A0A096NHY0_PAPAN Loading...

Polyserase-2

Serine protease. Has a preference for substrates with an Arg instead of a Lys residue in position P1. Serine protease. Hydrolyzes the peptides N-t-Boc-Gln-Ala-Arg-AMC and N-t-Boc-Gln-Gly-Arg-AMC and, to a lesser extent, N-t-Boc-Ala-Phe-Lys-AMC and N-t-Boc-Val-Leu-Lys-AMC. Has a preference for substrates with an Arg instead of a Lys residue in position P1.

AlphaFold DB , UniProt , Accession A0A096NHY0, Species PAPAN (Papio anubis, Olive baboon), Gene PRSS36, Length 854 aa.

						>A0A096NHY0_PAPAN|A0A096NHY0|PRSS36
MARHLLLPVVMLVISPIPGAFQDSALSPTQEEPEDLDCGRSEPSARIVGGSDAQPGTWPWQVSLHHGGGHICGGSLIAPSWVLSAAHCFMTNGTLEPAAEWSVLLGVHSQDGPLDGAHTRAVAAIVVPVNYSQVELGADLALLHLASPASLGPAVRPVCLPRASHRFVHGTACWATGWGDVQEADPLPLPWVLQEVELRLLGEATCQCLYSQPGPFNLTLQILPGMLCAGYPEGRRDTCQGDSGGPLVCEEGGRWFQAGITSFGFGCGRRNRPGVFTAVATYEAWIREQVMGSEPGPAFPTQPQKPQSDPQESRENCTIALPECGKAPRPGAWPWEAQVMVPGSRPCHGALVSESWVLAPASCFPHPSSSDSPPRDLDAWRVLLPSRPRAERVARLVHHDNASWDDASDLALLQLRTPVNLSAAPRPVCLPHPEHYFLPGSRCRLARWGRGEPALGPGALLEAELLGGWWCHCLYGRQGAAVPLPGDPPHALCPAYQEEEEAGHCWNDSHWSLLCQEEGTWFLAGIRDFPSGCLRPRAFFPVQTHGPWISHVTQGAYLEDQLTWDWGPDGEETETQTCPTHTQHGACGLRPEAAPVGVLWPWLAEVHVAGDRVCTGILLAPGWVLAATHCVLRPGSTTVPYIEVYLGRAGASPLPQGHQVSRLVISIRLPRHLGLRPPLALLELSSRVEPSPSALPICLHPAGIPPGASCWVLGWKEPQDRVPVAAAVSILTPRICHCLYQGILPPGTLCVLYAEGQENRCEMTSAPPLLCQTTEGSWVLVGMAVQGSRELFAAIGPEEAWISQTVGEAHFLPSSGSPHWPTGGSNLCPPELAKASGSPRAVHFLLLLTLLIQS
					

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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	40.8	Very low	34.3	Very low	250 Å²	250	161.8 Å²	161.8	100%	1.232	86%	0.855	S	S	*	*				0	118	0	-63.1	174.7	-173.6	0	0	108.5
2	A	32.8	Very low	33.8	Very low	105 Å²	105	159.9 Å²	159.9	87%	0.868	85%	0.845	S	S	*	*			trans	-157.3	129.1	165.4	0	0	0	0	0	107.9
3	R	36.6	Very low	33.4	Very low	235 Å²	235	156.8 Å²	156.8	89%	0.887	84%	0.835	S	S	*	*			trans	-93.9	130.5	172.7	-76.9	172.1	162.9	172.7	-7.3	108.4
4	H	34.7	Very low	33.1	Very low	202 Å²	202	157.1 Å²	157.1	94%	0.935	83%	0.834	S	S	*	*			trans	-140.7	137.9	141.1	-83.6	-67.2	0	0	0	109
5	L	38.5	Very low	32.7	Very low	157 Å²	157	153.7 Å²	153.7	82%	0.822	83%	0.828	S	S	*	*			trans	-154.1	122.2	-170.1	-153.7	176.7	0	0	0	106.2
6	L	33.8	Very low	33.3	Very low	165 Å²	165	150.4 Å²	150.4	86%	0.864	82%	0.817	S	S	*	*			trans	159.5	116.4	148.9	-87.6	161.4	0	0	0	110.4
7	L	30.7	Very low	33.3	Very low	143 Å²	143	150.9 Å²	150.9	75%	0.749	82%	0.817	S	S	*	*			trans	-88.3	162.6	156.2	-115.9	97.4	0	0	0	108.8	V9	L7-V9 HydrophobicContact CD2-CB 4.26Å; L7-V9 HydrophobicContact CD2-CG2 3.85Å
8	P	37.8	Very low	33.6	Very low	122 Å²	122	149.4 Å²	149.4	79%	0.792	82%	0.817	S	S	*	*				-143	156.4	100.6	36.6	-22.5	0	0	0	114.9
9	V	33.1	Very low	33.3	Very low	127 Å²	127	145.7 Å²	145.7	77%	0.77	82%	0.817	S	S	*	*			trans	-139.4	121.9	174.8	168.1	0	0	0	0	110.8	L7	L7-V9 HydrophobicContact CD2-CB 4.26Å; L7-V9 HydrophobicContact CD2-CG2 3.85Å
10	V	30.8	Very low	33.3	Very low	124 Å²	124	143.3 Å²	143.3	75%	0.752	82%	0.816	S	S	*	*			trans	-164.7	137.7	179.7	177.8	0	0	0	0	105.9
11	M	27.4	Very low	33.1	Very low	150 Å²	150	146 Å²	146	74%	0.739	82%	0.819	S	S	*	*			cis	-134.6	172.1	-5.8	-105.7	-18.1	-175.4	0	0	107.7
12	L	28.3	Very low	32.8	Very low	139 Å²	139	142.7 Å²	142.7	73%	0.728	80%	0.801	S	S	*	*				51	134.5	67.9	-86.7	170.5	0	0	0	113.8
13	V	28.3	Very low	32.7	Very low	119 Å²	119	145 Å²	145	72%	0.721	80%	0.798	S	S	*	*			cis	-151.3	164.3	20	-167.2	0	0	0	0	110.8
14	I	29.6	Very low	32.7	Very low	161 Å²	161	139.5 Å²	139.5	83%	0.826	80%	0.796	S	S	*	*			trans	144	144.8	138.9	-72.5	164.1	0	0	0	113.9
15	S	27.8	Very low	32.6	Very low	106 Å²	106	134.5 Å²	134.5	74%	0.741	79%	0.79	S	S	*	*			trans	-122.5	-157	-178.7	-39.9	0	0	0	0	110
16	P	42.1	Very low	32.6	Very low	101 Å²	101	135.8 Å²	135.8	66%	0.656	80%	0.796	S	S	*	*			cis	-136.7	167.9	-23.5	38.5	-21.5	0	0	0	115.8
17	I	33.3	Very low	32.4	Very low	159 Å²	159	132.7 Å²	132.7	82%	0.815	79%	0.788	S	S	*	*			trans	65.4	161.3	147.1	-71.4	164.4	0	0	0	117.4
18	P	37.8	Very low	32.6	Very low	124 Å²	124	131.2 Å²	131.2	81%	0.805	79%	0.787	S	S	*	*			cis	-114.2	172.6	-13.7	35	-20.6	0	0	0	114.2
19	G	29.1	Very low	32.3	Very low	79 Å²	79	131.4 Å²	131.4	81%	0.814	79%	0.787	S	S	*	*			trans	-161.5	109.8	162.1	0	0	0	0	0	111
20	A	32.6	Very low	32.3	Very low	97 Å²	97	134.1 Å²	134.1	80%	0.802	79%	0.791	S	S	*	*			trans	-96.3	135.1	-179.8	0	0	0	0	0	111
21	F	30.3	Very low	32.4	Very low	202 Å²	202	136.8 Å²	136.8	89%	0.886	80%	0.795	S	S	*	*			trans	-131.6	121.1	157.6	-107.7	-92.2	0	0	0	108.5
22	Q	34.2	Very low	32.9	Very low	180 Å²	180	137.6 Å²	137.6	84%	0.841	80%	0.797	S	S	*	*			trans	-87	131.4	161	-64.2	171.8	-88.3	0	0	106.7
23	D	30.4	Very low	33.6	Very low	154 Å²	154	135.8 Å²	135.8	82%	0.824	79%	0.794	S	S	*	*			trans	-134.6	134.1	153.1	-112.5	-42.9	0	0	0	108.6
24	S	36.5	Very low	34.3	Very low	119 Å²	119	139.6 Å²	139.6	83%	0.832	80%	0.803	S	S	*	*			trans	-101.7	92.4	-172.8	-64	0	0	0	0	110.2
25	A	32.8	Very low	35.6	Very low	97 Å²	97	135.9 Å²	135.9	80%	0.802	79%	0.786	S	S	*	*			trans	-104.8	103.8	171	0	0	0	0	0	110.2	S27	A25-S27 VanDerWaalsContact C-N 3.31Å; A25-S27 PolarHBondContact O-N 2.88Å
26	L	37.8	Very low	37.6	Very low	183 Å²	183	132.1 Å²	132.1	96%	0.958	76%	0.757	S	S	*	*			trans	-68.7	90.4	163.2	-81.5	150.6	0	0	0	108.4
27	S	29.7	Very low	39.6	Very low	101 Å²	101	131.2 Å²	131.2	71%	0.706	75%	0.746	S	S	*	*			trans	-72.9	134.5	162.5	-166.7	0	0	0	0	108.1	A25 T29	A25-S27 VanDerWaalsContact C-N 3.31Å; A25-S27 PolarHBondContact O-N 2.88Å; S27-T29 PolarHBondContact O-N 3.14Å
28	P	34.4	Very low	42.4	Very low	111 Å²	111	123.6 Å²	123.6	72%	0.721	71%	0.708	S	S	*	*			trans	-62	133	172.5	27.4	-33.6	0	0	0	108.9	Q30	P28-Q30 PolarHBondContact O-N 3.31Å; P28-Q30 VanDerWaalsContact O-N 3.08Å
29	T	32.1	Very low	45	Very low	127 Å²	127	117.7 Å²	117.7	78%	0.779	67%	0.669	S	S	*	*			trans	-63.4	108.2	161	42.4	0	0	0	0	107.2	S27 E31	S27-T29 PolarHBondContact O-N 3.14Å; T29-E31 PolarHBondContact O-N 2.97Å; T29-E31 VanDerWaalsContact O-N 3.16Å
30	Q	32.6	Very low	48	Very low	183 Å²	183	118 Å²	118	86%	0.855	65%	0.646	S	S	*	*			trans	-61.4	113.4	151.4	-68.7	-175.3	-98.7	0	0	105.6	P28 E32	P28-Q30 PolarHBondContact O-N 3.31Å; P28-Q30 VanDerWaalsContact O-N 3.08Å; Q30-E32 PolarHBondContact O-N 2.87Å
31	E	33.2	Very low	50.3	Low	180 Å²	180	115.2 Å²	115.2	84%	0.841	62%	0.62	S	S	*	*			trans	-62.3	114.7	160.3	-66.6	173.1	143.5	0	0	105.3	T29	T29-E31 PolarHBondContact O-N 2.97Å; T29-E31 VanDerWaalsContact O-N 3.16Å
32	E	37.6	Very low	52.5	Low	167 Å²	167	110 Å²	110	78%	0.78	60%	0.598	S	S	*	*			trans	-59.3	133.9	165.6	-72.1	-172.9	118.6	0	0	106.7	Q30	Q30-E32 PolarHBondContact O-N 2.87Å
33	P	42.7	Very low	53.6	Low	102 Å²	102	107.3 Å²	107.3	66%	0.662	60%	0.597	S	S	*	*			trans	-57.5	146.7	179.1	25.9	-34.5	0	0	0	109.6	D35	P33-D35 PolarHBondContact O-N 3.11Å
34	E	44.1	Very low	54.9	Low	198 Å²	198	102.2 Å²	102.2	93%	0.925	57%	0.573	S	S	*	*			trans	-53.6	104.6	-173.2	-65.5	-170	129.9	0	0	111	L36	E34-L36 PolarHBondContact O-N 3.28Å
35	D	56.3	Low	55.4	Low	84 Å²	84	100.6 Å²	100.6	45%	0.449	57%	0.567	S	S	.	*			trans	-61.5	108.5	-170.5	-175.4	58.3	0	0	0	110.3	P33 D37 R254	P33-D35 PolarHBondContact O-N 3.11Å; D35-D37 PolarHBondContact O-N 3.29Å; D35-D37 VanDerWaalsContact O-N 3.14Å; D35-R254 IonicContact OD2-CZ 3.66Å; D35-R254 IonicContact OD2-NH1 2.8Å; D35-R254 PolarHBondContact OD2-NH1 3.26Å; D35-R254 IonicContact OD2-NH2 3.87Å; D35-R254 PolarHBondContact OD2-NH2 3.44Å
36	L	70.2	Confident	56.1	Low	26 Å²	26	104 Å²	104	14%	0.136	56%	0.559	C	S	.	*			trans	-49.3	115.9	177	179	71.4	0	0	0	109.5	E34 C38 A78 P157 P295 G296 A298	E34-L36 PolarHBondContact O-N 3.28Å; L36-C38 VanDerWaalsContact C-N 3.26Å; L36-C38 WeakPolarHBondContact O-CB 3.34Å; L36-C38 PolarHBondContact O-N 2.94Å; L36-A78 HydrophobicContact CD2-CB 4.37Å; L36-P157 HydrophobicContact CD1-CG 4.13Å; L36-P157 HydrophobicContact CD2-CB 4.08Å; L36-P157 HydrophobicContact CD2-CG 3.67Å; L36-P157 HydrophobicContact CG-CG 3.68Å; L36-P295 HydrophobicContact CD1-CB 4.34Å; L36-P295 HydrophobicContact CD1-CG 4.07Å; L36-G296 WeakPolarHBondContact CD2-O 3.31Å; L36-A298 HydrophobicContact CB-CB 4.26Å
37	D	84.2	Confident	56.4	Low	82 Å²	82	101 Å²	101	44%	0.439	54%	0.543	S	S	.	.			trans	-68.9	83.9	-173.5	-171.1	46.6	0	0	0	111.4	D35 R40 R254	D35-D37 PolarHBondContact O-N 3.29Å; D35-D37 VanDerWaalsContact O-N 3.14Å; D37-R40 IonicContact OD1-CZ 3.93Å; D37-R40 IonicContact OD1-NE 3.54Å; D37-R40 PolarHBondContact OD1-NE 3.21Å; D37-R40 IonicContact OD1-NH2 3.01Å; D37-R40 PolarHBondContact OD1-NH2 2.77Å; D37-R40 WeakPolarHBondContact OD2-CG 3.16Å; D37-R40 IonicContact OD2-NE 2.8Å; D37-R254 IonicContact OD1-NH2 3.49Å
38	C	93.1	Very high	56.8	Low	0 Å²	0	100.1 Å²	100.1	0%	0	53%	0.533	C	S	.	.			trans	-91	162.6	-173.8	63.9	0	0	0	0	112.2	L36 R40 P157 C159 R254 A298	L36-C38 VanDerWaalsContact C-N 3.26Å; L36-C38 WeakPolarHBondContact O-CB 3.34Å; L36-C38 PolarHBondContact O-N 2.94Å; C38-R40 VanDerWaalsContact C-N 3.28Å; C38-R40 PolarHBondContact O-N 3.44Å; C38-P157 CarbonylContact C-O 3.53Å; C38-P157 VanDerWaalsContact CA-O 3.27Å; C38-P157 WeakPolarHBondContact CA-O 3.24Å; C38-P157 HydrophobicContact CB-CG 4.36Å; C38-C159 HydrophobicContact CB-CB 4.01Å; C38-C159 WeakPolarHBondContact CB-SG 3.38Å; C38-C159 PolarHBondContact O-SG 2.97Å; C38-C159 WeakPolarHBondContact SG-CA 3.29Å; C38-C159 WeakPolarHBondContact SG-CB 3.42Å; C38-C159 CovalentContact SG-SG 2.04Å; C38-C159 PolarHBondContact SG-SG 3.02Å; C38-R254 PolarHBondContact SG-NH1 3.4Å; C38-R254 VanDerWaalsContact SG-NH1 3.38Å; C38-A298 HydrophobicContact CB-CB 4.12Å; C38-A298 VanDerWaalsContact SG-CB 3.58Å
39	G	92.1	Very high	57.6	Low	0 Å²	0	95.6 Å²	95.6	0%	0	51%	0.507	C	S	.	.	S	Bend	trans	64.4	30.7	168.1	0	0	0	0	0	113.6	P157 R254 W255	G39-P157 PolarHBondContact N-O 3.21Å; G39-R254 WeakPolarHBondContact O-CA 3.31Å; G39-W255 WeakPolarHBondContact CA-O 3.29Å; G39-W255 PolarHBondContact O-N 2.79Å
40	R	90.4	Very high	59.2	Low	86 Å²	86	91.4 Å²	91.4	33%	0.325	49%	0.489	S	S	.	.			trans	-104	114.2	176.6	-55.2	-50.4	-166.8	157.2	13.6	111.1	D37 C38 P59 G253	D37-R40 IonicContact OD1-CZ 3.93Å; D37-R40 IonicContact OD1-NE 3.54Å; D37-R40 PolarHBondContact OD1-NE 3.21Å; D37-R40 IonicContact OD1-NH2 3.01Å; D37-R40 PolarHBondContact OD1-NH2 2.77Å; D37-R40 WeakPolarHBondContact OD2-CG 3.16Å; D37-R40 IonicContact OD2-NE 2.8Å; C38-R40 VanDerWaalsContact C-N 3.28Å; C38-R40 PolarHBondContact O-N 3.44Å; R40-P59 WeakPolarHBondContact O-CG 3.37Å; R40-G253 PolarHBondContact NH1-O 2.85Å; R40-G253 VanDerWaalsContact NH1-O 3.11Å
41	S	82.8	Confident	61.5	Low	37 Å²	37	84 Å²	84	26%	0.259	46%	0.458	S	S	.	.			trans	-98.2	159.9	168.7	62.2	0	0	0	0	110.8	T57 W255	S41-T57 WeakPolarHBondContact CB-O 3.15Å; S41-W255 PolarHBondContact OG-NE1 3.09Å
42	E	74.8	Confident	64.1	Low	92 Å²	92	79.9 Å²	79.9	43%	0.43	44%	0.441	S	S	.	.			trans	-73.2	155.2	158.4	-62.8	-58.1	145.9	0	0	110	S44 R156	E42-S44 PolarHBondContact O-N 3.41Å; E42-R156 IonicContact OE1-CZ 3.87Å; E42-R156 IonicContact OE1-NH2 3.72Å; E42-R156 PolarHBondContact OE1-NH2 2.86Å
43	P	58.3	Low	66.6	Low	125 Å²	125	71.9 Å²	71.9	81%	0.812	40%	0.404	S	S	*	.			trans	-80.5	109.3	-173	29.6	-34.1	0	0	0	113.3
44	S	56.4	Low	68.8	Low	46 Å²	46	72.2 Å²	72.2	32%	0.322	40%	0.397	S	S	.	.			trans	-90.8	157.8	175.6	-173.6	0	0	0	0	113.7	E42	E42-S44 PolarHBondContact O-N 3.41Å
45	A	47.8	Very low	70.8	Confident	86 Å²	86	67 Å²	67	71%	0.711	38%	0.38	S	S	*	.			trans	-91.1	108.1	174	0	0	0	0	0	110.3	I47	A45-I47 PolarHBondContact O-N 3.13Å
46	R	46.6	Very low	72.2	Confident	167 Å²	167	64.1 Å²	64.1	63%	0.63	37%	0.37	S	S	*	.			trans	-59.8	117.5	-170.9	-58	-177.9	-172.5	-151.1	-5.2	112.8	E250	R46-E250 IonicContact CZ-OE2 3.88Å; R46-E250 IonicContact NH1-OE2 3.72Å; R46-E250 IonicContact NH2-OE1 3.46Å; R46-E250 IonicContact NH2-OE2 2.87Å; R46-E250 PolarHBondContact NH2-OE2 3.01Å
47	I	44.8	Very low	73.1	Confident	121 Å²	121	63.3 Å²	63.3	62%	0.621	37%	0.366	S	S	*	.			trans	-112.7	156.5	164.5	-64.3	-179	0	0	0	107.5	A45 W174	A45-I47 PolarHBondContact O-N 3.13Å; I47-W174 WeakPolarHBondContact O-CH2 3.47Å
48	V	38.8	Very low	73.6	Confident	82 Å²	82	60 Å²	60	50%	0.497	35%	0.348	S	S	.	.			trans	-129.8	99.3	-166.2	-179.9	0	0	0	0	111.2	R236	V48-R236 VanDerWaalsContact CG1-NH1 3.34Å; V48-R236 PolarHBondContact O-NH2 2.8Å
49	G	50.8	Low	73.7	Confident	17 Å²	17	60.3 Å²	60.3	18%	0.175	35%	0.349	C	S	.	.	S	Bend	trans	163.4	176	-173.1	0	0	0	0	0	108.1
50	G	64.8	Low	74	Confident	39 Å²	39	60.3 Å²	60.3	40%	0.402	35%	0.349	S	S	.	.	S	Bend	trans	-72.9	130.2	162.3	0	0	0	0	0	108.9	E195	G50-E195 WeakPolarHBondContact CA-O 3.03Å
51	S	81.6	Confident	74.3	Confident	28 Å²	28	56.5 Å²	56.5	20%	0.196	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	163.5	-176.6	54.4	0	0	0	0	114	A53 Q194 E195	S51-A53 PolarHBondContact O-N 3Å; S51-A53 VanDerWaalsContact O-N 3.14Å; S51-Q194 WeakPolarHBondContact O-CA 3.47Å; S51-Q194 PolarHBondContact O-OE1 3.36Å; S51-E195 PolarHBondContact N-O 3.2Å; S51-E195 PolarHBondContact O-N 3.05Å
52	D	88.1	Confident	75	Confident	92 Å²	92	54.8 Å²	54.8	49%	0.492	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	112.3	171.9	-65.9	-24.6	0	0	0	112.2	Q54 V192 Q194	D52-Q54 PolarHBondContact O-NE2 3.16Å; D52-V192 HydrophobicContact CB-CG1 3.9Å; D52-Q194 PolarHBondContact OD1-NE2 3.14Å
53	A	89.2	Confident	76.1	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-63.1	145.7	175.2	0	0	0	0	0	111.2	S51 H108 L193 E195	S51-A53 PolarHBondContact O-N 3Å; S51-A53 VanDerWaalsContact O-N 3.14Å; A53-H108 PolarHBondContact O-CE1 2.84Å; A53-L193 HydrophobicContact CB-CB 4.36Å; A53-L193 HydrophobicContact CB-CD2 4.19Å; A53-L193 HydrophobicContact CB-CG 3.95Å; A53-L193 VanDerWaalsContact CB-O 3.26Å; A53-L193 WeakPolarHBondContact CB-O 3.45Å; A53-L193 PolarHBondContact N-O 3.19Å; A53-E195 VanDerWaalsContact CA-OE2 3.26Å; A53-E195 WeakPolarHBondContact CA-OE2 3.04Å; A53-E195 HydrophobicContact CB-CB 3.97Å; A53-E195 HydrophobicContact CB-CG 3.9Å; A53-E195 VanDerWaalsContact CB-OE2 3.26Å; A53-E195 WeakPolarHBondContact CB-OE2 3.11Å
54	Q	88.7	Confident	78	Confident	109 Å²	109	44.4 Å²	44.4	51%	0.509	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-77.1	142.3	176.1	-62.7	-58	-73.1	0	0	111.1	D52 G56 T57	D52-Q54 PolarHBondContact O-NE2 3.16Å; Q54-G56 PolarHBondContact O-N 3.26Å; Q54-T57 WeakPolarHBondContact CB-OG1 3.26Å; Q54-T57 WeakPolarHBondContact O-CB 3.45Å; Q54-T57 PolarHBondContact O-N 2.86Å; Q54-T57 PolarHBondContact O-OG1 2.86Å
55	P	87.2	Confident	79.9	Confident	88 Å²	88	43.5 Å²	43.5	57%	0.571	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	125.8	-179.1	-25.4	30.3	0	0	0	112.8
56	G	84.6	Confident	82.1	Confident	23 Å²	23	42 Å²	42	24%	0.237	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	5.2	180	0	0	0	0	0	116.2	Q54 W58	Q54-G56 PolarHBondContact O-N 3.26Å; G56-W58 VanDerWaalsContact C-N 3.34Å
57	T	90.3	Very high	83.9	Confident	10 Å²	10	37.9 Å²	37.9	6%	0.061	24%	0.242	C	C	.	.	S	Bend	trans	-66.2	-36.8	175.3	-51.6	0	0	0	0	111.9	S41 Q54 P59	S41-T57 WeakPolarHBondContact CB-O 3.15Å; Q54-T57 WeakPolarHBondContact CB-OG1 3.26Å; Q54-T57 WeakPolarHBondContact O-CB 3.45Å; Q54-T57 PolarHBondContact O-N 2.86Å; Q54-T57 PolarHBondContact O-OG1 2.86Å; T57-P59 VanDerWaalsContact C-CD 3.42Å; T57-P59 WeakPolarHBondContact O-CD 3.48Å
