	0.329	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-17.3	-171.7	-57	142.5	0	0	0	116.3	S648 S649 L675 K677	S648-H651 PolarHBondContact O-CD2 3.25Å; S648-H651 VanDerWaalsContact O-CD2 3.26Å; S648-H651 PolarHBondContact O-NE2 2.91Å; S649-H651 PolarHBondContact O-N 2.89Å; H651-L675 HydrophobicContact CB-CB 4.45Å; H651-L675 WeakPolarHBondContact NE2-CD1 3.3Å; H651-K677 VanDerWaalsContact O-CG 3.25Å; H651-K677 WeakPolarHBondContact O-CG 3.24Å
652	R	92.3	Very high	95.1	Very high	94 Å²	94	36.1 Å²	36.1	36%	0.355	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-7.4	179.2	-57.8	-167.8	-165.4	161.8	8	113.8	N605 I629 E630 A650 Y654	N605-R652 PolarHBondContact O-NH1 3.4Å; I629-R652 CarbonylContact O-C 3.59Å; E630-R652 HydrophobicContact CG-CB 4.45Å; A650-R652 PolarHBondContact O-N 2.96Å; R652-Y654 VanDerWaalsContact O-CD2 3.3Å; R652-Y654 WeakPolarHBondContact O-CD2 3.32Å; R652-Y654 WeakPolarHBondContact O-CE2 3.19Å; R652-Y654 PolarHBondContact O-N 3.37Å
653	L	94.5	Very high	95.2	Very high	3 Å²	3	36 Å²	36	2%	0.016	17%	0.168	C	C	.	.			trans	-70.4	115.7	-169	-168.2	59.7	0	0	0	111.3	I629 L632 F646 A650 I655 L656 K677 I678	I629-L653 HydrophobicContact CG2-CD1 4.2Å; I629-L653 VanDerWaalsContact O-CA 3.25Å; I629-L653 WeakPolarHBondContact O-CA 3.12Å; I629-L653 PolarHBondContact O-N 3.13Å; L632-L653 HydrophobicContact CB-CD1 3.93Å; F646-L653 HydrophobicContact CE2-CD2 4.44Å; F646-L653 HydrophobicContact CZ-CD2 4.02Å; A650-L653 HydrophobicContact CB-CB 4.14Å; A650-L653 HydrophobicContact CB-CD2 4.08Å; A650-L653 VanDerWaalsContact O-CB 3.24Å; A650-L653 WeakPolarHBondContact O-CB 3.4Å; A650-L653 PolarHBondContact O-N 2.87Å; L653-I655 WeakPolarHBondContact CD1-O 3.46Å; L653-L656 HydrophobicContact CD2-CB 3.99Å; L653-L656 HydrophobicContact CD2-CD1 4.22Å; L653-L656 HydrophobicContact CD2-CD2 4.02Å; L653-L656 HydrophobicContact CD2-CG 4.3Å; L653-L656 HydrophobicContact CG-CB 4.31Å; L653-K677 CarbonylContact O-C 3.6Å; L653-K677 VanDerWaalsContact O-C 3.27Å; L653-I678 HydrophobicContact CB-CG1 4.36Å; L653-I678 HydrophobicContact CD2-CD1 4.15Å; L653-I678 HydrophobicContact CG-CD1 4.44Å; L653-I678 HydrophobicContact CG-CG1 4.3Å; L653-I678 VanDerWaalsContact O-CA 3.3Å; L653-I678 WeakPolarHBondContact O-CA 3.5Å; L653-I678 WeakPolarHBondContact O-CG1 3.27Å; L653-I678 PolarHBondContact O-N 3.26Å; L653-I678 VanDerWaalsContact O-N 3.12Å
654	Y	95.2	Very high	95.2	Very high	81 Å²	81	37.5 Å²	37.5	32%	0.318	18%	0.182	S	C	.	.	S	Bend	trans	-100.3	-30.1	174.9	-67.1	-66.8	0	0	0	112.4	E630 R652 K677 K679 E680	E630-Y654 HydrophobicContact CB-CD2 4.11Å; E630-Y654 HydrophobicContact CG-CD2 4.16Å; E630-Y654 HydrophobicContact CG-CE2 4.26Å; E630-Y654 PolarHBondContact O-N 3Å; R652-Y654 VanDerWaalsContact O-CD2 3.3Å; R652-Y654 WeakPolarHBondContact O-CD2 3.32Å; R652-Y654 WeakPolarHBondContact O-CE2 3.19Å; R652-Y654 PolarHBondContact O-N 3.37Å; Y654-K677 HydrophobicContact CD1-CB 4.12Å; Y654-K677 WeakPolarHBondContact CD1-O 3.36Å; Y654-K677 HydrophobicContact CE1-CB 3.89Å; Y654-K677 HydrophobicContact CE1-CG 4.43Å; Y654-K679 HydrophobicContact CD1-CD 4.02Å; Y654-K679 HydrophobicContact CD1-CG 4.35Å; Y654-K679 PolarHBondContact O-N 2.83Å; Y654-E680 PolarHBondContact O-N 3.09Å
655	I	96.9	Very high	95.4	Very high	28 Å²	28	36.3 Å²	36.3	14%	0.144	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	115.1	-172.6	-56	179.8	0	0	0	108.5	E630 T631 L632 L633 L653 E680	E630-I655 PolarHBondContact O-N 2.95Å; E630-I655 VanDerWaalsContact O-N 3.11Å; T631-I655 WeakPolarHBondContact CA-O 3.48Å; T631-I655 HydrophobicContact CG2-CB 4.03Å; T631-I655 HydrophobicContact CG2-CG2 4.02Å; L632-I655 PolarHBondContact N-O 3.31Å; L633-I655 HydrophobicContact CD2-CG2 4.49Å; L653-I655 WeakPolarHBondContact CD1-O 3.46Å; I655-E680 WeakPolarHBondContact CA-O 3.5Å; I655-E680 HydrophobicContact CB-CB 4.39Å; I655-E680 WeakPolarHBondContact CD1-OE1 3.34Å; I655-E680 HydrophobicContact CG1-CB 4.15Å; I655-E680 HydrophobicContact CG1-CG 4.3Å; I655-E680 HydrophobicContact CG2-CB 4.08Å
656	L	97.8	Very high	95.7	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.016	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	121.2	177.4	178.3	55.4	0	0	0	109.7	L632 F646 L647 L653 L658 I678 E680 L681 C682	L632-L656 HydrophobicContact CB-CD1 4.1Å; L632-L656 HydrophobicContact CD2-CD1 3.99Å; L632-L656 HydrophobicContact CG-CD1 4.22Å; F646-L656 HydrophobicContact CE1-CD1 4.36Å; F646-L656 HydrophobicContact CE1-CD2 3.98Å; F646-L656 HydrophobicContact CZ-CD1 4.04Å; F646-L656 HydrophobicContact CZ-CD2 4.19Å; L647-L656 HydrophobicContact CD2-CD2 3.87Å; L653-L656 HydrophobicContact CD2-CB 3.99Å; L653-L656 HydrophobicContact CD2-CD1 4.22Å; L653-L656 HydrophobicContact CD2-CD2 4.02Å; L653-L656 HydrophobicContact CD2-CG 4.3Å; L653-L656 HydrophobicContact CG-CB 4.31Å; L656-L658 HydrophobicContact CD1-CD1 3.8Å; L656-L658 HydrophobicContact CD1-CG 3.9Å; L656-L658 HydrophobicContact CD2-CD1 3.86Å; L656-L658 HydrophobicContact CG-CD1 3.86Å; L656-L658 HydrophobicContact CG-CG 4.26Å; L656-I678 HydrophobicContact CB-CD1 4.3Å; L656-I678 HydrophobicContact CD2-CD1 4.13Å; L656-E680 PolarHBondContact N-O 2.88Å; L656-L681 HydrophobicContact CB-CD1 3.97Å; L656-L681 HydrophobicContact CD2-CD1 3.9Å; L656-L681 HydrophobicContact CG-CD1 4.02Å; L656-L681 WeakPolarHBondContact O-CA 3.37Å; L656-C682 PolarHBondContact O-N 3.04Å
657	N	98.3	Very high	95.8	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	112.7	175.5	-169.6	-0	0	0	0	111.4	L632 L633 L634 H635 S659 C682 A1078	L632-N657 PolarHBondContact O-N 3.38Å; L633-N657 HydrophobicContact CD2-CB 3.71Å; L634-N657 CarbonylContact C-O 3.49Å; L634-N657 WeakPolarHBondContact CA-O 3.49Å; L634-N657 PolarHBondContact N-O 2.96Å; H635-N657 PolarHBondContact N-O 3.33Å; H635-N657 PolarHBondContact ND1-ND2 2.82Å; N657-S659 WeakPolarHBondContact OD1-CB 3.41Å; N657-S659 PolarHBondContact OD1-N 3.28Å; N657-S659 VanDerWaalsContact OD1-N 3.14Å; N657-S659 PolarHBondContact OD1-OG 2.75Å; N657-C682 HydrophobicContact CB-CB 4.12Å; N657-C682 VanDerWaalsContact OD1-CB 3.28Å; N657-C682 WeakPolarHBondContact OD1-CB 3.4Å; N657-C682 PolarHBondContact OD1-O 3.05Å; N657-A1078 PolarHBondContact ND2-O 2.91Å
658	L	98.5	Very high	95.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.			trans	-122.7	18.6	-179.8	-73.7	159.7	0	0	0	111.2	L634 I639 L642 L656 N661 L663 C682 L683 N686	L634-L658 HydrophobicContact CB-CD2 3.84Å; L634-L658 HydrophobicContact CD1-CD2 3.86Å; I639-L658 HydrophobicContact CD1-CD2 4.19Å; L642-L658 HydrophobicContact CD1-CD1 3.78Å; L642-L658 HydrophobicContact CD2-CD1 4.1Å; L642-L658 HydrophobicContact CD2-CD2 4.01Å; L656-L658 HydrophobicContact CD1-CD1 3.8Å; L656-L658 HydrophobicContact CD1-CG 3.9Å; L656-L658 HydrophobicContact CD2-CD1 3.86Å; L656-L658 HydrophobicContact CG-CD1 3.86Å; L656-L658 HydrophobicContact CG-CG 4.26Å; L658-N661 WeakPolarHBondContact O-CB 3.42Å; L658-N661 PolarHBondContact O-ND2 3.25Å; L658-L663 HydrophobicContact CB-CD1 3.99Å; L658-L663 HydrophobicContact CD1-CD1 3.99Å; L658-L663 HydrophobicContact CD2-CD1 4.44Å; L658-L663 HydrophobicContact CG-CD1 4.39Å; L658-C682 PolarHBondContact N-O 2.82Å; L658-L683 HydrophobicContact CB-CD2 4.04Å; L658-L683 HydrophobicContact CD1-CD2 4.23Å; L658-N686 PolarHBondContact O-ND2 2.86Å
659	S	98.4	Very high	95.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.			trans	-60.3	149.7	179.4	-49.3	0	0	0	0	111.9	H635 H636 N657 N661 C682 A684	H635-S659 CarbonylContact C-O 3.31Å; H635-S659 WeakPolarHBondContact CA-O 3.41Å; H635-S659 VanDerWaalsContact CB-O 3.23Å; H635-S659 WeakPolarHBondContact CB-O 3.39Å; H636-S659 PolarHBondContact N-O 3.28Å; N657-S659 WeakPolarHBondContact OD1-CB 3.41Å; N657-S659 PolarHBondContact OD1-N 3.28Å; N657-S659 VanDerWaalsContact OD1-N 3.14Å; N657-S659 PolarHBondContact OD1-OG 2.75Å; S659-N661 PolarHBondContact O-ND2 3.11Å; S659-C682 PolarHBondContact N-O 3.38Å; S659-C682 WeakPolarHBondContact OG-CB 3.36Å; S659-C682 PolarHBondContact OG-O 2.79Å; S659-A684 CarbonylContact C-O 3.38Å; S659-A684 WeakPolarHBondContact CA-O 3.49Å; S659-A684 WeakPolarHBondContact CB-O 3.25Å; S659-A684 PolarHBondContact OG-N 2.95Å
660	H	96.9	Very high	96	Very high	25 Å²	25	34.2 Å²	34.2	12%	0.116	17%	0.171	C	C	.	.	S	Bend	trans	51.5	63.1	-170.7	-85.3	65	0	0	0	112.7	H636 N637 A684 S685 Q1058 Y1071 I1075 Y1079	H636-H660 WeakPolarHBondContact CA-O 3.3Å; H636-H660 HydrophobicContact CB-CB 4.33Å; H636-H660 PolarHBondContact N-O 3.02Å; N637-H660 PolarHBondContact N-O 3.32Å; H660-A684 PolarHBondContact N-O 3.1Å; H660-S685 WeakPolarHBondContact CA-O 3.47Å; H660-S685 VanDerWaalsContact CE1-CB 3.41Å; H660-S685 WeakPolarHBondContact CE1-CB 3.49Å; H660-S685 PolarHBondContact CE1-OG 3.47Å; H660-S685 PolarHBondContact N-O 2.67Å; H660-S685 WeakPolarHBondContact ND1-CB 3.34Å; H660-Q1058 PolarHBondContact NE2-NE2 3.29Å; H660-Y1071 AromaticContact CE1-CE1 3.71Å; H660-Y1071 AromaticContact CE1-CZ 3.18Å; H660-Y1071 PolarHBondContact CE1-OH 2.96Å; H660-Y1071 AromaticContact NE2-CE1 4Å; H660-Y1071 AromaticContact NE2-CZ 3.71Å; H660-Y1071 PolarHBondContact NE2-OH 3.3Å; H660-I1075 WeakPolarHBondContact CE1-CD1 3.41Å; H660-I1075 WeakPolarHBondContact CE1-CG1 3.18Å; H660-I1075 WeakPolarHBondContact CE1-CG2 3.45Å; H660-Y1079 HydrophobicContact CB-CE1 4.14Å; H660-Y1079 PolarHBondContact CD2-OH 3.24Å; H660-Y1079 AromaticContact ND1-CE1 3.93Å; H660-Y1079 PolarHBondContact ND1-OH 3.4Å
661	N	98.1	Very high	96	Very high	13 Å²	13	40.2 Å²	40.2	7%	0.07	20%	0.198	C	C	.	.	S	Bend	trans	-132.1	-159.7	167.4	-82.8	-80.6	0	0	0	108.9	L634 N637 H638 I639 L658 S659 L663 S685 N686	L634-N661 PolarHBondContact O-ND2 2.88Å; N637-N661 VanDerWaalsContact CB-OD1 3.22Å; N637-N661 WeakPolarHBondContact CB-OD1 3.39Å; H638-N661 PolarHBondContact N-OD1 3.12Å; I639-N661 HydrophobicContact CB-CB 4.41Å; I639-N661 VanDerWaalsContact CB-OD1 3.32Å; I639-N661 WeakPolarHBondContact CB-OD1 3.44Å; I639-N661 WeakPolarHBondContact CG1-OD1 3.2Å; I639-N661 PolarHBondContact N-OD1 3.03Å; L658-N661 WeakPolarHBondContact O-CB 3.42Å; L658-N661 PolarHBondContact O-ND2 3.25Å; S659-N661 PolarHBondContact O-ND2 3.11Å; N661-L663 HydrophobicContact CB-CG 4.37Å; N661-S685 PolarHBondContact N-O 2.78Å; N661-N686 WeakPolarHBondContact CA-OD1 3.36Å; N661-N686 VanDerWaalsContact CB-OD1 3.29Å; N661-N686 WeakPolarHBondContact CB-OD1 3.46Å; N661-N686 PolarHBondContact O-OD1 2.92Å
662	R	97.6	Very high	96.1	Very high	108 Å²	108	40.4 Å²	40.4	41%	0.408	20%	0.204	S	C	.	.			trans	-125	21.6	-174.3	-53.4	-179.9	-169.1	-175.7	7.4	112.1	H638 I639 Q640 A664 N686	H638-R662 VanDerWaalsContact CG-NH2 3.33Å; H638-R662 PolarHBondContact ND1-NH2 3.06Å; I639-R662 CarbonylContact O-C 3.6Å; I639-R662 WeakPolarHBondContact O-CA 3.45Å; I639-R662 WeakPolarHBondContact O-CB 3.45Å; I639-R662 PolarHBondContact O-N 2.98Å; Q640-R662 HydrophobicContact CG-CB 4.04Å; R662-A664 PolarHBondContact O-N 2.97Å; R662-N686 PolarHBondContact N-OD1 3.21Å
663	L	98.3	Very high	95.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.199	C	C	.	.			trans	-66.5	119.7	-173.3	-59.7	176	0	0	0	111.5	I639 L642 L658 N661 L666 L683 N686 Q687 L688	I639-L663 HydrophobicContact CG2-CD2 3.96Å; L642-L663 HydrophobicContact CD1-CD1 4.22Å; L642-L663 HydrophobicContact CD2-CD2 4.4Å; L642-L663 HydrophobicContact CG-CD1 4.39Å; L642-L663 HydrophobicContact CG-CD2 3.95Å; L658-L663 HydrophobicContact CB-CD1 3.99Å; L658-L663 HydrophobicContact CD1-CD1 3.99Å; L658-L663 HydrophobicContact CD2-CD1 4.44Å; L658-L663 HydrophobicContact CG-CD1 4.39Å; N661-L663 HydrophobicContact CB-CG 4.37Å; L663-L666 HydrophobicContact CD1-CD2 4.41Å; L663-L683 HydrophobicContact CD1-CD2 4.42Å; L663-N686 HydrophobicContact CB-CB 4.39Å; L663-N686 WeakPolarHBondContact CB-OD1 3.42Å; L663-N686 WeakPolarHBondContact CG-OD1 3.4Å; L663-N686 PolarHBondContact N-OD1 2.95Å; L663-Q687 CarbonylContact O-C 3.2Å; L663-Q687 VanDerWaalsContact O-C 3.31Å; L663-Q687 VanDerWaalsContact O-CA 3.29Å; L663-Q687 WeakPolarHBondContact O-CA 3.07Å; L663-Q687 WeakPolarHBondContact O-CB 3.46Å; L663-Q687 PolarHBondContact O-N 3.35Å; L663-L688 HydrophobicContact CB-CD2 4.07Å; L663-L688 WeakPolarHBondContact O-CD2 3.44Å; L663-L688 PolarHBondContact O-N 3.17Å
664	A	96.8	Very high	95.7	Very high	48 Å²	48	43.1 Å²	43.1	40%	0.397	22%	0.224	S	C	.	.	S	Bend	trans	-90.9	-22.8	173.2	0	0	0	0	0	113.3	R662 Q687	R662-A664 PolarHBondContact O-N 2.97Å; A664-Q687 HydrophobicContact CB-CB 4.37Å
665	Q	96.4	Very high	95.6	Very high	107 Å²	107	42.1 Å²	42.1	50%	0.5	22%	0.224	S	C	.	.			trans	-148.8	165	-179.9	65.7	-174.8	70.2	0	0	110.7
666	L	97.6	Very high	95.5	Very high	18 Å²	18	41 Å²	41	9%	0.094	22%	0.218	C	C	.	.			trans	-110.5	148.4	169.1	-60.3	176.2	0	0	0	109.4	L642 L647 L663 L683 L688 A692 V695 I696	L642-L666 HydrophobicContact CD1-CD2 4.05Å; L647-L666 HydrophobicContact CD1-CB 4.41Å; L663-L666 HydrophobicContact CD1-CD2 4.41Å; L666-L683 HydrophobicContact CD1-CD1 3.98Å; L666-L683 HydrophobicContact CD2-CD2 4.07Å; L666-L688 HydrophobicContact CD2-CD2 4.3Å; L666-L688 HydrophobicContact CG-CD2 4.17Å; L666-A692 HydrophobicContact CD1-CB 4.25Å; L666-A692 HydrophobicContact CG-CB 4.39Å; L666-V695 HydrophobicContact CB-CB 4.29Å; L666-V695 HydrophobicContact CB-CG1 3.84Å; L666-V695 HydrophobicContact CB-CG2 4.39Å; L666-V695 HydrophobicContact CD1-CG1 4.08Å; L666-I696 HydrophobicContact CD1-CD1 4.16Å; L666-I696 HydrophobicContact CD1-CG1 3.91Å
667	P	96.2	Very high	95.3	Very high	15 Å²	15	44.2 Å²	44.2	10%	0.097	23%	0.232	C	C	.	.			trans	-73.7	166.2	171.1	33.1	-35	0	0	0	110.9	L642 L647 V695	L642-P667 HydrophobicContact CB-CG 4.08Å; L647-P667 HydrophobicContact CB-CG 4.19Å; L647-P667 HydrophobicContact CD1-CG 3.93Å; L647-P667 HydrophobicContact CG-CG 3.86Å; P667-V695 WeakPolarHBondContact O-CG1 3.43Å
668	S	94.7	Very high	95.2	Very high	75 Å²	75	44.3 Å²	44.3	52%	0.524	23%	0.233	S	C	.	.			trans	-63.7	141	175.4	-66	0	0	0	0	111.5
669	P	94.7	Very high	95.2	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.026	25%	0.25	C	C	.	.			trans	-83.9	-179.6	170.1	38.4	-33	0	0	0	109.9	L647 R698 Y699	L647-P669 HydrophobicContact CB-CB 4.38Å; P669-R698 HydrophobicContact CG-CB 3.79Å; P669-R698 VanDerWaalsContact CG-CD 3.5Å; P669-R698 HydrophobicContact CG-CG 4.14Å; P669-Y699 HydrophobicContact CB-CE2 4.18Å; P669-Y699 WeakPolarHBondContact CB-OH 3.39Å
670	S	93.2	Very high	95.1	Very high	15 Å²	15	50.7 Å²	50.7	11%	0.105	26%	0.261	C	S	.	.			trans	-62.5	140.3	-179.4	-163	0	0	0	0	111.9	V672 N676	S670-V672 PolarHBondContact O-N 2.98Å; S670-N676 WeakPolarHBondContact CB-OD1 3.48Å; S670-N676 PolarHBondContact N-OD1 3.44Å; S670-N676 PolarHBondContact O-ND2 2.9Å
671	E	92.6	Very high	95.2	Very high	136 Å²	136	49.7 Å²	49.7	64%	0.636	26%	0.257	S	S	*	.	S	Bend	trans	-65.4	-32	175.2	-72	-55.3	134.3	0	0	112	S673 R698	E671-S673 PolarHBondContact O-N 3.15Å; E671-S673 VanDerWaalsContact O-N 3.17Å; E671-R698 IonicContact OE1-CZ 3.77Å; E671-R698 IonicContact OE1-NH1 2.64Å; E671-R698 PolarHBondContact OE1-NH1 3.16Å; E671-R698 IonicContact OE1-NH2 2.76Å; E671-R698 PolarHBondContact OE1-NH2 3.2Å; E671-R698 IonicContact OE2-CZ 3.66Å; E671-R698 IonicContact OE2-NH1 3.91Å; E671-R698 IonicContact OE2-NH2 2.9Å; E671-R698 PolarHBondContact OE2-NH2 2.67Å
672	V	93.4	Very high	95.2	Very high	75 Å²	75	49.5 Å²	49.5	46%	0.455	26%	0.256	S	S	.	.	S	Bend	trans	-76.5	102.5	173.4	-175.6	0	0	0	0	108.9	S670 E674 L675	S670-V672 PolarHBondContact O-N 2.98Å; V672-E674 HydrophobicContact CG1-CB 4.17Å; V672-E674 PolarHBondContact O-N 3.1Å; V672-L675 HydrophobicContact CB-CD1 3.86Å; V672-L675 HydrophobicContact CB-CG 3.98Å; V672-L675 HydrophobicContact CG1-CD1 4.15Å; V672-L675 HydrophobicContact CG1-CG 3.91Å; V672-L675 HydrophobicContact CG2-CD1 4.43Å; V672-L675 WeakPolarHBondContact O-CB 3.5Å; V672-L675 PolarHBondContact O-N 3.03Å
673	S	88	Confident	95.2	Very high	37 Å²	37	44.3 Å²	44.3	26%	0.259	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-57.2	-29.2	-172.2	76.2	0	0	0	0	113.9	E671 L675 N676	E671-S673 PolarHBondContact O-N 3.15Å; E671-S673 VanDerWaalsContact O-N 3.17Å; S673-L675 PolarHBondContact O-N 2.8Å; S673-N676 WeakPolarHBondContact O-CB 3.43Å; S673-N676 PolarHBondContact O-N 3.47Å
674	E	90.6	Very high	95.2	Very high	117 Å²	117	44.3 Å²	44.3	55%	0.547	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-65.6	-22.6	179.1	-69.3	67.4	-163	0	0	112.2	V672 K677	V672-E674 HydrophobicContact CG1-CB 4.17Å; V672-E674 PolarHBondContact O-N 3.1Å; E674-K677 WeakPolarHBondContact O-CD 3.47Å; E674-K677 WeakPolarHBondContact O-CE 3.5Å; E674-K677 PolarHBondContact O-NZ 3.06Å
675	L	92.7	Very high	95.3	Very high	59 Å²	59	42.9 Å²	42.9	31%	0.309	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-89	-11.4	178.9	-55.5	-179.5	0	0	0	113	H651 V672 S673 K677	H651-L675 HydrophobicContact CB-CB 4.45Å; H651-L675 WeakPolarHBondContact NE2-CD1 3.3Å; V672-L675 HydrophobicContact CB-CD1 3.86Å; V672-L675 HydrophobicContact CB-CG 3.98Å; V672-L675 HydrophobicContact CG1-CD1 4.15Å; V672-L675 HydrophobicContact CG1-CG 3.91Å; V672-L675 HydrophobicContact CG2-CD1 4.43Å; V672-L675 WeakPolarHBondContact O-CB 3.5Å; V672-L675 PolarHBondContact O-N 3.03Å; S673-L675 PolarHBondContact O-N 2.8Å; L675-K677 VanDerWaalsContact C-N 3.33Å; L675-K677 PolarHBondContact O-N 3.44Å
676	N	94	Very high	95.4	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	20%	0.203	C	C	.	.			trans	-82.6	73.8	-179.1	-65.3	-31.2	0	0	0	110.9	S670 S673 I678 Y699	S670-N676 WeakPolarHBondContact CB-OD1 3.48Å; S670-N676 PolarHBondContact N-OD1 3.44Å; S670-N676 PolarHBondContact O-ND2 2.9Å; S673-N676 WeakPolarHBondContact O-CB 3.43Å; S673-N676 PolarHBondContact O-N 3.47Å; N676-I678 PolarHBondContact O-N 2.78Å; N676-Y699 HydrophobicContact CB-CD1 3.68Å; N676-Y699 HydrophobicContact CB-CE1 3.73Å
677	K	94.3	Very high	95.4	Very high	71 Å²	71	40.8 Å²	40.8	31%	0.309	21%	0.214	S	C	.	.			trans	-81.2	-4.3	-167.5	-65.1	-51.2	-165	-164.1	0	117.4	H651 L653 Y654 E674 L675 K679	H651-K677 VanDerWaalsContact O-CG 3.25Å; H651-K677 WeakPolarHBondContact O-CG 3.24Å; L653-K677 CarbonylContact O-C 3.6Å; L653-K677 VanDerWaalsContact O-C 3.27Å; Y654-K677 HydrophobicContact CD1-CB 4.12Å; Y654-K677 WeakPolarHBondContact CD1-O 3.36Å; Y654-K677 HydrophobicContact CE1-CB 3.89Å; Y654-K677 HydrophobicContact CE1-CG 4.43Å; E674-K677 WeakPolarHBondContact O-CD 3.47Å; E674-K677 WeakPolarHBondContact O-CE 3.5Å; E674-K677 PolarHBondContact O-NZ 3.06Å; L675-K677 VanDerWaalsContact C-N 3.33Å; L675-K677 PolarHBondContact O-N 3.44Å; K677-K679 PolarHBondContact O-N 3.25Å
678	I	97	Very high	95.5	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	21%	0.21	C	C	.	.			trans	-59.6	134.1	-172.7	-55.7	-179.7	0	0	0	111.8	L647 L653 L656 N676 E680 L681 Y699 L702	L647-I678 HydrophobicContact CD2-CD1 4.43Å; L653-I678 HydrophobicContact CB-CG1 4.36Å; L653-I678 HydrophobicContact CD2-CD1 4.15Å; L653-I678 HydrophobicContact CG-CD1 4.44Å; L653-I678 HydrophobicContact CG-CG1 4.3Å; L653-I678 VanDerWaalsContact O-CA 3.3Å; L653-I678 WeakPolarHBondContact O-CA 3.5Å; L653-I678 WeakPolarHBondContact O-CG1 3.27Å; L653-I678 PolarHBondContact O-N 3.26Å; L653-I678 VanDerWaalsContact O-N 3.12Å; L656-I678 HydrophobicContact CB-CD1 4.3Å; L656-I678 HydrophobicContact CD2-CD1 4.13Å; N676-I678 PolarHBondContact O-N 2.78Å; I678-E680 WeakPolarHBondContact CG2-O 3.13Å; I678-L681 HydrophobicContact CG2-CB 4.01Å; I678-Y699 HydrophobicContact CB-CD1 3.68Å; I678-Y699 HydrophobicContact CB-CE1 3.94Å; I678-Y699 HydrophobicContact CB-CG 4.26Å; I678-Y699 HydrophobicContact CD1-CD1 4.17Å; I678-Y699 HydrophobicContact CD1-CE1 3.55Å; I678-Y699 HydrophobicContact CD1-CE2 4.29Å; I678-Y699 HydrophobicContact CG1-CD1 3.91Å; I678-Y699 HydrophobicContact CG1-CE1 3.6Å; I678-L702 HydrophobicContact CG2-CD1 4.04Å
679	K	97.1	Very high	95.6	Very high	81 Å²	81	39.4 Å²	39.4	35%	0.352	20%	0.202	S	C	.	.	S	Bend	trans	-116.8	-37.7	178.6	-67.9	173.9	-176.5	165.4	0	112.7	Y654 K677 L702 Q703 V704	Y654-K679 HydrophobicContact CD1-CD 4.02Å; Y654-K679 HydrophobicContact CD1-CG 4.35Å; Y654-K679 PolarHBondContact O-N 2.83Å; K677-K679 PolarHBondContact O-N 3.25Å; K679-L702 WeakPolarHBondContact O-CD1 3.33Å; K679-Q703 HydrophobicContact CB-CG 4.28Å; K679-Q703 HydrophobicContact CG-CG 4.45Å; K679-Q703 WeakPolarHBondContact O-CA 3.5Å; K679-Q703 PolarHBondContact O-N 3.25Å; K679-V704 PolarHBondContact O-N 2.94Å
680	E	97.4	Very high	95.6	Very high	52 Å²	52	41.2 Å²	41.2	24%	0.243	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117.7	173.1	-62.5	-180	-135.3	0	0	108.6	Y654 I655 L656 I678 V704 R1080	Y654-E680 PolarHBondContact O-N 3.09Å; I655-E680 WeakPolarHBondContact CA-O 3.5Å; I655-E680 HydrophobicContact CB-CB 4.39Å; I655-E680 WeakPolarHBondContact CD1-OE1 3.34Å; I655-E680 HydrophobicContact CG1-CB 4.15Å; I655-E680 HydrophobicContact CG1-CG 4.3Å; I655-E680 HydrophobicContact CG2-CB 4.08Å; L656-E680 PolarHBondContact N-O 2.88Å; I678-E680 WeakPolarHBondContact CG2-O 3.13Å; E680-V704 WeakPolarHBondContact CA-O 3.42Å; E680-V704 HydrophobicContact CB-CB 4.41Å; E680-V704 HydrophobicContact CG-CB 4.12Å; E680-V704 HydrophobicContact CG-CG2 4.16Å; E680-R1080 VanDerWaalsContact CD-NH2 3.26Å; E680-R1080 IonicContact OE1-NH2 2.75Å; E680-R1080 PolarHBondContact OE1-NH2 2.82Å; E680-R1080 VanDerWaalsContact OE1-NH2 3.1Å; E680-R1080 IonicContact OE2-CZ 2.71Å; E680-R1080 VanDerWaalsContact OE2-CZ 3.29Å; E680-R1080 IonicContact OE2-NE 3.81Å; E680-R1080 PolarHBondContact OE2-NE 3.43Å; E680-R1080 IonicContact OE2-NH2 3.26Å; E680-R1080 PolarHBondContact OE2-NH2 2.89Å
681	L	98.2	Very high	95.7	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.026	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	110.7	177.8	-177.3	57.6	0	0	0	109.8	L656 I678 L683 I696 L702 V704 L705 D706	L656-L681 HydrophobicContact CB-CD1 3.97Å; L656-L681 HydrophobicContact CD2-CD1 3.9Å; L656-L681 HydrophobicContact CG-CD1 4.02Å; L656-L681 WeakPolarHBondContact O-CA 3.37Å; I678-L681 HydrophobicContact CG2-CB 4.01Å; L681-L683 HydrophobicContact CD1-CD1 4.07Å; L681-L683 HydrophobicContact CD1-CD2 4.39Å; L681-L683 HydrophobicContact CD1-CG 4.07Å; L681-L683 HydrophobicContact CD2-CD1 3.92Å; L681-L683 HydrophobicContact CG-CD1 3.78Å; L681-L683 HydrophobicContact CG-CG 4.1Å; L681-I696 HydrophobicContact CD2-CG1 3.94Å; L681-I696 HydrophobicContact CD2-CG2 4.4Å; L681-L702 HydrophobicContact CB-CD1 3.69Å; L681-V704 PolarHBondContact N-O 2.86Å; L681-L705 HydrophobicContact CB-CD1 4.2Å; L681-L705 HydrophobicContact CD2-CD1 4.22Å; L681-L705 HydrophobicContact CG-CD1 4.26Å; L681-L705 WeakPolarHBondContact O-CA 3.3Å; L681-D706 PolarHBondContact O-N 3.14Å
682	C	98.4	Very high	95.9	Very high	8 Å²	8	37.2 Å²	37.2	5%	0.054	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	118.4	-179	-59.5	0	0	0	0	109.9	L656 N657 L658 S659	L656-C682 PolarHBondContact O-N 3.04Å; N657-C682 HydrophobicContact CB-CB 4.12Å; N657-C682 VanDerWaalsContact OD1-CB 3.28Å; N657-C682 WeakPolarHBondContact OD1-CB 3.4Å; N657-C682 PolarHBondContact OD1-O 3.05Å; L658-C682 PolarHBondContact N-O 2.82Å; S659-C682 PolarHBondContact N-O 3.38Å; S659-C682 WeakPolarHBondContact OG-CB 3.36Å; S659-C682 PolarHBondContact OG-O 2.79Å
683	L	98.5	Very high	96.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.			trans	-132.8	17.5	-172.8	-65.8	164.4	0	0	0	111.4	L658 L663 L666 L681 N686 L688 I696 D706 I707 N710	L658-L683 HydrophobicContact CB-CD2 4.04Å; L658-L683 HydrophobicContact CD1-CD2 4.23Å; L663-L683 HydrophobicContact CD1-CD2 4.42Å; L666-L683 HydrophobicContact CD1-CD1 3.98Å; L666-L683 HydrophobicContact CD2-CD2 4.07Å; L681-L683 HydrophobicContact CD1-CD1 4.07Å; L681-L683 HydrophobicContact CD1-CD2 4.39Å; L681-L683 HydrophobicContact CD1-CG 4.07Å; L681-L683 HydrophobicContact CD2-CD1 3.92Å; L681-L683 HydrophobicContact CG-CD1 3.78Å; L681-L683 HydrophobicContact CG-CG 4.1Å; L683-N686 PolarHBondContact O-ND2 3.23Å; L683-L688 HydrophobicContact CB-CD1 3.96Å; L683-L688 HydrophobicContact CD1-CD1 3.93Å; L683-L688 HydrophobicContact CD2-CD1 4.32Å; L683-L688 HydrophobicContact CG-CD1 4.31Å; L683-I696 HydrophobicContact CD1-CD1 3.91Å; L683-I696 HydrophobicContact CD1-CG1 4.44Å; L683-D706 WeakPolarHBondContact CA-O 3.49Å; L683-D706 WeakPolarHBondContact CB-O 3.46Å; L683-D706 PolarHBondContact N-O 3.06Å; L683-I707 HydrophobicContact CB-CG2 4.05Å; L683-I707 HydrophobicContact CD1-CG2 3.86Å; L683-N710 PolarHBondContact O-ND2 2.97Å
684	A	98.1	Very high	96.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.			trans	-58.3	145.8	-174.7	0	0	0	0	0	112.3	S659 H660 N686 D706 S708 I1075 A1078	S659-A684 CarbonylContact C-O 3.38Å; S659-A684 WeakPolarHBondContact CA-O 3.49Å; S659-A684 WeakPolarHBondContact CB-O 3.25Å; S659-A684 PolarHBondContact OG-N 2.95Å; H660-A684 PolarHBondContact N-O 3.1Å; A684-N686 PolarHBondContact O-ND2 2.99Å; A684-D706 WeakPolarHBondContact CB-OD1 3.45Å; A684-S708 CarbonylContact C-O 3.43Å; A684-S708 VanDerWaalsContact CA-O 3.26Å; A684-S708 WeakPolarHBondContact CA-O 3.34Å; A684-S708 WeakPolarHBondContact CB-OG 3.19Å; A684-I1075 HydrophobicContact CB-CD1 4.24Å; A684-A1078 HydrophobicContact CB-CB 3.66Å
685	S	97.4	Very high	96.6	Very high	18 Å²	18	32.6 Å²	32.6	13%	0.126	17%	0.173	C	C	.	.	S	Bend	trans	51.2	67.5	-177.5	-69.5	0	0	0	0	113	H660 N661 S708 Y709 Y1071 I1075	H660-S685 WeakPolarHBondContact CA-O 3.47Å; H660-S685 VanDerWaalsContact CE1-CB 3.41Å; H660-S685 WeakPolarHBondContact CE1-CB 3.49Å; H660-S685 PolarHBondContact CE1-OG 3.47Å; H660-S685 PolarHBondContact N-O 2.67Å; H660-S685 WeakPolarHBondContact ND1-CB 3.34Å; N661-S685 PolarHBondContact N-O 2.78Å; S685-S708 PolarHBondContact N-O 2.86Å; S685-Y709 VanDerWaalsContact CA-O 3.28Å; S685-Y709 WeakPolarHBondContact CA-O 3.3Å; S685-Y1071 WeakPolarHBondContact OG-CE2 3.23Å; S685-Y1071 PolarHBondContact OG-OH 3.3Å; S685-I1075 WeakPolarHBondContact OG-CD1 3.5Å
686	N	98.4	Very high	96.8	Very high	12 Å²	12	29.9 Å²	29.9	6%	0.064	16%	0.159	C	C	.	.	S	Bend	trans	-131.4	-161.1	171.1	-86.9	-80.9	0	0	0	109.1	L658 N661 R662 L663 L683 A684 L688 Y709 N710	L658-N686 PolarHBondContact O-ND2 2.86Å; N661-N686 WeakPolarHBondContact CA-OD1 3.36Å; N661-N686 VanDerWaalsContact CB-OD1 3.29Å; N661-N686 WeakPolarHBondContact CB-OD1 3.46Å; N661-N686 PolarHBondContact O-OD1 2.92Å; R662-N686 PolarHBondContact N-OD1 3.21Å; L663-N686 HydrophobicContact CB-CB 4.39Å; L663-N686 WeakPolarHBondContact CB-OD1 3.42Å; L663-N686 WeakPolarHBondContact CG-OD1 3.4Å; L663-N686 PolarHBondContact N-OD1 2.95Å; L683-N686 PolarHBondContact O-ND2 3.23Å; A684-N686 PolarHBondContact O-ND2 2.99Å; N686-L688 HydrophobicContact CB-CG 4.23Å; N686-Y709 PolarHBondContact N-O 3.37Å; N686-N710 WeakPolarHBondContact CA-OD1 3.22Å; N686-N710 WeakPolarHBondContact CB-OD1 3.42Å; N686-N710 PolarHBondContact O-OD1 2.88Å
687	Q	97.8	Very high	96.9	Very high	69 Å²	69	30 Å²	30	32%	0.322	16%	0.16	S	C	.	.			trans	-118.9	16.8	-177.8	-62.4	-169	60.9	0	0	112.8	L663 A664 N710	L663-Q687 CarbonylContact O-C 3.2Å; L663-Q687 VanDerWaalsContact O-C 3.31Å; L663-Q687 VanDerWaalsContact O-CA 3.29Å; L663-Q687 WeakPolarHBondContact O-CA 3.07Å; L663-Q687 WeakPolarHBondContact O-CB 3.46Å; L663-Q687 PolarHBondContact O-N 3.35Å; A664-Q687 HydrophobicContact CB-CB 4.37Å; Q687-N710 PolarHBondContact N-OD1 3.47Å
688	L	98.2	Very high	97	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.159	C	C	.	.			trans	-64.4	139.4	-171.7	-57.4	174.3	0	0	0	111.9	L663 L666 L683 N686 A692 N710 R711	L663-L688 HydrophobicContact CB-CD2 4.07Å; L663-L688 WeakPolarHBondContact O-CD2 3.44Å; L663-L688 PolarHBondContact O-N 3.17Å; L666-L688 HydrophobicContact CD2-CD2 4.3Å; L666-L688 HydrophobicContact CG-CD2 4.17Å; L683-L688 HydrophobicContact CB-CD1 3.96Å; L683-L688 HydrophobicContact CD1-CD1 3.93Å; L683-L688 HydrophobicContact CD2-CD1 4.32Å; L683-L688 HydrophobicContact CG-CD1 4.31Å; N686-L688 HydrophobicContact CB-CG 4.23Å; L688-A692 HydrophobicContact CB-CB 3.95Å; L688-A692 HydrophobicContact CD1-CB 4.21Å; L688-A692 HydrophobicContact CD2-CB 4.13Å; L688-A692 HydrophobicContact CG-CB 4.33Å; L688-N710 HydrophobicContact CB-CB 4.29Å; L688-N710 VanDerWaalsContact CB-OD1 3.26Å; L688-N710 WeakPolarHBondContact CB-OD1 3.41Å; L688-N710 WeakPolarHBondContact CG-OD1 3.34Å; L688-N710 PolarHBondContact N-OD1 2.88Å; L688-R711 CarbonylContact O-C 3.5Å; L688-R711 WeakPolarHBondContact O-CA 3.33Å; L688-R711 WeakPolarHBondContact O-CB 3.18Å; L688-R711 PolarHBondContact O-N 3.05Å
689	T	96.8	Very high	97	Very high	60 Å²	60	30.3 Å²	30.3	37%	0.368	16%	0.159	S	C	.	.			trans	-108	-175.4	172.5	67.8	0	0	0	0	110.7	S691 A692 R711	T689-S691 PolarHBondContact O-N 3.37Å; T689-S691 PolarHBondContact OG1-OG 3.06Å; T689-A692 WeakPolarHBondContact O-CB 3.41Å; T689-A692 PolarHBondContact O-N 2.92Å; T689-R711 HydrophobicContact CG2-CB 4.15Å
690	N	96.1	Very high	96.8	Very high	42 Å²	42	33.5 Å²	33.5	23%	0.225	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-28	-176.9	-59.3	-7.6	0	0	0	114	A692 L693 I712 T713 S714	N690-A692 PolarHBondContact O-N 3.28Å; N690-L693 WeakPolarHBondContact O-CB 2.98Å; N690-L693 WeakPolarHBondContact O-CG 3.45Å; N690-L693 PolarHBondContact O-N 3.38Å; N690-I712 WeakPolarHBondContact OD1-CA 3.46Å; N690-I712 WeakPolarHBondContact OD1-CG2 3.14Å; N690-T713 PolarHBondContact ND2-OG1 3.39Å; N690-T713 PolarHBondContact OD1-N 3.2Å; N690-T713 PolarHBondContact OD1-OG1 3.24Å; N690-S714 PolarHBondContact ND2-OG 2.75Å; N690-S714 PolarHBondContact OD1-N 3.17Å
691	S	94.7	Very high	96.7	Very high	64 Å²	64	35.5 Å²	35.5	45%	0.448	18%	0.178	S	C	.	.	H	α-helix	trans	-63.2	-21.7	178.2	56.8	0	0	0	0	114	T689 L693	T689-S691 PolarHBondContact O-N 3.37Å; T689-S691 PolarHBondContact OG1-OG 3.06Å; S691-L693 VanDerWaalsContact C-N 3.25Å; S691-L693 PolarHBondContact O-N 2.94Å
692	A	97	Very high	96.7	Very high	2 Å²	2	35.2 Å²	35.2	2%	0.017	18%	0.177	C	C	.	.	H	α-helix	trans	-69.3	-24.6	172.1	0	0	0	0	0	112.4	L666 L688 T689 N690 D694 V695 I696	L666-A692 HydrophobicContact CD1-CB 4.25Å; L666-A692 HydrophobicContact CG-CB 4.39Å; L688-A692 HydrophobicContact CB-CB 3.95Å; L688-A692 HydrophobicContact CD1-CB 4.21Å; L688-A692 HydrophobicContact CD2-CB 4.13Å; L688-A692 HydrophobicContact CG-CB 4.33Å; T689-A692 WeakPolarHBondContact O-CB 3.41Å; T689-A692 PolarHBondContact O-N 2.92Å; N690-A692 PolarHBondContact O-N 3.28Å; A692-D694 VanDerWaalsContact C-N 3.34Å; A692-D694 PolarHBondContact O-N 2.88Å; A692-V695 PolarHBondContact O-N 3.19Å; A692-I696 HydrophobicContact CB-CD1 4.43Å; A692-I696 WeakPolarHBondContact O-CB 3.37Å; A692-I696 WeakPolarHBondContact O-CD1 3.3Å; A692-I696 WeakPolarHBondContact O-CG1 3.43Å; A692-I696 PolarHBondContact O-N 3.31Å
693	L	96.9	Very high	96.5	Very high	8 Å²	8	37.6 Å²	37.6	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-66.8	-36.1	179.7	-60.1	177.4	0	0	0	111.8	N690 S691 V695 I696 A697 I707 I712 S714 I715 F719	N690-L693 WeakPolarHBondContact O-CB 2.98Å; N690-L693 WeakPolarHBondContact O-CG 3.45Å; N690-L693 PolarHBondContact O-N 3.38Å; S691-L693 VanDerWaalsContact C-N 3.25Å; S691-L693 PolarHBondContact O-N 2.94Å; L693-V695 VanDerWaalsContact C-N 3.34Å; L693-V695 PolarHBondContact O-N 3.5Å; L693-I696 PolarHBondContact O-N 2.85Å; L693-A697 VanDerWaalsContact O-CB 3.26Å; L693-A697 WeakPolarHBondContact O-CB 3.41Å; L693-A697 PolarHBondContact O-N 2.98Å; L693-I707 HydrophobicContact CD2-CD1 3.71Å; L693-I712 HydrophobicContact CD1-CG2 4.05Å; L693-I712 HydrophobicContact CD2-CD1 4.2Å; L693-S714 WeakPolarHBondContact CD1-O 3.19Å; L693-I715 HydrophobicContact CD1-CB 4.43Å; L693-I715 HydrophobicContact CD1-CG1 4.02Å; L693-I715 HydrophobicContact CD1-CG2 4.49Å; L693-F719 HydrophobicContact CB-CD2 3.8Å; L693-F719 HydrophobicContact CB-CE2 3.84Å; L693-F719 HydrophobicContact CD2-CD2 4.25Å; L693-F719 HydrophobicContact CD2-CE2 3.75Å; L693-F719 HydrophobicContact CD2-CZ 3.92Å; L693-F719 HydrophobicContact CG-CE2 4.39Å; L693-F719 WeakPolarHBondContact O-CE2 3.44Å
694	D	93.3	Very high	96.4	Very high	107 Å²	107	39 Å²	39	57%	0.572	20%	0.196	S	C	*	.	H	α-helix	trans	-66.6	-37.2	179	-60.7	-51.5	0	0	0	111.8	A692	A692-D694 VanDerWaalsContact C-N 3.34Å; A692-D694 PolarHBondContact O-N 2.88Å
695	V	96.4	Very high	96.4	Very high	18 Å²	18	39.1 Å²	39.1	11%	0.109	20%	0.196	C	C	.	.	H	α-helix	trans	-65	-51	170.2	170.1	0	0	0	0	110.8	L647 L666 P667 A692 L693 A697 R698	L647-V695 HydrophobicContact CD1-CG1 4.33Å; L666-V695 HydrophobicContact CB-CB 4.29Å; L666-V695 HydrophobicContact CB-CG1 3.84Å; L666-V695 HydrophobicContact CB-CG2 4.39Å; L666-V695 HydrophobicContact CD1-CG1 4.08Å; P667-V695 WeakPolarHBondContact O-CG1 3.43Å; A692-V695 PolarHBondContact O-N 3.19Å; L693-V695 VanDerWaalsContact C-N 3.34Å; L693-V695 PolarHBondContact O-N 3.5Å; V695-A697 VanDerWaalsContact C-N 3.29Å; V695-A697 PolarHBondContact O-N 3.2Å; V695-R698 WeakPolarHBondContact O-CB 3.42Å; V695-R698 PolarHBondContact O-N 3.48Å; V695-R698 VanDerWaalsContact O-N 3.15Å
696	I	97.7	Very high	96.4	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-61.4	-37.8	-177	-68.9	162	0	0	0	111.4	L666 L681 L683 A692 L693 R698 Y699 L702 L705 I707 F719	L666-I696 HydrophobicContact CD1-CD1 4.16Å; L666-I696 HydrophobicContact CD1-CG1 3.91Å; L681-I696 HydrophobicContact CD2-CG1 3.94Å; L681-I696 HydrophobicContact CD2-CG2 4.4Å; L683-I696 HydrophobicContact CD1-CD1 3.91Å; L683-I696 HydrophobicContact CD1-CG1 4.44Å; A692-I696 HydrophobicContact CB-CD1 4.43Å; A692-I696 WeakPolarHBondContact O-CB 3.37Å; A692-I696 WeakPolarHBondContact O-CD1 3.3Å; A692-I696 WeakPolarHBondContact O-CG1 3.43Å; A692-I696 PolarHBondContact O-N 3.31Å; L693-I696 PolarHBondContact O-N 2.85Å; I696-R698 PolarHBondContact O-N 3.08Å; I696-Y699 PolarHBondContact O-N 3.14Å; I696-Y699 VanDerWaalsContact O-N 3.07Å; I696-L702 HydrophobicContact CG2-CD2 4.1Å; I696-L705 HydrophobicContact CG2-CD1 4.04Å; I696-L705 HydrophobicContact CG2-CD2 3.78Å; I696-I707 HydrophobicContact CD1-CG2 3.83Å; I696-F719 HydrophobicContact CB-CE2 4.09Å; I696-F719 HydrophobicContact CB-CZ 4.48Å; I696-F719 HydrophobicContact CG2-CE2 3.87Å; I696-F719 HydrophobicContact CG2-CZ 3.83Å
697	A	95.7	Very high	96.4	Very high	7 Å²	7	38 Å²	38	6%	0.058	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-9.6	179.3	0	0	0	0	0	114.7	L693 V695 F719 K722	L693-A697 VanDerWaalsContact O-CB 3.26Å; L693-A697 WeakPolarHBondContact O-CB 3.41Å; L693-A697 PolarHBondContact O-N 2.98Å; V695-A697 VanDerWaalsContact C-N 3.29Å; V695-A697 PolarHBondContact O-N 3.2Å; A697-F719 HydrophobicContact CB-CD2 3.94Å; A697-F719 HydrophobicContact CB-CE2 4.3Å; A697-K722 HydrophobicContact CB-CB 4.36Å; A697-K722 HydrophobicContact CB-CD 3.85Å; A697-K722 WeakPolarHBondContact O-CB 3.33Å
698	R	95.9	Very high	96.4	Very high	75 Å²	75	34.8 Å²	34.8	28%	0.283	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-18.1	173.8	-59.6	-173.5	66	161.3	15.7	112.9	P669 E671 V695 I696 R700	P669-R698 HydrophobicContact CG-CB 3.79Å; P669-R698 VanDerWaalsContact CG-CD 3.5Å; P669-R698 HydrophobicContact CG-CG 4.14Å; E671-R698 IonicContact OE1-CZ 3.77Å; E671-R698 IonicContact OE1-NH1 2.64Å; E671-R698 PolarHBondContact OE1-NH1 3.16Å; E671-R698 IonicContact OE1-NH2 2.76Å; E671-R698 PolarHBondContact OE1-NH2 3.2Å; E671-R698 IonicContact OE2-CZ 3.66Å; E671-R698 IonicContact OE2-NH1 3.91Å; E671-R698 IonicContact OE2-NH2 2.9Å; E671-R698 PolarHBondContact OE2-NH2 2.67Å; V695-R698 WeakPolarHBondContact O-CB 3.42Å; V695-R698 PolarHBondContact O-N 3.48Å; V695-R698 VanDerWaalsContact O-N 3.15Å; I696-R698 PolarHBondContact O-N 3.08Å; R698-R700 VanDerWaalsContact C-N 3.33Å; R698-R700 PolarHBondContact O-N 2.98Å
699	Y	96.5	Very high	96.4	Very high	6 Å²	6	36.5 Å²	36.5	2%	0.024	18%	0.18	C	C	.	.			trans	-83.1	69.1	176.3	-64.5	-76	0	0	0	111.8	P669 N676 I678 I696 H701 L702 L723	P669-Y699 HydrophobicContact CB-CE2 4.18Å; P669-Y699 WeakPolarHBondContact CB-OH 3.39Å; N676-Y699 HydrophobicContact CB-CD1 3.68Å; N676-Y699 HydrophobicContact CB-CE1 3.73Å; I678-Y699 HydrophobicContact CB-CD1 3.68Å; I678-Y699 HydrophobicContact CB-CE1 3.94Å; I678-Y699 HydrophobicContact CB-CG 4.26Å; I678-Y699 HydrophobicContact CD1-CD1 4.17Å; I678-Y699 HydrophobicContact CD1-CE1 3.55Å; I678-Y699 HydrophobicContact CD1-CE2 4.29Å; I678-Y699 HydrophobicContact CG1-CD1 3.91Å; I678-Y699 HydrophobicContact CG1-CE1 3.6Å; I696-Y699 PolarHBondContact O-N 3.14Å; I696-Y699 VanDerWaalsContact O-N 3.07Å; Y699-H701 PolarHBondContact O-N 2.93Å; Y699-L702 WeakPolarHBondContact O-CB 3.43Å; Y699-L702 PolarHBondContact O-N 3.02Å; Y699-L723 VanDerWaalsContact O-CD2 3.29Å; Y699-L723 WeakPolarHBondContact O-CD2 3.47Å
700	R	94.2	Very high	96.5	Very high	148 Å²	148	34.1 Å²	34.1	56%	0.558	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-16.8	-175.7	-63.3	-179.5	178.8	162.4	-1.9	115.4	R698	R698-R700 VanDerWaalsContact C-N 3.33Å; R698-R700 PolarHBondContact O-N 2.98Å
701	H	94.5	Very high	96.5	Very high	94 Å²	94	38 Å²	38	44%	0.435	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	6.9	178	-64.3	-53.6	0	0	0	114.6	Y699 Q703	Y699-H701 PolarHBondContact O-N 2.93Å; H701-Q703 WeakPolarHBondContact O-CG 3.45Å
702	L	97.4	Very high	96.7	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.156	C	C	.	.			trans	-61.1	135.9	-179.2	-164.5	69.2	0	0	0	111.9	I678 K679 L681 I696 Y699 L705 L723 M725 L726	I678-L702 HydrophobicContact CG2-CD1 4.04Å; K679-L702 WeakPolarHBondContact O-CD1 3.33Å; L681-L702 HydrophobicContact CB-CD1 3.69Å; I696-L702 HydrophobicContact CG2-CD2 4.1Å; Y699-L702 WeakPolarHBondContact O-CB 3.43Å; Y699-L702 PolarHBondContact O-N 3.02Å; L702-L705 HydrophobicContact CD2-CB 3.82Å; L702-L705 HydrophobicContact CD2-CD1 4.06Å; L702-L705 HydrophobicContact CD2-CD2 4.05Å; L702-L705 HydrophobicContact CD2-CG 4.19Å; L702-L705 HydrophobicContact CG-CB 4.49Å; L702-L723 HydrophobicContact CB-CD2 4.23Å; L702-L723 HydrophobicContact CD2-CD1 4.44Å; L702-L723 HydrophobicContact CD2-CD2 4.45Å; L702-M725 CarbonylContact O-C 3.2Å; L702-M725 WeakPolarHBondContact O-CB 3.29Å; L702-L726 HydrophobicContact CD2-CD1 4.45Å; L702-L726 HydrophobicContact CG-CD1 4.33Å; L702-L726 WeakPolarHBondContact O-CA 3.47Å; L702-L726 PolarHBondContact O-N 3.21Å
703	Q	95.6	Very high	96.7	Very high	58 Å²	58	37.9 Å²	37.9	27%	0.271	17%	0.173	S	C	.	.			trans	-118.7	-37.2	-174.9	-57.2	-171	-51	0	0	111.7	K679 H701 Q727 E728	K679-Q703 HydrophobicContact CB-CG 4.28Å; K679-Q703 HydrophobicContact CG-CG 4.45Å; K679-Q703 WeakPolarHBondContact O-CA 3.5Å; K679-Q703 PolarHBondContact O-N 3.25Å; H701-Q703 WeakPolarHBondContact O-CG 3.45Å; Q703-Q727 WeakPolarHBondContact O-CA 3.25Å; Q703-Q727 WeakPolarHBondContact O-CB 3.4Å; Q703-Q727 PolarHBondContact O-N 3.14Å; Q703-E728 PolarHBondContact O-N 3.25Å
704	V	95.4	Very high	96.6	Very high	30 Å²	30	40.5 Å²	40.5	18%	0.182	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	126.9	175.1	-176.7	0	0	0	0	108.8	K679 E680 L681 E728	K679-V704 PolarHBondContact O-N 2.94Å; E680-V704 WeakPolarHBondContact CA-O 3.42Å; E680-V704 HydrophobicContact CB-CB 4.41Å; E680-V704 HydrophobicContact CG-CB 4.12Å; E680-V704 HydrophobicContact CG-CG2 4.16Å; L681-V704 PolarHBondContact N-O 2.86Å; V704-E728 WeakPolarHBondContact CA-O 3.4Å; V704-E728 HydrophobicContact CG1-CB 4.19Å; V704-E728 HydrophobicContact CG1-CG 4.26Å; V704-E728 HydrophobicContact CG2-CB 4.3Å
705	L	98	Very high	96.7	Very high	1 Å²	1	36 Å²	36	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	116.6	175.7	178.1	56.3	0	0	0	110.6	L681 I696 L702 I707 F719 L723 L726 E728 I729 N730	L681-L705 HydrophobicContact CB-CD1 4.2Å; L681-L705 HydrophobicContact CD2-CD1 4.22Å; L681-L705 HydrophobicContact CG-CD1 4.26Å; L681-L705 WeakPolarHBondContact O-CA 3.3Å; I696-L705 HydrophobicContact CG2-CD1 4.04Å; I696-L705 HydrophobicContact CG2-CD2 3.78Å; L702-L705 HydrophobicContact CD2-CB 3.82Å; L702-L705 HydrophobicContact CD2-CD1 4.06Å; L702-L705 HydrophobicContact CD2-CD2 4.05Å; L702-L705 HydrophobicContact CD2-CG 4.19Å; L702-L705 HydrophobicContact CG-CB 4.49Å; L705-I707 HydrophobicContact CD1-CG2 3.69Å; L705-I707 HydrophobicContact CD2-CD1 4.25Å; L705-I707 HydrophobicContact CG-CG1 4.49Å; L705-I707 HydrophobicContact CG-CG2 4.3Å; L705-F719 HydrophobicContact CD2-CE1 4.14Å; L705-F719 HydrophobicContact CD2-CZ 3.71Å; L705-L723 HydrophobicContact CD2-CD1 4.45Å; L705-L726 HydrophobicContact CB-CD1 3.97Å; L705-E728 PolarHBondContact N-O 3.44Å; L705-I729 HydrophobicContact CB-CG1 4.29Å; L705-I729 HydrophobicContact CD2-CD1 4.1Å; L705-I729 HydrophobicContact CD2-CG1 4.39Å; L705-I729 HydrophobicContact CG-CG1 4.42Å; L705-I729 CarbonylContact O-C 3.18Å; L705-I729 WeakPolarHBondContact O-CA 3.2Å; L705-N730 PolarHBondContact O-N 2.58Å
706	D	98	Very high	96.5	Very high	8 Å²	8	37.9 Å²	37.9	4%	0.043	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	114.3	167.1	-161	-40.1	0	0	0	110.1	L681 L683 A684 S708 N730	L681-D706 PolarHBondContact O-N 3.14Å; L683-D706 WeakPolarHBondContact CA-O 3.49Å; L683-D706 WeakPolarHBondContact CB-O 3.46Å; L683-D706 PolarHBondContact N-O 3.06Å; A684-D706 WeakPolarHBondContact CB-OD1 3.45Å; D706-S708 WeakPolarHBondContact OD1-CB 3.26Å; D706-S708 PolarHBondContact OD1-N 3.07Å; D706-S708 PolarHBondContact OD1-OG 2.84Å; D706-N730 HydrophobicContact CB-CB 4.21Å; D706-N730 WeakPolarHBondContact OD2-CB 3.42Å; D706-N730 PolarHBondContact OD2-ND2 2.95Å
707	I	98.2	Very high	96.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.202	C	C	.	.			trans	-125.8	28	172.5	55.4	-177.8	0	0	0	110.5	L683 L693 I696 L705 N710 I712 N730 I731 N734	L683-I707 HydrophobicContact CB-CG2 4.05Å; L683-I707 HydrophobicContact CD1-CG2 3.86Å; L693-I707 HydrophobicContact CD2-CD1 3.71Å; I696-I707 HydrophobicContact CD1-CG2 3.83Å; L705-I707 HydrophobicContact CD1-CG2 3.69Å; L705-I707 HydrophobicContact CD2-CD1 4.25Å; L705-I707 HydrophobicContact CG-CG1 4.49Å; L705-I707 HydrophobicContact CG-CG2 4.3Å; I707-N710 PolarHBondContact O-ND2 2.88Å; I707-I712 HydrophobicContact CB-CD1 4.07Å; I707-I712 HydrophobicContact CD1-CD1 3.56Å; I707-I712 HydrophobicContact CG1-CD1 3.93Å; I707-N730 PolarHBondContact N-O 3.41Å; I707-I731 HydrophobicContact CD1-CG2 3.91Å; I707-I731 HydrophobicContact CG1-CG2 3.76Å; I707-N734 PolarHBondContact O-ND2 3.18Å
708	S	98.1	Very high	96.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.223	C	C	.	.			trans	-63.6	154.9	177.9	62.5	0	0	0	0	112.5	A684 S685 D706 N710 N730 S732	A684-S708 CarbonylContact C-O 3.43Å; A684-S708 VanDerWaalsContact CA-O 3.26Å; A684-S708 WeakPolarHBondContact CA-O 3.34Å; A684-S708 WeakPolarHBondContact CB-OG 3.19Å; S685-S708 PolarHBondContact N-O 2.86Å; D706-S708 WeakPolarHBondContact OD1-CB 3.26Å; D706-S708 PolarHBondContact OD1-N 3.07Å; D706-S708 PolarHBondContact OD1-OG 2.84Å; S708-N710 PolarHBondContact O-N 2.86Å; S708-N710 PolarHBondContact O-ND2 2.86Å; S708-N730 PolarHBondContact N-O 3.49Å; S708-S732 CarbonylContact C-O 3.58Å; S708-S732 WeakPolarHBondContact CA-O 3.33Å; S708-S732 WeakPolarHBondContact CB-O 3.31Å
709	Y	97.7	Very high	96.1	Very high	37 Å²	37	42.9 Å²	42.9	15%	0.145	21%	0.21	C	C	.	.	S	Bend	trans	52.2	53.2	178.3	-49.1	-74.9	0	0	0	113.3	S685 N686 S732 G733 H755 Y1071 D1074 I1075	S685-Y709 VanDerWaalsContact CA-O 3.28Å; S685-Y709 WeakPolarHBondContact CA-O 3.3Å; N686-Y709 PolarHBondContact N-O 3.37Å; Y709-S732 PolarHBondContact N-O 2.7Å; Y709-G733 WeakPolarHBondContact CA-O 3.44Å; Y709-H755 PolarHBondContact OH-CE1 3.02Å; Y709-Y1071 AromaticContact CD1-CD2 3.59Å; Y709-Y1071 HydrophobicContact CD1-CD2 3.59Å; Y709-Y1071 AromaticContact CD1-CE2 3.86Å; Y709-Y1071 HydrophobicContact CD1-CE2 3.86Å; Y709-Y1071 AromaticContact CD2-CD2 3.87Å; Y709-Y1071 HydrophobicContact CD2-CD2 3.87Å; Y709-Y1071 AromaticContact CD2-CE2 3.9Å; Y709-Y1071 HydrophobicContact CD2-CE2 3.9Å; Y709-Y1071 AromaticContact CE1-CD2 3.54Å; Y709-Y1071 HydrophobicContact CE1-CD2 3.54Å; Y709-Y1071 HydrophobicContact CE1-CE2 4.27Å; Y709-Y1071 AromaticContact CE2-CD2 3.83Å; Y709-Y1071 HydrophobicContact CE2-CD2 3.83Å; Y709-Y1071 HydrophobicContact CE2-CE2 4.32Å; Y709-Y1071 AromaticContact CG-CD2 3.77Å; Y709-Y1071 HydrophobicContact CG-CD2 3.77Å; Y709-Y1071 AromaticContact CG-CE2 3.66Å; Y709-Y1071 HydrophobicContact CG-CE2 3.66Å; Y709-Y1071 AromaticContact CZ-CD2 3.68Å; Y709-D1074 HydrophobicContact CE2-CB 3.66Å; Y709-D1074 VanDerWaalsContact CE2-OD2 3.27Å; Y709-D1074 WeakPolarHBondContact CE2-OD2 3.24Å; Y709-D1074 PolarHBondContact OH-OD2 3.06Å; Y709-I1075 HydrophobicContact CD2-CD1 4.19Å