58	W	94.8	Very high	85.8	Confident	13 Å²	13	35.3 Å²	35.3	5%	0.049	25%	0.246	C	C	.	.			trans	-120.7	65.5	-173.9	-50.7	111.2	0	0	0	111.7	G56 W60 Q61 W174 T176 L193 E195 V248 W255	G56-W58 VanDerWaalsContact C-N 3.34Å; W58-W60 HydrophobicContact CE3-CH2 4.42Å; W58-W60 AromaticContact CE3-CZ2 3.56Å; W58-W60 HydrophobicContact CE3-CZ2 3.56Å; W58-W60 AromaticContact CZ3-CZ2 3.98Å; W58-W60 HydrophobicContact CZ3-CZ2 3.98Å; W58-W60 PolarHBondContact O-N 3.24Å; W58-Q61 HydrophobicContact CB-CB 4.27Å; W58-Q61 VanDerWaalsContact O-CB 3.27Å; W58-Q61 WeakPolarHBondContact O-CB 3.45Å; W58-Q61 PolarHBondContact O-N 2.94Å; W58-W174 HydrophobicContact CH2-CB 3.55Å; W58-W174 HydrophobicContact CH2-CD2 4.04Å; W58-W174 HydrophobicContact CH2-CE3 4.49Å; W58-W174 AromaticContact CH2-CG 3.62Å; W58-W174 HydrophobicContact CH2-CG 3.62Å; W58-W174 HydrophobicContact CZ2-CB 3.94Å; W58-W174 AromaticContact CZ2-CD2 3.96Å; W58-W174 HydrophobicContact CZ2-CD2 3.96Å; W58-W174 AromaticContact CZ2-CE3 3.95Å; W58-W174 HydrophobicContact CZ2-CE3 3.95Å; W58-W174 AromaticContact CZ2-CG 3.98Å; W58-W174 HydrophobicContact CZ2-CG 3.98Å; W58-W174 HydrophobicContact CZ3-CB 4.24Å; W58-T176 HydrophobicContact CB-CG2 4.4Å; W58-T176 HydrophobicContact CD2-CG2 3.73Å; W58-T176 HydrophobicContact CE3-CG2 4.48Å; W58-T176 HydrophobicContact CG-CG2 3.65Å; W58-T176 HydrophobicContact CZ2-CG2 4.42Å; W58-L193 HydrophobicContact CB-CD2 4.37Å; W58-E195 HydrophobicContact CZ2-CB 4.41Å; W58-E195 PolarHBondContact NE1-OE2 2.98Å; W58-V248 HydrophobicContact CE3-CG2 4.02Å; W58-V248 HydrophobicContact CH2-CG2 4.32Å; W58-V248 HydrophobicContact CZ3-CG2 3.54Å; W58-W255 AromaticContact CH2-CH2 3.62Å; W58-W255 HydrophobicContact CH2-CH2 3.62Å; W58-W255 AromaticContact CH2-CZ2 3.81Å; W58-W255 HydrophobicContact CH2-CZ2 3.81Å; W58-W255 HydrophobicContact CH2-CZ3 4.01Å; W58-W255 HydrophobicContact CZ3-CD2 4.06Å; W58-W255 AromaticContact CZ3-CE2 3.97Å; W58-W255 HydrophobicContact CZ3-CE3 4.06Å; W58-W255 AromaticContact CZ3-CH2 3.93Å; W58-W255 HydrophobicContact CZ3-CH2 3.93Å; W58-W255 AromaticContact CZ3-CZ2 3.91Å; W58-W255 HydrophobicContact CZ3-CZ2 3.91Å; W58-W255 HydrophobicContact CZ3-CZ3 4Å
59	P	94.6	Very high	88.3	Confident	5 Å²	5	33 Å²	33	3%	0.032	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-4	-168.4	30.7	-37.3	0	0	0	114.7	R40 T57 A154 V155 R156	R40-P59 WeakPolarHBondContact O-CG 3.37Å; T57-P59 VanDerWaalsContact C-CD 3.42Å; T57-P59 WeakPolarHBondContact O-CD 3.48Å; P59-A154 WeakPolarHBondContact CA-O 3.1Å; P59-V155 CarbonylContact O-C 3.51Å; P59-V155 VanDerWaalsContact O-CA 3.26Å; P59-V155 WeakPolarHBondContact O-CA 3.43Å; P59-R156 CarbonylContact C-O 3.53Å; P59-R156 HydrophobicContact CB-CB 4.06Å; P59-R156 HydrophobicContact CB-CG 4.2Å; P59-R156 HydrophobicContact CG-CB 4.01Å; P59-R156 HydrophobicContact CG-CG 4.32Å; P59-R156 PolarHBondContact O-N 3.4Å; P59-R156 VanDerWaalsContact O-O 3.11Å
60	W	97.5	Very high	90.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-15.4	169.7	42.7	82.8	0	0	0	113.5	W58 V62 S75 L76 R156 V158 V248 W255	W58-W60 HydrophobicContact CE3-CH2 4.42Å; W58-W60 AromaticContact CE3-CZ2 3.56Å; W58-W60 HydrophobicContact CE3-CZ2 3.56Å; W58-W60 AromaticContact CZ3-CZ2 3.98Å; W58-W60 HydrophobicContact CZ3-CZ2 3.98Å; W58-W60 PolarHBondContact O-N 3.24Å; W60-V62 PolarHBondContact O-N 2.99Å; W60-S75 CarbonylContact O-C 3.43Å; W60-S75 WeakPolarHBondContact O-CA 3.46Å; W60-L76 PolarHBondContact O-N 3.35Å; W60-R156 WeakPolarHBondContact CA-O 3.43Å; W60-R156 VanDerWaalsContact CB-O 3.31Å; W60-R156 WeakPolarHBondContact CB-O 3.47Å; W60-R156 PolarHBondContact N-O 3.4Å; W60-V158 HydrophobicContact CB-CB 3.85Å; W60-V158 HydrophobicContact CB-CG1 4.47Å; W60-V158 HydrophobicContact CD2-CB 3.8Å; W60-V158 HydrophobicContact CD2-CG2 3.99Å; W60-V158 HydrophobicContact CE3-CB 4.2Å; W60-V158 HydrophobicContact CE3-CG2 4.44Å; W60-V158 HydrophobicContact CG-CB 3.66Å; W60-V158 HydrophobicContact CG-CG2 4.19Å; W60-V248 HydrophobicContact CZ2-CG1 4.42Å; W60-V248 HydrophobicContact CZ2-CG2 4.27Å; W60-W255 HydrophobicContact CH2-CB 3.51Å; W60-W255 AromaticContact CH2-CD1 3.52Å; W60-W255 HydrophobicContact CH2-CD2 4.48Å; W60-W255 AromaticContact CH2-CG 3.57Å; W60-W255 HydrophobicContact CH2-CG 3.57Å; W60-W255 HydrophobicContact CZ2-CB 3.7Å; W60-W255 HydrophobicContact CZ2-CD2 4.43Å; W60-W255 AromaticContact CZ2-CG 3.84Å; W60-W255 HydrophobicContact CZ2-CG 3.84Å; W60-W255 HydrophobicContact CZ3-CB 4.39Å
61	Q	97.6	Very high	91.8	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.028	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	129.4	-179.5	-172.7	73	14.7	0	0	109.8	W58 T176 W178 L193	W58-Q61 HydrophobicContact CB-CB 4.27Å; W58-Q61 VanDerWaalsContact O-CB 3.27Å; W58-Q61 WeakPolarHBondContact O-CB 3.45Å; W58-Q61 PolarHBondContact O-N 2.94Å; Q61-T176 PolarHBondContact NE2-O 2.86Å; Q61-T176 PolarHBondContact OE1-O 3Å; Q61-T176 PolarHBondContact OE1-OG1 2.85Å; Q61-W178 HydrophobicContact CB-CH2 4.42Å; Q61-W178 HydrophobicContact CG-CE3 4.5Å; Q61-W178 HydrophobicContact CG-CH2 3.48Å; Q61-W178 VanDerWaalsContact CG-CH2 3.48Å; Q61-W178 HydrophobicContact CG-CZ2 4.41Å; Q61-W178 HydrophobicContact CG-CZ3 3.53Å; Q61-L193 HydrophobicContact CB-CD2 4.44Å; Q61-L193 HydrophobicContact CG-CD1 3.83Å; Q61-L193 HydrophobicContact CG-CD2 4.31Å
62	V	97.7	Very high	92.5	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148	171	-55.4	0	0	0	0	111.1	W60 L64 G74 L76 V82 V103 L105	W60-V62 PolarHBondContact O-N 2.99Å; V62-L64 HydrophobicContact CG2-CD2 4.2Å; V62-G74 VanDerWaalsContact CG2-C 3.45Å; V62-G74 PolarHBondContact N-O 2.95Å; V62-G74 PolarHBondContact O-N 2.7Å; V62-L76 HydrophobicContact CG1-CB 4.4Å; V62-V82 HydrophobicContact CG1-CG2 4.49Å; V62-V82 HydrophobicContact CG2-CG1 3.6Å; V62-V82 HydrophobicContact CG2-CG2 4.05Å; V62-V103 HydrophobicContact CB-CG1 3.56Å; V62-V103 HydrophobicContact CG1-CG1 3.97Å; V62-V103 HydrophobicContact CG2-CG1 3.66Å; V62-L105 HydrophobicContact CB-CG 4.4Å; V62-L105 HydrophobicContact CG1-CB 4.21Å; V62-L105 HydrophobicContact CG1-CD2 3.61Å; V62-L105 HydrophobicContact CG1-CG 3.6Å
63	S	97.4	Very high	93	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	120.1	174	166.7	0	0	0	0	108.6	H65 H70 L104 Q110	S63-H65 PolarHBondContact OG-CD2 2.9Å; S63-H65 PolarHBondContact OG-NE2 2.8Å; S63-H70 PolarHBondContact OG-ND1 2.98Å; S63-L104 PolarHBondContact N-O 3.41Å; S63-L104 PolarHBondContact O-N 3.03Å; S63-Q110 PolarHBondContact OG-NE2 3.23Å; S63-Q110 PolarHBondContact OG-OE1 3.46Å
64	L	98.1	Very high	93.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126.7	174.6	-54.3	-179.7	0	0	0	109.7	V62 I71 C72 G73 V82 S84 F89 W101 V103 L143	V62-L64 HydrophobicContact CG2-CD2 4.2Å; L64-I71 PolarHBondContact O-N 2.8Å; L64-C72 WeakPolarHBondContact CA-O 3.45Å; L64-C72 HydrophobicContact CB-CB 4.3Å; L64-C72 VanDerWaalsContact CB-O 3.23Å; L64-C72 WeakPolarHBondContact CB-O 3.25Å; L64-C72 HydrophobicContact CD1-CB 3.92Å; L64-C72 PolarHBondContact N-O 3.47Å; L64-G73 VanDerWaalsContact CD1-O 3.28Å; L64-G73 WeakPolarHBondContact CD1-O 3.49Å; L64-V82 HydrophobicContact CD2-CG1 4.37Å; L64-S84 VanDerWaalsContact CD1-OG 3.27Å; L64-S84 WeakPolarHBondContact CD1-OG 3.27Å; L64-F89 HydrophobicContact CD1-CE1 4.2Å; L64-F89 HydrophobicContact CD1-CZ 3.62Å; L64-W101 HydrophobicContact CB-CE3 4.18Å; L64-W101 HydrophobicContact CB-CZ3 3.83Å; L64-V103 HydrophobicContact CD2-CB 4.42Å; L64-V103 HydrophobicContact CD2-CG1 4.22Å; L64-V103 HydrophobicContact CD2-CG2 3.77Å; L64-L143 HydrophobicContact CD1-CD2 4.34Å; L64-L143 HydrophobicContact CD2-CD2 3.72Å
65	H	96.3	Very high	93.9	Very high	27 Å²	27	26 Å²	26	13%	0.125	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.1	-177.3	-75.7	-168.3	0	0	0	111	S63 G69 S102 Q110	S63-H65 PolarHBondContact OG-CD2 2.9Å; S63-H65 PolarHBondContact OG-NE2 2.8Å; H65-G69 WeakPolarHBondContact CA-O 3.16Å; H65-S102 PolarHBondContact N-O 3.36Å; H65-S102 PolarHBondContact O-N 2.99Å; H65-Q110 PolarHBondContact NE2-OE1 3.2Å
66	H	94.1	Very high	94.4	Very high	54 Å²	54	21.8 Å²	21.8	25%	0.25	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	147.5	164.8	-178.7	-91.2	0	0	0	108.4	G68 G69 I71 E96 E100 W101	H66-G68 PolarHBondContact O-N 2.86Å; H66-G69 PolarHBondContact N-O 3.2Å; H66-G69 PolarHBondContact O-N 3.42Å; H66-I71 HydrophobicContact CB-CG1 4.07Å; H66-E96 IonicContact CD2-OE2 2.66Å; H66-E96 IonicContact NE2-OE2 3.44Å; H66-E100 IonicContact CD2-OE2 3.83Å; H66-E100 IonicContact CE1-OE2 2.9Å; H66-E100 IonicContact NE2-OE2 3.19Å; H66-E100 PolarHBondContact NE2-OE2 2.81Å; H66-W101 HydrophobicContact CB-CD2 3.95Å; H66-W101 HydrophobicContact CB-CE3 4.05Å; H66-W101 HydrophobicContact CB-CH2 3.94Å; H66-W101 HydrophobicContact CB-CZ2 3.79Å; H66-W101 HydrophobicContact CB-CZ3 4.05Å; H66-W101 AromaticContact CD2-CD1 3.74Å; H66-W101 AromaticContact CD2-CE2 3.74Å; H66-W101 AromaticContact CD2-NE1 3.4Å; H66-W101 PolarHBondContact CD2-NE1 3.07Å
67	G	85.9	Confident	95	Very high	80 Å²	80	20.7 Å²	20.7	83%	0.825	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	-0.4	-175.7	0	0	0	0	0	116.1
68	G	83.6	Confident	95.3	Very high	68 Å²	68	20.2 Å²	20.2	70%	0.701	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.4	9	-173.1	0	0	0	0	0	115.5	H66	H66-G68 PolarHBondContact O-N 2.86Å
69	G	90.6	Very high	95.3	Very high	33 Å²	33	20.3 Å²	20.3	34%	0.34	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	162	175.5	0	0	0	0	0	112.8	H65 H66	H65-G69 WeakPolarHBondContact CA-O 3.16Å; H66-G69 PolarHBondContact N-O 3.2Å; H66-G69 PolarHBondContact O-N 3.42Å
70	H	94.4	Very high	95.4	Very high	47 Å²	47	21.3 Å²	21.3	22%	0.218	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	133.4	176.8	-178.9	70.5	0	0	0	111.8	S63 C72 W178 G241	S63-H70 PolarHBondContact OG-ND1 2.98Å; H70-C72 PolarHBondContact CE1-O 3.21Å; H70-W178 AromaticContact CE1-CE3 3.87Å; H70-G241 PolarHBondContact NE2-O 2.86Å
71	I	94.9	Very high	95.4	Very high	86 Å²	86	22.2 Å²	22.2	44%	0.441	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	-40.5	177.2	-60.4	-63.1	0	0	0	112.1	L64 H66 W101	L64-I71 PolarHBondContact O-N 2.8Å; H66-I71 HydrophobicContact CB-CG1 4.07Å; I71-W101 HydrophobicContact CB-CH2 4.01Å; I71-W101 HydrophobicContact CB-CZ3 4.3Å; I71-W101 HydrophobicContact CG2-CH2 3.89Å
72	C	97.3	Very high	95.5	Very high	5 Å²	5	22 Å²	22	3%	0.034	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	155.3	-178.5	-82.2	0	0	0	0	112.1	L64 H70 C88 G241 S243	L64-C72 WeakPolarHBondContact CA-O 3.45Å; L64-C72 HydrophobicContact CB-CB 4.3Å; L64-C72 VanDerWaalsContact CB-O 3.23Å; L64-C72 WeakPolarHBondContact CB-O 3.25Å; L64-C72 HydrophobicContact CD1-CB 3.92Å; L64-C72 PolarHBondContact N-O 3.47Å; H70-C72 PolarHBondContact CE1-O 3.21Å; C72-C88 HydrophobicContact CB-CB 3.88Å; C72-C88 WeakPolarHBondContact CB-SG 3.46Å; C72-C88 WeakPolarHBondContact SG-CB 3.36Å; C72-C88 CovalentContact SG-SG 2.04Å; C72-C88 PolarHBondContact SG-SG 2.64Å; C72-G241 CarbonylContact C-O 3.53Å; C72-S243 CarbonylContact C-O 3.54Å; C72-S243 WeakPolarHBondContact CA-O 3.48Å; C72-S243 VanDerWaalsContact CB-O 3.25Å; C72-S243 WeakPolarHBondContact CB-O 3.19Å; C72-S243 VanDerWaalsContact SG-CB 3.58Å
73	G	97.7	Very high	95.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	169.6	163.2	0	0	0	0	0	113.3	L64 S84 G241 S243 G244	L64-G73 VanDerWaalsContact CD1-O 3.28Å; L64-G73 WeakPolarHBondContact CD1-O 3.49Å; G73-S84 PolarHBondContact O-OG 2.99Å; G73-G241 PolarHBondContact N-O 3.11Å; G73-S243 WeakPolarHBondContact CA-O 3.5Å; G73-S243 PolarHBondContact N-O 2.99Å; G73-G244 CarbonylContact O-C 3.57Å; G73-G244 VanDerWaalsContact O-C 3.25Å
74	G	98.3	Very high	95.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166	175.8	174.3	0	0	0	0	0	111.6	V62 G244	V62-G74 VanDerWaalsContact CG2-C 3.45Å; V62-G74 PolarHBondContact N-O 2.95Å; V62-G74 PolarHBondContact O-N 2.7Å; G74-G244 WeakPolarHBondContact CA-O 3.45Å
75	S	98.5	Very high	95.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	124.7	-176.4	45.8	0	0	0	0	111.8	W60 I77 V82 L83 Q257	W60-S75 CarbonylContact O-C 3.43Å; W60-S75 WeakPolarHBondContact O-CA 3.46Å; S75-I77 PolarHBondContact O-N 3.26Å; S75-V82 CarbonylContact O-C 3.5Å; S75-V82 VanDerWaalsContact O-CA 3.25Å; S75-V82 WeakPolarHBondContact O-CA 3.21Å; S75-L83 PolarHBondContact N-O 3.03Å; S75-L83 PolarHBondContact O-N 3.25Å; S75-L83 PolarHBondContact OG-O 2.85Å; S75-Q257 PolarHBondContact OG-NE2 3.16Å; S75-Q257 PolarHBondContact OG-OE1 2.94Å; S75-Q257 VanDerWaalsContact OG-OE1 3.06Å
76	L	98.3	Very high	95.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	120.9	171.3	-170.1	70.1	0	0	0	109	W60 V62 A78 V82 L105 L145 A149 L151 V155 P157 V158	W60-L76 PolarHBondContact O-N 3.35Å; V62-L76 HydrophobicContact CG1-CB 4.4Å; L76-A78 WeakPolarHBondContact CD1-O 3.32Å; L76-V82 HydrophobicContact CD1-CG2 4.1Å; L76-L105 HydrophobicContact CD1-CD2 3.89Å; L76-L105 HydrophobicContact CD2-CD2 4.22Å; L76-L145 HydrophobicContact CD1-CD1 4.46Å; L76-A149 HydrophobicContact CD1-CB 4.14Å; L76-A149 HydrophobicContact CD2-CB 4.14Å; L76-L151 HydrophobicContact CD2-CD2 3.97Å; L76-V155 HydrophobicContact CD2-CG1 3.82Å; L76-P157 CarbonylContact O-C 3.57Å; L76-P157 WeakPolarHBondContact O-CA 3.26Å; L76-V158 PolarHBondContact O-N 3.06Å
77	I	97.8	Very high	95.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-24.8	179.2	63.3	164.2	0	0	0	112.6	S75 W81 L83 L142 V158 L160 I286 P297	S75-I77 PolarHBondContact O-N 3.26Å; I77-W81 HydrophobicContact CD1-CB 4.21Å; I77-W81 HydrophobicContact CG1-CB 3.81Å; I77-W81 WeakPolarHBondContact CG1-O 3.4Å; I77-W81 PolarHBondContact N-O 2.9Å; I77-L83 HydrophobicContact CD1-CB 4.28Å; I77-L83 HydrophobicContact CG2-CB 3.61Å; I77-L83 HydrophobicContact CG2-CD2 4.22Å; I77-L142 HydrophobicContact CD1-CD2 3.55Å; I77-V158 HydrophobicContact CG2-CG1 4.14Å; I77-L160 HydrophobicContact CB-CD1 4.23Å; I77-L160 HydrophobicContact CD1-CD1 4.12Å; I77-L160 HydrophobicContact CG2-CD1 4.24Å; I77-L160 HydrophobicContact CG2-CD2 3.84Å; I77-L160 HydrophobicContact CG2-CG 4.34Å; I77-I286 HydrophobicContact CD1-CG2 4.15Å; I77-P297 HydrophobicContact CB-CB 4.27Å; I77-P297 HydrophobicContact CB-CG 4.5Å; I77-P297 HydrophobicContact CD1-CB 4.06Å; I77-P297 HydrophobicContact CD1-CG 3.62Å; I77-P297 HydrophobicContact CG1-CB 4.3Å; I77-P297 HydrophobicContact CG1-CG 3.99Å; I77-P297 WeakPolarHBondContact O-CA 3.35Å
78	A	95.9	Very high	96.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	164.3	170.6	0	0	0	0	0	108.9	L36 L76 S80 W81 P297	L36-A78 HydrophobicContact CD2-CB 4.37Å; L76-A78 WeakPolarHBondContact CD1-O 3.32Å; A78-S80 PolarHBondContact O-N 3.19Å; A78-W81 HydrophobicContact CB-CB 4.26Å; A78-W81 PolarHBondContact N-O 3.08Å; A78-W81 PolarHBondContact O-N 3.24Å; A78-P297 HydrophobicContact CB-CG 4.02Å
79	P	95.6	Very high	96.9	Very high	14 Å²	14	14 Å²	14	9%	0.091	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.3	-172.5	-28.4	37.4	0	0	0	115.4	P148 A149 L151 P295	P79-P148 HydrophobicContact CB-CB 4.18Å; P79-P148 CarbonylContact O-C 3.6Å; P79-P148 WeakPolarHBondContact O-CA 3.23Å; P79-A149 WeakPolarHBondContact O-CB 3.48Å; P79-A149 PolarHBondContact O-N 3.39Å; P79-L151 HydrophobicContact CG-CD1 4.2Å; P79-P295 HydrophobicContact CG-CG 3.82Å
80	S	96.3	Very high	97.1	Very high	27 Å²	27	14.2 Å²	14.2	19%	0.189	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	5.9	177	-54.1	0	0	0	0	114.3	A78 H144 L145	A78-S80 PolarHBondContact O-N 3.19Å; S80-H144 WeakPolarHBondContact O-CA 3.02Å; S80-H144 PolarHBondContact O-CD2 3.38Å; S80-L145 PolarHBondContact O-N 2.8Å
81	W	97.9	Very high	96.7	Very high	19 Å²	19	15.3 Å²	15.3	7%	0.072	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	129.1	-171	-68.8	108.6	0	0	0	113.4	I77 A78 L142 L143 H144 V290 S293	I77-W81 HydrophobicContact CD1-CB 4.21Å; I77-W81 HydrophobicContact CG1-CB 3.81Å; I77-W81 WeakPolarHBondContact CG1-O 3.4Å; I77-W81 PolarHBondContact N-O 2.9Å; A78-W81 HydrophobicContact CB-CB 4.26Å; A78-W81 PolarHBondContact N-O 3.08Å; A78-W81 PolarHBondContact O-N 3.24Å; W81-L142 HydrophobicContact CE3-CB 4.11Å; W81-L142 HydrophobicContact CZ3-CB 4.01Å; W81-L143 WeakPolarHBondContact CA-O 3.34Å; W81-H144 AromaticContact CE2-CD2 3.7Å; W81-H144 HydrophobicContact CE3-CB 4Å; W81-H144 HydrophobicContact CH2-CB 3.87Å; W81-H144 HydrophobicContact CZ2-CB 4.42Å; W81-H144 AromaticContact CZ2-CD2 3.75Å; W81-H144 HydrophobicContact CZ3-CB 3.63Å; W81-V290 HydrophobicContact CD2-CG1 3.76Å; W81-V290 HydrophobicContact CE3-CG1 4.26Å; W81-V290 HydrophobicContact CG-CG1 3.99Å; W81-V290 HydrophobicContact CZ2-CB 4.27Å; W81-V290 HydrophobicContact CZ2-CG1 4.06Å; W81-S293 VanDerWaalsContact NE1-CB 3.31Å; W81-S293 PolarHBondContact NE1-OG 3.45Å
82	V	98.6	Very high	96.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	138.2	170.8	169.3	0	0	0	0	109.8	V62 L64 S75 L76 V103 L142 L143 L145	V62-V82 HydrophobicContact CG1-CG2 4.49Å; V62-V82 HydrophobicContact CG2-CG1 3.6Å; V62-V82 HydrophobicContact CG2-CG2 4.05Å; L64-V82 HydrophobicContact CD2-CG1 4.37Å; S75-V82 CarbonylContact O-C 3.5Å; S75-V82 VanDerWaalsContact O-CA 3.25Å; S75-V82 WeakPolarHBondContact O-CA 3.21Å; L76-V82 HydrophobicContact CD1-CG2 4.1Å; V82-V103 HydrophobicContact CG2-CG1 4.14Å; V82-L142 WeakPolarHBondContact O-CA 3.29Å; V82-L143 HydrophobicContact CB-CB 4.27Å; V82-L143 HydrophobicContact CG1-CD1 4.31Å; V82-L143 PolarHBondContact N-O 2.99Å; V82-L143 PolarHBondContact O-N 2.74Å; V82-L145 HydrophobicContact CG2-CD1 4.48Å; V82-L145 HydrophobicContact CG2-CD2 4.27Å
83	L	98.8	Very high	95.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	132.7	170.5	-177.9	63.8	0	0	0	109.3	S75 I77 L140 A141 L142 L160 I260 V279 I286	S75-L83 PolarHBondContact N-O 3.03Å; S75-L83 PolarHBondContact O-N 3.25Å; S75-L83 PolarHBondContact OG-O 2.85Å; I77-L83 HydrophobicContact CD1-CB 4.28Å; I77-L83 HydrophobicContact CG2-CB 3.61Å; I77-L83 HydrophobicContact CG2-CD2 4.22Å; L83-L140 HydrophobicContact CD1-CD1 4.45Å; L83-A141 WeakPolarHBondContact CA-O 3.44Å; L83-L142 HydrophobicContact CB-CD2 4.34Å; L83-L142 HydrophobicContact CD1-CD2 3.97Å; L83-L142 HydrophobicContact CD1-CG 4.44Å; L83-L160 HydrophobicContact CD2-CD2 4.16Å; L83-I260 HydrophobicContact CD1-CD1 3.8Å; L83-I260 HydrophobicContact CD2-CD1 4.02Å; L83-I260 HydrophobicContact CD2-CG1 4.32Å; L83-I260 HydrophobicContact CG-CD1 3.75Å; L83-I260 HydrophobicContact CG-CG1 4.24Å; L83-V279 HydrophobicContact CD2-CG1 4.21Å; L83-V279 HydrophobicContact CD2-CG2 4.3Å; L83-I286 HydrophobicContact CD1-CD1 4.33Å; L83-I286 HydrophobicContact CD2-CD1 4.23Å
84	S	98.6	Very high	95.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	-169.3	179.3	-173.2	0	0	0	0	109.9	L64 G73 L140 A141 G244	L64-S84 VanDerWaalsContact CD1-OG 3.27Å; L64-S84 WeakPolarHBondContact CD1-OG 3.27Å; G73-S84 PolarHBondContact O-OG 2.99Å; S84-L140 CarbonylContact O-C 3.49Å; S84-L140 WeakPolarHBondContact O-CA 3.49Å; S84-A141 PolarHBondContact N-O 2.92Å; S84-A141 PolarHBondContact O-N 2.89Å; S84-G244 WeakPolarHBondContact CA-O 3.11Å; S84-G244 WeakPolarHBondContact OG-CA 3.37Å
85	A	98.2	Very high	95	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.176	C	C	.	.			trans	-87.7	156	177.9	0	0	0	0	0	111.8	F89 A141 I260	A85-F89 VanDerWaalsContact O-CD2 3.27Å; A85-F89 WeakPolarHBondContact O-CD2 3.08Å; A85-F89 WeakPolarHBondContact O-CE2 3.44Å; A85-A141 VanDerWaalsContact O-CB 3.28Å; A85-A141 WeakPolarHBondContact O-CB 3.49Å; A85-I260 HydrophobicContact CB-CG2 4.16Å
86	A	98	Very high	94.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-76.1	-36	176.2	0	0	0	0	0	112.3	C88 F89 M90 V127 Y131 D139	A86-C88 PolarHBondContact O-N 3.22Å; A86-F89 PolarHBondContact O-N 2.86Å; A86-F89 VanDerWaalsContact O-N 3.09Å; A86-M90 VanDerWaalsContact O-CG 3.23Å; A86-M90 WeakPolarHBondContact O-CG 3.1Å; A86-V127 HydrophobicContact CB-CB 4.29Å; A86-V127 HydrophobicContact CB-CG1 3.89Å; A86-Y131 HydrophobicContact CB-CD1 3.54Å; A86-Y131 HydrophobicContact CB-CD2 3.89Å; A86-Y131 HydrophobicContact CB-CE1 3.8Å; A86-Y131 HydrophobicContact CB-CE2 4.12Å; A86-Y131 HydrophobicContact CB-CG 3.61Å; A86-D139 WeakPolarHBondContact CA-OD1 3.44Å; A86-D139 WeakPolarHBondContact CB-OD1 3.37Å; A86-D139 PolarHBondContact N-OD1 2.04Å
87	H	96.4	Very high	94.6	Very high	52 Å²	52	34.8 Å²	34.8	24%	0.241	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-59.8	-30.5	-178.3	74.7	-103.5	0	0	0	113	F89 M90 Y131 V134 D139 S243 S262	H87-F89 PolarHBondContact O-N 3.44Å; H87-M90 PolarHBondContact O-N 2.71Å; H87-Y131 WeakPolarHBondContact CB-OH 3.44Å; H87-V134 HydrophobicContact CB-CG1 3.8Å; H87-D139 IonicContact CE1-OD2 3.16Å; H87-D139 IonicContact CG-OD1 3.21Å; H87-D139 IonicContact CG-OD2 2.66Å; H87-D139 PolarHBondContact N-OD1 2.74Å; H87-D139 IonicContact ND1-OD1 3.56Å; H87-D139 PolarHBondContact ND1-OD1 3.32Å; H87-D139 IonicContact ND1-OD2 3.84Å; H87-D139 PolarHBondContact ND1-OD2 2.96Å; H87-S243 WeakPolarHBondContact NE2-CB 3.33Å; H87-S243 PolarHBondContact NE2-OG 3.48Å; H87-S262 PolarHBondContact CE1-O 3.46Å
88	C	96.8	Very high	94.6	Very high	11 Å²	11	35.8 Å²	35.8	7%	0.074	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-56.4	-20.3	175.1	-67.6	0	0	0	0	114.6	C72 A86 W101	C72-C88 HydrophobicContact CB-CB 3.88Å; C72-C88 WeakPolarHBondContact CB-SG 3.46Å; C72-C88 WeakPolarHBondContact SG-CB 3.36Å; C72-C88 CovalentContact SG-SG 2.04Å; C72-C88 PolarHBondContact SG-SG 2.64Å; A86-C88 PolarHBondContact O-N 3.22Å; C88-W101 VanDerWaalsContact O-CH2 3.26Å; C88-W101 WeakPolarHBondContact O-CH2 3.31Å; C88-W101 WeakPolarHBondContact O-CZ2 3.1Å
89	F	96.4	Very high	94.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-124	9.5	-173.5	-46.6	-73.6	0	0	0	113.7	L64 A85 A86 H87 L95 E96 W101 I125 A141 L143	L64-F89 HydrophobicContact CD1-CE1 4.2Å; L64-F89 HydrophobicContact CD1-CZ 3.62Å; A85-F89 VanDerWaalsContact O-CD2 3.27Å; A85-F89 WeakPolarHBondContact O-CD2 3.08Å; A85-F89 WeakPolarHBondContact O-CE2 3.44Å; A86-F89 PolarHBondContact O-N 2.86Å; A86-F89 VanDerWaalsContact O-N 3.09Å; H87-F89 PolarHBondContact O-N 3.44Å; F89-L95 HydrophobicContact CB-CD1 3.89Å; F89-L95 WeakPolarHBondContact O-CA 3.22Å; F89-E96 PolarHBondContact O-N 3.25Å; F89-W101 AromaticContact CD1-CD2 3.84Å; F89-W101 HydrophobicContact CD1-CD2 3.84Å; F89-W101 AromaticContact CD1-CE2 3.65Å; F89-W101 HydrophobicContact CD1-CE3 4.2Å; F89-W101 HydrophobicContact CD1-CG 4.37Å; F89-W101 HydrophobicContact CD1-CH2 4.16Å; F89-W101 AromaticContact CD1-CZ2 3.83Å; F89-W101 HydrophobicContact CD1-CZ2 3.83Å; F89-W101 HydrophobicContact CD1-CZ3 4.34Å; F89-W101 AromaticContact CE1-CD2 3.79Å; F89-W101 HydrophobicContact CE1-CD2 3.79Å; F89-W101 AromaticContact CE1-CE3 3.71Å; F89-W101 HydrophobicContact CE1-CE3 3.71Å; F89-W101 HydrophobicContact CE1-CG 4.44Å; F89-W101 HydrophobicContact CE1-CH2 4.08Å; F89-W101 HydrophobicContact CE1-CZ2 4.19Å; F89-W101 AromaticContact CE1-CZ3 3.86Å; F89-W101 HydrophobicContact CE1-CZ3 3.86Å; F89-I125 HydrophobicContact CB-CD1 4.4Å; F89-I125 HydrophobicContact CB-CG2 4.08Å; F89-I125 HydrophobicContact CD1-CD1 3.7Å; F89-I125 HydrophobicContact CD1-CG1 4.47Å; F89-I125 HydrophobicContact CD1-CG2 4.26Å; F89-I125 HydrophobicContact CD2-CG2 3.85Å; F89-I125 HydrophobicContact CE1-CD1 4.27Å; F89-I125 HydrophobicContact CE2-CG2 4.39Å; F89-I125 HydrophobicContact CG-CD1 4.16Å; F89-I125 HydrophobicContact CG-CG2 3.78Å; F89-A141 HydrophobicContact CD2-CB 3.71Å; F89-A141 HydrophobicContact CE2-CB 3.54Å; F89-L143 HydrophobicContact CE1-CD2 4.01Å; F89-L143 HydrophobicContact CE1-CG 4.46Å; F89-L143 HydrophobicContact CE2-CD1 3.93Å; F89-L143 HydrophobicContact CZ-CD1 3.68Å; F89-L143 HydrophobicContact CZ-CD2 3.74Å; F89-L143 HydrophobicContact CZ-CG 3.96Å
90	M	93.5	Very high	94.5	Very high	37 Å²	37	44.7 Å²	44.7	18%	0.182	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	61.5	-163.6	-76.2	-68.9	-64.9	0	0	112.9	A86 H87 N92 T94 L95 V127 Y131	A86-M90 VanDerWaalsContact O-CG 3.23Å; A86-M90 WeakPolarHBondContact O-CG 3.1Å; H87-M90 PolarHBondContact O-N 2.71Å; M90-N92 PolarHBondContact O-N 2.96Å; M90-T94 CarbonylContact C-O 3.55Å; M90-T94 WeakPolarHBondContact CA-O 3.31Å; M90-L95 HydrophobicContact SD-CB 3.86Å; M90-L95 HydrophobicContact SD-CD1 4.01Å; M90-V127 HydrophobicContact SD-CG2 4.25Å; M90-Y131 HydrophobicContact CB-CE1 4.01Å; M90-Y131 HydrophobicContact CE-CD1 4.32Å; M90-Y131 HydrophobicContact CG-CD1 4.06Å; M90-Y131 HydrophobicContact CG-CE1 3.92Å
91	T	88	Confident	94.6	Very high	71 Å²	71	43.8 Å²	43.8	44%	0.436	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	123.9	177.1	-71.6	0	0	0	0	111.3	G93 T94 E96	T91-G93 PolarHBondContact O-N 3.26Å; T91-G93 VanDerWaalsContact O-N 3.14Å; T91-T94 PolarHBondContact N-O 3.04Å; T91-T94 PolarHBondContact O-N 2.85Å; T91-T94 PolarHBondContact O-OG1 2.92Å; T91-E96 VanDerWaalsContact CB-OE1 3.3Å; T91-E96 WeakPolarHBondContact CB-OE1 3.48Å; T91-E96 PolarHBondContact OG1-OE1 3.32Å
92	N	84.2	Confident	94.5	Very high	163 Å²	163	44.3 Å²	44.3	87%	0.872	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	31.8	-178.7	-64.7	-49.4	0	0	0	114.7	M90 T94	M90-N92 PolarHBondContact O-N 2.96Å; N92-T94 VanDerWaalsContact C-N 3.27Å; N92-T94 PolarHBondContact O-N 3.34Å
93	G	83.5	Confident	94.5	Very high	53 Å²	53	44.3 Å²	44.3	55%	0.546	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	11.1	-177.5	0	0	0	0	0	114.5	T91	T91-G93 PolarHBondContact O-N 3.26Å; T91-G93 VanDerWaalsContact O-N 3.14Å
94	T	89.7	Confident	94.4	Very high	94 Å²	94	44.9 Å²	44.9	58%	0.577	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	136.3	173.4	56.3	0	0	0	0	111.1	M90 T91 N92	M90-T94 CarbonylContact C-O 3.55Å; M90-T94 WeakPolarHBondContact CA-O 3.31Å; T91-T94 PolarHBondContact N-O 3.04Å; T91-T94 PolarHBondContact O-N 2.85Å; T91-T94 PolarHBondContact O-OG1 2.92Å; N92-T94 VanDerWaalsContact C-N 3.27Å; N92-T94 PolarHBondContact O-N 3.34Å
95	L	94.1	Very high	94.2	Very high	80 Å²	80	45 Å²	45	42%	0.419	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	130.6	178.3	-176.8	67.5	0	0	0	110.8	F89 M90 I125 V127	F89-L95 HydrophobicContact CB-CD1 3.89Å; F89-L95 WeakPolarHBondContact O-CA 3.22Å; M90-L95 HydrophobicContact SD-CB 3.86Å; M90-L95 HydrophobicContact SD-CD1 4.01Å; L95-I125 HydrophobicContact CD1-CB 4.4Å; L95-I125 HydrophobicContact CD1-CG2 3.95Å; L95-V127 HydrophobicContact CD1-CG1 4.17Å; L95-V127 HydrophobicContact CD1-CG2 4.14Å
96	E	94.2	Very high	94	Very high	38 Å²	38	45.6 Å²	45.6	18%	0.178	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-74.6	156.6	-178.3	-69.3	-170.6	170.8	0	0	114.2	H66 F89 T91 A98 W101	H66-E96 IonicContact CD2-OE2 2.66Å; H66-E96 IonicContact NE2-OE2 3.44Å; F89-E96 PolarHBondContact O-N 3.25Å; T91-E96 VanDerWaalsContact CB-OE1 3.3Å; T91-E96 WeakPolarHBondContact CB-OE1 3.48Å; T91-E96 PolarHBondContact OG1-OE1 3.32Å; E96-A98 PolarHBondContact O-N 3.12Å; E96-W101 PolarHBondContact OE2-NE1 3.32Å
97	P	95.1	Very high	93.7	Very high	72 Å²	72	46.1 Å²	46.1	47%	0.468	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-68.7	118.3	179.5	-18.4	33.8	0	0	0	111.6	A99 E100	P97-A99 PolarHBondContact O-N 3.43Å; P97-E100 HydrophobicContact CB-CG 4.27Å; P97-E100 WeakPolarHBondContact CG-OE1 3.27Å; P97-E100 PolarHBondContact O-N 2.99Å
98	A	95.9	Very high	93.4	Very high	20 Å²	20	46.4 Å²	46.4	17%	0.165	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-52	-26.7	177.6	0	0	0	0	0	114.5	E96 E100 W101 V122 I125	E96-A98 PolarHBondContact O-N 3.12Å; A98-E100 VanDerWaalsContact C-N 3.25Å; A98-E100 PolarHBondContact O-N 2.92Å; A98-W101 PolarHBondContact O-N 2.99Å; A98-V122 HydrophobicContact CB-CB 4.48Å; A98-V122 HydrophobicContact CB-CG1 4.12Å; A98-I125 HydrophobicContact CB-CD1 4.11Å; A98-I125 HydrophobicContact CB-CG1 3.98Å
99	A	95.1	Very high	93.2	Very high	99 Å²	99	46.3 Å²	46.3	82%	0.818	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-70	-15.1	177.6	0	0	0	0	0	114.7	P97	P97-A99 PolarHBondContact O-N 3.43Å
100	E	95.3	Very high	92.8	Very high	103 Å²	103	48.2 Å²	48.2	48%	0.481	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-88.2	-11.7	174.3	-61.8	177.7	-163.8	0	0	112.4	H66 P97 A98	H66-E100 IonicContact CD2-OE2 3.83Å; H66-E100 IonicContact CE1-OE2 2.9Å; H66-E100 IonicContact NE2-OE2 3.19Å; H66-E100 PolarHBondContact NE2-OE2 2.81Å; P97-E100 HydrophobicContact CB-CG 4.27Å; P97-E100 WeakPolarHBondContact CG-OE1 3.27Å; P97-E100 PolarHBondContact O-N 2.99Å; A98-E100 VanDerWaalsContact C-N 3.25Å; A98-E100 PolarHBondContact O-N 2.92Å
101	W	97.6	Very high	92.4	Very high	7 Å²	7	51.7 Å²	51.7	3%	0.027	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	141.5	-175.1	-77.3	87.3	0	0	0	112.3	L64 H66 I71 C88 F89 E96 A98 V122 I125	L64-W101 HydrophobicContact CB-CE3 4.18Å; L64-W101 HydrophobicContact CB-CZ3 3.83Å; H66-W101 HydrophobicContact CB-CD2 3.95Å; H66-W101 HydrophobicContact CB-CE3 4.05Å; H66-W101 HydrophobicContact CB-CH2 3.94Å; H66-W101 HydrophobicContact CB-CZ2 3.79Å; H66-W101 HydrophobicContact CB-CZ3 4.05Å; H66-W101 AromaticContact CD2-CD1 3.74Å; H66-W101 AromaticContact CD2-CE2 3.74Å; H66-W101 AromaticContact CD2-NE1 3.4Å; H66-W101 PolarHBondContact CD2-NE1 3.07Å; I71-W101 HydrophobicContact CB-CH2 4.01Å; I71-W101 HydrophobicContact CB-CZ3 4.3Å; I71-W101 HydrophobicContact CG2-CH2 3.89Å; C88-W101 VanDerWaalsContact O-CH2 3.26Å; C88-W101 WeakPolarHBondContact O-CH2 3.31Å; C88-W101 WeakPolarHBondContact O-CZ2 3.1Å; F89-W101 AromaticContact CD1-CD2 3.84Å; F89-W101 HydrophobicContact CD1-CD2 3.84Å; F89-W101 AromaticContact CD1-CE2 3.65Å; F89-W101 HydrophobicContact CD1-CE3 4.2Å; F89-W101 HydrophobicContact CD1-CG 4.37Å; F89-W101 HydrophobicContact CD1-CH2 4.16Å; F89-W101 AromaticContact CD1-CZ2 3.83Å; F89-W101 HydrophobicContact CD1-CZ2 3.83Å; F89-W101 HydrophobicContact CD1-CZ3 4.34Å; F89-W101 AromaticContact CE1-CD2 3.79Å; F89-W101 HydrophobicContact CE1-CD2 3.79Å; F89-W101 AromaticContact CE1-CE3 3.71Å; F89-W101 HydrophobicContact CE1-CE3 3.71Å; F89-W101 HydrophobicContact CE1-CG 4.44Å; F89-W101 HydrophobicContact CE1-CH2 4.08Å; F89-W101 HydrophobicContact CE1-CZ2 4.19Å; F89-W101 AromaticContact CE1-CZ3 3.86Å; F89-W101 HydrophobicContact CE1-CZ3 3.86Å; E96-W101 PolarHBondContact OE2-NE1 3.32Å; A98-W101 PolarHBondContact O-N 2.99Å; W101-V122 HydrophobicContact CB-CB 4.36Å; W101-V122 HydrophobicContact CB-CG2 4.03Å; W101-V122 PolarHBondContact O-N 2.89Å; W101-I125 HydrophobicContact CB-CD1 4.41Å; W101-I125 HydrophobicContact CG-CD1 4.16Å
102	S	97.4	Very high	91.9	Very high	30 Å²	30	49.2 Å²	49.2	21%	0.21	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	157.2	173	67.7	0	0	0	0	111.8	H65 R120	H65-S102 PolarHBondContact N-O 3.36Å; H65-S102 PolarHBondContact O-N 2.99Å; S102-R120 CarbonylContact C-O 3.57Å; S102-R120 WeakPolarHBondContact CA-O 3.48Å; S102-R120 WeakPolarHBondContact CB-O 3.48Å
103	V	97.9	Very high	91.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122	-178.4	-175	0	0	0	0	108.4	V62 L64 V82 L105 T119 R120 V122 L143 L145	V62-V103 HydrophobicContact CB-CG1 3.56Å; V62-V103 HydrophobicContact CG1-CG1 3.97Å; V62-V103 HydrophobicContact CG2-CG1 3.66Å; L64-V103 HydrophobicContact CD2-CB 4.42Å; L64-V103 HydrophobicContact CD2-CG1 4.22Å; L64-V103 HydrophobicContact CD2-CG2 3.77Å; V82-V103 HydrophobicContact CG2-CG1 4.14Å; V103-L105 HydrophobicContact CB-CD1 4.26Å; V103-L105 HydrophobicContact CG1-CD1 3.85Å; V103-L105 HydrophobicContact CG1-CG 3.91Å; V103-T119 CarbonylContact O-C 3.6Å; V103-T119 VanDerWaalsContact O-CA 3.25Å; V103-T119 WeakPolarHBondContact O-CA 3.49Å; V103-R120 PolarHBondContact N-O 3.09Å; V103-R120 PolarHBondContact O-N 3.33Å; V103-V122 HydrophobicContact CG2-CG2 3.87Å; V103-L143 HydrophobicContact CG2-CD2 4.16Å; V103-L145 HydrophobicContact CB-CD2 4.03Å; V103-L145 HydrophobicContact CG2-CD2 3.58Å
104	L	96.1	Very high	90.8	Very high	13 Å²	13	49.2 Å²	49.2	7%	0.068	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	118.5	170.6	175.8	59.8	0	0	0	109.1	S63 V107	S63-L104 PolarHBondContact N-O 3.41Å; S63-L104 PolarHBondContact O-N 3.03Å; L104-V107 HydrophobicContact CD1-CB 4.48Å; L104-V107 HydrophobicContact CD2-CB 4.06Å; L104-V107 HydrophobicContact CD2-CG1 3.82Å; L104-V107 HydrophobicContact CD2-CG2 4.22Å; L104-V107 HydrophobicContact CG-CB 4.02Å; L104-V107 HydrophobicContact CG-CG1 3.74Å
105	L	95.9	Very high	90	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	149.5	-177.2	-55.4	98.5	0	0	0	111	V62 L76 V103 V107 A117 H118 R120 A149 V155	V62-L105 HydrophobicContact CB-CG 4.4Å; V62-L105 HydrophobicContact CG1-CB 4.21Å; V62-L105 HydrophobicContact CG1-CD2 3.61Å; V62-L105 HydrophobicContact CG1-CG 3.6Å; L76-L105 HydrophobicContact CD1-CD2 3.89Å; L76-L105 HydrophobicContact CD2-CD2 4.22Å; V103-L105 HydrophobicContact CB-CD1 4.26Å; V103-L105 HydrophobicContact CG1-CD1 3.85Å; V103-L105 HydrophobicContact CG1-CG 3.91Å; L105-V107 PolarHBondContact O-N 2.99Å; L105-A117 CarbonylContact O-C 3.47Å; L105-A117 WeakPolarHBondContact O-CA 3.38Å; L105-A117 WeakPolarHBondContact O-CB 3.46Å; L105-H118 WeakPolarHBondContact CD1-O 3.24Å; L105-H118 PolarHBondContact N-O 3.24Å; L105-H118 PolarHBondContact O-N 2.96Å; L105-R120 HydrophobicContact CD1-CB 4.3Å; L105-R120 HydrophobicContact CD1-CG 3.92Å; L105-A149 HydrophobicContact CD2-CB 3.7Å; L105-V155 HydrophobicContact CB-CG1 4.33Å; L105-V155 HydrophobicContact CB-CG2 4.15Å; L105-V155 HydrophobicContact CD2-CG1 4.18Å
106	G	93.1	Very high	89.2	Confident	14 Å²	14	50.6 Å²	50.6	14%	0.144	31%	0.313	C	S	.	.	S	Bend	trans	72.3	9	172	0	0	0	0	0	115.5	A154 V155	G106-A154 WeakPolarHBondContact CA-O 3.35Å; G106-V155 VanDerWaalsContact CA-CG2 3.45Å