710	N	98.4	Very high	95.9	Very high	10 Å²	10	42.6 Å²	42.6	5%	0.053	21%	0.209	C	C	.	.	S	Bend	trans	-121.5	-162.5	173.7	-84.2	-82	0	0	0	109.3	L683 N686 Q687 L688 I707 S708 I712 N734	L683-N710 PolarHBondContact O-ND2 2.97Å; N686-N710 WeakPolarHBondContact CA-OD1 3.22Å; N686-N710 WeakPolarHBondContact CB-OD1 3.42Å; N686-N710 PolarHBondContact O-OD1 2.88Å; Q687-N710 PolarHBondContact N-OD1 3.47Å; L688-N710 HydrophobicContact CB-CB 4.29Å; L688-N710 VanDerWaalsContact CB-OD1 3.26Å; L688-N710 WeakPolarHBondContact CB-OD1 3.41Å; L688-N710 WeakPolarHBondContact CG-OD1 3.34Å; L688-N710 PolarHBondContact N-OD1 2.88Å; I707-N710 PolarHBondContact O-ND2 2.88Å; S708-N710 PolarHBondContact O-N 2.86Å; S708-N710 PolarHBondContact O-ND2 2.86Å; N710-I712 HydrophobicContact CB-CD1 4.38Å; N710-I712 HydrophobicContact CB-CG1 4.3Å; N710-N734 WeakPolarHBondContact CA-OD1 3.43Å; N710-N734 WeakPolarHBondContact CB-OD1 3.37Å; N710-N734 PolarHBondContact N-OD1 2.89Å; N710-N734 PolarHBondContact O-OD1 3.12Å
711	R	97.6	Very high	95.8	Very high	123 Å²	123	40.6 Å²	40.6	46%	0.464	21%	0.206	S	C	.	.			trans	-115.5	37.3	-178.6	-61.1	-179	-179	142.5	5	111.8	L688 T689	L688-R711 CarbonylContact O-C 3.5Å; L688-R711 WeakPolarHBondContact O-CA 3.33Å; L688-R711 WeakPolarHBondContact O-CB 3.18Å; L688-R711 PolarHBondContact O-N 3.05Å; T689-R711 HydrophobicContact CG2-CB 4.15Å
712	I	97.9	Very high	95.8	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	20%	0.201	C	C	.	.			trans	-80.6	129.5	-180	-57	169.3	0	0	0	109	N690 L693 I707 N710 I715 N734 Q735 I736	N690-I712 WeakPolarHBondContact OD1-CA 3.46Å; N690-I712 WeakPolarHBondContact OD1-CG2 3.14Å; L693-I712 HydrophobicContact CD1-CG2 4.05Å; L693-I712 HydrophobicContact CD2-CD1 4.2Å; I707-I712 HydrophobicContact CB-CD1 4.07Å; I707-I712 HydrophobicContact CD1-CD1 3.56Å; I707-I712 HydrophobicContact CG1-CD1 3.93Å; N710-I712 HydrophobicContact CB-CD1 4.38Å; N710-I712 HydrophobicContact CB-CG1 4.3Å; I712-I715 HydrophobicContact CG2-CG1 4.22Å; I712-N734 HydrophobicContact CB-CB 4.23Å; I712-N734 WeakPolarHBondContact CB-OD1 3.45Å; I712-N734 PolarHBondContact N-OD1 3.17Å; I712-N734 VanDerWaalsContact N-OD1 3.08Å; I712-Q735 CarbonylContact O-C 3.58Å; I712-Q735 WeakPolarHBondContact O-CA 3.48Å; I712-Q735 PolarHBondContact O-N 3.41Å; I712-I736 HydrophobicContact CG2-CD1 4.15Å; I712-I736 HydrophobicContact CG2-CG1 4.18Å
713	T	96.9	Very high	95.7	Very high	62 Å²	62	39.8 Å²	39.8	38%	0.38	20%	0.201	S	C	.	.			trans	-111.2	-18.2	-177.7	61.8	0	0	0	0	113.2	N690 Q735 P737	N690-T713 PolarHBondContact ND2-OG1 3.39Å; N690-T713 PolarHBondContact OD1-N 3.2Å; N690-T713 PolarHBondContact OD1-OG1 3.24Å; T713-Q735 HydrophobicContact CG2-CB 4.21Å; T713-P737 WeakPolarHBondContact O-CD 3.34Å
714	S	95.1	Very high	95.6	Very high	63 Å²	63	40.7 Å²	40.7	44%	0.441	21%	0.205	S	C	.	.			trans	-159.1	146.5	178.2	61.7	0	0	0	0	111.8	N690 L693	N690-S714 PolarHBondContact ND2-OG 2.75Å; N690-S714 PolarHBondContact OD1-N 3.17Å; L693-S714 WeakPolarHBondContact CD1-O 3.19Å
715	I	95.3	Very high	95.5	Very high	14 Å²	14	42.5 Å²	42.5	7%	0.072	21%	0.212	C	C	.	.			trans	-119.2	129.6	171.3	-55.4	177.9	0	0	0	108.8	L693 I712 F719 F720 I731 I736 P740	L693-I715 HydrophobicContact CD1-CB 4.43Å; L693-I715 HydrophobicContact CD1-CG1 4.02Å; L693-I715 HydrophobicContact CD1-CG2 4.49Å; I712-I715 HydrophobicContact CG2-CG1 4.22Å; I715-F719 HydrophobicContact CG2-CB 3.76Å; I715-F719 HydrophobicContact CG2-CD1 3.51Å; I715-F719 HydrophobicContact CG2-CE1 4.33Å; I715-F719 HydrophobicContact CG2-CG 3.77Å; I715-F720 HydrophobicContact CB-CE2 4.4Å; I715-F720 HydrophobicContact CD1-CZ 4.4Å; I715-F720 HydrophobicContact CG2-CD2 4.15Å; I715-F720 HydrophobicContact CG2-CE2 3.54Å; I715-F720 HydrophobicContact CG2-CZ 4.08Å; I715-I731 HydrophobicContact CD1-CB 4.46Å; I715-I731 HydrophobicContact CD1-CD1 3.89Å; I715-I731 HydrophobicContact CD1-CG2 3.83Å; I715-I736 HydrophobicContact CD1-CD1 3.71Å; I715-I736 HydrophobicContact CG1-CD1 4.01Å; I715-P740 HydrophobicContact CB-CG 4.48Å; I715-P740 HydrophobicContact CG2-CG 4.38Å
716	S	93.5	Very high	95.3	Very high	57 Å²	57	42.4 Å²	42.4	40%	0.399	21%	0.212	S	C	.	.			trans	-79.3	158.9	-177.7	67.6	0	0	0	0	112.7	E718 F719	S716-E718 PolarHBondContact O-N 3.39Å; S716-F719 WeakPolarHBondContact O-CB 3.43Å; S716-F719 PolarHBondContact O-N 3.16Å; S716-F719 PolarHBondContact OG-N 3.37Å
717	N	92.1	Very high	95	Very high	77 Å²	77	45.1 Å²	45.1	41%	0.412	23%	0.225	S	C	.	.	H	α-helix	trans	-59.5	-36.7	173	-79.7	-39.7	0	0	0	112.1	F719 Q721 P740 S741 T742	N717-F719 VanDerWaalsContact C-N 3.29Å; N717-F719 PolarHBondContact O-N 3.23Å; N717-Q721 WeakPolarHBondContact O-CG 3.42Å; N717-Q721 PolarHBondContact O-N 2.74Å; N717-P740 WeakPolarHBondContact OD1-CB 3.42Å; N717-S741 PolarHBondContact OD1-N 2.65Å; N717-T742 VanDerWaalsContact CA-OG1 3.3Å; N717-T742 WeakPolarHBondContact CA-OG1 3.35Å; N717-T742 HydrophobicContact CB-CG2 3.82Å; N717-T742 WeakPolarHBondContact O-CB 3.14Å; N717-T742 PolarHBondContact O-OG1 2.95Å
718	E	92.9	Very high	94.7	Very high	107 Å²	107	46.6 Å²	46.6	50%	0.5	23%	0.231	S	C	.	.	H	α-helix	trans	-63.3	-31.9	179.7	-67.9	-175.2	-144.9	0	0	113.7	S716 F720 Q721 K722	S716-E718 PolarHBondContact O-N 3.39Å; E718-F720 PolarHBondContact O-N 2.72Å; E718-Q721 PolarHBondContact O-N 3.33Å; E718-K722 WeakPolarHBondContact O-CD 3.47Å; E718-K722 VanDerWaalsContact O-CG 3.32Å; E718-K722 WeakPolarHBondContact O-CG 3.26Å; E718-K722 PolarHBondContact O-N 3.48Å; E718-K722 VanDerWaalsContact O-N 3.09Å; E718-K722 IonicContact OE2-NZ 2.67Å; E718-K722 PolarHBondContact OE2-NZ 3.48Å
719	F	95.6	Very high	94.5	Very high	3 Å²	3	46.6 Å²	46.6	1%	0.013	23%	0.231	C	C	.	.	H	α-helix	trans	-56.5	-52.3	-178.3	-178	-99.8	0	0	0	110.9	L693 I696 A697 L705 I715 S716 N717 K722 L723 I729	L693-F719 HydrophobicContact CB-CD2 3.8Å; L693-F719 HydrophobicContact CB-CE2 3.84Å; L693-F719 HydrophobicContact CD2-CD2 4.25Å; L693-F719 HydrophobicContact CD2-CE2 3.75Å; L693-F719 HydrophobicContact CD2-CZ 3.92Å; L693-F719 HydrophobicContact CG-CE2 4.39Å; L693-F719 WeakPolarHBondContact O-CE2 3.44Å; I696-F719 HydrophobicContact CB-CE2 4.09Å; I696-F719 HydrophobicContact CB-CZ 4.48Å; I696-F719 HydrophobicContact CG2-CE2 3.87Å; I696-F719 HydrophobicContact CG2-CZ 3.83Å; A697-F719 HydrophobicContact CB-CD2 3.94Å; A697-F719 HydrophobicContact CB-CE2 4.3Å; L705-F719 HydrophobicContact CD2-CE1 4.14Å; L705-F719 HydrophobicContact CD2-CZ 3.71Å; I715-F719 HydrophobicContact CG2-CB 3.76Å; I715-F719 HydrophobicContact CG2-CD1 3.51Å; I715-F719 HydrophobicContact CG2-CE1 4.33Å; I715-F719 HydrophobicContact CG2-CG 3.77Å; S716-F719 WeakPolarHBondContact O-CB 3.43Å; S716-F719 PolarHBondContact O-N 3.16Å; S716-F719 PolarHBondContact OG-N 3.37Å; N717-F719 VanDerWaalsContact C-N 3.29Å; N717-F719 PolarHBondContact O-N 3.23Å; F719-K722 PolarHBondContact O-N 2.6Å; F719-L723 HydrophobicContact CD1-CD1 4.2Å; F719-L723 HydrophobicContact CE1-CD1 3.66Å; F719-L723 HydrophobicContact CE2-CD1 4.1Å; F719-L723 HydrophobicContact CZ-CD1 3.59Å; F719-L723 WeakPolarHBondContact O-CG 3.42Å; F719-I729 HydrophobicContact CE1-CD1 4.45Å
720	F	91.9	Very high	94.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-74.1	-28.9	177.7	-65.3	-64.8	0	0	0	113.4	I715 E718 K722 L723 Q724 L726 I729 P740 L743 L746	I715-F720 HydrophobicContact CB-CE2 4.4Å; I715-F720 HydrophobicContact CD1-CZ 4.4Å; I715-F720 HydrophobicContact CG2-CD2 4.15Å; I715-F720 HydrophobicContact CG2-CE2 3.54Å; I715-F720 HydrophobicContact CG2-CZ 4.08Å; E718-F720 PolarHBondContact O-N 2.72Å; F720-K722 PolarHBondContact O-N 2.98Å; F720-L723 PolarHBondContact O-N 2.98Å; F720-Q724 PolarHBondContact O-NE2 3.3Å; F720-L726 HydrophobicContact CD1-CD2 4.43Å; F720-L726 HydrophobicContact CE1-CD2 4.33Å; F720-I729 HydrophobicContact CE1-CD1 3.58Å; F720-I729 HydrophobicContact CZ-CD1 3.9Å; F720-P740 HydrophobicContact CD2-CG 3.51Å; F720-P740 HydrophobicContact CE2-CG 3.46Å; F720-P740 VanDerWaalsContact CE2-CG 3.46Å; F720-L743 HydrophobicContact CD1-CD1 4.09Å; F720-L743 HydrophobicContact CD2-CB 4.17Å; F720-L743 HydrophobicContact CD2-CD1 4.5Å; F720-L743 HydrophobicContact CE1-CD1 3.74Å; F720-L743 HydrophobicContact CE2-CB 4.28Å; F720-L743 HydrophobicContact CE2-CD1 4.18Å; F720-L743 HydrophobicContact CG-CD1 4.44Å; F720-L743 HydrophobicContact CZ-CD1 3.79Å; F720-L746 HydrophobicContact CB-CD2 4.34Å; F720-L746 HydrophobicContact CD1-CD1 3.82Å; F720-L746 HydrophobicContact CE1-CD1 4.44Å; F720-L746 WeakPolarHBondContact O-CD2 3.34Å
721	Q	92.3	Very high	94.4	Very high	106 Å²	106	44.5 Å²	44.5	50%	0.495	22%	0.223	S	C	.	.	H	α-helix	trans	-58.9	-34.1	172	-74.6	174.5	-17.9	0	0	112.3	N717 E718 Q724 T742	N717-Q721 WeakPolarHBondContact O-CG 3.42Å; N717-Q721 PolarHBondContact O-N 2.74Å; E718-Q721 PolarHBondContact O-N 3.33Å; Q721-Q724 PolarHBondContact O-NE2 2.73Å; Q721-T742 HydrophobicContact CG-CG2 3.84Å
722	K	94.2	Very high	94.4	Very high	78 Å²	78	38.7 Å²	38.7	34%	0.339	20%	0.201	S	C	.	.	H	α-helix	trans	-80.3	-19.7	-179.3	-66.7	160.2	-171.1	167.9	0	113.6	A697 E718 F719 F720	A697-K722 HydrophobicContact CB-CB 4.36Å; A697-K722 HydrophobicContact CB-CD 3.85Å; A697-K722 WeakPolarHBondContact O-CB 3.33Å; E718-K722 WeakPolarHBondContact O-CD 3.47Å; E718-K722 VanDerWaalsContact O-CG 3.32Å; E718-K722 WeakPolarHBondContact O-CG 3.26Å; E718-K722 PolarHBondContact O-N 3.48Å; E718-K722 VanDerWaalsContact O-N 3.09Å; E718-K722 IonicContact OE2-NZ 2.67Å; E718-K722 PolarHBondContact OE2-NZ 3.48Å; F719-K722 PolarHBondContact O-N 2.6Å; F720-K722 PolarHBondContact O-N 2.98Å
723	L	95.2	Very high	94.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.21	C	C	.	.			trans	-108.2	49.9	-171	-61.1	-179.2	0	0	0	113.9	Y699 L702 L705 F719 F720 M725 L726	Y699-L723 VanDerWaalsContact O-CD2 3.29Å; Y699-L723 WeakPolarHBondContact O-CD2 3.47Å; L702-L723 HydrophobicContact CB-CD2 4.23Å; L702-L723 HydrophobicContact CD2-CD1 4.44Å; L702-L723 HydrophobicContact CD2-CD2 4.45Å; L705-L723 HydrophobicContact CD2-CD1 4.45Å; F719-L723 HydrophobicContact CD1-CD1 4.2Å; F719-L723 HydrophobicContact CE1-CD1 3.66Å; F719-L723 HydrophobicContact CE2-CD1 4.1Å; F719-L723 HydrophobicContact CZ-CD1 3.59Å; F719-L723 WeakPolarHBondContact O-CG 3.42Å; F720-L723 PolarHBondContact O-N 2.98Å; L723-M725 PolarHBondContact O-N 2.82Å; L723-L726 HydrophobicContact CB-CB 4.43Å; L723-L726 HydrophobicContact CB-CD2 4.47Å; L723-L726 VanDerWaalsContact O-CB 3.24Å; L723-L726 WeakPolarHBondContact O-CB 3.3Å; L723-L726 PolarHBondContact O-N 3.04Å
724	Q	92.5	Very high	94.4	Very high	77 Å²	77	36.9 Å²	36.9	36%	0.36	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-14.2	-174.2	-63.1	-59.2	-35.2	0	0	115.8	F720 Q721	F720-Q724 PolarHBondContact O-NE2 3.3Å; Q721-Q724 PolarHBondContact O-NE2 2.73Å
725	M	94	Very high	94.5	Very high	67 Å²	67	39.3 Å²	39.3	33%	0.33	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-2.3	179.4	-66.4	-56.7	-54.7	0	0	114.4	L702 L723 L748	L702-M725 CarbonylContact O-C 3.2Å; L702-M725 WeakPolarHBondContact O-CB 3.29Å; L723-M725 PolarHBondContact O-N 2.82Å; M725-L748 HydrophobicContact CE-CD1 3.77Å; M725-L748 HydrophobicContact SD-CD1 4.32Å
726	L	94.1	Very high	94.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.194	C	C	.	.			trans	-70.6	131.6	-168.5	-164.3	66.7	0	0	0	112.4	L702 L705 F720 L723 I729 L746 L748 L749	L702-L726 HydrophobicContact CD2-CD1 4.45Å; L702-L726 HydrophobicContact CG-CD1 4.33Å; L702-L726 WeakPolarHBondContact O-CA 3.47Å; L702-L726 PolarHBondContact O-N 3.21Å; L705-L726 HydrophobicContact CB-CD1 3.97Å; F720-L726 HydrophobicContact CD1-CD2 4.43Å; F720-L726 HydrophobicContact CE1-CD2 4.33Å; L723-L726 HydrophobicContact CB-CB 4.43Å; L723-L726 HydrophobicContact CB-CD2 4.47Å; L723-L726 VanDerWaalsContact O-CB 3.24Å; L723-L726 WeakPolarHBondContact O-CB 3.3Å; L723-L726 PolarHBondContact O-N 3.04Å; L726-I729 HydrophobicContact CD2-CB 4.05Å; L726-I729 HydrophobicContact CD2-CD1 4.17Å; L726-L746 HydrophobicContact CD2-CD1 4.19Å; L726-L748 CarbonylContact O-C 3.57Å; L726-L748 VanDerWaalsContact O-C 3.31Å; L726-L749 WeakPolarHBondContact O-CA 3.36Å; L726-L749 PolarHBondContact O-N 3.34Å
727	Q	91.4	Very high	94.6	Very high	65 Å²	65	38.5 Å²	38.5	30%	0.304	19%	0.192	S	C	.	.			trans	-115.2	-46.2	-177.5	-70.3	160.3	53.1	0	0	111.3	Q703 L748 L749 T750 T751	Q703-Q727 WeakPolarHBondContact O-CA 3.25Å; Q703-Q727 WeakPolarHBondContact O-CB 3.4Å; Q703-Q727 PolarHBondContact O-N 3.14Å; Q727-L748 WeakPolarHBondContact CA-O 3.29Å; Q727-L748 HydrophobicContact CG-CB 3.92Å; Q727-L748 WeakPolarHBondContact CG-O 3.43Å; Q727-L749 CarbonylContact O-C 3.43Å; Q727-T750 PolarHBondContact O-N 2.83Å; Q727-T750 PolarHBondContact O-OG1 3.18Å; Q727-T750 VanDerWaalsContact O-OG1 3.12Å; Q727-T751 PolarHBondContact O-N 2.8Å
728	E	91.9	Very high	94.6	Very high	30 Å²	30	38.3 Å²	38.3	14%	0.14	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.7	177.7	178	170.2	-173.4	0	0	109.9	Q703 V704 L705 T751 R1077	Q703-E728 PolarHBondContact O-N 3.25Å; V704-E728 WeakPolarHBondContact CA-O 3.4Å; V704-E728 HydrophobicContact CG1-CB 4.19Å; V704-E728 HydrophobicContact CG1-CG 4.26Å; V704-E728 HydrophobicContact CG2-CB 4.3Å; L705-E728 PolarHBondContact N-O 3.44Å; E728-T751 WeakPolarHBondContact CA-O 3.5Å; E728-T751 HydrophobicContact CG-CG2 3.92Å; E728-R1077 VanDerWaalsContact CD-NH2 3.27Å; E728-R1077 IonicContact OE1-CZ 3.2Å; E728-R1077 IonicContact OE1-NE 3.69Å; E728-R1077 IonicContact OE1-NH2 3.14Å; E728-R1077 PolarHBondContact OE1-NH2 3.48Å; E728-R1077 IonicContact OE2-NH2 2.83Å; E728-R1077 PolarHBondContact OE2-NH2 2.88Å; E728-R1077 VanDerWaalsContact OE2-NH2 3.08Å
729	I	95.1	Very high	94.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	134.2	168.2	-168.4	173.1	0	0	0	112	L705 F719 F720 L726 I731 L749 T751 L752 R753	L705-I729 HydrophobicContact CB-CG1 4.29Å; L705-I729 HydrophobicContact CD2-CD1 4.1Å; L705-I729 HydrophobicContact CD2-CG1 4.39Å; L705-I729 HydrophobicContact CG-CG1 4.42Å; L705-I729 CarbonylContact O-C 3.18Å; L705-I729 WeakPolarHBondContact O-CA 3.2Å; F719-I729 HydrophobicContact CE1-CD1 4.45Å; F720-I729 HydrophobicContact CE1-CD1 3.58Å; F720-I729 HydrophobicContact CZ-CD1 3.9Å; L726-I729 HydrophobicContact CD2-CB 4.05Å; L726-I729 HydrophobicContact CD2-CD1 4.17Å; I729-I731 HydrophobicContact CD1-CG2 3.79Å; I729-I731 HydrophobicContact CG1-CG2 3.98Å; I729-L749 HydrophobicContact CG2-CD1 4.04Å; I729-T751 PolarHBondContact N-O 3.13Å; I729-L752 HydrophobicContact CG2-CD1 3.72Å; I729-R753 PolarHBondContact O-N 2.76Å
730	N	96.1	Very high	94.2	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	115.2	169.4	-165.2	7	0	0	0	110.7	L705 D706 I707 S708 S732 R753 D1074	L705-N730 PolarHBondContact O-N 2.58Å; D706-N730 HydrophobicContact CB-CB 4.21Å; D706-N730 WeakPolarHBondContact OD2-CB 3.42Å; D706-N730 PolarHBondContact OD2-ND2 2.95Å; I707-N730 PolarHBondContact N-O 3.41Å; S708-N730 PolarHBondContact N-O 3.49Å; N730-S732 VanDerWaalsContact OD1-CB 3.22Å; N730-S732 WeakPolarHBondContact OD1-CB 3.48Å; N730-S732 PolarHBondContact OD1-N 3.28Å; N730-S732 PolarHBondContact OD1-OG 3.05Å; N730-R753 WeakPolarHBondContact CA-O 3.16Å; N730-R753 HydrophobicContact CB-CB 4.13Å; N730-R753 VanDerWaalsContact OD1-CB 3.24Å; N730-R753 WeakPolarHBondContact OD1-CB 3.35Å; N730-R753 PolarHBondContact OD1-O 2.91Å; N730-D1074 PolarHBondContact ND2-OD1 2.87Å
731	I	97.5	Very high	93.9	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.201	C	C	.	.			trans	-119.7	13.9	175	55.3	173.9	0	0	0	111.1	I707 I715 I729 N734 I736 L739 R753 A754 N757	I707-I731 HydrophobicContact CD1-CG2 3.91Å; I707-I731 HydrophobicContact CG1-CG2 3.76Å; I715-I731 HydrophobicContact CD1-CB 4.46Å; I715-I731 HydrophobicContact CD1-CD1 3.89Å; I715-I731 HydrophobicContact CD1-CG2 3.83Å; I729-I731 HydrophobicContact CD1-CG2 3.79Å; I729-I731 HydrophobicContact CG1-CG2 3.98Å; I731-N734 PolarHBondContact O-ND2 3.3Å; I731-I736 HydrophobicContact CB-CD1 4.09Å; I731-I736 HydrophobicContact CD1-CD1 3.99Å; I731-I736 HydrophobicContact CG1-CD1 4.43Å; I731-L739 HydrophobicContact CD1-CD2 3.68Å; I731-R753 WeakPolarHBondContact CG1-O 3.32Å; I731-R753 PolarHBondContact N-O 3.2Å; I731-A754 HydrophobicContact CD1-CB 3.7Å; I731-A754 HydrophobicContact CG1-CB 3.5Å; I731-A754 VanDerWaalsContact CG1-CB 3.5Å; I731-N757 PolarHBondContact O-ND2 2.9Å
732	S	97.6	Very high	93.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	152.3	-175	-51.1	0	0	0	0	112.6	S708 Y709 N730 N734 R753 A754 H755	S708-S732 CarbonylContact C-O 3.58Å; S708-S732 WeakPolarHBondContact CA-O 3.33Å; S708-S732 WeakPolarHBondContact CB-O 3.31Å; Y709-S732 PolarHBondContact N-O 2.7Å; N730-S732 VanDerWaalsContact OD1-CB 3.22Å; N730-S732 WeakPolarHBondContact OD1-CB 3.48Å; N730-S732 PolarHBondContact OD1-N 3.28Å; N730-S732 PolarHBondContact OD1-OG 3.05Å; S732-N734 VanDerWaalsContact C-N 3.33Å; S732-N734 PolarHBondContact O-N 2.9Å; S732-N734 PolarHBondContact O-ND2 3.21Å; S732-R753 VanDerWaalsContact OG-C 3.22Å; S732-R753 PolarHBondContact OG-O 2.76Å; S732-A754 PolarHBondContact OG-N 2.77Å; S732-H755 CarbonylContact C-O 3.3Å; S732-H755 WeakPolarHBondContact CA-O 3.17Å; S732-H755 WeakPolarHBondContact CB-O 3.38Å; S732-H755 PolarHBondContact OG-CD2 2.89Å; S732-H755 VanDerWaalsContact OG-CD2 3.28Å; S732-H755 PolarHBondContact OG-N 2.88Å
733	G	96.8	Very high	93.4	Very high	19 Å²	19	29.8 Å²	29.8	20%	0.196	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	24.2	177.9	0	0	0	0	0	115.5	Y709 H755 S756 N757	Y709-G733 WeakPolarHBondContact CA-O 3.44Å; G733-H755 PolarHBondContact N-O 3.19Å; G733-S756 WeakPolarHBondContact CA-O 3.21Å; G733-S756 PolarHBondContact N-O 2.8Å; G733-N757 PolarHBondContact N-ND2 3.34Å
734	N	98	Very high	92.7	Very high	7 Å²	7	30.9 Å²	30.9	4%	0.037	17%	0.173	C	C	.	.	S	Bend	trans	-106	-165.7	174.2	-79.2	-80.3	0	0	0	110.1	I707 N710 I712 I731 S732 I736 N757	I707-N734 PolarHBondContact O-ND2 3.18Å; N710-N734 WeakPolarHBondContact CA-OD1 3.43Å; N710-N734 WeakPolarHBondContact CB-OD1 3.37Å; N710-N734 PolarHBondContact N-OD1 2.89Å; N710-N734 PolarHBondContact O-OD1 3.12Å; I712-N734 HydrophobicContact CB-CB 4.23Å; I712-N734 WeakPolarHBondContact CB-OD1 3.45Å; I712-N734 PolarHBondContact N-OD1 3.17Å; I712-N734 VanDerWaalsContact N-OD1 3.08Å; I731-N734 PolarHBondContact O-ND2 3.3Å; S732-N734 VanDerWaalsContact C-N 3.33Å; S732-N734 PolarHBondContact O-N 2.9Å; S732-N734 PolarHBondContact O-ND2 3.21Å; N734-I736 HydrophobicContact CB-CD1 4.07Å; N734-I736 HydrophobicContact CB-CG1 4.16Å; N734-N757 WeakPolarHBondContact CA-OD1 3.42Å; N734-N757 VanDerWaalsContact CB-OD1 3.29Å; N734-N757 WeakPolarHBondContact CB-OD1 3.32Å; N734-N757 PolarHBondContact N-ND2 2.95Å; N734-N757 PolarHBondContact N-OD1 3.03Å; N734-N757 PolarHBondContact O-OD1 3.43Å
735	Q	96.5	Very high	92.2	Very high	115 Å²	115	30.3 Å²	30.3	54%	0.537	18%	0.177	S	C	.	.			trans	-117.9	34.1	-175.6	-60.3	177.3	18.8	0	0	111.8	I712 T713 N757	I712-Q735 CarbonylContact O-C 3.58Å; I712-Q735 WeakPolarHBondContact O-CA 3.48Å; I712-Q735 PolarHBondContact O-N 3.41Å; T713-Q735 HydrophobicContact CG2-CB 4.21Å; Q735-N757 PolarHBondContact N-OD1 3.07Å
736	I	96.3	Very high	91.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.162	C	C	.	.			trans	-82.4	127.7	-172.5	-59	164.4	0	0	0	110.2	I712 I715 I731 N734 T738 L739 N757 V758 I759	I712-I736 HydrophobicContact CG2-CD1 4.15Å; I712-I736 HydrophobicContact CG2-CG1 4.18Å; I715-I736 HydrophobicContact CD1-CD1 3.71Å; I715-I736 HydrophobicContact CG1-CD1 4.01Å; I731-I736 HydrophobicContact CB-CD1 4.09Å; I731-I736 HydrophobicContact CD1-CD1 3.99Å; I731-I736 HydrophobicContact CG1-CD1 4.43Å; N734-I736 HydrophobicContact CB-CD1 4.07Å; N734-I736 HydrophobicContact CB-CG1 4.16Å; I736-T738 WeakPolarHBondContact CG2-O 3.19Å; I736-L739 HydrophobicContact CG2-CD2 4.41Å; I736-N757 WeakPolarHBondContact CB-OD1 3.4Å; I736-N757 PolarHBondContact N-OD1 3.41Å; I736-V758 CarbonylContact O-C 3.57Å; I736-V758 VanDerWaalsContact O-C 3.3Å; I736-V758 WeakPolarHBondContact O-CG2 3.36Å; I736-V758 PolarHBondContact O-N 3.01Å; I736-I759 VanDerWaalsContact O-CG1 3.3Å; I736-I759 WeakPolarHBondContact O-CG1 3.04Å; I736-I759 PolarHBondContact O-N 3.09Å; I736-I759 VanDerWaalsContact O-N 3.15Å
737	P	94.2	Very high	91.5	Very high	54 Å²	54	29.1 Å²	29.1	35%	0.351	17%	0.174	S	C	.	.			trans	-94	-20.8	-178	35.4	-36	0	0	0	114.6	T713 V758 I759 S760	T713-P737 WeakPolarHBondContact O-CD 3.34Å; P737-V758 HydrophobicContact CB-CG2 4.31Å; P737-I759 WeakPolarHBondContact O-CA 3.46Å; P737-S760 PolarHBondContact O-N 3.49Å
738	T	92.2	Very high	91.4	Very high	72 Å²	72	28.9 Å²	28.9	44%	0.442	18%	0.175	S	C	.	.	B	Isolated β-bridge	trans	-148.5	147.7	-178.5	55.8	0	0	0	0	110.3	I736	I736-T738 WeakPolarHBondContact CG2-O 3.19Å
739	L	90.5	Very high	91.2	Very high	12 Å²	12	27.5 Å²	27.5	6%	0.063	17%	0.168	C	C	.	.			trans	-95.1	131.5	170.3	-61.4	-177.7	0	0	0	110.1	I731 I736 L743 I759 L762 P763 L778	I731-L739 HydrophobicContact CD1-CD2 3.68Å; I736-L739 HydrophobicContact CG2-CD2 4.41Å; L739-L743 HydrophobicContact CB-CD2 4.14Å; L739-L743 HydrophobicContact CD1-CD2 3.89Å; L739-L743 HydrophobicContact CG-CD2 4.47Å; L739-I759 HydrophobicContact CD1-CD1 4.24Å; L739-I759 HydrophobicContact CD2-CD1 3.83Å; L739-I759 HydrophobicContact CG-CD1 3.95Å; L739-I759 HydrophobicContact CG-CG2 4.48Å; L739-L762 HydrophobicContact CD1-CD2 3.79Å; L739-L762 HydrophobicContact CG-CD2 4.23Å; L739-P763 HydrophobicContact CB-CG 4.35Å; L739-L778 HydrophobicContact CD1-CD2 4.21Å
740	P	90.2	Very high	90.7	Very high	14 Å²	14	29.7 Å²	29.7	9%	0.091	18%	0.182	C	C	.	.			trans	-65.8	149	178.7	26.9	-35.5	0	0	0	112	I715 N717 F720 T742 L743	I715-P740 HydrophobicContact CB-CG 4.48Å; I715-P740 HydrophobicContact CG2-CG 4.38Å; N717-P740 WeakPolarHBondContact OD1-CB 3.42Å; F720-P740 HydrophobicContact CD2-CG 3.51Å; F720-P740 HydrophobicContact CE2-CG 3.46Å; F720-P740 VanDerWaalsContact CE2-CG 3.46Å; P740-T742 VanDerWaalsContact C-N 3.29Å; P740-T742 PolarHBondContact O-N 3.46Å; P740-L743 VanDerWaalsContact O-CB 3.26Å; P740-L743 WeakPolarHBondContact O-CB 3.32Å; P740-L743 PolarHBondContact O-N 3.38Å
741	S	85.7	Confident	90.3	Very high	74 Å²	74	29.7 Å²	29.7	52%	0.517	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-67.9	-26.5	-176.7	53	0	0	0	0	113.5	N717 L743 T744	N717-S741 PolarHBondContact OD1-N 2.65Å; S741-L743 PolarHBondContact O-N 2.61Å; S741-T744 PolarHBondContact O-N 2.97Å; S741-T744 VanDerWaalsContact O-N 3.13Å; S741-T744 PolarHBondContact O-OG1 3.31Å
742	T	88.1	Confident	90	Very high	14 Å²	14	29.9 Å²	29.9	9%	0.086	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-67.2	-13.4	176.8	56	0	0	0	0	113.8	N717 Q721 P740 T744 S745	N717-T742 VanDerWaalsContact CA-OG1 3.3Å; N717-T742 WeakPolarHBondContact CA-OG1 3.35Å; N717-T742 HydrophobicContact CB-CG2 3.82Å; N717-T742 WeakPolarHBondContact O-CB 3.14Å; N717-T742 PolarHBondContact O-OG1 2.95Å; Q721-T742 HydrophobicContact CG-CG2 3.84Å; P740-T742 VanDerWaalsContact C-N 3.29Å; P740-T742 PolarHBondContact O-N 3.46Å; T742-T744 PolarHBondContact O-N 3.02Å; T742-S745 PolarHBondContact O-N 2.87Å; T742-S745 PolarHBondContact O-OG 3.01Å
743	L	87.9	Confident	89.8	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.01	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-57.3	-34.4	169.2	178.7	63.6	0	0	0	111.7	F720 L739 P740 S741 S745 L746 L749 L752	F720-L743 HydrophobicContact CD1-CD1 4.09Å; F720-L743 HydrophobicContact CD2-CB 4.17Å; F720-L743 HydrophobicContact CD2-CD1 4.5Å; F720-L743 HydrophobicContact CE1-CD1 3.74Å; F720-L743 HydrophobicContact CE2-CB 4.28Å; F720-L743 HydrophobicContact CE2-CD1 4.18Å; F720-L743 HydrophobicContact CG-CD1 4.44Å; F720-L743 HydrophobicContact CZ-CD1 3.79Å; L739-L743 HydrophobicContact CB-CD2 4.14Å; L739-L743 HydrophobicContact CD1-CD2 3.89Å; L739-L743 HydrophobicContact CG-CD2 4.47Å; P740-L743 VanDerWaalsContact O-CB 3.26Å; P740-L743 WeakPolarHBondContact O-CB 3.32Å; P740-L743 PolarHBondContact O-N 3.38Å; S741-L743 PolarHBondContact O-N 2.61Å; L743-S745 VanDerWaalsContact C-N 3.3Å; L743-S745 PolarHBondContact O-N 2.91Å; L743-L746 HydrophobicContact CD1-CD1 4.02Å; L743-L749 HydrophobicContact CD1-CD2 4.09Å; L743-L752 HydrophobicContact CD1-CD1 4.38Å; L743-L752 HydrophobicContact CD2-CD1 4.13Å; L743-L752 HydrophobicContact CD2-CD2 3.92Å
744	T	80.7	Confident	89.8	Confident	23 Å²	23	29.3 Å²	29.3	14%	0.141	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-81.3	-10	-175.9	80.5	0	0	0	0	113.3	S741 T742 P763 L765 C768	S741-T744 PolarHBondContact O-N 2.97Å; S741-T744 VanDerWaalsContact O-N 3.13Å; S741-T744 PolarHBondContact O-OG1 3.31Å; T742-T744 PolarHBondContact O-N 3.02Å; T744-P763 HydrophobicContact CG2-CB 3.73Å; T744-P763 HydrophobicContact CG2-CG 3.71Å; T744-L765 HydrophobicContact CG2-CD2 3.74Å; T744-C768 WeakPolarHBondContact CB-SG 3.45Å; T744-C768 PolarHBondContact O-SG 3.49Å; T744-C768 PolarHBondContact OG1-SG 3.01Å
745	S	82.4	Confident	89.5	Confident	65 Å²	65	29 Å²	29	46%	0.455	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-89.8	-0.2	176	63.7	0	0	0	0	114.3	T742 L743 P747	T742-S745 PolarHBondContact O-N 2.87Å; T742-S745 PolarHBondContact O-OG 3.01Å; L743-S745 VanDerWaalsContact C-N 3.3Å; L743-S745 PolarHBondContact O-N 2.91Å; S745-P747 WeakPolarHBondContact O-CD 3.35Å
746	L	87.7	Confident	89.4	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.01	16%	0.155	C	C	.	.			trans	-70.9	116.2	-179.9	-67.1	177.8	0	0	0	111.2	F720 L726 L743 L748 L749	F720-L746 HydrophobicContact CB-CD2 4.34Å; F720-L746 HydrophobicContact CD1-CD1 3.82Å; F720-L746 HydrophobicContact CE1-CD1 4.44Å; F720-L746 WeakPolarHBondContact O-CD2 3.34Å; L726-L746 HydrophobicContact CD2-CD1 4.19Å; L743-L746 HydrophobicContact CD1-CD1 4.02Å; L746-L748 VanDerWaalsContact C-N 3.34Å; L746-L748 PolarHBondContact O-N 2.86Å; L746-L749 HydrophobicContact CB-CB 3.87Å; L746-L749 HydrophobicContact CD1-CB 4.35Å; L746-L749 HydrophobicContact CD1-CD1 4.12Å; L746-L749 HydrophobicContact CD1-CD2 4.28Å; L746-L749 HydrophobicContact CD1-CG 4.49Å
747	P	84.8	Confident	89.4	Confident	40 Å²	40	25.1 Å²	25.1	26%	0.26	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-15.8	-169.2	30.5	-35.9	0	0	0	114.2	S745	S745-P747 WeakPolarHBondContact O-CD 3.35Å
748	L	88.4	Confident	89.4	Confident	59 Å²	59	24.9 Å²	24.9	31%	0.309	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-2.4	-176.8	-60.7	-175.3	0	0	0	114.2	M725 L726 Q727 L746 T750	M725-L748 HydrophobicContact CE-CD1 3.77Å; M725-L748 HydrophobicContact SD-CD1 4.32Å; L726-L748 CarbonylContact O-C 3.57Å; L726-L748 VanDerWaalsContact O-C 3.31Å; Q727-L748 WeakPolarHBondContact CA-O 3.29Å; Q727-L748 HydrophobicContact CG-CB 3.92Å; Q727-L748 WeakPolarHBondContact CG-O 3.43Å; L746-L748 VanDerWaalsContact C-N 3.34Å; L746-L748 PolarHBondContact O-N 2.86Å; L748-T750 PolarHBondContact O-N 2.81Å; L748-T750 VanDerWaalsContact O-N 3.16Å
749	L	87.8	Confident	89.5	Confident	2 Å²	2	21.4 Å²	21.4	1%	0.01	13%	0.134	C	C	.	.			trans	-65.4	114.7	-172.8	-170.4	77.8	0	0	0	111.2	L726 Q727 I729 L743 L746 L752 L771 L772 A773	L726-L749 WeakPolarHBondContact O-CA 3.36Å; L726-L749 PolarHBondContact O-N 3.34Å; Q727-L749 CarbonylContact O-C 3.43Å; I729-L749 HydrophobicContact CG2-CD1 4.04Å; L743-L749 HydrophobicContact CD1-CD2 4.09Å; L746-L749 HydrophobicContact CB-CB 3.87Å; L746-L749 HydrophobicContact CD1-CB 4.35Å; L746-L749 HydrophobicContact CD1-CD1 4.12Å; L746-L749 HydrophobicContact CD1-CD2 4.28Å; L746-L749 HydrophobicContact CD1-CG 4.49Å; L749-L752 HydrophobicContact CD2-CB 4.42Å; L749-L771 HydrophobicContact CB-CD1 4.41Å; L749-L771 HydrophobicContact CD2-CD1 4.29Å; L749-L772 CarbonylContact O-C 3.4Å; L749-L772 WeakPolarHBondContact O-CA 3.44Å; L749-L772 WeakPolarHBondContact O-CB 3.49Å; L749-L772 PolarHBondContact O-N 2.97Å; L749-A773 WeakPolarHBondContact O-CA 3.2Å; L749-A773 PolarHBondContact O-N 3.12Å
750	T	85.2	Confident	89.4	Confident	45 Å²	45	23.1 Å²	23.1	28%	0.276	15%	0.147	S	C	.	.			trans	-105	-25.9	178.4	51.7	0	0	0	0	113.5	Q727 L748 L772 S774 H775	Q727-T750 PolarHBondContact O-N 2.83Å; Q727-T750 PolarHBondContact O-OG1 3.18Å; Q727-T750 VanDerWaalsContact O-OG1 3.12Å; L748-T750 PolarHBondContact O-N 2.81Å; L748-T750 VanDerWaalsContact O-N 3.16Å; T750-L772 HydrophobicContact CG2-CB 3.89Å; T750-L772 HydrophobicContact CG2-CD1 4.5Å; T750-S774 PolarHBondContact O-N 3.1Å; T750-S774 PolarHBondContact O-OG 3.2Å; T750-H775 PolarHBondContact O-N 3.26Å
751	T	87.9	Confident	89.1	Confident	4 Å²	4	25.7 Å²	25.7	3%	0.025	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	125.4	-174.6	-60	0	0	0	0	111.2	Q727 E728 I729 R753 H775	Q727-T751 PolarHBondContact O-N 2.8Å; E728-T751 WeakPolarHBondContact CA-O 3.5Å; E728-T751 HydrophobicContact CG-CG2 3.92Å; I729-T751 PolarHBondContact N-O 3.13Å; T751-R753 HydrophobicContact CG2-CG 4.17Å; T751-H775 HydrophobicContact CG2-CB 4.36Å
752	L	91.6	Very high	88.9	Confident	4 Å²	4	22.7 Å²	22.7	2%	0.021	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	114.3	176.2	172.1	60.5	0	0	0	109.8	I729 L743 L749 A754 H775 I776 D777	I729-L752 HydrophobicContact CG2-CD1 3.72Å; L743-L752 HydrophobicContact CD1-CD1 4.38Å; L743-L752 HydrophobicContact CD2-CD1 4.13Å; L743-L752 HydrophobicContact CD2-CD2 3.92Å; L749-L752 HydrophobicContact CD2-CB 4.42Å; L752-A754 HydrophobicContact CD1-CB 4.47Å; L752-H775 PolarHBondContact N-O 3.09Å; L752-I776 WeakPolarHBondContact O-CA 3.39Å; L752-D777 PolarHBondContact O-N 3.38Å
753	R	93.4	Very high	88.7	Confident	8 Å²	8	22.9 Å²	22.9	3%	0.03	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	115.8	173.7	-58.3	-179.3	60.7	58.5	4.1	109.2	I729 N730 I731 S732 T751 H755 D777 D1074	I729-R753 PolarHBondContact O-N 2.76Å; N730-R753 WeakPolarHBondContact CA-O 3.16Å; N730-R753 HydrophobicContact CB-CB 4.13Å; N730-R753 VanDerWaalsContact OD1-CB 3.24Å; N730-R753 WeakPolarHBondContact OD1-CB 3.35Å; N730-R753 PolarHBondContact OD1-O 2.91Å; I731-R753 WeakPolarHBondContact CG1-O 3.32Å; I731-R753 PolarHBondContact N-O 3.2Å; S732-R753 VanDerWaalsContact OG-C 3.22Å; S732-R753 PolarHBondContact OG-O 2.76Å; T751-R753 HydrophobicContact CG2-CG 4.17Å; R753-H755 PolarHBondContact NH2-CD2 3.32Å; R753-H755 PolarHBondContact NH2-NE2 3.12Å; R753-D777 HydrophobicContact CG-CB 4.35Å; R753-D777 IonicContact CZ-OD2 2.68Å; R753-D777 IonicContact NH1-OD2 3.9Å; R753-D777 PolarHBondContact NH1-OD2 2.96Å; R753-D777 IonicContact NH2-OD2 3.71Å; R753-D1074 IonicContact CZ-OD1 3.16Å; R753-D1074 IonicContact NE-OD1 3.81Å; R753-D1074 PolarHBondContact NE-OD1 3.1Å; R753-D1074 IonicContact NH2-OD1 3.94Å; R753-D1074 PolarHBondContact NH2-OD1 2.92Å; R753-D1074 IonicContact NH2-OD2 2.67Å
754	A	95.4	Very high	88.4	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.159	C	C	.	.			trans	-144.3	31.2	-178.5	0	0	0	0	0	112.1	I731 S732 L752 I759 D777 L778 N781	I731-A754 HydrophobicContact CD1-CB 3.7Å; I731-A754 HydrophobicContact CG1-CB 3.5Å; I731-A754 VanDerWaalsContact CG1-CB 3.5Å; S732-A754 PolarHBondContact OG-N 2.77Å; L752-A754 HydrophobicContact CD1-CB 4.47Å; A754-I759 HydrophobicContact CB-CD1 3.97Å; A754-I759 WeakPolarHBondContact O-CD1 3.21Å; A754-D777 CarbonylContact C-O 3.57Å; A754-D777 PolarHBondContact N-O 3.38Å; A754-L778 HydrophobicContact CB-CD2 4.03Å; A754-N781 PolarHBondContact O-ND2 3.15Å
755	H	93.5	Very high	88.2	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.153	C	C	.	.			trans	-77.1	174.3	-179.7	68.9	74.2	0	0	0	111.9	Y709 S732 G733 R753 N757 D777 A779 D1074	Y709-H755 PolarHBondContact OH-CE1 3.02Å; S732-H755 CarbonylContact C-O 3.3Å; S732-H755 WeakPolarHBondContact CA-O 3.17Å; S732-H755 WeakPolarHBondContact CB-O 3.38Å; S732-H755 PolarHBondContact OG-CD2 2.89Å; S732-H755 VanDerWaalsContact OG-CD2 3.28Å; S732-H755 PolarHBondContact OG-N 2.88Å; G733-H755 PolarHBondContact N-O 3.19Å; R753-H755 PolarHBondContact NH2-CD2 3.32Å; R753-H755 PolarHBondContact NH2-NE2 3.12Å; H755-N757 PolarHBondContact O-N 3.2Å; H755-N757 PolarHBondContact O-ND2 3.47Å; H755-D777 WeakPolarHBondContact CB-OD1 3.24Å; H755-D777 IonicContact CD2-OD1 2.76Å; H755-D777 PolarHBondContact CD2-OD1 3.1Å; H755-D777 IonicContact CD2-OD2 2.79Å; H755-D777 PolarHBondContact CD2-OD2 2.83Å; H755-D777 VanDerWaalsContact CD2-OD2 3.3Å; H755-D777 IonicContact CG-OD1 3.62Å; H755-D777 PolarHBondContact N-O 2.95Å; H755-D777 IonicContact NE2-OD2 3.18Å; H755-A779 CarbonylContact C-O 3.28Å; H755-A779 WeakPolarHBondContact CA-O 3.48Å; H755-A779 HydrophobicContact CB-CB 4.05Å; H755-A779 WeakPolarHBondContact CB-O 3.48Å; H755-D1074 IonicContact CE1-OD2 2.64Å; H755-D1074 PolarHBondContact CE1-OD2 3.29Å; H755-D1074 IonicContact NE2-OD1 2.74Å; H755-D1074 IonicContact NE2-OD2 3.11Å; H755-D1074 PolarHBondContact NE2-OD2 3.38Å; H755-D1074 VanDerWaalsContact NE2-OD2 3.14Å
756	S	94.4	Very high	87.5	Confident	24 Å²	24	23.1 Å²	23.1	17%	0.168	15%	0.145	C	C	.	.	S	Bend	trans	53.3	38.6	178.2	-50.6	0	0	0	0	113	G733 A779 A780	G733-S756 WeakPolarHBondContact CA-O 3.21Å; G733-S756 PolarHBondContact N-O 2.8Å; S756-A779 PolarHBondContact N-O 2.95Å; S756-A780 WeakPolarHBondContact CA-O 3.23Å; S756-A780 PolarHBondContact N-O 3.05Å
757	N	95.6	Very high	86.4	Confident	10 Å²	10	27.7 Å²	27.7	5%	0.053	17%	0.173	C	C	.	.	S	Bend	trans	-117.4	-163.9	177.6	-90.6	-95.3	0	0	0	109	I731 G733 N734 Q735 I736 H755 I759 A780 N781	I731-N757 PolarHBondContact O-ND2 2.9Å; G733-N757 PolarHBondContact N-ND2 3.34Å; N734-N757 WeakPolarHBondContact CA-OD1 3.42Å; N734-N757 VanDerWaalsContact CB-OD1 3.29Å; N734-N757 WeakPolarHBondContact CB-OD1 3.32Å; N734-N757 PolarHBondContact N-ND2 2.95Å; N734-N757 PolarHBondContact N-OD1 3.03Å; N734-N757 PolarHBondContact O-OD1 3.43Å; Q735-N757 PolarHBondContact N-OD1 3.07Å; I736-N757 WeakPolarHBondContact CB-OD1 3.4Å; I736-N757 PolarHBondContact N-OD1 3.41Å; H755-N757 PolarHBondContact O-N 3.2Å; H755-N757 PolarHBondContact O-ND2 3.47Å; N757-I759 HydrophobicContact CB-CD1 4.11Å; N757-I759 HydrophobicContact CB-CG1 3.95Å; N757-A780 PolarHBondContact N-O 2.83Å; N757-N781 VanDerWaalsContact CA-OD1 3.32Å; N757-N781 WeakPolarHBondContact CA-OD1 3.5Å; N757-N781 WeakPolarHBondContact CB-OD1 3.27Å; N757-N781 PolarHBondContact N-OD1 2.86Å; N757-N781 PolarHBondContact O-OD1 2.86Å
758	V	94.8	Very high	85.4	Confident	48 Å²	48	26.9 Å²	26.9	29%	0.291	17%	0.168	S	C	.	.			trans	-115.5	27.6	174.5	-65.1	0	0	0	0	112.1	I736 P737 S760 N781	I736-V758 CarbonylContact O-C 3.57Å; I736-V758 VanDerWaalsContact O-C 3.3Å; I736-V758 WeakPolarHBondContact O-CG2 3.36Å; I736-V758 PolarHBondContact O-N 3.01Å; P737-V758 HydrophobicContact CB-CG2 4.31Å; V758-S760 PolarHBondContact O-N 3.09Å; V758-N781 PolarHBondContact N-OD1 3.01Å
759	I	92.7	Very high	83.8	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.191	C	C	.	.			trans	-64.3	120.7	-172.7	-58.5	165.6	0	0	0	109.9	I736 P737 L739 A754 N757 S761 L762 N781 R782 I783	I736-I759 VanDerWaalsContact O-CG1 3.3Å; I736-I759 WeakPolarHBondContact O-CG1 3.04Å; I736-I759 PolarHBondContact O-N 3.09Å; I736-I759 VanDerWaalsContact O-N 3.15Å; P737-I759 WeakPolarHBondContact O-CA 3.46Å; L739-I759 HydrophobicContact CD1-CD1 4.24Å; L739-I759 HydrophobicContact CD2-CD1 3.83Å; L739-I759 HydrophobicContact CG-CD1 3.95Å; L739-I759 HydrophobicContact CG-CG2 4.48Å; A754-I759 HydrophobicContact CB-CD1 3.97Å; A754-I759 WeakPolarHBondContact O-CD1 3.21Å; N757-I759 HydrophobicContact CB-CD1 4.11Å; N757-I759 HydrophobicContact CB-CG1 3.95Å; I759-S761 WeakPolarHBondContact CG2-O 3.26Å; I759-L762 HydrophobicContact CG2-CD2 3.69Å; I759-L762 HydrophobicContact CG2-CG 4.32Å; I759-N781 HydrophobicContact CB-CB 4.27Å; I759-N781 VanDerWaalsContact CB-OD1 3.31Å; I759-N781 WeakPolarHBondContact CB-OD1 3.45Å; I759-N781 WeakPolarHBondContact CG1-OD1 3.36Å; I759-N781 PolarHBondContact N-OD1 3.41Å; I759-R782 CarbonylContact O-C 3.56Å; I759-R782 WeakPolarHBondContact O-CA 3.32Å; I759-R782 PolarHBondContact O-N 3.28Å; I759-I783 PolarHBondContact O-N 3.06Å
760	S	89.4	Confident	82.3	Confident	48 Å²	48	38.6 Å²	38.6	34%	0.336	22%	0.221	S	C	.	.			trans	-107.6	-29.1	174.6	60.6	0	0	0	0	113.6	P737 V758 R782	P737-S760 PolarHBondContact O-N 3.49Å; V758-S760 PolarHBondContact O-N 3.09Å; S760-R782 WeakPolarHBondContact CA-O 3.34Å
761	S	83.5	Confident	81	Confident	68 Å²	68	36.7 Å²	36.7	48%	0.476	21%	0.209	S	C	.	.	B	Isolated β-bridge	trans	-125.1	140.4	-178.8	-172.3	0	0	0	0	112.3	I759	I759-S761 WeakPolarHBondContact CG2-O 3.26Å
762	L	82.8	Confident	79.5	Confident	11 Å²	11	39 Å²	39	6%	0.058	22%	0.221	C	C	.	.			trans	-125.7	141.4	-174.4	-66.5	173	0	0	0	111.1	L739 I759 L778 I783 V786 L791	L739-L762 HydrophobicContact CD1-CD2 3.79Å; L739-L762 HydrophobicContact CG-CD2 4.23Å; I759-L762 HydrophobicContact CG2-CD2 3.69Å; I759-L762 HydrophobicContact CG2-CG 4.32Å; L762-L778 HydrophobicContact CD1-CD1 3.92Å; L762-L778 HydrophobicContact CD2-CD1 4.24Å; L762-L778 HydrophobicContact CD2-CD2 4.31Å; L762-I783 HydrophobicContact CD1-CD1 3.86Å; L762-I783 HydrophobicContact CD1-CG1 4.17Å; L762-I783 HydrophobicContact CD1-CG2 4.14Å; L762-V786 HydrophobicContact CB-CG2 4.5Å; L762-V786 HydrophobicContact CD1-CG1 4.49Å; L762-V786 HydrophobicContact CD1-CG2 4.48Å; L762-L791 HydrophobicContact CD1-CD2 3.78Å
763	P	83.9	Confident	77.9	Confident	18 Å²	18	38.9 Å²	38.9	12%	0.117	22%	0.221	C	C	.	.			trans	-69.2	158.9	168	33	-35.3	0	0	0	110.3	L739 T744 L765	L739-P763 HydrophobicContact CB-CG 4.35Å; T744-P763 HydrophobicContact CG2-CB 3.73Å; T744-P763 HydrophobicContact CG2-CG 3.71Å; P763-L765 HydrophobicContact CG-CD2 4.18Å; P763-L765 PolarHBondContact O-N 2.99Å; P763-L765 VanDerWaalsContact O-N 3.11Å
764	N	80.1	Confident	77	Confident	55 Å²	55	39.1 Å²	39.1	29%	0.294	22%	0.223	S	C	.	.			trans	-76.3	102.1	-178.9	-171.5	4.6	0	0	0	110.8	A766 T767 R790	N764-A766 PolarHBondContact OD1-N 2.9Å; N764-T767 WeakPolarHBondContact CB-OG1 3.4Å; N764-T767 WeakPolarHBondContact ND2-CG2 3.42Å; N764-T767 PolarHBondContact ND2-OG1 2.86Å; N764-T767 PolarHBondContact O-OG1 3.1Å; N764-R790 WeakPolarHBondContact OD1-CA 3.42Å; N764-R790 WeakPolarHBondContact OD1-CB 3.2Å; N764-R790 PolarHBondContact OD1-O 2.93Å
765	L	76.6	Confident	76.5	Confident	5 Å²	5	39.5 Å²	39.5	3%	0.026	23%	0.225	C	C	.	.	S	Bend	trans	-73.4	-31.3	-179	-48.8	-177	0	0	0	111.3	T744 P763 T767 C768 L771 I776 R790 L791 A793	T744-L765 HydrophobicContact CG2-CD2 3.74Å; P763-L765 HydrophobicContact CG-CD2 4.18Å; P763-L765 PolarHBondContact O-N 2.99Å; P763-L765 VanDerWaalsContact O-N 3.11Å; L765-T767 VanDerWaalsContact C-N 3.31Å; L765-T767 PolarHBondContact O-N 3.32Å; L765-C768 PolarHBondContact O-N 3.25Å; L765-L771 HydrophobicContact CB-CD2 4.36Å; L765-I776 HydrophobicContact CD1-CD1 3.92Å; L765-R790 WeakPolarHBondContact CA-O 3.26Å; L765-R790 WeakPolarHBondContact CB-O 3.46Å; L765-R790 PolarHBondContact N-O 3.17Å; L765-L791 HydrophobicContact CD1-CD2 4.32Å; L765-A793 HydrophobicContact CB-CB 4.44Å; L765-A793 WeakPolarHBondContact O-CB 3.46Å
766	A	68.8	Low	76.1	Confident	34 Å²	34	39.6 Å²	39.6	28%	0.281	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-23.8	-176.4	0	0	0	0	0	114.4	N764 C768 S789 R790	N764-A766 PolarHBondContact OD1-N 2.9Å; A766-C768 PolarHBondContact O-N 3.44Å; A766-S789 WeakPolarHBondContact CB-O 3.39Å; A766-R790 PolarHBondContact N-O 3.48Å
767	T	65.1	Low	75.9	Confident	98 Å²	98	38.5 Å²	38.5	60%	0.601	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-2.1	176.1	28.1	0	0	0	0	114.8	N764 L765	N764-T767 WeakPolarHBondContact CB-OG1 3.4Å; N764-T767 WeakPolarHBondContact ND2-CG2 3.42Å; N764-T767 PolarHBondContact ND2-OG1 2.86Å; N764-T767 PolarHBondContact O-OG1 3.1Å; L765-T767 VanDerWaalsContact C-N 3.31Å; L765-T767 PolarHBondContact O-N 3.32Å
768	C	61.8	Low	75.7	Confident	23 Å²	23	38.1 Å²	38.1	16%	0.155	22%	0.216	C	C	.	.			trans	-108.4	89.7	-171.3	-66.5	0	0	0	0	112.3	T744 L765 A766 Q770 L771	T744-C768 WeakPolarHBondContact CB-SG 3.45Å; T744-C768 PolarHBondContact O-SG 3.49Å; T744-C768 PolarHBondContact OG1-SG 3.01Å; L765-C768 PolarHBondContact O-N 3.25Å; A766-C768 PolarHBondContact O-N 3.44Å; C768-Q770 PolarHBondContact O-N 3.1Å; C768-L771 HydrophobicContact CB-CB 3.86Å; C768-L771 VanDerWaalsContact O-CB 3.28Å; C768-L771 WeakPolarHBondContact O-CB 3.38Å; C768-L771 PolarHBondContact O-N 2.76Å
769	E	56.8	Low	75.4	Confident	169 Å²	169	35.9 Å²	35.9	79%	0.79	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-30.5	178.5	-59.5	-172.6	149.7	0	0	114
770	Q	55.5	Low	75.2	Confident	138 Å²	138	36.8 Å²	36.8	65%	0.645	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-18.2	177.8	-62.2	-164.8	12.9	0	0	113.6	C768 L772	C768-Q770 PolarHBondContact O-N 3.1Å; Q770-L772 WeakPolarHBondContact O-CD2 3.39Å; Q770-L772 PolarHBondContact O-N 2.93Å
771	L	58.4	Low	75.3	Confident	5 Å²	5	35.1 Å²	35.1	3%	0.026	20%	0.197	C	C	.	.			trans	-63.9	112.1	-172.7	-161.1	74.3	0	0	0	109.9	L749 L765 C768 A773 A793	L749-L771 HydrophobicContact CB-CD1 4.41Å; L749-L771 HydrophobicContact CD2-CD1 4.29Å; L765-L771 HydrophobicContact CB-CD2 4.36Å; C768-L771 HydrophobicContact CB-CB 3.86Å; C768-L771 VanDerWaalsContact O-CB 3.28Å; C768-L771 WeakPolarHBondContact O-CB 3.38Å; C768-L771 PolarHBondContact O-N 2.76Å; L771-A773 HydrophobicContact CD1-CB 4.48Å; L771-A773 HydrophobicContact CD2-CB 3.64Å; L771-A773 HydrophobicContact CG-CB 3.64Å; L771-A773 PolarHBondContact O-N 2.94Å; L771-A793 HydrophobicContact CD2-CB 4Å
772	L	56.5	Low	75.6	Confident	54 Å²	54	40 Å²	40	28%	0.283	21%	0.205	S	C	.	.			trans	-78.4	3.9	177.7	-53.7	-174.1	0	0	0	112.3	L749 T750 Q770 S774 K795	L749-L772 CarbonylContact O-C 3.4Å; L749-L772 WeakPolarHBondContact O-CA 3.44Å; L749-L772 WeakPolarHBondContact O-CB 3.49Å; L749-L772 PolarHBondContact O-N 2.97Å; T750-L772 HydrophobicContact CG2-CB 3.89Å; T750-L772 HydrophobicContact CG2-CD1 4.5Å; Q770-L772 WeakPolarHBondContact O-CD2 3.39Å; Q770-L772 PolarHBondContact O-N 2.93Å; L772-S774 PolarHBondContact O-N 3.03Å; L772-K795 HydrophobicContact CD2-CD 3.65Å
773	A	57.1	Low	75.8	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.008	20%	0.204	C	C	.	.			trans	-57.3	109.3	-172.6	0	0	0	0	0	109.7	L749 L771 I776 K795 V796	L749-A773 WeakPolarHBondContact O-CA 3.2Å; L749-A773 PolarHBondContact O-N 3.12Å; L771-A773 HydrophobicContact CD1-CB 4.48Å; L771-A773 HydrophobicContact CD2-CB 3.64Å; L771-A773 HydrophobicContact CG-CB 3.64Å; L771-A773 PolarHBondContact O-N 2.94Å; A773-I776 HydrophobicContact CB-CD1 4.39Å; A773-I776 HydrophobicContact CB-CG1 4.35Å; A773-K795 CarbonylContact O-C 3.56Å; A773-V796 WeakPolarHBondContact O-CA 3.14Å; A773-V796 VanDerWaalsContact O-CG2 3.31Å; A773-V796 WeakPolarHBondContact O-CG2 3.4Å; A773-V796 PolarHBondContact O-N 2.86Å
774	S	74.7	Confident	75.4	Confident	12 Å²	12	42 Å²	42	8%	0.084	22%	0.218	C	C	.	.			trans	-102.4	-31.3	-177.6	65.1	0	0	0	0	110.7	T750 L772 K795 K797 Y798 P850	T750-S774 PolarHBondContact O-N 3.1Å; T750-S774 PolarHBondContact O-OG 3.2Å; L772-S774 PolarHBondContact O-N 3.03Å; S774-K795 WeakPolarHBondContact CA-O 3.46Å; S774-K797 PolarHBondContact O-N 3.47Å; S774-Y798 PolarHBondContact O-N 3.13Å; S774-P850 WeakPolarHBondContact OG-CB 3.49Å