107	V	92	Very high	89	Confident	10 Å²	10	49.7 Å²	49.7	6%	0.061	31%	0.311	C	S	.	.			trans	-79.6	142	173.2	66.4	0	0	0	0	110.1	L104 L105 S109 L114 A117 W178	L104-V107 HydrophobicContact CD1-CB 4.48Å; L104-V107 HydrophobicContact CD2-CB 4.06Å; L104-V107 HydrophobicContact CD2-CG1 3.82Å; L104-V107 HydrophobicContact CD2-CG2 4.22Å; L104-V107 HydrophobicContact CG-CB 4.02Å; L104-V107 HydrophobicContact CG-CG1 3.74Å; L105-V107 PolarHBondContact O-N 2.99Å; V107-S109 WeakPolarHBondContact CG2-O 3.33Å; V107-L114 HydrophobicContact CG2-CD2 4.34Å; V107-A117 HydrophobicContact CB-CB 4.21Å; V107-W178 HydrophobicContact CG1-CH2 3.87Å; V107-W178 HydrophobicContact CG1-CZ2 3.71Å; V107-W178 WeakPolarHBondContact O-CZ2 3.31Å
108	H	90.7	Very high	88.9	Confident	59 Å²	59	47.6 Å²	47.6	27%	0.273	30%	0.295	S	S	.	.	S	Bend	trans	-105.4	-35.8	172	166	50.7	0	0	0	111.8	A53 W178 V192 L193	A53-H108 PolarHBondContact O-CE1 2.84Å; H108-W178 PolarHBondContact O-NE1 3.06Å; H108-V192 VanDerWaalsContact CE1-CG1 3.4Å; H108-V192 WeakPolarHBondContact CE1-CG1 3.21Å; H108-L193 VanDerWaalsContact O-CB 3.31Å; H108-L193 WeakPolarHBondContact O-CB 3.36Å; H108-L193 PolarHBondContact O-N 2.86Å
109	S	91.1	Very high	88.8	Confident	9 Å²	9	50.3 Å²	50.3	6%	0.063	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-136.5	132.7	177.2	142.5	0	0	0	0	109	V107 D111 G112 P190 W191	V107-S109 WeakPolarHBondContact CG2-O 3.33Å; S109-D111 VanDerWaalsContact C-N 3.28Å; S109-D111 PolarHBondContact O-N 2.83Å; S109-G112 PolarHBondContact O-N 3.04Å; S109-G112 WeakPolarHBondContact OG-CA 3.25Å; S109-G112 PolarHBondContact OG-N 2.88Å; S109-P190 WeakPolarHBondContact OG-CB 3.44Å; S109-P190 PolarHBondContact OG-O 3.44Å; S109-W191 WeakPolarHBondContact CA-O 3.47Å
110	Q	87.6	Confident	88.9	Confident	40 Å²	40	47.5 Å²	47.5	19%	0.187	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-28.5	-170.9	-54.5	-93.2	-3.5	0	0	112.4	S63 H65 W178 P190 W191	S63-Q110 PolarHBondContact OG-NE2 3.23Å; S63-Q110 PolarHBondContact OG-OE1 3.46Å; H65-Q110 PolarHBondContact NE2-OE1 3.2Å; Q110-W178 HydrophobicContact CG-CG 4.21Å; Q110-P190 PolarHBondContact N-O 2.88Å; Q110-W191 HydrophobicContact CB-CB 3.87Å; Q110-W191 HydrophobicContact CB-CE3 4.05Å; Q110-W191 HydrophobicContact CG-CB 3.86Å; Q110-W191 PolarHBondContact N-O 3.05Å; Q110-W191 VanDerWaalsContact N-O 3.12Å
111	D	85.4	Confident	89	Confident	110 Å²	110	45.4 Å²	45.4	59%	0.588	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	14.8	171.8	-164.4	44.1	0	0	0	112.6	S109 L189 P190 W191	S109-D111 VanDerWaalsContact C-N 3.28Å; S109-D111 PolarHBondContact O-N 2.83Å; D111-L189 HydrophobicContact CB-CD2 4.08Å; D111-P190 HydrophobicContact CB-CB 4.01Å; D111-P190 PolarHBondContact N-O 3.06Å; D111-W191 HydrophobicContact CB-CE3 3.93Å; D111-W191 HydrophobicContact CB-CZ3 4.07Å
112	G	77.1	Confident	89	Confident	18 Å²	18	45.5 Å²	45.5	19%	0.186	28%	0.28	C	S	.	.	S	Bend	trans	-95.7	175	-173.2	0	0	0	0	0	115	S109 L114	S109-G112 PolarHBondContact O-N 3.04Å; S109-G112 WeakPolarHBondContact OG-CA 3.25Å; S109-G112 PolarHBondContact OG-N 2.88Å; G112-L114 PolarHBondContact O-N 2.83Å
113	P	71.3	Confident	89	Confident	111 Å²	111	46.8 Å²	46.8	72%	0.721	29%	0.292	S	S	*	.			trans	-59.6	125.6	173.1	-22.5	34	0	0	0	112	D115	P113-D115 PolarHBondContact O-N 2.9Å
114	L	74.7	Confident	89	Confident	105 Å²	105	48.6 Å²	48.6	55%	0.55	31%	0.307	S	S	.	.			trans	-80.4	39.8	-179	-62.5	176.9	0	0	0	113	V107 G112 G116 A117	V107-L114 HydrophobicContact CG2-CD2 4.34Å; G112-L114 PolarHBondContact O-N 2.83Å; L114-G116 PolarHBondContact O-N 3.2Å; L114-A117 HydrophobicContact CB-CB 4.08Å; L114-A117 HydrophobicContact CD2-CB 3.94Å; L114-A117 PolarHBondContact O-N 2.93Å; L114-A117 VanDerWaalsContact O-N 3.14Å
115	D	73.3	Confident	89.1	Confident	147 Å²	147	48.7 Å²	48.7	79%	0.786	31%	0.308	S	S	*	.	S	Bend	trans	-70.8	89.5	-172.4	-78	-36.3	0	0	0	112.2	P113	P113-D115 PolarHBondContact O-N 2.9Å
116	G	76.1	Confident	89.2	Confident	57 Å²	57	50.4 Å²	50.4	59%	0.588	32%	0.318	S	S	*	.	S	Bend	trans	93.3	-10.9	-173.4	0	0	0	0	0	114	L114 H118	L114-G116 PolarHBondContact O-N 3.2Å; G116-H118 PolarHBondContact O-ND1 3.35Å; G116-H118 VanDerWaalsContact O-ND1 3.11Å
117	A	89.6	Confident	89.3	Confident	18 Å²	18	51 Å²	51	15%	0.149	32%	0.319	C	S	.	.			trans	-68.9	147	175.4	0	0	0	0	0	111.4	L105 V107 L114	L105-A117 CarbonylContact O-C 3.47Å; L105-A117 WeakPolarHBondContact O-CA 3.38Å; L105-A117 WeakPolarHBondContact O-CB 3.46Å; V107-A117 HydrophobicContact CB-CB 4.21Å; L114-A117 HydrophobicContact CB-CB 4.08Å; L114-A117 HydrophobicContact CD2-CB 3.94Å; L114-A117 PolarHBondContact O-N 2.93Å; L114-A117 VanDerWaalsContact O-N 3.14Å
118	H	93.4	Very high	89.5	Confident	29 Å²	29	50.9 Å²	50.9	13%	0.134	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	146.6	-179.1	54.6	-90.8	0	0	0	113.2	L105 G116 R120 S150	L105-H118 WeakPolarHBondContact CD1-O 3.24Å; L105-H118 PolarHBondContact N-O 3.24Å; L105-H118 PolarHBondContact O-N 2.96Å; G116-H118 PolarHBondContact O-ND1 3.35Å; G116-H118 VanDerWaalsContact O-ND1 3.11Å; H118-R120 PolarHBondContact CD2-NH1 3.22Å; H118-S150 PolarHBondContact CE1-N 3.03Å; H118-S150 PolarHBondContact CE1-O 2.86Å; H118-S150 VanDerWaalsContact CE1-O 3.29Å; H118-S150 PolarHBondContact NE2-N 2.84Å
119	T	94.9	Very high	89.4	Confident	77 Å²	77	55.4 Å²	55.4	47%	0.472	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	151.6	175.5	-42.1	0	0	0	0	111.7	V103	V103-T119 CarbonylContact O-C 3.6Å; V103-T119 VanDerWaalsContact O-CA 3.25Å; V103-T119 WeakPolarHBondContact O-CA 3.49Å
120	R	96.8	Very high	89.2	Confident	40 Å²	40	60.4 Å²	60.4	15%	0.151	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	133.9	166.9	-67.5	-61.8	-174.4	-90.4	-3.8	110	S102 V103 L105 H118 L145 S147 P148 S150	S102-R120 CarbonylContact C-O 3.57Å; S102-R120 WeakPolarHBondContact CA-O 3.48Å; S102-R120 WeakPolarHBondContact CB-O 3.48Å; V103-R120 PolarHBondContact N-O 3.09Å; V103-R120 PolarHBondContact O-N 3.33Å; L105-R120 HydrophobicContact CD1-CB 4.3Å; L105-R120 HydrophobicContact CD1-CG 3.92Å; H118-R120 PolarHBondContact CD2-NH1 3.22Å; R120-L145 HydrophobicContact CB-CB 4.4Å; R120-L145 HydrophobicContact CB-CD1 4.37Å; R120-L145 HydrophobicContact CB-CD2 4.23Å; R120-L145 HydrophobicContact CG-CD1 4.33Å; R120-S147 VanDerWaalsContact CD-O 3.29Å; R120-S147 WeakPolarHBondContact CD-O 3.16Å; R120-S147 WeakPolarHBondContact CD-OG 3.28Å; R120-S147 PolarHBondContact NE-O 2.76Å; R120-P148 VanDerWaalsContact CZ-O 3.31Å; R120-P148 PolarHBondContact NE-O 2.86Å; R120-P148 PolarHBondContact NH2-O 3.45Å; R120-S150 PolarHBondContact NH2-OG 2.83Å
121	A	97.4	Very high	89.5	Confident	59 Å²	59	59.7 Å²	59.7	49%	0.488	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	149.9	169	0	0	0	0	0	110.3	A146	A121-A146 HydrophobicContact CB-CB 4.25Å; A121-A146 VanDerWaalsContact O-CB 3.29Å; A121-A146 WeakPolarHBondContact O-CB 3.34Å; A121-A146 PolarHBondContact O-N 3.02Å
122	V	98	Very high	89.6	Confident	8 Å²	8	57.5 Å²	57.5	5%	0.048	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	131.1	176.2	-174.9	0	0	0	0	109.5	A98 W101 V103 A124 I125 L143	A98-V122 HydrophobicContact CB-CB 4.48Å; A98-V122 HydrophobicContact CB-CG1 4.12Å; W101-V122 HydrophobicContact CB-CB 4.36Å; W101-V122 HydrophobicContact CB-CG2 4.03Å; W101-V122 PolarHBondContact O-N 2.89Å; V103-V122 HydrophobicContact CG2-CG2 3.87Å; V122-A124 VanDerWaalsContact CG1-O 3.25Å; V122-A124 WeakPolarHBondContact CG1-O 3.25Å; V122-I125 HydrophobicContact CG1-CG1 3.81Å; V122-L143 HydrophobicContact CG1-CB 4.1Å; V122-L143 HydrophobicContact CG2-CD2 4.03Å
123	A	97.2	Very high	90.3	Very high	58 Å²	58	62.1 Å²	62.1	48%	0.479	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-31.6	177.4	0	0	0	0	0	112.7	H144 A146	A123-H144 PolarHBondContact N-O 3.06Å; A123-A146 HydrophobicContact CB-CB 4.04Å
124	A	97.4	Very high	91.2	Very high	38 Å²	38	57.8 Å²	57.8	31%	0.314	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	146.6	173.6	0	0	0	0	0	110.4	V122 L143 H144	V122-A124 VanDerWaalsContact CG1-O 3.25Å; V122-A124 WeakPolarHBondContact CG1-O 3.25Å; A124-L143 WeakPolarHBondContact O-CA 3.14Å; A124-H144 HydrophobicContact CB-CB 4.28Å; A124-H144 PolarHBondContact N-O 2.73Å; A124-H144 PolarHBondContact O-N 3.24Å
125	I	98	Very high	91.9	Very high	15 Å²	15	56.7 Å²	56.7	8%	0.077	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.8	167.1	-57.2	164.2	0	0	0	106.3	F89 L95 A98 W101 V122 V127	F89-I125 HydrophobicContact CB-CD1 4.4Å; F89-I125 HydrophobicContact CB-CG2 4.08Å; F89-I125 HydrophobicContact CD1-CD1 3.7Å; F89-I125 HydrophobicContact CD1-CG1 4.47Å; F89-I125 HydrophobicContact CD1-CG2 4.26Å; F89-I125 HydrophobicContact CD2-CG2 3.85Å; F89-I125 HydrophobicContact CE1-CD1 4.27Å; F89-I125 HydrophobicContact CE2-CG2 4.39Å; F89-I125 HydrophobicContact CG-CD1 4.16Å; F89-I125 HydrophobicContact CG-CG2 3.78Å; L95-I125 HydrophobicContact CD1-CB 4.4Å; L95-I125 HydrophobicContact CD1-CG2 3.95Å; A98-I125 HydrophobicContact CB-CD1 4.11Å; A98-I125 HydrophobicContact CB-CG1 3.98Å; W101-I125 HydrophobicContact CB-CD1 4.41Å; W101-I125 HydrophobicContact CG-CD1 4.16Å; V122-I125 HydrophobicContact CG1-CG1 3.81Å; I125-V127 HydrophobicContact CG2-CG1 4.49Å
126	V	97.3	Very high	92.8	Very high	36 Å²	36	54.6 Å²	54.6	22%	0.218	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	121.4	-177.7	-173.5	0	0	0	0	108.9	A141 L142 W285 Q289	V126-A141 CarbonylContact O-C 3.57Å; V126-A141 WeakPolarHBondContact O-CA 3.48Å; V126-L142 HydrophobicContact CB-CB 4.44Å; V126-L142 PolarHBondContact N-O 2.96Å; V126-L142 PolarHBondContact O-N 3.27Å; V126-W285 HydrophobicContact CG1-CZ2 4.07Å; V126-Q289 HydrophobicContact CG1-CG 4.02Å
127	V	97.1	Very high	93.5	Very high	28 Å²	28	52.2 Å²	52.2	17%	0.17	31%	0.309	C	S	.	.			trans	-122.6	152.7	177.6	-65	0	0	0	0	110.3	A86 M90 L95 I125 A141	A86-V127 HydrophobicContact CB-CB 4.29Å; A86-V127 HydrophobicContact CB-CG1 3.89Å; M90-V127 HydrophobicContact SD-CG2 4.25Å; L95-V127 HydrophobicContact CD1-CG1 4.17Å; L95-V127 HydrophobicContact CD1-CG2 4.14Å; I125-V127 HydrophobicContact CG2-CG1 4.49Å; V127-A141 HydrophobicContact CG1-CB 3.88Å
128	P	94.8	Very high	93.8	Very high	7 Å²	7	51.5 Å²	51.5	5%	0.045	30%	0.303	C	S	.	.			trans	-59.5	135.6	174.1	-24.9	33.9	0	0	0	112.3	N130 Y131 A138 L140 W285	P128-N130 WeakPolarHBondContact CB-OD1 3.5Å; P128-N130 PolarHBondContact O-N 2.97Å; P128-N130 VanDerWaalsContact O-N 3.08Å; P128-Y131 WeakPolarHBondContact O-CB 3.46Å; P128-Y131 PolarHBondContact O-N 3.33Å; P128-A138 HydrophobicContact CB-CB 4.31Å; P128-A138 HydrophobicContact CG-CB 4.35Å; P128-L140 WeakPolarHBondContact CD-O 3.42Å; P128-L140 HydrophobicContact CG-CD2 3.67Å; P128-L140 HydrophobicContact CG-CG 4.25Å; P128-W285 HydrophobicContact CG-CH2 4.28Å; P128-W285 HydrophobicContact CG-CZ2 3.91Å
129	V	89.7	Confident	94	Very high	154 Å²	154	50.1 Å²	50.1	93%	0.933	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.1	-179.4	-177.5	0	0	0	0	112.7
130	N	87.1	Confident	94.1	Very high	114 Å²	114	46.5 Å²	46.5	61%	0.61	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-0.4	176.1	69.3	-76.1	0	0	0	114.2	P128 A138	P128-N130 WeakPolarHBondContact CB-OD1 3.5Å; P128-N130 PolarHBondContact O-N 2.97Å; P128-N130 VanDerWaalsContact O-N 3.08Å; N130-A138 WeakPolarHBondContact ND2-CB 3.35Å
131	Y	92.6	Very high	94.2	Very high	24 Å²	24	44.6 Å²	44.6	9%	0.094	27%	0.267	C	S	.	.			trans	-69.2	145	172.5	176.9	-101.3	0	0	0	110.4	A86 H87 M90 P128 A138 D139	A86-Y131 HydrophobicContact CB-CD1 3.54Å; A86-Y131 HydrophobicContact CB-CD2 3.89Å; A86-Y131 HydrophobicContact CB-CE1 3.8Å; A86-Y131 HydrophobicContact CB-CE2 4.12Å; A86-Y131 HydrophobicContact CB-CG 3.61Å; H87-Y131 WeakPolarHBondContact CB-OH 3.44Å; M90-Y131 HydrophobicContact CB-CE1 4.01Å; M90-Y131 HydrophobicContact CE-CD1 4.32Å; M90-Y131 HydrophobicContact CG-CD1 4.06Å; M90-Y131 HydrophobicContact CG-CE1 3.92Å; P128-Y131 WeakPolarHBondContact O-CB 3.46Å; P128-Y131 PolarHBondContact O-N 3.33Å; Y131-A138 WeakPolarHBondContact CD2-O 3.37Å; Y131-D139 HydrophobicContact CD2-CB 4.22Å; Y131-D139 HydrophobicContact CE2-CB 3.83Å
132	S	88.7	Confident	94.2	Very high	64 Å²	64	41.8 Å²	41.8	45%	0.448	24%	0.244	S	C	.	.			trans	-155.2	-47.2	178.1	46.1	0	0	0	0	113	L136	S132-L136 WeakPolarHBondContact OG-CD1 3.26Å
133	Q	90.6	Very high	94.3	Very high	115 Å²	115	41.4 Å²	41.4	54%	0.537	24%	0.242	S	C	.	.			trans	-144	155.1	173.4	-58.6	-173	-97.9	0	0	109.5	E135 L136	Q133-E135 VanDerWaalsContact C-N 3.32Å; Q133-E135 WeakPolarHBondContact CB-OE2 3.26Å; Q133-E135 PolarHBondContact O-N 2.82Å; Q133-L136 HydrophobicContact CB-CD1 4.44Å; Q133-L136 PolarHBondContact O-N 3.36Å; Q133-L136 VanDerWaalsContact O-N 3.13Å
134	V	90.9	Very high	94.3	Very high	21 Å²	21	41.7 Å²	41.7	13%	0.127	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-63.9	-35.7	-173	-62.3	0	0	0	0	112.7	H87 L136 G137 M226 F263	H87-V134 HydrophobicContact CB-CG1 3.8Å; V134-L136 PolarHBondContact O-N 3.34Å; V134-G137 PolarHBondContact O-N 3.05Å; V134-M226 VanDerWaalsContact O-CE 3.3Å; V134-M226 WeakPolarHBondContact O-CE 3.26Å; V134-F263 HydrophobicContact CB-CB 4.26Å; V134-F263 HydrophobicContact CB-CD1 3.67Å; V134-F263 HydrophobicContact CB-CE1 4.17Å; V134-F263 HydrophobicContact CB-CG 4.07Å; V134-F263 HydrophobicContact CG2-CB 3.79Å; V134-F263 HydrophobicContact CG2-CD1 3.75Å; V134-F263 HydrophobicContact CG2-CD2 4.08Å; V134-F263 HydrophobicContact CG2-CE1 4.28Å; V134-F263 HydrophobicContact CG2-CG 3.63Å; V134-F263 WeakPolarHBondContact O-CE1 3.44Å
135	E	89.9	Confident	94.3	Very high	81 Å²	81	40 Å²	40	38%	0.379	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-68.5	-16.5	178.8	-51.4	87.8	161.4	0	0	112.9	Q133 L220 L223 F263	Q133-E135 VanDerWaalsContact C-N 3.32Å; Q133-E135 WeakPolarHBondContact CB-OE2 3.26Å; Q133-E135 PolarHBondContact O-N 2.82Å; E135-L220 HydrophobicContact CB-CD1 4.24Å; E135-L220 HydrophobicContact CG-CD1 4.34Å; E135-L223 WeakPolarHBondContact O-CD1 3.47Å; E135-F263 HydrophobicContact CG-CE2 4.13Å; E135-F263 HydrophobicContact CG-CZ 4.37Å
136	L	91.1	Very high	94.2	Very high	103 Å²	103	42.3 Å²	42.3	54%	0.539	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-94.9	-2	175.6	-59.3	177.4	0	0	0	112.6	S132 Q133 V134	S132-L136 WeakPolarHBondContact OG-CD1 3.26Å; Q133-L136 HydrophobicContact CB-CD1 4.44Å; Q133-L136 PolarHBondContact O-N 3.36Å; Q133-L136 VanDerWaalsContact O-N 3.13Å; V134-L136 PolarHBondContact O-N 3.34Å
137	G	92.1	Very high	94.2	Very high	7 Å²	7	43.4 Å²	43.4	7%	0.072	25%	0.249	C	C	.	.	S	Bend	trans	74.1	-170.6	175.6	0	0	0	0	0	114.4	V134 D139	V134-G137 PolarHBondContact O-N 3.05Å; G137-D139 PolarHBondContact O-N 3.14Å
138	A	94.5	Very high	94.1	Very high	4 Å²	4	45.5 Å²	45.5	3%	0.033	26%	0.263	C	S	.	.			trans	55.5	31.7	-169.1	0	0	0	0	0	114	P128 N130 Y131 L140 Y282	P128-A138 HydrophobicContact CB-CB 4.31Å; P128-A138 HydrophobicContact CG-CB 4.35Å; N130-A138 WeakPolarHBondContact ND2-CB 3.35Å; Y131-A138 WeakPolarHBondContact CD2-O 3.37Å; A138-L140 VanDerWaalsContact C-N 3.32Å; A138-L140 HydrophobicContact CB-CD2 4.49Å; A138-L140 PolarHBondContact O-N 2.82Å; A138-Y282 WeakPolarHBondContact CA-OH 3.38Å; A138-Y282 HydrophobicContact CB-CE1 4.12Å; A138-Y282 PolarHBondContact N-OH 2.85Å
139	D	97.3	Very high	94.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.265	C	S	.	.			trans	-78.4	76.6	173.3	-176.5	30.6	0	0	0	111.2	A86 H87 Y131 G137 S262 T277	A86-D139 WeakPolarHBondContact CA-OD1 3.44Å; A86-D139 WeakPolarHBondContact CB-OD1 3.37Å; A86-D139 PolarHBondContact N-OD1 2.04Å; H87-D139 IonicContact CE1-OD2 3.16Å; H87-D139 IonicContact CG-OD1 3.21Å; H87-D139 IonicContact CG-OD2 2.66Å; H87-D139 PolarHBondContact N-OD1 2.74Å; H87-D139 IonicContact ND1-OD1 3.56Å; H87-D139 PolarHBondContact ND1-OD1 3.32Å; H87-D139 IonicContact ND1-OD2 3.84Å; H87-D139 PolarHBondContact ND1-OD2 2.96Å; Y131-D139 HydrophobicContact CD2-CB 4.22Å; Y131-D139 HydrophobicContact CE2-CB 3.83Å; G137-D139 PolarHBondContact O-N 3.14Å; D139-S262 WeakPolarHBondContact CB-OG 3.46Å; D139-S262 WeakPolarHBondContact OD2-CB 3.3Å; D139-S262 PolarHBondContact OD2-OG 2.98Å; D139-T277 WeakPolarHBondContact O-CB 3.39Å; D139-T277 PolarHBondContact O-OG1 3.03Å