775	H	83.9	Confident	74.8	Confident	9 Å²	9	46.9 Å²	46.9	4%	0.042	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	119	-177.5	-71.5	60.5	0	0	0	109.3	T750 T751 L752 Y798 F848 P850	T750-H775 PolarHBondContact O-N 3.26Å; T751-H775 HydrophobicContact CG2-CB 4.36Å; L752-H775 PolarHBondContact N-O 3.09Å; H775-Y798 WeakPolarHBondContact CD2-CB 3.17Å; H775-Y798 AromaticContact CD2-CD1 3.99Å; H775-Y798 AromaticContact CD2-CG 3.68Å; H775-Y798 WeakPolarHBondContact NE2-CB 3.49Å; H775-F848 AromaticContact NE2-CE2 3.69Å; H775-F848 AromaticContact NE2-CZ 3.82Å; H775-P850 VanDerWaalsContact CE1-CA 3.43Å; H775-P850 WeakPolarHBondContact CE1-CA 3.37Å; H775-P850 WeakPolarHBondContact ND1-CB 3.49Å
776	I	87.1	Confident	74.5	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	117.3	-179.7	-63.2	169.5	0	0	0	107.7	L752 L765 A773 L778 V796 Y798 I799 D800	L752-I776 WeakPolarHBondContact O-CA 3.39Å; L765-I776 HydrophobicContact CD1-CD1 3.92Å; A773-I776 HydrophobicContact CB-CD1 4.39Å; A773-I776 HydrophobicContact CB-CG1 4.35Å; I776-L778 HydrophobicContact CG2-CD1 3.63Å; I776-L778 HydrophobicContact CG2-CG 3.73Å; I776-V796 HydrophobicContact CD1-CG1 4.37Å; I776-V796 HydrophobicContact CD1-CG2 3.7Å; I776-Y798 PolarHBondContact N-O 2.91Å; I776-I799 WeakPolarHBondContact O-CA 3.29Å; I776-D800 PolarHBondContact O-N 3.34Å
777	D	89.5	Confident	74.4	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.011	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	106	176.8	-165.9	-19.1	0	0	0	109.7	L752 R753 A754 H755 A779 K1070	L752-D777 PolarHBondContact O-N 3.38Å; R753-D777 HydrophobicContact CG-CB 4.35Å; R753-D777 IonicContact CZ-OD2 2.68Å; R753-D777 IonicContact NH1-OD2 3.9Å; R753-D777 PolarHBondContact NH1-OD2 2.96Å; R753-D777 IonicContact NH2-OD2 3.71Å; A754-D777 CarbonylContact C-O 3.57Å; A754-D777 PolarHBondContact N-O 3.38Å; H755-D777 WeakPolarHBondContact CB-OD1 3.24Å; H755-D777 IonicContact CD2-OD1 2.76Å; H755-D777 PolarHBondContact CD2-OD1 3.1Å; H755-D777 IonicContact CD2-OD2 2.79Å; H755-D777 PolarHBondContact CD2-OD2 2.83Å; H755-D777 VanDerWaalsContact CD2-OD2 3.3Å; H755-D777 IonicContact CG-OD1 3.62Å; H755-D777 PolarHBondContact N-O 2.95Å; H755-D777 IonicContact NE2-OD2 3.18Å; D777-A779 PolarHBondContact OD1-N 3.15Å; D777-K1070 IonicContact OD1-NZ 3.31Å; D777-K1070 PolarHBondContact OD1-NZ 3.2Å; D777-K1070 IonicContact OD2-NZ 3.75Å; D777-K1070 PolarHBondContact OD2-NZ 3.13Å
778	L	90.6	Very high	74.5	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.231	C	C	.	.			trans	-122.9	15.6	-176.1	-66.2	173.4	0	0	0	111.7	L739 A754 L762 I776 N781 I783 L791 D800 V801 N804	L739-L778 HydrophobicContact CD1-CD2 4.21Å; A754-L778 HydrophobicContact CB-CD2 4.03Å; L762-L778 HydrophobicContact CD1-CD1 3.92Å; L762-L778 HydrophobicContact CD2-CD1 4.24Å; L762-L778 HydrophobicContact CD2-CD2 4.31Å; I776-L778 HydrophobicContact CG2-CD1 3.63Å; I776-L778 HydrophobicContact CG2-CG 3.73Å; L778-N781 PolarHBondContact O-ND2 3.31Å; L778-I783 HydrophobicContact CB-CD1 3.98Å; L778-L791 HydrophobicContact CD1-CD2 4.25Å; L778-D800 PolarHBondContact N-O 2.87Å; L778-V801 HydrophobicContact CB-CG1 4.26Å; L778-N804 PolarHBondContact O-ND2 3.38Å
779	A	88.5	Confident	74.9	Confident	2 Å²	2	47.5 Å²	47.5	2%	0.017	25%	0.247	C	C	.	.			trans	-58.2	161.9	-179.8	0	0	0	0	0	113.3	H755 S756 D777 N781 D800 A802 K1070	H755-A779 CarbonylContact C-O 3.28Å; H755-A779 WeakPolarHBondContact CA-O 3.48Å; H755-A779 HydrophobicContact CB-CB 4.05Å; H755-A779 WeakPolarHBondContact CB-O 3.48Å; S756-A779 PolarHBondContact N-O 2.95Å; D777-A779 PolarHBondContact OD1-N 3.15Å; A779-N781 VanDerWaalsContact C-N 3.34Å; A779-N781 PolarHBondContact O-N 2.83Å; A779-N781 PolarHBondContact O-ND2 2.71Å; A779-D800 PolarHBondContact N-O 2.74Å; A779-A802 CarbonylContact C-O 3.39Å; A779-A802 WeakPolarHBondContact CA-O 3.14Å; A779-A802 WeakPolarHBondContact CB-O 3.23Å; A779-K1070 HydrophobicContact CB-CD 4.24Å; A779-K1070 VanDerWaalsContact CB-CE 3.46Å
780	A	89	Confident	75.7	Confident	19 Å²	19	44.6 Å²	44.6	16%	0.157	23%	0.229	C	C	.	.	S	Bend	trans	48.6	53	175	0	0	0	0	0	113.2	S756 N757 A802 C803 L1067	S756-A780 WeakPolarHBondContact CA-O 3.23Å; S756-A780 PolarHBondContact N-O 3.05Å; N757-A780 PolarHBondContact N-O 2.83Å; A780-A802 PolarHBondContact N-O 3.23Å; A780-C803 WeakPolarHBondContact CA-O 3.31Å; A780-C803 HydrophobicContact CB-CB 4.36Å; A780-L1067 HydrophobicContact CB-CD2 3.42Å; A780-L1067 VanDerWaalsContact CB-CD2 3.42Å
781	N	91.5	Very high	76.5	Confident	12 Å²	12	38.2 Å²	38.2	6%	0.064	20%	0.199	C	C	.	.	S	Bend	trans	-123	-164.2	176.2	-90.2	-65	0	0	0	109.2	A754 N757 V758 I759 L778 A779 I783 N804	A754-N781 PolarHBondContact O-ND2 3.15Å; N757-N781 VanDerWaalsContact CA-OD1 3.32Å; N757-N781 WeakPolarHBondContact CA-OD1 3.5Å; N757-N781 WeakPolarHBondContact CB-OD1 3.27Å; N757-N781 PolarHBondContact N-OD1 2.86Å; N757-N781 PolarHBondContact O-OD1 2.86Å; V758-N781 PolarHBondContact N-OD1 3.01Å; I759-N781 HydrophobicContact CB-CB 4.27Å; I759-N781 VanDerWaalsContact CB-OD1 3.31Å; I759-N781 WeakPolarHBondContact CB-OD1 3.45Å; I759-N781 WeakPolarHBondContact CG1-OD1 3.36Å; I759-N781 PolarHBondContact N-OD1 3.41Å; L778-N781 PolarHBondContact O-ND2 3.31Å; A779-N781 VanDerWaalsContact C-N 3.34Å; A779-N781 PolarHBondContact O-N 2.83Å; A779-N781 PolarHBondContact O-ND2 2.71Å; N781-I783 HydrophobicContact CB-CD1 4.08Å; N781-I783 HydrophobicContact CB-CG1 4.06Å; N781-N804 VanDerWaalsContact CA-OD1 3.31Å; N781-N804 WeakPolarHBondContact CA-OD1 3.38Å; N781-N804 WeakPolarHBondContact CB-OD1 3.42Å; N781-N804 PolarHBondContact N-OD1 2.77Å; N781-N804 PolarHBondContact O-OD1 3.12Å
782	R	90.3	Very high	77	Confident	170 Å²	170	39.2 Å²	39.2	64%	0.642	20%	0.204	S	C	*	.			trans	-119.7	33.4	179.4	-61.7	-175.9	177.8	-171.6	-1	111.6	I759 S760 T784 N804	I759-R782 CarbonylContact O-C 3.56Å; I759-R782 WeakPolarHBondContact O-CA 3.32Å; I759-R782 PolarHBondContact O-N 3.28Å; S760-R782 WeakPolarHBondContact CA-O 3.34Å; R782-T784 PolarHBondContact O-N 3.19Å; R782-N804 PolarHBondContact N-OD1 2.77Å
783	I	85.5	Confident	77.7	Confident	5 Å²	5	36.6 Å²	36.6	3%	0.026	19%	0.19	C	C	.	.			trans	-67.9	118.1	-172.1	-62.7	161.1	0	0	0	109.6	I759 L762 L778 N781 V786 N804 I807	I759-I783 PolarHBondContact O-N 3.06Å; L762-I783 HydrophobicContact CD1-CD1 3.86Å; L762-I783 HydrophobicContact CD1-CG1 4.17Å; L762-I783 HydrophobicContact CD1-CG2 4.14Å; L778-I783 HydrophobicContact CB-CD1 3.98Å; N781-I783 HydrophobicContact CB-CD1 4.08Å; N781-I783 HydrophobicContact CB-CG1 4.06Å; I783-V786 HydrophobicContact CG2-CB 4.07Å; I783-V786 HydrophobicContact CG2-CG2 3.77Å; I783-N804 HydrophobicContact CB-CB 4.44Å; I783-N804 WeakPolarHBondContact CB-OD1 3.42Å; I783-N804 WeakPolarHBondContact CD1-OD1 3.36Å; I783-N804 WeakPolarHBondContact CG1-OD1 3.23Å; I783-N804 PolarHBondContact N-OD1 2.92Å; I783-N804 VanDerWaalsContact N-OD1 3.08Å; I783-I807 HydrophobicContact CB-CD1 4.33Å; I783-I807 HydrophobicContact CG2-CD1 4.17Å
784	T	77.2	Confident	78.2	Confident	67 Å²	67	39.4 Å²	39.4	41%	0.411	21%	0.208	S	C	.	.			trans	-122.6	141.3	-179.7	49.8	0	0	0	0	110.2	R782 V786 A806	R782-T784 PolarHBondContact O-N 3.19Å; T784-V786 PolarHBondContact O-N 3.35Å; T784-A806 HydrophobicContact CG2-CB 3.7Å
785	D	67.4	Low	78.2	Confident	158 Å²	158	43.8 Å²	43.8	85%	0.845	23%	0.226	S	C	*	.	S	Bend	trans	54.4	20.3	166.9	-53.2	-46.4	0	0	0	116.8	P787	D785-P787 VanDerWaalsContact O-CD 3.3Å; D785-P787 WeakPolarHBondContact O-CD 3.42Å
786	V	68.7	Low	77.8	Confident	26 Å²	26	43.4 Å²	43.4	16%	0.158	22%	0.224	C	C	.	.			trans	-81.7	115.3	172.4	178.1	0	0	0	0	108.8	L762 I783 T784 I788 R790	L762-V786 HydrophobicContact CB-CG2 4.5Å; L762-V786 HydrophobicContact CD1-CG1 4.49Å; L762-V786 HydrophobicContact CD1-CG2 4.48Å; I783-V786 HydrophobicContact CG2-CB 4.07Å; I783-V786 HydrophobicContact CG2-CG2 3.77Å; T784-V786 PolarHBondContact O-N 3.35Å; V786-I788 PolarHBondContact O-N 3.37Å; V786-I788 VanDerWaalsContact O-N 3.14Å; V786-R790 HydrophobicContact CG1-CB 4.25Å
787	P	67.8	Low	77.3	Confident	62 Å²	62	46.9 Å²	46.9	40%	0.403	24%	0.239	S	C	.	.			trans	-59.9	122.8	175.3	-22	33.9	0	0	0	109.4	D785 S789 R790	D785-P787 VanDerWaalsContact O-CD 3.3Å; D785-P787 WeakPolarHBondContact O-CD 3.42Å; P787-S789 PolarHBondContact O-N 2.92Å; P787-R790 VanDerWaalsContact O-CB 3.3Å; P787-R790 WeakPolarHBondContact O-CB 3.34Å; P787-R790 WeakPolarHBondContact O-CG 3.15Å; P787-R790 PolarHBondContact O-N 3.48Å
788	I	67.3	Low	76.8	Confident	16 Å²	16	47.4 Å²	47.4	8%	0.082	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-60.7	-23.7	-169	-101.4	-167.1	0	0	0	113.5	V786 R790 L791 I807 D811 L815 L818	V786-I788 PolarHBondContact O-N 3.37Å; V786-I788 VanDerWaalsContact O-N 3.14Å; I788-R790 PolarHBondContact O-N 2.97Å; I788-R790 VanDerWaalsContact O-N 3.16Å; I788-L791 HydrophobicContact CG1-CD1 4.23Å; I788-L791 WeakPolarHBondContact O-CB 3.2Å; I788-L791 PolarHBondContact O-N 2.9Å; I788-I807 HydrophobicContact CD1-CG2 4.06Å; I788-D811 HydrophobicContact CD1-CB 3.63Å; I788-D811 HydrophobicContact CG1-CB 4.25Å; I788-L815 HydrophobicContact CD1-CD1 3.89Å; I788-L815 HydrophobicContact CD1-CG 3.9Å; I788-L815 HydrophobicContact CG2-CD2 3.61Å; I788-L815 HydrophobicContact CG2-CG 3.58Å; I788-L818 HydrophobicContact CG2-CD1 4.44Å
789	S	68.9	Low	76.4	Confident	69 Å²	69	47.4 Å²	47.4	48%	0.483	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-53.8	-28.6	169	54.2	0	0	0	0	113.7	A766 P787 L791 M792	A766-S789 WeakPolarHBondContact CB-O 3.39Å; P787-S789 PolarHBondContact O-N 2.92Å; S789-L791 PolarHBondContact O-N 3.45Å; S789-M792 PolarHBondContact O-N 2.75Å
790	R	75	Confident	76.1	Confident	108 Å²	108	47.4 Å²	47.4	41%	0.408	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-68.9	-17.1	175.9	-63.7	-171.6	-178.2	178	2.5	114.3	N764 L765 A766 V786 P787 I788	N764-R790 WeakPolarHBondContact OD1-CA 3.42Å; N764-R790 WeakPolarHBondContact OD1-CB 3.2Å; N764-R790 PolarHBondContact OD1-O 2.93Å; L765-R790 WeakPolarHBondContact CA-O 3.26Å; L765-R790 WeakPolarHBondContact CB-O 3.46Å; L765-R790 PolarHBondContact N-O 3.17Å; A766-R790 PolarHBondContact N-O 3.48Å; V786-R790 HydrophobicContact CG1-CB 4.25Å; P787-R790 VanDerWaalsContact O-CB 3.3Å; P787-R790 WeakPolarHBondContact O-CB 3.34Å; P787-R790 WeakPolarHBondContact O-CG 3.15Å; P787-R790 PolarHBondContact O-N 3.48Å; I788-R790 PolarHBondContact O-N 2.97Å; I788-R790 VanDerWaalsContact O-N 3.16Å
791	L	71.2	Confident	75.8	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.021	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-88.7	-15.7	176.7	-55.6	179.2	0	0	0	112.7	L762 L765 L778 I788 S789 A793 I799 V801	L762-L791 HydrophobicContact CD1-CD2 3.78Å; L765-L791 HydrophobicContact CD1-CD2 4.32Å; L778-L791 HydrophobicContact CD1-CD2 4.25Å; I788-L791 HydrophobicContact CG1-CD1 4.23Å; I788-L791 WeakPolarHBondContact O-CB 3.2Å; I788-L791 PolarHBondContact O-N 2.9Å; S789-L791 PolarHBondContact O-N 3.45Å; L791-A793 VanDerWaalsContact C-N 3.32Å; L791-A793 PolarHBondContact O-N 2.79Å; L791-I799 HydrophobicContact CB-CD1 4.12Å; L791-V801 HydrophobicContact CD1-CG1 4.08Å
792	M	70.3	Confident	75.2	Confident	25 Å²	25	46.2 Å²	46.2	12%	0.123	23%	0.232	C	C	.	.			trans	-84	63.8	-171.3	-68.9	-82.5	82.4	0	0	113.1	S789 I799 L815 L818 V824	S789-M792 PolarHBondContact O-N 2.75Å; M792-I799 HydrophobicContact CE-CD1 3.39Å; M792-I799 HydrophobicContact CE-CG1 4.42Å; M792-L815 HydrophobicContact CE-CD2 3.49Å; M792-L815 VanDerWaalsContact CE-CD2 3.49Å; M792-L815 HydrophobicContact CG-CD2 4.03Å; M792-L815 HydrophobicContact SD-CD2 3.65Å; M792-L818 HydrophobicContact CG-CD1 4.34Å; M792-L818 HydrophobicContact SD-CB 4.43Å; M792-V824 HydrophobicContact CE-CG1 4.49Å
793	A	70.4	Confident	74.6	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.214	C	C	.	.			trans	-66	153.1	174	0	0	0	0	0	112.4	L765 L771 L791 K795 V796	L765-A793 HydrophobicContact CB-CB 4.44Å; L765-A793 WeakPolarHBondContact O-CB 3.46Å; L771-A793 HydrophobicContact CD2-CB 4Å; L791-A793 VanDerWaalsContact C-N 3.32Å; L791-A793 PolarHBondContact O-N 2.79Å; A793-K795 PolarHBondContact O-N 2.66Å; A793-V796 HydrophobicContact CB-CG2 3.79Å; A793-V796 WeakPolarHBondContact O-CG2 3.44Å; A793-V796 PolarHBondContact O-N 2.79Å
794	P	67.6	Low	74.4	Confident	60 Å²	60	39.8 Å²	39.8	39%	0.39	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.2	-165.5	-28.8	37.9	0	0	0	116.3	R819	P794-R819 VanDerWaalsContact C-NH2 3.29Å; P794-R819 PolarHBondContact O-NH1 3.5Å; P794-R819 PolarHBondContact O-NH2 2.91Å
795	K	74	Confident	74.1	Confident	104 Å²	104	43.7 Å²	43.7	45%	0.452	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114	7.7	-174.2	-71	167.5	-177.6	161.9	0	114.6	L772 A773 S774 A793 K797	L772-K795 HydrophobicContact CD2-CD 3.65Å; A773-K795 CarbonylContact O-C 3.56Å; S774-K795 WeakPolarHBondContact CA-O 3.46Å; A793-K795 PolarHBondContact O-N 2.66Å; K795-K797 PolarHBondContact O-N 2.87Å
796	V	76.5	Confident	74.3	Confident	1 Å²	1	39 Å²	39	1%	0.006	22%	0.215	C	C	.	.			trans	-63.7	130.4	179.5	-173.3	0	0	0	0	110.9	A773 I776 A793 I799 R819	A773-V796 WeakPolarHBondContact O-CA 3.14Å; A773-V796 VanDerWaalsContact O-CG2 3.31Å; A773-V796 WeakPolarHBondContact O-CG2 3.4Å; A773-V796 PolarHBondContact O-N 2.86Å; I776-V796 HydrophobicContact CD1-CG1 4.37Å; I776-V796 HydrophobicContact CD1-CG2 3.7Å; A793-V796 HydrophobicContact CB-CG2 3.79Å; A793-V796 WeakPolarHBondContact O-CG2 3.44Å; A793-V796 PolarHBondContact O-N 2.79Å; V796-I799 HydrophobicContact CG1-CD1 3.92Å; V796-I799 HydrophobicContact CG1-CG1 3.45Å; V796-I799 VanDerWaalsContact CG1-CG1 3.45Å; V796-R819 PolarHBondContact O-NH1 2.9Å
797	K	75.2	Confident	74.3	Confident	74 Å²	74	39.2 Å²	39.2	32%	0.322	21%	0.214	S	C	.	.			trans	-113	-26.2	172.9	-69.9	-176.9	174.2	-179.3	0	112.5	S774 K795 V824 S825 P850 S851 S852	S774-K797 PolarHBondContact O-N 3.47Å; K795-K797 PolarHBondContact O-N 2.87Å; K797-V824 CarbonylContact O-C 3.27Å; K797-V824 WeakPolarHBondContact O-CA 3.38Å; K797-S825 PolarHBondContact O-N 3.43Å; K797-P850 PolarHBondContact NZ-O 3.13Å; K797-S851 PolarHBondContact NZ-O 2.85Å; K797-S852 PolarHBondContact NZ-O 2.95Å
798	Y	79.2	Confident	74.2	Confident	13 Å²	13	38.5 Å²	38.5	5%	0.051	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	127.2	-174.4	-179.4	-82.9	0	0	0	110.3	S774 H775 I776 D800 S825 V827 F848	S774-Y798 PolarHBondContact O-N 3.13Å; H775-Y798 WeakPolarHBondContact CD2-CB 3.17Å; H775-Y798 AromaticContact CD2-CD1 3.99Å; H775-Y798 AromaticContact CD2-CG 3.68Å; H775-Y798 WeakPolarHBondContact NE2-CB 3.49Å; I776-Y798 PolarHBondContact N-O 2.91Å; Y798-D800 HydrophobicContact CE1-CB 3.84Å; Y798-S825 WeakPolarHBondContact CA-O 3.25Å; Y798-V827 HydrophobicContact CE2-CG2 3.93Å; Y798-V827 WeakPolarHBondContact OH-CG2 3.13Å; Y798-F848 AromaticContact CD2-CE1 3.89Å; Y798-F848 HydrophobicContact CD2-CE1 3.89Å; Y798-F848 HydrophobicContact CD2-CZ 4.11Å; Y798-F848 HydrophobicContact CE2-CE1 4.22Å
799	I	82	Confident	74	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130.9	168.1	-61	-167.7	0	0	0	109.4	I776 L791 M792 V796 V801 L815 S825 V826 V827	I776-I799 WeakPolarHBondContact O-CA 3.29Å; L791-I799 HydrophobicContact CB-CD1 4.12Å; M792-I799 HydrophobicContact CE-CD1 3.39Å; M792-I799 HydrophobicContact CE-CG1 4.42Å; V796-I799 HydrophobicContact CG1-CD1 3.92Å; V796-I799 HydrophobicContact CG1-CG1 3.45Å; V796-I799 VanDerWaalsContact CG1-CG1 3.45Å; I799-V801 HydrophobicContact CG2-CG1 3.7Å; I799-V801 HydrophobicContact CG2-CG2 4.29Å; I799-L815 HydrophobicContact CD1-CD2 4.4Å; I799-S825 PolarHBondContact N-O 3.49Å; I799-V826 WeakPolarHBondContact O-CA 3.36Å; I799-V827 PolarHBondContact O-N 3.4Å; I799-V827 VanDerWaalsContact O-N 3.08Å
800	D	82.8	Confident	73.6	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.011	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.2	160.3	-166.5	-15.6	0	0	0	109.7	I776 L778 A779 Y798 A802 V827 K1070	I776-D800 PolarHBondContact O-N 3.34Å; L778-D800 PolarHBondContact N-O 2.87Å; A779-D800 PolarHBondContact N-O 2.74Å; Y798-D800 HydrophobicContact CE1-CB 3.84Å; D800-A802 VanDerWaalsContact OD1-CB 3.3Å; D800-A802 WeakPolarHBondContact OD1-CB 3.46Å; D800-A802 PolarHBondContact OD1-N 3.39Å; D800-V827 HydrophobicContact CB-CB 4.13Å; D800-K1070 VanDerWaalsContact OD2-CE 3.29Å; D800-K1070 WeakPolarHBondContact OD2-CE 3.4Å; D800-K1070 IonicContact OD2-NZ 3.86Å; D800-K1070 PolarHBondContact OD2-NZ 3.23Å
801	V	82.6	Confident	73.2	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.024	23%	0.232	C	C	.	.			trans	-129.8	12.7	175.5	-73.9	0	0	0	0	111.2	L778 L791 I799 N804 I807	L778-V801 HydrophobicContact CB-CG1 4.26Å; L791-V801 HydrophobicContact CD1-CG1 4.08Å; I799-V801 HydrophobicContact CG2-CG1 3.7Å; I799-V801 HydrophobicContact CG2-CG2 4.29Å; V801-N804 PolarHBondContact O-ND2 2.94Å; V801-I807 HydrophobicContact CB-CD1 4.08Å; V801-I807 HydrophobicContact CG2-CD1 4.5Å
802	A	79	Confident	72.8	Confident	3 Å²	3	42.2 Å²	42.2	3%	0.025	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	155.7	-176.8	0	0	0	0	0	112.4	A779 A780 D800 N804 I829	A779-A802 CarbonylContact C-O 3.39Å; A779-A802 WeakPolarHBondContact CA-O 3.14Å; A779-A802 WeakPolarHBondContact CB-O 3.23Å; A780-A802 PolarHBondContact N-O 3.23Å; D800-A802 VanDerWaalsContact OD1-CB 3.3Å; D800-A802 WeakPolarHBondContact OD1-CB 3.46Å; D800-A802 PolarHBondContact OD1-N 3.39Å; A802-N804 PolarHBondContact O-N 2.95Å; A802-I829 HydrophobicContact CB-CB 3.91Å; A802-I829 HydrophobicContact CB-CD1 3.92Å; A802-I829 HydrophobicContact CB-CG1 3.67Å
803	C	78.2	Confident	72.7	Confident	37 Å²	37	47 Å²	47	25%	0.25	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	33.2	-177.9	-47.5	0	0	0	0	114	A780 N830	A780-C803 WeakPolarHBondContact CA-O 3.31Å; A780-C803 HydrophobicContact CB-CB 4.36Å; C803-N830 WeakPolarHBondContact CA-OD1 3.23Å; C803-N830 PolarHBondContact N-OD1 3.29Å; C803-N830 PolarHBondContact SG-OD1 3.35Å
804	N	81.1	Confident	72.5	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.016	28%	0.278	C	S	.	.			trans	-104.8	95.8	159.3	-76.6	-87.5	0	0	0	107.5	L778 N781 R782 I783 V801 A802 A806 I807	L778-N804 PolarHBondContact O-ND2 3.38Å; N781-N804 VanDerWaalsContact CA-OD1 3.31Å; N781-N804 WeakPolarHBondContact CA-OD1 3.38Å; N781-N804 WeakPolarHBondContact CB-OD1 3.42Å; N781-N804 PolarHBondContact N-OD1 2.77Å; N781-N804 PolarHBondContact O-OD1 3.12Å; R782-N804 PolarHBondContact N-OD1 2.77Å; I783-N804 HydrophobicContact CB-CB 4.44Å; I783-N804 WeakPolarHBondContact CB-OD1 3.42Å; I783-N804 WeakPolarHBondContact CD1-OD1 3.36Å; I783-N804 WeakPolarHBondContact CG1-OD1 3.23Å; I783-N804 PolarHBondContact N-OD1 2.92Å; I783-N804 VanDerWaalsContact N-OD1 3.08Å; V801-N804 PolarHBondContact O-ND2 2.94Å; A802-N804 PolarHBondContact O-N 2.95Å; N804-A806 PolarHBondContact O-N 3.44Å; N804-I807 HydrophobicContact CB-CD1 3.7Å; N804-I807 HydrophobicContact CB-CG1 3.92Å; N804-I807 PolarHBondContact O-N 3.33Å
805	D	70.7	Confident	72.4	Confident	149 Å²	149	49 Å²	49	80%	0.797	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.8	-162.7	-58.2	-31.3	0	0	0	115.3
806	A	71.3	Confident	71.9	Confident	59 Å²	59	48 Å²	48	49%	0.488	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-8.3	178.4	0	0	0	0	0	114.5	T784 N804 A808	T784-A806 HydrophobicContact CG2-CB 3.7Å; N804-A806 PolarHBondContact O-N 3.44Å; A806-A808 PolarHBondContact O-N 2.91Å
807	I	70.1	Confident	71.4	Confident	30 Å²	30	51.9 Å²	51.9	15%	0.154	29%	0.288	C	S	.	.	S	Bend	trans	-80.3	116.8	174.8	-59.8	-178.2	0	0	0	108.4	I783 I788 V801 N804 I812	I783-I807 HydrophobicContact CB-CD1 4.33Å; I783-I807 HydrophobicContact CG2-CD1 4.17Å; I788-I807 HydrophobicContact CD1-CG2 4.06Å; V801-I807 HydrophobicContact CB-CD1 4.08Å; V801-I807 HydrophobicContact CG2-CD1 4.5Å; N804-I807 HydrophobicContact CB-CD1 3.7Å; N804-I807 HydrophobicContact CB-CG1 3.92Å; N804-I807 PolarHBondContact O-N 3.33Å; I807-I812 HydrophobicContact CG2-CG1 4.22Å
808	A	64.1	Low	70.9	Confident	47 Å²	47	53.2 Å²	53.2	39%	0.388	30%	0.297	S	S	.	.			trans	-73.4	143.7	-177.5	0	0	0	0	0	111.5	A806 Q810 D811 I812	A806-A808 PolarHBondContact O-N 2.91Å; A808-Q810 PolarHBondContact O-N 3.38Å; A808-Q810 VanDerWaalsContact O-N 3.08Å; A808-D811 WeakPolarHBondContact CB-OD2 3.42Å; A808-D811 WeakPolarHBondContact O-CB 3.41Å; A808-D811 PolarHBondContact O-N 3.06Å; A808-I812 PolarHBondContact O-N 3.26Å
809	V	62.9	Low	70	Confident	58 Å²	58	56.5 Å²	56.5	35%	0.352	31%	0.31	S	S	.	.	H	α-helix	trans	-54.9	-31.2	175.9	178.9	0	0	0	0	111.9	D811 I812 H813 N831	V809-D811 VanDerWaalsContact C-N 3.27Å; V809-D811 PolarHBondContact O-N 3.08Å; V809-I812 PolarHBondContact O-N 2.89Å; V809-H813 PolarHBondContact O-CD2 2.88Å; V809-H813 PolarHBondContact O-N 3.29Å; V809-H813 VanDerWaalsContact O-N 3.09Å; V809-N831 VanDerWaalsContact CG1-ND2 3.27Å; V809-N831 WeakPolarHBondContact CG1-ND2 3.3Å; V809-N831 VanDerWaalsContact CG2-ND2 3.29Å; V809-N831 WeakPolarHBondContact CG2-ND2 3.25Å
810	Q	60.9	Low	68.9	Low	150 Å²	150	63.1 Å²	63.1	70%	0.701	35%	0.345	S	S	*	.	H	α-helix	trans	-64.3	-29.2	176.4	-61.1	-175.6	12.5	0	0	112.8	A808 Q814	A808-Q810 PolarHBondContact O-N 3.38Å; A808-Q810 VanDerWaalsContact O-N 3.08Å; Q810-Q814 WeakPolarHBondContact O-CG 3.47Å; Q810-Q814 PolarHBondContact O-N 3.34Å; Q810-Q814 PolarHBondContact O-NE2 2.92Å; Q810-Q814 VanDerWaalsContact O-NE2 3.07Å
811	D	67.2	Low	67.5	Low	55 Å²	55	70.8 Å²	70.8	29%	0.294	38%	0.381	S	S	.	.	H	α-helix	trans	-80	-32.2	177.1	-51.3	-46.8	0	0	0	111.1	I788 A808 V809 H813 Q814 L815	I788-D811 HydrophobicContact CD1-CB 3.63Å; I788-D811 HydrophobicContact CG1-CB 4.25Å; A808-D811 WeakPolarHBondContact CB-OD2 3.42Å; A808-D811 WeakPolarHBondContact O-CB 3.41Å; A808-D811 PolarHBondContact O-N 3.06Å; V809-D811 VanDerWaalsContact C-N 3.27Å; V809-D811 PolarHBondContact O-N 3.08Å; D811-H813 VanDerWaalsContact C-N 3.3Å; D811-H813 PolarHBondContact O-N 2.72Å; D811-Q814 WeakPolarHBondContact O-CA 3.37Å; D811-Q814 WeakPolarHBondContact O-CB 3.44Å; D811-Q814 PolarHBondContact O-N 3.07Å; D811-Q814 VanDerWaalsContact O-N 3.08Å; D811-Q814 PolarHBondContact OD1-NE2 2.81Å; D811-L815 PolarHBondContact O-N 3.13Å
812	I	63.6	Low	66.1	Low	13 Å²	13	80.8 Å²	80.8	7%	0.067	42%	0.424	C	S	.	.	H	α-helix	trans	-64.2	-35.5	171	-59.2	177.7	0	0	0	110.9	I807 A808 V809 L815 K816 V826 D828	I807-I812 HydrophobicContact CG2-CG1 4.22Å; A808-I812 PolarHBondContact O-N 3.26Å; V809-I812 PolarHBondContact O-N 2.89Å; I812-L815 WeakPolarHBondContact O-CB 3.47Å; I812-L815 PolarHBondContact O-N 2.83Å; I812-K816 PolarHBondContact O-N 3.31Å; I812-V826 HydrophobicContact CG2-CG1 4.05Å; I812-D828 HydrophobicContact CD1-CB 4.33Å; I812-D828 HydrophobicContact CG2-CB 4.23Å
813	H	66.3	Low	65.2	Low	124 Å²	124	83 Å²	83	57%	0.574	44%	0.44	S	S	*	.	H	α-helix	trans	-68.6	-34.5	169.8	-73.9	-68.2	0	0	0	112.7	V809 D811 K816 A817	V809-H813 PolarHBondContact O-CD2 2.88Å; V809-H813 PolarHBondContact O-N 3.29Å; V809-H813 VanDerWaalsContact O-N 3.09Å; D811-H813 VanDerWaalsContact C-N 3.3Å; D811-H813 PolarHBondContact O-N 2.72Å; H813-K816 PolarHBondContact O-N 3.35Å; H813-A817 PolarHBondContact O-N 2.72Å
814	Q	67.4	Low	64.7	Low	100 Å²	100	82 Å²	82	47%	0.467	43%	0.433	S	S	.	.	H	α-helix	trans	-65.5	-38.1	173.3	-71.1	165	73.2	0	0	112.2	Q810 D811 K816 A817 L818	Q810-Q814 WeakPolarHBondContact O-CG 3.47Å; Q810-Q814 PolarHBondContact O-N 3.34Å; Q810-Q814 PolarHBondContact O-NE2 2.92Å; Q810-Q814 VanDerWaalsContact O-NE2 3.07Å; D811-Q814 WeakPolarHBondContact O-CA 3.37Å; D811-Q814 WeakPolarHBondContact O-CB 3.44Å; D811-Q814 PolarHBondContact O-N 3.07Å; D811-Q814 VanDerWaalsContact O-N 3.08Å; D811-Q814 PolarHBondContact OD1-NE2 2.81Å; Q814-K816 VanDerWaalsContact C-N 3.31Å; Q814-K816 PolarHBondContact O-N 3.47Å; Q814-A817 PolarHBondContact O-N 2.9Å; Q814-A817 VanDerWaalsContact O-N 3.09Å; Q814-L818 VanDerWaalsContact O-CG 3.28Å; Q814-L818 WeakPolarHBondContact O-CG 3.22Å; Q814-L818 PolarHBondContact O-N 2.77Å
815	L	64.4	Low	64.1	Low	3 Å²	3	84.6 Å²	84.6	2%	0.016	45%	0.45	C	S	.	.	H	α-helix	trans	-51.8	-49.7	170.9	-84.9	174.3	0	0	0	111.7	I788 M792 I799 D811 I812 A817 L818 V826	I788-L815 HydrophobicContact CD1-CD1 3.89Å; I788-L815 HydrophobicContact CD1-CG 3.9Å; I788-L815 HydrophobicContact CG2-CD2 3.61Å; I788-L815 HydrophobicContact CG2-CG 3.58Å; M792-L815 HydrophobicContact CE-CD2 3.49Å; M792-L815 VanDerWaalsContact CE-CD2 3.49Å; M792-L815 HydrophobicContact CG-CD2 4.03Å; M792-L815 HydrophobicContact SD-CD2 3.65Å; I799-L815 HydrophobicContact CD1-CD2 4.4Å; D811-L815 PolarHBondContact O-N 3.13Å; I812-L815 WeakPolarHBondContact O-CB 3.47Å; I812-L815 PolarHBondContact O-N 2.83Å; L815-A817 PolarHBondContact O-N 3.18Å; L815-L818 PolarHBondContact O-N 3.49Å; L815-V826 HydrophobicContact CB-CG2 4.11Å; L815-V826 HydrophobicContact CD1-CG1 3.65Å; L815-V826 HydrophobicContact CD1-CG2 4.15Å
816	K	64.6	Low	64	Low	84 Å²	84	78.1 Å²	78.1	37%	0.365	42%	0.417	S	S	.	.	H	α-helix	trans	-69.6	-16.2	-178	-66.2	-179.2	-180	177.5	0	113.4	I812 H813 Q814 V826	I812-K816 PolarHBondContact O-N 3.31Å; H813-K816 PolarHBondContact O-N 3.35Å; Q814-K816 VanDerWaalsContact C-N 3.31Å; Q814-K816 PolarHBondContact O-N 3.47Å; K816-V826 HydrophobicContact CG-CB 4.47Å; K816-V826 HydrophobicContact CG-CG2 4.37Å
817	A	66.6	Low	63.7	Low	82 Å²	82	77 Å²	77	68%	0.678	40%	0.403	S	S	*	.	H	α-helix	trans	-97.2	-20.9	176	0	0	0	0	0	114.1	H813 Q814 L815 R819	H813-A817 PolarHBondContact O-N 2.72Å; Q814-A817 PolarHBondContact O-N 2.9Å; Q814-A817 VanDerWaalsContact O-N 3.09Å; L815-A817 PolarHBondContact O-N 3.18Å; A817-R819 PolarHBondContact O-N 3.36Å
818	L	64.2	Low	63.5	Low	101 Å²	101	76.6 Å²	76.6	53%	0.529	40%	0.402	S	S	.	.	S	Bend	trans	-74.5	-10.4	-179	-79.2	166.5	0	0	0	113.9	I788 M792 Q814 L815	I788-L818 HydrophobicContact CG2-CD1 4.44Å; M792-L818 HydrophobicContact CG-CD1 4.34Å; M792-L818 HydrophobicContact SD-CB 4.43Å; Q814-L818 VanDerWaalsContact O-CG 3.28Å; Q814-L818 WeakPolarHBondContact O-CG 3.22Å; Q814-L818 PolarHBondContact O-N 2.77Å; L815-L818 PolarHBondContact O-N 3.49Å
819	R	59.6	Low	63.3	Low	82 Å²	82	74.9 Å²	74.9	31%	0.309	39%	0.386	S	S	.	.	S	Bend	trans	-144.2	163.9	169.8	-66.5	-177.5	161.8	-148.8	-16	109.4	P794 V796 A817 E821 S823 V824	P794-R819 VanDerWaalsContact C-NH2 3.29Å; P794-R819 PolarHBondContact O-NH1 3.5Å; P794-R819 PolarHBondContact O-NH2 2.91Å; V796-R819 PolarHBondContact O-NH1 2.9Å; A817-R819 PolarHBondContact O-N 3.36Å; R819-E821 PolarHBondContact O-N 3.45Å; R819-S823 WeakPolarHBondContact CB-OG 3.43Å; R819-V824 HydrophobicContact CB-CG2 4.48Å; R819-V824 VanDerWaalsContact CD-CG2 3.48Å
820	D	58.8	Low	62.8	Low	140 Å²	140	75.1 Å²	75.1	75%	0.749	39%	0.385	S	S	*	.			trans	-51	128.8	168	-83.3	-45.8	0	0	0	110	K822 S823	D820-K822 PolarHBondContact O-N 2.9Å; D820-S823 WeakPolarHBondContact O-CB 3.37Å; D820-S823 PolarHBondContact O-N 3.37Å; D820-S823 PolarHBondContact O-OG 3.26Å
821	E	53.7	Low	62.3	Low	163 Å²	163	72.3 Å²	72.3	76%	0.762	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-19.9	-174.6	-63.5	-177.5	126.4	0	0	114.3	R819	R819-E821 PolarHBondContact O-N 3.45Å
822	K	52.5	Low	61.4	Low	213 Å²	213	74.6 Å²	74.6	93%	0.926	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-3.7	-179.9	-61	-178.3	-179.9	179.1	0	114.3	D820	D820-K822 PolarHBondContact O-N 2.9Å
823	S	61.9	Low	60.8	Low	51 Å²	51	76.1 Å²	76.1	36%	0.357	39%	0.392	S	S	.	.	S	Bend	trans	-107.2	-19.6	-170.4	68	0	0	0	0	115	R819 D820	R819-S823 WeakPolarHBondContact CB-OG 3.43Å; D820-S823 WeakPolarHBondContact O-CB 3.37Å; D820-S823 PolarHBondContact O-N 3.37Å; D820-S823 PolarHBondContact O-OG 3.26Å
824	V	66.7	Low	60.1	Low	16 Å²	16	75 Å²	75	10%	0.097	39%	0.385	C	S	.	.			trans	-133.8	119.2	175.5	-174.6	0	0	0	0	110.3	M792 K797 R819 V826	M792-V824 HydrophobicContact CE-CG1 4.49Å; K797-V824 CarbonylContact O-C 3.27Å; K797-V824 WeakPolarHBondContact O-CA 3.38Å; R819-V824 HydrophobicContact CB-CG2 4.48Å; R819-V824 VanDerWaalsContact CD-CG2 3.48Å; V824-V826 HydrophobicContact CG1-CG2 3.87Å
825	S	68.5	Low	59.4	Low	56 Å²	56	72.7 Å²	72.7	39%	0.392	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	127.1	164.3	-170.6	0	0	0	0	109.3	K797 Y798 I799	K797-S825 PolarHBondContact O-N 3.43Å; Y798-S825 WeakPolarHBondContact CA-O 3.25Å; I799-S825 PolarHBondContact N-O 3.49Å
826	V	69	Low	58.8	Low	14 Å²	14	78.9 Å²	78.9	9%	0.085	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	115.4	176.5	-178	0	0	0	0	108.1	I799 I812 L815 K816 V824	I799-V826 WeakPolarHBondContact O-CA 3.36Å; I812-V826 HydrophobicContact CG2-CG1 4.05Å; L815-V826 HydrophobicContact CB-CG2 4.11Å; L815-V826 HydrophobicContact CD1-CG1 3.65Å; L815-V826 HydrophobicContact CD1-CG2 4.15Å; K816-V826 HydrophobicContact CG-CB 4.47Å; K816-V826 HydrophobicContact CG-CG2 4.37Å; V824-V826 HydrophobicContact CG1-CG2 3.87Å
827	V	65.5	Low	58.5	Low	35 Å²	35	81.1 Å²	81.1	21%	0.212	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	125.5	179.2	175.7	0	0	0	0	110.1	Y798 I799 D800 I829	Y798-V827 HydrophobicContact CE2-CG2 3.93Å; Y798-V827 WeakPolarHBondContact OH-CG2 3.13Å; I799-V827 PolarHBondContact O-N 3.4Å; I799-V827 VanDerWaalsContact O-N 3.08Å; D800-V827 HydrophobicContact CB-CB 4.13Å; V827-I829 HydrophobicContact CG1-CD1 4.37Å; V827-I829 HydrophobicContact CG1-CG1 3.89Å
828	D	64.9	Low	58.7	Low	22 Å²	22	78.4 Å²	78.4	12%	0.118	40%	0.401	C	S	.	.			trans	-129.1	104.4	172.8	176.6	3.8	0	0	0	108.5	I812 N830 N831	I812-D828 HydrophobicContact CD1-CB 4.33Å; I812-D828 HydrophobicContact CG2-CB 4.23Å; D828-N830 WeakPolarHBondContact OD1-CB 3.45Å; D828-N830 PolarHBondContact OD1-N 3.34Å; D828-N831 PolarHBondContact OD1-N 3.26Å; D828-N831 PolarHBondContact OD2-ND2 2.9Å
829	I	59.2	Low	59.4	Low	10 Å²	10	76.6 Å²	76.6	5%	0.051	39%	0.392	C	S	.	.			trans	-85.8	-20.6	176.9	-52.8	174.4	0	0	0	110.3	A802 V827 N831 E832 F834	A802-I829 HydrophobicContact CB-CB 3.91Å; A802-I829 HydrophobicContact CB-CD1 3.92Å; A802-I829 HydrophobicContact CB-CG1 3.67Å; V827-I829 HydrophobicContact CG1-CD1 4.37Å; V827-I829 HydrophobicContact CG1-CG1 3.89Å; I829-N831 VanDerWaalsContact C-N 3.33Å; I829-N831 PolarHBondContact O-N 3.18Å; I829-E832 PolarHBondContact O-N 2.89Å; I829-F834 HydrophobicContact CG2-CE2 4.34Å; I829-F834 VanDerWaalsContact O-CE2 3.31Å; I829-F834 WeakPolarHBondContact O-CE2 3.49Å
830	N	52.3	Low	60.6	Low	64 Å²	64	73.7 Å²	73.7	34%	0.342	38%	0.381	S	S	.	.	S	Bend	trans	-72.8	-26.2	-170.6	-71	15.7	0	0	0	112.4	C803 D828	C803-N830 WeakPolarHBondContact CA-OD1 3.23Å; C803-N830 PolarHBondContact N-OD1 3.29Å; C803-N830 PolarHBondContact SG-OD1 3.35Å; D828-N830 WeakPolarHBondContact OD1-CB 3.45Å; D828-N830 PolarHBondContact OD1-N 3.34Å
831	N	50.6	Low	61.9	Low	90 Å²	90	71.2 Å²	71.2	48%	0.481	36%	0.364	S	S	.	.	S	Bend	trans	-94.5	-21.7	175.5	-78.9	-64.8	0	0	0	115.3	V809 D828 I829 I833	V809-N831 VanDerWaalsContact CG1-ND2 3.27Å; V809-N831 WeakPolarHBondContact CG1-ND2 3.3Å; V809-N831 VanDerWaalsContact CG2-ND2 3.29Å; V809-N831 WeakPolarHBondContact CG2-ND2 3.25Å; D828-N831 PolarHBondContact OD1-N 3.26Å; D828-N831 PolarHBondContact OD2-ND2 2.9Å; I829-N831 VanDerWaalsContact C-N 3.33Å; I829-N831 PolarHBondContact O-N 3.18Å; N831-I833 PolarHBondContact O-N 3.42Å
832	E	49.8	Very low	63.5	Low	104 Å²	104	64 Å²	64	49%	0.486	33%	0.331	S	S	.	.	S	Bend	trans	-93	98.8	-167.7	-71	-163.9	172.6	0	0	114.2	I829 K861	I829-E832 PolarHBondContact O-N 2.89Å; E832-K861 IonicContact OE2-NZ 3.39Å
833	I	51.1	Low	65.2	Low	45 Å²	45	54 Å²	54	23%	0.231	29%	0.287	C	S	.	.	S	Bend	trans	73.1	28.2	164	-36.9	174.1	0	0	0	114.7	N831 L835 K861 I872	N831-I833 PolarHBondContact O-N 3.42Å; I833-L835 PolarHBondContact O-N 3.16Å; I833-K861 HydrophobicContact CD1-CB 3.68Å; I833-I872 HydrophobicContact CG2-CD1 3.52Å; I833-I872 HydrophobicContact CG2-CG1 4.12Å; I833-I872 HydrophobicContact CG2-CG2 4.25Å
834	F	50.7	Low	66.5	Low	100 Å²	100	51.9 Å²	51.9	44%	0.439	27%	0.272	S	S	.	.			trans	-75.7	97.1	155.8	-74	-69.4	0	0	0	110.5	I829 P836	I829-F834 HydrophobicContact CG2-CE2 4.34Å; I829-F834 VanDerWaalsContact O-CE2 3.31Å; I829-F834 WeakPolarHBondContact O-CE2 3.49Å; F834-P836 WeakPolarHBondContact O-CD 3.33Å
835	L	52.6	Low	67.6	Low	51 Å²	51	51.3 Å²	51.3	27%	0.267	27%	0.269	S	S	.	.			trans	-82.6	111.8	162.5	-84.2	177.8	0	0	0	108.8	I833 E837 E838 I872	I833-L835 PolarHBondContact O-N 3.16Å; L835-E837 PolarHBondContact O-N 3.38Å; L835-E838 HydrophobicContact CB-CB 4.1Å; L835-E838 HydrophobicContact CB-CG 3.46Å; L835-E838 VanDerWaalsContact CB-CG 3.46Å; L835-E838 HydrophobicContact CD1-CG 3.61Å; L835-E838 HydrophobicContact CG-CG 4.2Å; L835-E838 PolarHBondContact O-N 3.23Å; L835-E838 VanDerWaalsContact O-N 3.12Å; L835-I872 HydrophobicContact CD1-CD1 3.86Å
836	P	51.2	Low	68.6	Low	133 Å²	133	51 Å²	51	86%	0.864	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-4.6	-175.1	28.1	-36	0	0	0	114.7	F834	F834-P836 WeakPolarHBondContact O-CD 3.33Å
837	E	59.7	Low	69.4	Low	131 Å²	131	51.5 Å²	51.5	61%	0.612	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-6.9	174.5	-60.9	-172.2	171	0	0	114.3	L835 R948	L835-E837 PolarHBondContact O-N 3.38Å; E837-R948 IonicContact OE2-CZ 2.78Å; E837-R948 IonicContact OE2-NH1 2.74Å; E837-R948 PolarHBondContact OE2-NH1 3.48Å; E837-R948 IonicContact OE2-NH2 3.78Å; E837-R948 PolarHBondContact OE2-NH2 3.12Å
838	E	71.5	Confident	70.2	Confident	26 Å²	26	50.9 Å²	50.9	12%	0.121	26%	0.257	C	S	.	.			trans	-91.8	134.9	-170.8	-70.7	-70.3	104.1	0	0	112	L835 W840 R948 Y950	L835-E838 HydrophobicContact CB-CB 4.1Å; L835-E838 HydrophobicContact CB-CG 3.46Å; L835-E838 VanDerWaalsContact CB-CG 3.46Å; L835-E838 HydrophobicContact CD1-CG 3.61Å; L835-E838 HydrophobicContact CG-CG 4.2Å; L835-E838 PolarHBondContact O-N 3.23Å; L835-E838 VanDerWaalsContact O-N 3.12Å; E838-W840 PolarHBondContact O-N 2.88Å; E838-W840 PolarHBondContact OE2-NE1 3.14Å; E838-R948 IonicContact OE1-CZ 2.8Å; E838-R948 IonicContact OE1-NH1 3.53Å; E838-R948 PolarHBondContact OE1-NH1 3.33Å; E838-Y950 PolarHBondContact OE1-OH 3.18Å; E838-Y950 WeakPolarHBondContact OE2-CE1 3.15Å; E838-Y950 PolarHBondContact OE2-OH 2.67Å
839	N	78.4	Confident	70.5	Confident	62 Å²	62	53.6 Å²	53.6	33%	0.332	27%	0.271	S	S	.	.	S	Bend	trans	-77.7	39.8	179.7	-65.7	-34.6	0	0	0	112.7	G1093	N839-G1093 WeakPolarHBondContact O-CA 3.34Å; N839-G1093 PolarHBondContact O-N 3.12Å
840	W	84.4	Confident	70.7	Confident	22 Å²	22	54.2 Å²	54.2	8%	0.083	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	156.1	179.7	56.5	-89.6	0	0	0	112.4	E838 L842 I872 L938 Y950 I1090 R1091 F1092	E838-W840 PolarHBondContact O-N 2.88Å; E838-W840 PolarHBondContact OE2-NE1 3.14Å; W840-L842 HydrophobicContact CZ3-CB 4.13Å; W840-I872 HydrophobicContact CH2-CB 4.16Å; W840-I872 HydrophobicContact CH2-CD1 3.71Å; W840-I872 HydrophobicContact CH2-CG2 4.02Å; W840-I872 HydrophobicContact CZ2-CB 4.3Å; W840-I872 HydrophobicContact CZ2-CD1 3.69Å; W840-L938 HydrophobicContact CD2-CD2 4.43Å; W840-L938 HydrophobicContact CZ2-CD2 4.46Å; W840-Y950 AromaticContact NE1-CE1 3.82Å; W840-Y950 AromaticContact NE1-CZ 3.98Å; W840-I1090 HydrophobicContact CB-CG2 4.44Å; W840-I1090 HydrophobicContact CD2-CG2 4.25Å; W840-I1090 HydrophobicContact CE3-CG2 3.63Å; W840-I1090 HydrophobicContact CZ3-CG2 4.24Å; W840-R1091 CarbonylContact C-O 3.54Å; W840-R1091 WeakPolarHBondContact CA-O 3.2Å; W840-R1091 WeakPolarHBondContact CB-O 3.25Å; W840-F1092 HydrophobicContact CB-CD1 3.94Å
841	K	86.1	Confident	71.1	Confident	88 Å²	88	55.5 Å²	55.5	38%	0.383	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	138.7	176.3	-69.6	-174.7	170	-169	0	110.6	E1064 P1065 I1090 R1091	K841-E1064 WeakPolarHBondContact CD-OE2 3.4Å; K841-E1064 IonicContact NZ-OE1 3.19Å; K841-E1064 PolarHBondContact NZ-OE1 3.45Å; K841-E1064 IonicContact NZ-OE2 2.75Å; K841-E1064 PolarHBondContact NZ-OE2 3.31Å; K841-P1065 HydrophobicContact CB-CG 3.74Å; K841-I1090 CarbonylContact O-C 3.31Å; K841-I1090 VanDerWaalsContact O-CA 3.3Å; K841-I1090 WeakPolarHBondContact O-CA 3.39Å; K841-R1091 PolarHBondContact N-O 3.19Å; K841-R1091 PolarHBondContact O-N 2.65Å
842	L	87.5	Confident	71.7	Confident	12 Å²	12	53.2 Å²	53.2	6%	0.063	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	145.5	166.6	175.6	65.5	0	0	0	109.8	W840 T844 L874 M1088 V1089 I1090	W840-L842 HydrophobicContact CZ3-CB 4.13Å; L842-T844 HydrophobicContact CD1-CG2 3.87Å; L842-T844 HydrophobicContact CD2-CG2 4.32Å; L842-T844 HydrophobicContact CG-CG2 4.04Å; L842-L874 HydrophobicContact CD1-CD1 4.19Å; L842-L874 HydrophobicContact CD2-CD2 3.95Å; L842-M1088 HydrophobicContact CD1-CB 4.27Å; L842-V1089 CarbonylContact C-O 3.39Å; L842-V1089 WeakPolarHBondContact CA-O 3.46Å; L842-I1090 HydrophobicContact CD1-CG1 4.03Å
843	G	87.7	Confident	72.3	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	146.3	163.2	0	0	0	0	0	110.1	S1066 V1089	G843-S1066 VanDerWaalsContact CA-OG 3.29Å; G843-S1066 WeakPolarHBondContact CA-OG 3.27Å; G843-V1089 PolarHBondContact N-O 2.99Å; G843-V1089 PolarHBondContact O-N 2.87Å
844	T	89.4	Confident	73.4	Confident	8 Å²	8	54.2 Å²	54.2	5%	0.049	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	147.5	-173.1	59.3	0	0	0	0	111.8	L842 Q859 K861 I1087 M1088	L842-T844 HydrophobicContact CD1-CG2 3.87Å; L842-T844 HydrophobicContact CD2-CG2 4.32Å; L842-T844 HydrophobicContact CG-CG2 4.04Å; T844-Q859 VanDerWaalsContact CB-OE1 3.28Å; T844-K861 PolarHBondContact OG1-NZ 2.76Å; T844-I1087 CarbonylContact C-O 3.56Å; T844-I1087 VanDerWaalsContact CA-O 3.3Å; T844-I1087 WeakPolarHBondContact CA-O 3.44Å; T844-M1088 HydrophobicContact CG2-CB 4.04Å; T844-M1088 HydrophobicContact CG2-CG 3.73Å; T844-M1088 HydrophobicContact CG2-SD 4.47Å
845	S	90.4	Very high	74.8	Confident	4 Å²	4	50.6 Å²	50.6	3%	0.028	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	146.9	172.7	-161.2	0	0	0	0	110.6	Q859 A1069 K1070 Q1073 I1087	S845-Q859 PolarHBondContact O-NE2 3.18Å; S845-A1069 WeakPolarHBondContact CB-O 3.42Å; S845-K1070 WeakPolarHBondContact OG-CG 3.28Å; S845-Q1073 VanDerWaalsContact CB-OE1 3.31Å; S845-Q1073 PolarHBondContact OG-NE2 2.92Å; S845-Q1073 PolarHBondContact OG-OE1 2.84Å; S845-I1087 PolarHBondContact N-O 2.69Å; S845-I1087 PolarHBondContact O-N 3.3Å
846	Q	88.5	Confident	76.4	Confident	49 Å²	49	50 Å²	50	23%	0.229	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	149.7	171.4	-62.9	-165.6	-106.2	0	0	111.5	V857 Q859 Q1073 I1085	Q846-V857 PolarHBondContact NE2-O 3.32Å; Q846-Q859 HydrophobicContact CG-CG 4.11Å; Q846-Q1073 VanDerWaalsContact CA-OE1 3.22Å; Q846-Q1073 PolarHBondContact O-NE2 2.9Å; Q846-Q1073 PolarHBondContact O-OE1 3.45Å; Q846-Q1073 VanDerWaalsContact O-OE1 3.08Å; Q846-I1085 VanDerWaalsContact CA-O 3.3Å; Q846-I1085 WeakPolarHBondContact CA-O 3.49Å
847	F	86.2	Confident	78.2	Confident	24 Å²	24	43.9 Å²	43.9	11%	0.105	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	142.5	168.7	-176.9	-88.8	0	0	0	108.9	Q1073 R1077 I1085	F847-Q1073 HydrophobicContact CB-CG 4.04Å; F847-R1077 HydrophobicContact CD1-CG 4.38Å; F847-I1085 HydrophobicContact CB-CB 4.41Å; F847-I1085 PolarHBondContact N-O 2.99Å; F847-I1085 PolarHBondContact O-N 2.95Å
848	F	81.7	Confident	79.7	Confident	22 Å²	22	38.8 Å²	38.8	10%	0.096	22%	0.224	C	C	.	.			trans	-147	161	176.5	56.2	-90.6	0	0	0	109.9	H775 Y798 P850 P855 D1084	H775-F848 AromaticContact NE2-CE2 3.69Å; H775-F848 AromaticContact NE2-CZ 3.82Å; Y798-F848 AromaticContact CD2-CE1 3.89Å; Y798-F848 HydrophobicContact CD2-CE1 3.89Å; Y798-F848 HydrophobicContact CD2-CZ 4.11Å; Y798-F848 HydrophobicContact CE2-CE1 4.22Å; F848-P850 VanDerWaalsContact O-CD 3.23Å; F848-P850 WeakPolarHBondContact O-CD 3.22Å; F848-P855 HydrophobicContact CB-CB 3.94Å; F848-P855 HydrophobicContact CD1-CB 3.77Å; F848-P855 HydrophobicContact CD1-CG 4.33Å; F848-P855 HydrophobicContact CD2-CB 4.34Å; F848-P855 HydrophobicContact CE1-CB 4.33Å; F848-P855 HydrophobicContact CE1-CG 4.41Å; F848-P855 HydrophobicContact CG-CB 3.77Å; F848-D1084 WeakPolarHBondContact CA-OD1 3.38Å; F848-D1084 HydrophobicContact CB-CB 4.21Å; F848-D1084 VanDerWaalsContact CB-CG 3.41Å; F848-D1084 WeakPolarHBondContact CB-OD1 3.23Å
849	D	71.6	Confident	80.7	Confident	79 Å²	79	38 Å²	38	42%	0.422	22%	0.22	S	C	.	.			trans	-58.2	119.3	-178.4	176.1	10.7	0	0	0	111.3	S851 S852 D1084	D849-S851 VanDerWaalsContact CG-OG 3.29Å; D849-S851 PolarHBondContact O-N 3.13Å; D849-S851 WeakPolarHBondContact OD1-CB 3.42Å; D849-S851 PolarHBondContact OD1-N 3.01Å; D849-S851 PolarHBondContact OD1-OG 2.91Å; D849-S851 WeakPolarHBondContact OD2-CB 3.22Å; D849-S851 PolarHBondContact OD2-OG 3.45Å; D849-S852 VanDerWaalsContact O-CB 3.3Å; D849-S852 WeakPolarHBondContact O-CB 3.45Å; D849-S852 PolarHBondContact O-N 3.04Å; D849-D1084 PolarHBondContact N-OD1 3.32Å
850	P	62.9	Low	81.3	Confident	23 Å²	23	35.2 Å²	35.2	15%	0.149	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-22.1	174.8	-29	37.7	0	0	0	116.2	S774 H775 K797 F848 S852	S774-P850 WeakPolarHBondContact OG-CB 3.49Å; H775-P850 VanDerWaalsContact CE1-CA 3.43Å; H775-P850 WeakPolarHBondContact CE1-CA 3.37Å; H775-P850 WeakPolarHBondContact ND1-CB 3.49Å; K797-P850 PolarHBondContact NZ-O 3.13Å; F848-P850 VanDerWaalsContact O-CD 3.23Å; F848-P850 WeakPolarHBondContact O-CD 3.22Å; P850-S852 VanDerWaalsContact C-N 3.3Å
851	S	61.3	Low	81.5	Confident	92 Å²	92	36.9 Å²	36.9	64%	0.643	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-32.1	175.2	94.8	0	0	0	0	111.8	K797 D849	K797-S851 PolarHBondContact NZ-O 2.85Å; D849-S851 VanDerWaalsContact CG-OG 3.29Å; D849-S851 PolarHBondContact O-N 3.13Å; D849-S851 WeakPolarHBondContact OD1-CB 3.42Å; D849-S851 PolarHBondContact OD1-N 3.01Å; D849-S851 PolarHBondContact OD1-OG 2.91Å; D849-S851 WeakPolarHBondContact OD2-CB 3.22Å; D849-S851 PolarHBondContact OD2-OG 3.45Å
852	S	63.3	Low	81.4	Confident	41 Å²	41	33.6 Å²	33.6	29%	0.287	20%	0.204	S	C	.	.	S	Bend	trans	-64.2	158	-176.6	-169.3	0	0	0	0	113.4	K797 D849 P850 K854	K797-S852 PolarHBondContact NZ-O 2.95Å; D849-S852 VanDerWaalsContact O-CB 3.3Å; D849-S852 WeakPolarHBondContact O-CB 3.45Å; D849-S852 PolarHBondContact O-N 3.04Å; P850-S852 VanDerWaalsContact C-N 3.3Å; S852-K854 PolarHBondContact OG-N 2.91Å; S852-K854 PolarHBondContact OG-O 3.01Å
853	A	63.4	Low	81.1	Confident	97 Å²	97	37.1 Å²	37.1	80%	0.802	22%	0.217	S	C	*	.	S	Bend	trans	-84.2	-28.8	171.2	0	0	0	0	0	112.8
854	K	74	Confident	80.7	Confident	74 Å²	74	37.1 Å²	37.1	32%	0.322	22%	0.216	S	C	.	.	S	Bend	trans	-152.6	150.6	-178.7	-89.1	179	164.8	178.6	0	110.5	S852 Y883 E887	S852-K854 PolarHBondContact OG-N 2.91Å; S852-K854 PolarHBondContact OG-O 3.01Å; K854-Y883 HydrophobicContact CB-CD1 4.03Å; K854-Y883 HydrophobicContact CB-CD2 4.15Å; K854-Y883 HydrophobicContact CB-CE1 4.41Å; K854-Y883 HydrophobicContact CB-CG 3.9Å; K854-Y883 HydrophobicContact CD-CD1 4.48Å; K854-Y883 HydrophobicContact CD-CD2 3.44Å; K854-Y883 VanDerWaalsContact CD-CD2 3.44Å; K854-Y883 HydrophobicContact CD-CE1 4.36Å; K854-Y883 HydrophobicContact CD-CE2 3.3Å; K854-Y883 HydrophobicContact CD-CG 4.07Å; K854-Y883 HydrophobicContact CG-CD2 4.45Å; K854-E887 IonicContact NZ-OE1 2.7Å; K854-E887 PolarHBondContact NZ-OE1 3.35Å; K854-E887 IonicContact NZ-OE2 3.49Å; K854-E887 PolarHBondContact NZ-OE2 2.79Å
855	P	79.9	Confident	80.2	Confident	23 Å²	23	37 Å²	37	15%	0.149	22%	0.217	C	C	.	.			trans	-66.2	143.8	172.7	28.7	-35.3	0	0	0	111.3	F848 V857 L858 Y883	F848-P855 HydrophobicContact CB-CB 3.94Å; F848-P855 HydrophobicContact CD1-CB 3.77Å; F848-P855 HydrophobicContact CD1-CG 4.33Å; F848-P855 HydrophobicContact CD2-CB 4.34Å; F848-P855 HydrophobicContact CE1-CB 4.33Å; F848-P855 HydrophobicContact CE1-CG 4.41Å; F848-P855 HydrophobicContact CG-CB 3.77Å; P855-V857 VanDerWaalsContact C-N 3.34Å; P855-L858 HydrophobicContact CG-CD2 3.84Å; P855-Y883 WeakPolarHBondContact O-CB 3.4Å
856	S	84.9	Confident	79.5	Confident	39 Å²	39	45 Å²	45	27%	0.273	26%	0.26	S	S	.	.	S	Bend	trans	-77.2	-24.1	168.1	64.4	0	0	0	0	112.3	S879 D1084	S856-S879 WeakPolarHBondContact O-CB 3.36Å; S856-S879 PolarHBondContact O-N 3Å; S856-S879 PolarHBondContact O-OG 2.98Å; S856-D1084 WeakPolarHBondContact CB-OD2 3.21Å; S856-D1084 PolarHBondContact N-OD2 2.89Å; S856-D1084 PolarHBondContact OG-OD2 3.35Å
857	V	89.6	Confident	79	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.024	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.5	-179.6	-171.9	0	0	0	0	111.4	Q846 P855 I876 L877 E878 N1043 D1084	Q846-V857 PolarHBondContact NE2-O 3.32Å; P855-V857 VanDerWaalsContact C-N 3.34Å; V857-I876 HydrophobicContact CG1-CG2 3.64Å; V857-L877 CarbonylContact C-O 3.48Å; V857-L877 VanDerWaalsContact CA-O 3.23Å; V857-L877 WeakPolarHBondContact CA-O 3.46Å; V857-E878 HydrophobicContact CG1-CB 4.43Å; V857-E878 HydrophobicContact CG2-CB 4.08Å; V857-E878 HydrophobicContact CG2-CG 4.05Å; V857-N1043 HydrophobicContact CG1-CB 3.89Å; V857-D1084 HydrophobicContact CB-CB 4.17Å; V857-D1084 HydrophobicContact CG2-CB 3.72Å
858	L	91.2	Very high	78.3	Confident	24 Å²	24	46.7 Å²	46.7	13%	0.126	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	151.9	-176	-67.1	170.3	0	0	0	111.7	P855 I876 L877 G886 E887	P855-L858 HydrophobicContact CG-CD2 3.84Å; L858-I876 WeakPolarHBondContact O-CA 3.25Å; L858-L877 PolarHBondContact N-O 3.42Å; L858-L877 PolarHBondContact O-N 3.12Å; L858-G886 VanDerWaalsContact CD1-C 3.46Å; L858-E887 HydrophobicContact CD1-CB 4.14Å
859	Q	92.6	Very high	78.2	Confident	11 Å²	11	47.6 Å²	47.6	5%	0.051	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.3	172.8	-71.5	-167.3	2	0	0	110.9	T844 S845 Q846 Q890 S1086 I1087 M1088	T844-Q859 VanDerWaalsContact CB-OE1 3.28Å; S845-Q859 PolarHBondContact O-NE2 3.18Å; Q846-Q859 HydrophobicContact CG-CG 4.11Å; Q859-Q890 PolarHBondContact O-NE2 3.47Å; Q859-S1086 WeakPolarHBondContact CG-OG 3.36Å; Q859-S1086 PolarHBondContact NE2-OG 2.84Å; Q859-I1087 PolarHBondContact NE2-O 3.15Å; Q859-I1087 VanDerWaalsContact NE2-O 3.15Å; Q859-M1088 HydrophobicContact CB-CE 3.52Å; Q859-M1088 HydrophobicContact CG-CE 3.6Å
860	L	91.8	Very high	78.6	Confident	3 Å²	3	45.7 Å²	45.7	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	128.7	168	179.6	151.3	0	0	0	108.7	L873 L874 G875 L877 L893 P894 L935	L860-L873 HydrophobicContact CD2-CD2 3.85Å; L860-L873 HydrophobicContact CD2-CG 3.72Å; L860-L874 CarbonylContact O-C 3.18Å; L860-L874 VanDerWaalsContact O-CA 3.32Å; L860-L874 WeakPolarHBondContact O-CA 3.4Å; L860-G875 PolarHBondContact N-O 2.96Å; L860-G875 PolarHBondContact O-N 3.47Å; L860-L877 HydrophobicContact CB-CD1 3.79Å; L860-L893 HydrophobicContact CD1-CB 3.51Å; L860-L893 HydrophobicContact CD1-CD1 3.99Å; L860-L893 HydrophobicContact CD1-CG 4.42Å; L860-P894 HydrophobicContact CD1-CG 4.24Å; L860-L935 HydrophobicContact CD1-CD2 4.3Å; L860-L935 HydrophobicContact CD2-CD2 4.16Å
861	K	88.3	Confident	79.7	Confident	57 Å²	57	44.8 Å²	44.8	25%	0.248	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	132.3	175.4	-50.6	176.6	-174	176.4	0	108.5	E832 I833 T844 L873 L874 M1088	E832-K861 IonicContact OE2-NZ 3.39Å; I833-K861 HydrophobicContact CD1-CB 3.68Å; T844-K861 PolarHBondContact OG1-NZ 2.76Å; K861-L873 CarbonylContact C-O 3.5Å; K861-L874 HydrophobicContact CB-CD2 4.17Å; K861-L874 HydrophobicContact CG-CD2 4.1Å; K861-M1088 HydrophobicContact CG-CE 4.13Å
862	G	83.4	Confident	81	Confident	19 Å²	19	40.6 Å²	40.6	20%	0.196	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.2	-159.1	178.4	0	0	0	0	0	114.1	L873	G862-L873 PolarHBondContact N-O 2.82Å; G862-L873 PolarHBondContact O-N 3.43Å
863	R	82.1	Confident	82.4	Confident	85 Å²	85	38.6 Å²	38.6	32%	0.321	23%	0.232	S	C	.	.			trans	-135.4	138.8	172.6	-57.5	-166.5	-167.3	149.6	13.4	110.1	G865 G871 I872	R863-G865 VanDerWaalsContact CB-O 3.26Å; R863-G865 WeakPolarHBondContact CB-O 3.49Å; R863-G865 PolarHBondContact O-N 3.32Å; R863-G871 WeakPolarHBondContact CD-O 3.41Å; R863-G871 VanDerWaalsContact CG-O 3.3Å; R863-G871 WeakPolarHBondContact CG-O 3.43Å; R863-I872 HydrophobicContact CG-CG1 3.83Å
864	P	79	Confident	83.9	Confident	1 Å²	1	34 Å²	34	1%	0.006	19%	0.194	C	C	.	.	S	Bend	trans	-87.5	60.2	175.5	36.1	-31.5	0	0	0	109.4	V897 E898 H937	P864-V897 HydrophobicContact CB-CB 4.07Å; P864-V897 HydrophobicContact CB-CG1 3.61Å; P864-V897 HydrophobicContact CG-CG1 4.01Å; P864-E898 HydrophobicContact CB-CB 4.17Å; P864-H937 WeakPolarHBondContact CG-CE1 3.4Å; P864-H937 WeakPolarHBondContact CG-NE2 3.4Å
865	G	79	Confident	85	Confident	7 Å²	7	30.5 Å²	30.5	7%	0.072	18%	0.179	C	C	.	.	S	Bend	trans	141.5	163.1	-172.7	0	0	0	0	0	113.2	R863 E898	R863-G865 VanDerWaalsContact CB-O 3.26Å; R863-G865 WeakPolarHBondContact CB-O 3.49Å; R863-G865 PolarHBondContact O-N 3.32Å; G865-E898 WeakPolarHBondContact CA-OE1 3.42Å
866	N	75.7	Confident	85.8	Confident	171 Å²	171	29.4 Å²	29.4	91%	0.914	17%	0.172	S	C	*	.	S	Bend	trans	-87.7	-6.4	-171.4	-69.6	-32.9	0	0	0	114.6	D870	N866-D870 PolarHBondContact N-OD2 3.07Å
867	S	77.5	Confident	86.3	Confident	53 Å²	53	27.5 Å²	27.5	37%	0.371	16%	0.159	S	C	.	.	S	Bend	trans	-90.8	156.7	-177.4	-167.1	0	0	0	0	112.7	A869 D870	S867-A869 PolarHBondContact OG-N 3.05Å; S867-A869 VanDerWaalsContact OG-N 3.16Å; S867-D870 WeakPolarHBondContact CB-OD2 3.33Å; S867-D870 PolarHBondContact N-OD2 2.78Å; S867-D870 PolarHBondContact O-N 3.1Å
868	S	72.1	Confident	86.5	Confident	55 Å²	55	28.4 Å²	28.4	39%	0.385	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-68.1	-28.4	161.9	51.7	0	0	0	0	111.7	D870	S868-D870 PolarHBondContact O-N 2.93Å
869	A	77.8	Confident	86.5	Confident	42 Å²	42	27.8 Å²	27.8	35%	0.347	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-69.5	-13.9	175.5	0	0	0	0	0	113.6	S867 G871 Y942	S867-A869 PolarHBondContact OG-N 3.05Å; S867-A869 VanDerWaalsContact OG-N 3.16Å; A869-G871 VanDerWaalsContact C-N 3.33Å; A869-Y942 HydrophobicContact CB-CE2 3.85Å
870	D	81	Confident	85.8	Confident	39 Å²	39	30.3 Å²	30.3	21%	0.209	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-73	-26	-178.4	-82.5	-55.9	0	0	0	113.6	N866 S867 S868 K901 H937	N866-D870 PolarHBondContact N-OD2 3.07Å; S867-D870 WeakPolarHBondContact CB-OD2 3.33Å; S867-D870 PolarHBondContact N-OD2 2.78Å; S867-D870 PolarHBondContact O-N 3.1Å; S868-D870 PolarHBondContact O-N 2.93Å; D870-K901 PolarHBondContact O-NZ 2.75Å; D870-K901 IonicContact OD1-NZ 3.97Å; D870-K901 PolarHBondContact OD1-NZ 2.89Å; D870-H937 PolarHBondContact O-CE1 3.06Å; D870-H937 PolarHBondContact O-NE2 2.72Å; D870-H937 VanDerWaalsContact O-NE2 3.09Å
871	G	85.9	Confident	84.8	Confident	3 Å²	3	35 Å²	35	3%	0.031	19%	0.194	C	C	.	.			trans	96.4	175.7	-172	0	0	0	0	0	113.9	R863 A869 L938	R863-G871 WeakPolarHBondContact CD-O 3.41Å; R863-G871 VanDerWaalsContact CG-O 3.3Å; R863-G871 WeakPolarHBondContact CG-O 3.43Å; A869-G871 VanDerWaalsContact C-N 3.33Å; G871-L938 CarbonylContact C-O 3.55Å; G871-L938 WeakPolarHBondContact CA-O 3.16Å
872	I	88.9	Confident	84	Confident	4 Å²	4	33.6 Å²	33.6	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.5	176.7	-78.5	158.4	0	0	0	109.7	I833 L835 W840 R863 L874 H937 L938	I833-I872 HydrophobicContact CG2-CD1 3.52Å; I833-I872 HydrophobicContact CG2-CG1 4.12Å; I833-I872 HydrophobicContact CG2-CG2 4.25Å; L835-I872 HydrophobicContact CD1-CD1 3.86Å; W840-I872 HydrophobicContact CH2-CB 4.16Å; W840-I872 HydrophobicContact CH2-CD1 3.71Å; W840-I872 HydrophobicContact CH2-CG2 4.02Å; W840-I872 HydrophobicContact CZ2-CB 4.3Å; W840-I872 HydrophobicContact CZ2-CD1 3.69Å; R863-I872 HydrophobicContact CG-CG1 3.83Å; I872-L874 HydrophobicContact CG2-CD2 4.25Å; I872-L874 HydrophobicContact CG2-CG 4.15Å; I872-H937 PolarHBondContact O-CD2 3.36Å; I872-L938 PolarHBondContact N-O 3.25Å; I872-L938 VanDerWaalsContact N-O 3.09Å; I872-L938 PolarHBondContact O-N 3.48Å
873	L	92.9	Very high	83.8	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	126.2	-178.8	-179.1	70	0	0	0	108.9	L860 K861 G862 V897 L911 L935 H937	L860-L873 HydrophobicContact CD2-CD2 3.85Å; L860-L873 HydrophobicContact CD2-CG 3.72Å; K861-L873 CarbonylContact C-O 3.5Å; G862-L873 PolarHBondContact N-O 2.82Å; G862-L873 PolarHBondContact O-N 3.43Å; L873-V897 HydrophobicContact CD1-CG1 4.44Å; L873-V897 HydrophobicContact CD2-CB 4.03Å; L873-V897 HydrophobicContact CD2-CG1 4.11Å; L873-V897 HydrophobicContact CD2-CG2 3.91Å; L873-L911 HydrophobicContact CD1-CD2 4.1Å; L873-L935 HydrophobicContact CD1-CB 4.4Å; L873-L935 HydrophobicContact CD1-CD2 4.29Å; L873-H937 HydrophobicContact CD1-CB 3.93Å
874	L	94.7	Very high	83.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	157.4	177.3	-63.1	170.8	0	0	0	108.9	L842 L860 K861 I872 L935 C936 L938 M1088 I1090	L842-L874 HydrophobicContact CD1-CD1 4.19Å; L842-L874 HydrophobicContact CD2-CD2 3.95Å; L860-L874 CarbonylContact O-C 3.18Å; L860-L874 VanDerWaalsContact O-CA 3.32Å; L860-L874 WeakPolarHBondContact O-CA 3.4Å; K861-L874 HydrophobicContact CB-CD2 4.17Å; K861-L874 HydrophobicContact CG-CD2 4.1Å; I872-L874 HydrophobicContact CG2-CD2 4.25Å; I872-L874 HydrophobicContact CG2-CG 4.15Å; L874-L935 WeakPolarHBondContact O-CA 3.39Å; L874-C936 PolarHBondContact N-O 3.42Å; L874-C936 PolarHBondContact O-N 2.97Å; L874-L938 HydrophobicContact CD1-CD1 4.49Å; L874-M1088 HydrophobicContact CB-SD 3.99Å; L874-M1088 HydrophobicContact CD2-SD 4.2Å; L874-M1088 HydrophobicContact CG-SD 4.48Å; L874-I1090 HydrophobicContact CD1-CD1 3.38Å; L874-I1090 HydrophobicContact CD1-CG1 4.03Å
875	G	95.7	Very high	84.3	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	167.8	172.3	0	0	0	0	0	113.3	L860 A934 M1088	L860-G875 PolarHBondContact N-O 2.96Å; L860-G875 PolarHBondContact O-N 3.47Å; G875-A934 CarbonylContact C-O 3.58Å; G875-A934 WeakPolarHBondContact CA-O 3.3Å; G875-M1088 WeakPolarHBondContact O-CE 3.25Å
876	I	97.2	Very high	84.8	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	137.3	173.8	-64	173.9	0	0	0	107.6	V857 L858 C933 A934 V960 L1041 N1043 M1088	V857-I876 HydrophobicContact CG1-CG2 3.64Å; L858-I876 WeakPolarHBondContact O-CA 3.25Å; I876-C933 WeakPolarHBondContact O-CA 3.3Å; I876-A934 PolarHBondContact N-O 3.16Å; I876-A934 VanDerWaalsContact N-O 3.09Å; I876-A934 PolarHBondContact O-N 2.92Å; I876-A934 VanDerWaalsContact O-N 3.16Å; I876-V960 HydrophobicContact CB-CG1 3.77Å; I876-V960 HydrophobicContact CB-CG2 4.47Å; I876-V960 HydrophobicContact CG2-CG1 4.15Å; I876-V960 HydrophobicContact CG2-CG2 4.09Å; I876-L1041 HydrophobicContact CD1-CB 3.91Å; I876-N1043 HydrophobicContact CG2-CB 4Å; I876-M1088 HydrophobicContact CD1-CG 4.36Å; I876-M1088 HydrophobicContact CG1-CE 4.27Å; I876-M1088 HydrophobicContact CG1-CG 4.49Å
877	L	96.4	Very high	85.5	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.7	178.7	-61.3	91.5	0	0	0	108.3	V857 L858 L860 L889 L893 V931 S932	V857-L877 CarbonylContact C-O 3.48Å; V857-L877 VanDerWaalsContact CA-O 3.23Å; V857-L877 WeakPolarHBondContact CA-O 3.46Å; L858-L877 PolarHBondContact N-O 3.42Å; L858-L877 PolarHBondContact O-N 3.12Å; L860-L877 HydrophobicContact CB-CD1 3.79Å; L877-L889 HydrophobicContact CD2-CB 3.41Å; L877-L889 VanDerWaalsContact CD2-CB 3.41Å; L877-L889 HydrophobicContact CD2-CD1 4.31Å; L877-L893 HydrophobicContact CD2-CD1 3.93Å; L877-V931 HydrophobicContact CB-CG1 3.89Å; L877-V931 HydrophobicContact CD2-CG1 4.31Å; L877-V931 HydrophobicContact CG-CG1 4.47Å; L877-S932 CarbonylContact C-O 3.4Å; L877-S932 WeakPolarHBondContact CA-O 3.44Å
878	E	94.3	Very high	86.2	Confident	22 Å²	22	30.5 Å²	30.5	10%	0.103	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	111.7	-171.2	165.2	177.4	-110.2	0	0	108.2	V857 V931 S932 V960 N1043 G1044	V857-E878 HydrophobicContact CG1-CB 4.43Å; V857-E878 HydrophobicContact CG2-CB 4.08Å; V857-E878 HydrophobicContact CG2-CG 4.05Å; E878-V931 WeakPolarHBondContact O-CA 3.41Å; E878-S932 PolarHBondContact N-O 3.45Å; E878-S932 WeakPolarHBondContact O-CB 3.49Å; E878-S932 PolarHBondContact O-N 3Å; E878-S932 WeakPolarHBondContact OE2-CB 3.45Å; E878-S932 PolarHBondContact OE2-OG 2.91Å; E878-V960 HydrophobicContact CB-CG2 4Å; E878-N1043 VanDerWaalsContact OE1-CB 3.27Å; E878-N1043 WeakPolarHBondContact OE1-CB 3.34Å; E878-N1043 PolarHBondContact OE1-ND2 3.05Å; E878-G1044 PolarHBondContact OE1-N 3.05Å; E878-G1044 PolarHBondContact OE2-N 2.87Å
879	S	90.4	Very high	87.2	Confident	11 Å²	11	27.9 Å²	27.9	8%	0.077	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	120.3	-162.9	-38.7	0	0	0	0	111.6	S856 F881 S882 G886	S856-S879 WeakPolarHBondContact O-CB 3.36Å; S856-S879 PolarHBondContact O-N 3Å; S856-S879 PolarHBondContact O-OG 2.98Å; S879-F881 PolarHBondContact O-N 3.43Å; S879-S882 WeakPolarHBondContact CB-O 3.23Å; S879-G886 WeakPolarHBondContact OG-CA 3.48Å
880	L	78.2	Confident	88	Confident	65 Å²	65	28.9 Å²	28.9	34%	0.34	14%	0.141	S	C	.	.	S	Bend	trans	-75.6	-25.3	-163.1	-67	171.2	0	0	0	115.6	G930 V1006 L1011	L880-G930 PolarHBondContact N-O 3.26Å; L880-V1006 HydrophobicContact CD1-CG1 4.06Å; L880-L1011 HydrophobicContact CD1-CD1 3.53Å; L880-L1011 HydrophobicContact CD1-CD2 3.94Å; L880-L1011 HydrophobicContact CD1-CG 4.33Å
881	F	69.5	Low	88.5	Confident	101 Å²	101	33 Å²	33	44%	0.443	16%	0.159	S	C	.	.	S	Bend	trans	-135.3	-24.7	-175.2	-47.6	-59.3	0	0	0	114.4	S879 R928 T1005 V1006	S879-F881 PolarHBondContact O-N 3.43Å; F881-R928 WeakPolarHBondContact CD2-O 3.21Å; F881-R928 WeakPolarHBondContact CE2-O 3.4Å; F881-T1005 HydrophobicContact CE1-CG2 4.43Å; F881-T1005 HydrophobicContact CZ-CG2 3.85Å; F881-V1006 HydrophobicContact CZ-CG1 3.76Å
882	S	72.2	Confident	88.8	Confident	28 Å²	28	35 Å²	35	20%	0.196	17%	0.168	C	C	.	.			trans	-158.1	144.3	176.5	179.8	0	0	0	0	109.5	S879 E884	S879-S882 WeakPolarHBondContact CB-O 3.23Å; S882-E884 WeakPolarHBondContact CB-OE2 3.11Å; S882-E884 PolarHBondContact O-N 3.44Å; S882-E884 WeakPolarHBondContact OG-CG 3.42Å; S882-E884 PolarHBondContact OG-N 2.9Å; S882-E884 PolarHBondContact OG-OE2 2.97Å
883	Y	79.5	Confident	89.1	Confident	77 Å²	77	34.8 Å²	34.8	30%	0.302	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-20	178.2	65.8	-93.7	0	0	0	113.4	K854 P855 S885 G886 E887	K854-Y883 HydrophobicContact CB-CD1 4.03Å; K854-Y883 HydrophobicContact CB-CD2 4.15Å; K854-Y883 HydrophobicContact CB-CE1 4.41Å; K854-Y883 HydrophobicContact CB-CG 3.9Å; K854-Y883 HydrophobicContact CD-CD1 4.48Å; K854-Y883 HydrophobicContact CD-CD2 3.44Å; K854-Y883 VanDerWaalsContact CD-CD2 3.44Å; K854-Y883 HydrophobicContact CD-CE1 4.36Å; K854-Y883 HydrophobicContact CD-CE2 3.3Å; K854-Y883 HydrophobicContact CD-CG 4.07Å; K854-Y883 HydrophobicContact CG-CD2 4.45Å; P855-Y883 WeakPolarHBondContact O-CB 3.4Å; Y883-S885 PolarHBondContact O-N 3.49Å; Y883-G886 PolarHBondContact O-N 2.89Å; Y883-E887 WeakPolarHBondContact CE2-OE2 3.46Å; Y883-E887 PolarHBondContact O-N 2.97Å
884	E	84.4	Confident	89.1	Confident	85 Å²	85	36.4 Å²	36.4	40%	0.397	18%	0.177	S	C	.	.	H	α-helix	trans	-62.5	-39.1	-166.6	-63.6	157.3	139.4	0	0	112.7	S882 L888 Q929	S882-E884 WeakPolarHBondContact CB-OE2 3.11Å; S882-E884 PolarHBondContact O-N 3.44Å; S882-E884 WeakPolarHBondContact OG-CG 3.42Å; S882-E884 PolarHBondContact OG-N 2.9Å; S882-E884 PolarHBondContact OG-OE2 2.97Å; E884-L888 WeakPolarHBondContact O-CB 3.42Å; E884-L888 PolarHBondContact O-N 2.78Å; E884-Q929 PolarHBondContact OE2-NE2 3.26Å
885	S	87.5	Confident	89	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.007	21%	0.205	C	C	.	.	H	α-helix	trans	-71.3	-33.2	175.1	-73.9	0	0	0	0	113	Y883 L889 Q929	Y883-S885 PolarHBondContact O-N 3.49Å; S885-L889 WeakPolarHBondContact O-CB 3.46Å; S885-L889 WeakPolarHBondContact O-CG 3.48Å; S885-L889 PolarHBondContact O-N 2.88Å; S885-Q929 WeakPolarHBondContact OG-CB 3.38Å; S885-Q929 PolarHBondContact OG-OE1 3.18Å
886	G	89.9	Confident	88.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.6	-46.9	171.9	0	0	0	0	0	111.6	L858 S879 Y883 L888 L889 Q890	L858-G886 VanDerWaalsContact CD1-C 3.46Å; S879-G886 WeakPolarHBondContact OG-CA 3.48Å; Y883-G886 PolarHBondContact O-N 2.89Å; G886-L888 PolarHBondContact O-N 2.89Å; G886-L889 PolarHBondContact O-N 3.46Å; G886-Q890 WeakPolarHBondContact O-CB 3.34Å; G886-Q890 PolarHBondContact O-N 3.01Å
887	E	89.8	Confident	88.7	Confident	59 Å²	59	43.4 Å²	43.4	28%	0.276	21%	0.21	S	C	.	.	H	α-helix	trans	-63.4	-40.7	178.3	-179.6	174.6	-161.5	0	0	112.1	K854 L858 Y883 Q891	K854-E887 IonicContact NZ-OE1 2.7Å; K854-E887 PolarHBondContact NZ-OE1 3.35Å; K854-E887 IonicContact NZ-OE2 3.49Å; K854-E887 PolarHBondContact NZ-OE2 2.79Å; L858-E887 HydrophobicContact CD1-CB 4.14Å; Y883-E887 WeakPolarHBondContact CE2-OE2 3.46Å; Y883-E887 PolarHBondContact O-N 2.97Å; E887-Q891 WeakPolarHBondContact O-CG 3.06Å; E887-Q891 PolarHBondContact O-N 3.36Å; E887-Q891 PolarHBondContact O-NE2 3.32Å
888	L	91.5	Very high	88.5	Confident	49 Å²	49	45.9 Å²	45.9	26%	0.257	22%	0.222	S	C	.	.	H	α-helix	trans	-64.2	-44.6	175.1	-178.8	58.6	0	0	0	111.8	E884 G886 Q891 M892 L922	E884-L888 WeakPolarHBondContact O-CB 3.42Å; E884-L888 PolarHBondContact O-N 2.78Å; G886-L888 PolarHBondContact O-N 2.89Å; L888-Q891 PolarHBondContact O-N 3.37Å; L888-M892 HydrophobicContact CD1-CE 4.09Å; L888-M892 HydrophobicContact CD1-CG 4.45Å; L888-M892 HydrophobicContact CD1-SD 3.91Å; L888-M892 HydrophobicContact CD2-CE 4.42Å; L888-M892 HydrophobicContact CG-CE 3.73Å; L888-M892 HydrophobicContact CG-SD 4.24Å; L888-M892 WeakPolarHBondContact O-CG 3.43Å; L888-M892 PolarHBondContact O-N 2.71Å; L888-L922 HydrophobicContact CD2-CD2 4.08Å
889	L	94.2	Very high	88.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-69	-38.3	177.2	-73.6	-172.6	0	0	0	113.2	L877 S885 G886 Q891 M892 L893 A918 L922 V931 I1012	L877-L889 HydrophobicContact CD2-CB 3.41Å; L877-L889 VanDerWaalsContact CD2-CB 3.41Å; L877-L889 HydrophobicContact CD2-CD1 4.31Å; S885-L889 WeakPolarHBondContact O-CB 3.46Å; S885-L889 WeakPolarHBondContact O-CG 3.48Å; S885-L889 PolarHBondContact O-N 2.88Å; G886-L889 PolarHBondContact O-N 3.46Å; L889-Q891 PolarHBondContact O-N 3.14Å; L889-M892 HydrophobicContact CD2-CE 3.84Å; L889-M892 PolarHBondContact O-N 3.08Å; L889-L893 HydrophobicContact CB-CD1 4.2Å; L889-L893 HydrophobicContact CB-CG 4.46Å; L889-L893 VanDerWaalsContact O-CB 3.27Å; L889-L893 WeakPolarHBondContact O-CB 3.37Å; L889-L893 VanDerWaalsContact O-CG 3.27Å; L889-L893 WeakPolarHBondContact O-CG 3.28Å; L889-L893 PolarHBondContact O-N 2.78Å; L889-A918 HydrophobicContact CD2-CB 3.72Å; L889-L922 HydrophobicContact CD1-CD1 4.22Å; L889-L922 HydrophobicContact CD1-CD2 4.34Å; L889-L922 HydrophobicContact CD1-CG 4.33Å; L889-L922 HydrophobicContact CD2-CD2 3.89Å; L889-L922 HydrophobicContact CD2-CG 3.85Å; L889-L922 HydrophobicContact CG-CD1 4.49Å; L889-L922 HydrophobicContact CG-CD2 3.77Å; L889-L922 HydrophobicContact CG-CG 4.09Å; L889-V931 HydrophobicContact CD1-CB 4.01Å; L889-V931 HydrophobicContact CD1-CG1 4.22Å; L889-V931 HydrophobicContact CD1-CG2 4.01Å; L889-I1012 HydrophobicContact CD1-CB 4.43Å; L889-I1012 HydrophobicContact CD1-CG2 3.81Å
890	Q	93.3	Very high	88.5	Confident	63 Å²	63	50.4 Å²	50.4	29%	0.294	24%	0.241	S	C	.	.	H	α-helix	trans	-55.5	-37.1	176.7	-171.5	-169.2	32.8	0	0	111.5	Q859 G886	Q859-Q890 PolarHBondContact O-NE2 3.47Å; G886-Q890 WeakPolarHBondContact O-CB 3.34Å; G886-Q890 PolarHBondContact O-N 3.01Å
891	Q	91.6	Very high	89.1	Confident	126 Å²	126	49.4 Å²	49.4	59%	0.589	24%	0.235	S	C	*	.	H	α-helix	trans	-76.3	-42.2	178.1	-67.2	170.4	32.6	0	0	113.1	E887 L888 L889	E887-Q891 WeakPolarHBondContact O-CG 3.06Å; E887-Q891 PolarHBondContact O-N 3.36Å; E887-Q891 PolarHBondContact O-NE2 3.32Å; L888-Q891 PolarHBondContact O-N 3.37Å; L889-Q891 PolarHBondContact O-N 3.14Å
892	M	93	Very high	90	Very high	44 Å²	44	53.1 Å²	53.1	22%	0.217	25%	0.245	C	C	.	.	H	α-helix	trans	-85.1	-30.6	-173.1	-61.8	-176.7	-51.1	0	0	114.3	L888 L889 P894 E895 I896 A921	L888-M892 HydrophobicContact CD1-CE 4.09Å; L888-M892 HydrophobicContact CD1-CG 4.45Å; L888-M892 HydrophobicContact CD1-SD 3.91Å; L888-M892 HydrophobicContact CD2-CE 4.42Å; L888-M892 HydrophobicContact CG-CE 3.73Å; L888-M892 HydrophobicContact CG-SD 4.24Å; L888-M892 WeakPolarHBondContact O-CG 3.43Å; L888-M892 PolarHBondContact O-N 2.71Å; L889-M892 HydrophobicContact CD2-CE 3.84Å; L889-M892 PolarHBondContact O-N 3.08Å; M892-P894 VanDerWaalsContact C-CD 3.49Å; M892-E895 PolarHBondContact O-N 2.7Å; M892-I896 HydrophobicContact CB-CD1 3.92Å; M892-I896 WeakPolarHBondContact O-CG1 3.38Å; M892-I896 PolarHBondContact O-N 2.86Å; M892-I896 VanDerWaalsContact O-N 3.09Å; M892-A921 HydrophobicContact CE-CB 3.53Å; M892-A921 HydrophobicContact SD-CB 4.02Å
893	L	94.8	Very high	90.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-57.5	-39.4	-171.4	-85.5	173	0	0	0	115.3	L860 L877 L889 E895 I896 V897 L915 A918 L935	L860-L893 HydrophobicContact CD1-CB 3.51Å; L860-L893 HydrophobicContact CD1-CD1 3.99Å; L860-L893 HydrophobicContact CD1-CG 4.42Å; L877-L893 HydrophobicContact CD2-CD1 3.93Å; L889-L893 HydrophobicContact CB-CD1 4.2Å; L889-L893 HydrophobicContact CB-CG 4.46Å; L889-L893 VanDerWaalsContact O-CB 3.27Å; L889-L893 WeakPolarHBondContact O-CB 3.37Å; L889-L893 VanDerWaalsContact O-CG 3.27Å; L889-L893 WeakPolarHBondContact O-CG 3.28Å; L889-L893 PolarHBondContact O-N 2.78Å; L893-E895 VanDerWaalsContact C-N 3.34Å; L893-E895 PolarHBondContact O-N 2.88Å; L893-I896 PolarHBondContact O-N 2.82Å; L893-V897 WeakPolarHBondContact O-CB 3.19Å; L893-V897 VanDerWaalsContact O-CG2 3.26Å; L893-V897 WeakPolarHBondContact O-CG2 3.48Å; L893-V897 PolarHBondContact O-N 3.43Å; L893-L915 HydrophobicContact CD2-CD2 4.23Å; L893-A918 HydrophobicContact CD2-CB 3.67Å; L893-A918 HydrophobicContact CG-CB 4.48Å; L893-L935 HydrophobicContact CD1-CD2 4.35Å; L893-L935 HydrophobicContact CD2-CD1 4.2Å
894	P	92.4	Very high	90.6	Very high	34 Å²	34	59.6 Å²	59.6	22%	0.221	28%	0.278	C	S	.	.	H	α-helix	trans	-60.6	-41.5	178	-24.5	35.7	0	0	0	113	L860 M892 E898	L860-P894 HydrophobicContact CD1-CG 4.24Å; M892-P894 VanDerWaalsContact C-CD 3.49Å; P894-E898 PolarHBondContact O-N 3.23Å
895	E	92.4	Very high	90.2	Very high	127 Å²	127	57.4 Å²	57.4	59%	0.593	27%	0.27	S	S	*	.	H	α-helix	trans	-69.3	-41.2	177.1	-61.7	-171	172.9	0	0	111.7	M892 L893 V897 E898 Q899	M892-E895 PolarHBondContact O-N 2.7Å; L893-E895 VanDerWaalsContact C-N 3.34Å; L893-E895 PolarHBondContact O-N 2.88Å; E895-V897 VanDerWaalsContact C-N 3.35Å; E895-V897 PolarHBondContact O-N 2.78Å; E895-E898 PolarHBondContact O-N 2.98Å; E895-Q899 VanDerWaalsContact O-CG 3.26Å; E895-Q899 WeakPolarHBondContact O-CG 3.47Å; E895-Q899 PolarHBondContact O-N 2.76Å
896	I	93.7	Very high	89.8	Confident	20 Å²	20	57.5 Å²	57.5	10%	0.103	27%	0.271	C	S	.	.	H	α-helix	trans	-62	-43.3	176.6	-66.2	170	0	0	0	110.5	M892 L893 Q899 E900 M917 A921	M892-I896 HydrophobicContact CB-CD1 3.92Å; M892-I896 WeakPolarHBondContact O-CG1 3.38Å; M892-I896 PolarHBondContact O-N 2.86Å; M892-I896 VanDerWaalsContact O-N 3.09Å; L893-I896 PolarHBondContact O-N 2.82Å; I896-Q899 PolarHBondContact O-N 2.7Å; I896-E900 PolarHBondContact O-N 2.77Å; I896-M917 HydrophobicContact CG2-CB 3.73Å; I896-A921 HydrophobicContact CD1-CB 4.01Å
897	V	94.6	Very high	89.4	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66	-37.7	177.4	174.8	0	0	0	0	111.5	P864 L873 L893 E895 K901 Y910 L911 S914 L935	P864-V897 HydrophobicContact CB-CB 4.07Å; P864-V897 HydrophobicContact CB-CG1 3.61Å; P864-V897 HydrophobicContact CG-CG1 4.01Å; L873-V897 HydrophobicContact CD1-CG1 4.44Å; L873-V897 HydrophobicContact CD2-CB 4.03Å; L873-V897 HydrophobicContact CD2-CG1 4.11Å; L873-V897 HydrophobicContact CD2-CG2 3.91Å; L893-V897 WeakPolarHBondContact O-CB 3.19Å; L893-V897 VanDerWaalsContact O-CG2 3.26Å; L893-V897 WeakPolarHBondContact O-CG2 3.48Å; L893-V897 PolarHBondContact O-N 3.43Å; E895-V897 VanDerWaalsContact C-N 3.35Å; E895-V897 PolarHBondContact O-N 2.78Å; V897-K901 WeakPolarHBondContact O-CB 3.25Å; V897-K901 PolarHBondContact O-N 2.9Å; V897-Y910 HydrophobicContact CG1-CD2 3.98Å; V897-Y910 HydrophobicContact CG1-CE2 3.93Å; V897-L911 HydrophobicContact CG1-CD2 3.88Å; V897-L911 HydrophobicContact CG2-CD2 4.02Å; V897-S914 WeakPolarHBondContact CA-OG 3.42Å; V897-S914 WeakPolarHBondContact CG2-OG 3.43Å; V897-L935 HydrophobicContact CG2-CD1 4.03Å
898	E	92.2	Very high	89.2	Confident	51 Å²	51	69.4 Å²	69.4	24%	0.238	32%	0.324	C	S	.	.	H	α-helix	trans	-65.5	-39.4	173.2	-177.3	167.1	-151.3	0	0	112.2	P864 G865 P894 E895 R902	P864-E898 HydrophobicContact CB-CB 4.17Å; G865-E898 WeakPolarHBondContact CA-OE1 3.42Å; P894-E898 PolarHBondContact O-N 3.23Å; E895-E898 PolarHBondContact O-N 2.98Å; E898-R902 VanDerWaalsContact CD-NH2 3.29Å; E898-R902 WeakPolarHBondContact O-CD 3.12Å; E898-R902 VanDerWaalsContact O-CG 3.28Å; E898-R902 WeakPolarHBondContact O-CG 3.3Å; E898-R902 PolarHBondContact O-N 3.04Å; E898-R902 IonicContact OE1-CZ 2.7Å; E898-R902 IonicContact OE1-NE 2.75Å; E898-R902 IonicContact OE1-NH2 2.63Å; E898-R902 PolarHBondContact OE1-NH2 2.8Å; E898-R902 IonicContact OE2-NH2 2.72Å
899	Q	91	Very high	89.1	Confident	120 Å²	120	71 Å²	71	56%	0.561	33%	0.33	S	S	*	.	H	α-helix	trans	-65.6	-52	178.1	-71.5	170.2	44.4	0	0	111.9	E895 I896 K901 R902 E903	E895-Q899 VanDerWaalsContact O-CG 3.26Å; E895-Q899 WeakPolarHBondContact O-CG 3.47Å; E895-Q899 PolarHBondContact O-N 2.76Å; I896-Q899 PolarHBondContact O-N 2.7Å; Q899-K901 VanDerWaalsContact C-N 3.28Å; Q899-K901 PolarHBondContact O-N 3.49Å; Q899-R902 WeakPolarHBondContact O-CB 3.35Å; Q899-R902 PolarHBondContact O-N 2.82Å; Q899-E903 PolarHBondContact O-N 3.17Å; Q899-E903 VanDerWaalsContact O-N 3.12Å
900	E	92.9	Very high	89.1	Confident	8 Å²	8	71.8 Å²	71.8	4%	0.037	33%	0.333	C	S	.	.	H	α-helix	trans	-69.3	-23.1	179.5	-66.4	-61.5	140.1	0	0	113	R155 I896 R902 T906 Y910 M917	R155-E900 IonicContact CZ-OE1 3.8Å; R155-E900 IonicContact CZ-OE2 2.66Å; R155-E900 IonicContact NH1-OE1 3.6Å; R155-E900 PolarHBondContact NH1-OE1 3.41Å; R155-E900 IonicContact NH1-OE2 3.77Å; R155-E900 PolarHBondContact NH1-OE2 3.44Å; R155-E900 IonicContact NH2-OE1 2.86Å; R155-E900 PolarHBondContact NH2-OE1 2.85Å; I896-E900 PolarHBondContact O-N 2.77Å; E900-R902 VanDerWaalsContact C-N 3.27Å; E900-R902 PolarHBondContact O-N 3.41Å; E900-T906 PolarHBondContact O-OG1 2.94Å; E900-T906 WeakPolarHBondContact OE2-CB 3.26Å; E900-T906 PolarHBondContact OE2-OG1 2.88Å; E900-Y910 WeakPolarHBondContact O-CB 3.35Å; E900-M917 HydrophobicContact CG-CG 4.4Å
901	K	90.2	Very high	89.2	Confident	45 Å²	45	68.8 Å²	68.8	20%	0.196	32%	0.319	C	S	.	.	H	α-helix	trans	-68.7	-25.5	170.6	-177.1	-173.2	-176	-171.9	0	112.6	D870 V897 Q899 Y910	D870-K901 PolarHBondContact O-NZ 2.75Å; D870-K901 IonicContact OD1-NZ 3.97Å; D870-K901 PolarHBondContact OD1-NZ 2.89Å; V897-K901 WeakPolarHBondContact O-CB 3.25Å; V897-K901 PolarHBondContact O-N 2.9Å; Q899-K901 VanDerWaalsContact C-N 3.28Å; Q899-K901 PolarHBondContact O-N 3.49Å; K901-Y910 HydrophobicContact CB-CD2 4.21Å; K901-Y910 HydrophobicContact CB-CG 4.38Å
902	R	89.2	Confident	89.3	Confident	178 Å²	178	64.1 Å²	64.1	67%	0.672	30%	0.297	S	S	*	.	H	α-helix	trans	-90.6	-24.7	177.5	-65.8	166.6	179	-156.4	4.7	112.8	E898 Q899 E900 M904	E898-R902 VanDerWaalsContact CD-NH2 3.29Å; E898-R902 WeakPolarHBondContact O-CD 3.12Å; E898-R902 VanDerWaalsContact O-CG 3.28Å; E898-R902 WeakPolarHBondContact O-CG 3.3Å; E898-R902 PolarHBondContact O-N 3.04Å; E898-R902 IonicContact OE1-CZ 2.7Å; E898-R902 IonicContact OE1-NE 2.75Å; E898-R902 IonicContact OE1-NH2 2.63Å; E898-R902 PolarHBondContact OE1-NH2 2.8Å; E898-R902 IonicContact OE2-NH2 2.72Å; Q899-R902 WeakPolarHBondContact O-CB 3.35Å; Q899-R902 PolarHBondContact O-N 2.82Å; E900-R902 VanDerWaalsContact C-N 3.27Å; E900-R902 PolarHBondContact O-N 3.41Å; R902-M904 PolarHBondContact O-N 2.83Å
903	E	86.2	Confident	89.4	Confident	65 Å²	65	62.3 Å²	62.3	30%	0.304	29%	0.288	S	S	.	.			trans	-68.3	115.3	-180	172.4	50.9	-116.7	0	0	111.8	Q899 T905 T906 R907	Q899-E903 PolarHBondContact O-N 3.17Å; Q899-E903 VanDerWaalsContact O-N 3.12Å; E903-T905 WeakPolarHBondContact CG-OG1 3.4Å; E903-T905 PolarHBondContact O-N 2.79Å; E903-T905 WeakPolarHBondContact OE1-CB 3.36Å; E903-T905 WeakPolarHBondContact OE1-CG2 3.41Å; E903-T905 PolarHBondContact OE1-N 2.68Å; E903-T905 PolarHBondContact OE1-OG1 2.81Å; E903-T906 WeakPolarHBondContact CB-OG1 3.35Å; E903-T906 HydrophobicContact CG-CG2 4.19Å; E903-T906 WeakPolarHBondContact CG-OG1 3.26Å; E903-T906 PolarHBondContact O-N 2.87Å; E903-R907 WeakPolarHBondContact O-CB 3.4Å; E903-R907 PolarHBondContact O-N 3.06Å
904	M	78.6	Confident	89.4	Confident	177 Å²	177	62.3 Å²	62.3	87%	0.872	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-29.8	-175.7	-64.5	-174	-176.6	0	0	113.4	R902	R902-M904 PolarHBondContact O-N 2.83Å
905	T	75.8	Confident	89.6	Confident	38 Å²	38	60.7 Å²	60.7	23%	0.233	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-17	-177.1	59.9	0	0	0	0	114.1	N152 R154 E903	N152-T905 PolarHBondContact ND2-O 3.3Å; R154-T905 HydrophobicContact CB-CG2 4.06Å; E903-T905 WeakPolarHBondContact CG-OG1 3.4Å; E903-T905 PolarHBondContact O-N 2.79Å; E903-T905 WeakPolarHBondContact OE1-CB 3.36Å; E903-T905 WeakPolarHBondContact OE1-CG2 3.41Å; E903-T905 PolarHBondContact OE1-N 2.68Å; E903-T905 PolarHBondContact OE1-OG1 2.81Å
906	T	78.6	Confident	89.6	Confident	4 Å²	4	54.7 Å²	54.7	3%	0.025	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-5.4	-177.2	61	0	0	0	0	113.4	E900 E903 D908 Q909 Y910 Y913	E900-T906 PolarHBondContact O-OG1 2.94Å; E900-T906 WeakPolarHBondContact OE2-CB 3.26Å; E900-T906 PolarHBondContact OE2-OG1 2.88Å; E903-T906 WeakPolarHBondContact CB-OG1 3.35Å; E903-T906 HydrophobicContact CG-CG2 4.19Å; E903-T906 WeakPolarHBondContact CG-OG1 3.26Å; E903-T906 PolarHBondContact O-N 2.87Å; T906-D908 VanDerWaalsContact C-N 3.27Å; T906-D908 PolarHBondContact O-N 2.9Å; T906-Q909 CarbonylContact O-C 3.13Å; T906-Q909 WeakPolarHBondContact O-CA 3.37Å; T906-Q909 PolarHBondContact O-N 2.88Å; T906-Y910 PolarHBondContact O-N 3.17Å; T906-Y913 HydrophobicContact CG2-CD1 3.56Å; T906-Y913 HydrophobicContact CG2-CD2 3.62Å; T906-Y913 HydrophobicContact CG2-CE1 3.78Å; T906-Y913 HydrophobicContact CG2-CE2 3.86Å; T906-Y913 HydrophobicContact CG2-CG 3.47Å; T906-Y913 VanDerWaalsContact CG2-CG 3.47Å
907	R	81.3	Confident	89.6	Confident	165 Å²	165	54.4 Å²	54.4	62%	0.623	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-46	-37.2	-175.8	-170.7	175.8	-177	-163.6	0	116.2	E903 Q909 Y910	E903-R907 WeakPolarHBondContact O-CB 3.4Å; E903-R907 PolarHBondContact O-N 3.06Å; R907-Q909 VanDerWaalsContact C-N 3.33Å; R907-Y910 VanDerWaalsContact O-CD1 3.28Å; R907-Y910 WeakPolarHBondContact O-CD1 3.49Å
908	D	85.3	Confident	89.6	Confident	144 Å²	144	54.4 Å²	54.4	77%	0.77	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-85.4	-5.6	179.8	-68.4	-31.9	0	0	0	113.7	T906 R953	T906-D908 VanDerWaalsContact C-N 3.27Å; T906-D908 PolarHBondContact O-N 2.9Å; D908-R953 PolarHBondContact O-NH2 2.69Å
909	Q	90.4	Very high	89.6	Confident	83 Å²	83	52.2 Å²	52.2	39%	0.388	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-132.5	29.1	176.1	-65.8	-165.2	-11.1	0	0	113.2	T906 R907 L911 K912 Y913 E1027	T906-Q909 CarbonylContact O-C 3.13Å; T906-Q909 WeakPolarHBondContact O-CA 3.37Å; T906-Q909 PolarHBondContact O-N 2.88Å; R907-Q909 VanDerWaalsContact C-N 3.33Å; Q909-L911 VanDerWaalsContact C-N 3.34Å; Q909-L911 PolarHBondContact O-N 3.39Å; Q909-K912 HydrophobicContact CB-CD 4.38Å; Q909-K912 WeakPolarHBondContact O-CB 3.33Å; Q909-K912 PolarHBondContact O-N 3.1Å; Q909-Y913 HydrophobicContact CB-CD2 3.91Å; Q909-Y913 HydrophobicContact CB-CE2 4.04Å; Q909-Y913 WeakPolarHBondContact O-CD2 3.28Å; Q909-Y913 PolarHBondContact O-N 2.99Å; Q909-Y913 VanDerWaalsContact O-N 3.09Å; Q909-E1027 VanDerWaalsContact CA-OE2 3.24Å; Q909-E1027 WeakPolarHBondContact CA-OE2 3.49Å; Q909-E1027 WeakPolarHBondContact CB-OE2 3.2Å; Q909-E1027 WeakPolarHBondContact CG-OE2 3.37Å
910	Y	94.1	Very high	89.5	Confident	15 Å²	15	47.2 Å²	47.2	6%	0.059	21%	0.214	C	C	.	.	H	α-helix	trans	-61.2	-33.3	-166.3	67.4	-84.8	0	0	0	114.8	V897 E900 K901 T906 R907 Y913 S914 H937 R953	V897-Y910 HydrophobicContact CG1-CD2 3.98Å; V897-Y910 HydrophobicContact CG1-CE2 3.93Å; E900-Y910 WeakPolarHBondContact O-CB 3.35Å; K901-Y910 HydrophobicContact CB-CD2 4.21Å; K901-Y910 HydrophobicContact CB-CG 4.38Å; T906-Y910 PolarHBondContact O-N 3.17Å; R907-Y910 VanDerWaalsContact O-CD1 3.28Å; R907-Y910 WeakPolarHBondContact O-CD1 3.49Å; Y910-Y913 PolarHBondContact O-N 3.33Å; Y910-S914 WeakPolarHBondContact O-CB 3.42Å; Y910-S914 PolarHBondContact O-N 2.93Å; Y910-S914 PolarHBondContact O-OG 2.9Å; Y910-H937 AromaticContact CE2-ND1 3.67Å; Y910-H937 AromaticContact CZ-ND1 3.61Å; Y910-H937 PolarHBondContact OH-ND1 3.07Å; Y910-R953 VanDerWaalsContact CE1-CD 3.46Å
911	L	95.2	Very high	89.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-70.1	-43	178.7	-70.2	-177.6	0	0	0	111.8	L873 V897 Q909 Y913 S914 L915 L935 H937 R953 A955 E1027	L873-L911 HydrophobicContact CD1-CD2 4.1Å; V897-L911 HydrophobicContact CG1-CD2 3.88Å; V897-L911 HydrophobicContact CG2-CD2 4.02Å; Q909-L911 VanDerWaalsContact C-N 3.34Å; Q909-L911 PolarHBondContact O-N 3.39Å; L911-Y913 PolarHBondContact O-N 3.07Å; L911-S914 WeakPolarHBondContact O-CB 3.26Å; L911-S914 PolarHBondContact O-N 3.13Å; L911-S914 VanDerWaalsContact O-N 3.12Å; L911-L915 PolarHBondContact O-N 2.81Å; L911-L935 HydrophobicContact CD2-CB 4.42Å; L911-L935 HydrophobicContact CD2-CD1 4.22Å; L911-H937 HydrophobicContact CD1-CB 4.1Å; L911-H937 HydrophobicContact CD2-CB 4.46Å; L911-R953 HydrophobicContact CD1-CB 4.01Å; L911-R953 HydrophobicContact CD1-CG 4.13Å; L911-R953 WeakPolarHBondContact CD1-O 3.46Å; L911-A955 HydrophobicContact CB-CB 3.71Å; L911-E1027 PolarHBondContact N-OE1 3.25Å
912	K	94.3	Very high	89.3	Confident	28 Å²	28	45.7 Å²	45.7	12%	0.122	21%	0.211	C	C	.	.	H	α-helix	trans	-55.5	-51.1	171.6	177.1	-164.2	163.5	-170.8	0	110.5	Q909 S914 L915 I916 P1025 E1027	Q909-K912 HydrophobicContact CB-CD 4.38Å; Q909-K912 WeakPolarHBondContact O-CB 3.33Å; Q909-K912 PolarHBondContact O-N 3.1Å; K912-S914 VanDerWaalsContact C-N 3.27Å; K912-S914 PolarHBondContact O-N 3.25Å; K912-L915 PolarHBondContact O-N 3.4Å; K912-I916 HydrophobicContact CG-CD1 4.19Å; K912-I916 WeakPolarHBondContact O-CG1 3.5Å; K912-I916 PolarHBondContact O-N 2.87Å; K912-I916 VanDerWaalsContact O-N 3.14Å; K912-P1025 HydrophobicContact CB-CG 4.47Å; K912-P1025 HydrophobicContact CG-CB 4.26Å; K912-P1025 HydrophobicContact CG-CG 3.98Å; K912-P1025 WeakPolarHBondContact O-CG 3.24Å; K912-E1027 HydrophobicContact CB-CB 4.09Å; K912-E1027 HydrophobicContact CB-CG 4.29Å; K912-E1027 WeakPolarHBondContact CB-OE1 3.15Å; K912-E1027 PolarHBondContact N-OE1 3.5Å
913	Y	93.7	Very high	89.1	Confident	7 Å²	7	40.6 Å²	40.6	3%	0.027	19%	0.194	C	C	.	.	H	α-helix	trans	-65	-31.7	176.7	-80.4	-83.9	0	0	0	112.5	I150 N152 T906 Q909 Y910 L911 I916 M917	I150-Y913 HydrophobicContact CG2-CE1 4.21Å; N152-Y913 PolarHBondContact N-OH 3.28Å; T906-Y913 HydrophobicContact CG2-CD1 3.56Å; T906-Y913 HydrophobicContact CG2-CD2 3.62Å; T906-Y913 HydrophobicContact CG2-CE1 3.78Å; T906-Y913 HydrophobicContact CG2-CE2 3.86Å; T906-Y913 HydrophobicContact CG2-CG 3.47Å; T906-Y913 VanDerWaalsContact CG2-CG 3.47Å; Q909-Y913 HydrophobicContact CB-CD2 3.91Å; Q909-Y913 HydrophobicContact CB-CE2 4.04Å; Q909-Y913 WeakPolarHBondContact O-CD2 3.28Å; Q909-Y913 PolarHBondContact O-N 2.99Å; Q909-Y913 VanDerWaalsContact O-N 3.09Å; Y910-Y913 PolarHBondContact O-N 3.33Å; L911-Y913 PolarHBondContact O-N 3.07Å; Y913-I916 PolarHBondContact O-N 2.96Å; Y913-M917 WeakPolarHBondContact O-CB 3.32Å; Y913-M917 VanDerWaalsContact O-CG 3.3Å; Y913-M917 WeakPolarHBondContact O-CG 3.48Å; Y913-M917 PolarHBondContact O-N 2.84Å
914	S	95.7	Very high	88.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.5	-40.9	174.2	-58.3	0	0	0	0	112.9	V897 Y910 L911 K912 M917 A918	V897-S914 WeakPolarHBondContact CA-OG 3.42Å; V897-S914 WeakPolarHBondContact CG2-OG 3.43Å; Y910-S914 WeakPolarHBondContact O-CB 3.42Å; Y910-S914 PolarHBondContact O-N 2.93Å; Y910-S914 PolarHBondContact O-OG 2.9Å; L911-S914 WeakPolarHBondContact O-CB 3.26Å; L911-S914 PolarHBondContact O-N 3.13Å; L911-S914 VanDerWaalsContact O-N 3.12Å; K912-S914 VanDerWaalsContact C-N 3.27Å; K912-S914 PolarHBondContact O-N 3.25Å; S914-M917 PolarHBondContact O-N 3.08Å; S914-A918 VanDerWaalsContact O-CB 3.32Å; S914-A918 WeakPolarHBondContact O-CB 3.27Å; S914-A918 PolarHBondContact O-N 3.48Å
915	L	95.8	Very high	89	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-70.9	-31.6	176.7	-63.9	-173.5	0	0	0	112.4	L893 L911 K912 A918 H919 L935 A955 I1012 P1025	L893-L915 HydrophobicContact CD2-CD2 4.23Å; L911-L915 PolarHBondContact O-N 2.81Å; K912-L915 PolarHBondContact O-N 3.4Å; L915-A918 WeakPolarHBondContact O-CB 3.18Å; L915-A918 PolarHBondContact O-N 3.25Å; L915-H919 PolarHBondContact O-N 2.82Å; L915-H919 VanDerWaalsContact O-N 3.14Å; L915-L935 HydrophobicContact CD2-CD1 3.52Å; L915-L935 HydrophobicContact CD2-CG 3.92Å; L915-L935 HydrophobicContact CG-CD1 4.27Å; L915-A955 HydrophobicContact CD1-CB 3.82Å; L915-I1012 HydrophobicContact CB-CD1 3.98Å; L915-I1012 HydrophobicContact CD1-CD1 4.43Å; L915-I1012 HydrophobicContact CD2-CD1 3.72Å; L915-I1012 HydrophobicContact CG-CD1 4.24Å; L915-P1025 HydrophobicContact CB-CB 4.42Å; L915-P1025 HydrophobicContact CB-CG 3.74Å; L915-P1025 HydrophobicContact CD1-CB 4.09Å; L915-P1025 HydrophobicContact CD1-CG 4.32Å
916	I	93.6	Very high	89.4	Confident	1 Å²	1	36 Å²	36	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-71.4	-39.2	172.4	-59.9	162.8	0	0	0	110.9	I150 K912 Y913 A918 H919 H920 P1025	I150-I916 HydrophobicContact CD1-CG2 3.87Å; I150-I916 HydrophobicContact CG1-CG2 3.55Å; K912-I916 HydrophobicContact CG-CD1 4.19Å; K912-I916 WeakPolarHBondContact O-CG1 3.5Å; K912-I916 PolarHBondContact O-N 2.87Å; K912-I916 VanDerWaalsContact O-N 3.14Å; Y913-I916 PolarHBondContact O-N 2.96Å; I916-A918 VanDerWaalsContact C-N 3.32Å; I916-H919 WeakPolarHBondContact O-CB 3.04Å; I916-H919 PolarHBondContact O-N 3.02Å; I916-H920 PolarHBondContact O-N 2.82Å; I916-P1025 HydrophobicContact CD1-CG 4.49Å; I916-P1025 HydrophobicContact CG1-CG 4.02Å
917	M	92.5	Very high	89.6	Confident	13 Å²	13	35.8 Å²	35.8	6%	0.064	17%	0.169	C	C	.	.	H	α-helix	trans	-69.8	-27.6	172.5	-69.7	-60.6	98.1	0	0	112.6	I150 R155 I896 E900 Y913 S914 H920 A921	I150-M917 HydrophobicContact CD1-CE 3.64Å; I150-M917 HydrophobicContact CG1-CE 4.46Å; R155-M917 PolarHBondContact NH2-SD 3.44Å; I896-M917 HydrophobicContact CG2-CB 3.73Å; E900-M917 HydrophobicContact CG-CG 4.4Å; Y913-M917 WeakPolarHBondContact O-CB 3.32Å; Y913-M917 VanDerWaalsContact O-CG 3.3Å; Y913-M917 WeakPolarHBondContact O-CG 3.48Å; Y913-M917 PolarHBondContact O-N 2.84Å; S914-M917 PolarHBondContact O-N 3.08Å; M917-H920 WeakPolarHBondContact O-CB 3.31Å; M917-H920 PolarHBondContact O-N 3.21Å; M917-A921 VanDerWaalsContact O-CB 3.23Å; M917-A921 WeakPolarHBondContact O-CB 3.34Å; M917-A921 PolarHBondContact O-N 2.85Å
918	A	94.2	Very high	89.3	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.9	-43.5	170.8	0	0	0	0	0	111.8	L889 L893 S914 L915 I916 H920 A921 L922 I1012	L889-A918 HydrophobicContact CD2-CB 3.72Å; L893-A918 HydrophobicContact CD2-CB 3.67Å; L893-A918 HydrophobicContact CG-CB 4.48Å; S914-A918 VanDerWaalsContact O-CB 3.32Å; S914-A918 WeakPolarHBondContact O-CB 3.27Å; S914-A918 PolarHBondContact O-N 3.48Å; L915-A918 WeakPolarHBondContact O-CB 3.18Å; L915-A918 PolarHBondContact O-N 3.25Å; I916-A918 VanDerWaalsContact C-N 3.32Å; A918-H920 VanDerWaalsContact C-N 3.31Å; A918-H920 PolarHBondContact O-N 3.23Å; A918-A921 PolarHBondContact O-N 3.15Å; A918-L922 PolarHBondContact O-N 3Å; A918-I1012 HydrophobicContact CB-CG2 4.14Å
919	H	93.2	Very high	89.2	Confident	5 Å²	5	28.1 Å²	28.1	2%	0.023	13%	0.13	C	C	.	.	H	α-helix	trans	-58.6	-42.9	172.5	170.6	82.2	0	0	0	111.9	L915 I916 I1012 G1013 S1015 P1023	L915-H919 PolarHBondContact O-N 2.82Å; L915-H919 VanDerWaalsContact O-N 3.14Å; I916-H919 WeakPolarHBondContact O-CB 3.04Å; I916-H919 PolarHBondContact O-N 3.02Å; H919-I1012 HydrophobicContact CB-CG2 3.89Å; H919-G1013 PolarHBondContact ND1-N 3.05Å; H919-G1013 VanDerWaalsContact ND1-N 3.14Å; H919-S1015 PolarHBondContact CE1-OG 3.27Å; H919-P1023 HydrophobicContact CB-CB 3.82Å; H919-P1023 HydrophobicContact CB-CG 4.34Å
920	H	88.9	Confident	89.1	Confident	15 Å²	15	24.2 Å²	24.2	7%	0.069	11%	0.112	C	C	.	.	H	α-helix	trans	-63.9	-42.9	174	-178.8	-116.3	0	0	0	112.6	D164 L165 L168 I916 M917 A918 L922 K923	D164-H920 PolarHBondContact O-NE2 3.21Å; D164-H920 VanDerWaalsContact O-NE2 3.12Å; L165-H920 WeakPolarHBondContact CA-NE2 3.44Å; L165-H920 PolarHBondContact N-NE2 3.11Å; L165-H920 VanDerWaalsContact N-NE2 3.17Å; L168-H920 HydrophobicContact CD1-CB 4.24Å; I916-H920 PolarHBondContact O-N 2.82Å; M917-H920 WeakPolarHBondContact O-CB 3.31Å; M917-H920 PolarHBondContact O-N 3.21Å; A918-H920 VanDerWaalsContact C-N 3.31Å; A918-H920 PolarHBondContact O-N 3.23Å; H920-L922 VanDerWaalsContact C-N 3.3Å; H920-L922 PolarHBondContact O-N 2.76Å; H920-K923 PolarHBondContact O-N 2.81Å
921	A	89.9	Confident	89.1	Confident	20 Å²	20	23.5 Å²	23.5	17%	0.165	11%	0.109	C	C	.	.	H	α-helix	trans	-71.6	-17.6	-178.4	0	0	0	0	0	114.5	M892 I896 M917 A918 K923	M892-A921 HydrophobicContact CE-CB 3.53Å; M892-A921 HydrophobicContact SD-CB 4.02Å; I896-A921 HydrophobicContact CD1-CB 4.01Å; M917-A921 VanDerWaalsContact O-CB 3.23Å; M917-A921 WeakPolarHBondContact O-CB 3.34Å; M917-A921 PolarHBondContact O-N 2.85Å; A918-A921 PolarHBondContact O-N 3.15Å; A921-K923 PolarHBondContact O-N 2.84Å
922	L	88.4	Confident	89.1	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.005	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-19.1	170.2	-79.2	178.1	0	0	0	113.7	L888 L889 A918 H920 E924 N925 G926 I1012	L888-L922 HydrophobicContact CD2-CD2 4.08Å; L889-L922 HydrophobicContact CD1-CD1 4.22Å; L889-L922 HydrophobicContact CD1-CD2 4.34Å; L889-L922 HydrophobicContact CD1-CG 4.33Å; L889-L922 HydrophobicContact CD2-CD2 3.89Å; L889-L922 HydrophobicContact CD2-CG 3.85Å; L889-L922 HydrophobicContact CG-CD1 4.49Å; L889-L922 HydrophobicContact CG-CD2 3.77Å; L889-L922 HydrophobicContact CG-CG 4.09Å; A918-L922 PolarHBondContact O-N 3Å; H920-L922 VanDerWaalsContact C-N 3.3Å; H920-L922 PolarHBondContact O-N 2.76Å; L922-E924 PolarHBondContact O-N 3.15Å; L922-N925 WeakPolarHBondContact O-CB 3.12Å; L922-N925 PolarHBondContact O-N 2.76Å; L922-N925 VanDerWaalsContact O-N 3.16Å; L922-G926 PolarHBondContact O-N 3.26Å; L922-I1012 HydrophobicContact CD1-CG2 4.13Å
923	K	85.8	Confident	89.2	Confident	72 Å²	72	22.1 Å²	22.1	31%	0.313	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	-129.5	175.2	-59.9	-178.7	-174.6	-148.8	0	111.9	D164 Y167 H920 A921 G926	D164-K923 WeakPolarHBondContact OD1-CE 3.35Å; D164-K923 IonicContact OD1-NZ 2.9Å; D164-K923 PolarHBondContact OD1-NZ 3.38Å; D164-K923 WeakPolarHBondContact OD2-CE 3.29Å; D164-K923 IonicContact OD2-NZ 2.86Å; D164-K923 PolarHBondContact OD2-NZ 3.22Å; Y167-K923 HydrophobicContact CD1-CB 3.83Å; Y167-K923 HydrophobicContact CD2-CB 3.64Å; Y167-K923 HydrophobicContact CD2-CD 4.09Å; Y167-K923 HydrophobicContact CD2-CG 3.61Å; Y167-K923 HydrophobicContact CE1-CB 3.94Å; Y167-K923 HydrophobicContact CE2-CB 3.76Å; Y167-K923 HydrophobicContact CE2-CD 3.65Å; Y167-K923 HydrophobicContact CE2-CG 3.7Å; Y167-K923 HydrophobicContact CG-CB 3.67Å; Y167-K923 HydrophobicContact CG-CG 4.14Å; H920-K923 PolarHBondContact O-N 2.81Å; A921-K923 PolarHBondContact O-N 2.84Å; K923-G926 PolarHBondContact O-N 3.11Å
924	E	80.2	Confident	89.3	Confident	106 Å²	106	21.8 Å²	21.8	50%	0.495	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-34.3	-179.3	-167.5	170.8	173.9	0	0	113.1	Y167 L922 G926 Q927	Y167-E924 HydrophobicContact CD1-CB 4.06Å; Y167-E924 VanDerWaalsContact CD1-N 3.35Å; Y167-E924 HydrophobicContact CE1-CB 3.94Å; L922-E924 PolarHBondContact O-N 3.15Å; E924-G926 VanDerWaalsContact C-N 3.31Å; E924-G926 PolarHBondContact O-N 2.98Å; E924-Q927 VanDerWaalsContact O-CB 3.26Å; E924-Q927 WeakPolarHBondContact O-CB 3.22Å; E924-Q927 WeakPolarHBondContact O-CG 3.31Å; E924-Q927 PolarHBondContact O-N 3.33Å; E924-Q927 VanDerWaalsContact O-N 3.13Å