140	L	98	Very high	94.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.244	C	C	.	.			trans	-145	150.8	172.6	71.7	163.7	0	0	0	111.7	L83 S84 P128 A138 I260 T277 Y282 W285 I286	L83-L140 HydrophobicContact CD1-CD1 4.45Å; S84-L140 CarbonylContact O-C 3.49Å; S84-L140 WeakPolarHBondContact O-CA 3.49Å; P128-L140 WeakPolarHBondContact CD-O 3.42Å; P128-L140 HydrophobicContact CG-CD2 3.67Å; P128-L140 HydrophobicContact CG-CG 4.25Å; A138-L140 VanDerWaalsContact C-N 3.32Å; A138-L140 HydrophobicContact CB-CD2 4.49Å; A138-L140 PolarHBondContact O-N 2.82Å; L140-I260 HydrophobicContact CB-CD1 3.61Å; L140-T277 HydrophobicContact CB-CG2 4.17Å; L140-T277 HydrophobicContact CD2-CG2 4.19Å; L140-Y282 HydrophobicContact CD1-CD1 4.06Å; L140-Y282 HydrophobicContact CD1-CD2 4.22Å; L140-Y282 HydrophobicContact CD1-CG 3.68Å; L140-Y282 HydrophobicContact CD2-CD1 3.58Å; L140-Y282 HydrophobicContact CD2-CD2 4.26Å; L140-Y282 HydrophobicContact CD2-CE1 3.7Å; L140-Y282 HydrophobicContact CD2-CE2 4.37Å; L140-Y282 HydrophobicContact CD2-CG 3.89Å; L140-Y282 HydrophobicContact CG-CG 4.49Å; L140-W285 HydrophobicContact CD1-CE3 3.64Å; L140-W285 HydrophobicContact CD1-CZ3 3.6Å; L140-W285 HydrophobicContact CG-CE3 4.15Å; L140-W285 HydrophobicContact CG-CH2 4.4Å; L140-W285 HydrophobicContact CG-CZ3 3.78Å; L140-I286 HydrophobicContact CD1-CD1 4.48Å; L140-I286 HydrophobicContact CD1-CG1 4.37Å
141	A	98.3	Very high	94.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	147	179.5	0	0	0	0	0	111.6	L83 S84 A85 F89 V126 V127 L143	L83-A141 WeakPolarHBondContact CA-O 3.44Å; S84-A141 PolarHBondContact N-O 2.92Å; S84-A141 PolarHBondContact O-N 2.89Å; A85-A141 VanDerWaalsContact O-CB 3.28Å; A85-A141 WeakPolarHBondContact O-CB 3.49Å; F89-A141 HydrophobicContact CD2-CB 3.71Å; F89-A141 HydrophobicContact CE2-CB 3.54Å; V126-A141 CarbonylContact O-C 3.57Å; V126-A141 WeakPolarHBondContact O-CA 3.48Å; V127-A141 HydrophobicContact CG1-CB 3.88Å; A141-L143 HydrophobicContact CB-CD1 4.46Å
142	L	98.4	Very high	94.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.5	169.6	-75	169.6	0	0	0	110.2	I77 W81 V82 L83 V126 W285 I286 Q289 V290	I77-L142 HydrophobicContact CD1-CD2 3.55Å; W81-L142 HydrophobicContact CE3-CB 4.11Å; W81-L142 HydrophobicContact CZ3-CB 4.01Å; V82-L142 WeakPolarHBondContact O-CA 3.29Å; L83-L142 HydrophobicContact CB-CD2 4.34Å; L83-L142 HydrophobicContact CD1-CD2 3.97Å; L83-L142 HydrophobicContact CD1-CG 4.44Å; V126-L142 HydrophobicContact CB-CB 4.44Å; V126-L142 PolarHBondContact N-O 2.96Å; V126-L142 PolarHBondContact O-N 3.27Å; L142-W285 HydrophobicContact CB-CH2 4.47Å; L142-W285 HydrophobicContact CD1-CE3 4.29Å; L142-W285 HydrophobicContact CD1-CH2 4.08Å; L142-W285 HydrophobicContact CD1-CZ3 3.7Å; L142-W285 HydrophobicContact CG-CH2 4.15Å; L142-W285 HydrophobicContact CG-CZ3 3.86Å; L142-I286 HydrophobicContact CD1-CG2 4.36Å; L142-Q289 HydrophobicContact CD1-CB 3.71Å; L142-Q289 HydrophobicContact CD1-CG 4.21Å; L142-V290 HydrophobicContact CD1-CG1 4.16Å
143	L	98.4	Very high	94.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.6	177.1	-60.1	72.6	0	0	0	108.4	L64 W81 V82 F89 V103 V122 A124 A141	L64-L143 HydrophobicContact CD1-CD2 4.34Å; L64-L143 HydrophobicContact CD2-CD2 3.72Å; W81-L143 WeakPolarHBondContact CA-O 3.34Å; V82-L143 HydrophobicContact CB-CB 4.27Å; V82-L143 HydrophobicContact CG1-CD1 4.31Å; V82-L143 PolarHBondContact N-O 2.99Å; V82-L143 PolarHBondContact O-N 2.74Å; F89-L143 HydrophobicContact CE1-CD2 4.01Å; F89-L143 HydrophobicContact CE1-CG 4.46Å; F89-L143 HydrophobicContact CE2-CD1 3.93Å; F89-L143 HydrophobicContact CZ-CD1 3.68Å; F89-L143 HydrophobicContact CZ-CD2 3.74Å; F89-L143 HydrophobicContact CZ-CG 3.96Å; V103-L143 HydrophobicContact CG2-CD2 4.16Å; V122-L143 HydrophobicContact CG1-CB 4.1Å; V122-L143 HydrophobicContact CG2-CD2 4.03Å; A124-L143 WeakPolarHBondContact O-CA 3.14Å; A141-L143 HydrophobicContact CB-CD1 4.46Å
144	H	97.7	Very high	94.3	Very high	65 Å²	65	37.9 Å²	37.9	30%	0.301	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	120.1	171.9	-172.7	-122.1	0	0	0	109.5	S80 W81 A123 A124	S80-H144 WeakPolarHBondContact O-CA 3.02Å; S80-H144 PolarHBondContact O-CD2 3.38Å; W81-H144 AromaticContact CE2-CD2 3.7Å; W81-H144 HydrophobicContact CE3-CB 4Å; W81-H144 HydrophobicContact CH2-CB 3.87Å; W81-H144 HydrophobicContact CZ2-CB 4.42Å; W81-H144 AromaticContact CZ2-CD2 3.75Å; W81-H144 HydrophobicContact CZ3-CB 3.63Å; A123-H144 PolarHBondContact N-O 3.06Å; A124-H144 HydrophobicContact CB-CB 4.28Å; A124-H144 PolarHBondContact N-O 2.73Å; A124-H144 PolarHBondContact O-N 3.24Å
145	L	97.8	Very high	94.5	Very high	2 Å²	2	37 Å²	37	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	136.8	-179.2	-54.9	-177.5	0	0	0	110.9	L76 S80 V82 V103 R120 S147 A149	L76-L145 HydrophobicContact CD1-CD1 4.46Å; S80-L145 PolarHBondContact O-N 2.8Å; V82-L145 HydrophobicContact CG2-CD1 4.48Å; V82-L145 HydrophobicContact CG2-CD2 4.27Å; V103-L145 HydrophobicContact CB-CD2 4.03Å; V103-L145 HydrophobicContact CG2-CD2 3.58Å; R120-L145 HydrophobicContact CB-CB 4.4Å; R120-L145 HydrophobicContact CB-CD1 4.37Å; R120-L145 HydrophobicContact CB-CD2 4.23Å; R120-L145 HydrophobicContact CG-CD1 4.33Å; L145-S147 WeakPolarHBondContact CB-O 3.44Å; L145-S147 PolarHBondContact O-N 3.02Å; L145-S147 VanDerWaalsContact O-N 3.13Å; L145-A149 HydrophobicContact CD1-CB 4.43Å
146	A	96.6	Very high	94.7	Very high	63 Å²	63	36 Å²	36	52%	0.521	23%	0.227	S	C	.	.	S	Bend	trans	-65.7	-14.7	179	0	0	0	0	0	114	A121 A123	A121-A146 HydrophobicContact CB-CB 4.25Å; A121-A146 VanDerWaalsContact O-CB 3.29Å; A121-A146 WeakPolarHBondContact O-CB 3.34Å; A121-A146 PolarHBondContact O-N 3.02Å; A123-A146 HydrophobicContact CB-CB 4.04Å
147	S	95.9	Very high	95	Very high	59 Å²	59	31.2 Å²	31.2	41%	0.413	20%	0.203	S	C	.	.	S	Bend	trans	-154.6	152.7	163.1	50.1	0	0	0	0	109.8	R120 L145	R120-S147 VanDerWaalsContact CD-O 3.29Å; R120-S147 WeakPolarHBondContact CD-O 3.16Å; R120-S147 WeakPolarHBondContact CD-OG 3.28Å; R120-S147 PolarHBondContact NE-O 2.76Å; L145-S147 WeakPolarHBondContact CB-O 3.44Å; L145-S147 PolarHBondContact O-N 3.02Å; L145-S147 VanDerWaalsContact O-N 3.13Å
148	P	96	Very high	95.2	Very high	72 Å²	72	30.9 Å²	30.9	47%	0.468	20%	0.199	S	C	.	.			trans	-59.3	146.2	-176.2	-24.4	33.1	0	0	0	113.9	P79 R120	P79-P148 HydrophobicContact CB-CB 4.18Å; P79-P148 CarbonylContact O-C 3.6Å; P79-P148 WeakPolarHBondContact O-CA 3.23Å; R120-P148 VanDerWaalsContact CZ-O 3.31Å; R120-P148 PolarHBondContact NE-O 2.86Å; R120-P148 PolarHBondContact NH2-O 3.45Å
149	A	95.6	Very high	95.3	Very high	9 Å²	9	30.7 Å²	30.7	7%	0.074	20%	0.198	C	C	.	.			trans	-58.7	142.4	166.7	0	0	0	0	0	111.3	L76 P79 L105 L145 L151 V155	L76-A149 HydrophobicContact CD1-CB 4.14Å; L76-A149 HydrophobicContact CD2-CB 4.14Å; P79-A149 WeakPolarHBondContact O-CB 3.48Å; P79-A149 PolarHBondContact O-N 3.39Å; L105-A149 HydrophobicContact CD2-CB 3.7Å; L145-A149 HydrophobicContact CD1-CB 4.43Å; A149-L151 PolarHBondContact O-N 3.38Å; A149-V155 HydrophobicContact CB-CG1 4.19Å
150	S	94.2	Very high	95.3	Very high	71 Å²	71	30.7 Å²	30.7	50%	0.497	20%	0.198	S	C	.	.			trans	-86	94.1	175.3	-61.7	0	0	0	0	109.2	H118 R120	H118-S150 PolarHBondContact CE1-N 3.03Å; H118-S150 PolarHBondContact CE1-O 2.86Å; H118-S150 VanDerWaalsContact CE1-O 3.29Å; H118-S150 PolarHBondContact NE2-N 2.84Å; R120-S150 PolarHBondContact NH2-OG 2.83Å
151	L	92.5	Very high	95.2	Very high	85 Å²	85	30.7 Å²	30.7	45%	0.445	20%	0.198	S	C	.	.			trans	-59.7	147.2	-178.8	-57.9	-173.1	0	0	0	112.4	L76 P79 A149 V155	L76-L151 HydrophobicContact CD2-CD2 3.97Å; P79-L151 HydrophobicContact CG-CD1 4.2Å; A149-L151 PolarHBondContact O-N 3.38Å; L151-V155 CarbonylContact C-O 3.51Å; L151-V155 VanDerWaalsContact CA-O 3.31Å; L151-V155 WeakPolarHBondContact CA-O 3.27Å; L151-V155 HydrophobicContact CD2-CG1 4.34Å
152	G	89.5	Confident	95	Very high	28 Å²	28	34.5 Å²	34.5	29%	0.289	21%	0.212	S	C	.	.	S	Bend	trans	-174	-156.2	-178.3	0	0	0	0	0	113	V155 R156	G152-V155 PolarHBondContact N-O 2.89Å; G152-R156 WeakPolarHBondContact O-CG 3.07Å; G152-R156 PolarHBondContact O-NE 3.41Å
153	P	86.8	Confident	94.6	Very high	95 Å²	95	36.6 Å²	36.6	62%	0.617	23%	0.229	S	C	*	.	S	Bend	trans	-64.4	-46.2	175.1	-23.2	35.1	0	0	0	112.8
154	A	89.1	Confident	94.2	Very high	30 Å²	30	41.6 Å²	41.6	25%	0.248	26%	0.264	C	S	.	.	S	Bend	trans	-90.8	-1.5	-177.4	0	0	0	0	0	114.7	P59 G106	P59-A154 WeakPolarHBondContact CA-O 3.1Å; G106-A154 WeakPolarHBondContact CA-O 3.35Å
155	V	94.1	Very high	93.8	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.024	26%	0.256	C	S	.	.			trans	-136.7	103.2	-178	-178.1	0	0	0	0	109.6	P59 L76 L105 G106 A149 L151 G152	P59-V155 CarbonylContact O-C 3.51Å; P59-V155 VanDerWaalsContact O-CA 3.26Å; P59-V155 WeakPolarHBondContact O-CA 3.43Å; L76-V155 HydrophobicContact CD2-CG1 3.82Å; L105-V155 HydrophobicContact CB-CG1 4.33Å; L105-V155 HydrophobicContact CB-CG2 4.15Å; L105-V155 HydrophobicContact CD2-CG1 4.18Å; G106-V155 VanDerWaalsContact CA-CG2 3.45Å; A149-V155 HydrophobicContact CB-CG1 4.19Å; L151-V155 CarbonylContact C-O 3.51Å; L151-V155 VanDerWaalsContact CA-O 3.31Å; L151-V155 WeakPolarHBondContact CA-O 3.27Å; L151-V155 HydrophobicContact CD2-CG1 4.34Å; G152-V155 PolarHBondContact N-O 2.89Å
156	R	94.7	Very high	93.3	Very high	59 Å²	59	47.6 Å²	47.6	22%	0.223	29%	0.285	C	S	.	.			trans	-147.3	149.6	-179.7	-59	-169.3	-167.3	164.1	17.1	110.4	E42 P59 W60 G152	E42-R156 IonicContact OE1-CZ 3.87Å; E42-R156 IonicContact OE1-NH2 3.72Å; E42-R156 PolarHBondContact OE1-NH2 2.86Å; P59-R156 CarbonylContact C-O 3.53Å; P59-R156 HydrophobicContact CB-CB 4.06Å; P59-R156 HydrophobicContact CB-CG 4.2Å; P59-R156 HydrophobicContact CG-CB 4.01Å; P59-R156 HydrophobicContact CG-CG 4.32Å; P59-R156 PolarHBondContact O-N 3.4Å; P59-R156 VanDerWaalsContact O-O 3.11Å; W60-R156 WeakPolarHBondContact CA-O 3.43Å; W60-R156 VanDerWaalsContact CB-O 3.31Å; W60-R156 WeakPolarHBondContact CB-O 3.47Å; W60-R156 PolarHBondContact N-O 3.4Å; G152-R156 WeakPolarHBondContact O-CG 3.07Å; G152-R156 PolarHBondContact O-NE 3.41Å
157	P	96.8	Very high	93	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.019	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-73.7	150.9	178.4	29.6	-33.5	0	0	0	112.7	L36 C38 G39 L76	L36-P157 HydrophobicContact CD1-CG 4.13Å; L36-P157 HydrophobicContact CD2-CB 4.08Å; L36-P157 HydrophobicContact CD2-CG 3.67Å; L36-P157 HydrophobicContact CG-CG 3.68Å; C38-P157 CarbonylContact C-O 3.53Å; C38-P157 VanDerWaalsContact CA-O 3.27Å; C38-P157 WeakPolarHBondContact CA-O 3.24Å; C38-P157 HydrophobicContact CB-CG 4.36Å; G39-P157 PolarHBondContact N-O 3.21Å; L76-P157 CarbonylContact O-C 3.57Å; L76-P157 WeakPolarHBondContact O-CA 3.26Å
158	V	97.6	Very high	92.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-84.6	153.3	167.4	71.1	0	0	0	0	110.7	W60 L76 I77 L160 V248 Q257	W60-V158 HydrophobicContact CB-CB 3.85Å; W60-V158 HydrophobicContact CB-CG1 4.47Å; W60-V158 HydrophobicContact CD2-CB 3.8Å; W60-V158 HydrophobicContact CD2-CG2 3.99Å; W60-V158 HydrophobicContact CE3-CB 4.2Å; W60-V158 HydrophobicContact CE3-CG2 4.44Å; W60-V158 HydrophobicContact CG-CB 3.66Å; W60-V158 HydrophobicContact CG-CG2 4.19Å; L76-V158 PolarHBondContact O-N 3.06Å; I77-V158 HydrophobicContact CG2-CG1 4.14Å; V158-L160 HydrophobicContact CG1-CD2 4.37Å; V158-V248 HydrophobicContact CG2-CG1 3.87Å; V158-Q257 HydrophobicContact CG1-CB 4.01Å; V158-Q257 HydrophobicContact CG2-CB 4.07Å
159	C	97.1	Very high	92.4	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-80.8	144.6	172.3	-57.7	0	0	0	0	110.9	C38 R254 W255 F256 Q257 P300	C38-C159 HydrophobicContact CB-CB 4.01Å; C38-C159 WeakPolarHBondContact CB-SG 3.38Å; C38-C159 PolarHBondContact O-SG 2.97Å; C38-C159 WeakPolarHBondContact SG-CA 3.29Å; C38-C159 WeakPolarHBondContact SG-CB 3.42Å; C38-C159 CovalentContact SG-SG 2.04Å; C38-C159 PolarHBondContact SG-SG 3.02Å; C159-R254 VanDerWaalsContact SG-CD 3.59Å; C159-W255 WeakPolarHBondContact CB-O 3.3Å; C159-W255 PolarHBondContact N-O 3.03Å; C159-F256 HydrophobicContact CB-CD1 3.69Å; C159-F256 HydrophobicContact CB-CE1 3.79Å; C159-F256 HydrophobicContact CB-CG 4.2Å; C159-F256 HydrophobicContact CB-CZ 4.35Å; C159-F256 WeakPolarHBondContact O-CA 3.23Å; C159-Q257 PolarHBondContact O-N 3.36Å; C159-P300 HydrophobicContact CB-CG 4.05Å
160	L	96.9	Very high	92.2	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-100.8	137.6	174.7	-59.4	-175.2	0	0	0	111.1	I77 L83 V158 Q257 V279 I286 P297 A298 F299	I77-L160 HydrophobicContact CB-CD1 4.23Å; I77-L160 HydrophobicContact CD1-CD1 4.12Å; I77-L160 HydrophobicContact CG2-CD1 4.24Å; I77-L160 HydrophobicContact CG2-CD2 3.84Å; I77-L160 HydrophobicContact CG2-CG 4.34Å; L83-L160 HydrophobicContact CD2-CD2 4.16Å; V158-L160 HydrophobicContact CG1-CD2 4.37Å; L160-Q257 HydrophobicContact CD2-CB 4.23Å; L160-V279 HydrophobicContact CD2-CG1 4.11Å; L160-I286 HydrophobicContact CD1-CD1 4.4Å; L160-I286 HydrophobicContact CD1-CG2 4.03Å; L160-P297 HydrophobicContact CD1-CB 3.89Å; L160-A298 PolarHBondContact N-O 3.06Å; L160-F299 HydrophobicContact CB-CD1 3.59Å; L160-F299 HydrophobicContact CB-CE1 3.42Å; L160-F299 VanDerWaalsContact CB-CE1 3.42Å; L160-F299 HydrophobicContact CB-CG 4.26Å; L160-F299 HydrophobicContact CB-CZ 3.99Å; L160-F299 HydrophobicContact CD1-CE1 3.89Å; L160-F299 HydrophobicContact CD1-CE2 4.22Å; L160-F299 HydrophobicContact CD1-CZ 3.61Å; L160-F299 HydrophobicContact CG-CE1 4.32Å; L160-F299 HydrophobicContact CG-CZ 4.44Å; L160-F299 WeakPolarHBondContact O-CA 3.46Å
161	P	95.4	Very high	92.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-74.1	151.1	177.3	31.3	-36	0	0	0	111.4	F167 Q257 V279 A280 Q302	P161-F167 HydrophobicContact CB-CE2 4.06Å; P161-F167 HydrophobicContact CB-CZ 4.05Å; P161-F167 HydrophobicContact CG-CE2 4.21Å; P161-F167 HydrophobicContact CG-CZ 4.41Å; P161-Q257 WeakPolarHBondContact CD-O 3.31Å; P161-Q257 VanDerWaalsContact CG-O 3.31Å; P161-Q257 WeakPolarHBondContact CG-O 3.5Å; P161-V279 HydrophobicContact CG-CB 4.36Å; P161-V279 HydrophobicContact CG-CG1 4.3Å; P161-A280 HydrophobicContact CB-CB 4.19Å; P161-A280 HydrophobicContact CG-CB 3.92Å; P161-Q302 VanDerWaalsContact CA-OE1 3.31Å
162	R	93.6	Very high	92.2	Very high	80 Å²	80	45.5 Å²	45.5	30%	0.302	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-78.8	151.7	173.7	-66.2	-174.3	-177.7	-167.4	-2	111.4	S164 H165 E283 F299 T301	R162-S164 PolarHBondContact O-N 3.07Å; R162-H165 WeakPolarHBondContact O-CB 3.49Å; R162-H165 PolarHBondContact O-N 2.86Å; R162-E283 VanDerWaalsContact CA-OE2 3.27Å; R162-E283 WeakPolarHBondContact CA-OE2 3.47Å; R162-F299 HydrophobicContact CG-CB 4.25Å; R162-F299 VanDerWaalsContact CZ-O 3.29Å; R162-F299 PolarHBondContact NE-O 3.38Å; R162-F299 PolarHBondContact NH2-O 2.97Å; R162-T301 PolarHBondContact NH1-OG1 2.8Å; R162-T301 PolarHBondContact NH2-OG1 2.75Å
163	A	91.5	Very high	92.5	Very high	43 Å²	43	44.1 Å²	44.1	36%	0.355	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-18	-179.8	0	0	0	0	0	114.8	R166 A280 E283	A163-R166 PolarHBondContact O-NH1 2.88Å; A163-A280 WeakPolarHBondContact CA-O 3.41Å; A163-A280 VanDerWaalsContact CB-O 3.31Å; A163-A280 WeakPolarHBondContact CB-O 3.36Å; A163-E283 HydrophobicContact CB-CB 4.19Å; A163-E283 PolarHBondContact N-OE2 2.77Å
164	S	88.5	Confident	93	Very high	106 Å²	106	40.2 Å²	40.2	74%	0.741	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-13.7	172.2	55.4	0	0	0	0	114.3	R162	R162-S164 PolarHBondContact O-N 3.07Å
165	H	90.1	Very high	93.3	Very high	28 Å²	28	38.9 Å²	38.9	13%	0.13	21%	0.209	C	C	.	.			trans	-79.8	146.1	179.9	176.6	85.2	0	0	0	111.7	R162 F167 E251 Q302	R162-H165 WeakPolarHBondContact O-CB 3.49Å; R162-H165 PolarHBondContact O-N 2.86Å; H165-F167 AromaticContact CD2-CD2 3.71Å; H165-F167 AromaticContact CD2-CE2 3.61Å; H165-F167 AromaticContact CD2-CG 3.96Å; H165-F167 AromaticContact CD2-CZ 3.79Å; H165-F167 AromaticContact NE2-CD1 3.21Å; H165-F167 WeakPolarHBondContact NE2-CD1 3.34Å; H165-F167 AromaticContact NE2-CD2 3.58Å; H165-F167 AromaticContact NE2-CE1 3.37Å; H165-F167 WeakPolarHBondContact NE2-CE1 3.3Å; H165-F167 AromaticContact NE2-CE2 3.71Å; H165-F167 AromaticContact NE2-CG 3.32Å; H165-F167 VanDerWaalsContact NE2-CG 3.32Å; H165-F167 WeakPolarHBondContact NE2-CG 3.41Å; H165-F167 AromaticContact NE2-CZ 3.62Å; H165-F167 PolarHBondContact NE2-N 2.85Å; H165-E251 IonicContact CE1-OE1 2.67Å; H165-E251 IonicContact CE1-OE2 4Å; H165-E251 PolarHBondContact CE1-OE2 3.03Å; H165-E251 IonicContact ND1-OE2 3.13Å; H165-E251 IonicContact NE2-OE2 2.83Å; H165-Q302 PolarHBondContact CD2-NE2 3Å; H165-Q302 PolarHBondContact CE1-NE2 3.21Å; H165-Q302 VanDerWaalsContact CG-CD 3.42Å; H165-Q302 VanDerWaalsContact CG-OE1 3.22Å; H165-Q302 PolarHBondContact ND1-NE2 2.77Å; H165-Q302 PolarHBondContact NE2-NE2 2.89Å