925	N	82.1	Confident	89.4	Confident	76 Å²	76	21.8 Å²	21.8	41%	0.406	10%	0.102	S	C	.	.	H	α-helix	trans	-60.1	-45	177.2	-64	0.9	0	0	0	110.6	L922 Q927 R928 Q929	L922-N925 WeakPolarHBondContact O-CB 3.12Å; L922-N925 PolarHBondContact O-N 2.76Å; L922-N925 VanDerWaalsContact O-N 3.16Å; N925-Q927 PolarHBondContact O-N 2.94Å; N925-R928 PolarHBondContact O-N 2.99Å; N925-Q929 WeakPolarHBondContact O-CA 3.33Å; N925-Q929 VanDerWaalsContact O-CB 3.25Å; N925-Q929 WeakPolarHBondContact O-CB 3.38Å; N925-Q929 PolarHBondContact O-N 3.32Å
926	G	84.2	Confident	89.5	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66	-6.7	180	0	0	0	0	0	114.8	L922 K923 E924 Q929 G1013 C1014 S1015	L922-G926 PolarHBondContact O-N 3.26Å; K923-G926 PolarHBondContact O-N 3.11Å; E924-G926 VanDerWaalsContact C-N 3.31Å; E924-G926 PolarHBondContact O-N 2.98Å; G926-Q929 CarbonylContact C-O 3.16Å; G926-G1013 CarbonylContact O-C 3.48Å; G926-G1013 WeakPolarHBondContact O-CA 3.23Å; G926-C1014 PolarHBondContact O-N 2.95Å; G926-S1015 PolarHBondContact O-N 3.28Å; G926-S1015 PolarHBondContact O-OG 3.49Å
927	Q	82	Confident	89.5	Confident	1 Å²	1	21.8 Å²	21.8	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-66.3	-70.9	168.1	-58	-176.4	-15	0	0	108.8	Y167 Y182 E924 N925 C1014 S1015 F1016	Y167-Q927 PolarHBondContact O-NE2 3.29Å; Y182-Q927 HydrophobicContact CE1-CB 3.65Å; Y182-Q927 HydrophobicContact CE2-CB 4.18Å; Y182-Q927 VanDerWaalsContact CZ-CB 3.45Å; Y182-Q927 WeakPolarHBondContact OH-CA 3.06Å; Y182-Q927 VanDerWaalsContact OH-CB 3.24Å; Y182-Q927 WeakPolarHBondContact OH-CB 3.49Å; Y182-Q927 PolarHBondContact OH-O 3.22Å; E924-Q927 VanDerWaalsContact O-CB 3.26Å; E924-Q927 WeakPolarHBondContact O-CB 3.22Å; E924-Q927 WeakPolarHBondContact O-CG 3.31Å; E924-Q927 PolarHBondContact O-N 3.33Å; E924-Q927 VanDerWaalsContact O-N 3.13Å; N925-Q927 PolarHBondContact O-N 2.94Å; Q927-C1014 CarbonylContact O-C 3.54Å; Q927-C1014 VanDerWaalsContact O-CA 3.23Å; Q927-C1014 WeakPolarHBondContact O-CA 3.42Å; Q927-S1015 PolarHBondContact O-N 3.06Å; Q927-F1016 WeakPolarHBondContact O-CD1 3.21Å
928	R	76.6	Confident	89.5	Confident	116 Å²	116	21.2 Å²	21.2	44%	0.438	10%	0.099	S	C	.	.	H	α-helix	trans	-82.8	-33.4	-177.5	-114.5	162.6	-146.9	179	8.4	113.2	Y182 F881 N925 F1016	Y182-R928 HydrophobicContact CD1-CB 4.37Å; Y182-R928 HydrophobicContact CD1-CG 3.95Å; Y182-R928 VanDerWaalsContact CD1-NE 3.27Å; Y182-R928 HydrophobicContact CE1-CB 3.58Å; Y182-R928 HydrophobicContact CE1-CG 3.33Å; Y182-R928 PolarHBondContact OH-N 3.18Å; F881-R928 WeakPolarHBondContact CD2-O 3.21Å; F881-R928 WeakPolarHBondContact CE2-O 3.4Å; N925-R928 PolarHBondContact O-N 2.99Å; R928-F1016 HydrophobicContact CG-CE1 4.33Å
929	Q	83	Confident	89.3	Confident	31 Å²	31	22.9 Å²	22.9	15%	0.145	11%	0.109	C	C	.	.			trans	-84.6	148.2	-179.5	-55.7	-171.2	-2.6	0	0	110.7	E884 S885 N925 G926 G1013 C1014	E884-Q929 PolarHBondContact OE2-NE2 3.26Å; S885-Q929 WeakPolarHBondContact OG-CB 3.38Å; S885-Q929 PolarHBondContact OG-OE1 3.18Å; N925-Q929 WeakPolarHBondContact O-CA 3.33Å; N925-Q929 VanDerWaalsContact O-CB 3.25Å; N925-Q929 WeakPolarHBondContact O-CB 3.38Å; N925-Q929 PolarHBondContact O-N 3.32Å; G926-Q929 CarbonylContact C-O 3.16Å; Q929-G1013 WeakPolarHBondContact O-CA 3.48Å; Q929-C1014 PolarHBondContact O-N 3.18Å
930	G	88	Confident	88.9	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.01	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	150.5	178.9	0	0	0	0	0	112.2	L880 I1012	L880-G930 PolarHBondContact N-O 3.26Å; G930-I1012 WeakPolarHBondContact CA-O 3.19Å
931	V	93.4	Very high	88.5	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	125.3	-176	-175.5	0	0	0	0	109.8	L877 E878 L889 C933 I1012	L877-V931 HydrophobicContact CB-CG1 3.89Å; L877-V931 HydrophobicContact CD2-CG1 4.31Å; L877-V931 HydrophobicContact CG-CG1 4.47Å; E878-V931 WeakPolarHBondContact O-CA 3.41Å; L889-V931 HydrophobicContact CD1-CB 4.01Å; L889-V931 HydrophobicContact CD1-CG1 4.22Å; L889-V931 HydrophobicContact CD1-CG2 4.01Å; V931-C933 HydrophobicContact CG1-CB 4.34Å; V931-I1012 PolarHBondContact N-O 2.77Å; V931-I1012 PolarHBondContact O-N 3.04Å
932	S	95.3	Very high	87.4	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	126.2	162.7	170.2	0	0	0	0	107.6	L877 E878 C957 D959 V960	L877-S932 CarbonylContact C-O 3.4Å; L877-S932 WeakPolarHBondContact CA-O 3.44Å; E878-S932 PolarHBondContact N-O 3.45Å; E878-S932 WeakPolarHBondContact O-CB 3.49Å; E878-S932 PolarHBondContact O-N 3Å; E878-S932 WeakPolarHBondContact OE2-CB 3.45Å; E878-S932 PolarHBondContact OE2-OG 2.91Å; S932-C957 CarbonylContact C-O 3.44Å; S932-C957 WeakPolarHBondContact CA-O 3.35Å; S932-D959 PolarHBondContact OG-N 2.86Å; S932-V960 PolarHBondContact OG-N 2.97Å
933	C	96	Very high	86	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	139.1	-170.5	-178.3	0	0	0	0	112.5	I876 V931 N956 C957 I1012	I876-C933 WeakPolarHBondContact O-CA 3.3Å; V931-C933 HydrophobicContact CG1-CB 4.34Å; C933-N956 CarbonylContact O-C 3.54Å; C933-N956 VanDerWaalsContact O-CA 3.25Å; C933-N956 WeakPolarHBondContact O-CA 3.36Å; C933-N956 WeakPolarHBondContact O-CB 3.33Å; C933-C957 PolarHBondContact N-O 3.48Å; C933-C957 PolarHBondContact O-N 3.34Å; C933-I1012 HydrophobicContact CB-CD1 3.7Å
934	A	97.5	Very high	84.5	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.3	161.1	0	0	0	0	0	110.8	G875 I876 A955 N956 V960 V962 T974	G875-A934 CarbonylContact C-O 3.58Å; G875-A934 WeakPolarHBondContact CA-O 3.3Å; I876-A934 PolarHBondContact N-O 3.16Å; I876-A934 VanDerWaalsContact N-O 3.09Å; I876-A934 PolarHBondContact O-N 2.92Å; I876-A934 VanDerWaalsContact O-N 3.16Å; A934-A955 CarbonylContact C-O 3.41Å; A934-A955 WeakPolarHBondContact CA-O 3.45Å; A934-N956 HydrophobicContact CB-CB 3.73Å; A934-V960 HydrophobicContact CB-CB 3.99Å; A934-V960 HydrophobicContact CB-CG1 3.49Å; A934-V960 VanDerWaalsContact CB-CG1 3.49Å; A934-V962 HydrophobicContact CB-CG2 4Å; A934-T974 HydrophobicContact CB-CG2 4.47Å
935	L	97.5	Very high	83.2	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	140.4	169.7	-70.8	177.8	0	0	0	109.9	L860 L873 L874 L893 V897 L911 L915 V954 A955	L860-L935 HydrophobicContact CD1-CD2 4.3Å; L860-L935 HydrophobicContact CD2-CD2 4.16Å; L873-L935 HydrophobicContact CD1-CB 4.4Å; L873-L935 HydrophobicContact CD1-CD2 4.29Å; L874-L935 WeakPolarHBondContact O-CA 3.39Å; L893-L935 HydrophobicContact CD1-CD2 4.35Å; L893-L935 HydrophobicContact CD2-CD1 4.2Å; V897-L935 HydrophobicContact CG2-CD1 4.03Å; L911-L935 HydrophobicContact CD2-CB 4.42Å; L911-L935 HydrophobicContact CD2-CD1 4.22Å; L915-L935 HydrophobicContact CD2-CD1 3.52Å; L915-L935 HydrophobicContact CD2-CG 3.92Å; L915-L935 HydrophobicContact CG-CD1 4.27Å; L935-V954 CarbonylContact O-C 3.41Å; L935-V954 VanDerWaalsContact O-CA 3.25Å; L935-V954 WeakPolarHBondContact O-CA 3.14Å; L935-A955 PolarHBondContact N-O 3.45Å; L935-A955 PolarHBondContact O-N 2.84Å
936	C	96.6	Very high	82	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	119	171.7	-179.4	0	0	0	0	109.5	L874 L938 R953 V954 L1039 L1041	L874-C936 PolarHBondContact N-O 3.42Å; L874-C936 PolarHBondContact O-N 2.97Å; C936-L938 VanDerWaalsContact SG-CD1 3.57Å; C936-R953 CarbonylContact C-O 3.58Å; C936-R953 WeakPolarHBondContact CA-O 3.32Å; C936-V954 HydrophobicContact CB-CG2 4.31Å; C936-L1039 WeakPolarHBondContact SG-CD2 3.47Å; C936-L1041 HydrophobicContact CB-CD1 4.48Å; C936-L1041 HydrophobicContact CB-CD2 3.92Å
937	H	94.8	Very high	81	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.3	176.5	-167.2	-162.5	0	0	0	110.1	P864 D870 I872 L873 Y910 L911 V939 R953	P864-H937 WeakPolarHBondContact CG-CE1 3.4Å; P864-H937 WeakPolarHBondContact CG-NE2 3.4Å; D870-H937 PolarHBondContact O-CE1 3.06Å; D870-H937 PolarHBondContact O-NE2 2.72Å; D870-H937 VanDerWaalsContact O-NE2 3.09Å; I872-H937 PolarHBondContact O-CD2 3.36Å; L873-H937 HydrophobicContact CD1-CB 3.93Å; Y910-H937 AromaticContact CE2-ND1 3.67Å; Y910-H937 AromaticContact CZ-ND1 3.61Å; Y910-H937 PolarHBondContact OH-ND1 3.07Å; L911-H937 HydrophobicContact CD1-CB 4.1Å; L911-H937 HydrophobicContact CD2-CB 4.46Å; H937-V939 HydrophobicContact CB-CG2 4.43Å; H937-R953 PolarHBondContact N-O 2.94Å; H937-R953 PolarHBondContact O-N 3.14Å
938	L	92.1	Very high	80.2	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	104.9	174.3	-79.8	71.7	0	0	0	108.6	W840 G871 I872 L874 C936 I952 I1090 F1092	W840-L938 HydrophobicContact CD2-CD2 4.43Å; W840-L938 HydrophobicContact CZ2-CD2 4.46Å; G871-L938 CarbonylContact C-O 3.55Å; G871-L938 WeakPolarHBondContact CA-O 3.16Å; I872-L938 PolarHBondContact N-O 3.25Å; I872-L938 VanDerWaalsContact N-O 3.09Å; I872-L938 PolarHBondContact O-N 3.48Å; L874-L938 HydrophobicContact CD1-CD1 4.49Å; C936-L938 VanDerWaalsContact SG-CD1 3.57Å; L938-I952 HydrophobicContact CG-CG1 4.28Å; L938-I1090 HydrophobicContact CD1-CD1 3.75Å; L938-I1090 HydrophobicContact CD2-CD1 4.06Å; L938-I1090 HydrophobicContact CD2-CG2 4.15Å; L938-F1092 HydrophobicContact CD2-CE1 4.07Å
939	V	89.5	Confident	80.2	Confident	35 Å²	35	52.6 Å²	52.6	21%	0.212	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	121.5	-174.7	-173.6	0	0	0	0	110.7	H937 Y950 C951	H937-V939 HydrophobicContact CB-CG2 4.43Å; V939-Y950 WeakPolarHBondContact O-CA 3.19Å; V939-C951 HydrophobicContact CB-CB 4.45Å; V939-C951 PolarHBondContact N-O 2.91Å; V939-C951 PolarHBondContact O-N 3.45Å
940	P	85.5	Confident	80.4	Confident	12 Å²	12	51.3 Å²	51.3	8%	0.078	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	134.9	173.1	-22.4	32.5	0	0	0	112.2	Y942 Y950	P940-Y942 HydrophobicContact CB-CE2 3.92Å; P940-Y950 HydrophobicContact CB-CE1 4.32Å; P940-Y950 HydrophobicContact CG-CD1 4.42Å; P940-Y950 HydrophobicContact CG-CE1 4.06Å
941	R	80	Confident	80.6	Confident	110 Å²	110	51.7 Å²	51.7	42%	0.415	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	106.4	170.4	-75	-170.4	169.2	-145.5	0.7	109.7	K949 C951 N1031	R941-K949 PolarHBondContact N-O 2.85Å; R941-C951 HydrophobicContact CG-CB 4.19Å; R941-N1031 PolarHBondContact NE-OD1 2.84Å; R941-N1031 PolarHBondContact NH1-OD1 3.18Å; R941-N1031 VanDerWaalsContact NH1-OD1 3.15Å; R941-N1031 PolarHBondContact NH2-OD1 3.07Å; R941-N1031 VanDerWaalsContact NH2-OD1 3.12Å
942	Y	67.2	Low	80.6	Confident	128 Å²	128	51.7 Å²	51.7	50%	0.502	27%	0.265	S	S	.	.			trans	-80.1	120.6	173.8	-61.7	-83.8	0	0	0	110.5	A869 P940	A869-Y942 HydrophobicContact CB-CE2 3.85Å; P940-Y942 HydrophobicContact CB-CE2 3.92Å
943	H	59.2	Low	80.6	Confident	138 Å²	138	52.7 Å²	52.7	64%	0.639	27%	0.268	S	S	*	.			trans	-123.6	133.2	164.8	-75.4	-0	0	0	0	108	G945 A946	H943-G945 PolarHBondContact O-N 3.21Å; H943-G945 VanDerWaalsContact O-N 3.13Å; H943-A946 HydrophobicContact CB-CB 4.41Å; H943-A946 PolarHBondContact O-N 3.29Å
944	R	53.6	Low	80.7	Confident	264 Å²	264	52.7 Å²	52.7	100%	0.996	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	118.1	-177.1	-71.3	-176.6	175.5	-176.7	-0.8	109.7
945	G	54	Low	80.7	Confident	94 Å²	94	52.7 Å²	52.7	97%	0.969	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	7.8	175.3	0	0	0	0	0	116.8	H943	H943-G945 PolarHBondContact O-N 3.21Å; H943-G945 VanDerWaalsContact O-N 3.13Å
946	A	56.7	Low	80.7	Confident	64 Å²	64	52.7 Å²	52.7	53%	0.529	27%	0.268	S	S	.	.	S	Bend	trans	-115.1	162.2	175.6	0	0	0	0	0	112.5	H943	H943-A946 HydrophobicContact CB-CB 4.41Å; H943-A946 PolarHBondContact O-N 3.29Å
947	S	62.6	Low	80.6	Confident	72 Å²	72	52.7 Å²	52.7	50%	0.503	27%	0.268	S	S	.	.			trans	-60.1	151.3	169.3	45.9	0	0	0	0	111.5	K949	S947-K949 PolarHBondContact O-N 2.99Å
948	R	64.6	Low	80.5	Confident	73 Å²	73	52.7 Å²	52.7	28%	0.275	27%	0.268	S	S	.	.			trans	-55	108.7	173.5	-68.3	-174.9	-170.8	167.5	10.1	108.6	E837 E838 Y950	E837-R948 IonicContact OE2-CZ 2.78Å; E837-R948 IonicContact OE2-NH1 2.74Å; E837-R948 PolarHBondContact OE2-NH1 3.48Å; E837-R948 IonicContact OE2-NH2 3.78Å; E837-R948 PolarHBondContact OE2-NH2 3.12Å; E838-R948 IonicContact OE1-CZ 2.8Å; E838-R948 IonicContact OE1-NH1 3.53Å; E838-R948 PolarHBondContact OE1-NH1 3.33Å; R948-Y950 HydrophobicContact CB-CE2 3.89Å; R948-Y950 VanDerWaalsContact O-CE2 3.27Å; R948-Y950 WeakPolarHBondContact O-CE2 3.38Å
949	K	77.5	Confident	80.5	Confident	81 Å²	81	54 Å²	54	35%	0.352	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	157.5	167.5	-65.4	-152.8	175.4	-132.4	0	108.8	R941 S947 D1034	R941-K949 PolarHBondContact N-O 2.85Å; S947-K949 PolarHBondContact O-N 2.99Å; K949-D1034 IonicContact NZ-OD1 3.18Å; K949-D1034 PolarHBondContact NZ-OD1 3.16Å; K949-D1034 IonicContact NZ-OD2 2.84Å
950	Y	86.7	Confident	80.8	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.016	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	147.7	-174.2	-65.6	-94.5	0	0	0	111	E838 W840 V939 P940 R948 L1032 F1094	E838-Y950 PolarHBondContact OE1-OH 3.18Å; E838-Y950 WeakPolarHBondContact OE2-CE1 3.15Å; E838-Y950 PolarHBondContact OE2-OH 2.67Å; W840-Y950 AromaticContact NE1-CE1 3.82Å; W840-Y950 AromaticContact NE1-CZ 3.98Å; V939-Y950 WeakPolarHBondContact O-CA 3.19Å; P940-Y950 HydrophobicContact CB-CE1 4.32Å; P940-Y950 HydrophobicContact CG-CD1 4.42Å; P940-Y950 HydrophobicContact CG-CE1 4.06Å; R948-Y950 HydrophobicContact CB-CE2 3.89Å; R948-Y950 VanDerWaalsContact O-CE2 3.27Å; R948-Y950 WeakPolarHBondContact O-CE2 3.38Å; Y950-L1032 WeakPolarHBondContact O-CB 3.44Å; Y950-L1032 PolarHBondContact O-N 3.23Å; Y950-F1094 HydrophobicContact CD2-CE1 4.1Å; Y950-F1094 HydrophobicContact CD2-CZ 4.31Å
951	C	91.4	Very high	81.3	Confident	8 Å²	8	51.9 Å²	51.9	5%	0.054	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	117.3	169.6	-163.6	0	0	0	0	107.4	V939 R941 V1029 W1030	V939-C951 HydrophobicContact CB-CB 4.45Å; V939-C951 PolarHBondContact N-O 2.91Å; V939-C951 PolarHBondContact O-N 3.45Å; R941-C951 HydrophobicContact CG-CB 4.19Å; C951-V1029 VanDerWaalsContact SG-CG1 3.57Å; C951-W1030 CarbonylContact C-O 3.52Å; C951-W1030 WeakPolarHBondContact CA-O 2.96Å
952	I	93.9	Very high	82.2	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	136.7	165.2	-73.3	168.7	0	0	0	107.5	L938 V954 L964 L973 W1030 L1032 L1039 F1092	L938-I952 HydrophobicContact CG-CG1 4.28Å; I952-V954 HydrophobicContact CG2-CG2 3.61Å; I952-L964 HydrophobicContact CD1-CD1 4.1Å; I952-L973 HydrophobicContact CG2-CD1 3.8Å; I952-W1030 HydrophobicContact CB-CB 4.26Å; I952-W1030 PolarHBondContact N-O 3.09Å; I952-W1030 PolarHBondContact O-N 3.14Å; I952-L1032 HydrophobicContact CD1-CD1 3.79Å; I952-L1032 HydrophobicContact CD1-CD2 3.7Å; I952-L1032 HydrophobicContact CD1-CG 3.84Å; I952-L1032 HydrophobicContact CG1-CD1 3.79Å; I952-L1032 HydrophobicContact CG1-CD2 4.5Å; I952-L1032 HydrophobicContact CG1-CG 4.09Å; I952-L1039 HydrophobicContact CD1-CD1 4.05Å; I952-L1039 HydrophobicContact CD1-CD2 4.07Å; I952-F1092 HydrophobicContact CD1-CZ 4.03Å
953	R	96.3	Very high	83.7	Confident	21 Å²	21	40.6 Å²	40.6	8%	0.079	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	120.3	170.8	-152.6	164.6	-172.8	-63.8	-25.1	108.5	D908 Y910 L911 C936 H937 E1027 V1029	D908-R953 PolarHBondContact O-NH2 2.69Å; Y910-R953 VanDerWaalsContact CE1-CD 3.46Å; L911-R953 HydrophobicContact CD1-CB 4.01Å; L911-R953 HydrophobicContact CD1-CG 4.13Å; L911-R953 WeakPolarHBondContact CD1-O 3.46Å; C936-R953 CarbonylContact C-O 3.58Å; C936-R953 WeakPolarHBondContact CA-O 3.32Å; H937-R953 PolarHBondContact N-O 2.94Å; H937-R953 PolarHBondContact O-N 3.14Å; R953-E1027 IonicContact CZ-OE1 2.66Å; R953-E1027 IonicContact CZ-OE2 2.73Å; R953-E1027 IonicContact NH1-OE1 3.3Å; R953-E1027 PolarHBondContact NH1-OE1 2.83Å; R953-E1027 IonicContact NH1-OE2 2.68Å; R953-E1027 IonicContact NH2-OE1 3.22Å; R953-E1027 PolarHBondContact NH2-OE1 3.24Å; R953-E1027 IonicContact NH2-OE2 2.69Å; R953-E1027 PolarHBondContact NH2-OE2 3.49Å; R953-V1029 HydrophobicContact CG-CG2 4.15Å
954	V	97.4	Very high	85.5	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	142.5	-175.8	-178.9	0	0	0	0	109.7	L935 C936 I952 V962 L973 T974 E1027 F1028	L935-V954 CarbonylContact O-C 3.41Å; L935-V954 VanDerWaalsContact O-CA 3.25Å; L935-V954 WeakPolarHBondContact O-CA 3.14Å; C936-V954 HydrophobicContact CB-CG2 4.31Å; I952-V954 HydrophobicContact CG2-CG2 3.61Å; V954-V962 HydrophobicContact CG1-CB 4.15Å; V954-V962 HydrophobicContact CG1-CG2 3.83Å; V954-V962 HydrophobicContact CG2-CB 4.46Å; V954-V962 HydrophobicContact CG2-CG1 4.19Å; V954-L973 HydrophobicContact CB-CB 4.39Å; V954-L973 HydrophobicContact CG2-CB 4Å; V954-L973 HydrophobicContact CG2-CD1 3.98Å; V954-T974 HydrophobicContact CG1-CG2 3.62Å; V954-E1027 CarbonylContact O-C 3.59Å; V954-E1027 VanDerWaalsContact O-CA 3.31Å; V954-E1027 WeakPolarHBondContact O-CA 3.5Å; V954-E1027 WeakPolarHBondContact O-CG 3.13Å; V954-F1028 PolarHBondContact N-O 2.95Å; V954-F1028 PolarHBondContact O-N 3.38Å
955	A	97.5	Very high	87.6	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	143.1	162.6	0	0	0	0	0	110.3	L911 L915 A934 L935 Y1026 E1027	L911-A955 HydrophobicContact CB-CB 3.71Å; L915-A955 HydrophobicContact CD1-CB 3.82Å; A934-A955 CarbonylContact C-O 3.41Å; A934-A955 WeakPolarHBondContact CA-O 3.45Å; L935-A955 PolarHBondContact N-O 3.45Å; L935-A955 PolarHBondContact O-N 2.84Å; A955-Y1026 CarbonylContact C-O 3.58Å; A955-Y1026 WeakPolarHBondContact CA-O 3.38Å; A955-Y1026 WeakPolarHBondContact CB-O 3.45Å; A955-E1027 HydrophobicContact CB-CB 4.31Å; A955-E1027 HydrophobicContact CB-CG 4.18Å
956	N	97.1	Very high	89.6	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	148	177.6	82	-78.5	0	0	0	114.1	C933 A934 G958 T974 K975 P1025 Y1026	C933-N956 CarbonylContact O-C 3.54Å; C933-N956 VanDerWaalsContact O-CA 3.25Å; C933-N956 WeakPolarHBondContact O-CA 3.36Å; C933-N956 WeakPolarHBondContact O-CB 3.33Å; A934-N956 HydrophobicContact CB-CB 3.73Å; N956-G958 PolarHBondContact ND2-O 3.44Å; N956-T974 HydrophobicContact CB-CG2 3.76Å; N956-T974 WeakPolarHBondContact OD1-CA 3.43Å; N956-T974 VanDerWaalsContact OD1-CB 3.22Å; N956-T974 WeakPolarHBondContact OD1-CB 3.33Å; N956-T974 WeakPolarHBondContact OD1-CG2 3.34Å; N956-K975 PolarHBondContact ND2-O 3Å; N956-K975 PolarHBondContact OD1-N 2.79Å; N956-P1025 WeakPolarHBondContact O-CA 3.2Å; N956-Y1026 PolarHBondContact N-O 2.96Å; N956-Y1026 PolarHBondContact O-N 2.92Å
957	C	94.5	Very high	91.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	108.6	167.2	-83	0	0	0	0	107.1	S932 C933 R1010 I1012 P1023 P1025	S932-C957 CarbonylContact C-O 3.44Å; S932-C957 WeakPolarHBondContact CA-O 3.35Å; C933-C957 PolarHBondContact N-O 3.48Å; C933-C957 PolarHBondContact O-N 3.34Å; C957-R1010 CarbonylContact C-O 3.21Å; C957-R1010 VanDerWaalsContact C-O 3.3Å; C957-I1012 HydrophobicContact CB-CD1 4.25Å; C957-I1012 HydrophobicContact CB-CG1 3.66Å; C957-P1023 PolarHBondContact SG-O 3.15Å; C957-P1025 WeakPolarHBondContact SG-CA 3.3Å
958	G	93.1	Very high	92.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	120.6	-154.5	-177.6	0	0	0	0	0	112.8	N956 R1010	N956-G958 PolarHBondContact ND2-O 3.44Å; G958-R1010 PolarHBondContact N-O 2.97Å
959	D	91.8	Very high	94.2	Very high	29 Å²	29	21.8 Å²	21.8	16%	0.155	11%	0.108	C	C	.	.	S	Bend	trans	-108	-0.8	-170.2	-57.7	-51.5	0	0	0	113.6	S932 R976 G1044	S932-D959 PolarHBondContact OG-N 2.86Å; D959-R976 HydrophobicContact CB-CG 4.36Å; D959-R976 VanDerWaalsContact OD1-CD 3.28Å; D959-R976 WeakPolarHBondContact OD1-CD 3.29Å; D959-R976 WeakPolarHBondContact OD1-CG 3.48Å; D959-G1044 WeakPolarHBondContact O-CA 3.44Å
960	V	95.9	Very high	95.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.1	C	C	.	.			trans	-66.5	127.8	162.9	-178.9	0	0	0	0	109.5	I876 E878 S932 A934 A1042 N1043	I876-V960 HydrophobicContact CB-CG1 3.77Å; I876-V960 HydrophobicContact CB-CG2 4.47Å; I876-V960 HydrophobicContact CG2-CG1 4.15Å; I876-V960 HydrophobicContact CG2-CG2 4.09Å; E878-V960 HydrophobicContact CB-CG2 4Å; S932-V960 PolarHBondContact OG-N 2.97Å; A934-V960 HydrophobicContact CB-CB 3.99Å; A934-V960 HydrophobicContact CB-CG1 3.49Å; A934-V960 VanDerWaalsContact CB-CG1 3.49Å; V960-A1042 WeakPolarHBondContact CG1-O 3.42Å; V960-N1043 HydrophobicContact CG2-CB 4.4Å
961	E	97.2	Very high	95.7	Very high	3 Å²	3	21.3 Å²	21.3	1%	0.014	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	157	-176.6	-69.2	179	142.5	0	0	113.5	L972 T974 R976 A1042 W1047 Y1052	E961-L972 HydrophobicContact CB-CD1 4.11Å; E961-L972 HydrophobicContact CG-CD1 4.42Å; E961-T974 WeakPolarHBondContact CA-OG1 3.34Å; E961-T974 VanDerWaalsContact CB-OG1 3.29Å; E961-T974 WeakPolarHBondContact CB-OG1 3.31Å; E961-T974 WeakPolarHBondContact CG-OG1 3.44Å; E961-R976 HydrophobicContact CG-CG 4.3Å; E961-R976 WeakPolarHBondContact OE1-CG 3.43Å; E961-R976 IonicContact OE1-CZ 2.65Å; E961-R976 IonicContact OE1-NE 3.08Å; E961-R976 PolarHBondContact OE1-NE 2.66Å; E961-R976 IonicContact OE1-NH2 2.67Å; E961-R976 IonicContact OE2-CZ 3.91Å; E961-R976 VanDerWaalsContact OE2-CZ 3.24Å; E961-R976 IonicContact OE2-NE 3.46Å; E961-R976 PolarHBondContact OE2-NE 2.56Å; E961-R976 VanDerWaalsContact OE2-NE 3.14Å; E961-R976 IonicContact OE2-NH2 3.29Å; E961-R976 PolarHBondContact OE2-NH2 2.9Å; E961-A1042 PolarHBondContact N-O 2.92Å; E961-A1042 VanDerWaalsContact N-O 3.1Å; E961-A1042 PolarHBondContact O-N 2.83Å; E961-A1042 VanDerWaalsContact O-N 3.16Å; E961-W1047 HydrophobicContact CB-CG 4.33Å; E961-W1047 PolarHBondContact O-NE1 2.91Å; E961-Y1052 PolarHBondContact OE1-OH 2.81Å; E961-Y1052 PolarHBondContact OE2-OH 2.96Å
962	V	98.1	Very high	96	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	119.9	-178.4	-172.5	0	0	0	0	109.6	A934 V954 L973 T974 L1039 V1040 L1041	A934-V962 HydrophobicContact CB-CG2 4Å; V954-V962 HydrophobicContact CG1-CB 4.15Å; V954-V962 HydrophobicContact CG1-CG2 3.83Å; V954-V962 HydrophobicContact CG2-CB 4.46Å; V954-V962 HydrophobicContact CG2-CG1 4.19Å; V962-L973 HydrophobicContact CB-CB 4.45Å; V962-L973 HydrophobicContact CG1-CD1 4.41Å; V962-L973 PolarHBondContact O-N 3.44Å; V962-T974 HydrophobicContact CB-CG2 3.9Å; V962-T974 HydrophobicContact CG2-CG2 3.75Å; V962-T974 PolarHBondContact N-OG1 3.39Å; V962-L1039 HydrophobicContact CG1-CD1 3.7Å; V962-L1039 HydrophobicContact CG1-CD2 3.88Å; V962-L1039 HydrophobicContact CG1-CG 3.8Å; V962-V1040 CarbonylContact C-O 3.52Å; V962-V1040 WeakPolarHBondContact CA-O 3.49Å; V962-L1041 HydrophobicContact CB-CG 4.45Å; V962-L1041 HydrophobicContact CG1-CD1 4.23Å; V962-L1041 HydrophobicContact CG1-CG 4.02Å; V962-L1041 HydrophobicContact CG2-CD2 4.23Å; V962-L1041 HydrophobicContact CG2-CG 3.86Å
963	V	98.2	Very high	96.1	Very high	1 Å²	1	24 Å²	24	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	127	-177.1	-179.4	0	0	0	0	110.1	P970 L972 L1039 V1040 W1047 Y1052 V1056	V963-P970 HydrophobicContact CG1-CB 3.81Å; V963-L972 HydrophobicContact CG2-CD1 3.72Å; V963-L1039 CarbonylContact O-C 3.38Å; V963-V1040 PolarHBondContact N-O 2.98Å; V963-V1040 PolarHBondContact O-N 3.26Å; V963-W1047 HydrophobicContact CB-CH2 3.94Å; V963-W1047 HydrophobicContact CB-CZ2 4.43Å; V963-W1047 HydrophobicContact CG2-CH2 3.58Å; V963-W1047 HydrophobicContact CG2-CZ2 3.9Å; V963-W1047 HydrophobicContact CG2-CZ3 4Å; V963-Y1052 HydrophobicContact CG2-CD1 3.7Å; V963-Y1052 HydrophobicContact CG2-CE1 4.09Å; V963-Y1052 HydrophobicContact CG2-CG 4.37Å; V963-V1056 HydrophobicContact CG1-CG2 4.27Å
964	L	97.8	Very high	96.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	140.7	173	-178.9	78.4	0	0	0	110.4	I952 P970 I971 L973 W1030 L1032 D1036 F1038 L1039 F1092	I952-L964 HydrophobicContact CD1-CD1 4.1Å; L964-P970 CarbonylContact O-C 3.57Å; L964-I971 HydrophobicContact CB-CB 4.37Å; L964-I971 PolarHBondContact N-O 2.88Å; L964-I971 PolarHBondContact O-N 2.79Å; L964-L973 HydrophobicContact CB-CD1 4.18Å; L964-L973 HydrophobicContact CB-CD2 4.19Å; L964-L973 HydrophobicContact CB-CG 4.2Å; L964-W1030 HydrophobicContact CD2-CD2 4.22Å; L964-W1030 HydrophobicContact CD2-CG 4.31Å; L964-W1030 HydrophobicContact CD2-CZ2 3.62Å; L964-L1032 HydrophobicContact CD1-CD2 4.05Å; L964-D1036 HydrophobicContact CD1-CB 4.38Å; L964-F1038 WeakPolarHBondContact CD1-O 3.15Å; L964-L1039 HydrophobicContact CB-CD1 3.8Å; L964-L1039 HydrophobicContact CD1-CB 4.48Å; L964-L1039 HydrophobicContact CD1-CD1 3.81Å; L964-L1039 HydrophobicContact CG-CD1 4.44Å; L964-F1092 HydrophobicContact CD1-CE2 3.93Å
965	C	97.6	Very high	95.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.6	166.2	174.7	0	0	0	0	110.5	E969 E1037 F1038 V1056	C965-E969 WeakPolarHBondContact CA-O 3.33Å; C965-E1037 PolarHBondContact O-N 3.08Å; C965-F1038 HydrophobicContact CB-CD1 3.97Å; C965-F1038 HydrophobicContact CB-CD2 3.65Å; C965-F1038 HydrophobicContact CB-CE1 3.71Å; C965-F1038 HydrophobicContact CB-CE2 3.37Å; C965-F1038 HydrophobicContact CB-CG 3.94Å; C965-F1038 HydrophobicContact CB-CZ 3.4Å; C965-F1038 PolarHBondContact N-O 3.2Å; C965-F1038 VanDerWaalsContact SG-CE1 3.57Å; C965-F1038 VanDerWaalsContact SG-CZ 3.57Å; C965-V1056 HydrophobicContact CB-CG1 4.04Å; C965-V1056 HydrophobicContact CB-CG2 4.24Å
966	R	94.7	Very high	95.6	Very high	69 Å²	69	29.4 Å²	29.4	26%	0.26	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.2	169.7	171.9	171.6	-75.2	-178.3	-0.9	109.2	G968 E969 I971 D1036	R966-G968 PolarHBondContact O-N 3.33Å; R966-G968 VanDerWaalsContact O-N 3.08Å; R966-E969 PolarHBondContact N-O 3.35Å; R966-E969 VanDerWaalsContact N-O 3.08Å; R966-E969 PolarHBondContact O-N 3.35Å; R966-I971 HydrophobicContact CB-CD1 3.75Å; R966-I971 HydrophobicContact CG-CD1 4.49Å; R966-D1036 IonicContact CZ-OD1 3.76Å; R966-D1036 IonicContact CZ-OD2 3.93Å; R966-D1036 IonicContact NE-OD1 2.92Å; R966-D1036 PolarHBondContact NE-OD1 3.42Å; R966-D1036 IonicContact NE-OD2 2.78Å; R966-D1036 VanDerWaalsContact NH2-CG 3.25Å; R966-D1036 IonicContact NH2-OD1 3.19Å; R966-D1036 PolarHBondContact NH2-OD1 3.24Å; R966-D1036 IonicContact NH2-OD2 3.8Å; R966-D1036 PolarHBondContact NH2-OD2 3.06Å
967	N	93.5	Very high	95.4	Very high	108 Å²	108	29.6 Å²	29.6	58%	0.578	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	28.5	-177	-68.4	-14.3	0	0	0	114.7	C1035 E1037	N967-C1035 PolarHBondContact N-O 3.01Å; N967-C1035 WeakPolarHBondContact OD1-CB 3.16Å; N967-E1037 VanDerWaalsContact CA-OE1 3.24Å; N967-E1037 WeakPolarHBondContact CA-OE1 3.36Å; N967-E1037 PolarHBondContact N-OE1 2.96Å
968	G	92.5	Very high	95.2	Very high	24 Å²	24	30.7 Å²	30.7	25%	0.247	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	-6.3	-176.7	0	0	0	0	0	116.2	R966 E1037 V1056 R1060	R966-G968 PolarHBondContact O-N 3.33Å; R966-G968 VanDerWaalsContact O-N 3.08Å; G968-E1037 PolarHBondContact N-OE1 3.28Å; G968-V1056 WeakPolarHBondContact O-CG1 3.14Å; G968-R1060 VanDerWaalsContact CA-NH1 3.27Å
969	E	96.5	Very high	94.9	Very high	108 Å²	108	31.4 Å²	31.4	51%	0.505	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	138.5	177	-67.5	-63.4	154.2	0	0	111.8	C965 R966	C965-E969 WeakPolarHBondContact CA-O 3.33Å; R966-E969 PolarHBondContact N-O 3.35Å; R966-E969 VanDerWaalsContact N-O 3.08Å; R966-E969 PolarHBondContact O-N 3.35Å
970	P	97.6	Very high	94.5	Very high	27 Å²	27	33.3 Å²	33.3	18%	0.175	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	131.4	173.8	29.3	-32.4	0	0	0	112.2	V963 L964 Q1053 V1056	V963-P970 HydrophobicContact CG1-CB 3.81Å; L964-P970 CarbonylContact O-C 3.57Å; P970-Q1053 HydrophobicContact CG-CG 4.02Å; P970-V1056 HydrophobicContact CB-CG2 3.88Å
971	I	97.4	Very high	93.7	Very high	48 Å²	48	36.8 Å²	36.8	25%	0.246	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	107.7	173.9	-56	-177.2	0	0	0	108.1	L964 R966 L973 W1030	L964-I971 HydrophobicContact CB-CB 4.37Å; L964-I971 PolarHBondContact N-O 2.88Å; L964-I971 PolarHBondContact O-N 2.79Å; R966-I971 HydrophobicContact CB-CD1 3.75Å; R966-I971 HydrophobicContact CG-CD1 4.49Å; I971-L973 HydrophobicContact CG2-CD2 4.05Å; I971-W1030 HydrophobicContact CD1-CH2 3.77Å; I971-W1030 HydrophobicContact CD1-CZ2 3.9Å; I971-W1030 HydrophobicContact CG2-CH2 4.11Å; I971-W1030 HydrophobicContact CG2-CZ3 4.44Å
972	L	96.4	Very high	93.2	Very high	66 Å²	66	37.3 Å²	37.3	35%	0.346	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	127.3	176.8	-170.3	68.7	0	0	0	110.1	E961 V963 T974 Y1052	E961-L972 HydrophobicContact CB-CD1 4.11Å; E961-L972 HydrophobicContact CG-CD1 4.42Å; V963-L972 HydrophobicContact CG2-CD1 3.72Å; L972-T974 WeakPolarHBondContact CD1-OG1 3.41Å; L972-T974 WeakPolarHBondContact CD2-O 3.41Å; L972-T974 WeakPolarHBondContact CG-O 3.44Å; L972-Y1052 HydrophobicContact CD1-CE1 4.19Å
973	L	97.5	Very high	92.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.			trans	-103.1	0.6	178.8	-51.1	-169.7	0	0	0	113.2	I952 V954 V962 L964 I971 F1028 L1039	I952-L973 HydrophobicContact CG2-CD1 3.8Å; V954-L973 HydrophobicContact CB-CB 4.39Å; V954-L973 HydrophobicContact CG2-CB 4Å; V954-L973 HydrophobicContact CG2-CD1 3.98Å; V962-L973 HydrophobicContact CB-CB 4.45Å; V962-L973 HydrophobicContact CG1-CD1 4.41Å; V962-L973 PolarHBondContact O-N 3.44Å; L964-L973 HydrophobicContact CB-CD1 4.18Å; L964-L973 HydrophobicContact CB-CD2 4.19Å; L964-L973 HydrophobicContact CB-CG 4.2Å; I971-L973 HydrophobicContact CG2-CD2 4.05Å; L973-F1028 HydrophobicContact CB-CD1 4.17Å; L973-F1028 HydrophobicContact CD2-CD1 3.93Å; L973-F1028 HydrophobicContact CD2-CE1 3.77Å; L973-F1028 WeakPolarHBondContact O-CB 3.41Å; L973-L1039 HydrophobicContact CD1-CD1 3.71Å
974	T	96.6	Very high	92.2	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.043	26%	0.256	C	S	.	.	S	Bend	trans	-118.4	168.8	-179	42.4	0	0	0	0	111.4	A934 V954 N956 E961 V962 L972	A934-T974 HydrophobicContact CB-CG2 4.47Å; V954-T974 HydrophobicContact CG1-CG2 3.62Å; N956-T974 HydrophobicContact CB-CG2 3.76Å; N956-T974 WeakPolarHBondContact OD1-CA 3.43Å; N956-T974 VanDerWaalsContact OD1-CB 3.22Å; N956-T974 WeakPolarHBondContact OD1-CB 3.33Å; N956-T974 WeakPolarHBondContact OD1-CG2 3.34Å; E961-T974 WeakPolarHBondContact CA-OG1 3.34Å; E961-T974 VanDerWaalsContact CB-OG1 3.29Å; E961-T974 WeakPolarHBondContact CB-OG1 3.31Å; E961-T974 WeakPolarHBondContact CG-OG1 3.44Å; V962-T974 HydrophobicContact CB-CG2 3.9Å; V962-T974 HydrophobicContact CG2-CG2 3.75Å; V962-T974 PolarHBondContact N-OG1 3.39Å; L972-T974 WeakPolarHBondContact CD1-OG1 3.41Å; L972-T974 WeakPolarHBondContact CD2-O 3.41Å; L972-T974 WeakPolarHBondContact CG-O 3.44Å
975	K	93.4	Very high	91.9	Very high	73 Å²	73	50 Å²	50	32%	0.317	26%	0.257	S	S	.	.			trans	-129.8	124.5	167.8	-177.7	171.7	177.1	-178.8	0	109.6	N956 F977 E984 Y1026	N956-K975 PolarHBondContact ND2-O 3Å; N956-K975 PolarHBondContact OD1-N 2.79Å; K975-F977 HydrophobicContact CB-CE2 4.26Å; K975-F977 HydrophobicContact CB-CZ 4.1Å; K975-F977 HydrophobicContact CD-CD1 4.36Å; K975-F977 HydrophobicContact CD-CE1 3.75Å; K975-F977 HydrophobicContact CD-CZ 4.08Å; K975-F977 HydrophobicContact CG-CD1 4.37Å; K975-F977 HydrophobicContact CG-CE1 4.02Å; K975-F977 HydrophobicContact CG-CE2 4.46Å; K975-F977 HydrophobicContact CG-CZ 4.08Å; K975-F977 VanDerWaalsContact O-CD2 3.26Å; K975-F977 WeakPolarHBondContact O-CD2 3.47Å; K975-F977 VanDerWaalsContact O-CE2 3.3Å; K975-F977 WeakPolarHBondContact O-CE2 3.49Å; K975-E984 IonicContact NZ-OE2 3.24Å; K975-E984 PolarHBondContact NZ-OE2 3.17Å; K975-Y1026 HydrophobicContact CB-CD1 4.05Å; K975-Y1026 HydrophobicContact CB-CD2 4.03Å; K975-Y1026 HydrophobicContact CB-CE1 4.44Å; K975-Y1026 HydrophobicContact CB-CE2 4.45Å; K975-Y1026 HydrophobicContact CB-CG 3.82Å
976	R	90.8	Very high	91.5	Very high	54 Å²	54	51.2 Å²	51.2	20%	0.204	26%	0.261	C	S	.	.			trans	-75.1	141.9	164.7	-100.9	-171.7	-84	-170.5	-6.7	110.2	D959 E961 W1047 Y1052	D959-R976 HydrophobicContact CB-CG 4.36Å; D959-R976 VanDerWaalsContact OD1-CD 3.28Å; D959-R976 WeakPolarHBondContact OD1-CD 3.29Å; D959-R976 WeakPolarHBondContact OD1-CG 3.48Å; E961-R976 HydrophobicContact CG-CG 4.3Å; E961-R976 WeakPolarHBondContact OE1-CG 3.43Å; E961-R976 IonicContact OE1-CZ 2.65Å; E961-R976 IonicContact OE1-NE 3.08Å; E961-R976 PolarHBondContact OE1-NE 2.66Å; E961-R976 IonicContact OE1-NH2 2.67Å; E961-R976 IonicContact OE2-CZ 3.91Å; E961-R976 VanDerWaalsContact OE2-CZ 3.24Å; E961-R976 IonicContact OE2-NE 3.46Å; E961-R976 PolarHBondContact OE2-NE 2.56Å; E961-R976 VanDerWaalsContact OE2-NE 3.14Å; E961-R976 IonicContact OE2-NH2 3.29Å; E961-R976 PolarHBondContact OE2-NH2 2.9Å; R976-W1047 VanDerWaalsContact NH2-CB 3.32Å; R976-W1047 PolarHBondContact NH2-O 2.79Å; R976-Y1052 PolarHBondContact NH2-OH 3.08Å
977	F	91.4	Very high	91.3	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.018	27%	0.267	C	S	.	.			trans	-121.8	66	-175.3	-65.1	-80.2	0	0	0	110.5	K975 E985 C1008 S1009 R1010	K975-F977 HydrophobicContact CB-CE2 4.26Å; K975-F977 HydrophobicContact CB-CZ 4.1Å; K975-F977 HydrophobicContact CD-CD1 4.36Å; K975-F977 HydrophobicContact CD-CE1 3.75Å; K975-F977 HydrophobicContact CD-CZ 4.08Å; K975-F977 HydrophobicContact CG-CD1 4.37Å; K975-F977 HydrophobicContact CG-CE1 4.02Å; K975-F977 HydrophobicContact CG-CE2 4.46Å; K975-F977 HydrophobicContact CG-CZ 4.08Å; K975-F977 VanDerWaalsContact O-CD2 3.26Å; K975-F977 WeakPolarHBondContact O-CD2 3.47Å; K975-F977 VanDerWaalsContact O-CE2 3.3Å; K975-F977 WeakPolarHBondContact O-CE2 3.49Å; F977-E985 HydrophobicContact CB-CG 4.31Å; F977-E985 HydrophobicContact CD1-CG 3.98Å; F977-E985 WeakPolarHBondContact CD1-OE1 3.22Å; F977-C1008 CarbonylContact O-C 3.6Å; F977-C1008 WeakPolarHBondContact O-CA 3.16Å; F977-C1008 PolarHBondContact O-SG 3.35Å; F977-S1009 WeakPolarHBondContact O-CB 3.34Å; F977-S1009 PolarHBondContact O-N 2.85Å; F977-S1009 PolarHBondContact O-OG 2.79Å; F977-S1009 VanDerWaalsContact O-OG 3.05Å; F977-R1010 HydrophobicContact CB-CB 4.1Å; F977-R1010 HydrophobicContact CB-CG 3.8Å; F977-R1010 HydrophobicContact CD1-CG 4.24Å; F977-R1010 VanDerWaalsContact CD1-NE 3.35Å; F977-R1010 HydrophobicContact CD2-CB 3.97Å; F977-R1010 HydrophobicContact CD2-CG 4.05Å; F977-R1010 HydrophobicContact CG-CB 4.16Å; F977-R1010 HydrophobicContact CG-CG 3.8Å
978	T	90.6	Very high	91.3	Very high	23 Å²	23	47.6 Å²	47.6	14%	0.141	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-103.6	153.7	176.7	74.5	0	0	0	0	110.9	E980 S981 S982	T978-E980 PolarHBondContact O-N 2.83Å; T978-E980 PolarHBondContact OG1-N 3.43Å; T978-S981 PolarHBondContact N-OG 3.46Å; T978-S981 PolarHBondContact O-N 3.26Å; T978-S981 PolarHBondContact O-OG 2.91Å; T978-S981 WeakPolarHBondContact OG1-CB 3.02Å; T978-S981 PolarHBondContact OG1-N 3.29Å; T978-S981 VanDerWaalsContact OG1-N 3.17Å; T978-S981 PolarHBondContact OG1-OG 3.06Å; T978-S982 PolarHBondContact O-N 2.78Å
979	A	86.7	Confident	91.2	Very high	16 Å²	16	46.4 Å²	46.4	13%	0.132	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.7	169.9	0	0	0	0	0	112.9	Y986 I989 V996	A979-Y986 HydrophobicContact CB-CD2 4.2Å; A979-I989 HydrophobicContact CB-CD1 4.3Å; A979-V996 HydrophobicContact CB-CG1 3.79Å; A979-V996 HydrophobicContact CB-CG2 4.18Å
980	E	83.8	Confident	90.8	Very high	68 Å²	68	43.6 Å²	43.6	32%	0.318	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-26.5	178	-165.6	168.5	155.5	0	0	113.1	R525 K545 T978 N1000	R525-E980 WeakPolarHBondContact CD-OE1 3.42Å; R525-E980 IonicContact CZ-OE1 3.44Å; R525-E980 IonicContact CZ-OE2 3.3Å; R525-E980 IonicContact NE-OE1 3.55Å; R525-E980 IonicContact NH1-OE1 3.84Å; R525-E980 PolarHBondContact NH1-OE1 2.84Å; R525-E980 IonicContact NH1-OE2 2.64Å; R525-E980 PolarHBondContact NH1-OE2 3.21Å; K545-E980 WeakPolarHBondContact CD-OE1 3.38Å; K545-E980 IonicContact NZ-OE1 3.71Å; K545-E980 PolarHBondContact NZ-OE1 2.71Å; T978-E980 PolarHBondContact O-N 2.83Å; T978-E980 PolarHBondContact OG1-N 3.43Å; E980-N1000 WeakPolarHBondContact CB-ND2 3.42Å; E980-N1000 WeakPolarHBondContact CG-ND2 3.12Å; E980-N1000 PolarHBondContact OE2-ND2 2.77Å
981	S	80.4	Confident	90.2	Very high	74 Å²	74	49.8 Å²	49.8	52%	0.517	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-0.3	-170.6	66.3	0	0	0	0	114.3	T978	T978-S981 PolarHBondContact N-OG 3.46Å; T978-S981 PolarHBondContact O-N 3.26Å; T978-S981 PolarHBondContact O-OG 2.91Å; T978-S981 WeakPolarHBondContact OG1-CB 3.02Å; T978-S981 PolarHBondContact OG1-N 3.29Å; T978-S981 VanDerWaalsContact OG1-N 3.17Å; T978-S981 PolarHBondContact OG1-OG 3.06Å
982	S	86.6	Confident	89.6	Confident	14 Å²	14	49 Å²	49	10%	0.098	25%	0.252	C	S	.	.			trans	-159.8	111.2	-175.7	-177.6	0	0	0	0	112.3	T978 E984 E985 Y986	T978-S982 PolarHBondContact O-N 2.78Å; S982-E984 PolarHBondContact O-N 2.85Å; S982-E985 PolarHBondContact O-N 2.64Å; S982-E985 PolarHBondContact OG-N 2.79Å; S982-Y986 PolarHBondContact O-N 3.48Å
983	E	84.1	Confident	88.7	Confident	126 Å²	126	47.7 Å²	47.7	59%	0.589	26%	0.255	S	S	*	.	H	α-helix	trans	-59.8	-35.2	170.8	-64.4	179.3	143.3	0	0	111.6	N489 E985 Y986 A987	N489-E983 PolarHBondContact ND2-OE1 2.88Å; E983-E985 VanDerWaalsContact C-N 3.33Å; E983-E985 PolarHBondContact O-N 2.81Å; E983-Y986 PolarHBondContact O-N 3.19Å; E983-A987 VanDerWaalsContact O-CB 3.32Å; E983-A987 WeakPolarHBondContact O-CB 3.35Å; E983-A987 PolarHBondContact O-N 2.99Å
984	E	90.1	Very high	87.9	Confident	136 Å²	136	47.8 Å²	47.8	64%	0.636	26%	0.255	S	S	*	.	H	α-helix	trans	-57.3	-44.4	174.7	-52.8	175.7	134.7	0	0	111.9	K975 S982 R988	K975-E984 IonicContact NZ-OE2 3.24Å; K975-E984 PolarHBondContact NZ-OE2 3.17Å; S982-E984 PolarHBondContact O-N 2.85Å; E984-R988 WeakPolarHBondContact O-CB 2.99Å; E984-R988 PolarHBondContact O-N 3.12Å
985	E	91.7	Very high	87	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.019	26%	0.259	C	S	.	.	H	α-helix	trans	-72.8	-39.4	177.5	-71	-63.8	152	0	0	111.8	F977 S982 E983 R988 I989 S1009 R1010	F977-E985 HydrophobicContact CB-CG 4.31Å; F977-E985 HydrophobicContact CD1-CG 3.98Å; F977-E985 WeakPolarHBondContact CD1-OE1 3.22Å; S982-E985 PolarHBondContact O-N 2.64Å; S982-E985 PolarHBondContact OG-N 2.79Å; E983-E985 VanDerWaalsContact C-N 3.33Å; E983-E985 PolarHBondContact O-N 2.81Å; E985-R988 PolarHBondContact O-N 3.19Å; E985-R988 IonicContact OE1-NE 3.16Å; E985-R988 IonicContact OE2-CZ 2.76Å; E985-R988 VanDerWaalsContact OE2-CZ 3.24Å; E985-R988 IonicContact OE2-NE 3.78Å; E985-R988 PolarHBondContact OE2-NE 3.32Å; E985-R988 IonicContact OE2-NH2 3.62Å; E985-R988 PolarHBondContact OE2-NH2 2.82Å; E985-I989 VanDerWaalsContact O-CD1 3.27Å; E985-I989 WeakPolarHBondContact O-CD1 3.45Å; E985-I989 WeakPolarHBondContact O-CG1 3.44Å; E985-I989 PolarHBondContact O-N 2.91Å; E985-S1009 PolarHBondContact OE2-OG 2.78Å; E985-R1010 IonicContact OE1-CZ 3.79Å; E985-R1010 IonicContact OE1-NE 2.88Å; E985-R1010 PolarHBondContact OE1-NE 2.81Å; E985-R1010 IonicContact OE1-NH2 3.89Å; E985-R1010 PolarHBondContact OE1-NH2 2.87Å; E985-R1010 IonicContact OE2-NE 3.67Å
986	Y	89.9	Confident	86.5	Confident	26 Å²	26	44.9 Å²	44.9	10%	0.102	24%	0.244	C	C	.	.	H	α-helix	trans	-57.8	-51.8	173.1	-179.2	-86.5	0	0	0	111.2	H461 A979 S982 E983 R988 I989 R990 V996	H461-Y986 AromaticContact CD2-CE1 3.48Å; H461-Y986 VanDerWaalsContact CD2-CE1 3.48Å; H461-Y986 WeakPolarHBondContact CD2-CE1 3.46Å; H461-Y986 AromaticContact CD2-CE2 3.82Å; H461-Y986 AromaticContact CD2-CZ 3.26Å; H461-Y986 PolarHBondContact CD2-OH 2.9Å; H461-Y986 AromaticContact NE2-CD1 3.46Å; H461-Y986 WeakPolarHBondContact NE2-CD1 3.17Å; H461-Y986 AromaticContact NE2-CE1 3.18Å; H461-Y986 WeakPolarHBondContact NE2-CE1 3.47Å; H461-Y986 AromaticContact NE2-CE2 3.87Å; H461-Y986 AromaticContact NE2-CG 3.95Å; H461-Y986 AromaticContact NE2-CZ 3.41Å; A979-Y986 HydrophobicContact CB-CD2 4.2Å; S982-Y986 PolarHBondContact O-N 3.48Å; E983-Y986 PolarHBondContact O-N 3.19Å; Y986-R988 VanDerWaalsContact C-N 3.31Å; Y986-R988 PolarHBondContact O-N 2.77Å; Y986-I989 WeakPolarHBondContact O-CB 3.25Å; Y986-I989 PolarHBondContact O-N 3.36Å; Y986-I989 VanDerWaalsContact O-N 3.15Å; Y986-R990 HydrophobicContact CD1-CG 3.89Å; Y986-R990 HydrophobicContact CE1-CG 3.36Å; Y986-R990 HydrophobicContact CE2-CG 4.4Å; Y986-R990 WeakPolarHBondContact O-CG 3.32Å; Y986-R990 PolarHBondContact O-N 3.08Å; Y986-V996 HydrophobicContact CD2-CB 4.4Å; Y986-V996 HydrophobicContact CD2-CG2 3.95Å; Y986-V996 HydrophobicContact CE2-CB 3.97Å; Y986-V996 HydrophobicContact CE2-CG1 4.5Å; Y986-V996 HydrophobicContact CE2-CG2 3.86Å
987	A	89.9	Confident	85.6	Confident	46 Å²	46	44.1 Å²	44.1	38%	0.38	24%	0.244	S	C	.	.	H	α-helix	trans	-58.5	-42.3	177.6	0	0	0	0	0	111.4	E983 R990 L991	E983-A987 VanDerWaalsContact O-CB 3.32Å; E983-A987 WeakPolarHBondContact O-CB 3.35Å; E983-A987 PolarHBondContact O-N 2.99Å; A987-R990 PolarHBondContact O-N 2.06Å; A987-L991 WeakPolarHBondContact O-CB 3.41Å; A987-L991 VanDerWaalsContact O-CG 3.23Å; A987-L991 WeakPolarHBondContact O-CG 3.37Å; A987-L991 PolarHBondContact O-N 3.19Å
988	R	92.9	Very high	84.4	Confident	55 Å²	55	49.6 Å²	49.6	21%	0.208	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-47.4	174.4	-171.8	-171.3	63.5	70.2	-4.4	112.2	E984 E985 Y986 R990 L991 S992 S1009 P1019 S1020	E984-R988 WeakPolarHBondContact O-CB 2.99Å; E984-R988 PolarHBondContact O-N 3.12Å; E985-R988 PolarHBondContact O-N 3.19Å; E985-R988 IonicContact OE1-NE 3.16Å; E985-R988 IonicContact OE2-CZ 2.76Å; E985-R988 VanDerWaalsContact OE2-CZ 3.24Å; E985-R988 IonicContact OE2-NE 3.78Å; E985-R988 PolarHBondContact OE2-NE 3.32Å; E985-R988 IonicContact OE2-NH2 3.62Å; E985-R988 PolarHBondContact OE2-NH2 2.82Å; Y986-R988 VanDerWaalsContact C-N 3.31Å; Y986-R988 PolarHBondContact O-N 2.77Å; R988-R990 PolarHBondContact O-N 3.04Å; R988-L991 PolarHBondContact O-N 3.06Å; R988-S992 PolarHBondContact O-N 3.39Å; R988-S992 PolarHBondContact O-OG 3.47Å; R988-S1009 VanDerWaalsContact NH2-CB 3.25Å; R988-S1009 PolarHBondContact NH2-O 3.41Å; R988-S1009 PolarHBondContact NH2-OG 3.29Å; R988-S1009 VanDerWaalsContact NH2-OG 3.15Å; R988-P1019 PolarHBondContact NH1-O 3.36Å; R988-P1019 VanDerWaalsContact NH1-O 3.09Å; R988-S1020 PolarHBondContact NH1-O 3.24Å; R988-S1020 PolarHBondContact NH2-O 2.96Å
989	I	91.2	Very high	83.5	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57.5	-48.6	177.8	-69.1	154.6	0	0	0	110.3	A979 E985 Y986 S992 G993 G994 V996 I1002	A979-I989 HydrophobicContact CB-CD1 4.3Å; E985-I989 VanDerWaalsContact O-CD1 3.27Å; E985-I989 WeakPolarHBondContact O-CD1 3.45Å; E985-I989 WeakPolarHBondContact O-CG1 3.44Å; E985-I989 PolarHBondContact O-N 2.91Å; Y986-I989 WeakPolarHBondContact O-CB 3.25Å; Y986-I989 PolarHBondContact O-N 3.36Å; Y986-I989 VanDerWaalsContact O-N 3.15Å; I989-S992 WeakPolarHBondContact CA-OG 3.33Å; I989-S992 CarbonylContact O-C 3.53Å; I989-S992 PolarHBondContact O-N 3.05Å; I989-S992 PolarHBondContact O-OG 2.94Å; I989-G993 PolarHBondContact O-N 2.87Å; I989-G994 PolarHBondContact O-N 3.11Å; I989-V996 HydrophobicContact CD1-CG2 4.44Å; I989-V996 HydrophobicContact CG2-CG2 3.92Å; I989-I1002 HydrophobicContact CD1-CD1 3.54Å; I989-I1002 HydrophobicContact CD1-CG1 3.85Å; I989-I1002 HydrophobicContact CG1-CD1 4.11Å; I989-I1002 HydrophobicContact CG1-CG1 4.49Å; I989-I1002 HydrophobicContact CG2-CG2 4.01Å
990	R	87.1	Confident	83.2	Confident	48 Å²	48	52.3 Å²	52.3	18%	0.181	28%	0.281	C	S	.	.	H	α-helix	trans	-62.7	-43.8	178.2	-67.1	-57.8	-56.6	121.2	6.7	112.7	N390 F413 Y986 A987 R988 S992 G993 G994	N390-R990 VanDerWaalsContact OD1-CZ 3.25Å; N390-R990 PolarHBondContact OD1-NH1 3.25Å; N390-R990 PolarHBondContact OD1-NH2 3.18Å; F413-R990 PolarHBondContact O-NH2 3.39Å; Y986-R990 HydrophobicContact CD1-CG 3.89Å; Y986-R990 HydrophobicContact CE1-CG 3.36Å; Y986-R990 HydrophobicContact CE2-CG 4.4Å; Y986-R990 WeakPolarHBondContact O-CG 3.32Å; Y986-R990 PolarHBondContact O-N 3.08Å; A987-R990 PolarHBondContact O-N 2.06Å; R988-R990 PolarHBondContact O-N 3.04Å; R990-S992 PolarHBondContact O-N 2.73Å; R990-G993 WeakPolarHBondContact O-CA 3.49Å; R990-G993 PolarHBondContact O-N 3.01Å; R990-G994 PolarHBondContact NH1-O 3.08Å
991	L	85.7	Confident	83.1	Confident	158 Å²	158	49.6 Å²	49.6	83%	0.827	27%	0.27	S	S	*	.	H	α-helix	trans	-63	-25.7	175.7	-74	168.6	0	0	0	113	A987 R988 G993	A987-L991 WeakPolarHBondContact O-CB 3.41Å; A987-L991 VanDerWaalsContact O-CG 3.23Å; A987-L991 WeakPolarHBondContact O-CG 3.37Å; A987-L991 PolarHBondContact O-N 3.19Å; R988-L991 PolarHBondContact O-N 3.06Å; L991-G993 VanDerWaalsContact C-N 3.33Å
992	S	84.1	Confident	83.2	Confident	30 Å²	30	46 Å²	46	21%	0.21	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	6.4	170.4	51.5	0	0	0	0	115	R988 I989 R990 G994 S1020	R988-S992 PolarHBondContact O-N 3.39Å; R988-S992 PolarHBondContact O-OG 3.47Å; I989-S992 WeakPolarHBondContact CA-OG 3.33Å; I989-S992 CarbonylContact O-C 3.53Å; I989-S992 PolarHBondContact O-N 3.05Å; I989-S992 PolarHBondContact O-OG 2.94Å; R990-S992 PolarHBondContact O-N 2.73Å; S992-G994 VanDerWaalsContact C-N 3.32Å; S992-G994 PolarHBondContact O-N 3.11Å; S992-S1020 VanDerWaalsContact OG-CA 3.29Å; S992-S1020 WeakPolarHBondContact OG-CA 3.42Å; S992-S1020 PolarHBondContact OG-N 3.49Å
993	G	77.9	Confident	82.7	Confident	40 Å²	40	48.5 Å²	48.5	41%	0.412	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	-4.3	-180	0	0	0	0	0	115.3	N390 I989 R990 L991	N390-G993 PolarHBondContact ND2-O 3.29Å; I989-G993 PolarHBondContact O-N 2.87Å; R990-G993 WeakPolarHBondContact O-CA 3.49Å; R990-G993 PolarHBondContact O-N 3.01Å; L991-G993 VanDerWaalsContact C-N 3.33Å
994	G	80.8	Confident	82	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.01	25%	0.253	C	S	.	.			trans	-72.6	142.3	-177.5	0	0	0	0	0	113.6	I989 R990 S992 N1003 S1020	I989-G994 PolarHBondContact O-N 3.11Å; R990-G994 PolarHBondContact NH1-O 3.08Å; S992-G994 VanDerWaalsContact C-N 3.32Å; S992-G994 PolarHBondContact O-N 3.11Å; G994-N1003 VanDerWaalsContact CA-OD1 3.27Å; G994-N1003 WeakPolarHBondContact CA-OD1 3.41Å; G994-S1020 WeakPolarHBondContact CA-OG 3.22Å
995	T	77.2	Confident	81.3	Confident	19 Å²	19	40.9 Å²	40.9	12%	0.117	24%	0.239	C	C	.	.			trans	-93.6	160.1	175.1	59	0	0	0	0	111.2	N390 F413 I1002 N1003	N390-T995 HydrophobicContact CB-CG2 3.85Å; N390-T995 WeakPolarHBondContact ND2-CG2 3.06Å; F413-T995 HydrophobicContact CD2-CG2 4.5Å; T995-I1002 CarbonylContact O-C 3.56Å; T995-I1002 WeakPolarHBondContact O-CA 3.11Å; T995-N1003 PolarHBondContact N-OD1 3.49Å; T995-N1003 PolarHBondContact O-N 3.4Å
996	V	82.8	Confident	81	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.006	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-128.7	104.6	176.1	-178.5	0	0	0	0	109.2	F413 R460 A979 Y986 I989	F413-V996 WeakPolarHBondContact CZ-O 3.31Å; R460-V996 PolarHBondContact NH1-O 3.28Å; A979-V996 HydrophobicContact CB-CG1 3.79Å; A979-V996 HydrophobicContact CB-CG2 4.18Å; Y986-V996 HydrophobicContact CD2-CB 4.4Å; Y986-V996 HydrophobicContact CD2-CG2 3.95Å; Y986-V996 HydrophobicContact CE2-CB 3.97Å; Y986-V996 HydrophobicContact CE2-CG1 4.5Å; Y986-V996 HydrophobicContact CE2-CG2 3.86Å; I989-V996 HydrophobicContact CD1-CG2 4.44Å; I989-V996 HydrophobicContact CG2-CG2 3.92Å
997	D	72	Confident	80.8	Confident	37 Å²	37	46 Å²	46	20%	0.198	26%	0.259	C	S	.	.			trans	-67.6	172.5	-173.9	100.7	-39.3	0	0	0	112.9	R460 N999 N1000 A1001	R460-D997 PolarHBondContact NH1-O 3.17Å; R460-D997 VanDerWaalsContact NH1-O 3.15Å; R460-D997 PolarHBondContact NH2-O 3.32Å; D997-N999 VanDerWaalsContact CG-N 3.34Å; D997-N999 PolarHBondContact O-N 3.35Å; D997-N999 VanDerWaalsContact OD1-CA 3.29Å; D997-N999 WeakPolarHBondContact OD1-CA 3.5Å; D997-N999 VanDerWaalsContact OD1-CB 3.32Å; D997-N999 WeakPolarHBondContact OD1-CB 3.48Å; D997-N999 PolarHBondContact OD1-N 2.9Å; D997-N999 PolarHBondContact OD2-ND2 3.24Å; D997-N1000 WeakPolarHBondContact O-CA 3.45Å; D997-N1000 PolarHBondContact O-N 3.39Å; D997-N1000 PolarHBondContact OD1-N 2.8Å; D997-A1001 PolarHBondContact N-O 3.16Å; D997-A1001 WeakPolarHBondContact OD1-CA 3.34Å; D997-A1001 VanDerWaalsContact OD1-CB 3.31Å; D997-A1001 WeakPolarHBondContact OD1-CB 3.28Å; D997-A1001 PolarHBondContact OD1-N 2.8Å
998	Q	67.4	Low	80.9	Confident	119 Å²	119	44 Å²	44	56%	0.556	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-12.3	176.9	64.8	-165.4	-31.6	0	0	116.3	R486	R486-Q998 PolarHBondContact NH1-O 3.44Å
999	N	70.9	Confident	80.9	Confident	91 Å²	91	41.3 Å²	41.3	49%	0.487	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	9.1	176.5	-56.4	-74.9	0	0	0	112.3	D997 A1001 R1007	D997-N999 VanDerWaalsContact CG-N 3.34Å; D997-N999 PolarHBondContact O-N 3.35Å; D997-N999 VanDerWaalsContact OD1-CA 3.29Å; D997-N999 WeakPolarHBondContact OD1-CA 3.5Å; D997-N999 VanDerWaalsContact OD1-CB 3.32Å; D997-N999 WeakPolarHBondContact OD1-CB 3.48Å; D997-N999 PolarHBondContact OD1-N 2.9Å; D997-N999 PolarHBondContact OD2-ND2 3.24Å; N999-A1001 PolarHBondContact O-N 3.44Å; N999-R1007 PolarHBondContact O-NE 2.81Å
1000	N	80.4	Confident	81.1	Confident	6 Å²	6	43.3 Å²	43.3	3%	0.032	24%	0.239	C	C	.	.	S	Bend	trans	60.8	26.4	-170.2	-65	-15.2	0	0	0	114	R460 R525 E980 D997 R1007	R460-N1000 PolarHBondContact NH2-OD1 3.37Å; R525-N1000 PolarHBondContact NH1-ND2 2.83Å; R525-N1000 PolarHBondContact NH2-ND2 2.68Å; R525-N1000 VanDerWaalsContact NH2-ND2 3.1Å; R525-N1000 PolarHBondContact NH2-OD1 2.64Å; E980-N1000 WeakPolarHBondContact CB-ND2 3.42Å; E980-N1000 WeakPolarHBondContact CG-ND2 3.12Å; E980-N1000 PolarHBondContact OE2-ND2 2.77Å; D997-N1000 WeakPolarHBondContact O-CA 3.45Å; D997-N1000 PolarHBondContact O-N 3.39Å; D997-N1000 PolarHBondContact OD1-N 2.8Å; N1000-R1007 WeakPolarHBondContact O-CA 3.42Å
1001	A	81.2	Confident	81.4	Confident	10 Å²	10	41 Å²	41	8%	0.083	23%	0.23	C	C	.	.			trans	-91.4	126.3	175.1	0	0	0	0	0	111.7	D997 N999 N1003 G1004 V1006	D997-A1001 PolarHBondContact N-O 3.16Å; D997-A1001 WeakPolarHBondContact OD1-CA 3.34Å; D997-A1001 VanDerWaalsContact OD1-CB 3.31Å; D997-A1001 WeakPolarHBondContact OD1-CB 3.28Å; D997-A1001 PolarHBondContact OD1-N 2.8Å; N999-A1001 PolarHBondContact O-N 3.44Å; A1001-N1003 PolarHBondContact O-N 3.05Å; A1001-G1004 PolarHBondContact O-N 3.01Å; A1001-V1006 CarbonylContact C-O 3.49Å; A1001-V1006 WeakPolarHBondContact CA-O 3.34Å
1002	I	83.1	Confident	81.7	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-69.6	124.4	177.8	-57	168.3	0	0	0	108.5	I989 T995 G1004 T1005 V1006 V1021	I989-I1002 HydrophobicContact CD1-CD1 3.54Å; I989-I1002 HydrophobicContact CD1-CG1 3.85Å; I989-I1002 HydrophobicContact CG1-CD1 4.11Å; I989-I1002 HydrophobicContact CG1-CG1 4.49Å; I989-I1002 HydrophobicContact CG2-CG2 4.01Å; T995-I1002 CarbonylContact O-C 3.56Å; T995-I1002 WeakPolarHBondContact O-CA 3.11Å; I1002-G1004 PolarHBondContact O-N 3.27Å; I1002-G1004 VanDerWaalsContact O-N 3.13Å; I1002-T1005 PolarHBondContact O-N 3.32Å; I1002-V1006 WeakPolarHBondContact CB-O 3.39Å; I1002-V1006 WeakPolarHBondContact CG1-O 3.28Å; I1002-V1006 PolarHBondContact N-O 3.02Å; I1002-V1006 PolarHBondContact O-N 2.99Å; I1002-V1021 HydrophobicContact CD1-CG2 4.23Å; I1002-V1021 HydrophobicContact CG2-CG2 4.17Å
1003	N	76.3	Confident	82.1	Confident	65 Å²	65	32.2 Å²	32.2	35%	0.348	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.9	39.7	-169.1	-62.2	0.6	0	0	0	111.9	G994 T995 A1001 T1005 L1017	G994-N1003 VanDerWaalsContact CA-OD1 3.27Å; G994-N1003 WeakPolarHBondContact CA-OD1 3.41Å; T995-N1003 PolarHBondContact N-OD1 3.49Å; T995-N1003 PolarHBondContact O-N 3.4Å; A1001-N1003 PolarHBondContact O-N 3.05Å; N1003-T1005 PolarHBondContact O-N 3.09Å; N1003-T1005 PolarHBondContact O-OG1 3.19Å; N1003-L1017 HydrophobicContact CB-CD2 3.97Å
1004	G	69.6	Low	82.5	Confident	49 Å²	49	30.3 Å²	30.3	51%	0.505	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	8.1	-177.8	0	0	0	0	0	116	A1001 I1002	A1001-G1004 PolarHBondContact O-N 3.01Å; I1002-G1004 PolarHBondContact O-N 3.27Å; I1002-G1004 VanDerWaalsContact O-N 3.13Å
1005	T	75.4	Confident	82.7	Confident	54 Å²	54	30.5 Å²	30.5	33%	0.331	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-51.8	-165.9	-50.7	0	0	0	0	114	F881 I1002 N1003 F1016 L1017	F881-T1005 HydrophobicContact CE1-CG2 4.43Å; F881-T1005 HydrophobicContact CZ-CG2 3.85Å; I1002-T1005 PolarHBondContact O-N 3.32Å; N1003-T1005 PolarHBondContact O-N 3.09Å; N1003-T1005 PolarHBondContact O-OG1 3.19Å; T1005-F1016 HydrophobicContact CG2-CE2 4.44Å; T1005-F1016 HydrophobicContact CG2-CZ 3.94Å; T1005-L1017 HydrophobicContact CG2-CD1 4.09Å
1006	V	85.5	Confident	82.8	Confident	9 Å²	9	32.4 Å²	32.4	6%	0.055	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-138.3	143.7	-174.3	-59.2	0	0	0	0	112.3	L880 F881 A1001 I1002 L1011 L1017 V1021	L880-V1006 HydrophobicContact CD1-CG1 4.06Å; F881-V1006 HydrophobicContact CZ-CG1 3.76Å; A1001-V1006 CarbonylContact C-O 3.49Å; A1001-V1006 WeakPolarHBondContact CA-O 3.34Å; I1002-V1006 WeakPolarHBondContact CB-O 3.39Å; I1002-V1006 WeakPolarHBondContact CG1-O 3.28Å; I1002-V1006 PolarHBondContact N-O 3.02Å; I1002-V1006 PolarHBondContact O-N 2.99Å; V1006-L1011 HydrophobicContact CB-CD1 3.94Å; V1006-L1011 HydrophobicContact CG1-CD1 4.16Å; V1006-L1011 HydrophobicContact CG2-CD1 3.81Å; V1006-L1017 HydrophobicContact CG1-CD1 4.24Å; V1006-L1017 HydrophobicContact CG2-CD1 3.61Å; V1006-V1021 HydrophobicContact CG2-CG2 3.75Å
1007	R	86.1	Confident	82.9	Confident	129 Å²	129	32.6 Å²	32.6	49%	0.487	17%	0.171	S	C	.	.	S	Bend	trans	-80.6	-31.5	-179.5	-70.1	-178	177.9	146.1	1.9	114.5	N999 N1000	N999-R1007 PolarHBondContact O-NE 2.81Å; N1000-R1007 WeakPolarHBondContact O-CA 3.42Å
1008	C	91.4	Very high	83.5	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.014	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-91.2	127.7	-178.2	-157.5	0	0	0	0	110.7	F977 R1010 L1011	F977-C1008 CarbonylContact O-C 3.6Å; F977-C1008 WeakPolarHBondContact O-CA 3.16Å; F977-C1008 PolarHBondContact O-SG 3.35Å; C1008-R1010 VanDerWaalsContact C-N 3.26Å; C1008-R1010 PolarHBondContact O-N 2.86Å; C1008-L1011 HydrophobicContact CB-CD1 4.45Å; C1008-L1011 HydrophobicContact CB-CD2 4.2Å; C1008-L1011 HydrophobicContact CB-CG 4.22Å; C1008-L1011 WeakPolarHBondContact O-CD1 3.38Å
1009	S	93.3	Very high	84.5	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-80	-6.2	-176.5	80.2	0	0	0	0	113.5	F977 E985 R988 V1021 V1022	F977-S1009 WeakPolarHBondContact O-CB 3.34Å; F977-S1009 PolarHBondContact O-N 2.85Å; F977-S1009 PolarHBondContact O-OG 2.79Å; F977-S1009 VanDerWaalsContact O-OG 3.05Å; E985-S1009 PolarHBondContact OE2-OG 2.78Å; R988-S1009 VanDerWaalsContact NH2-CB 3.25Å; R988-S1009 PolarHBondContact NH2-O 3.41Å; R988-S1009 PolarHBondContact NH2-OG 3.29Å; R988-S1009 VanDerWaalsContact NH2-OG 3.15Å; S1009-V1021 VanDerWaalsContact O-CA 3.3Å; S1009-V1021 WeakPolarHBondContact O-CA 3.29Å; S1009-V1022 PolarHBondContact O-N 3.11Å; S1009-V1022 VanDerWaalsContact O-N 3.14Å
1010	R	94.1	Very high	85.3	Confident	41 Å²	41	26 Å²	26	16%	0.155	14%	0.139	C	C	.	.	S	Bend	trans	-135.8	108.5	179.4	-53.1	-162	-168	-171.1	3.2	111.8	C957 G958 F977 E985 C1008 V1022 I1024	C957-R1010 CarbonylContact C-O 3.21Å; C957-R1010 VanDerWaalsContact C-O 3.3Å; G958-R1010 PolarHBondContact N-O 2.97Å; F977-R1010 HydrophobicContact CB-CB 4.1Å; F977-R1010 HydrophobicContact CB-CG 3.8Å; F977-R1010 HydrophobicContact CD1-CG 4.24Å; F977-R1010 VanDerWaalsContact CD1-NE 3.35Å; F977-R1010 HydrophobicContact CD2-CB 3.97Å; F977-R1010 HydrophobicContact CD2-CG 4.05Å; F977-R1010 HydrophobicContact CG-CB 4.16Å; F977-R1010 HydrophobicContact CG-CG 3.8Å; E985-R1010 IonicContact OE1-CZ 3.79Å; E985-R1010 IonicContact OE1-NE 2.88Å; E985-R1010 PolarHBondContact OE1-NE 2.81Å; E985-R1010 IonicContact OE1-NH2 3.89Å; E985-R1010 PolarHBondContact OE1-NH2 2.87Å; E985-R1010 IonicContact OE2-NE 3.67Å; C1008-R1010 VanDerWaalsContact C-N 3.26Å; C1008-R1010 PolarHBondContact O-N 2.86Å; R1010-V1022 WeakPolarHBondContact CA-O 3.37Å; R1010-V1022 WeakPolarHBondContact CB-O 3.18Å; R1010-V1022 HydrophobicContact CG-CG2 4.36Å; R1010-I1024 WeakPolarHBondContact CD-O 3.3Å; R1010-I1024 PolarHBondContact NH1-O 2.92Å
1011	L	93.4	Very high	85.8	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.139	C	C	.	.			trans	-142.2	155.6	-169.9	-73.1	167.7	0	0	0	111.4	L880 V1006 C1008 G1013 V1021 P1023	L880-L1011 HydrophobicContact CD1-CD1 3.53Å; L880-L1011 HydrophobicContact CD1-CD2 3.94Å; L880-L1011 HydrophobicContact CD1-CG 4.33Å; V1006-L1011 HydrophobicContact CB-CD1 3.94Å; V1006-L1011 HydrophobicContact CG1-CD1 4.16Å; V1006-L1011 HydrophobicContact CG2-CD1 3.81Å; C1008-L1011 HydrophobicContact CB-CD1 4.45Å; C1008-L1011 HydrophobicContact CB-CD2 4.2Å; C1008-L1011 HydrophobicContact CB-CG 4.22Å; C1008-L1011 WeakPolarHBondContact O-CD1 3.38Å; L1011-G1013 PolarHBondContact O-N 2.93Å; L1011-V1021 HydrophobicContact CB-CG1 3.98Å; L1011-V1021 HydrophobicContact CD1-CG1 4.28Å; L1011-V1021 HydrophobicContact CG-CG1 4.44Å; L1011-P1023 WeakPolarHBondContact O-CA 3.29Å
1012	I	94	Very high	86.4	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	95.2	176.5	-50.2	-175.7	0	0	0	108.6	L889 L915 A918 H919 L922 G930 V931 C933 C957	L889-I1012 HydrophobicContact CD1-CB 4.43Å; L889-I1012 HydrophobicContact CD1-CG2 3.81Å; L915-I1012 HydrophobicContact CB-CD1 3.98Å; L915-I1012 HydrophobicContact CD1-CD1 4.43Å; L915-I1012 HydrophobicContact CD2-CD1 3.72Å; L915-I1012 HydrophobicContact CG-CD1 4.24Å; A918-I1012 HydrophobicContact CB-CG2 4.14Å; H919-I1012 HydrophobicContact CB-CG2 3.89Å; L922-I1012 HydrophobicContact CD1-CG2 4.13Å; G930-I1012 WeakPolarHBondContact CA-O 3.19Å; V931-I1012 PolarHBondContact N-O 2.77Å; V931-I1012 PolarHBondContact O-N 3.04Å; C933-I1012 HydrophobicContact CB-CD1 3.7Å; C957-I1012 HydrophobicContact CB-CD1 4.25Å; C957-I1012 HydrophobicContact CB-CG1 3.66Å
1013	G	90.4	Very high	86.8	Confident	3 Å²	3	25.8 Å²	25.8	3%	0.031	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	118.1	-144.6	-176.3	0	0	0	0	0	110.1	H919 G926 Q929 L1011 S1015	H919-G1013 PolarHBondContact ND1-N 3.05Å; H919-G1013 VanDerWaalsContact ND1-N 3.14Å; G926-G1013 CarbonylContact O-C 3.48Å; G926-G1013 WeakPolarHBondContact O-CA 3.23Å; Q929-G1013 WeakPolarHBondContact O-CA 3.48Å; L1011-G1013 PolarHBondContact O-N 2.93Å; G1013-S1015 PolarHBondContact O-N 3.28Å; G1013-S1015 VanDerWaalsContact O-N 3.16Å
1014	C	86.6	Confident	87.6	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.131	C	C	.	.			trans	51.7	31.1	-176	-66.3	0	0	0	0	113.5	G926 Q927 Q929 F1016 L1017	G926-C1014 PolarHBondContact O-N 2.95Å; Q927-C1014 CarbonylContact O-C 3.54Å; Q927-C1014 VanDerWaalsContact O-CA 3.23Å; Q927-C1014 WeakPolarHBondContact O-CA 3.42Å; Q929-C1014 PolarHBondContact O-N 3.18Å; C1014-F1016 HydrophobicContact CB-CE1 4.43Å; C1014-F1016 PolarHBondContact O-N 3.19Å; C1014-L1017 HydrophobicContact CB-CD1 4.22Å; C1014-L1017 WeakPolarHBondContact O-CB 3.35Å; C1014-L1017 PolarHBondContact O-N 2.95Å
1015	S	86.4	Confident	88.8	Confident	4 Å²	4	22.7 Å²	22.7	3%	0.028	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-61.1	-17.5	-164	-46.4	0	0	0	0	115.3	N124 H919 G926 Q927 G1013 L1017 Y1018	N124-S1015 WeakPolarHBondContact CB-O 3.48Å; N124-S1015 PolarHBondContact ND2-O 3.4Å; H919-S1015 PolarHBondContact CE1-OG 3.27Å; G926-S1015 PolarHBondContact O-N 3.28Å; G926-S1015 PolarHBondContact O-OG 3.49Å; Q927-S1015 PolarHBondContact O-N 3.06Å; G1013-S1015 PolarHBondContact O-N 3.28Å; G1013-S1015 VanDerWaalsContact O-N 3.16Å; S1015-L1017 PolarHBondContact O-N 3.09Å; S1015-Y1018 VanDerWaalsContact O-CB 3.32Å; S1015-Y1018 WeakPolarHBondContact O-CB 3.33Å; S1015-Y1018 PolarHBondContact O-N 2.93Å
1016	F	79.5	Confident	89.8	Confident	60 Å²	60	23.6 Å²	23.6	26%	0.263	11%	0.107	S	C	.	.	G	3₁₀ helix	trans	-62.7	-26.9	169.2	63.3	-64.4	0	0	0	114.2	Y182 Q927 R928 T1005 C1014 Y1018	Y182-F1016 HydrophobicContact CE2-CB 3.79Å; Y182-F1016 WeakPolarHBondContact OH-CB 3.13Å; Y182-F1016 WeakPolarHBondContact OH-CD1 3.35Å; Y182-F1016 WeakPolarHBondContact OH-CG 3.32Å; Y182-F1016 PolarHBondContact OH-N 3.44Å; Q927-F1016 WeakPolarHBondContact O-CD1 3.21Å; R928-F1016 HydrophobicContact CG-CE1 4.33Å; T1005-F1016 HydrophobicContact CG2-CE2 4.44Å; T1005-F1016 HydrophobicContact CG2-CZ 3.94Å; C1014-F1016 HydrophobicContact CB-CE1 4.43Å; C1014-F1016 PolarHBondContact O-N 3.19Å; F1016-Y1018 PolarHBondContact O-N 2.88Å
1017	L	83.3	Confident	90.2	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.021	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-82	-0.6	-178.7	-62.4	-179.5	0	0	0	112.9	N1003 T1005 V1006 C1014 S1015 S1020 V1021	N1003-L1017 HydrophobicContact CB-CD2 3.97Å; T1005-L1017 HydrophobicContact CG2-CD1 4.09Å; V1006-L1017 HydrophobicContact CG1-CD1 4.24Å; V1006-L1017 HydrophobicContact CG2-CD1 3.61Å; C1014-L1017 HydrophobicContact CB-CD1 4.22Å; C1014-L1017 WeakPolarHBondContact O-CB 3.35Å; C1014-L1017 PolarHBondContact O-N 2.95Å; S1015-L1017 PolarHBondContact O-N 3.09Å; L1017-S1020 CarbonylContact O-C 3.54Å; L1017-S1020 WeakPolarHBondContact O-CA 3.48Å; L1017-S1020 WeakPolarHBondContact O-CB 3.38Å; L1017-S1020 PolarHBondContact O-N 3.25Å; L1017-V1021 HydrophobicContact CB-CB 3.72Å; L1017-V1021 HydrophobicContact CB-CG2 3.61Å; L1017-V1021 HydrophobicContact CD1-CG2 3.88Å; L1017-V1021 HydrophobicContact CG-CG2 4.41Å; L1017-V1021 PolarHBondContact O-N 3Å
1018	Y	86.1	Confident	90.7	Very high	53 Å²	53	21.5 Å²	21.5	21%	0.208	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	136.9	169.5	175.6	-85.2	0	0	0	110.6	N124 F144 S147 I148 S1015 F1016 V1021 V1022	N124-Y1018 WeakPolarHBondContact ND2-CB 3.42Å; F144-Y1018 AromaticContact CD2-CE1 3.99Å; F144-Y1018 HydrophobicContact CD2-CE1 3.99Å; F144-Y1018 HydrophobicContact CD2-CE2 4.1Å; F144-Y1018 AromaticContact CD2-CZ 3.65Å; F144-Y1018 HydrophobicContact CE2-CD1 4.24Å; F144-Y1018 HydrophobicContact CE2-CD2 4.21Å; F144-Y1018 AromaticContact CE2-CE1 3.93Å; F144-Y1018 HydrophobicContact CE2-CE1 3.93Å; F144-Y1018 AromaticContact CE2-CE2 3.9Å; F144-Y1018 HydrophobicContact CE2-CE2 3.9Å; F144-Y1018 HydrophobicContact CE2-CG 4.4Å; F144-Y1018 AromaticContact CE2-CZ 3.77Å; S147-Y1018 PolarHBondContact OG-OH 2.68Å; I148-Y1018 HydrophobicContact CG2-CD2 4.26Å; I148-Y1018 HydrophobicContact CG2-CE2 4.05Å; S1015-Y1018 VanDerWaalsContact O-CB 3.32Å; S1015-Y1018 WeakPolarHBondContact O-CB 3.33Å; S1015-Y1018 PolarHBondContact O-N 2.93Å; F1016-Y1018 PolarHBondContact O-N 2.88Å; Y1018-V1021 WeakPolarHBondContact CA-O 3.48Å; Y1018-V1022 HydrophobicContact CD2-CG1 4.04Å; Y1018-V1022 HydrophobicContact CE2-CG1 4.28Å
1019	P	86.9	Confident	90.9	Very high	51 Å²	51	24.5 Å²	24.5	33%	0.331	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	cis	-92.6	2.5	9.7	6.1	13.7	0	0	0	114.4	R988 V1022	R988-P1019 PolarHBondContact NH1-O 3.36Å; R988-P1019 VanDerWaalsContact NH1-O 3.09Å; P1019-V1022 WeakPolarHBondContact O-CG1 3.32Å
1020	S	88.8	Confident	91	Very high	4 Å²	4	26.6 Å²	26.6	3%	0.028	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-47.2	179.7	-44.2	0	0	0	0	111.7	R988 S992 G994 L1017	R988-S1020 PolarHBondContact NH1-O 3.24Å; R988-S1020 PolarHBondContact NH2-O 2.96Å; S992-S1020 VanDerWaalsContact OG-CA 3.29Å; S992-S1020 WeakPolarHBondContact OG-CA 3.42Å; S992-S1020 PolarHBondContact OG-N 3.49Å; G994-S1020 WeakPolarHBondContact CA-OG 3.22Å; L1017-S1020 CarbonylContact O-C 3.54Å; L1017-S1020 WeakPolarHBondContact O-CA 3.48Å; L1017-S1020 WeakPolarHBondContact O-CB 3.38Å; L1017-S1020 PolarHBondContact O-N 3.25Å
1021	V	90.8	Very high	90.9	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.024	14%	0.141	C	C	.	.	S	Bend	trans	-102.4	129.8	171.8	-178.2	0	0	0	0	109.6	I1002 V1006 S1009 L1011 L1017 Y1018	I1002-V1021 HydrophobicContact CD1-CG2 4.23Å; I1002-V1021 HydrophobicContact CG2-CG2 4.17Å; V1006-V1021 HydrophobicContact CG2-CG2 3.75Å; S1009-V1021 VanDerWaalsContact O-CA 3.3Å; S1009-V1021 WeakPolarHBondContact O-CA 3.29Å; L1011-V1021 HydrophobicContact CB-CG1 3.98Å; L1011-V1021 HydrophobicContact CD1-CG1 4.28Å; L1011-V1021 HydrophobicContact CG-CG1 4.44Å; L1017-V1021 HydrophobicContact CB-CB 3.72Å; L1017-V1021 HydrophobicContact CB-CG2 3.61Å; L1017-V1021 HydrophobicContact CD1-CG2 3.88Å; L1017-V1021 HydrophobicContact CG-CG2 4.41Å; L1017-V1021 PolarHBondContact O-N 3Å; Y1018-V1021 WeakPolarHBondContact CA-O 3.48Å
1022	V	93	Very high	90.8	Very high	6 Å²	6	29 Å²	29	4%	0.036	14%	0.143	C	C	.	.			trans	-137.4	142	-176.8	-67	0	0	0	0	111.9	S1009 R1010 Y1018 P1019 I1024	S1009-V1022 PolarHBondContact O-N 3.11Å; S1009-V1022 VanDerWaalsContact O-N 3.14Å; R1010-V1022 WeakPolarHBondContact CA-O 3.37Å; R1010-V1022 WeakPolarHBondContact CB-O 3.18Å; R1010-V1022 HydrophobicContact CG-CG2 4.36Å; Y1018-V1022 HydrophobicContact CD2-CG1 4.04Å; Y1018-V1022 HydrophobicContact CE2-CG1 4.28Å; P1019-V1022 WeakPolarHBondContact O-CG1 3.32Å; V1022-I1024 HydrophobicContact CB-CD1 4.24Å; V1022-I1024 HydrophobicContact CB-CG1 4.03Å; V1022-I1024 HydrophobicContact CG2-CB 4.39Å; V1022-I1024 HydrophobicContact CG2-CD1 3.66Å; V1022-I1024 HydrophobicContact CG2-CG1 3.74Å; V1022-I1024 PolarHBondContact O-N 3.27Å
1023	P	92.6	Very high	90.4	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.019	16%	0.155	C	C	.	.			trans	-79.4	26.4	-173.9	37.3	-42.1	0	0	0	113.8	I148 H919 C957 L1011 P1025	I148-P1023 HydrophobicContact CB-CG 3.77Å; I148-P1023 HydrophobicContact CG2-CG 4.22Å; H919-P1023 HydrophobicContact CB-CB 3.82Å; H919-P1023 HydrophobicContact CB-CG 4.34Å; C957-P1023 PolarHBondContact SG-O 3.15Å; L1011-P1023 WeakPolarHBondContact O-CA 3.29Å; P1023-P1025 WeakPolarHBondContact O-CD 3.36Å
1024	I	93.4	Very high	90.2	Very high	40 Å²	40	34.1 Å²	34.1	21%	0.205	17%	0.174	C	C	.	.			trans	-78	105.5	-173	-50.6	173.4	0	0	0	110.7	S147 R1010 V1022	S147-I1024 WeakPolarHBondContact O-CD1 3.36Å; R1010-I1024 WeakPolarHBondContact CD-O 3.3Å; R1010-I1024 PolarHBondContact NH1-O 2.92Å; V1022-I1024 HydrophobicContact CB-CD1 4.24Å; V1022-I1024 HydrophobicContact CB-CG1 4.03Å; V1022-I1024 HydrophobicContact CG2-CB 4.39Å; V1022-I1024 HydrophobicContact CG2-CD1 3.66Å; V1022-I1024 HydrophobicContact CG2-CG1 3.74Å; V1022-I1024 PolarHBondContact O-N 3.27Å
1025	P	94.9	Very high	90.3	Very high	8 Å²	8	36 Å²	36	5%	0.052	19%	0.187	C	C	.	.			trans	-74.9	149.7	-173.5	-12.5	29.9	0	0	0	112.5	K912 L915 I916 N956 C957 P1023	K912-P1025 HydrophobicContact CB-CG 4.47Å; K912-P1025 HydrophobicContact CG-CB 4.26Å; K912-P1025 HydrophobicContact CG-CG 3.98Å; K912-P1025 WeakPolarHBondContact O-CG 3.24Å; L915-P1025 HydrophobicContact CB-CB 4.42Å; L915-P1025 HydrophobicContact CB-CG 3.74Å; L915-P1025 HydrophobicContact CD1-CB 4.09Å; L915-P1025 HydrophobicContact CD1-CG 4.32Å; I916-P1025 HydrophobicContact CD1-CG 4.49Å; I916-P1025 HydrophobicContact CG1-CG 4.02Å; N956-P1025 WeakPolarHBondContact O-CA 3.2Å; C957-P1025 WeakPolarHBondContact SG-CA 3.3Å; P1023-P1025 WeakPolarHBondContact O-CD 3.36Å
1026	Y	95.2	Very high	90.6	Very high	74 Å²	74	35.9 Å²	35.9	29%	0.29	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	150.2	152.2	-172	-115.1	0	0	0	109	A955 N956 K975 F1028	A955-Y1026 CarbonylContact C-O 3.58Å; A955-Y1026 WeakPolarHBondContact CA-O 3.38Å; A955-Y1026 WeakPolarHBondContact CB-O 3.45Å; N956-Y1026 PolarHBondContact N-O 2.96Å; N956-Y1026 PolarHBondContact O-N 2.92Å; K975-Y1026 HydrophobicContact CB-CD1 4.05Å; K975-Y1026 HydrophobicContact CB-CD2 4.03Å; K975-Y1026 HydrophobicContact CB-CE1 4.44Å; K975-Y1026 HydrophobicContact CB-CE2 4.45Å; K975-Y1026 HydrophobicContact CB-CG 3.82Å; Y1026-F1028 HydrophobicContact CE1-CB 3.83Å; Y1026-F1028 HydrophobicContact CE1-CD2 4.43Å; Y1026-F1028 HydrophobicContact CE1-CG 4.41Å; Y1026-F1028 WeakPolarHBondContact OH-CD2 3.3Å
1027	E	94.8	Very high	91.3	Very high	35 Å²	35	33.5 Å²	33.5	16%	0.164	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	135.8	175	-170.2	179.5	-120.7	0	0	110.6	Q909 L911 K912 R953 V954 A955	Q909-E1027 VanDerWaalsContact CA-OE2 3.24Å; Q909-E1027 WeakPolarHBondContact CA-OE2 3.49Å; Q909-E1027 WeakPolarHBondContact CB-OE2 3.2Å; Q909-E1027 WeakPolarHBondContact CG-OE2 3.37Å; L911-E1027 PolarHBondContact N-OE1 3.25Å; K912-E1027 HydrophobicContact CB-CB 4.09Å; K912-E1027 HydrophobicContact CB-CG 4.29Å; K912-E1027 WeakPolarHBondContact CB-OE1 3.15Å; K912-E1027 PolarHBondContact N-OE1 3.5Å; R953-E1027 IonicContact CZ-OE1 2.66Å; R953-E1027 IonicContact CZ-OE2 2.73Å; R953-E1027 IonicContact NH1-OE1 3.3Å; R953-E1027 PolarHBondContact NH1-OE1 2.83Å; R953-E1027 IonicContact NH1-OE2 2.68Å; R953-E1027 IonicContact NH2-OE1 3.22Å; R953-E1027 PolarHBondContact NH2-OE1 3.24Å; R953-E1027 IonicContact NH2-OE2 2.69Å; R953-E1027 PolarHBondContact NH2-OE2 3.49Å; V954-E1027 CarbonylContact O-C 3.59Å; V954-E1027 VanDerWaalsContact O-CA 3.31Å; V954-E1027 WeakPolarHBondContact O-CA 3.5Å; V954-E1027 WeakPolarHBondContact O-CG 3.13Å; A955-E1027 HydrophobicContact CB-CB 4.31Å; A955-E1027 HydrophobicContact CB-CG 4.18Å
1028	F	95.9	Very high	91.9	Very high	59 Å²	59	33.4 Å²	33.4	26%	0.259	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	146.8	-175	-164.7	-108.8	0	0	0	111.8	V954 L973 Y1026 W1030	V954-F1028 PolarHBondContact N-O 2.95Å; V954-F1028 PolarHBondContact O-N 3.38Å; L973-F1028 HydrophobicContact CB-CD1 4.17Å; L973-F1028 HydrophobicContact CD2-CD1 3.93Å; L973-F1028 HydrophobicContact CD2-CE1 3.77Å; L973-F1028 WeakPolarHBondContact O-CB 3.41Å; Y1026-F1028 HydrophobicContact CE1-CB 3.83Å; Y1026-F1028 HydrophobicContact CE1-CD2 4.43Å; Y1026-F1028 HydrophobicContact CE1-CG 4.41Å; Y1026-F1028 WeakPolarHBondContact OH-CD2 3.3Å; F1028-W1030 HydrophobicContact CD1-CB 4.48Å; F1028-W1030 HydrophobicContact CE1-CB 4.22Å; F1028-W1030 HydrophobicContact CE1-CD2 4.44Å; F1028-W1030 AromaticContact CE1-CE3 3.63Å; F1028-W1030 HydrophobicContact CE1-CE3 3.63Å; F1028-W1030 HydrophobicContact CE1-CZ3 4.29Å; F1028-W1030 AromaticContact CZ-CE3 3.99Å; F1028-W1030 HydrophobicContact CZ-CE3 3.99Å; F1028-W1030 HydrophobicContact CZ-CZ3 4.33Å
1029	V	95.6	Very high	92.4	Very high	64 Å²	64	30.9 Å²	30.9	39%	0.388	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	118.5	-177.8	-170.1	0	0	0	0	109	C951 R953	C951-V1029 VanDerWaalsContact SG-CG1 3.57Å; R953-V1029 HydrophobicContact CG-CG2 4.15Å
1030	W	94.7	Very high	92.9	Very high	44 Å²	44	28.5 Å²	28.5	17%	0.167	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	129.7	179.8	-171.4	-97.8	0	0	0	111.4	C951 I952 L964 I971 F1028 D1036	C951-W1030 CarbonylContact C-O 3.52Å; C951-W1030 WeakPolarHBondContact CA-O 2.96Å; I952-W1030 HydrophobicContact CB-CB 4.26Å; I952-W1030 PolarHBondContact N-O 3.09Å; I952-W1030 PolarHBondContact O-N 3.14Å; L964-W1030 HydrophobicContact CD2-CD2 4.22Å; L964-W1030 HydrophobicContact CD2-CG 4.31Å; L964-W1030 HydrophobicContact CD2-CZ2 3.62Å; I971-W1030 HydrophobicContact CD1-CH2 3.77Å; I971-W1030 HydrophobicContact CD1-CZ2 3.9Å; I971-W1030 HydrophobicContact CG2-CH2 4.11Å; I971-W1030 HydrophobicContact CG2-CZ3 4.44Å; F1028-W1030 HydrophobicContact CD1-CB 4.48Å; F1028-W1030 HydrophobicContact CE1-CB 4.22Å; F1028-W1030 HydrophobicContact CE1-CD2 4.44Å; F1028-W1030 AromaticContact CE1-CE3 3.63Å; F1028-W1030 HydrophobicContact CE1-CE3 3.63Å; F1028-W1030 HydrophobicContact CE1-CZ3 4.29Å; F1028-W1030 AromaticContact CZ-CE3 3.99Å; F1028-W1030 HydrophobicContact CZ-CE3 3.99Å; F1028-W1030 HydrophobicContact CZ-CZ3 4.33Å; W1030-D1036 PolarHBondContact NE1-OD2 3.21Å; W1030-D1036 VanDerWaalsContact NE1-OD2 3.09Å
1031	N	92.8	Very high	93.4	Very high	83 Å²	83	28.3 Å²	28.3	44%	0.444	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	115.7	173.5	-61.2	-77.1	0	0	0	108	R941	R941-N1031 PolarHBondContact NE-OD1 2.84Å; R941-N1031 PolarHBondContact NH1-OD1 3.18Å; R941-N1031 VanDerWaalsContact NH1-OD1 3.15Å; R941-N1031 PolarHBondContact NH2-OD1 3.07Å; R941-N1031 VanDerWaalsContact NH2-OD1 3.12Å
1032	L	90.3	Very high	93.7	Very high	9 Å²	9	28.1 Å²	28.1	5%	0.047	15%	0.148	C	C	.	.			trans	-67	135.3	-179.1	-77.7	164.7	0	0	0	110.7	Y950 I952 L964 D1036 F1092 F1094	Y950-L1032 WeakPolarHBondContact O-CB 3.44Å; Y950-L1032 PolarHBondContact O-N 3.23Å; I952-L1032 HydrophobicContact CD1-CD1 3.79Å; I952-L1032 HydrophobicContact CD1-CD2 3.7Å; I952-L1032 HydrophobicContact CD1-CG 3.84Å; I952-L1032 HydrophobicContact CG1-CD1 3.79Å; I952-L1032 HydrophobicContact CG1-CD2 4.5Å; I952-L1032 HydrophobicContact CG1-CG 4.09Å; L964-L1032 HydrophobicContact CD1-CD2 4.05Å; L1032-D1036 WeakPolarHBondContact CA-OD2 3.25Å; L1032-D1036 HydrophobicContact CD2-CB 3.45Å; L1032-D1036 VanDerWaalsContact CD2-CB 3.45Å; L1032-D1036 WeakPolarHBondContact CD2-OD2 3.19Å; L1032-F1092 HydrophobicContact CD1-CD1 4.17Å; L1032-F1092 HydrophobicContact CD1-CE1 3.71Å; L1032-F1092 HydrophobicContact CD1-CE2 4.33Å; L1032-F1092 HydrophobicContact CD1-CZ 3.82Å; L1032-F1092 HydrophobicContact CD2-CD2 4.12Å; L1032-F1092 HydrophobicContact CD2-CE2 3.73Å; L1032-F1092 HydrophobicContact CD2-CZ 4Å; L1032-F1094 HydrophobicContact CB-CE2 4.13Å; L1032-F1094 HydrophobicContact CB-CZ 4.07Å; L1032-F1094 HydrophobicContact CD1-CZ 4.29Å
1033	A	87.5	Confident	93.9	Very high	31 Å²	31	27.9 Å²	27.9	26%	0.256	15%	0.146	S	C	.	.			trans	-116.2	164.5	175.8	0	0	0	0	0	110.4	C1035 D1036	A1033-C1035 PolarHBondContact O-N 2.95Å; A1033-D1036 PolarHBondContact N-OD2 3.36Å; A1033-D1036 WeakPolarHBondContact O-CB 3.34Å; A1033-D1036 PolarHBondContact O-N 2.64Å
1034	D	85.1	Confident	93.8	Very high	80 Å²	80	27.8 Å²	27.8	43%	0.428	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-5.8	-172.5	-43.2	-11.1	0	0	0	112.8	K949	K949-D1034 IonicContact NZ-OD1 3.18Å; K949-D1034 PolarHBondContact NZ-OD1 3.16Å; K949-D1034 IonicContact NZ-OD2 2.84Å
1035	C	89.6	Confident	93.8	Very high	40 Å²	40	26 Å²	26	27%	0.27	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-2.2	173.4	57.1	0	0	0	0	114.9	N967 A1033	N967-C1035 PolarHBondContact N-O 3.01Å; N967-C1035 WeakPolarHBondContact OD1-CB 3.16Å; A1033-C1035 PolarHBondContact O-N 2.95Å
1036	D	92.7	Very high	93.8	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	128.6	171.6	-65.5	-38.2	0	0	0	109.5	L964 R966 W1030 L1032 A1033 F1092	L964-D1036 HydrophobicContact CD1-CB 4.38Å; R966-D1036 IonicContact CZ-OD1 3.76Å; R966-D1036 IonicContact CZ-OD2 3.93Å; R966-D1036 IonicContact NE-OD1 2.92Å; R966-D1036 PolarHBondContact NE-OD1 3.42Å; R966-D1036 IonicContact NE-OD2 2.78Å; R966-D1036 VanDerWaalsContact NH2-CG 3.25Å; R966-D1036 IonicContact NH2-OD1 3.19Å; R966-D1036 PolarHBondContact NH2-OD1 3.24Å; R966-D1036 IonicContact NH2-OD2 3.8Å; R966-D1036 PolarHBondContact NH2-OD2 3.06Å; W1030-D1036 PolarHBondContact NE1-OD2 3.21Å; W1030-D1036 VanDerWaalsContact NE1-OD2 3.09Å; L1032-D1036 WeakPolarHBondContact CA-OD2 3.25Å; L1032-D1036 HydrophobicContact CD2-CB 3.45Å; L1032-D1036 VanDerWaalsContact CD2-CB 3.45Å; L1032-D1036 WeakPolarHBondContact CD2-OD2 3.19Å; A1033-D1036 PolarHBondContact N-OD2 3.36Å; A1033-D1036 WeakPolarHBondContact O-CB 3.34Å; A1033-D1036 PolarHBondContact O-N 2.64Å; D1036-F1092 HydrophobicContact CB-CD2 4.45Å
1037	E	94.1	Very high	93.7	Very high	11 Å²	11	22.7 Å²	22.7	5%	0.051	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-44.7	-163.5	-52.3	-164.1	-111.3	0	0	112.5	C965 N967 G968 R1060 F1092 K1096	C965-E1037 PolarHBondContact O-N 3.08Å; N967-E1037 VanDerWaalsContact CA-OE1 3.24Å; N967-E1037 WeakPolarHBondContact CA-OE1 3.36Å; N967-E1037 PolarHBondContact N-OE1 2.96Å; G968-E1037 PolarHBondContact N-OE1 3.28Å; E1037-R1060 IonicContact OE1-CZ 2.72Å; E1037-R1060 IonicContact OE1-NH1 3.98Å; E1037-R1060 PolarHBondContact OE1-NH1 2.88Å; E1037-R1060 IonicContact OE1-NH2 3.64Å; E1037-R1060 IonicContact OE2-NH1 2.87Å; E1037-R1060 IonicContact OE2-NH2 3.37Å; E1037-F1092 PolarHBondContact O-N 2.8Å; E1037-K1096 IonicContact OE2-NZ 3.77Å; E1037-K1096 PolarHBondContact OE2-NZ 2.99Å
1038	F	95.4	Very high	93.5	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	163.8	175.1	53.2	-95.5	0	0	0	112	L964 C965 V1040 V1056 V1059 R1060 I1090 R1091	L964-F1038 WeakPolarHBondContact CD1-O 3.15Å; C965-F1038 HydrophobicContact CB-CD1 3.97Å; C965-F1038 HydrophobicContact CB-CD2 3.65Å; C965-F1038 HydrophobicContact CB-CE1 3.71Å; C965-F1038 HydrophobicContact CB-CE2 3.37Å; C965-F1038 HydrophobicContact CB-CG 3.94Å; C965-F1038 HydrophobicContact CB-CZ 3.4Å; C965-F1038 PolarHBondContact N-O 3.2Å; C965-F1038 VanDerWaalsContact SG-CE1 3.57Å; C965-F1038 VanDerWaalsContact SG-CZ 3.57Å; F1038-V1040 HydrophobicContact CD2-CG2 4.01Å; F1038-V1040 HydrophobicContact CE2-CG2 4.19Å; F1038-V1056 HydrophobicContact CE2-CG1 4.47Å; F1038-V1056 HydrophobicContact CE2-CG2 4.2Å; F1038-V1056 HydrophobicContact CZ-CB 4.43Å; F1038-V1056 HydrophobicContact CZ-CG1 4Å; F1038-V1056 WeakPolarHBondContact CZ-O 3.49Å; F1038-V1059 HydrophobicContact CD1-CG1 4.08Å; F1038-V1059 HydrophobicContact CD2-CB 4.11Å; F1038-V1059 HydrophobicContact CD2-CG1 3.46Å; F1038-V1059 VanDerWaalsContact CD2-CG1 3.46Å; F1038-V1059 HydrophobicContact CE1-CB 4.43Å; F1038-V1059 HydrophobicContact CE1-CG1 4.07Å; F1038-V1059 HydrophobicContact CE2-CB 3.56Å; F1038-V1059 HydrophobicContact CE2-CG1 3.44Å; F1038-V1059 VanDerWaalsContact CE2-CG1 3.44Å; F1038-V1059 HydrophobicContact CG-CG1 3.79Å; F1038-V1059 HydrophobicContact CZ-CB 3.74Å; F1038-V1059 HydrophobicContact CZ-CG1 3.75Å; F1038-R1060 HydrophobicContact CE1-CB 4.09Å; F1038-R1060 HydrophobicContact CZ-CB 4.28Å; F1038-I1090 CarbonylContact C-O 3.46Å; F1038-I1090 WeakPolarHBondContact CA-O 3.39Å; F1038-I1090 WeakPolarHBondContact CB-O 3.47Å; F1038-R1091 HydrophobicContact CB-CB 4.28Å; F1038-R1091 HydrophobicContact CB-CG 4.49Å
1039	L	96.4	Very high	93.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.4	173.1	-166.3	73.8	0	0	0	109.1	C936 I952 V962 V963 L964 L973 L1041 V1089 I1090 F1092	C936-L1039 WeakPolarHBondContact SG-CD2 3.47Å; I952-L1039 HydrophobicContact CD1-CD1 4.05Å; I952-L1039 HydrophobicContact CD1-CD2 4.07Å; V962-L1039 HydrophobicContact CG1-CD1 3.7Å; V962-L1039 HydrophobicContact CG1-CD2 3.88Å; V962-L1039 HydrophobicContact CG1-CG 3.8Å; V963-L1039 CarbonylContact O-C 3.38Å; L964-L1039 HydrophobicContact CB-CD1 3.8Å; L964-L1039 HydrophobicContact CD1-CB 4.48Å; L964-L1039 HydrophobicContact CD1-CD1 3.81Å; L964-L1039 HydrophobicContact CG-CD1 4.44Å; L973-L1039 HydrophobicContact CD1-CD1 3.71Å; L1039-L1041 HydrophobicContact CD2-CD1 3.86Å; L1039-L1041 HydrophobicContact CG-CD1 4.22Å; L1039-V1089 CarbonylContact O-C 3.58Å; L1039-V1089 WeakPolarHBondContact O-CA 3.39Å; L1039-I1090 HydrophobicContact CB-CB 4.2Å; L1039-I1090 HydrophobicContact CB-CD1 4.34Å; L1039-I1090 HydrophobicContact CB-CG1 4.46Å; L1039-I1090 HydrophobicContact CD2-CD1 3.86Å; L1039-I1090 PolarHBondContact N-O 2.75Å; L1039-I1090 PolarHBondContact O-N 3.41Å; L1039-F1092 HydrophobicContact CB-CE2 4.3Å; L1039-F1092 HydrophobicContact CB-CZ 4.09Å
1040	V	98	Very high	93.2	Very high	2 Å²	2	22 Å²	22	1%	0.012	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.7	171.8	-173.2	0	0	0	0	108.8	V962 V963 F1038 W1047 V1055 V1059 I1087 M1088 V1089	V962-V1040 CarbonylContact C-O 3.52Å; V962-V1040 WeakPolarHBondContact CA-O 3.49Å; V963-V1040 PolarHBondContact N-O 2.98Å; V963-V1040 PolarHBondContact O-N 3.26Å; F1038-V1040 HydrophobicContact CD2-CG2 4.01Å; F1038-V1040 HydrophobicContact CE2-CG2 4.19Å; V1040-W1047 HydrophobicContact CB-CH2 4.16Å; V1040-W1047 HydrophobicContact CB-CZ2 4.47Å; V1040-W1047 HydrophobicContact CG1-CH2 3.88Å; V1040-W1047 HydrophobicContact CG1-CZ2 4.06Å; V1040-V1055 HydrophobicContact CG1-CG1 4.17Å; V1040-V1055 HydrophobicContact CG2-CG1 4.25Å; V1040-V1059 HydrophobicContact CG2-CG2 4.11Å; V1040-I1087 HydrophobicContact CG1-CG2 4.38Å; V1040-M1088 CarbonylContact C-O 3.12Å; V1040-M1088 WeakPolarHBondContact CA-O 3.44Å; V1040-V1089 HydrophobicContact CG2-CG2 4.43Å
1041	L	98	Very high	93.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	132.9	164.3	-64.2	76.4	0	0	0	107.3	I876 C936 V962 L1039 I1087 M1088 I1090	I876-L1041 HydrophobicContact CD1-CB 3.91Å; C936-L1041 HydrophobicContact CB-CD1 4.48Å; C936-L1041 HydrophobicContact CB-CD2 3.92Å; V962-L1041 HydrophobicContact CB-CG 4.45Å; V962-L1041 HydrophobicContact CG1-CD1 4.23Å; V962-L1041 HydrophobicContact CG1-CG 4.02Å; V962-L1041 HydrophobicContact CG2-CD2 4.23Å; V962-L1041 HydrophobicContact CG2-CG 3.86Å; L1039-L1041 HydrophobicContact CD2-CD1 3.86Å; L1039-L1041 HydrophobicContact CG-CD1 4.22Å; L1041-I1087 WeakPolarHBondContact O-CA 3.43Å; L1041-M1088 HydrophobicContact CB-CB 4.19Å; L1041-M1088 HydrophobicContact CD1-CB 4.37Å; L1041-M1088 HydrophobicContact CD2-SD 4.36Å; L1041-M1088 PolarHBondContact N-O 2.85Å; L1041-M1088 PolarHBondContact O-N 3.39Å; L1041-I1090 HydrophobicContact CD1-CD1 4.37Å
1042	A	98	Very high	93.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	161.9	169.3	0	0	0	0	0	112.1	V960 E961 V1046 W1047 S1086 I1087	V960-A1042 WeakPolarHBondContact CG1-O 3.42Å; E961-A1042 PolarHBondContact N-O 2.92Å; E961-A1042 VanDerWaalsContact N-O 3.1Å; E961-A1042 PolarHBondContact O-N 2.83Å; E961-A1042 VanDerWaalsContact O-N 3.16Å; A1042-V1046 HydrophobicContact CB-CB 3.76Å; A1042-V1046 HydrophobicContact CB-CG1 3.87Å; A1042-V1046 HydrophobicContact CB-CG2 3.98Å; A1042-W1047 HydrophobicContact CB-CZ2 3.89Å; A1042-W1047 PolarHBondContact O-NE1 2.81Å; A1042-S1086 VanDerWaalsContact CA-O 3.29Å; A1042-S1086 WeakPolarHBondContact CA-O 3.48Å; A1042-I1087 HydrophobicContact CB-CG1 4.15Å
1043	N	96.1	Very high	93.5	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	14%	0.141	C	C	.	.			trans	-81.5	172.1	178.9	79	-72.5	0	0	0	112.8	V857 I876 E878 V960 A1045 V1046 D1084 I1085 S1086	V857-N1043 HydrophobicContact CG1-CB 3.89Å; I876-N1043 HydrophobicContact CG2-CB 4Å; E878-N1043 VanDerWaalsContact OE1-CB 3.27Å; E878-N1043 WeakPolarHBondContact OE1-CB 3.34Å; E878-N1043 PolarHBondContact OE1-ND2 3.05Å; V960-N1043 HydrophobicContact CG2-CB 4.4Å; N1043-A1045 WeakPolarHBondContact ND2-CB 3.46Å; N1043-A1045 PolarHBondContact ND2-N 2.8Å; N1043-A1045 PolarHBondContact O-N 3.36Å; N1043-A1045 VanDerWaalsContact O-N 3.12Å; N1043-V1046 PolarHBondContact O-N 2.87Å; N1043-V1046 VanDerWaalsContact O-N 3.15Å; N1043-D1084 PolarHBondContact ND2-O 3.28Å; N1043-I1085 WeakPolarHBondContact OD1-CA 3.21Å; N1043-S1086 PolarHBondContact N-O 3.17Å; N1043-S1086 PolarHBondContact OD1-N 3.33Å; N1043-S1086 PolarHBondContact OD1-O 3.2Å
1044	G	92.1	Very high	93.8	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.01	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-28.5	-171.6	0	0	0	0	0	114.4	E878 D959 V1046 Q1048	E878-G1044 PolarHBondContact OE1-N 3.05Å; E878-G1044 PolarHBondContact OE2-N 2.87Å; D959-G1044 WeakPolarHBondContact O-CA 3.44Å; G1044-V1046 PolarHBondContact O-N 2.88Å; G1044-Q1048 WeakPolarHBondContact O-CB 3.41Å; G1044-Q1048 VanDerWaalsContact O-CG 3.25Å; G1044-Q1048 WeakPolarHBondContact O-CG 3.3Å; G1044-Q1048 PolarHBondContact O-N 2.89Å; G1044-Q1048 VanDerWaalsContact O-N 3.12Å; G1044-Q1048 PolarHBondContact O-NE2 3.42Å
1045	A	91.8	Very high	94.4	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.008	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-42.4	177.4	0	0	0	0	0	113.1	N1043 Q1048 T1049 E1083	N1043-A1045 WeakPolarHBondContact ND2-CB 3.46Å; N1043-A1045 PolarHBondContact ND2-N 2.8Å; N1043-A1045 PolarHBondContact O-N 3.36Å; N1043-A1045 VanDerWaalsContact O-N 3.12Å; A1045-Q1048 PolarHBondContact O-N 2.9Å; A1045-T1049 WeakPolarHBondContact O-CB 3.07Å; A1045-T1049 PolarHBondContact O-N 3.37Å; A1045-T1049 PolarHBondContact O-OG1 3.01Å; A1045-E1083 HydrophobicContact CB-CB 3.74Å
1046	V	96.3	Very high	94.8	Very high	1 Å²	1	20 Å²	20	1%	0.006	10%	0.099	C	C	.	.	H	α-helix	trans	-68.4	-48	-178.7	176.4	0	0	0	0	110.3	A1042 N1043 G1044 Q1048 T1049 M1050 V1076 I1085 I1087	A1042-V1046 HydrophobicContact CB-CB 3.76Å; A1042-V1046 HydrophobicContact CB-CG1 3.87Å; A1042-V1046 HydrophobicContact CB-CG2 3.98Å; N1043-V1046 PolarHBondContact O-N 2.87Å; N1043-V1046 VanDerWaalsContact O-N 3.15Å; G1044-V1046 PolarHBondContact O-N 2.88Å; V1046-Q1048 PolarHBondContact O-N 3.5Å; V1046-T1049 PolarHBondContact O-N 2.81Å; V1046-M1050 PolarHBondContact O-N 3.47Å; V1046-V1076 HydrophobicContact CB-CG2 4.43Å; V1046-V1076 HydrophobicContact CG1-CG2 4.04Å; V1046-V1076 HydrophobicContact CG2-CG1 4.43Å; V1046-V1076 HydrophobicContact CG2-CG2 4.27Å; V1046-I1085 HydrophobicContact CG2-CG2 3.87Å; V1046-I1087 HydrophobicContact CG1-CD1 4.4Å; V1046-I1087 HydrophobicContact CG2-CD1 3.98Å; V1046-I1087 HydrophobicContact CG2-CG1 3.96Å
1047	W	93.6	Very high	94.9	Very high	12 Å²	12	22.6 Å²	22.6	5%	0.045	12%	0.121	C	C	.	.	H	α-helix	trans	-80.6	10.8	179.5	-45.7	117	0	0	0	114.5	E961 V963 R976 V1040 A1042 Y1052 V1055	E961-W1047 HydrophobicContact CB-CG 4.33Å; E961-W1047 PolarHBondContact O-NE1 2.91Å; V963-W1047 HydrophobicContact CB-CH2 3.94Å; V963-W1047 HydrophobicContact CB-CZ2 4.43Å; V963-W1047 HydrophobicContact CG2-CH2 3.58Å; V963-W1047 HydrophobicContact CG2-CZ2 3.9Å; V963-W1047 HydrophobicContact CG2-CZ3 4Å; R976-W1047 VanDerWaalsContact NH2-CB 3.32Å; R976-W1047 PolarHBondContact NH2-O 2.79Å; V1040-W1047 HydrophobicContact CB-CH2 4.16Å; V1040-W1047 HydrophobicContact CB-CZ2 4.47Å; V1040-W1047 HydrophobicContact CG1-CH2 3.88Å; V1040-W1047 HydrophobicContact CG1-CZ2 4.06Å; A1042-W1047 HydrophobicContact CB-CZ2 3.89Å; A1042-W1047 PolarHBondContact O-NE1 2.81Å; W1047-Y1052 HydrophobicContact CB-CE1 4.47Å; W1047-Y1052 HydrophobicContact CD2-CD1 4.33Å; W1047-Y1052 HydrophobicContact CD2-CE1 4.1Å; W1047-Y1052 AromaticContact CE3-CD1 3.55Å; W1047-Y1052 HydrophobicContact CE3-CD1 3.55Å; W1047-Y1052 AromaticContact CE3-CE1 3.76Å; W1047-Y1052 HydrophobicContact CE3-CE1 3.76Å; W1047-Y1052 HydrophobicContact CG-CE1 4.47Å; W1047-Y1052 AromaticContact CZ3-CD1 3.69Å; W1047-Y1052 HydrophobicContact CZ3-CD1 3.69Å; W1047-Y1052 HydrophobicContact CZ3-CE1 4.28Å; W1047-V1055 HydrophobicContact CE3-CG2 4.41Å; W1047-V1055 HydrophobicContact CH2-CG1 3.94Å; W1047-V1055 HydrophobicContact CZ3-CB 3.96Å; W1047-V1055 HydrophobicContact CZ3-CG1 3.85Å; W1047-V1055 HydrophobicContact CZ3-CG2 3.84Å
1048	Q	89.3	Confident	94.9	Very high	109 Å²	109	23.9 Å²	23.9	51%	0.509	13%	0.127	S	C	.	.	H	α-helix	trans	-104.9	-16	161.1	-76.3	174	101.8	0	0	112.1	G1044 A1045 V1046	G1044-Q1048 WeakPolarHBondContact O-CB 3.41Å; G1044-Q1048 VanDerWaalsContact O-CG 3.25Å; G1044-Q1048 WeakPolarHBondContact O-CG 3.3Å; G1044-Q1048 PolarHBondContact O-N 2.89Å; G1044-Q1048 VanDerWaalsContact O-N 3.12Å; G1044-Q1048 PolarHBondContact O-NE2 3.42Å; A1045-Q1048 PolarHBondContact O-N 2.9Å; V1046-Q1048 PolarHBondContact O-N 3.5Å
1049	T	91.9	Very high	95	Very high	25 Å²	25	23.9 Å²	23.9	15%	0.153	13%	0.127	C	C	.	.	H	α-helix	trans	-107.2	-30.9	-173.2	-53.7	0	0	0	0	113.2	A1045 V1046 V1076 Y1079 C1081	A1045-T1049 WeakPolarHBondContact O-CB 3.07Å; A1045-T1049 PolarHBondContact O-N 3.37Å; A1045-T1049 PolarHBondContact O-OG1 3.01Å; V1046-T1049 PolarHBondContact O-N 2.81Å; T1049-V1076 HydrophobicContact CG2-CB 4.35Å; T1049-V1076 HydrophobicContact CG2-CG1 4.04Å; T1049-V1076 HydrophobicContact CG2-CG2 4.44Å; T1049-Y1079 HydrophobicContact CG2-CD2 4.03Å; T1049-Y1079 HydrophobicContact CG2-CG 4.36Å; T1049-C1081 HydrophobicContact CG2-CB 4.33Å
1050	M	93.3	Very high	94.9	Very high	9 Å²	9	26.4 Å²	26.4	4%	0.044	14%	0.137	C	C	.	.	S	Bend	trans	-129.2	150.1	178.9	-64.4	-179.6	76.7	0	0	111.6	V1046 E1054 V1055 L1072 I1075 V1076 Y1079	V1046-M1050 PolarHBondContact O-N 3.47Å; M1050-E1054 HydrophobicContact CE-CB 4.44Å; M1050-E1054 VanDerWaalsContact CE-CD 3.45Å; M1050-E1054 HydrophobicContact CE-CG 3.58Å; M1050-V1055 HydrophobicContact CB-CG2 3.74Å; M1050-V1055 HydrophobicContact CE-CG2 4.27Å; M1050-V1055 HydrophobicContact SD-CG2 4.24Å; M1050-L1072 HydrophobicContact CE-CD2 3.93Å; M1050-L1072 HydrophobicContact SD-CD2 4.09Å; M1050-I1075 HydrophobicContact CE-CG2 4.04Å; M1050-I1075 HydrophobicContact SD-CB 4.47Å; M1050-I1075 HydrophobicContact SD-CG2 4.15Å; M1050-V1076 HydrophobicContact CG-CG2 3.95Å; M1050-V1076 HydrophobicContact SD-CG2 3.6Å; M1050-Y1079 HydrophobicContact CG-CD2 4.15Å; M1050-Y1079 HydrophobicContact CG-CE2 4Å