166	R	87.1	Confident	93.4	Very high	164 Å²	164	38.8 Å²	38.8	62%	0.619	21%	0.209	S	C	*	.			trans	-136.9	117	172.1	-64.5	-65.4	179.9	-83.9	1.8	108.5	A163	A163-R166 PolarHBondContact O-NH1 2.88Å
167	F	90.7	Very high	93.5	Very high	34 Å²	34	36 Å²	36	15%	0.149	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-66.6	146.4	170.6	-59.9	-84.2	0	0	0	109.4	P161 H165 L200 C249 F256 A258	P161-F167 HydrophobicContact CB-CE2 4.06Å; P161-F167 HydrophobicContact CB-CZ 4.05Å; P161-F167 HydrophobicContact CG-CE2 4.21Å; P161-F167 HydrophobicContact CG-CZ 4.41Å; H165-F167 AromaticContact CD2-CD2 3.71Å; H165-F167 AromaticContact CD2-CE2 3.61Å; H165-F167 AromaticContact CD2-CG 3.96Å; H165-F167 AromaticContact CD2-CZ 3.79Å; H165-F167 AromaticContact NE2-CD1 3.21Å; H165-F167 WeakPolarHBondContact NE2-CD1 3.34Å; H165-F167 AromaticContact NE2-CD2 3.58Å; H165-F167 AromaticContact NE2-CE1 3.37Å; H165-F167 WeakPolarHBondContact NE2-CE1 3.3Å; H165-F167 AromaticContact NE2-CE2 3.71Å; H165-F167 AromaticContact NE2-CG 3.32Å; H165-F167 VanDerWaalsContact NE2-CG 3.32Å; H165-F167 WeakPolarHBondContact NE2-CG 3.41Å; H165-F167 AromaticContact NE2-CZ 3.62Å; H165-F167 PolarHBondContact NE2-N 2.85Å; F167-L200 HydrophobicContact CB-CD1 3.33Å; F167-L200 HydrophobicContact CD2-CD1 4.49Å; F167-L200 HydrophobicContact CG-CD1 3.97Å; F167-C249 HydrophobicContact CD1-CB 3.94Å; F167-C249 HydrophobicContact CE1-CB 3.77Å; F167-F256 HydrophobicContact CE1-CB 4.24Å; F167-F256 HydrophobicContact CZ-CB 3.95Å; F167-A258 HydrophobicContact CD2-CB 3.64Å; F167-A258 HydrophobicContact CE1-CB 4.45Å; F167-A258 HydrophobicContact CE2-CB 3.35Å; F167-A258 HydrophobicContact CG-CB 4.32Å; F167-A258 HydrophobicContact CZ-CB 3.8Å
168	V	89.9	Confident	93.4	Very high	90 Å²	90	36.5 Å²	36.5	55%	0.545	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-82.5	147	-174.9	-173.1	0	0	0	0	110.6	G170 T171	V168-G170 PolarHBondContact O-N 2.98Å; V168-T171 PolarHBondContact N-OG1 2.92Å; V168-T171 VanDerWaalsContact O-CB 3.23Å; V168-T171 WeakPolarHBondContact O-CB 3.3Å; V168-T171 PolarHBondContact O-N 2.86Å; V168-T171 VanDerWaalsContact O-N 3.12Å; V168-T171 PolarHBondContact O-OG1 3.24Å
169	H	89.8	Confident	93	Very high	99 Å²	99	36.8 Å²	36.8	46%	0.458	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	138	170.5	176.6	45.8	0	0	0	111.2	T171 L200 L201 G202	H169-T171 VanDerWaalsContact C-N 3.26Å; H169-T171 PolarHBondContact O-N 3.4Å; H169-L200 PolarHBondContact ND1-O 3.06Å; H169-L201 WeakPolarHBondContact ND1-CA 3.16Å; H169-G202 PolarHBondContact ND1-N 3.14Å
170	G	90.3	Very high	92.5	Very high	31 Å²	31	38.6 Å²	38.6	32%	0.32	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	0.7	-177.5	0	0	0	0	0	114.9	V168 A172 R199 L200	V168-G170 PolarHBondContact O-N 2.98Å; G170-A172 PolarHBondContact O-N 3.05Å; G170-R199 VanDerWaalsContact O-CD 3.31Å; G170-R199 WeakPolarHBondContact O-CD 3.33Å; G170-R199 PolarHBondContact O-NH1 2.87Å; G170-L200 PolarHBondContact N-O 2.83Å
171	T	93.4	Very high	91.6	Very high	31 Å²	31	41.1 Å²	41.1	19%	0.19	23%	0.228	C	C	.	.			trans	-56.9	133.3	170.7	-60.3	0	0	0	0	109.8	V168 H169 R199 L200 C249	V168-T171 PolarHBondContact N-OG1 2.92Å; V168-T171 VanDerWaalsContact O-CB 3.23Å; V168-T171 WeakPolarHBondContact O-CB 3.3Å; V168-T171 PolarHBondContact O-N 2.86Å; V168-T171 VanDerWaalsContact O-N 3.12Å; V168-T171 PolarHBondContact O-OG1 3.24Å; H169-T171 VanDerWaalsContact C-N 3.26Å; H169-T171 PolarHBondContact O-N 3.4Å; T171-R199 WeakPolarHBondContact O-CA 3.27Å; T171-L200 PolarHBondContact O-N 2.87Å; T171-L200 VanDerWaalsContact O-N 3.15Å; T171-C249 HydrophobicContact CG2-CB 4.34Å
172	A	94.3	Very high	90.5	Very high	30 Å²	30	43 Å²	43	25%	0.248	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	123.7	173.7	0	0	0	0	0	109.5	G170 E197	G170-A172 PolarHBondContact O-N 3.05Å; A172-E197 HydrophobicContact CB-CG 4.11Å
173	C	95.8	Very high	89.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	159.5	176	-53.3	0	0	0	0	108.9	E197 L198 L247 V248 C249	C173-E197 CarbonylContact O-C 3.53Å; C173-E197 WeakPolarHBondContact O-CA 3.27Å; C173-L198 PolarHBondContact N-O 2.97Å; C173-L198 PolarHBondContact O-N 3.37Å; C173-L198 VanDerWaalsContact O-O 3.07Å; C173-L247 HydrophobicContact CB-CD1 3.95Å; C173-L247 HydrophobicContact CB-CG 4.04Å; C173-V248 CarbonylContact C-O 3.56Å; C173-V248 WeakPolarHBondContact CA-O 3.43Å; C173-V248 VanDerWaalsContact CB-O 3.3Å; C173-V248 WeakPolarHBondContact CB-O 3.3Å; C173-C249 HydrophobicContact CB-CB 4.07Å; C173-C249 WeakPolarHBondContact CB-SG 3.35Å; C173-C249 WeakPolarHBondContact SG-CB 3.23Å; C173-C249 CovalentContact SG-SG 2.03Å; C173-C249 PolarHBondContact SG-SG 2.74Å
174	W	95.8	Very high	88.7	Confident	12 Å²	12	43.4 Å²	43.4	5%	0.045	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.8	-173.4	-70	74.7	0	0	0	110	I47 W58 E195 V196 E197 L247 V248 W255	I47-W174 WeakPolarHBondContact O-CH2 3.47Å; W58-W174 HydrophobicContact CH2-CB 3.55Å; W58-W174 HydrophobicContact CH2-CD2 4.04Å; W58-W174 HydrophobicContact CH2-CE3 4.49Å; W58-W174 AromaticContact CH2-CG 3.62Å; W58-W174 HydrophobicContact CH2-CG 3.62Å; W58-W174 HydrophobicContact CZ2-CB 3.94Å; W58-W174 AromaticContact CZ2-CD2 3.96Å; W58-W174 HydrophobicContact CZ2-CD2 3.96Å; W58-W174 AromaticContact CZ2-CE3 3.95Å; W58-W174 HydrophobicContact CZ2-CE3 3.95Å; W58-W174 AromaticContact CZ2-CG 3.98Å; W58-W174 HydrophobicContact CZ2-CG 3.98Å; W58-W174 HydrophobicContact CZ3-CB 4.24Å; W174-E195 HydrophobicContact CE3-CB 3.94Å; W174-E195 HydrophobicContact CE3-CG 4.23Å; W174-E195 HydrophobicContact CZ3-CB 4.07Å; W174-E195 HydrophobicContact CZ3-CG 3.84Å; W174-V196 WeakPolarHBondContact CA-O 3.2Å; W174-E197 HydrophobicContact CD2-CB 4.19Å; W174-E197 HydrophobicContact CE3-CB 4.4Å; W174-E197 HydrophobicContact CH2-CB 4.12Å; W174-E197 HydrophobicContact CZ2-CB 3.84Å; W174-E197 HydrophobicContact CZ2-CG 4.24Å; W174-E197 HydrophobicContact CZ3-CB 4.38Å; W174-L247 CarbonylContact O-C 3.53Å; W174-L247 WeakPolarHBondContact O-CA 3.27Å; W174-V248 HydrophobicContact CB-CG2 4.16Å; W174-V248 PolarHBondContact N-O 3.17Å; W174-V248 PolarHBondContact O-N 2.73Å; W174-W255 AromaticContact CD1-CH2 3.55Å; W174-W255 AromaticContact CD1-CZ3 3.66Å; W174-W255 HydrophobicContact CG-CH2 4.24Å; W174-W255 HydrophobicContact CG-CZ3 4.32Å; W174-W255 AromaticContact NE1-CH2 3.97Å
175	A	96.6	Very high	88.1	Confident	2 Å²	2	39.4 Å²	39.4	2%	0.017	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	146.5	168	0	0	0	0	0	109.4	V196 L198 T238 L247	A175-V196 HydrophobicContact CB-CG1 4.05Å; A175-V196 PolarHBondContact N-O 2.86Å; A175-V196 PolarHBondContact O-N 3.31Å; A175-L198 HydrophobicContact CB-CD1 4.04Å; A175-T238 HydrophobicContact CB-CG2 3.49Å; A175-T238 VanDerWaalsContact CB-CG2 3.49Å; A175-L247 HydrophobicContact CB-CD1 4.06Å
176	T	96.1	Very high	87.8	Confident	3 Å²	3	42 Å²	42	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	136.6	-171.1	48.9	0	0	0	0	112	W58 Q61 Q194 E195	W58-T176 HydrophobicContact CB-CG2 4.4Å; W58-T176 HydrophobicContact CD2-CG2 3.73Å; W58-T176 HydrophobicContact CE3-CG2 4.48Å; W58-T176 HydrophobicContact CG-CG2 3.65Å; W58-T176 HydrophobicContact CZ2-CG2 4.42Å; Q61-T176 PolarHBondContact NE2-O 2.86Å; Q61-T176 PolarHBondContact OE1-O 3Å; Q61-T176 PolarHBondContact OE1-OG1 2.85Å; T176-Q194 WeakPolarHBondContact CA-O 3.18Å; T176-E195 HydrophobicContact CG2-CB 4.05Å
177	G	95.8	Very high	87.7	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.8	-174.8	-179.1	0	0	0	0	0	115.5	L193 Q194 D242	G177-L193 WeakPolarHBondContact O-CD1 3.25Å; G177-Q194 PolarHBondContact N-O 3.21Å; G177-Q194 PolarHBondContact O-N 2.83Å; G177-D242 WeakPolarHBondContact CA-OD1 3.03Å
178	W	94.8	Very high	87.3	Confident	12 Å²	12	35.9 Å²	35.9	5%	0.045	22%	0.222	C	C	.	.	S	Bend	trans	-119.3	22.4	177.3	-62.4	-85.9	0	0	0	111.4	Q61 H70 V107 H108 Q110 L187 W191 L193 D242	Q61-W178 HydrophobicContact CB-CH2 4.42Å; Q61-W178 HydrophobicContact CG-CE3 4.5Å; Q61-W178 HydrophobicContact CG-CH2 3.48Å; Q61-W178 VanDerWaalsContact CG-CH2 3.48Å; Q61-W178 HydrophobicContact CG-CZ2 4.41Å; Q61-W178 HydrophobicContact CG-CZ3 3.53Å; H70-W178 AromaticContact CE1-CE3 3.87Å; V107-W178 HydrophobicContact CG1-CH2 3.87Å; V107-W178 HydrophobicContact CG1-CZ2 3.71Å; V107-W178 WeakPolarHBondContact O-CZ2 3.31Å; H108-W178 PolarHBondContact O-NE1 3.06Å; Q110-W178 HydrophobicContact CG-CG 4.21Å; W178-L187 HydrophobicContact CB-CD2 3.92Å; W178-L187 HydrophobicContact CG-CD2 4.41Å; W178-W191 PolarHBondContact NE1-O 2.85Å; W178-L193 HydrophobicContact CD2-CD1 4.14Å; W178-L193 HydrophobicContact CE3-CD1 4.4Å; W178-L193 HydrophobicContact CH2-CD1 4.16Å; W178-L193 HydrophobicContact CZ2-CB 3.97Å; W178-L193 HydrophobicContact CZ2-CD1 3.85Å; W178-L193 HydrophobicContact CZ2-CD2 4.35Å; W178-L193 HydrophobicContact CZ2-CG 4.28Å; W178-L193 HydrophobicContact CZ3-CD1 4.41Å; W178-D242 PolarHBondContact N-OD1 2.7Å
179	G	89.8	Confident	86.9	Confident	6 Å²	6	37 Å²	37	6%	0.062	23%	0.225	C	C	.	.	S	Bend	trans	-68.6	176.2	174.1	0	0	0	0	0	113.2	V181 L187 Q240 D242	G179-V181 PolarHBondContact O-N 3.08Å; G179-L187 WeakPolarHBondContact O-CB 3.38Å; G179-Q240 CarbonylContact C-O 3.4Å; G179-Q240 WeakPolarHBondContact CA-O 3.36Å; G179-D242 WeakPolarHBondContact CA-OD1 3.48Å; G179-D242 PolarHBondContact N-OD1 3.03Å
180	D	85.4	Confident	86.9	Confident	39 Å²	39	35 Å²	35	21%	0.209	22%	0.221	C	C	.	.			trans	-50.8	134.6	174.2	-65.8	-11.3	0	0	0	110.4	Q182 D185 P186 C239 Q240	D180-Q182 WeakPolarHBondContact CB-O 2.91Å; D180-Q182 PolarHBondContact O-N 3.1Å; D180-D185 CarbonylContact C-O 3.56Å; D180-D185 WeakPolarHBondContact CA-O 3.5Å; D180-D185 WeakPolarHBondContact CB-O 3.47Å; D180-P186 WeakPolarHBondContact OD1-CA 3.17Å; D180-C239 HydrophobicContact CB-CB 4.37Å; D180-C239 VanDerWaalsContact O-CB 3.3Å; D180-C239 WeakPolarHBondContact O-CB 3.46Å; D180-Q240 PolarHBondContact N-O 2.93Å
181	V	78.4	Confident	86.9	Confident	52 Å²	52	38.7 Å²	38.7	32%	0.315	23%	0.225	S	C	.	.	S	Bend	trans	-68.5	-16.9	-179.3	-75.4	0	0	0	0	112.4	G179 D185 L187 Q194	G179-V181 PolarHBondContact O-N 3.08Å; V181-D185 HydrophobicContact CG2-CB 4.28Å; V181-D185 VanDerWaalsContact CG2-O 3.23Å; V181-D185 WeakPolarHBondContact CG2-O 3.45Å; V181-D185 VanDerWaalsContact CG2-OD2 3.3Å; V181-D185 WeakPolarHBondContact CG2-OD2 3.32Å; V181-D185 PolarHBondContact N-O 3.48Å; V181-L187 HydrophobicContact CG1-CB 4.42Å; V181-L187 HydrophobicContact CG1-CD1 3.5Å; V181-Q194 HydrophobicContact CG1-CG 4.34Å
182	Q	73	Confident	86.8	Confident	41 Å²	41	38.4 Å²	38.4	19%	0.192	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-155.2	173.7	174.8	-40.5	176.9	71.5	0	0	109.7	D180 A184 D185 C239 P547 S550 H551	D180-Q182 WeakPolarHBondContact CB-O 2.91Å; D180-Q182 PolarHBondContact O-N 3.1Å; Q182-A184 PolarHBondContact O-N 3.39Å; Q182-D185 HydrophobicContact CB-CB 3.92Å; Q182-D185 HydrophobicContact CG-CB 4.17Å; Q182-D185 PolarHBondContact NE2-OD2 3.18Å; Q182-D185 PolarHBondContact O-N 3.15Å; Q182-D185 VanDerWaalsContact O-N 3.1Å; Q182-C239 VanDerWaalsContact C-SG 3.57Å; Q182-C239 PolarHBondContact O-SG 3.25Å; Q182-P547 PolarHBondContact NE2-O 2.64Å; Q182-S550 PolarHBondContact OE1-OG 3.12Å; Q182-H551 VanDerWaalsContact NE2-N 3.13Å
183	E	74.8	Confident	86.8	Confident	48 Å²	48	37.4 Å²	37.4	22%	0.224	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	113.2	173.4	-163.5	169.3	173.3	0	0	112	D185 G266 C267 R269 H432	E183-D185 VanDerWaalsContact C-N 3.31Å; E183-D185 PolarHBondContact O-N 3.13Å; E183-G266 VanDerWaalsContact OE1-CA 3.32Å; E183-G266 WeakPolarHBondContact OE1-CA 3.11Å; E183-G266 WeakPolarHBondContact OE2-CA 3.31Å; E183-C267 HydrophobicContact CB-CB 3.97Å; E183-C267 PolarHBondContact OE2-N 2.04Å; E183-R269 IonicContact OE1-CZ 3.81Å; E183-R269 IonicContact OE1-NE 3.59Å; E183-R269 PolarHBondContact OE1-NE 3.2Å; E183-R269 IonicContact OE1-NH2 2.85Å; E183-R269 PolarHBondContact OE1-NH2 2.88Å; E183-R269 IonicContact OE2-CZ 3.89Å; E183-R269 IonicContact OE2-NE 2.98Å; E183-R269 PolarHBondContact OE2-NE 3.15Å; E183-R269 IonicContact OE2-NH2 2.82Å; E183-R269 PolarHBondContact OE2-NH2 2.75Å; E183-H432 IonicContact OE2-CE1 3.89Å
184	A	72.2	Confident	86.7	Confident	82 Å²	82	38.8 Å²	38.8	68%	0.678	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	24.5	-175.9	0	0	0	0	0	116.2	Q182	Q182-A184 PolarHBondContact O-N 3.39Å
185	D	75.8	Confident	86.5	Confident	22 Å²	22	38.7 Å²	38.7	12%	0.118	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-117.9	94	170	-174.3	35.4	0	0	0	110.6	D180 V181 Q182 E183 H551	D180-D185 CarbonylContact C-O 3.56Å; D180-D185 WeakPolarHBondContact CA-O 3.5Å; D180-D185 WeakPolarHBondContact CB-O 3.47Å; V181-D185 HydrophobicContact CG2-CB 4.28Å; V181-D185 VanDerWaalsContact CG2-O 3.23Å; V181-D185 WeakPolarHBondContact CG2-O 3.45Å; V181-D185 VanDerWaalsContact CG2-OD2 3.3Å; V181-D185 WeakPolarHBondContact CG2-OD2 3.32Å; V181-D185 PolarHBondContact N-O 3.48Å; Q182-D185 HydrophobicContact CB-CB 3.92Å; Q182-D185 HydrophobicContact CG-CB 4.17Å; Q182-D185 PolarHBondContact NE2-OD2 3.18Å; Q182-D185 PolarHBondContact O-N 3.15Å; Q182-D185 VanDerWaalsContact O-N 3.1Å; E183-D185 VanDerWaalsContact C-N 3.31Å; E183-D185 PolarHBondContact O-N 3.13Å; D185-H551 IonicContact OD1-ND1 2.74Å; D185-H551 WeakPolarHBondContact OD2-CB 3.25Å; D185-H551 IonicContact OD2-CG 2.86Å; D185-H551 IonicContact OD2-ND1 3.9Å; D185-H551 PolarHBondContact OD2-ND1 3.45Å
186	P	83.8	Confident	86.3	Confident	83 Å²	83	39.3 Å²	39.3	54%	0.539	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-60.5	143.4	-176.5	-26.8	36.3	0	0	0	114	D180	D180-P186 WeakPolarHBondContact OD1-CA 3.17Å
187	L	85.1	Confident	86.2	Confident	10 Å²	10	40 Å²	40	5%	0.052	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-51.8	125.2	175.1	-177.8	71.5	0	0	0	110.9	W178 G179 V181 W191 Q194	W178-L187 HydrophobicContact CB-CD2 3.92Å; W178-L187 HydrophobicContact CG-CD2 4.41Å; G179-L187 WeakPolarHBondContact O-CB 3.38Å; V181-L187 HydrophobicContact CG1-CB 4.42Å; V181-L187 HydrophobicContact CG1-CD1 3.5Å; L187-W191 HydrophobicContact CD2-CB 3.86Å; L187-W191 HydrophobicContact CD2-CG 4.42Å; L187-W191 HydrophobicContact CG-CB 4.47Å; L187-W191 PolarHBondContact O-NE1 2.84Å; L187-Q194 HydrophobicContact CD1-CG 3.67Å
188	P	82.4	Confident	86.1	Confident	59 Å²	59	39.9 Å²	39.9	38%	0.383	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-71.2	155.5	-179.7	27.2	-35.7	0	0	0	112.9	W191	P188-W191 WeakPolarHBondContact O-CA 3.47Å; P188-W191 PolarHBondContact O-N 3.04Å
189	L	81.8	Confident	86.1	Confident	115 Å²	115	43.3 Å²	43.3	60%	0.602	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	137.1	167.5	-86	164.8	0	0	0	111	D111 W191	D111-L189 HydrophobicContact CB-CD2 4.08Å; L189-W191 HydrophobicContact CD2-CD2 3.98Å; L189-W191 HydrophobicContact CD2-CE3 3.64Å; L189-W191 HydrophobicContact CD2-CH2 3.48Å; L189-W191 VanDerWaalsContact CD2-CH2 3.48Å; L189-W191 HydrophobicContact CD2-CZ2 3.79Å; L189-W191 HydrophobicContact CD2-CZ3 3.39Å; L189-W191 HydrophobicContact CG-CH2 4.13Å; L189-W191 HydrophobicContact CG-CZ2 3.98Å; L189-W191 HydrophobicContact CG-CZ3 4.44Å
190	P	88.8	Confident	86.3	Confident	56 Å²	56	43.5 Å²	43.5	36%	0.364	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	cis	-93.2	29.4	11.4	38.9	-38	0	0	0	114.3	S109 Q110 D111 V192	S109-P190 WeakPolarHBondContact OG-CB 3.44Å; S109-P190 PolarHBondContact OG-O 3.44Å; Q110-P190 PolarHBondContact N-O 2.88Å; D111-P190 HydrophobicContact CB-CB 4.01Å; D111-P190 PolarHBondContact N-O 3.06Å; P190-V192 HydrophobicContact CG-CG2 3.93Å
191	W	90.6	Very high	86.6	Confident	109 Å²	109	42.6 Å²	42.6	41%	0.413	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	61.7	-178.1	-56	-62.7	0	0	0	113.2	S109 Q110 D111 W178 L187 P188 L189	S109-W191 WeakPolarHBondContact CA-O 3.47Å; Q110-W191 HydrophobicContact CB-CB 3.87Å; Q110-W191 HydrophobicContact CB-CE3 4.05Å; Q110-W191 HydrophobicContact CG-CB 3.86Å; Q110-W191 PolarHBondContact N-O 3.05Å; Q110-W191 VanDerWaalsContact N-O 3.12Å; D111-W191 HydrophobicContact CB-CE3 3.93Å; D111-W191 HydrophobicContact CB-CZ3 4.07Å; W178-W191 PolarHBondContact NE1-O 2.85Å; L187-W191 HydrophobicContact CD2-CB 3.86Å; L187-W191 HydrophobicContact CD2-CG 4.42Å; L187-W191 HydrophobicContact CG-CB 4.47Å; L187-W191 PolarHBondContact O-NE1 2.84Å; P188-W191 WeakPolarHBondContact O-CA 3.47Å; P188-W191 PolarHBondContact O-N 3.04Å; L189-W191 HydrophobicContact CD2-CD2 3.98Å; L189-W191 HydrophobicContact CD2-CE3 3.64Å; L189-W191 HydrophobicContact CD2-CH2 3.48Å; L189-W191 VanDerWaalsContact CD2-CH2 3.48Å; L189-W191 HydrophobicContact CD2-CZ2 3.79Å; L189-W191 HydrophobicContact CD2-CZ3 3.39Å; L189-W191 HydrophobicContact CG-CH2 4.13Å; L189-W191 HydrophobicContact CG-CZ2 3.98Å; L189-W191 HydrophobicContact CG-CZ3 4.44Å
192	V	92.1	Very high	87.2	Confident	24 Å²	24	41.2 Å²	41.2	15%	0.145	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-72.5	133.4	178.2	-174.9	0	0	0	0	110.4	D52 H108 P190 Q194	D52-V192 HydrophobicContact CB-CG1 3.9Å; H108-V192 VanDerWaalsContact CE1-CG1 3.4Å; H108-V192 WeakPolarHBondContact CE1-CG1 3.21Å; P190-V192 HydrophobicContact CG-CG2 3.93Å; V192-Q194 PolarHBondContact O-N 2.77Å; V192-Q194 PolarHBondContact O-NE2 2.92Å
193	L	93.6	Very high	87.8	Confident	9 Å²	9	46.2 Å²	46.2	5%	0.047	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-53.3	124.1	174.4	174.8	61.6	0	0	0	110.4	A53 W58 Q61 H108 G177 W178	A53-L193 HydrophobicContact CB-CB 4.36Å; A53-L193 HydrophobicContact CB-CD2 4.19Å; A53-L193 HydrophobicContact CB-CG 3.95Å; A53-L193 VanDerWaalsContact CB-O 3.26Å; A53-L193 WeakPolarHBondContact CB-O 3.45Å; A53-L193 PolarHBondContact N-O 3.19Å; W58-L193 HydrophobicContact CB-CD2 4.37Å; Q61-L193 HydrophobicContact CB-CD2 4.44Å; Q61-L193 HydrophobicContact CG-CD1 3.83Å; Q61-L193 HydrophobicContact CG-CD2 4.31Å; H108-L193 VanDerWaalsContact O-CB 3.31Å; H108-L193 WeakPolarHBondContact O-CB 3.36Å; H108-L193 PolarHBondContact O-N 2.86Å; G177-L193 WeakPolarHBondContact O-CD1 3.25Å; W178-L193 HydrophobicContact CD2-CD1 4.14Å; W178-L193 HydrophobicContact CE3-CD1 4.4Å; W178-L193 HydrophobicContact CH2-CD1 4.16Å; W178-L193 HydrophobicContact CZ2-CB 3.97Å; W178-L193 HydrophobicContact CZ2-CD1 3.85Å; W178-L193 HydrophobicContact CZ2-CD2 4.35Å; W178-L193 HydrophobicContact CZ2-CG 4.28Å; W178-L193 HydrophobicContact CZ3-CD1 4.41Å
194	Q	93.8	Very high	88.5	Confident	29 Å²	29	47 Å²	47	14%	0.136	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	151.2	176.1	-59.7	-57.5	-67.8	0	0	111.4	S51 D52 T176 G177 V181 L187 V192	S51-Q194 WeakPolarHBondContact O-CA 3.47Å; S51-Q194 PolarHBondContact O-OE1 3.36Å; D52-Q194 PolarHBondContact OD1-NE2 3.14Å; T176-Q194 WeakPolarHBondContact CA-O 3.18Å; G177-Q194 PolarHBondContact N-O 3.21Å; G177-Q194 PolarHBondContact O-N 2.83Å; V181-Q194 HydrophobicContact CG1-CG 4.34Å; L187-Q194 HydrophobicContact CD1-CG 3.67Å; V192-Q194 PolarHBondContact O-N 2.77Å; V192-Q194 PolarHBondContact O-NE2 2.92Å
195	E	92.6	Very high	89.2	Confident	10 Å²	10	45.2 Å²	45.2	5%	0.047	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	140.9	170.1	63.3	178.9	-133.5	0	0	110.9	G50 S51 A53 W58 W174 T176	G50-E195 WeakPolarHBondContact CA-O 3.03Å; S51-E195 PolarHBondContact N-O 3.2Å; S51-E195 PolarHBondContact O-N 3.05Å; A53-E195 VanDerWaalsContact CA-OE2 3.26Å; A53-E195 WeakPolarHBondContact CA-OE2 3.04Å; A53-E195 HydrophobicContact CB-CB 3.97Å; A53-E195 HydrophobicContact CB-CG 3.9Å; A53-E195 VanDerWaalsContact CB-OE2 3.26Å; A53-E195 WeakPolarHBondContact CB-OE2 3.11Å; W58-E195 HydrophobicContact CZ2-CB 4.41Å; W58-E195 PolarHBondContact NE1-OE2 2.98Å; W174-E195 HydrophobicContact CE3-CB 3.94Å; W174-E195 HydrophobicContact CE3-CG 4.23Å; W174-E195 HydrophobicContact CZ3-CB 4.07Å; W174-E195 HydrophobicContact CZ3-CG 3.84Å; T176-E195 HydrophobicContact CG2-CB 4.05Å
196	V	91.6	Very high	89.9	Confident	15 Å²	15	44.2 Å²	44.2	9%	0.091	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	129.6	177	64.1	0	0	0	0	112.4	W174 A175 L198 R236	W174-V196 WeakPolarHBondContact CA-O 3.2Å; A175-V196 HydrophobicContact CB-CG1 4.05Å; A175-V196 PolarHBondContact N-O 2.86Å; A175-V196 PolarHBondContact O-N 3.31Å; V196-L198 HydrophobicContact CG1-CD2 4.21Å; V196-L198 HydrophobicContact CG1-CG 4.25Å; V196-L198 HydrophobicContact CG2-CD2 3.96Å; V196-L198 PolarHBondContact O-N 3.17Å; V196-R236 HydrophobicContact CG2-CB 3.88Å; V196-R236 HydrophobicContact CG2-CG 4.18Å
197	E	93.7	Very high	90.2	Very high	17 Å²	17	42.5 Å²	42.5	8%	0.079	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	114.4	173.1	-168.1	-158.9	90.6	0	0	110.9	A172 C173 W174 R199 Y231	A172-E197 HydrophobicContact CB-CG 4.11Å; C173-E197 CarbonylContact O-C 3.53Å; C173-E197 WeakPolarHBondContact O-CA 3.27Å; W174-E197 HydrophobicContact CD2-CB 4.19Å; W174-E197 HydrophobicContact CE3-CB 4.4Å; W174-E197 HydrophobicContact CH2-CB 4.12Å; W174-E197 HydrophobicContact CZ2-CB 3.84Å; W174-E197 HydrophobicContact CZ2-CG 4.24Å; W174-E197 HydrophobicContact CZ3-CB 4.38Å; E197-R199 IonicContact OE1-CZ 3.63Å; E197-R199 VanDerWaalsContact OE1-CZ 3.3Å; E197-R199 IonicContact OE1-NE 2.78Å; E197-R199 PolarHBondContact OE1-NE 2.85Å; E197-R199 VanDerWaalsContact OE1-NE 3.12Å; E197-R199 IonicContact OE1-NH2 2.7Å; E197-R199 PolarHBondContact OE1-NH2 3.43Å; E197-R199 IonicContact OE2-NH2 3.66Å; E197-R199 PolarHBondContact OE2-NH2 2.91Å; E197-Y231 VanDerWaalsContact O-CE2 3.31Å; E197-Y231 WeakPolarHBondContact O-CE2 3.08Å; E197-Y231 PolarHBondContact O-OH 2.88Å; E197-Y231 PolarHBondContact OE1-OH 2.92Å; E197-Y231 VanDerWaalsContact OE1-OH 3.13Å
198	L	94.1	Very high	90.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	162.8	173.4	-53.6	-177.7	0	0	0	111.2	C173 A175 V196 A229 R236 L247 F276	C173-L198 PolarHBondContact N-O 2.97Å; C173-L198 PolarHBondContact O-N 3.37Å; C173-L198 VanDerWaalsContact O-O 3.07Å; A175-L198 HydrophobicContact CB-CD1 4.04Å; V196-L198 HydrophobicContact CG1-CD2 4.21Å; V196-L198 HydrophobicContact CG1-CG 4.25Å; V196-L198 HydrophobicContact CG2-CD2 3.96Å; V196-L198 PolarHBondContact O-N 3.17Å; L198-A229 HydrophobicContact CB-CB 3.93Å; L198-A229 HydrophobicContact CD1-CB 4.19Å; L198-R236 HydrophobicContact CD2-CB 3.94Å; L198-L247 HydrophobicContact CB-CD1 4.45Å; L198-L247 HydrophobicContact CD1-CD1 4.25Å; L198-F276 HydrophobicContact CD1-CE2 4.36Å; L198-F276 HydrophobicContact CD1-CZ 3.9Å
199	R	94.1	Very high	90.3	Very high	83 Å²	83	41 Å²	41	31%	0.313	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.3	178.4	-63	-71.8	167.1	158.1	-4.7	110.8	G170 T171 E197 L201 A229 G230 Y231	G170-R199 VanDerWaalsContact O-CD 3.31Å; G170-R199 WeakPolarHBondContact O-CD 3.33Å; G170-R199 PolarHBondContact O-NH1 2.87Å; T171-R199 WeakPolarHBondContact O-CA 3.27Å; E197-R199 IonicContact OE1-CZ 3.63Å; E197-R199 VanDerWaalsContact OE1-CZ 3.3Å; E197-R199 IonicContact OE1-NE 2.78Å; E197-R199 PolarHBondContact OE1-NE 2.85Å; E197-R199 VanDerWaalsContact OE1-NE 3.12Å; E197-R199 IonicContact OE1-NH2 2.7Å; E197-R199 PolarHBondContact OE1-NH2 3.43Å; E197-R199 IonicContact OE2-NH2 3.66Å; E197-R199 PolarHBondContact OE2-NH2 2.91Å; R199-L201 PolarHBondContact O-N 2.75Å; R199-A229 VanDerWaalsContact O-CA 3.28Å; R199-A229 WeakPolarHBondContact O-CA 3.28Å; R199-G230 PolarHBondContact O-N 2.89Å; R199-Y231 HydrophobicContact CG-CD1 4.41Å; R199-Y231 HydrophobicContact CG-CE1 3.64Å; R199-Y231 HydrophobicContact CG-CE2 4.3Å; R199-Y231 WeakPolarHBondContact CG-OH 3.46Å
200	L	95.1	Very high	90.4	Very high	11 Å²	11	35.5 Å²	35.5	6%	0.058	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	125	176.5	-68.4	-179.2	0	0	0	111.2	F167 H169 G170 T171 L227 A229 L247	F167-L200 HydrophobicContact CB-CD1 3.33Å; F167-L200 HydrophobicContact CD2-CD1 4.49Å; F167-L200 HydrophobicContact CG-CD1 3.97Å; H169-L200 PolarHBondContact ND1-O 3.06Å; G170-L200 PolarHBondContact N-O 2.83Å; T171-L200 PolarHBondContact O-N 2.87Å; T171-L200 VanDerWaalsContact O-N 3.15Å; L200-L227 HydrophobicContact CD2-CD1 3.72Å; L200-L227 HydrophobicContact CD2-CD2 4.34Å; L200-A229 HydrophobicContact CD2-CB 4.18Å; L200-L247 HydrophobicContact CD2-CD2 3.74Å
201	L	92.4	Very high	90.1	Very high	20 Å²	20	35.8 Å²	35.8	11%	0.105	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	143.9	177.4	-55.7	-177.1	0	0	0	110.5	H169 R199 C206 L209 C228 P273	H169-L201 WeakPolarHBondContact ND1-CA 3.16Å; R199-L201 PolarHBondContact O-N 2.75Å; L201-C206 HydrophobicContact CB-CB 4.28Å; L201-L209 HydrophobicContact CD1-CD1 4.07Å; L201-C228 HydrophobicContact CB-CB 4.36Å; L201-C228 HydrophobicContact CD1-CB 4.46Å; L201-C228 PolarHBondContact N-O 2.97Å; L201-P273 HydrophobicContact CD1-CB 3.53Å; L201-P273 HydrophobicContact CD1-CG 3.49Å; L201-P273 VanDerWaalsContact CD1-CG 3.49Å
202	G	89.1	Confident	89.2	Confident	22 Å²	22	33.8 Å²	33.8	23%	0.227	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-67.9	153.1	172	0	0	0	0	0	111.3	H169 A204 T205 C206	H169-G202 PolarHBondContact ND1-N 3.14Å; G202-A204 VanDerWaalsContact C-N 3.33Å; G202-A204 PolarHBondContact O-N 2.82Å; G202-T205 WeakPolarHBondContact O-CB 3.02Å; G202-T205 PolarHBondContact O-N 3.17Å; G202-C206 PolarHBondContact O-N 3.35Å
203	E	87.6	Confident	87.4	Confident	146 Å²	146	35.9 Å²	35.9	68%	0.682	20%	0.202	S	C	*	.	H	α-helix	trans	-53.7	-48.7	-179.4	-171.8	-179.1	144	0	0	111.4	T205 C206 Q207	E203-T205 PolarHBondContact O-N 3.46Å; E203-C206 PolarHBondContact O-N 3.18Å; E203-Q207 WeakPolarHBondContact O-CB 3.23Å; E203-Q207 PolarHBondContact O-N 3.05Å
204	A	87.4	Confident	85.5	Confident	64 Å²	64	36 Å²	36	53%	0.529	21%	0.205	S	C	.	.	H	α-helix	trans	-62.9	-38.6	176.2	0	0	0	0	0	113.4	G202 C208	G202-A204 VanDerWaalsContact C-N 3.33Å; G202-A204 PolarHBondContact O-N 2.82Å; A204-C208 WeakPolarHBondContact O-CB 3.39Å; A204-C208 PolarHBondContact O-N 3.16Å
205	T	87.8	Confident	83.1	Confident	46 Å²	46	35 Å²	35	28%	0.282	20%	0.202	S	C	.	.	H	α-helix	trans	-65.3	-50.7	177.9	-40.7	0	0	0	0	110.7	G202 E203 C208 L209	G202-T205 WeakPolarHBondContact O-CB 3.02Å; G202-T205 PolarHBondContact O-N 3.17Å; E203-T205 PolarHBondContact O-N 3.46Å; T205-C208 PolarHBondContact O-N 2.86Å; T205-L209 WeakPolarHBondContact O-CG 3.3Å; T205-L209 PolarHBondContact O-N 2.72Å
206	C	89.7	Confident	81	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.5	-46.3	-179.8	-175.7	0	0	0	0	111.7	L201 G202 E203 C208 L209 Y210 C228	L201-C206 HydrophobicContact CB-CB 4.28Å; G202-C206 PolarHBondContact O-N 3.35Å; E203-C206 PolarHBondContact O-N 3.18Å; C206-C208 PolarHBondContact O-N 3.42Å; C206-L209 PolarHBondContact O-N 2.78Å; C206-L209 VanDerWaalsContact O-N 3.15Å; C206-Y210 PolarHBondContact O-N 2.93Å; C206-Y210 VanDerWaalsContact SG-CD2 3.55Å; C206-C228 HydrophobicContact CB-CB 3.65Å; C206-C228 WeakPolarHBondContact CB-SG 3.47Å; C206-C228 WeakPolarHBondContact SG-CB 3.42Å; C206-C228 CovalentContact SG-SG 2.02Å; C206-C228 PolarHBondContact SG-SG 2.79Å
207	Q	89.9	Confident	79.3	Confident	47 Å²	47	43.2 Å²	43.2	22%	0.22	24%	0.241	C	C	.	.	H	α-helix	trans	-57	-39.9	176.6	-179.6	57.4	86.2	0	0	111.1	E203 Y210 S211 L220 I222	E203-Q207 WeakPolarHBondContact O-CB 3.23Å; E203-Q207 PolarHBondContact O-N 3.05Å; Q207-Y210 CarbonylContact O-C 3.48Å; Q207-Y210 PolarHBondContact O-N 3.09Å; Q207-S211 PolarHBondContact NE2-OG 3.13Å; Q207-S211 VanDerWaalsContact NE2-OG 3.08Å; Q207-S211 WeakPolarHBondContact O-CB 3.35Å; Q207-S211 PolarHBondContact O-N 3.36Å; Q207-S211 PolarHBondContact O-OG 2.61Å; Q207-L220 PolarHBondContact NE2-O 2.7Å; Q207-I222 HydrophobicContact CB-CG1 4.42Å
208	C	87.3	Confident	77.7	Confident	33 Å²	33	46.3 Å²	46.3	22%	0.223	26%	0.258	C	S	.	.	H	α-helix	trans	-67.1	-41.5	177.6	-174.2	0	0	0	0	113.5	A204 T205 C206 Y210 S211 Q212 C317	A204-C208 WeakPolarHBondContact O-CB 3.39Å; A204-C208 PolarHBondContact O-N 3.16Å; T205-C208 PolarHBondContact O-N 2.86Å; C206-C208 PolarHBondContact O-N 3.42Å; C208-Y210 VanDerWaalsContact C-N 3.26Å; C208-Y210 PolarHBondContact O-N 3.47Å; C208-S211 PolarHBondContact O-N 3.04Å; C208-S211 VanDerWaalsContact O-N 3.1Å; C208-Q212 PolarHBondContact O-N 2.04Å; C208-Q212 PolarHBondContact O-NE2 3.2Å; C208-C317 HydrophobicContact CB-CB 3.96Å; C208-C317 WeakPolarHBondContact CB-SG 3.37Å; C208-C317 WeakPolarHBondContact SG-CB 3.22Å; C208-C317 CovalentContact SG-SG 2.03Å; C208-C317 PolarHBondContact SG-SG 2.91Å
209	L	84.1	Confident	76.8	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.026	28%	0.283	C	S	.	.	H	α-helix	trans	-59.3	-39.2	175.4	-68.7	171.9	0	0	0	111.3	L201 T205 C206 Q212 N271 R272 P273	L201-L209 HydrophobicContact CD1-CD1 4.07Å; T205-L209 WeakPolarHBondContact O-CG 3.3Å; T205-L209 PolarHBondContact O-N 2.72Å; C206-L209 PolarHBondContact O-N 2.78Å; C206-L209 VanDerWaalsContact O-N 3.15Å; L209-Q212 PolarHBondContact O-N 3.06Å; L209-N271 HydrophobicContact CD2-CB 3.95Å; L209-R272 PolarHBondContact O-NH1 2.93Å; L209-P273 HydrophobicContact CD1-CG 4.1Å
210	Y	83.8	Confident	76.3	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-79.2	-14.9	175	-85.5	-73.7	0	0	0	115.3	C206 Q207 C208 T219 L220 I222 F265 P273 V275	C206-Y210 PolarHBondContact O-N 2.93Å; C206-Y210 VanDerWaalsContact SG-CD2 3.55Å; Q207-Y210 CarbonylContact O-C 3.48Å; Q207-Y210 PolarHBondContact O-N 3.09Å; C208-Y210 VanDerWaalsContact C-N 3.26Å; C208-Y210 PolarHBondContact O-N 3.47Å; Y210-T219 VanDerWaalsContact O-CA 3.26Å; Y210-T219 WeakPolarHBondContact O-CA 3.47Å; Y210-T219 WeakPolarHBondContact O-CB 3.44Å; Y210-L220 HydrophobicContact CD1-CB 3.51Å; Y210-L220 HydrophobicContact CD1-CD2 3.75Å; Y210-L220 HydrophobicContact CD1-CG 4.27Å; Y210-L220 HydrophobicContact CD2-CD2 4.46Å; Y210-L220 HydrophobicContact CE1-CB 4.18Å; Y210-L220 HydrophobicContact CE1-CD2 3.68Å; Y210-L220 HydrophobicContact CE2-CD2 4.42Å; Y210-L220 HydrophobicContact CG-CB 3.96Å; Y210-L220 HydrophobicContact CG-CD2 4.13Å; Y210-L220 PolarHBondContact O-N 3.21Å; Y210-I222 HydrophobicContact CD2-CD1 3.84Å; Y210-I222 HydrophobicContact CD2-CG1 4.46Å; Y210-I222 HydrophobicContact CE2-CD1 4.21Å; Y210-I222 HydrophobicContact CG-CD1 4.35Å; Y210-F265 HydrophobicContact CD1-CD2 4.01Å; Y210-F265 AromaticContact CD1-CE2 3.84Å; Y210-F265 HydrophobicContact CD1-CE2 3.84Å; Y210-F265 AromaticContact CE1-CD2 3.52Å; Y210-F265 HydrophobicContact CE1-CD2 3.52Å; Y210-F265 AromaticContact CE1-CE2 3.67Å; Y210-F265 HydrophobicContact CE1-CE2 3.67Å; Y210-F265 HydrophobicContact CE1-CG 4.29Å; Y210-P273 HydrophobicContact CE2-CG 4.17Å; Y210-P273 PolarHBondContact OH-O 2.92Å; Y210-V275 HydrophobicContact CE2-CG2 3.93Å; Y210-V275 WeakPolarHBondContact OH-CG2 3.42Å
211	S	82.5	Confident	76	Confident	62 Å²	62	53.3 Å²	53.3	43%	0.434	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-4.9	170.4	-64.3	0	0	0	0	113.5	Q207 C208	Q207-S211 PolarHBondContact NE2-OG 3.13Å; Q207-S211 VanDerWaalsContact NE2-OG 3.08Å; Q207-S211 WeakPolarHBondContact O-CB 3.35Å; Q207-S211 PolarHBondContact O-N 3.36Å; Q207-S211 PolarHBondContact O-OG 2.61Å; C208-S211 PolarHBondContact O-N 3.04Å; C208-S211 VanDerWaalsContact O-N 3.1Å
212	Q	70.3	Confident	76	Confident	66 Å²	66	52.9 Å²	52.9	31%	0.308	30%	0.298	S	S	.	.	S	Bend	trans	-82.9	137.9	170.5	-56.9	-44.1	-68.4	0	0	110.8	C208 L209 G214 R272 I319	C208-Q212 PolarHBondContact O-N 2.04Å; C208-Q212 PolarHBondContact O-NE2 3.2Å; L209-Q212 PolarHBondContact O-N 3.06Å; Q212-G214 PolarHBondContact O-N 2.8Å; Q212-G214 VanDerWaalsContact O-N 3.12Å; Q212-R272 PolarHBondContact O-NH1 3.15Å; Q212-I319 HydrophobicContact CG-CD1 3.81Å; Q212-I319 HydrophobicContact CG-CG1 4.18Å
213	P	55.9	Low	76.1	Confident	68 Å²	68	54 Å²	54	44%	0.442	30%	0.298	S	S	.	.			trans	-69.7	106.3	170.5	29.9	-33.2	0	0	0	109.5	N217	P213-N217 WeakPolarHBondContact CB-OD1 3.43Å
214	G	52.3	Low	76.3	Confident	11 Å²	11	52.4 Å²	52.4	11%	0.113	30%	0.301	C	S	.	.			trans	-78.9	-174.5	164.2	0	0	0	0	0	111.5	Q212 F216 N217	Q212-G214 PolarHBondContact O-N 2.8Å; Q212-G214 VanDerWaalsContact O-N 3.12Å; G214-F216 PolarHBondContact O-N 3.14Å; G214-N217 PolarHBondContact O-N 2.84Å
215	P	44.9	Very low	76.5	Confident	9 Å²	9	49.7 Å²	49.7	6%	0.058	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-13.7	-171.2	18.4	-31.4	0	0	0	116.6	Q561 W566	P215-Q561 HydrophobicContact CB-CB 3.96Å; P215-Q561 HydrophobicContact CB-CG 4.27Å; P215-Q561 VanDerWaalsContact CB-OE1 3.25Å; P215-Q561 HydrophobicContact CG-CB 4.36Å; P215-W566 PolarHBondContact O-NE1 2.94Å