1051	S	92.8	Very high	94.7	Very high	54 Å²	54	30 Å²	30	38%	0.378	16%	0.161	S	C	.	.			trans	-78.7	154.6	174.5	70	0	0	0	0	112.4	Q1053 E1054 V1055	S1051-Q1053 PolarHBondContact O-N 2.79Å; S1051-E1054 PolarHBondContact O-N 2.92Å; S1051-E1054 WeakPolarHBondContact OG-CB 3.19Å; S1051-E1054 PolarHBondContact OG-N 3.15Å; S1051-E1054 VanDerWaalsContact OG-N 3.12Å; S1051-V1055 WeakPolarHBondContact O-CG2 3.23Å; S1051-V1055 PolarHBondContact O-N 3.48Å
1052	Y	96.1	Very high	94.4	Very high	62 Å²	62	31.5 Å²	31.5	24%	0.243	17%	0.169	C	C	.	.	H	α-helix	trans	-58.9	-38	176.5	-51.2	-50.3	0	0	0	112.2	E961 V963 L972 R976 W1047 V1056	E961-Y1052 PolarHBondContact OE1-OH 2.81Å; E961-Y1052 PolarHBondContact OE2-OH 2.96Å; V963-Y1052 HydrophobicContact CG2-CD1 3.7Å; V963-Y1052 HydrophobicContact CG2-CE1 4.09Å; V963-Y1052 HydrophobicContact CG2-CG 4.37Å; L972-Y1052 HydrophobicContact CD1-CE1 4.19Å; R976-Y1052 PolarHBondContact NH2-OH 3.08Å; W1047-Y1052 HydrophobicContact CB-CE1 4.47Å; W1047-Y1052 HydrophobicContact CD2-CD1 4.33Å; W1047-Y1052 HydrophobicContact CD2-CE1 4.1Å; W1047-Y1052 AromaticContact CE3-CD1 3.55Å; W1047-Y1052 HydrophobicContact CE3-CD1 3.55Å; W1047-Y1052 AromaticContact CE3-CE1 3.76Å; W1047-Y1052 HydrophobicContact CE3-CE1 3.76Å; W1047-Y1052 HydrophobicContact CG-CE1 4.47Å; W1047-Y1052 AromaticContact CZ3-CD1 3.69Å; W1047-Y1052 HydrophobicContact CZ3-CD1 3.69Å; W1047-Y1052 HydrophobicContact CZ3-CE1 4.28Å; Y1052-V1056 WeakPolarHBondContact O-CB 3.42Å; Y1052-V1056 WeakPolarHBondContact O-CG2 3.26Å; Y1052-V1056 PolarHBondContact O-N 3.38Å
1053	Q	95.5	Very high	93.9	Very high	113 Å²	113	35.1 Å²	35.1	53%	0.528	19%	0.193	S	C	.	.	H	α-helix	trans	-64.7	-45.2	177.3	-72.3	74.8	6.6	0	0	111.5	P970 S1051 V1056 A1057	P970-Q1053 HydrophobicContact CG-CG 4.02Å; S1051-Q1053 PolarHBondContact O-N 2.79Å; Q1053-V1056 PolarHBondContact O-N 2.98Å; Q1053-A1057 WeakPolarHBondContact O-CB 3.41Å; Q1053-A1057 PolarHBondContact O-N 3.23Å
1054	E	94.1	Very high	93.5	Very high	14 Å²	14	38.8 Å²	38.8	7%	0.065	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-48.5	176.3	-174.5	-176.1	-170.7	0	0	111.1	H614 H636 M1050 S1051 V1056 A1057 Q1058 Y1079	H614-E1054 IonicContact CE1-OE2 3.24Å; H636-E1054 VanDerWaalsContact CE1-CD 3.44Å; H636-E1054 IonicContact CE1-OE1 2.81Å; H636-E1054 PolarHBondContact CE1-OE1 2.89Å; H636-E1054 IonicContact CE1-OE2 2.63Å; H636-E1054 IonicContact ND1-OE1 2.73Å; H636-E1054 PolarHBondContact ND1-OE1 2.74Å; H636-E1054 IonicContact ND1-OE2 3.88Å; M1050-E1054 HydrophobicContact CE-CB 4.44Å; M1050-E1054 VanDerWaalsContact CE-CD 3.45Å; M1050-E1054 HydrophobicContact CE-CG 3.58Å; S1051-E1054 PolarHBondContact O-N 2.92Å; S1051-E1054 WeakPolarHBondContact OG-CB 3.19Å; S1051-E1054 PolarHBondContact OG-N 3.15Å; S1051-E1054 VanDerWaalsContact OG-N 3.12Å; E1054-V1056 VanDerWaalsContact C-N 3.33Å; E1054-V1056 PolarHBondContact O-N 3.32Å; E1054-A1057 PolarHBondContact O-N 3.29Å; E1054-A1057 VanDerWaalsContact O-N 3.16Å; E1054-Q1058 WeakPolarHBondContact O-CG 3.44Å; E1054-Q1058 PolarHBondContact O-N 3.3Å; E1054-Y1079 WeakPolarHBondContact OE1-CE2 3.44Å; E1054-Y1079 PolarHBondContact OE1-OH 3.28Å
1055	V	97.1	Very high	93.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.7	-45.1	177	171.1	0	0	0	0	111.1	V1040 W1047 M1050 S1051 Q1058 V1059 L1072	V1040-V1055 HydrophobicContact CG1-CG1 4.17Å; V1040-V1055 HydrophobicContact CG2-CG1 4.25Å; W1047-V1055 HydrophobicContact CE3-CG2 4.41Å; W1047-V1055 HydrophobicContact CH2-CG1 3.94Å; W1047-V1055 HydrophobicContact CZ3-CB 3.96Å; W1047-V1055 HydrophobicContact CZ3-CG1 3.85Å; W1047-V1055 HydrophobicContact CZ3-CG2 3.84Å; M1050-V1055 HydrophobicContact CB-CG2 3.74Å; M1050-V1055 HydrophobicContact CE-CG2 4.27Å; M1050-V1055 HydrophobicContact SD-CG2 4.24Å; S1051-V1055 WeakPolarHBondContact O-CG2 3.23Å; S1051-V1055 PolarHBondContact O-N 3.48Å; V1055-Q1058 PolarHBondContact O-N 2.86Å; V1055-V1059 HydrophobicContact CG1-CG2 4.46Å; V1055-V1059 WeakPolarHBondContact O-CG2 3.43Å; V1055-V1059 PolarHBondContact O-N 3.18Å; V1055-L1072 HydrophobicContact CB-CD2 4.43Å; V1055-L1072 HydrophobicContact CG1-CD1 3.89Å; V1055-L1072 HydrophobicContact CG1-CD2 4.23Å; V1055-L1072 HydrophobicContact CG2-CD2 4.22Å
1056	V	97.5	Very high	93.2	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-65.1	-41.1	176.2	166.4	0	0	0	0	112	V963 C965 G968 P970 F1038 Y1052 Q1053 E1054 Q1058 R1060	V963-V1056 HydrophobicContact CG1-CG2 4.27Å; C965-V1056 HydrophobicContact CB-CG1 4.04Å; C965-V1056 HydrophobicContact CB-CG2 4.24Å; G968-V1056 WeakPolarHBondContact O-CG1 3.14Å; P970-V1056 HydrophobicContact CB-CG2 3.88Å; F1038-V1056 HydrophobicContact CE2-CG1 4.47Å; F1038-V1056 HydrophobicContact CE2-CG2 4.2Å; F1038-V1056 HydrophobicContact CZ-CB 4.43Å; F1038-V1056 HydrophobicContact CZ-CG1 4Å; F1038-V1056 WeakPolarHBondContact CZ-O 3.49Å; Y1052-V1056 WeakPolarHBondContact O-CB 3.42Å; Y1052-V1056 WeakPolarHBondContact O-CG2 3.26Å; Y1052-V1056 PolarHBondContact O-N 3.38Å; Q1053-V1056 PolarHBondContact O-N 2.98Å; E1054-V1056 VanDerWaalsContact C-N 3.33Å; E1054-V1056 PolarHBondContact O-N 3.32Å; V1056-Q1058 PolarHBondContact O-N 2.92Å; V1056-R1060 VanDerWaalsContact O-CB 3.24Å; V1056-R1060 WeakPolarHBondContact O-CB 3.23Å; V1056-R1060 PolarHBondContact O-N 3.08Å
1057	A	95.4	Very high	93	Very high	56 Å²	56	42 Å²	42	46%	0.463	23%	0.228	S	C	.	.	H	α-helix	trans	-61	-43.7	176.6	0	0	0	0	0	112.3	Q1053 E1054 R1060 S1061	Q1053-A1057 WeakPolarHBondContact O-CB 3.41Å; Q1053-A1057 PolarHBondContact O-N 3.23Å; E1054-A1057 PolarHBondContact O-N 3.29Å; E1054-A1057 VanDerWaalsContact O-N 3.16Å; A1057-R1060 PolarHBondContact O-N 3.42Å; A1057-S1061 PolarHBondContact O-N 3.07Å
1058	Q	94.6	Very high	93	Very high	38 Å²	38	41.5 Å²	41.5	18%	0.178	23%	0.226	C	C	.	.	H	α-helix	trans	-74.7	-37.7	-178.9	-58.6	-61	2.8	0	0	113.2	H660 E1054 V1055 V1056 R1060 S1061 I1062 Y1071 L1072	H660-Q1058 PolarHBondContact NE2-NE2 3.29Å; E1054-Q1058 WeakPolarHBondContact O-CG 3.44Å; E1054-Q1058 PolarHBondContact O-N 3.3Å; V1055-Q1058 PolarHBondContact O-N 2.86Å; V1056-Q1058 PolarHBondContact O-N 2.92Å; Q1058-R1060 VanDerWaalsContact C-N 3.29Å; Q1058-R1060 PolarHBondContact O-N 3.47Å; Q1058-S1061 PolarHBondContact O-N 3.05Å; Q1058-S1061 PolarHBondContact O-OG 2.96Å; Q1058-I1062 PolarHBondContact O-N 3.4Å; Q1058-Y1071 HydrophobicContact CB-CD1 4.11Å; Q1058-Y1071 HydrophobicContact CB-CE1 3.72Å; Q1058-Y1071 HydrophobicContact CG-CE1 3.78Å; Q1058-L1072 HydrophobicContact CB-CD2 4.2Å
1059	V	96.5	Very high	93.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68.8	-30.7	172.7	177.6	0	0	0	0	111.3	F1038 V1040 V1055 I1062 A1068 L1072 V1089 R1091	F1038-V1059 HydrophobicContact CD1-CG1 4.08Å; F1038-V1059 HydrophobicContact CD2-CB 4.11Å; F1038-V1059 HydrophobicContact CD2-CG1 3.46Å; F1038-V1059 VanDerWaalsContact CD2-CG1 3.46Å; F1038-V1059 HydrophobicContact CE1-CB 4.43Å; F1038-V1059 HydrophobicContact CE1-CG1 4.07Å; F1038-V1059 HydrophobicContact CE2-CB 3.56Å; F1038-V1059 HydrophobicContact CE2-CG1 3.44Å; F1038-V1059 VanDerWaalsContact CE2-CG1 3.44Å; F1038-V1059 HydrophobicContact CG-CG1 3.79Å; F1038-V1059 HydrophobicContact CZ-CB 3.74Å; F1038-V1059 HydrophobicContact CZ-CG1 3.75Å; V1040-V1059 HydrophobicContact CG2-CG2 4.11Å; V1055-V1059 HydrophobicContact CG1-CG2 4.46Å; V1055-V1059 WeakPolarHBondContact O-CG2 3.43Å; V1055-V1059 PolarHBondContact O-N 3.18Å; V1059-I1062 VanDerWaalsContact O-O 3.12Å; V1059-A1068 HydrophobicContact CG1-CB 4.2Å; V1059-A1068 HydrophobicContact CG2-CB 4.28Å; V1059-L1072 HydrophobicContact CG2-CD1 3.6Å; V1059-L1072 HydrophobicContact CG2-CG 4.22Å; V1059-V1089 HydrophobicContact CG1-CG1 3.59Å; V1059-V1089 HydrophobicContact CG2-CG2 4.27Å; V1059-R1091 PolarHBondContact O-NH1 3.06Å; V1059-R1091 PolarHBondContact O-NH2 3.2Å
1060	R	95.3	Very high	93.4	Very high	54 Å²	54	35.3 Å²	35.3	20%	0.204	20%	0.195	C	C	.	.	H	α-helix	trans	-63.6	-41.9	174.8	-170.2	-171.6	-171.4	85.5	-0.3	112	G968 E1037 F1038 V1056 A1057 Q1058 R1091	G968-R1060 VanDerWaalsContact CA-NH1 3.27Å; E1037-R1060 IonicContact OE1-CZ 2.72Å; E1037-R1060 IonicContact OE1-NH1 3.98Å; E1037-R1060 PolarHBondContact OE1-NH1 2.88Å; E1037-R1060 IonicContact OE1-NH2 3.64Å; E1037-R1060 IonicContact OE2-NH1 2.87Å; E1037-R1060 IonicContact OE2-NH2 3.37Å; F1038-R1060 HydrophobicContact CE1-CB 4.09Å; F1038-R1060 HydrophobicContact CZ-CB 4.28Å; V1056-R1060 VanDerWaalsContact O-CB 3.24Å; V1056-R1060 WeakPolarHBondContact O-CB 3.23Å; V1056-R1060 PolarHBondContact O-N 3.08Å; A1057-R1060 PolarHBondContact O-N 3.42Å; Q1058-R1060 VanDerWaalsContact C-N 3.29Å; Q1058-R1060 PolarHBondContact O-N 3.47Å; R1060-R1091 PolarHBondContact O-NH2 3.15Å
1061	S	93.7	Very high	93.5	Very high	76 Å²	76	35.7 Å²	35.7	53%	0.531	20%	0.196	S	C	.	.	H	α-helix	trans	-73.4	-25	-175.7	64.9	0	0	0	0	114.2	A1057 Q1058 P1063	A1057-S1061 PolarHBondContact O-N 3.07Å; Q1058-S1061 PolarHBondContact O-N 3.05Å; Q1058-S1061 PolarHBondContact O-OG 2.96Å; S1061-P1063 WeakPolarHBondContact O-CD 3.5Å
1062	I	92.2	Very high	93.7	Very high	32 Å²	32	33.2 Å²	33.2	16%	0.164	18%	0.179	C	C	.	.			trans	-103.3	109.9	-178.9	-58.5	172.1	0	0	0	110.2	Q1058 V1059 L1067 A1068 Y1071 R1091	Q1058-I1062 PolarHBondContact O-N 3.4Å; V1059-I1062 VanDerWaalsContact O-O 3.12Å; I1062-L1067 HydrophobicContact CG2-CB 3.72Å; I1062-A1068 HydrophobicContact CB-CB 4.07Å; I1062-A1068 HydrophobicContact CG2-CB 4.04Å; I1062-Y1071 VanDerWaalsContact CD1-CB 3.49Å; I1062-Y1071 HydrophobicContact CD1-CD1 3.74Å; I1062-Y1071 HydrophobicContact CD1-CD2 3.75Å; I1062-Y1071 HydrophobicContact CD1-CE1 4.43Å; I1062-Y1071 HydrophobicContact CD1-CE2 4.44Å; I1062-Y1071 HydrophobicContact CD1-CG 3.36Å; I1062-R1091 PolarHBondContact O-NH1 2.93Å
1063	P	87	Confident	93.7	Very high	76 Å²	76	30.2 Å²	30.2	49%	0.494	17%	0.167	S	C	.	.	S	Bend	trans	-67.3	-39.8	-171.8	-25.5	36.4	0	0	0	115.6	S1061 R1091	S1061-P1063 WeakPolarHBondContact O-CD 3.5Å; P1063-R1091 VanDerWaalsContact C-NH1 3.33Å; P1063-R1091 VanDerWaalsContact O-CD 3.28Å; P1063-R1091 WeakPolarHBondContact O-CD 3.38Å; P1063-R1091 PolarHBondContact O-NH1 3.17Å
1064	E	87.9	Confident	93.7	Very high	79 Å²	79	24.9 Å²	24.9	37%	0.369	14%	0.142	S	C	.	.	S	Bend	trans	-84.9	125.8	-179.2	-72.3	-57.4	130.1	0	0	111.6	K841 S1066 L1067 A1068	K841-E1064 WeakPolarHBondContact CD-OE2 3.4Å; K841-E1064 IonicContact NZ-OE1 3.19Å; K841-E1064 PolarHBondContact NZ-OE1 3.45Å; K841-E1064 IonicContact NZ-OE2 2.75Å; K841-E1064 PolarHBondContact NZ-OE2 3.31Å; E1064-S1066 VanDerWaalsContact C-N 3.32Å; E1064-S1066 PolarHBondContact O-N 3.47Å; E1064-L1067 HydrophobicContact CB-CB 4.45Å; E1064-L1067 HydrophobicContact CB-CD1 4.07Å; E1064-L1067 HydrophobicContact CB-CG 3.99Å; E1064-L1067 PolarHBondContact O-N 2.93Å; E1064-A1068 PolarHBondContact O-N 3.21Å
1065	P	90.9	Very high	93.7	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-67.6	-29.3	-170.2	27.5	-35.5	0	0	0	113.3	K841 L1067 A1068 A1069 V1089	K841-P1065 HydrophobicContact CB-CG 3.74Å; P1065-L1067 VanDerWaalsContact C-N 3.35Å; P1065-A1068 PolarHBondContact O-N 3.07Å; P1065-A1069 WeakPolarHBondContact O-CB 3.48Å; P1065-A1069 PolarHBondContact O-N 3.29Å; P1065-V1089 HydrophobicContact CB-CB 3.89Å; P1065-V1089 HydrophobicContact CB-CG1 3.72Å; P1065-V1089 WeakPolarHBondContact CB-O 3.09Å
1066	S	87.2	Confident	93.7	Very high	12 Å²	12	24.2 Å²	24.2	8%	0.084	14%	0.139	C	C	.	.	H	α-helix	trans	-68	-37.3	176.7	-53.8	0	0	0	0	111.6	G843 E1064 K1070	G843-S1066 VanDerWaalsContact CA-OG 3.29Å; G843-S1066 WeakPolarHBondContact CA-OG 3.27Å; E1064-S1066 VanDerWaalsContact C-N 3.32Å; E1064-S1066 PolarHBondContact O-N 3.47Å; S1066-K1070 PolarHBondContact O-N 2.87Å; S1066-K1070 VanDerWaalsContact O-N 3.11Å
1067	L	90.9	Very high	93.5	Very high	58 Å²	58	25.8 Å²	25.8	30%	0.304	14%	0.144	S	C	.	.	H	α-helix	trans	-70	-40.6	174.2	-53.9	-174	0	0	0	110.7	A780 I1062 E1064 P1065 K1070 Y1071	A780-L1067 HydrophobicContact CB-CD2 3.42Å; A780-L1067 VanDerWaalsContact CB-CD2 3.42Å; I1062-L1067 HydrophobicContact CG2-CB 3.72Å; E1064-L1067 HydrophobicContact CB-CB 4.45Å; E1064-L1067 HydrophobicContact CB-CD1 4.07Å; E1064-L1067 HydrophobicContact CB-CG 3.99Å; E1064-L1067 PolarHBondContact O-N 2.93Å; P1065-L1067 VanDerWaalsContact C-N 3.35Å; L1067-K1070 PolarHBondContact O-N 2.88Å; L1067-Y1071 VanDerWaalsContact O-CB 3.29Å; L1067-Y1071 WeakPolarHBondContact O-CB 3.47Å; L1067-Y1071 PolarHBondContact O-N 2.66Å
1068	A	94.7	Very high	93.4	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-63.3	-42.4	176	0	0	0	0	0	112.3	V1059 I1062 E1064 P1065 Y1071 L1072 V1089	V1059-A1068 HydrophobicContact CG1-CB 4.2Å; V1059-A1068 HydrophobicContact CG2-CB 4.28Å; I1062-A1068 HydrophobicContact CB-CB 4.07Å; I1062-A1068 HydrophobicContact CG2-CB 4.04Å; E1064-A1068 PolarHBondContact O-N 3.21Å; P1065-A1068 PolarHBondContact O-N 3.07Å; A1068-Y1071 PolarHBondContact O-N 2.97Å; A1068-L1072 WeakPolarHBondContact O-CG 3.49Å; A1068-L1072 PolarHBondContact O-N 3.19Å; A1068-V1089 HydrophobicContact CB-CG2 4.49Å
1069	A	94.8	Very high	93.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.4	-43	176.7	0	0	0	0	0	112.2	S845 P1065 Q1073 I1087 V1089	S845-A1069 WeakPolarHBondContact CB-O 3.42Å; P1065-A1069 WeakPolarHBondContact O-CB 3.48Å; P1065-A1069 PolarHBondContact O-N 3.29Å; A1069-Q1073 PolarHBondContact O-N 3.25Å; A1069-I1087 HydrophobicContact CB-CB 4.46Å; A1069-I1087 HydrophobicContact CB-CG2 4.05Å; A1069-V1089 HydrophobicContact CB-CG2 4.02Å
1070	K	93.2	Very high	93.1	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.017	13%	0.13	C	C	.	.	H	α-helix	trans	-67.3	-40.3	175.7	-83	179.3	177.3	-81.2	0	112.9	D777 A779 D800 S845 S1066 L1067 Q1073 D1074	D777-K1070 IonicContact OD1-NZ 3.31Å; D777-K1070 PolarHBondContact OD1-NZ 3.2Å; D777-K1070 IonicContact OD2-NZ 3.75Å; D777-K1070 PolarHBondContact OD2-NZ 3.13Å; A779-K1070 HydrophobicContact CB-CD 4.24Å; A779-K1070 VanDerWaalsContact CB-CE 3.46Å; D800-K1070 VanDerWaalsContact OD2-CE 3.29Å; D800-K1070 WeakPolarHBondContact OD2-CE 3.4Å; D800-K1070 IonicContact OD2-NZ 3.86Å; D800-K1070 PolarHBondContact OD2-NZ 3.23Å; S845-K1070 WeakPolarHBondContact OG-CG 3.28Å; S1066-K1070 PolarHBondContact O-N 2.87Å; S1066-K1070 VanDerWaalsContact O-N 3.11Å; L1067-K1070 PolarHBondContact O-N 2.88Å; K1070-Q1073 WeakPolarHBondContact O-CB 3.3Å; K1070-Q1073 PolarHBondContact O-N 2.93Å; K1070-D1074 PolarHBondContact O-N 2.96Å
1071	Y	96.2	Very high	92.7	Very high	17 Å²	17	23.5 Å²	23.5	7%	0.067	12%	0.124	C	C	.	.	H	α-helix	trans	-55.8	-55.8	173	178.8	-93	0	0	0	111	H660 S685 Y709 Q1058 I1062 L1067 A1068 Q1073 D1074 I1075	H660-Y1071 AromaticContact CE1-CE1 3.71Å; H660-Y1071 AromaticContact CE1-CZ 3.18Å; H660-Y1071 PolarHBondContact CE1-OH 2.96Å; H660-Y1071 AromaticContact NE2-CE1 4Å; H660-Y1071 AromaticContact NE2-CZ 3.71Å; H660-Y1071 PolarHBondContact NE2-OH 3.3Å; S685-Y1071 WeakPolarHBondContact OG-CE2 3.23Å; S685-Y1071 PolarHBondContact OG-OH 3.3Å; Y709-Y1071 AromaticContact CD1-CD2 3.59Å; Y709-Y1071 HydrophobicContact CD1-CD2 3.59Å; Y709-Y1071 AromaticContact CD1-CE2 3.86Å; Y709-Y1071 HydrophobicContact CD1-CE2 3.86Å; Y709-Y1071 AromaticContact CD2-CD2 3.87Å; Y709-Y1071 HydrophobicContact CD2-CD2 3.87Å; Y709-Y1071 AromaticContact CD2-CE2 3.9Å; Y709-Y1071 HydrophobicContact CD2-CE2 3.9Å; Y709-Y1071 AromaticContact CE1-CD2 3.54Å; Y709-Y1071 HydrophobicContact CE1-CD2 3.54Å; Y709-Y1071 HydrophobicContact CE1-CE2 4.27Å; Y709-Y1071 AromaticContact CE2-CD2 3.83Å; Y709-Y1071 HydrophobicContact CE2-CD2 3.83Å; Y709-Y1071 HydrophobicContact CE2-CE2 4.32Å; Y709-Y1071 AromaticContact CG-CD2 3.77Å; Y709-Y1071 HydrophobicContact CG-CD2 3.77Å; Y709-Y1071 AromaticContact CG-CE2 3.66Å; Y709-Y1071 HydrophobicContact CG-CE2 3.66Å; Y709-Y1071 AromaticContact CZ-CD2 3.68Å; Q1058-Y1071 HydrophobicContact CB-CD1 4.11Å; Q1058-Y1071 HydrophobicContact CB-CE1 3.72Å; Q1058-Y1071 HydrophobicContact CG-CE1 3.78Å; I1062-Y1071 VanDerWaalsContact CD1-CB 3.49Å; I1062-Y1071 HydrophobicContact CD1-CD1 3.74Å; I1062-Y1071 HydrophobicContact CD1-CD2 3.75Å; I1062-Y1071 HydrophobicContact CD1-CE1 4.43Å; I1062-Y1071 HydrophobicContact CD1-CE2 4.44Å; I1062-Y1071 HydrophobicContact CD1-CG 3.36Å; L1067-Y1071 VanDerWaalsContact O-CB 3.29Å; L1067-Y1071 WeakPolarHBondContact O-CB 3.47Å; L1067-Y1071 PolarHBondContact O-N 2.66Å; A1068-Y1071 PolarHBondContact O-N 2.97Å; Y1071-Q1073 PolarHBondContact O-N 3.11Å; Y1071-D1074 PolarHBondContact O-N 2.95Å; Y1071-D1074 VanDerWaalsContact O-N 3.09Å; Y1071-I1075 HydrophobicContact CD1-CG1 4.01Å; Y1071-I1075 HydrophobicContact CD2-CG1 4.39Å; Y1071-I1075 HydrophobicContact CE1-CD1 4.5Å; Y1071-I1075 HydrophobicContact CE1-CG1 3.63Å; Y1071-I1075 HydrophobicContact CE2-CD1 4.12Å; Y1071-I1075 HydrophobicContact CE2-CG1 4.05Å; Y1071-I1075 HydrophobicContact CG-CG1 4.37Å; Y1071-I1075 WeakPolarHBondContact O-CG1 3.28Å; Y1071-I1075 PolarHBondContact O-N 3.46Å
1072	L	97	Very high	92.2	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-55.4	-40.1	179	-69.9	176	0	0	0	112.5	M1050 V1055 Q1058 V1059 A1068 I1075 V1076 I1087	M1050-L1072 HydrophobicContact CE-CD2 3.93Å; M1050-L1072 HydrophobicContact SD-CD2 4.09Å; V1055-L1072 HydrophobicContact CB-CD2 4.43Å; V1055-L1072 HydrophobicContact CG1-CD1 3.89Å; V1055-L1072 HydrophobicContact CG1-CD2 4.23Å; V1055-L1072 HydrophobicContact CG2-CD2 4.22Å; Q1058-L1072 HydrophobicContact CB-CD2 4.2Å; V1059-L1072 HydrophobicContact CG2-CD1 3.6Å; V1059-L1072 HydrophobicContact CG2-CG 4.22Å; A1068-L1072 WeakPolarHBondContact O-CG 3.49Å; A1068-L1072 PolarHBondContact O-N 3.19Å; L1072-I1075 PolarHBondContact O-N 3.28Å; L1072-V1076 WeakPolarHBondContact O-CB 3.43Å; L1072-V1076 WeakPolarHBondContact O-CG2 3.47Å; L1072-V1076 PolarHBondContact O-N 3.39Å; L1072-I1087 HydrophobicContact CB-CD1 3.5Å; L1072-I1087 VanDerWaalsContact CB-CD1 3.5Å; L1072-I1087 HydrophobicContact CD1-CD1 4.41Å; L1072-I1087 HydrophobicContact CD1-CG2 4.1Å
1073	Q	95.3	Very high	91.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.9	-46.7	176.4	168.8	176.8	-55.9	0	0	112.7	S845 Q846 F847 A1069 K1070 Y1071 I1075 R1077 I1085 I1087	S845-Q1073 VanDerWaalsContact CB-OE1 3.31Å; S845-Q1073 PolarHBondContact OG-NE2 2.92Å; S845-Q1073 PolarHBondContact OG-OE1 2.84Å; Q846-Q1073 VanDerWaalsContact CA-OE1 3.22Å; Q846-Q1073 PolarHBondContact O-NE2 2.9Å; Q846-Q1073 PolarHBondContact O-OE1 3.45Å; Q846-Q1073 VanDerWaalsContact O-OE1 3.08Å; F847-Q1073 HydrophobicContact CB-CG 4.04Å; A1069-Q1073 PolarHBondContact O-N 3.25Å; K1070-Q1073 WeakPolarHBondContact O-CB 3.3Å; K1070-Q1073 PolarHBondContact O-N 2.93Å; Y1071-Q1073 PolarHBondContact O-N 3.11Å; Q1073-I1075 VanDerWaalsContact C-N 3.33Å; Q1073-I1075 PolarHBondContact O-N 2.8Å; Q1073-R1077 WeakPolarHBondContact O-CB 3.4Å; Q1073-R1077 WeakPolarHBondContact O-CG 3.45Å; Q1073-R1077 PolarHBondContact O-N 3.31Å; Q1073-I1085 HydrophobicContact CB-CG2 4.18Å; Q1073-I1085 HydrophobicContact CG-CG2 4.11Å; Q1073-I1087 HydrophobicContact CB-CD1 4.28Å
1074	D	95.2	Very high	91.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.6	-41.5	175.9	-72.9	-42.5	0	0	0	111.5	Y709 N730 R753 H755 K1070 Y1071 R1077 A1078	Y709-D1074 HydrophobicContact CE2-CB 3.66Å; Y709-D1074 VanDerWaalsContact CE2-OD2 3.27Å; Y709-D1074 WeakPolarHBondContact CE2-OD2 3.24Å; Y709-D1074 PolarHBondContact OH-OD2 3.06Å; N730-D1074 PolarHBondContact ND2-OD1 2.87Å; R753-D1074 IonicContact CZ-OD1 3.16Å; R753-D1074 IonicContact NE-OD1 3.81Å; R753-D1074 PolarHBondContact NE-OD1 3.1Å; R753-D1074 IonicContact NH2-OD1 3.94Å; R753-D1074 PolarHBondContact NH2-OD1 2.92Å; R753-D1074 IonicContact NH2-OD2 2.67Å; H755-D1074 IonicContact CE1-OD2 2.64Å; H755-D1074 PolarHBondContact CE1-OD2 3.29Å; H755-D1074 IonicContact NE2-OD1 2.74Å; H755-D1074 IonicContact NE2-OD2 3.11Å; H755-D1074 PolarHBondContact NE2-OD2 3.38Å; H755-D1074 VanDerWaalsContact NE2-OD2 3.14Å; K1070-D1074 PolarHBondContact O-N 2.96Å; Y1071-D1074 PolarHBondContact O-N 2.95Å; Y1071-D1074 VanDerWaalsContact O-N 3.09Å; D1074-R1077 CarbonylContact O-C 3.59Å; D1074-R1077 WeakPolarHBondContact O-CB 3.26Å; D1074-R1077 PolarHBondContact O-N 2.85Å; D1074-A1078 VanDerWaalsContact O-CB 3.28Å; D1074-A1078 WeakPolarHBondContact O-CB 2.87Å; D1074-A1078 PolarHBondContact O-N 3.45Å
1075	I	96.1	Very high	92.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-69.7	-41.3	-178.7	-58.7	-46.2	0	0	0	111.7	H660 A684 S685 Y709 M1050 Y1071 L1072 Q1073 R1077 A1078 Y1079	H660-I1075 WeakPolarHBondContact CE1-CD1 3.41Å; H660-I1075 WeakPolarHBondContact CE1-CG1 3.18Å; H660-I1075 WeakPolarHBondContact CE1-CG2 3.45Å; A684-I1075 HydrophobicContact CB-CD1 4.24Å; S685-I1075 WeakPolarHBondContact OG-CD1 3.5Å; Y709-I1075 HydrophobicContact CD2-CD1 4.19Å; M1050-I1075 HydrophobicContact CE-CG2 4.04Å; M1050-I1075 HydrophobicContact SD-CB 4.47Å; M1050-I1075 HydrophobicContact SD-CG2 4.15Å; Y1071-I1075 HydrophobicContact CD1-CG1 4.01Å; Y1071-I1075 HydrophobicContact CD2-CG1 4.39Å; Y1071-I1075 HydrophobicContact CE1-CD1 4.5Å; Y1071-I1075 HydrophobicContact CE1-CG1 3.63Å; Y1071-I1075 HydrophobicContact CE2-CD1 4.12Å; Y1071-I1075 HydrophobicContact CE2-CG1 4.05Å; Y1071-I1075 HydrophobicContact CG-CG1 4.37Å; Y1071-I1075 WeakPolarHBondContact O-CG1 3.28Å; Y1071-I1075 PolarHBondContact O-N 3.46Å; L1072-I1075 PolarHBondContact O-N 3.28Å; Q1073-I1075 VanDerWaalsContact C-N 3.33Å; Q1073-I1075 PolarHBondContact O-N 2.8Å; I1075-R1077 VanDerWaalsContact C-N 3.3Å; I1075-R1077 PolarHBondContact O-N 3.49Å; I1075-A1078 PolarHBondContact O-N 2.94Å; I1075-Y1079 HydrophobicContact CG2-CD1 4.23Å; I1075-Y1079 HydrophobicContact CG2-CD2 4.32Å; I1075-Y1079 HydrophobicContact CG2-CE1 3.71Å; I1075-Y1079 HydrophobicContact CG2-CE2 3.79Å; I1075-Y1079 VanDerWaalsContact CG2-CZ 3.45Å; I1075-Y1079 PolarHBondContact O-N 2.91Å
1076	V	95.7	Very high	92.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.9	-41	171.7	170	0	0	0	0	110.9	V1046 T1049 M1050 L1072 C1081 I1085	V1046-V1076 HydrophobicContact CB-CG2 4.43Å; V1046-V1076 HydrophobicContact CG1-CG2 4.04Å; V1046-V1076 HydrophobicContact CG2-CG1 4.43Å; V1046-V1076 HydrophobicContact CG2-CG2 4.27Å; T1049-V1076 HydrophobicContact CG2-CB 4.35Å; T1049-V1076 HydrophobicContact CG2-CG1 4.04Å; T1049-V1076 HydrophobicContact CG2-CG2 4.44Å; M1050-V1076 HydrophobicContact CG-CG2 3.95Å; M1050-V1076 HydrophobicContact SD-CG2 3.6Å; L1072-V1076 WeakPolarHBondContact O-CB 3.43Å; L1072-V1076 WeakPolarHBondContact O-CG2 3.47Å; L1072-V1076 PolarHBondContact O-N 3.39Å; V1076-C1081 HydrophobicContact CG1-CB 3.47Å; V1076-C1081 VanDerWaalsContact CG1-CB 3.47Å; V1076-C1081 WeakPolarHBondContact O-CB 3.2Å; V1076-C1081 PolarHBondContact O-N 2.84Å; V1076-C1081 VanDerWaalsContact O-N 3.13Å; V1076-I1085 HydrophobicContact CB-CD1 4.22Å; V1076-I1085 HydrophobicContact CG1-CD1 3.59Å; V1076-I1085 HydrophobicContact CG1-CG1 3.97Å
1077	R	93.3	Very high	92.7	Very high	37 Å²	37	21.3 Å²	21.3	14%	0.14	11%	0.105	C	C	.	.	H	α-helix	trans	-64.8	-42.4	172.6	-79	-68.9	-61.6	108.5	11.1	112.7	E728 F847 Q1073 D1074 I1075 Y1079 R1080 C1081 I1085	E728-R1077 VanDerWaalsContact CD-NH2 3.27Å; E728-R1077 IonicContact OE1-CZ 3.2Å; E728-R1077 IonicContact OE1-NE 3.69Å; E728-R1077 IonicContact OE1-NH2 3.14Å; E728-R1077 PolarHBondContact OE1-NH2 3.48Å; E728-R1077 IonicContact OE2-NH2 2.83Å; E728-R1077 PolarHBondContact OE2-NH2 2.88Å; E728-R1077 VanDerWaalsContact OE2-NH2 3.08Å; F847-R1077 HydrophobicContact CD1-CG 4.38Å; Q1073-R1077 WeakPolarHBondContact O-CB 3.4Å; Q1073-R1077 WeakPolarHBondContact O-CG 3.45Å; Q1073-R1077 PolarHBondContact O-N 3.31Å; D1074-R1077 CarbonylContact O-C 3.59Å; D1074-R1077 WeakPolarHBondContact O-CB 3.26Å; D1074-R1077 PolarHBondContact O-N 2.85Å; I1075-R1077 VanDerWaalsContact C-N 3.3Å; I1075-R1077 PolarHBondContact O-N 3.49Å; R1077-Y1079 VanDerWaalsContact C-N 3.33Å; R1077-Y1079 PolarHBondContact O-N 2.72Å; R1077-R1080 VanDerWaalsContact O-CA 3.28Å; R1077-R1080 WeakPolarHBondContact O-CA 3.35Å; R1077-R1080 PolarHBondContact O-N 2.81Å; R1077-C1081 PolarHBondContact NH1-O 2.87Å; R1077-I1085 HydrophobicContact CG-CD1 3.71Å
1078	A	94.6	Very high	92.9	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.008	9%	0.091	C	C	.	.	H	α-helix	trans	-68	-30.5	179.4	0	0	0	0	0	112.4	N657 A684 D1074 I1075 R1080	N657-A1078 PolarHBondContact ND2-O 2.91Å; A684-A1078 HydrophobicContact CB-CB 3.66Å; D1074-A1078 VanDerWaalsContact O-CB 3.28Å; D1074-A1078 WeakPolarHBondContact O-CB 2.87Å; D1074-A1078 PolarHBondContact O-N 3.45Å; I1075-A1078 PolarHBondContact O-N 2.94Å; A1078-R1080 PolarHBondContact O-N 3.38Å
1079	Y	94.4	Very high	93	Very high	14 Å²	14	18.5 Å²	18.5	6%	0.055	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	11.2	167.8	-62.5	-3.5	0	0	0	112.7	H614 H635 H636 H660 T1049 M1050 E1054 I1075 R1077	H614-Y1079 AromaticContact CE1-CD2 3.81Å; H614-Y1079 AromaticContact CE1-CE2 3.43Å; H614-Y1079 VanDerWaalsContact CE1-CE2 3.43Å; H614-Y1079 WeakPolarHBondContact CE1-CE2 3.26Å; H614-Y1079 AromaticContact NE2-CD2 3.59Å; H614-Y1079 AromaticContact NE2-CE2 3.66Å; H635-Y1079 HydrophobicContact CB-CD1 4.04Å; H635-Y1079 HydrophobicContact CB-CE1 4.2Å; H635-Y1079 AromaticContact CD2-CD1 3.31Å; H635-Y1079 WeakPolarHBondContact CD2-CD1 3.21Å; H635-Y1079 AromaticContact CD2-CE1 3.87Å; H635-Y1079 AromaticContact CD2-CG 3.5Å; H635-Y1079 AromaticContact CG-CD1 3.87Å; H635-Y1079 AromaticContact NE2-CG 3.9Å; H636-Y1079 PolarHBondContact ND1-OH 2.82Å; H660-Y1079 HydrophobicContact CB-CE1 4.14Å; H660-Y1079 PolarHBondContact CD2-OH 3.24Å; H660-Y1079 AromaticContact ND1-CE1 3.93Å; H660-Y1079 PolarHBondContact ND1-OH 3.4Å; T1049-Y1079 HydrophobicContact CG2-CD2 4.03Å; T1049-Y1079 HydrophobicContact CG2-CG 4.36Å; M1050-Y1079 HydrophobicContact CG-CD2 4.15Å; M1050-Y1079 HydrophobicContact CG-CE2 4Å; E1054-Y1079 WeakPolarHBondContact OE1-CE2 3.44Å; E1054-Y1079 PolarHBondContact OE1-OH 3.28Å; I1075-Y1079 HydrophobicContact CG2-CD1 4.23Å; I1075-Y1079 HydrophobicContact CG2-CD2 4.32Å; I1075-Y1079 HydrophobicContact CG2-CE1 3.71Å; I1075-Y1079 HydrophobicContact CG2-CE2 3.79Å; I1075-Y1079 VanDerWaalsContact CG2-CZ 3.45Å; I1075-Y1079 PolarHBondContact O-N 2.91Å; R1077-Y1079 VanDerWaalsContact C-N 3.33Å; R1077-Y1079 PolarHBondContact O-N 2.72Å
1080	R	89.8	Confident	92.9	Very high	73 Å²	73	18.5 Å²	18.5	28%	0.275	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	26.9	174.9	-50.2	-172.6	73.7	-140.7	-2.1	115.6	E680 R1077 A1078 T1082	E680-R1080 VanDerWaalsContact CD-NH2 3.26Å; E680-R1080 IonicContact OE1-NH2 2.75Å; E680-R1080 PolarHBondContact OE1-NH2 2.82Å; E680-R1080 VanDerWaalsContact OE1-NH2 3.1Å; E680-R1080 IonicContact OE2-CZ 2.71Å; E680-R1080 VanDerWaalsContact OE2-CZ 3.29Å; E680-R1080 IonicContact OE2-NE 3.81Å; E680-R1080 PolarHBondContact OE2-NE 3.43Å; E680-R1080 IonicContact OE2-NH2 3.26Å; E680-R1080 PolarHBondContact OE2-NH2 2.89Å; R1077-R1080 VanDerWaalsContact O-CA 3.28Å; R1077-R1080 WeakPolarHBondContact O-CA 3.35Å; R1077-R1080 PolarHBondContact O-N 2.81Å; A1078-R1080 PolarHBondContact O-N 3.38Å; R1080-T1082 PolarHBondContact O-N 2.91Å
1081	C	87.1	Confident	92.8	Very high	12 Å²	12	20.6 Å²	20.6	8%	0.081	10%	0.098	C	C	.	.			trans	-59.2	130.3	162.3	-179	0	0	0	0	110.4	T1049 V1076 R1077	T1049-C1081 HydrophobicContact CG2-CB 4.33Å; V1076-C1081 HydrophobicContact CG1-CB 3.47Å; V1076-C1081 VanDerWaalsContact CG1-CB 3.47Å; V1076-C1081 WeakPolarHBondContact O-CB 3.2Å; V1076-C1081 PolarHBondContact O-N 2.84Å; V1076-C1081 VanDerWaalsContact O-N 3.13Å; R1077-C1081 PolarHBondContact NH1-O 2.87Å
1082	T	82.2	Confident	92.5	Very high	107 Å²	107	20.4 Å²	20.4	66%	0.656	10%	0.098	S	C	*	.			trans	-117.5	10.2	177.9	67.2	0	0	0	0	113.3	R1080	R1080-T1082 PolarHBondContact O-N 2.91Å
1083	E	84.1	Confident	91.8	Very high	102 Å²	102	22.8 Å²	22.8	48%	0.477	12%	0.122	S	C	.	.	S	Bend	trans	-89.3	164	173.6	-69.6	170.8	-155.7	0	0	110.2	A1045	A1045-E1083 HydrophobicContact CB-CB 3.74Å
1084	D	89.8	Confident	90.8	Very high	21 Å²	21	23.8 Å²	23.8	11%	0.112	13%	0.126	C	C	.	.			trans	-64.6	137.9	172.1	-71.6	-4.6	0	0	0	110	F848 D849 S856 V857 N1043	F848-D1084 WeakPolarHBondContact CA-OD1 3.38Å; F848-D1084 HydrophobicContact CB-CB 4.21Å; F848-D1084 VanDerWaalsContact CB-CG 3.41Å; F848-D1084 WeakPolarHBondContact CB-OD1 3.23Å; D849-D1084 PolarHBondContact N-OD1 3.32Å; S856-D1084 WeakPolarHBondContact CB-OD2 3.21Å; S856-D1084 PolarHBondContact N-OD2 2.89Å; S856-D1084 PolarHBondContact OG-OD2 3.35Å; V857-D1084 HydrophobicContact CB-CB 4.17Å; V857-D1084 HydrophobicContact CG2-CB 3.72Å; N1043-D1084 PolarHBondContact ND2-O 3.28Å
1085	I	92.4	Very high	89.1	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133	-174.2	-66.3	158.3	0	0	0	109.1	Q846 F847 N1043 V1046 Q1073 V1076 R1077 I1087	Q846-I1085 VanDerWaalsContact CA-O 3.3Å; Q846-I1085 WeakPolarHBondContact CA-O 3.49Å; F847-I1085 HydrophobicContact CB-CB 4.41Å; F847-I1085 PolarHBondContact N-O 2.99Å; F847-I1085 PolarHBondContact O-N 2.95Å; N1043-I1085 WeakPolarHBondContact OD1-CA 3.21Å; V1046-I1085 HydrophobicContact CG2-CG2 3.87Å; Q1073-I1085 HydrophobicContact CB-CG2 4.18Å; Q1073-I1085 HydrophobicContact CG-CG2 4.11Å; V1076-I1085 HydrophobicContact CB-CD1 4.22Å; V1076-I1085 HydrophobicContact CG1-CD1 3.59Å; V1076-I1085 HydrophobicContact CG1-CG1 3.97Å; R1077-I1085 HydrophobicContact CG-CD1 3.71Å; I1085-I1087 HydrophobicContact CG2-CD1 4.06Å; I1085-I1087 HydrophobicContact CG2-CG1 4.02Å
1086	S	94.6	Very high	87.2	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	127.5	172.9	-177.7	0	0	0	0	110	Q859 A1042 N1043	Q859-S1086 WeakPolarHBondContact CG-OG 3.36Å; Q859-S1086 PolarHBondContact NE2-OG 2.84Å; A1042-S1086 VanDerWaalsContact CA-O 3.29Å; A1042-S1086 WeakPolarHBondContact CA-O 3.48Å; N1043-S1086 PolarHBondContact N-O 3.17Å; N1043-S1086 PolarHBondContact OD1-N 3.33Å; N1043-S1086 PolarHBondContact OD1-O 3.2Å
1087	I	96.2	Very high	84.8	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	135.1	-176.1	-55.9	-177.9	0	0	0	109.5	T844 S845 Q859 V1040 L1041 A1042 V1046 A1069 L1072 Q1073 I1085 V1089	T844-I1087 CarbonylContact C-O 3.56Å; T844-I1087 VanDerWaalsContact CA-O 3.3Å; T844-I1087 WeakPolarHBondContact CA-O 3.44Å; S845-I1087 PolarHBondContact N-O 2.69Å; S845-I1087 PolarHBondContact O-N 3.3Å; Q859-I1087 PolarHBondContact NE2-O 3.15Å; Q859-I1087 VanDerWaalsContact NE2-O 3.15Å; V1040-I1087 HydrophobicContact CG1-CG2 4.38Å; L1041-I1087 WeakPolarHBondContact O-CA 3.43Å; A1042-I1087 HydrophobicContact CB-CG1 4.15Å; V1046-I1087 HydrophobicContact CG1-CD1 4.4Å; V1046-I1087 HydrophobicContact CG2-CD1 3.98Å; V1046-I1087 HydrophobicContact CG2-CG1 3.96Å; A1069-I1087 HydrophobicContact CB-CB 4.46Å; A1069-I1087 HydrophobicContact CB-CG2 4.05Å; L1072-I1087 HydrophobicContact CB-CD1 3.5Å; L1072-I1087 VanDerWaalsContact CB-CD1 3.5Å; L1072-I1087 HydrophobicContact CD1-CD1 4.41Å; L1072-I1087 HydrophobicContact CD1-CG2 4.1Å; Q1073-I1087 HydrophobicContact CB-CD1 4.28Å; I1085-I1087 HydrophobicContact CG2-CD1 4.06Å; I1085-I1087 HydrophobicContact CG2-CG1 4.02Å; I1087-V1089 HydrophobicContact CG2-CG2 4.21Å
1088	M	95.3	Very high	82.6	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	136.9	164.2	-51.8	-173	173.3	0	0	109.9	L842 T844 Q859 K861 L874 G875 I876 V1040 L1041	L842-M1088 HydrophobicContact CD1-CB 4.27Å; T844-M1088 HydrophobicContact CG2-CB 4.04Å; T844-M1088 HydrophobicContact CG2-CG 3.73Å; T844-M1088 HydrophobicContact CG2-SD 4.47Å; Q859-M1088 HydrophobicContact CB-CE 3.52Å; Q859-M1088 HydrophobicContact CG-CE 3.6Å; K861-M1088 HydrophobicContact CG-CE 4.13Å; L874-M1088 HydrophobicContact CB-SD 3.99Å; L874-M1088 HydrophobicContact CD2-SD 4.2Å; L874-M1088 HydrophobicContact CG-SD 4.48Å; G875-M1088 WeakPolarHBondContact O-CE 3.25Å; I876-M1088 HydrophobicContact CD1-CG 4.36Å; I876-M1088 HydrophobicContact CG1-CE 4.27Å; I876-M1088 HydrophobicContact CG1-CG 4.49Å; V1040-M1088 CarbonylContact C-O 3.12Å; V1040-M1088 WeakPolarHBondContact CA-O 3.44Å; L1041-M1088 HydrophobicContact CB-CB 4.19Å; L1041-M1088 HydrophobicContact CD1-CB 4.37Å; L1041-M1088 HydrophobicContact CD2-SD 4.36Å; L1041-M1088 PolarHBondContact N-O 2.85Å; L1041-M1088 PolarHBondContact O-N 3.39Å
1089	V	95	Very high	80.2	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.3	172.3	179.8	0	0	0	0	108.5	L842 G843 L1039 V1040 V1059 P1065 A1068 A1069 I1087	L842-V1089 CarbonylContact C-O 3.39Å; L842-V1089 WeakPolarHBondContact CA-O 3.46Å; G843-V1089 PolarHBondContact N-O 2.99Å; G843-V1089 PolarHBondContact O-N 2.87Å; L1039-V1089 CarbonylContact O-C 3.58Å; L1039-V1089 WeakPolarHBondContact O-CA 3.39Å; V1040-V1089 HydrophobicContact CG2-CG2 4.43Å; V1059-V1089 HydrophobicContact CG1-CG1 3.59Å; V1059-V1089 HydrophobicContact CG2-CG2 4.27Å; P1065-V1089 HydrophobicContact CB-CB 3.89Å; P1065-V1089 HydrophobicContact CB-CG1 3.72Å; P1065-V1089 WeakPolarHBondContact CB-O 3.09Å; A1068-V1089 HydrophobicContact CB-CG2 4.49Å; A1069-V1089 HydrophobicContact CB-CG2 4.02Å; I1087-V1089 HydrophobicContact CG2-CG2 4.21Å
1090	I	93.2	Very high	77.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	114.5	173.9	-44	173.7	0	0	0	107.9	W840 K841 L842 L874 L938 F1038 L1039 L1041 F1092	W840-I1090 HydrophobicContact CB-CG2 4.44Å; W840-I1090 HydrophobicContact CD2-CG2 4.25Å; W840-I1090 HydrophobicContact CE3-CG2 3.63Å; W840-I1090 HydrophobicContact CZ3-CG2 4.24Å; K841-I1090 CarbonylContact O-C 3.31Å; K841-I1090 VanDerWaalsContact O-CA 3.3Å; K841-I1090 WeakPolarHBondContact O-CA 3.39Å; L842-I1090 HydrophobicContact CD1-CG1 4.03Å; L874-I1090 HydrophobicContact CD1-CD1 3.38Å; L874-I1090 HydrophobicContact CD1-CG1 4.03Å; L938-I1090 HydrophobicContact CD1-CD1 3.75Å; L938-I1090 HydrophobicContact CD2-CD1 4.06Å; L938-I1090 HydrophobicContact CD2-CG2 4.15Å; F1038-I1090 CarbonylContact C-O 3.46Å; F1038-I1090 WeakPolarHBondContact CA-O 3.39Å; F1038-I1090 WeakPolarHBondContact CB-O 3.47Å; L1039-I1090 HydrophobicContact CB-CB 4.2Å; L1039-I1090 HydrophobicContact CB-CD1 4.34Å; L1039-I1090 HydrophobicContact CB-CG1 4.46Å; L1039-I1090 HydrophobicContact CD2-CD1 3.86Å; L1039-I1090 PolarHBondContact N-O 2.75Å; L1039-I1090 PolarHBondContact O-N 3.41Å; L1041-I1090 HydrophobicContact CD1-CD1 4.37Å; I1090-F1092 HydrophobicContact CG2-CE1 3.92Å; I1090-F1092 HydrophobicContact CG2-CZ 4.33Å
1091	R	92.1	Very high	75.4	Confident	48 Å²	48	52.2 Å²	52.2	18%	0.181	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132	176.8	-176.1	174.5	-112.9	111	-0.1	111	W840 K841 F1038 V1059 R1060 I1062 P1063	W840-R1091 CarbonylContact C-O 3.54Å; W840-R1091 WeakPolarHBondContact CA-O 3.2Å; W840-R1091 WeakPolarHBondContact CB-O 3.25Å; K841-R1091 PolarHBondContact N-O 3.19Å; K841-R1091 PolarHBondContact O-N 2.65Å; F1038-R1091 HydrophobicContact CB-CB 4.28Å; F1038-R1091 HydrophobicContact CB-CG 4.49Å; V1059-R1091 PolarHBondContact O-NH1 3.06Å; V1059-R1091 PolarHBondContact O-NH2 3.2Å; R1060-R1091 PolarHBondContact O-NH2 3.15Å; I1062-R1091 PolarHBondContact O-NH1 2.93Å; P1063-R1091 VanDerWaalsContact C-NH1 3.33Å; P1063-R1091 VanDerWaalsContact O-CD 3.28Å; P1063-R1091 WeakPolarHBondContact O-CD 3.38Å; P1063-R1091 PolarHBondContact O-NH1 3.17Å
1092	F	89.6	Confident	73.3	Confident	13 Å²	13	57.7 Å²	57.7	6%	0.057	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	126.6	-178.6	-52.3	-63.5	0	0	0	111.4	W840 L938 I952 L964 L1032 D1036 E1037 L1039 I1090 F1094	W840-F1092 HydrophobicContact CB-CD1 3.94Å; L938-F1092 HydrophobicContact CD2-CE1 4.07Å; I952-F1092 HydrophobicContact CD1-CZ 4.03Å; L964-F1092 HydrophobicContact CD1-CE2 3.93Å; L1032-F1092 HydrophobicContact CD1-CD1 4.17Å; L1032-F1092 HydrophobicContact CD1-CE1 3.71Å; L1032-F1092 HydrophobicContact CD1-CE2 4.33Å; L1032-F1092 HydrophobicContact CD1-CZ 3.82Å; L1032-F1092 HydrophobicContact CD2-CD2 4.12Å; L1032-F1092 HydrophobicContact CD2-CE2 3.73Å; L1032-F1092 HydrophobicContact CD2-CZ 4Å; D1036-F1092 HydrophobicContact CB-CD2 4.45Å; E1037-F1092 PolarHBondContact O-N 2.8Å; L1039-F1092 HydrophobicContact CB-CE2 4.3Å; L1039-F1092 HydrophobicContact CB-CZ 4.09Å; I1090-F1092 HydrophobicContact CG2-CE1 3.92Å; I1090-F1092 HydrophobicContact CG2-CZ 4.33Å; F1092-F1094 HydrophobicContact CB-CD2 3.72Å; F1092-F1094 HydrophobicContact CB-CE2 3.55Å; F1092-F1094 HydrophobicContact CB-CG 4.41Å; F1092-F1094 HydrophobicContact CB-CZ 4.11Å; F1092-F1094 HydrophobicContact CD1-CE2 4.32Å; F1092-F1094 HydrophobicContact CD1-CZ 4.3Å; F1092-F1094 HydrophobicContact CD2-CE2 4.43Å; F1092-F1094 HydrophobicContact CG-CD2 4.49Å; F1092-F1094 AromaticContact CG-CE2 3.85Å; F1092-F1094 HydrophobicContact CG-CE2 3.85Å; F1092-F1094 HydrophobicContact CG-CZ 4.27Å; F1092-F1094 PolarHBondContact O-N 3.04Å
1093	G	82.4	Confident	71.5	Confident	50 Å²	50	57.3 Å²	57.3	52%	0.515	32%	0.32	S	S	.	.			trans	-95.7	43.2	177.9	0	0	0	0	0	112.8	N839	N839-G1093 WeakPolarHBondContact O-CA 3.34Å; N839-G1093 PolarHBondContact O-N 3.12Å
1094	F	73	Confident	69.5	Low	22 Å²	22	54.8 Å²	54.8	10%	0.096	31%	0.309	C	S	.	.			trans	-68	138.7	177.9	-60.8	-49.1	0	0	0	111.2	Y950 L1032 F1092 K1096	Y950-F1094 HydrophobicContact CD2-CE1 4.1Å; Y950-F1094 HydrophobicContact CD2-CZ 4.31Å; L1032-F1094 HydrophobicContact CB-CE2 4.13Å; L1032-F1094 HydrophobicContact CB-CZ 4.07Å; L1032-F1094 HydrophobicContact CD1-CZ 4.29Å; F1092-F1094 HydrophobicContact CB-CD2 3.72Å; F1092-F1094 HydrophobicContact CB-CE2 3.55Å; F1092-F1094 HydrophobicContact CB-CG 4.41Å; F1092-F1094 HydrophobicContact CB-CZ 4.11Å; F1092-F1094 HydrophobicContact CD1-CE2 4.32Å; F1092-F1094 HydrophobicContact CD1-CZ 4.3Å; F1092-F1094 HydrophobicContact CD2-CE2 4.43Å; F1092-F1094 HydrophobicContact CG-CD2 4.49Å; F1092-F1094 AromaticContact CG-CE2 3.85Å; F1092-F1094 HydrophobicContact CG-CE2 3.85Å; F1092-F1094 HydrophobicContact CG-CZ 4.27Å; F1092-F1094 PolarHBondContact O-N 3.04Å; F1094-K1096 PolarHBondContact O-N 2.94Å
1095	P	59.5	Low	67.1	Low	89 Å²	89	60.9 Å²	60.9	58%	0.578	33%	0.334	S	S	*	.			trans	-72	89.4	179.5	28.9	-34.6	0	0	0	110.9
1096	K	56	Low	64.3	Low	62 Å²	62	65.2 Å²	65.2	27%	0.27	36%	0.361	S	S	.	.			trans	-59.6	137.1	179.7	-61	-169	176	-172.2	0	110.9	E1037 F1094 M1104	E1037-K1096 IonicContact OE2-NZ 3.77Å; E1037-K1096 PolarHBondContact OE2-NZ 2.99Å; F1094-K1096 PolarHBondContact O-N 2.94Å; K1096-M1104 HydrophobicContact CD-SD 4.39Å; K1096-M1104 PolarHBondContact NZ-SD 2.9Å
1097	K	45.9	Very low	61.2	Low	190 Å²	190	68.2 Å²	68.2	83%	0.826	39%	0.386	S	S	*	.			trans	-122.3	126.9	179	-66.8	179.7	-179	176.3	0	110.1
1098	G	47.1	Very low	57.9	Low	60 Å²	60	74 Å²	74	62%	0.619	42%	0.421	S	S	*	.	S	Bend	trans	118.4	-173.5	177.8	0	0	0	0	0	113.2	D1100	G1098-D1100 PolarHBondContact O-N 3.02Å
1099	A	44.1	Very low	54.6	Low	77 Å²	77	79.8 Å²	79.8	64%	0.636	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-19.2	-175.1	0	0	0	0	0	114	F1101 I1102	A1099-F1101 PolarHBondContact O-N 2.98Å; A1099-I1102 PolarHBondContact O-N 2.92Å; A1099-I1102 VanDerWaalsContact O-N 3.14Å
1100	D	43.7	Very low	51.4	Low	108 Å²	108	88.2 Å²	88.2	58%	0.578	49%	0.492	S	S	*	.	H	α-helix	trans	-60.1	-17.3	-175.9	-54.8	-48.4	0	0	0	114.2	G1098 I1102 N1103 M1104	G1098-D1100 PolarHBondContact O-N 3.02Å; D1100-I1102 PolarHBondContact O-N 3.21Å; D1100-N1103 PolarHBondContact O-N 3.14Å; D1100-M1104 PolarHBondContact O-N 3.05Å
1101	F	41.1	Very low	48.2	Very low	136 Å²	136	99 Å²	99	60%	0.596	53%	0.533	S	S	*	.	H	α-helix	trans	-60.1	-33.6	175.7	-163.5	-91.1	0	0	0	112.7	A1099	A1099-F1101 PolarHBondContact O-N 2.98Å
1102	I	42.5	Very low	45.1	Very low	127 Å²	127	103.1 Å²	103.1	65%	0.651	55%	0.554	S	S	*	*	H	α-helix	trans	-77.6	-35.3	-179.5	-60.7	177.2	0	0	0	111.1	A1099 D1100 M1104 T1106	A1099-I1102 PolarHBondContact O-N 2.92Å; A1099-I1102 VanDerWaalsContact O-N 3.14Å; D1100-I1102 PolarHBondContact O-N 3.21Å; I1102-M1104 VanDerWaalsContact C-N 3.33Å; I1102-M1104 PolarHBondContact O-N 2.88Å; I1102-T1106 PolarHBondContact O-OG1 3.18Å
1103	N	43.3	Very low	42	Very low	99 Å²	99	112.5 Å²	112.5	53%	0.529	59%	0.589	S	S	.	*	H	α-helix	trans	-82.2	-5.9	-175	-67.7	-19.4	0	0	0	114.2	D1100 T1106	D1100-N1103 PolarHBondContact O-N 3.14Å; N1103-T1106 WeakPolarHBondContact CA-OG1 3.45Å
1104	M	42.7	Very low	39.4	Very low	49 Å²	49	120.9 Å²	120.9	24%	0.241	61%	0.605	C	S	.	*	T	Hydrogen-bonded Turn	trans	-70.6	-34	-176.8	-160.5	179.9	75.7	0	0	112.8	K1096 D1100 I1102	K1096-M1104 HydrophobicContact CD-SD 4.39Å; K1096-M1104 PolarHBondContact NZ-SD 2.9Å; D1100-M1104 PolarHBondContact O-N 3.05Å; I1102-M1104 VanDerWaalsContact C-N 3.33Å; I1102-M1104 PolarHBondContact O-N 2.88Å
1105	F	39.9	Very low	37.2	Very low	148 Å²	148	129.1 Å²	129.1	65%	0.649	64%	0.641	S	S	*	*	S	Bend	trans	-101.1	-4.5	-174.5	-61.6	-74.8	0	0	0	114.5
1106	T	34.1	Very low	35.6	Very low	92 Å²	92	129.4 Å²	129.4	56%	0.564	65%	0.651	S	S	*	*			trans	-106.8	13.1	-176.8	52.5	0	0	0	0	113.4	I1102 N1103 T1108	I1102-T1106 PolarHBondContact O-OG1 3.18Å; N1103-T1106 WeakPolarHBondContact CA-OG1 3.45Å; T1106-T1108 PolarHBondContact O-N 2.85Å
1107	A	28.3	Very low	34.3	Very low	62 Å²	62	132.1 Å²	132.1	51%	0.512	68%	0.678	S	S	.	*			trans	-69.5	91.4	-174.7	0	0	0	0	0	112.7
1108	T	27.6	Very low	33.3	Very low	121 Å²	121	132.9 Å²	132.9	74%	0.742	68%	0.681	S	S	*	*			trans	-61.2	152.2	156.6	21.5	0	0	0	0	110.4	T1106 Y1110	T1106-T1108 PolarHBondContact O-N 2.85Å; T1108-Y1110 PolarHBondContact O-N 2.99Å
1109	P	26.3	Very low	32.3	Very low	123 Å²	123	135.9 Å²	135.9	80%	0.799	69%	0.687	S	S	*	*			trans	-56.2	124.4	-179.9	-25.7	34.9	0	0	0	111.9	R1111	P1109-R1111 PolarHBondContact O-N 2.73Å
1110	Y	26.7	Very low	31.5	Very low	176 Å²	176	137.5 Å²	137.5	69%	0.69	69%	0.691	S	S	*	*			trans	-72.3	98.1	-178.7	-168	-99	0	0	0	109.6	T1108	T1108-Y1110 PolarHBondContact O-N 2.99Å
1111	R	26.9	Very low	30.8	Very low	226 Å²	226	138.4 Å²	138.4	85%	0.853	70%	0.701	S	S	*	*			trans	-50.6	142.1	-177.7	-89.1	-176.9	164.4	-179.8	-6.1	112.4	P1109 R1113	P1109-R1111 PolarHBondContact O-N 2.73Å; R1111-R1113 PolarHBondContact O-N 2.81Å
1112	E	27	Very low	30.2	Very low	135 Å²	135	139.3 Å²	139.3	63%	0.631	71%	0.712	S	S	*	*			trans	-55.1	93.1	-176.6	-60.4	-176.9	117.1	0	0	113.9	R1114	E1112-R1114 VanDerWaalsContact C-N 3.27Å; E1112-R1114 PolarHBondContact O-N 3.26Å
1113	R	24.7	Very low	29.4	Very low	211 Å²	211	138.7 Å²	138.7	80%	0.796	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	66.2	171.6	-78.1	-170.3	166.6	-168.8	-1.6	111.8	R1111	R1111-R1113 PolarHBondContact O-N 2.81Å
1114	R	26.4	Very low	28.8	Very low	226 Å²	226	143.4 Å²	143.4	85%	0.853	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.8	-3.9	162.6	-115.9	167.4	-157.6	-151.3	1.9	118.9	E1112	E1112-R1114 VanDerWaalsContact C-N 3.27Å; E1112-R1114 PolarHBondContact O-N 3.26Å
1115	F	27.3	Very low	28.1	Very low	195 Å²	195	145.5 Å²	145.5	86%	0.855	76%	0.757	S	S	*	*	S	Bend	trans	-130.1	70.4	169	-75.3	-71.2	0	0	0	112.9
1116	A	25.3	Very low	27.5	Very low	94 Å²	94	145.5 Å²	145.5	78%	0.777	76%	0.764	S	S	*	*			trans	-151.3	86.7	167.3	0	0	0	0	0	110.5	K1118	A1116-K1118 PolarHBondContact O-N 3.39Å
1117	S	29.1	Very low	27.3	Very low	120 Å²	120	146.1 Å²	146.1	84%	0.839	77%	0.771	S	S	*	*			trans	-64.7	127.3	161.3	40.3	0	0	0	0	108.5	V1119	S1117-V1119 PolarHBondContact O-N 3.13Å
1118	K	26.5	Very low	27.3	Very low	206 Å²	206	149 Å²	149	90%	0.896	79%	0.788	S	S	*	*			trans	-62.4	119.3	-175.3	-66.7	177.7	178.5	179.1	0	111.1	A1116	A1116-K1118 PolarHBondContact O-N 3.39Å
1119	V	25.5	Very low	27.4	Very low	122 Å²	122	147.2 Å²	147.2	74%	0.739	79%	0.794	S	S	*	*			trans	-113	113	152.6	-178.2	0	0	0	0	106.5	S1117 V1121	S1117-V1119 PolarHBondContact O-N 3.13Å; V1119-V1121 HydrophobicContact CG1-CG2 4.29Å
1120	P	27	Very low	27.5	Very low	112 Å²	112	146.9 Å²	146.9	73%	0.727	79%	0.794	S	S	*	*			trans	-81.6	131.8	172.4	32.5	-30.4	0	0	0	109.6
1121	V	27.9	Very low	27.9	Very low	127 Å²	127	143.3 Å²	143.3	77%	0.77	79%	0.793	S	S	*	*			trans	-128.1	125.1	167.7	-178.3	0	0	0	0	107.1	V1119	V1119-V1121 HydrophobicContact CG1-CG2 4.29Å
1122	N	29.9	Very low	27.9	Very low	155 Å²	155	138.9 Å²	138.9	83%	0.829	79%	0.786	S	S	*	*			trans	-74.7	147.5	176.9	-69.1	-16.5	0	0	0	110.2
1123	S	25.5	Very low	28.1	Very low	114 Å²	114	142.2 Å²	142.2	80%	0.797	79%	0.794	S	S	*	*			trans	-84.7	114	168.3	54	0	0	0	0	110.6
1124	E	30.1	Very low	28.3	Very low	198 Å²	198	140.9 Å²	140.9	93%	0.925	80%	0.797	S	S	*	*			trans	-155.9	173.5	150.8	-120.6	162.3	-135.8	0	0	110.3
1125	S	27.4	Very low	28.4	Very low	93 Å²	93	136 Å²	136	65%	0.65	79%	0.788	S	S	*	*			trans	-120	158.4	-145.7	56.6	0	0	0	0	117
1126	N	29.2	Very low	28.7	Very low	148 Å²	148	132.1 Å²	132.1	79%	0.791	78%	0.782	S	S	*	*			trans	83.1	152.2	154.9	-61.3	-22.7	0	0	0	121.1
1127	S	29.2	Very low	28.8	Very low	104 Å²	104	137.7 Å²	137.7	73%	0.727	78%	0.783	S	S	*	*			trans	62.9	94.6	155.9	43.5	0	0	0	0	120.7
1128	S	27.1	Very low	28.9	Very low	122 Å²	122	140.5 Å²	140.5	85%	0.853	79%	0.788	S	S	*	*				36.8	116.8	121.1	60.6	0	0	0	0	120.7
1129	G	29.8	Very low	29.1	Very low	85 Å²	85	134.7 Å²	134.7	88%	0.876	78%	0.778	S	S	*	*			trans	177.1	141.6	160.4	0	0	0	0	0	112.6
1130	S	28.2	Very low	29.1	Very low	115 Å²	115	137 Å²	137	80%	0.804	79%	0.785	S	S	*	*			trans	-139	171.7	175.5	60.1	0	0	0	0	109.5
1131	P	35.8	Very low	29.4	Very low	101 Å²	101	137.5 Å²	137.5	66%	0.656	79%	0.789	S	S	*	*				-129.7	-166.5	-56.8	35.4	-18.4	0	0	0	112.4
1132	D	27.5	Very low	29.4	Very low	134 Å²	134	140.8 Å²	140.8	72%	0.717	79%	0.793	S	S	*	*			trans	105	143.2	150.4	-60	-24.3	0	0	0	122.4
1133	Y	29.8	Very low	29.4	Very low	204 Å²	204	139.4 Å²	139.4	80%	0.8	79%	0.792	S	S	*	*			trans	84.1	115.4	158.9	-75.5	-67.9	0	0	0	124.3
1134	E	29.7	Very low	29.6	Very low	183 Å²	183	141.6 Å²	141.6	86%	0.855	79%	0.793	S	S	*	*			trans	76.3	132.9	149.1	-49.5	-147.2	140.1	0	0	123.6
1135	D	28.3	Very low	29.5	Very low	125 Å²	125	143.8 Å²	143.8	67%	0.668	79%	0.793	S	S	*	*			trans	-111.1	143.8	173.5	161.2	61.3	0	0	0	108.7	R1137	D1135-R1137 PolarHBondContact OD1-N 3.07Å
1136	P	33.2	Very low	29.4	Very low	113 Å²	113	147.6 Å²	147.6	73%	0.734	80%	0.803	S	S	*	*				-145.2	108.5	120.6	32.9	-15.4	0	0	0	116.8
1137	R	27.5	Very low	29.3	Very low	211 Å²	211	151.1 Å²	151.1	80%	0.796	81%	0.811	S	S	*	*			trans	60.2	114	130	-54.7	174.5	-172.1	178.5	3.6	120.1	D1135	D1135-R1137 PolarHBondContact OD1-N 3.07Å
1138	L	31.1	Very low	29.1	Very low	179 Å²	179	149.1 Å²	149.1	94%	0.937	81%	0.808	S	S	*	*			trans	-177.6	136.7	138.6	-96	162.5	0	0	0	107.3
1139	A	31	Very low	29.1	Very low	83 Å²	83	150.5 Å²	150.5	69%	0.686	81%	0.805	S	S	*	*			cis	-153.8	153.4	-11.4	0	0	0	0	0	109.5
1140	L	25.6	Very low	29.1	Very low	171 Å²	171	151.5 Å²	151.5	90%	0.895	80%	0.795	S	S	*	*			trans	-113.4	131.3	176.3	-78.1	168.2	0	0	0	112
1141	P	32.5	Very low	28.9	Very low	123 Å²	123	152.1 Å²	152.1	80%	0.799	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-78.8	148.9	172.3	31.7	-32.7	0	0	0	112.3
1142	K	29.4	Very low	28.7	Very low	196 Å²	196	157.1 Å²	157.1	85%	0.852	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-84.1	147.4	-171.1	-60.4	171.7	-177.8	173.7	0	112.8
1143	P	28.5	Very low	28.8	Very low	125 Å²	125	156.2 Å²	156.2	81%	0.812	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-75.4	146.8	167.5	32.5	-34.3	0	0	0	111.6
1144	I	30.1	Very low	28.7	Very low	161 Å²	161	151 Å²	151	83%	0.826	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-87.5	133.2	179.7	-64.9	172.9	0	0	0	110.1
1145	R	28.7	Very low	28.7	Very low	244 Å²	244	151.5 Å²	151.5	92%	0.921	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-89.3	148.5	167	-71	179.2	171.5	178.8	-4	110.2
1146	M	24.5	Very low	28.8	Very low	173 Å²	173	153.1 Å²	153.1	85%	0.852	80%	0.8	S	S	*	*			trans	-121.4	134.7	161.2	-73.5	-172.5	175.3	0	0	109.7
1147	F	28.5	Very low	28.3	Very low	221 Å²	221	152.1 Å²	152.1	97%	0.969	80%	0.796	S	S	*	*			trans	-170	143.3	157.8	-100	-66.2	0	0	0	109.6
1148	G	25	Very low	28.5	Very low	63 Å²	63	148.9 Å²	148.9	65%	0.649	80%	0.8	S	S	*	*			trans	96.8	78.3	141	0	0	0	0	0	120.6
1149	N	27.3	Very low	28.2	Very low	151 Å²	151	147.4 Å²	147.4	81%	0.807	79%	0.793	S	S	*	*				74.4	136.4	120.1	-69.2	19.4	0	0	0	125.2
1150	T	28.2	Very low	28	Very low	106 Å²	106	153 Å²	153	65%	0.65	80%	0.802	S	S	*	*			trans	77.5	111	137.2	49.7	0	0	0	0	122.8
1151	D	25.7	Very low	27.8	Very low	128 Å²	128	154.6 Å²	154.6	68%	0.684	80%	0.796	S	S	*	*				66.7	120	128.3	-45	-21.2	0	0	0	121.3
1152	Y	30.7	Very low	27.5	Very low	205 Å²	205	157.9 Å²	157.9	80%	0.804	80%	0.798	S	S	*	*				-174.1	127.5	86.7	-105.8	-85.7	0	0	0	113.7
1153	T	29.3	Very low	27.4	Very low	115 Å²	115	153.3 Å²	153.3	71%	0.706	80%	0.797	S	S	*	*			trans	44.8	142.9	148.3	49.8	0	0	0	0	125.9
1154	S	28.8	Very low	27.1	Very low	96 Å²	96	156.8 Å²	156.8	67%	0.671	80%	0.799	S	S	*	*			trans	74.2	118.3	146.5	57.3	0	0	0	0	122.5
1155	E	28.3	Very low	27	Very low	193 Å²	193	154.4 Å²	154.4	90%	0.902	80%	0.797	S	S	*	*			trans	54.5	120.3	135	-61	170.3	-176.7	0	0	118.1
1156	D	30.5	Very low	27	Very low	158 Å²	158	147.5 Å²	147.5	85%	0.845	79%	0.792	S	S	*	*				-153.4	-169.5	58	-151.3	-28.6	0	0	0	113.3
1157	S	24	Very low	27	Very low	92 Å²	92	149.7 Å²	149.7	64%	0.643	79%	0.792	S	S	*	*			trans	-91.2	150.3	-167.6	58.1	0	0	0	0	115.8
1158	T	30.2	Very low	27	Very low	144 Å²	144	144.6 Å²	144.6	88%	0.883	78%	0.784	S	S	*	*			trans	-171.2	148.4	141.5	9.9	0	0	0	0	112.8
1159	D	24.8	Very low	27	Very low	147 Å²	147	147.4 Å²	147.4	79%	0.786	79%	0.789	S	S	*	*			trans	-72.3	146.9	175	-90.2	-69.9	0	0	0	113.5
1160	F	26.9	Very low	27	Very low	201 Å²	201	148.4 Å²	148.4	88%	0.882	79%	0.792	S	S	*	*			trans	-138	122.9	152.5	-98.9	-80.1	0	0	0	112.9
1161	R	21.9	Very low	27	Very low	204 Å²	204	154 Å²	154	77%	0.77	80%	0.801	S	S	*	*			trans	-128.5	164.6	166	-86.3	-173.7	170.2	-178.3	0.6	109.2
1162	F	25.3	Very low	26.9	Very low	193 Å²	193	157.1 Å²	157.1	85%	0.846	81%	0.809	S	S	*	*			trans	72	158.9	173.1	-61.7	-67.7	0	0	0	113.8
1163	A	27.4	Very low	26.7	Very low	100 Å²	100	156.9 Å²	156.9	83%	0.826	81%	0.812	S	S	*	*			cis	-134.8	172.1	22.6	0	0	0	0	0	116.7
1164	K	23.3	Very low	26.6	Very low	198 Å²	198	159.5 Å²	159.5	86%	0.861	81%	0.813	S	S	*	*			trans	-138.3	129.1	175.7	-142	-177.4	-168.5	178.2	0	108.2
1165	S	27.2	Very low	26.5	Very low	110 Å²	110	161.3 Å²	161.3	77%	0.769	81%	0.811	S	S	*	*			trans	59.1	122.6	157.8	173.2	0	0	0	0	119.6
1166	A	28.3	Very low	26.5	Very low	100 Å²	100	158 Å²	158	83%	0.826	80%	0.796	S	S	*	*			trans	-138.5	129.7	145.3	0	0	0	0	0	110.9
1167	Y	24.8	Very low	26.4	Very low	218 Å²	218	158 Å²	158	86%	0.855	79%	0.789	S	S	*	*			trans	-82.5	156.9	159.3	-93.9	-107.9	0	0	0	109
1168	S	29.4	Very low	26.5	Very low	114 Å²	114	162.9 Å²	162.9	80%	0.797	79%	0.793	S	S	*	*			trans	-127.9	153.8	159.6	66.6	0	0	0	0	110.9
1169	V	24.2	Very low	26.5	Very low	123 Å²	123	162.3 Å²	162.3	75%	0.745	78%	0.78	S	S	*	*			trans	-141.1	130.7	-175.4	173.6	0	0	0	0	109.1
1170	I	28.1	Very low	26.7	Very low	172 Å²	172	160.2 Å²	160.2	88%	0.882	78%	0.777	S	S	*	*			trans	-120.7	151.8	170.1	-62.2	-177.1	0	0	0	109.1
1171	R	27.2	Very low	26.8	Very low	222 Å²	222	155 Å²	155	84%	0.838	77%	0.765	S	S	*	*			trans	-113.1	135.2	-157.3	-74.6	174.5	165.2	179.1	-3.3	115.5
1172	K	24.1	Very low	27.1	Very low	195 Å²	195	150.8 Å²	150.8	85%	0.848	76%	0.763	S	S	*	*			trans	40.2	129.4	134.3	-62.1	-176.1	175.2	-177.1	0	121.7
1173	K	26.4	Very low	27.2	Very low	200 Å²	200	148.4 Å²	148.4	87%	0.87	76%	0.759	S	S	*	*				-151.1	134.1	112.1	-94.8	165.1	-178.2	179.4	0	106.3
1174	K	26.4	Very low	27.2	Very low	169 Å²	169	146.5 Å²	146.5	74%	0.735	75%	0.748	S	S	*	*				55.9	135.7	75.6	-91.1	-162.6	166.7	-154	0	112.6
1175	Q	27.8	Very low	27.2	Very low	135 Å²	135	143 Å²	143	63%	0.631	74%	0.738	S	S	*	*			cis	-162.6	154.1	30.8	-149.2	171.1	-31.7	0	0	114.4
1176	E	27.8	Very low	27.2	Very low	123 Å²	123	146.3 Å²	146.3	58%	0.575	74%	0.741	S	S	*	*			trans	41	158	145.8	-77.3	157.7	-123.9	0	0	123.1
1177	K	28.3	Very low	27	Very low	159 Å²	159	150.8 Å²	150.8	69%	0.691	74%	0.742	S	S	*	*			cis	-150	146.9	19.8	-117.5	141.8	-178	-172.9	0	109.1
1178	R	27	Very low	27	Very low	193 Å²	193	145.2 Å²	145.2	73%	0.728	74%	0.741	S	S	*	*				61.3	147.1	92.7	-72.5	176.7	164	-145	9.1	115
1179	E	29.1	Very low	26.7	Very low	132 Å²	132	149.7 Å²	149.7	62%	0.617	75%	0.746	S	S	*	*			cis	-163.4	156.7	15.4	-136.9	142.7	-157.1	0	0	115.6
1180	S	29.3	Very low	27.5	Very low	103 Å²	103	149.6 Å²	149.6	72%	0.72	75%	0.748	S	S	*	*			trans	63.3	151.5	138.8	59.7	0	0	0	0	124.9
1181	S	28.7	Very low	27.3	Very low	92 Å²	92	147.8 Å²	147.8	64%	0.643	75%	0.745	S	S	*	*			cis	-178.1	162.2	-18.2	57.7	0	0	0	0	115.3
1182	T	28.3	Very low	27.1	Very low	116 Å²	116	147.6 Å²	147.6	71%	0.712	74%	0.744	S	S	*	*			trans	64.3	155.4	145.4	49.9	0	0	0	0	120.7
1183	N	27.5	Very low	27.1	Very low	143 Å²	143	144 Å²	144	77%	0.765	74%	0.738	S	S	*	*			cis	-162.3	172.7	-8.8	-104.2	-13.9	0	0	0	108.4
1184	G	27.6	Very low	27	Very low	59 Å²	59	140.3 Å²	140.3	61%	0.608	73%	0.733	S	S	*	*			cis	-161.1	164.1	2.1	0	0	0	0	0	111
1185	I	24.1	Very low	27	Very low	125 Å²	125	136.5 Å²	136.5	64%	0.641	73%	0.727	S	S	*	*				71.4	112.7	82.7	-52.6	164.7	0	0	0	112.8
1186	H	27.8	Very low	27	Very low	180 Å²	180	137 Å²	137	83%	0.833	73%	0.73	S	S	*	*				-158.2	179.2	85.6	-106.9	-75.4	0	0	0	116.4
1187	F	23.7	Very low	27	Very low	193 Å²	193	137.3 Å²	137.3	85%	0.846	73%	0.731	S	S	*	*			trans	-87.4	-178.5	-172.9	-72.4	-101.9	0	0	0	113.2
1188	A	24.3	Very low	27	Very low	102 Å²	102	138.8 Å²	138.8	84%	0.843	73%	0.733	S	S	*	*			cis	-157.8	-155.4	29.1	0	0	0	0	0	116.1
1189	K	23.2	Very low	26.9	Very low	208 Å²	208	135.8 Å²	135.8	90%	0.904	74%	0.736	S	S	*	*			trans	-115.4	168.6	-165.4	-95.8	-176.4	176.7	179.3	0	114.7
1190	P	41.1	Very low	26.9	Very low	120 Å²	120	134.7 Å²	134.7	78%	0.779	74%	0.743	S	S	*	*			trans	-108	172.9	-162.2	41.5	-37.5	0	0	0	116.7
1191	V	23.4	Very low	26.7	Very low	135 Å²	135	139 Å²	139	82%	0.818	75%	0.749	S	S	*	*			trans	-159.8	147.1	156.4	117.5	0	0	0	0	115.5
1192	R	24.3	Very low	26.9	Very low	218 Å²	218	140.2 Å²	140.2	82%	0.823	75%	0.754	S	S	*	*			trans	-8.8	163.5	153.7	-64.5	-172.2	174.3	165.4	-3.9	121.3
1193	T	23.7	Very low	26.7	Very low	118 Å²	118	142.6 Å²	142.6	72%	0.724	76%	0.757	S	S	*	*			cis	-176.5	-179.1	-13.1	35	0	0	0	0	110.7
1194	V	24.3	Very low	26.7	Very low	123 Å²	123	142 Å²	142	75%	0.745	76%	0.759	S	S	*	*			trans	89.2	95.2	155.8	179.9	0	0	0	0	117.4
1195	S	25.3	Very low	26.5	Very low	90 Å²	90	147.2 Å²	147.2	63%	0.629	77%	0.767	S	S	*	*				89.6	167.5	99.6	88	0	0	0	0	115.2
1196	H	28.1	Very low	26.5	Very low	146 Å²	146	146.2 Å²	146.2	68%	0.676	78%	0.777	S	S	*	*			cis	-165.5	160.5	22.7	-130.3	-47.8	0	0	0	113.6
1197	H	27.5	Very low	26.4	Very low	129 Å²	129	143.1 Å²	143.1	60%	0.597	78%	0.776	S	S	*	*			trans	70.9	160.2	153.3	-71.9	117.6	0	0	0	120.6
1198	Y	29.1	Very low	26.5	Very low	190 Å²	190	139.9 Å²	139.9	75%	0.745	77%	0.773	S	S	*	*			cis	-145.2	139.7	4	-117.5	-61.9	0	0	0	112
1199	V	25.9	Very low	27	Very low	130 Å²	130	140 Å²	140	79%	0.788	77%	0.765	S	S	*	*			trans	43.2	136.6	138.6	157.6	0	0	0	0	121.1
1200	S	28.3	Very low	27.1	Very low	109 Å²	109	135.9 Å²	135.9	76%	0.762	76%	0.757	S	S	*	*				-154.5	177.4	51.5	69.1	0	0	0	0	118.7
1201	K	24.2	Very low	26.4	Very low	194 Å²	194	138.5 Å²	138.5	84%	0.843	76%	0.758	S	S	*	*			trans	-137.7	169.9	170.7	-104.6	-176.4	-178	-179	0	106.2
1202	P	32.6	Very low	26.5	Very low	116 Å²	116	137.1 Å²	137.1	75%	0.753	75%	0.751	S	S	*	*			cis	-153.2	-151	45.5	45.1	-21.5	0	0	0	116.8
1203	Q	24.4	Very low	26.6	Very low	166 Å²	166	135.6 Å²	135.6	78%	0.776	75%	0.746	S	S	*	*			trans	-87.4	168.3	-168.4	-50.2	135.4	-85	0	0	115.1
1204	V	27.6	Very low	26.8	Very low	131 Å²	131	137.3 Å²	137.3	79%	0.794	75%	0.746	S	S	*	*				-176.1	119.1	129.8	147.5	0	0	0	0	105.9
1205	Q	24.1	Very low	26.9	Very low	168 Å²	168	136 Å²	136	79%	0.785	74%	0.742	S	S	*	*				81.5	117.8	63.8	-91.7	-169.3	-11.6	0	0	116.4
1206	A	23.1	Very low	26.9	Very low	104 Å²	104	138.6 Å²	138.6	86%	0.86	75%	0.748	S	S	*	*			trans	65.2	158.6	157.1	0	0	0	0	0	117.9
1207	S	27	Very low	27	Very low	115 Å²	115	138.2 Å²	138.2	80%	0.804	75%	0.747	S	S	*	*			cis	-151.4	165.5	-5.2	46.6	0	0	0	0	112.4
1208	T	26.3	Very low	27	Very low	126 Å²	126	141.2 Å²	141.2	77%	0.773	75%	0.753	S	S	*	*			trans	-70	-177	162.7	53.5	0	0	0	0	112
1209	P	34.6	Very low	27	Very low	104 Å²	104	141 Å²	141	68%	0.675	75%	0.75	S	S	*	*			cis	-147.4	-179.9	11.2	43.8	-23.6	0	0	0	119
1210	V	24.4	Very low	27.1	Very low	122 Å²	122	143.2 Å²	143.2	74%	0.739	75%	0.745	S	S	*	*			trans	70.1	151.5	144.2	155.8	0	0	0	0	116.9
1211	Q	27.6	Very low	27.2	Very low	174 Å²	174	147.9 Å²	147.9	81%	0.813	75%	0.747	S	S	*	*			cis	-145	174.6	23.3	-151.3	135.7	30	0	0	115.2
1212	T	24.6	Very low	27.4	Very low	107 Å²	107	148.6 Å²	148.6	66%	0.656	75%	0.746	S	S	*	*			trans	-60.4	161.5	178.5	42.5	0	0	0	0	116.6
1213	Y	27.4	Very low	27.2	Very low	185 Å²	185	146.7 Å²	146.7	73%	0.725	75%	0.747	S	S	*	*				-164.3	139	86.9	-113.4	-110.9	0	0	0	115.9
1214	Q	26.2	Very low	27.4	Very low	155 Å²	155	144 Å²	144	72%	0.724	74%	0.739	S	S	*	*			trans	27.6	148.6	136.5	-60	-175.2	3.8	0	0	122
1215	S	26.7	Very low	27.7	Very low	95 Å²	95	143.5 Å²	143.5	66%	0.664	73%	0.731	S	S	*	*			cis	-168.8	-154.6	-6.7	53.2	0	0	0	0	108.7
1216	L	25.9	Very low	28.4	Very low	144 Å²	144	142.8 Å²	142.8	75%	0.754	73%	0.728	S	S	*	*			cis	-164.7	-175.5	8.3	-135	-179	0	0	0	109.8
1217	Q	30	Very low	29.2	Very low	139 Å²	139	141.9 Å²	141.9	65%	0.65	71%	0.709	S	S	*	*			trans	73.8	106	166.1	-50.1	-135.8	42.1	0	0	117.4
1218	R	27.3	Very low	29.7	Very low	191 Å²	191	145.8 Å²	145.8	72%	0.721	71%	0.706	S	S	*	*				80.9	139.3	84.1	-74.6	177.9	-175.4	178.7	-2.8	113.2
1219	R	29.9	Very low	30.6	Very low	185 Å²	185	147.1 Å²	147.1	70%	0.698	70%	0.703	S	S	*	*			cis	-164.8	141.2	4.4	-125.9	175.8	-175.5	-172.7	2	111.1
1220	R	27.7	Very low	31	Very low	177 Å²	177	150.9 Å²	150.9	67%	0.668	70%	0.704	S	S	*	*			trans	45.6	141.4	146.8	-64.7	179.8	-177.6	-178.9	-1.2	119.9
1221	Y	30.7	Very low	31.9	Very low	207 Å²	207	152 Å²	152	81%	0.812	70%	0.699	S	S	*	*				-143.7	-179.9	51.8	-103.5	-86.6	0	0	0	115.6
1222	Y	27.8	Very low	33	Very low	209 Å²	209	146.9 Å²	146.9	82%	0.82	68%	0.677	S	S	*	*			trans	-88.3	159.3	-166.8	-84	-101.8	0	0	0	115.4
1223	G	28.1	Very low	34.2	Very low	76 Å²	76	146.8 Å²	146.8	78%	0.784	67%	0.672	S	S	*	*			trans	155.8	54.3	154.3	0	0	0	0	0	117.6
1224	D	29.3	Very low	34.9	Very low	111 Å²	111	140.8 Å²	140.8	59%	0.594	66%	0.661	S	S	*	*			trans	-153.2	55.6	-179.9	-157.1	15.5	0	0	0	116.6	N1227	D1224-N1227 WeakPolarHBondContact OD1-CB 3.3Å; D1224-N1227 PolarHBondContact OD1-ND2 2.96Å
1225	D	33.8	Very low	35.9	Very low	120 Å²	120	140.6 Å²	140.6	64%	0.642	66%	0.658	S	S	*	*	S	Bend	trans	-98	-26.3	175	-91.6	-56.3	0	0	0	114.6	N1227 R1228	D1225-N1227 PolarHBondContact O-N 2.81Å; D1225-R1228 PolarHBondContact O-N 3.3Å
1226	E	38	Very low	37.1	Very low	153 Å²	153	143.9 Å²	143.9	72%	0.715	66%	0.656	S	S	*	*	H	α-helix	trans	-67.9	-35.3	-179.9	-67.7	-164.3	131.4	0	0	113.1	R1228 Q1229 R1230	E1226-R1228 PolarHBondContact O-N 3.36Å; E1226-Q1229 PolarHBondContact O-N 2.91Å; E1226-R1230 PolarHBondContact O-N 2.66Å
1227	N	39.1	Very low	38.3	Very low	85 Å²	85	142 Å²	142	46%	0.455	65%	0.646	S	S	.	*	H	α-helix	trans	-64.1	-25.4	178.9	-83.6	-52.4	0	0	0	113.1	D1224 D1225 K1231	D1224-N1227 WeakPolarHBondContact OD1-CB 3.3Å; D1224-N1227 PolarHBondContact OD1-ND2 2.96Å; D1225-N1227 PolarHBondContact O-N 2.81Å; N1227-K1231 WeakPolarHBondContact O-CG 3.45Å; N1227-K1231 PolarHBondContact O-N 2.93Å
1228	R	37.8	Very low	38.9	Very low	197 Å²	197	138.4 Å²	138.4	74%	0.743	64%	0.639	S	S	*	*	H	α-helix	trans	-73.1	-46	177.9	-128.8	174	-175.8	169.1	1.1	111	D1225 E1226 K1231 D1232	D1225-R1228 PolarHBondContact O-N 3.3Å; E1226-R1228 PolarHBondContact O-N 3.36Å; R1228-K1231 PolarHBondContact O-N 2.84Å; R1228-D1232 PolarHBondContact O-N 3.05Å; R1228-D1232 VanDerWaalsContact O-N 3.11Å
1229	Q	46.5	Very low	39.8	Very low	154 Å²	154	135 Å²	135	72%	0.72	63%	0.631	S	S	*	*	H	α-helix	trans	-64.8	-41.2	178.4	-62.4	-168.1	6	0	0	112.4	E1226 K1231 D1232 L1233	E1226-Q1229 PolarHBondContact O-N 2.91Å; Q1229-K1231 PolarHBondContact O-N 2.81Å; Q1229-D1232 PolarHBondContact O-N 2.91Å; Q1229-L1233 PolarHBondContact O-N 2.92Å
1230	R	42.4	Very low	40.4	Very low	182 Å²	182	133.3 Å²	133.3	69%	0.687	63%	0.629	S	S	*	*	H	α-helix	trans	-62.6	-42.1	176.6	-71.9	-176.8	175.3	-169	-2.3	112.8	E1226 D1232 L1233 A1234	E1226-R1230 PolarHBondContact O-N 2.66Å; R1230-D1232 VanDerWaalsContact C-N 3.35Å; R1230-D1232 PolarHBondContact O-N 3.38Å; R1230-L1233 PolarHBondContact O-N 2.95Å; R1230-A1234 WeakPolarHBondContact O-CB 3.43Å; R1230-A1234 PolarHBondContact O-N 3.19Å
1231	K	43.3	Very low	41	Very low	145 Å²	145	127.7 Å²	127.7	63%	0.63	62%	0.62	S	S	*	*	H	α-helix	trans	-65.9	-35.3	176.2	-76	175.4	179.5	173	0	112.7	N1227 R1228 Q1229 K1235	N1227-K1231 WeakPolarHBondContact O-CG 3.45Å; N1227-K1231 PolarHBondContact O-N 2.93Å; R1228-K1231 PolarHBondContact O-N 2.84Å; Q1229-K1231 PolarHBondContact O-N 2.81Å; K1231-K1235 PolarHBondContact O-N 2.91Å
1232	D	50	Low	41.2	Very low	68 Å²	68	120.8 Å²	120.8	36%	0.364	60%	0.602	S	S	.	*	H	α-helix	trans	-74.2	-37.1	177.6	-117.9	42.9	0	0	0	112.9	R1228 Q1229 R1230 K1235 R1236	R1228-D1232 PolarHBondContact O-N 3.05Å; R1228-D1232 VanDerWaalsContact O-N 3.11Å; Q1229-D1232 PolarHBondContact O-N 2.91Å; R1230-D1232 VanDerWaalsContact C-N 3.35Å; R1230-D1232 PolarHBondContact O-N 3.38Å; D1232-K1235 PolarHBondContact O-N 2.75Å; D1232-R1236 VanDerWaalsContact O-CG 3.28Å; D1232-R1236 WeakPolarHBondContact O-CG 3.49Å; D1232-R1236 PolarHBondContact O-N 3.35Å; D1232-R1236 IonicContact OD2-CZ 3.74Å; D1232-R1236 IonicContact OD2-NE 3.37Å; D1232-R1236 IonicContact OD2-NH2 2.69Å; D1232-R1236 PolarHBondContact OD2-NH2 2.64Å
1233	L	50.4	Low	41.9	Very low	105 Å²	105	115.3 Å²	115.3	55%	0.55	58%	0.584	S	S	.	*	H	α-helix	trans	-63.1	-44.9	172.2	-175.7	62.7	0	0	0	111.1	Q1229 R1230 K1235 R1236 L1237	Q1229-L1233 PolarHBondContact O-N 2.92Å; R1230-L1233 PolarHBondContact O-N 2.95Å; L1233-K1235 VanDerWaalsContact C-N 3.34Å; L1233-K1235 PolarHBondContact O-N 3.05Å; L1233-R1236 PolarHBondContact O-N 2.62Å; L1233-R1236 VanDerWaalsContact O-N 3.16Å; L1233-L1237 HydrophobicContact CD1-CD1 4.44Å; L1233-L1237 HydrophobicContact CD1-CG 4.48Å; L1233-L1237 HydrophobicContact CG-CD1 4.12Å; L1233-L1237 WeakPolarHBondContact O-CG 3.49Å; L1233-L1237 PolarHBondContact O-N 3.47Å
1234	A	42.7	Very low	42.3	Very low	59 Å²	59	114.4 Å²	114.4	49%	0.488	57%	0.569	S	S	.	*	H	α-helix	trans	-58.9	-42.6	174.8	0	0	0	0	0	112.2	R1230 L1237 A1238	R1230-A1234 WeakPolarHBondContact O-CB 3.43Å; R1230-A1234 PolarHBondContact O-N 3.19Å; A1234-L1237 PolarHBondContact O-N 3.37Å; A1234-A1238 VanDerWaalsContact O-CB 3.31Å; A1234-A1238 WeakPolarHBondContact O-CB 3.49Å; A1234-A1238 PolarHBondContact O-N 3.09Å
1235	K	46.5	Very low	42.7	Very low	150 Å²	150	118.9 Å²	118.9	65%	0.652	58%	0.577	S	S	*	*	H	α-helix	trans	-61.4	-43.6	172.9	-80.2	-176.2	177.7	-178.8	0	112.7	K1231 D1232 L1233 A1238 H1239	K1231-K1235 PolarHBondContact O-N 2.91Å; D1232-K1235 PolarHBondContact O-N 2.75Å; L1233-K1235 VanDerWaalsContact C-N 3.34Å; L1233-K1235 PolarHBondContact O-N 3.05Å; K1235-A1238 PolarHBondContact O-N 2.96Å; K1235-H1239 WeakPolarHBondContact O-CB 3.44Å; K1235-H1239 PolarHBondContact O-N 3.34Å
1236	R	51.6	Low	42.9	Very low	165 Å²	165	119.2 Å²	119.2	62%	0.623	58%	0.575	S	S	*	*	H	α-helix	trans	-66.1	-39.5	179.5	-68.8	169.6	-157.1	-158.1	6	112	D1232 L1233 H1239 K1240	D1232-R1236 VanDerWaalsContact O-CG 3.28Å; D1232-R1236 WeakPolarHBondContact O-CG 3.49Å; D1232-R1236 PolarHBondContact O-N 3.35Å; D1232-R1236 IonicContact OD2-CZ 3.74Å; D1232-R1236 IonicContact OD2-NE 3.37Å; D1232-R1236 IonicContact OD2-NH2 2.69Å; D1232-R1236 PolarHBondContact OD2-NH2 2.64Å; L1233-R1236 PolarHBondContact O-N 2.62Å; L1233-R1236 VanDerWaalsContact O-N 3.16Å; R1236-H1239 PolarHBondContact O-N 3.28Å; R1236-K1240 PolarHBondContact O-N 2.9Å
1237	L	50.5	Low	42.7	Very low	105 Å²	105	115.7 Å²	115.7	55%	0.55	57%	0.567	S	S	.	*	H	α-helix	trans	-67.7	-44.7	174.7	-70	171.4	0	0	0	111.8	L1233 A1234 H1239 K1240 A1241	L1233-L1237 HydrophobicContact CD1-CD1 4.44Å; L1233-L1237 HydrophobicContact CD1-CG 4.48Å; L1233-L1237 HydrophobicContact CG-CD1 4.12Å; L1233-L1237 WeakPolarHBondContact O-CG 3.49Å; L1233-L1237 PolarHBondContact O-N 3.47Å; A1234-L1237 PolarHBondContact O-N 3.37Å; L1237-H1239 VanDerWaalsContact C-N 3.28Å; L1237-H1239 PolarHBondContact O-N 3.49Å; L1237-K1240 PolarHBondContact O-N 2.82Å; L1237-A1241 WeakPolarHBondContact O-CB 3.47Å; L1237-A1241 PolarHBondContact O-N 3.46Å
1238	A	42.8	Very low	42.4	Very low	62 Å²	62	118.1 Å²	118.1	51%	0.512	58%	0.58	S	S	.	*	H	α-helix	trans	-60.4	-37.2	173.7	0	0	0	0	0	112.3	A1234 K1235 A1241 C1242	A1234-A1238 VanDerWaalsContact O-CB 3.31Å; A1234-A1238 WeakPolarHBondContact O-CB 3.49Å; A1234-A1238 PolarHBondContact O-N 3.09Å; K1235-A1238 PolarHBondContact O-N 2.96Å; A1238-A1241 PolarHBondContact O-N 3.08Å; A1238-C1242 WeakPolarHBondContact O-CB 3.42Å; A1238-C1242 PolarHBondContact O-N 3.13Å
1239	H	47.1	Very low	42.2	Very low	119 Å²	119	118.2 Å²	118.2	55%	0.551	58%	0.58	S	S	*	*	H	α-helix	trans	-68.8	-41.9	176.3	-155.8	79.8	0	0	0	112.1	K1235 R1236 L1237 C1242 Q1243	K1235-H1239 WeakPolarHBondContact O-CB 3.44Å; K1235-H1239 PolarHBondContact O-N 3.34Å; R1236-H1239 PolarHBondContact O-N 3.28Å; L1237-H1239 VanDerWaalsContact C-N 3.28Å; L1237-H1239 PolarHBondContact O-N 3.49Å; H1239-C1242 PolarHBondContact O-N 2.91Å; H1239-Q1243 PolarHBondContact CD2-NE2 3.24Å; H1239-Q1243 VanDerWaalsContact CD2-NE2 3.29Å; H1239-Q1243 PolarHBondContact NE2-NE2 3.45Å; H1239-Q1243 WeakPolarHBondContact O-CG 3.35Å; H1239-Q1243 PolarHBondContact O-N 3.28Å
1240	K	42.9	Very low	41.4	Very low	150 Å²	150	114.7 Å²	114.7	65%	0.652	57%	0.572	S	S	*	*	H	α-helix	trans	-61.9	-41	171.7	-78.1	-171.1	173.2	-172.5	0	112.5	R1236 L1237 C1242 Q1243 A1244	R1236-K1240 PolarHBondContact O-N 2.9Å; L1237-K1240 PolarHBondContact O-N 2.82Å; K1240-C1242 VanDerWaalsContact C-N 3.34Å; K1240-C1242 PolarHBondContact O-N 2.95Å; K1240-Q1243 PolarHBondContact O-N 3.34Å; K1240-A1244 WeakPolarHBondContact O-CB 3.43Å; K1240-A1244 PolarHBondContact O-N 2.89Å
1241	A	39.4	Very low	40.9	Very low	59 Å²	59	111.4 Å²	111.4	49%	0.488	57%	0.572	S	S	.	*	H	α-helix	trans	-65.9	-35.4	175.3	0	0	0	0	0	112.5	L1237 A1238 R1245	L1237-A1241 WeakPolarHBondContact O-CB 3.47Å; L1237-A1241 PolarHBondContact O-N 3.46Å; A1238-A1241 PolarHBondContact O-N 3.08Å; A1241-R1245 PolarHBondContact O-N 3.44Å; A1241-R1245 VanDerWaalsContact O-N 3.07Å
1242	C	36.2	Very low	40.4	Very low	63 Å²	63	109.8 Å²	109.8	43%	0.426	57%	0.574	S	S	.	*	H	α-helix	trans	-67.7	-44.3	173.4	-164.8	0	0	0	0	111.6	A1238 H1239 K1240 A1244 R1245 Q1246	A1238-C1242 WeakPolarHBondContact O-CB 3.42Å; A1238-C1242 PolarHBondContact O-N 3.13Å; H1239-C1242 PolarHBondContact O-N 2.91Å; K1240-C1242 VanDerWaalsContact C-N 3.34Å; K1240-C1242 PolarHBondContact O-N 2.95Å; C1242-A1244 PolarHBondContact O-N 2.99Å; C1242-R1245 CarbonylContact O-C 3.56Å; C1242-R1245 PolarHBondContact O-N 3.04Å; C1242-Q1246 WeakPolarHBondContact O-CG 3.16Å; C1242-Q1246 PolarHBondContact O-N 3.29Å
1243	Q	40.9	Very low	39.3	Very low	94 Å²	94	113.4 Å²	113.4	44%	0.439	59%	0.594	S	S	.	*	H	α-helix	trans	-60	-42.9	173.7	-73.3	175.4	-12.4	0	0	111.5	H1239 K1240 R1245 Q1246 S1247	H1239-Q1243 PolarHBondContact CD2-NE2 3.24Å; H1239-Q1243 VanDerWaalsContact CD2-NE2 3.29Å; H1239-Q1243 PolarHBondContact NE2-NE2 3.45Å; H1239-Q1243 WeakPolarHBondContact O-CG 3.35Å; H1239-Q1243 PolarHBondContact O-N 3.28Å; K1240-Q1243 PolarHBondContact O-N 3.34Å; Q1243-R1245 VanDerWaalsContact C-N 3.35Å; Q1243-R1245 PolarHBondContact O-N 3.12Å; Q1243-Q1246 PolarHBondContact O-N 3.44Å; Q1243-Q1246 VanDerWaalsContact O-N 3.12Å; Q1243-S1247 PolarHBondContact O-N 3.33Å; Q1243-S1247 PolarHBondContact O-OG 2.98Å
1244	A	37.4	Very low	38.3	Very low	56 Å²	56	112.2 Å²	112.2	46%	0.463	60%	0.599	S	S	.	*	H	α-helix	trans	-60.2	-40.4	174	0	0	0	0	0	112.8	K1240 C1242 S1247 L1248	K1240-A1244 WeakPolarHBondContact O-CB 3.43Å; K1240-A1244 PolarHBondContact O-N 2.89Å; C1242-A1244 PolarHBondContact O-N 2.99Å; A1244-S1247 PolarHBondContact O-N 3.04Å; A1244-L1248 PolarHBondContact O-N 2.98Å
1245	R	37.2	Very low	37.6	Very low	206 Å²	206	119.7 Å²	119.7	78%	0.777	62%	0.621	S	S	*	*	H	α-helix	trans	-69.6	-28.9	173.3	-82.8	-176.6	165.9	179.2	-4.2	113.6	A1241 C1242 Q1243	A1241-R1245 PolarHBondContact O-N 3.44Å; A1241-R1245 VanDerWaalsContact O-N 3.07Å; C1242-R1245 CarbonylContact O-C 3.56Å; C1242-R1245 PolarHBondContact O-N 3.04Å; Q1243-R1245 VanDerWaalsContact C-N 3.35Å; Q1243-R1245 PolarHBondContact O-N 3.12Å
1246	Q	37.6	Very low	36.6	Very low	127 Å²	127	115.8 Å²	115.8	59%	0.593	62%	0.623	S	S	*	*	H	α-helix	trans	-73.9	-40.4	173.3	-73.5	178.4	-17.9	0	0	111.7	C1242 Q1243 L1248 R1249 S1250	C1242-Q1246 WeakPolarHBondContact O-CG 3.16Å; C1242-Q1246 PolarHBondContact O-N 3.29Å; Q1243-Q1246 PolarHBondContact O-N 3.44Å; Q1243-Q1246 VanDerWaalsContact O-N 3.12Å; Q1246-L1248 PolarHBondContact O-N 3.15Å; Q1246-R1249 PolarHBondContact O-N 3.37Å; Q1246-S1250 PolarHBondContact O-N 3.37Å
1247	S	34.1	Very low	35.6	Very low	78 Å²	78	119.7 Å²	119.7	55%	0.545	64%	0.638	S	S	.	*	H	α-helix	trans	-63.9	-15.3	172.9	-62.3	0	0	0	0	114.4	Q1243 A1244 S1250	Q1243-S1247 PolarHBondContact O-N 3.33Å; Q1243-S1247 PolarHBondContact O-OG 2.98Å; A1244-S1247 PolarHBondContact O-N 3.04Å; S1247-S1250 PolarHBondContact O-OG 2.78Å
1248	L	34.1	Very low	34.5	Very low	137 Å²	137	124.2 Å²	124.2	72%	0.717	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-9.8	170.9	-86.2	161.7	0	0	0	114.1	A1244 Q1246	A1244-L1248 PolarHBondContact O-N 2.98Å; Q1246-L1248 PolarHBondContact O-N 3.15Å
1249	R	33.1	Very low	34	Very low	199 Å²	199	127.4 Å²	127.4	75%	0.751	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-11.5	171.3	-78.2	-173.9	168.1	-173.5	-3.6	113.7	Q1246 T1252	Q1246-R1249 PolarHBondContact O-N 3.37Å; R1249-T1252 PolarHBondContact O-OG1 3.15Å
1250	S	30.4	Very low	33.1	Very low	80 Å²	80	131.5 Å²	131.5	56%	0.559	69%	0.685	S	S	*	*	S	Bend	trans	-77.4	-17.9	176.2	51.2	0	0	0	0	114	Q1246 S1247	Q1246-S1250 PolarHBondContact O-N 3.37Å; S1247-S1250 PolarHBondContact O-OG 2.78Å
1251	V	31.5	Very low	32.5	Very low	112 Å²	112	127.9 Å²	127.9	68%	0.679	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-83.7	-21.7	179.9	-177.4	0	0	0	0	112.6
1252	T	31.9	Very low	32	Very low	111 Å²	111	135.3 Å²	135.3	68%	0.681	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-87.2	3	-179	44.6	0	0	0	0	115.2	R1249	R1249-T1252 PolarHBondContact O-OG1 3.15Å
1253	N	28	Very low	31.6	Very low	144 Å²	144	140.9 Å²	140.9	77%	0.77	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-113.1	19	-178	-88.5	-23.7	0	0	0	114.3
1254	A	27.7	Very low	31	Very low	80 Å²	80	143.2 Å²	143.2	66%	0.661	75%	0.752	S	S	*	*	S	Bend	trans	-89.4	-14.5	-176.3	0	0	0	0	0	115.6
1255	F	28.3	Very low	30.5	Very low	217 Å²	217	147.2 Å²	147.2	95%	0.952	77%	0.766	S	S	*	*	S	Bend	trans	-107.5	75.5	179.4	-84.1	-80.4	0	0	0	112.1
1256	G	26.4	Very low	30.1	Very low	67 Å²	67	145.2 Å²	145.2	69%	0.691	77%	0.765	S	S	*	*			trans	-161.1	64.6	-173.6	0	0	0	0	0	116.3
1257	R	29.8	Very low	29.4	Very low	248 Å²	248	148.9 Å²	148.9	94%	0.936	78%	0.775	S	S	*	*			trans	-135.1	90.7	163.8	-76	-164.3	174.2	-168.4	-1.2	113.3
1258	K	27.1	Very low	29.1	Very low	199 Å²	199	154.2 Å²	154.2	87%	0.865	79%	0.788	S	S	*	*			trans	-84.1	124	148.8	-71.8	179.7	177.4	177.1	0	108.1
1259	P	33.7	Very low	28.5	Very low	129 Å²	129	153.4 Å²	153.4	84%	0.838	79%	0.792	S	S	*	*			trans	-79.4	124.9	159.2	31	-28.8	0	0	0	109.2
1260	K	28.3	Very low	28.3	Very low	206 Å²	206	151.9 Å²	151.9	90%	0.896	80%	0.797	S	S	*	*			trans	-104	128.7	164	-90.8	-169.2	171.7	-172.9	0	108.4
1261	G	28.8	Very low	27.9	Very low	74 Å²	74	153 Å²	153	76%	0.763	81%	0.805	S	S	*	*			trans	-142.3	89.6	-176.3	0	0	0	0	0	113.5
1262	K	30.5	Very low	27.7	Very low	214 Å²	214	155.5 Å²	155.5	93%	0.93	81%	0.813	S	S	*	*			trans	67.6	169	167.5	-63.2	-176.4	175.3	-178.4	0	117.3
1263	Q	26.4	Very low	27.3	Very low	180 Å²	180	156.2 Å²	156.2	84%	0.841	82%	0.817	S	S	*	*			trans	-115	154.2	-165.8	-56.5	148.8	-70.8	0	0	110.6
1264	T	29.6	Very low	27.8	Very low	143 Å²	143	154.6 Å²	154.6	88%	0.877	81%	0.814	S	S	*	*				-172.4	166.8	122.6	17.8	0	0	0	0	110.5
1265	N	25.6	Very low	27.9	Very low	141 Å²	141	159.8 Å²	159.8	75%	0.754	82%	0.822	S	S	*	*			trans	-92.1	151.1	-172.3	-53.8	-34.5	0	0	0	112.1
1266	H	29	Very low	27.8	Very low	163 Å²	163	153.7 Å²	153.7	76%	0.755	81%	0.806	S	S	*	*				173	123.7	114.3	-94	79.1	0	0	0	114.2
1267	Y	24.1	Very low	27.9	Very low	205 Å²	205	158.2 Å²	158.2	80%	0.804	81%	0.809	S	S	*	*			trans	47.4	152.2	134	-79.1	-90.5	0	0	0	125.9
1268	K	26.6	Very low	27.6	Very low	190 Å²	190	153.1 Å²	153.1	83%	0.826	80%	0.801	S	S	*	*			trans	73.5	127	171.7	-62.5	177.6	-178.9	179.2	0	114.6
1269	C	22.7	Very low	27.7	Very low	119 Å²	119	151.1 Å²	151.1	80%	0.804	80%	0.799	S	S	*	*			cis	74.9	95.4	31.2	-51.1	0	0	0	0	115.3
1270	I	27.3	Very low	27.3	Very low	167 Å²	167	149.1 Å²	149.1	86%	0.856	79%	0.788	S	S	*	*			trans	-135.6	145.8	137.2	-67.5	-171.3	0	0	0	107.3
1271	S	23.4	Very low	27.2	Very low	105 Å²	105	145.9 Å²	145.9	73%	0.734	78%	0.781	S	S	*	*			trans	-127.4	145.3	174	50.1	0	0	0	0	110.2
1272	I	25.9	Very low	27.2	Very low	164 Å²	164	149.7 Å²	149.7	84%	0.841	78%	0.783	S	S	*	*			trans	-141	129.4	161	-59.2	-175.1	0	0	0	109.4
1273	V	23.5	Very low	27.1	Very low	126 Å²	126	146.1 Å²	146.1	76%	0.764	77%	0.774	S	S	*	*			trans	-165.5	156.4	-173.7	174.5	0	0	0	0	105.3
1274	P	39.8	Very low	27.2	Very low	110 Å²	110	146.3 Å²	146.3	71%	0.714	77%	0.774	S	S	*	*			cis	-126.2	-165.9	-25.4	39.6	-22.6	0	0	0	112.6
1275	K	28.4	Very low	27.2	Very low	189 Å²	189	146 Å²	146	82%	0.822	77%	0.773	S	S	*	*				-179.3	131.7	122.8	-92.7	-179.3	179.1	-172.8	0	107.8
1276	S	27	Very low	27.8	Very low	88 Å²	88	144.1 Å²	144.1	62%	0.615	76%	0.762	S	S	*	*				57.9	136.2	73.7	85.7	0	0	0	0	112.9
1277	E	27.5	Very low	28.1	Very low	162 Å²	162	144.7 Å²	144.7	76%	0.757	77%	0.765	S	S	*	*			cis	-164.8	156.3	14.3	-142.3	154.3	-132.2	0	0	110.4
1278	N	24.9	Very low	28.7	Very low	141 Å²	141	142.2 Å²	142.2	75%	0.754	76%	0.761	S	S	*	*			trans	52.8	156.7	164.4	-59	-6.6	0	0	0	118.9
1279	D	29	Very low	29.2	Very low	157 Å²	157	138 Å²	138	84%	0.84	74%	0.744	S	S	*	*			cis	-146.6	-161.1	31.2	-117.9	-30.2	0	0	0	113.6
1280	S	24.7	Very low	30	Very low	87 Å²	87	141 Å²	141	61%	0.608	74%	0.739	S	S	*	*			trans	-95.9	172.9	-163	67.1	0	0	0	0	118.3
1281	D	25.6	Very low	30.5	Very low	138 Å²	138	139.2 Å²	139.2	74%	0.738	73%	0.725	S	S	*	*			trans	64.5	119.2	156.2	-52.7	-50	0	0	0	121
1282	L	29.3	Very low	31.3	Very low	155 Å²	155	141.1 Å²	141.1	81%	0.812	72%	0.716	S	S	*	*				170.2	135.2	111.6	-87.4	162.7	0	0	0	112.6
1283	L	27.9	Very low	32	Very low	139 Å²	139	138.9 Å²	138.9	73%	0.728	70%	0.7	S	S	*	*			trans	36.9	117.6	150.5	-57.1	168.5	0	0	0	119
1284	E	29.9	Very low	32.8	Very low	183 Å²	183	137.1 Å²	137.1	86%	0.855	68%	0.683	S	S	*	*				46.2	69.7	67.8	-67.2	-158.9	144.9	0	0	116.1
1285	T	29.8	Very low	32.9	Very low	138 Å²	138	137 Å²	137	85%	0.847	67%	0.673	S	S	*	*			trans	-172.5	102.9	139.6	39.8	0	0	0	0	111.1
1286	D	36.4	Very low	33.8	Very low	100 Å²	100	133.6 Å²	133.6	54%	0.535	66%	0.657	S	S	.	*	S	Bend	trans	-167.5	-18.5	157	-147.5	21.4	0	0	0	115.4	R1290	D1286-R1290 IonicContact OD2-CZ 3.72Å; D1286-R1290 IonicContact OD2-NH2 3.08Å; D1286-R1290 PolarHBondContact OD2-NH2 2.82Å
1287	E	36.4	Very low	34.6	Very low	175 Å²	175	134.4 Å²	134.4	82%	0.818	65%	0.65	S	S	*	*	H	α-helix	trans	-76.4	-31.2	-174.7	-67.9	-146.4	125.9	0	0	114.8	K1291	E1287-K1291 PolarHBondContact O-N 2.78Å
1288	E	35.9	Very low	35.4	Very low	154 Å²	154	128.3 Å²	128.3	72%	0.72	62%	0.624	S	S	*	*	H	α-helix	trans	-72.8	-35.6	-176	-61.4	-147.5	121.3	0	0	113.4	R1290 K1291 W1292	E1288-R1290 VanDerWaalsContact C-N 3.27Å; E1288-R1290 PolarHBondContact O-N 3.05Å; E1288-K1291 WeakPolarHBondContact O-CA 3.32Å; E1288-K1291 VanDerWaalsContact O-CB 3.25Å; E1288-K1291 WeakPolarHBondContact O-CB 3.21Å; E1288-K1291 PolarHBondContact O-N 2.89Å; E1288-W1292 PolarHBondContact O-N 3.03Å
1289	E	38.5	Very low	36.4	Very low	101 Å²	101	127.3 Å²	127.3	47%	0.472	62%	0.615	S	S	.	*	H	α-helix	trans	-64	-34.8	179	-127.5	-99.1	121.6	0	0	111.3	K1293	E1289-K1293 WeakPolarHBondContact O-CB 3.43Å; E1289-K1293 WeakPolarHBondContact O-CG 3.31Å; E1289-K1293 PolarHBondContact O-N 2.76Å; E1289-K1293 WeakPolarHBondContact OE1-CE 3.41Å; E1289-K1293 IonicContact OE1-NZ 3.85Å; E1289-K1293 PolarHBondContact OE1-NZ 3.06Å; E1289-K1293 IonicContact OE2-NZ 2.72Å; E1289-K1293 PolarHBondContact OE2-NZ 3.24Å
1290	R	39.1	Very low	37.2	Very low	182 Å²	182	125.6 Å²	125.6	69%	0.687	60%	0.596	S	S	*	*	H	α-helix	trans	-69.8	-32.2	171.6	-69.7	-178.6	-179.7	170.9	7.9	112.7	D1286 E1288 F1294	D1286-R1290 IonicContact OD2-CZ 3.72Å; D1286-R1290 IonicContact OD2-NH2 3.08Å; D1286-R1290 PolarHBondContact OD2-NH2 2.82Å; E1288-R1290 VanDerWaalsContact C-N 3.27Å; E1288-R1290 PolarHBondContact O-N 3.05Å; R1290-F1294 PolarHBondContact O-N 2.75Å
1291	K	37.8	Very low	38	Very low	129 Å²	129	122 Å²	122	56%	0.561	57%	0.57	S	S	*	*	H	α-helix	trans	-70.9	-49.6	177.8	-146.8	174.4	-176.8	-179.3	0	111	E1287 E1288 K1293 F1294 E1295	E1287-K1291 PolarHBondContact O-N 2.78Å; E1288-K1291 WeakPolarHBondContact O-CA 3.32Å; E1288-K1291 VanDerWaalsContact O-CB 3.25Å; E1288-K1291 WeakPolarHBondContact O-CB 3.21Å; E1288-K1291 PolarHBondContact O-N 2.89Å; K1291-K1293 PolarHBondContact O-N 2.79Å; K1291-F1294 WeakPolarHBondContact O-CA 3.37Å; K1291-F1294 WeakPolarHBondContact O-CB 3.24Å; K1291-F1294 PolarHBondContact O-N 3.44Å; K1291-E1295 PolarHBondContact O-N 3.27Å
1292	W	39.5	Very low	38.9	Very low	145 Å²	145	121.5 Å²	121.5	55%	0.549	56%	0.561	S	S	.	*	H	α-helix	trans	-63.4	-40.5	179.3	-163.2	66.6	0	0	0	112.9	E1288 F1294 E1295 K1296	E1288-W1292 PolarHBondContact O-N 3.03Å; W1292-F1294 PolarHBondContact O-N 2.69Å; W1292-E1295 PolarHBondContact O-N 2.92Å; W1292-K1296 HydrophobicContact CH2-CD 4.38Å; W1292-K1296 HydrophobicContact CZ2-CD 4.21Å; W1292-K1296 PolarHBondContact O-N 3.13Å; W1292-K1296 VanDerWaalsContact O-N 3.08Å
1293	K	40.9	Very low	39.6	Very low	118 Å²	118	116.7 Å²	116.7	51%	0.513	54%	0.54	S	S	.	.	H	α-helix	trans	-65.9	-19.6	172.8	-77.1	168.6	171.9	160.6	0	113.5	E1289 K1291	E1289-K1293 WeakPolarHBondContact O-CB 3.43Å; E1289-K1293 WeakPolarHBondContact O-CG 3.31Å; E1289-K1293 PolarHBondContact O-N 2.76Å; E1289-K1293 WeakPolarHBondContact OE1-CE 3.41Å; E1289-K1293 IonicContact OE1-NZ 3.85Å; E1289-K1293 PolarHBondContact OE1-NZ 3.06Å; E1289-K1293 IonicContact OE2-NZ 2.72Å; E1289-K1293 PolarHBondContact OE2-NZ 3.24Å; K1291-K1293 PolarHBondContact O-N 2.79Å
1294	F	41.5	Very low	40.2	Very low	89 Å²	89	114.1 Å²	114.1	39%	0.39	52%	0.522	S	S	.	.	H	α-helix	trans	-85.8	-40.3	172.8	-168.3	-100	0	0	0	111.7	V77 R1290 K1291 W1292 K1297 T1298	V77-F1294 HydrophobicContact CG1-CE2 4.04Å; R1290-F1294 PolarHBondContact O-N 2.75Å; K1291-F1294 WeakPolarHBondContact O-CA 3.37Å; K1291-F1294 WeakPolarHBondContact O-CB 3.24Å; K1291-F1294 PolarHBondContact O-N 3.44Å; W1292-F1294 PolarHBondContact O-N 2.69Å; F1294-K1297 PolarHBondContact O-N 3.12Å; F1294-T1298 PolarHBondContact O-N 3.12Å; F1294-T1298 VanDerWaalsContact O-N 3.1Å; F1294-T1298 PolarHBondContact O-OG1 3.1Å
1295	E	42	Very low	40.5	Very low	108 Å²	108	107.4 Å²	107.4	51%	0.505	49%	0.491	S	S	.	.	H	α-helix	trans	-66.4	-47.4	179.9	-71.9	174.9	156.7	0	0	111.9	K1291 W1292 K1297 T1298 E1299	K1291-E1295 PolarHBondContact O-N 3.27Å; W1292-E1295 PolarHBondContact O-N 2.92Å; E1295-K1297 VanDerWaalsContact C-N 3.27Å; E1295-K1297 PolarHBondContact O-N 3.15Å; E1295-T1298 CarbonylContact O-C 3.38Å; E1295-T1298 WeakPolarHBondContact O-CA 3.49Å; E1295-T1298 WeakPolarHBondContact O-CB 3.4Å; E1295-T1298 PolarHBondContact O-N 3.37Å; E1295-E1299 PolarHBondContact O-N 3.07Å
1296	K	46.6	Very low	40.8	Very low	116 Å²	116	109.9 Å²	109.9	50%	0.504	49%	0.486	S	S	.	.	H	α-helix	trans	-61.3	-29.3	175.2	-93.6	-178.2	170.7	174.7	0	114.4	W1292 T1298	W1292-K1296 HydrophobicContact CH2-CD 4.38Å; W1292-K1296 HydrophobicContact CZ2-CD 4.21Å; W1292-K1296 PolarHBondContact O-N 3.13Å; W1292-K1296 VanDerWaalsContact O-N 3.08Å; K1296-T1298 VanDerWaalsContact C-N 3.35Å
1297	K	43.8	Very low	40.6	Very low	105 Å²	105	113.8 Å²	113.8	46%	0.457	50%	0.499	S	S	.	.	H	α-helix	trans	-71.7	-31	169.9	-81.8	-169.2	174.2	-172.6	0	112.1	V77 F1294 E1295	V77-K1297 HydrophobicContact CG2-CB 4Å; F1294-K1297 PolarHBondContact O-N 3.12Å; E1295-K1297 VanDerWaalsContact C-N 3.27Å; E1295-K1297 PolarHBondContact O-N 3.15Å
1298	T	44.3	Very low	40.4	Very low	35 Å²	35	108.2 Å²	108.2	22%	0.215	48%	0.479	C	S	.	.	H	α-helix	trans	-77.4	-26.2	-179.5	-51	0	0	0	0	112.5	F1294 E1295 K1296 Y1301 K1302	F1294-T1298 PolarHBondContact O-N 3.12Å; F1294-T1298 VanDerWaalsContact O-N 3.1Å; F1294-T1298 PolarHBondContact O-OG1 3.1Å; E1295-T1298 CarbonylContact O-C 3.38Å; E1295-T1298 WeakPolarHBondContact O-CA 3.49Å; E1295-T1298 WeakPolarHBondContact O-CB 3.4Å; E1295-T1298 PolarHBondContact O-N 3.37Å; K1296-T1298 VanDerWaalsContact C-N 3.35Å; T1298-Y1301 VanDerWaalsContact O-CB 3.24Å; T1298-Y1301 WeakPolarHBondContact O-CB 3.36Å; T1298-Y1301 PolarHBondContact O-N 3.31Å; T1298-K1302 PolarHBondContact O-N 3.43Å; T1298-K1302 VanDerWaalsContact O-N 3.13Å
1299	E	45.7	Very low	39.9	Very low	119 Å²	119	104.9 Å²	104.9	56%	0.556	47%	0.473	S	S	*	.	H	α-helix	trans	-68.1	-40.4	174.3	-67.5	-169	121.8	0	0	113.1	E1295 Y1301 K1302 S1303	E1295-E1299 PolarHBondContact O-N 3.07Å; E1299-Y1301 PolarHBondContact O-N 3.33Å; E1299-K1302 WeakPolarHBondContact O-CB 3.41Å; E1299-K1302 PolarHBondContact O-N 2.88Å; E1299-K1302 VanDerWaalsContact O-N 3.14Å; E1299-S1303 PolarHBondContact O-N 3.15Å
1300	R	45	Very low	39.2	Very low	121 Å²	121	107.2 Å²	107.2	46%	0.457	48%	0.484	S	S	.	.	H	α-helix	trans	-55.9	-41.8	170	-93.7	-177.3	171.3	171.8	-4.7	111.6	Y28 K1302 S1303 Y1304	Y28-R1300 VanDerWaalsContact CE2-NH1 3.34Å; Y28-R1300 PolarHBondContact OH-NH1 3.43Å; R1300-K1302 PolarHBondContact O-N 3.15Å; R1300-S1303 PolarHBondContact O-N 3.44Å; R1300-S1303 PolarHBondContact O-OG 3.08Å; R1300-Y1304 PolarHBondContact O-N 2.97Å; R1300-Y1304 VanDerWaalsContact O-N 3.13Å
1301	Y	42.5	Very low	38.6	Very low	12 Å²	12	104.2 Å²	104.2	5%	0.047	49%	0.488	C	S	.	.	H	α-helix	trans	-57.9	-46.2	175.3	-159.6	-91.8	0	0	0	112.6	L101 N142 V153 Q156 T1298 E1299 S1303 Y1304 L1305	L101-Y1301 HydrophobicContact CD1-CD2 3.58Å; L101-Y1301 HydrophobicContact CD1-CE2 3.64Å; L101-Y1301 HydrophobicContact CD1-CG 4.46Å; L101-Y1301 HydrophobicContact CD2-CE2 4.3Å; L101-Y1301 HydrophobicContact CG-CE2 4.34Å; N142-Y1301 WeakPolarHBondContact CB-OH 3.43Å; N142-Y1301 PolarHBondContact ND2-OH 2.9Å; V153-Y1301 HydrophobicContact CB-CE1 4.47Å; V153-Y1301 HydrophobicContact CG1-CD2 3.96Å; V153-Y1301 HydrophobicContact CG1-CE1 4.2Å; V153-Y1301 HydrophobicContact CG1-CE2 3.59Å; V153-Y1301 HydrophobicContact CG1-CG 4.44Å; V153-Y1301 HydrophobicContact CG2-CD1 3.76Å; V153-Y1301 HydrophobicContact CG2-CE1 3.66Å; V153-Y1301 HydrophobicContact CG2-CE2 4.48Å; V153-Y1301 HydrophobicContact CG2-CG 4.23Å; Q156-Y1301 PolarHBondContact OE1-OH 2.9Å; T1298-Y1301 VanDerWaalsContact O-CB 3.24Å; T1298-Y1301 WeakPolarHBondContact O-CB 3.36Å; T1298-Y1301 PolarHBondContact O-N 3.31Å; E1299-Y1301 PolarHBondContact O-N 3.33Å; Y1301-S1303 PolarHBondContact O-N 3.05Å; Y1301-Y1304 PolarHBondContact O-N 2.94Å; Y1301-L1305 HydrophobicContact CD1-CD1 3.93Å; Y1301-L1305 HydrophobicContact CE1-CD1 3.77Å; Y1301-L1305 HydrophobicContact CE1-CG 4.44Å; Y1301-L1305 PolarHBondContact O-N 3.15Å
1302	K	43.5	Very low	38	Very low	127 Å²	127	106.3 Å²	106.3	55%	0.552	50%	0.497	S	S	*	.	H	α-helix	trans	-59.8	-44.5	174.4	-68.1	177.3	-178.7	174.7	0	111.8	T1298 E1299 R1300 Y1304 L1305 Y1306	T1298-K1302 PolarHBondContact O-N 3.43Å; T1298-K1302 VanDerWaalsContact O-N 3.13Å; E1299-K1302 WeakPolarHBondContact O-CB 3.41Å; E1299-K1302 PolarHBondContact O-N 2.88Å; E1299-K1302 VanDerWaalsContact O-N 3.14Å; R1300-K1302 PolarHBondContact O-N 3.15Å; K1302-Y1304 VanDerWaalsContact C-N 3.3Å; K1302-Y1304 PolarHBondContact O-N 2.99Å; K1302-L1305 PolarHBondContact O-N 2.8Å; K1302-Y1306 PolarHBondContact O-N 3.15Å; K1302-Y1306 VanDerWaalsContact O-N 3.13Å
1303	S	43.8	Very low	37.2	Very low	54 Å²	54	103.1 Å²	103.1	38%	0.378	50%	0.501	S	S	.	.	H	α-helix	trans	-60.6	-37.1	-179.3	77.4	0	0	0	0	113	E1299 R1300 Y1301 K1307	E1299-S1303 PolarHBondContact O-N 3.15Å; R1300-S1303 PolarHBondContact O-N 3.44Å; R1300-S1303 PolarHBondContact O-OG 3.08Å; Y1301-S1303 PolarHBondContact O-N 3.05Å; S1303-K1307 WeakPolarHBondContact O-CB 3.44Å; S1303-K1307 WeakPolarHBondContact O-CG 3.43Å; S1303-K1307 PolarHBondContact O-N 3.35Å
1304	Y	40.6	Very low	36.4	Very low	86 Å²	86	108.3 Å²	108.3	34%	0.337	54%	0.535	S	S	.	.	H	α-helix	trans	-72.5	-35.9	176.5	-93.4	-57.2	0	0	0	114.1	D102 R1300 Y1301 K1302	D102-Y1304 WeakPolarHBondContact OD1-CE2 3.43Å; D102-Y1304 PolarHBondContact OD1-OH 3.06Å; R1300-Y1304 PolarHBondContact O-N 2.97Å; R1300-Y1304 VanDerWaalsContact O-N 3.13Å; Y1301-Y1304 PolarHBondContact O-N 2.94Å; K1302-Y1304 VanDerWaalsContact C-N 3.3Å; K1302-Y1304 PolarHBondContact O-N 2.99Å
1305	L	37	Very low	36.2	Very low	41 Å²	41	109.3 Å²	109.3	22%	0.215	54%	0.542	C	S	.	.	H	α-helix	trans	-64.4	-43.5	174	-73.3	171.7	0	0	0	111.3	K143 Y1301 K1302 S1308	K143-L1305 HydrophobicContact CB-CD2 4.24Å; Y1301-L1305 HydrophobicContact CD1-CD1 3.93Å; Y1301-L1305 HydrophobicContact CE1-CD1 3.77Å; Y1301-L1305 HydrophobicContact CE1-CG 4.44Å; Y1301-L1305 PolarHBondContact O-N 3.15Å; K1302-L1305 PolarHBondContact O-N 2.8Å; L1305-S1308 PolarHBondContact O-OG 3.5Å
1306	Y	36.2	Very low	35.9	Very low	191 Å²	191	109.4 Å²	109.4	75%	0.749	54%	0.544	S	S	*	.	H	α-helix	trans	-72	-33.7	179.9	-88.4	-90.3	0	0	0	114.2	K1302 S1308 S1309	K1302-Y1306 PolarHBondContact O-N 3.15Å; K1302-Y1306 VanDerWaalsContact O-N 3.13Å; Y1306-S1308 PolarHBondContact O-N 3.09Å; Y1306-S1309 PolarHBondContact O-OG 2.74Å
1307	K	32.5	Very low	35.3	Very low	182 Å²	182	109 Å²	109	79%	0.791	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	21.6	178	-75	-171.9	172.3	-171.4	0	115.1	S1303	S1303-K1307 WeakPolarHBondContact O-CB 3.44Å; S1303-K1307 WeakPolarHBondContact O-CG 3.43Å; S1303-K1307 PolarHBondContact O-N 3.35Å
1308	S	30.8	Very low	34.8	Very low	58 Å²	58	109.2 Å²	109.2	41%	0.406	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-121.7	21.1	179.2	68.9	0	0	0	0	113.5	K143 L1305 Y1306	K143-S1308 PolarHBondContact NZ-O 2.86Å; K143-S1308 PolarHBondContact NZ-OG 3.39Å; L1305-S1308 PolarHBondContact O-OG 3.5Å; Y1306-S1308 PolarHBondContact O-N 3.09Å
1309	S	26.5	Very low	34.2	Very low	84 Å²	84	113.9 Å²	113.9	59%	0.587	57%	0.573	S	S	*	*	S	Bend	trans	-147.5	35.9	-178.7	43	0	0	0	0	113.9	Y1306	Y1306-S1309 PolarHBondContact O-OG 2.74Å
1310	Q	24.3	Very low	33.4	Very low	150 Å²	150	113.5 Å²	113.5	70%	0.701	57%	0.574	S	S	*	*			trans	-134.4	138.8	154.4	-72.9	-177.2	-52.9	0	0	105.6
1311	P	26.6	Very low	32.6	Very low	119 Å²	119	113 Å²	113	77%	0.773	58%	0.582	S	S	*	*				-138.4	93.8	79.6	35.5	-18.5	0	0	0	112.9
1312	F	24.9	Very low	31.8	Very low	172 Å²	172	120.8 Å²	120.8	75%	0.754	62%	0.624	S	S	*	*			trans	-147	97.8	153.9	-85.3	-67.9	0	0	0	106.9
1313	A	23.3	Very low	30.8	Very low	78 Å²	78	120.3 Å²	120.3	65%	0.645	63%	0.63	S	S	*	*			trans	-152.2	41.1	175.3	0	0	0	0	0	108.5
1314	D	23.6	Very low	29.7	Very low	228 Å²	228	126.3 Å²	126.3	100%	1.219	65%	0.652	S	S	*	*			trans	-172.5	0	161.9	-86.9	-25.5	0	0	0	105.6

Retrieved 1,314 of 1,314 residues in 1273.2 ms (Link to these results)

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