216	F	47.5	Very low	76.9	Confident	95 Å²	95	48.5 Å²	48.5	42%	0.417	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	10.7	177	-60	-85.1	0	0	0	113.4	G214 L218	G214-F216 PolarHBondContact O-N 3.14Å; F216-L218 HydrophobicContact CB-CD1 3.93Å; F216-L218 HydrophobicContact CB-CG 3.84Å; F216-L218 PolarHBondContact O-N 2.85Å
217	N	55.1	Low	77.2	Confident	102 Å²	102	50 Å²	50	55%	0.545	28%	0.279	S	S	.	.			trans	52.2	14.2	-170.6	-156.7	7.9	0	0	0	115	P213 G214 T219	P213-N217 WeakPolarHBondContact CB-OD1 3.43Å; G214-N217 PolarHBondContact O-N 2.84Å; N217-T219 PolarHBondContact O-N 3.34Å; N217-T219 VanDerWaalsContact O-N 3.15Å
218	L	61.5	Low	77.4	Confident	82 Å²	82	47.9 Å²	47.9	43%	0.429	27%	0.269	S	S	.	.			trans	-66	114.6	177.5	-67.7	173.5	0	0	0	109.6	F216 F265 R272	F216-L218 HydrophobicContact CB-CD1 3.93Å; F216-L218 HydrophobicContact CB-CG 3.84Å; F216-L218 PolarHBondContact O-N 2.85Å; L218-F265 HydrophobicContact CB-CD2 4.18Å; L218-F265 HydrophobicContact CB-CE2 3.76Å; L218-F265 HydrophobicContact CB-CZ 3.99Å; L218-F265 HydrophobicContact CD1-CD1 4.27Å; L218-F265 HydrophobicContact CD1-CE1 4.25Å; L218-F265 HydrophobicContact CD1-CZ 4.46Å; L218-R272 PolarHBondContact O-NH2 3.09Å
219	T	73.6	Confident	77.8	Confident	85 Å²	85	46.3 Å²	46.3	52%	0.521	26%	0.258	S	S	.	.			trans	-114.3	143.9	171.1	51.7	0	0	0	0	109.2	Y210 N217	Y210-T219 VanDerWaalsContact O-CA 3.26Å; Y210-T219 WeakPolarHBondContact O-CA 3.47Å; Y210-T219 WeakPolarHBondContact O-CB 3.44Å; N217-T219 PolarHBondContact O-N 3.34Å; N217-T219 VanDerWaalsContact O-N 3.15Å
220	L	83.9	Confident	78.2	Confident	19 Å²	19	46.1 Å²	46.1	10%	0.099	26%	0.257	C	S	.	.			trans	-126.4	140.1	-176.2	178.6	68.9	0	0	0	109.7	E135 Q207 Y210 I222 F263 F265 V275	E135-L220 HydrophobicContact CB-CD1 4.24Å; E135-L220 HydrophobicContact CG-CD1 4.34Å; Q207-L220 PolarHBondContact NE2-O 2.7Å; Y210-L220 HydrophobicContact CD1-CB 3.51Å; Y210-L220 HydrophobicContact CD1-CD2 3.75Å; Y210-L220 HydrophobicContact CD1-CG 4.27Å; Y210-L220 HydrophobicContact CD2-CD2 4.46Å; Y210-L220 HydrophobicContact CE1-CB 4.18Å; Y210-L220 HydrophobicContact CE1-CD2 3.68Å; Y210-L220 HydrophobicContact CE2-CD2 4.42Å; Y210-L220 HydrophobicContact CG-CB 3.96Å; Y210-L220 HydrophobicContact CG-CD2 4.13Å; Y210-L220 PolarHBondContact O-N 3.21Å; L220-I222 HydrophobicContact CD2-CD1 3.78Å; L220-I222 HydrophobicContact CG-CD1 4.26Å; L220-F263 HydrophobicContact CD1-CE2 4.16Å; L220-F263 HydrophobicContact CD1-CZ 4.18Å; L220-F263 HydrophobicContact CD2-CE2 3.59Å; L220-F263 HydrophobicContact CD2-CZ 3.73Å; L220-F265 HydrophobicContact CB-CE2 4.17Å; L220-F265 HydrophobicContact CB-CZ 4.27Å; L220-V275 HydrophobicContact CD2-CG2 4.29Å
221	Q	89.6	Confident	78.3	Confident	137 Å²	137	48.4 Å²	48.4	64%	0.64	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-93.1	120.9	165.4	-175.1	175.8	-12.1	0	0	108.9	L223	Q221-L223 HydrophobicContact CG-CD2 4.24Å
222	I	91.4	Very high	78.3	Confident	11 Å²	11	46.9 Å²	46.9	6%	0.056	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-75.6	127.4	173.7	-57	-58.4	0	0	0	108.2	Q207 Y210 L220 M226 V275	Q207-I222 HydrophobicContact CB-CG1 4.42Å; Y210-I222 HydrophobicContact CD2-CD1 3.84Å; Y210-I222 HydrophobicContact CD2-CG1 4.46Å; Y210-I222 HydrophobicContact CE2-CD1 4.21Å; Y210-I222 HydrophobicContact CG-CD1 4.35Å; L220-I222 HydrophobicContact CD2-CD1 3.78Å; L220-I222 HydrophobicContact CG-CD1 4.26Å; I222-M226 HydrophobicContact CG2-CB 4Å; I222-V275 HydrophobicContact CD1-CG2 4.48Å
223	L	92.9	Very high	78.7	Confident	46 Å²	46	46.9 Å²	46.9	24%	0.241	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-101.5	151.3	-175.2	-61.3	-179.3	0	0	0	112	E135 Q221 G225 M226	E135-L223 WeakPolarHBondContact O-CD1 3.47Å; Q221-L223 HydrophobicContact CG-CD2 4.24Å; L223-G225 PolarHBondContact O-N 3.25Å; L223-M226 HydrophobicContact CB-CE 4.14Å; L223-M226 HydrophobicContact CB-CG 4.45Å; L223-M226 HydrophobicContact CB-SD 4.01Å; L223-M226 HydrophobicContact CD1-CE 4.16Å; L223-M226 HydrophobicContact CG-CE 4.22Å; L223-M226 HydrophobicContact CG-SD 4.41Å; L223-M226 PolarHBondContact N-SD 3.01Å; L223-M226 VanDerWaalsContact N-SD 3.39Å; L223-M226 WeakPolarHBondContact O-CB 3.49Å; L223-M226 PolarHBondContact O-N 3.09Å
224	P	90.8	Very high	79.9	Confident	113 Å²	113	44 Å²	44	73%	0.734	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	123.6	170.9	-24.6	34.7	0	0	0	111.3
225	G	92.3	Very high	81.1	Confident	7 Å²	7	48.4 Å²	48.4	7%	0.072	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	104.2	-7.9	-170.4	0	0	0	0	0	114.2	L223 A278	L223-G225 PolarHBondContact O-N 3.25Å; G225-A278 WeakPolarHBondContact O-CB 3.38Å; G225-A278 PolarHBondContact O-N 3.31Å
226	M	95.4	Very high	83	Confident	21 Å²	21	51.2 Å²	51.2	10%	0.103	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	156.3	162.9	-60.5	174.2	175.5	0	0	110.6	V134 I222 L223 F263 V275 F276	V134-M226 VanDerWaalsContact O-CE 3.3Å; V134-M226 WeakPolarHBondContact O-CE 3.26Å; I222-M226 HydrophobicContact CG2-CB 4Å; L223-M226 HydrophobicContact CB-CE 4.14Å; L223-M226 HydrophobicContact CB-CG 4.45Å; L223-M226 HydrophobicContact CB-SD 4.01Å; L223-M226 HydrophobicContact CD1-CE 4.16Å; L223-M226 HydrophobicContact CG-CE 4.22Å; L223-M226 HydrophobicContact CG-SD 4.41Å; L223-M226 PolarHBondContact N-SD 3.01Å; L223-M226 VanDerWaalsContact N-SD 3.39Å; L223-M226 WeakPolarHBondContact O-CB 3.49Å; L223-M226 PolarHBondContact O-N 3.09Å; M226-F263 HydrophobicContact CE-CE1 4.06Å; M226-F263 HydrophobicContact CE-CZ 4.22Å; M226-V275 HydrophobicContact CB-CG1 4.08Å; M226-V275 HydrophobicContact CG-CG1 4.19Å; M226-V275 HydrophobicContact SD-CG1 4.14Å; M226-F276 CarbonylContact C-O 3.59Å; M226-F276 WeakPolarHBondContact CA-O 3.48Å
227	L	95.6	Very high	84.9	Confident	32 Å²	32	47.9 Å²	47.9	17%	0.168	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	167.8	159.2	68.8	77.6	0	0	0	108.8	L200 L247 A258 F276 A278	L200-L227 HydrophobicContact CD2-CD1 3.72Å; L200-L227 HydrophobicContact CD2-CD2 4.34Å; L227-L247 HydrophobicContact CD1-CD2 3.87Å; L227-A258 HydrophobicContact CD2-CB 4.43Å; L227-A258 WeakPolarHBondContact CD2-O 3.27Å; L227-F276 HydrophobicContact CD1-CB 3.75Å; L227-F276 HydrophobicContact CD1-CD2 4.15Å; L227-F276 HydrophobicContact CD1-CG 4.22Å; L227-F276 HydrophobicContact CG-CB 4.16Å; L227-F276 PolarHBondContact N-O 3.23Å; L227-F276 PolarHBondContact O-N 2.82Å; L227-A278 HydrophobicContact CB-CB 4.07Å; L227-A278 HydrophobicContact CD2-CB 3.86Å; L227-A278 HydrophobicContact CG-CB 4.07Å
228	C	95.3	Very high	86.6	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.014	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	145.4	176.1	-40	0	0	0	0	111	L201 C206 P273 G274	L201-C228 HydrophobicContact CB-CB 4.36Å; L201-C228 HydrophobicContact CD1-CB 4.46Å; L201-C228 PolarHBondContact N-O 2.97Å; C206-C228 HydrophobicContact CB-CB 3.65Å; C206-C228 WeakPolarHBondContact CB-SG 3.47Å; C206-C228 WeakPolarHBondContact SG-CB 3.42Å; C206-C228 CovalentContact SG-SG 2.02Å; C206-C228 PolarHBondContact SG-SG 2.79Å; C228-P273 HydrophobicContact CB-CG 4.4Å; C228-G274 VanDerWaalsContact CA-O 3.29Å; C228-G274 WeakPolarHBondContact CA-O 3.34Å
229	A	95.3	Very high	87.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	141.1	175.8	0	0	0	0	0	111	L198 R199 L200 L247 G274 F276	L198-A229 HydrophobicContact CB-CB 3.93Å; L198-A229 HydrophobicContact CD1-CB 4.19Å; R199-A229 VanDerWaalsContact O-CA 3.28Å; R199-A229 WeakPolarHBondContact O-CA 3.28Å; L200-A229 HydrophobicContact CD2-CB 4.18Å; A229-L247 HydrophobicContact CB-CD1 4.3Å; A229-L247 HydrophobicContact CB-CD2 3.67Å; A229-G274 PolarHBondContact N-O 3.4Å; A229-G274 PolarHBondContact O-N 2.8Å; A229-F276 HydrophobicContact CB-CD2 4.08Å; A229-F276 HydrophobicContact CB-CE2 3.72Å; A229-F276 HydrophobicContact CB-CZ 4.46Å
230	G	92	Very high	88.5	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.01	21%	0.212	C	C	.	.	S	Bend	trans	153	-158.9	178.9	0	0	0	0	0	112.3	R199	R199-G230 PolarHBondContact O-N 2.89Å
231	Y	86.1	Confident	88.6	Confident	48 Å²	48	42.3 Å²	42.3	19%	0.188	21%	0.214	C	C	.	.			trans	-127	139.1	175.8	-65.2	-95.5	0	0	0	109	E197 R199 E233 G234 R236	E197-Y231 VanDerWaalsContact O-CE2 3.31Å; E197-Y231 WeakPolarHBondContact O-CE2 3.08Å; E197-Y231 PolarHBondContact O-OH 2.88Å; E197-Y231 PolarHBondContact OE1-OH 2.92Å; E197-Y231 VanDerWaalsContact OE1-OH 3.13Å; R199-Y231 HydrophobicContact CG-CD1 4.41Å; R199-Y231 HydrophobicContact CG-CE1 3.64Å; R199-Y231 HydrophobicContact CG-CE2 4.3Å; R199-Y231 WeakPolarHBondContact CG-OH 3.46Å; Y231-E233 PolarHBondContact O-N 3.17Å; Y231-E233 VanDerWaalsContact O-N 3.15Å; Y231-G234 PolarHBondContact O-N 3.26Å; Y231-R236 HydrophobicContact CD2-CB 4.16Å; Y231-R236 HydrophobicContact CE2-CB 4.4Å
232	P	82.5	Confident	88.9	Confident	30 Å²	30	36.6 Å²	36.6	20%	0.195	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-32.1	172.6	-29.1	38.4	0	0	0	113	G234 N271 A320	P232-G234 PolarHBondContact O-N 2.99Å; P232-N271 PolarHBondContact O-N 3.1Å; P232-A320 VanDerWaalsContact C-CB 3.46Å; P232-A320 HydrophobicContact CB-CB 3.71Å; P232-A320 WeakPolarHBondContact O-CB 3.21Å
233	E	78.2	Confident	89.1	Confident	66 Å²	66	36.8 Å²	36.8	31%	0.308	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	4.7	177	-55	71.4	-158.1	0	0	114.8	Y231 R235 A320	Y231-E233 PolarHBondContact O-N 3.17Å; Y231-E233 VanDerWaalsContact O-N 3.15Å; E233-R235 PolarHBondContact O-NE 3.12Å; E233-A320 HydrophobicContact CG-CB 4.04Å
234	G	82.6	Confident	89.3	Confident	6 Å²	6	34.6 Å²	34.6	6%	0.062	18%	0.179	C	C	.	.			trans	64	-141.9	-178.1	0	0	0	0	0	113.2	Y231 P232 R236 G268	Y231-G234 PolarHBondContact O-N 3.26Å; P232-G234 PolarHBondContact O-N 2.99Å; G234-R236 PolarHBondContact O-N 3.22Å; G234-G268 CarbonylContact C-O 3.58Å; G234-G268 WeakPolarHBondContact CA-O 3.1Å
235	R	77.4	Confident	89.7	Confident	105 Å²	105	29.2 Å²	29.2	40%	0.396	14%	0.144	S	C	.	.	S	Bend	trans	63.6	-4.9	175.3	-58.1	173.7	-74.7	177.1	-8.2	116.8	E233 G268 E323 Y557	E233-R235 PolarHBondContact O-NE 3.12Å; R235-G268 PolarHBondContact N-O 3.13Å; R235-E323 IonicContact CZ-OE2 3.77Å; R235-E323 IonicContact NH1-OE2 3.1Å; R235-E323 PolarHBondContact NH1-OE2 3.42Å; R235-E323 IonicContact NH2-OE2 3.79Å; R235-E323 PolarHBondContact NH2-OE2 3.26Å; R235-Y557 VanDerWaalsContact NH1-CZ 3.28Å; R235-Y557 PolarHBondContact NH1-OH 2.78Å
236	R	84.8	Confident	90	Very high	68 Å²	68	28.9 Å²	28.9	26%	0.257	14%	0.141	S	C	.	.			trans	-148.4	123	177.6	-64.5	-177.3	-169.7	166.2	2.4	110.2	V48 V196 L198 Y231 G234	V48-R236 VanDerWaalsContact CG1-NH1 3.34Å; V48-R236 PolarHBondContact O-NH2 2.8Å; V196-R236 HydrophobicContact CG2-CB 3.88Å; V196-R236 HydrophobicContact CG2-CG 4.18Å; L198-R236 HydrophobicContact CD2-CB 3.94Å; Y231-R236 HydrophobicContact CD2-CB 4.16Å; Y231-R236 HydrophobicContact CE2-CB 4.4Å; G234-R236 PolarHBondContact O-N 3.22Å
237	D	87.6	Confident	90.1	Very high	24 Å²	24	27.9 Å²	27.9	13%	0.128	14%	0.136	C	C	.	.			trans	-164.9	178.5	-175.4	-149	-12.7	0	0	0	109.9	G268 G274	D237-G268 PolarHBondContact OD2-N 3.02Å; D237-G274 WeakPolarHBondContact OD1-CA 3.37Å; D237-G274 PolarHBondContact OD1-N 2.59Å
238	T	89.5	Confident	90.2	Very high	15 Å²	15	26.4 Å²	26.4	9%	0.092	13%	0.128	C	C	.	.			trans	-87.1	155.5	158.1	44.3	0	0	0	0	111	A175 D242 T261 F276	A175-T238 HydrophobicContact CB-CG2 3.49Å; A175-T238 VanDerWaalsContact CB-CG2 3.49Å; T238-D242 HydrophobicContact CG2-CB 4.07Å; T238-T261 HydrophobicContact CG2-CG2 3.88Å; T238-T261 WeakPolarHBondContact OG1-CG2 3.21Å; T238-F276 HydrophobicContact CG2-CE1 4.05Å; T238-F276 HydrophobicContact CG2-CZ 3.99Å
239	C	89.4	Confident	90.2	Very high	13 Å²	13	26.3 Å²	26.3	9%	0.088	13%	0.127	C	C	.	.			trans	-134.4	-168.9	175.8	-154.8	0	0	0	0	113.8	D180 Q182 G241 D242 C267	D180-C239 HydrophobicContact CB-CB 4.37Å; D180-C239 VanDerWaalsContact O-CB 3.3Å; D180-C239 WeakPolarHBondContact O-CB 3.46Å; Q182-C239 VanDerWaalsContact C-SG 3.57Å; Q182-C239 PolarHBondContact O-SG 3.25Å; C239-G241 PolarHBondContact O-N 3.22Å; C239-D242 PolarHBondContact N-OD2 3.29Å; C239-D242 WeakPolarHBondContact O-CB 3.39Å; C239-D242 PolarHBondContact O-N 2.9Å; C239-C267 WeakPolarHBondContact CA-SG 3.21Å; C239-C267 HydrophobicContact CB-CB 3.67Å; C239-C267 WeakPolarHBondContact CB-SG 3.32Å; C239-C267 WeakPolarHBondContact SG-CB 3.22Å; C239-C267 CovalentContact SG-SG 2.04Å; C239-C267 PolarHBondContact SG-SG 3.32Å
240	Q	85.5	Confident	90.1	Very high	129 Å²	129	30.3 Å²	30.3	60%	0.603	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	124.9	-173.9	-61.4	-65.1	-4.1	0	0	110.9	G179 D180	G179-Q240 CarbonylContact C-O 3.4Å; G179-Q240 WeakPolarHBondContact CA-O 3.36Å; D180-Q240 PolarHBondContact N-O 2.93Å
241	G	87.1	Confident	89.9	Confident	14 Å²	14	32.1 Å²	32.1	14%	0.144	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.3	-23.6	-172.9	0	0	0	0	0	114.7	H70 C72 G73 C239 S243	H70-G241 PolarHBondContact NE2-O 2.86Å; C72-G241 CarbonylContact C-O 3.53Å; G73-G241 PolarHBondContact N-O 3.11Å; C239-G241 PolarHBondContact O-N 3.22Å; G241-S243 PolarHBondContact O-N 2.78Å
242	D	94.8	Very high	89.8	Confident	18 Å²	18	33.5 Å²	33.5	10%	0.096	18%	0.183	C	C	.	.			trans	-74.1	-11.4	169.4	-62.7	-33.2	0	0	0	112.5	G177 W178 G179 T238 C239 G244 G245 T261	G177-D242 WeakPolarHBondContact CA-OD1 3.03Å; W178-D242 PolarHBondContact N-OD1 2.7Å; G179-D242 WeakPolarHBondContact CA-OD1 3.48Å; G179-D242 PolarHBondContact N-OD1 3.03Å; T238-D242 HydrophobicContact CG2-CB 4.07Å; C239-D242 PolarHBondContact N-OD2 3.29Å; C239-D242 WeakPolarHBondContact O-CB 3.39Å; C239-D242 PolarHBondContact O-N 2.9Å; D242-G244 PolarHBondContact O-N 2.8Å; D242-G245 VanDerWaalsContact O-CA 3.31Å; D242-G245 WeakPolarHBondContact O-CA 3.39Å; D242-G245 PolarHBondContact O-N 2.8Å; D242-T261 HydrophobicContact CB-CG2 4.29Å; D242-T261 WeakPolarHBondContact O-CB 3.41Å; D242-T261 WeakPolarHBondContact O-CG2 3.09Å; D242-T261 PolarHBondContact O-OG1 3.12Å
243	S	96	Very high	90	Very high	15 Å²	15	34.1 Å²	34.1	11%	0.105	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40	131.1	171	-77.1	0	0	0	0	112.8	C72 G73 H87 G241 G245	C72-S243 CarbonylContact C-O 3.54Å; C72-S243 WeakPolarHBondContact CA-O 3.48Å; C72-S243 VanDerWaalsContact CB-O 3.25Å; C72-S243 WeakPolarHBondContact CB-O 3.19Å; C72-S243 VanDerWaalsContact SG-CB 3.58Å; G73-S243 WeakPolarHBondContact CA-O 3.5Å; G73-S243 PolarHBondContact N-O 2.99Å; H87-S243 WeakPolarHBondContact NE2-CB 3.33Å; H87-S243 PolarHBondContact NE2-OG 3.48Å; G241-S243 PolarHBondContact O-N 2.78Å; S243-G245 PolarHBondContact O-N 2.03Å
244	G	97.7	Very high	90.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	74	-8.5	-175.1	0	0	0	0	0	115.6	G73 G74 S84 D242 T261	G73-G244 CarbonylContact O-C 3.57Å; G73-G244 VanDerWaalsContact O-C 3.25Å; G74-G244 WeakPolarHBondContact CA-O 3.45Å; S84-G244 WeakPolarHBondContact CA-O 3.11Å; S84-G244 WeakPolarHBondContact OG-CA 3.37Å; D242-G244 PolarHBondContact O-N 2.8Å; G244-T261 PolarHBondContact N-O 2.91Å
245	G	98.1	Very high	91.2	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.			trans	-62.2	160.5	172.2	0	0	0	0	0	113	D242 S243 I260 T261	D242-G245 VanDerWaalsContact O-CA 3.31Å; D242-G245 WeakPolarHBondContact O-CA 3.39Å; D242-G245 PolarHBondContact O-N 2.8Å; S243-G245 PolarHBondContact O-N 2.03Å; G245-I260 CarbonylContact O-C 3.53Å; G245-I260 WeakPolarHBondContact O-CA 3.28Å; G245-T261 PolarHBondContact O-N 2.87Å; G245-T261 PolarHBondContact O-OG1 3.06Å
246	P	98.3	Very high	92.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	139.7	-177.8	34.3	-32.1	0	0	0	112.6	V248 Q257	P246-V248 HydrophobicContact CB-CG1 4.01Å; P246-Q257 HydrophobicContact CB-CG 3.95Å
247	L	98.3	Very high	92.8	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	109.6	160.3	-178.4	74	0	0	0	108.7	C173 W174 A175 L198 L200 L227 A229 Q257 A258 G259 F276	C173-L247 HydrophobicContact CB-CD1 3.95Å; C173-L247 HydrophobicContact CB-CG 4.04Å; W174-L247 CarbonylContact O-C 3.53Å; W174-L247 WeakPolarHBondContact O-CA 3.27Å; A175-L247 HydrophobicContact CB-CD1 4.06Å; L198-L247 HydrophobicContact CB-CD1 4.45Å; L198-L247 HydrophobicContact CD1-CD1 4.25Å; L200-L247 HydrophobicContact CD2-CD2 3.74Å; L227-L247 HydrophobicContact CD1-CD2 3.87Å; A229-L247 HydrophobicContact CB-CD1 4.3Å; A229-L247 HydrophobicContact CB-CD2 3.67Å; L247-Q257 CarbonylContact O-C 3.52Å; L247-A258 PolarHBondContact O-N 3.07Å; L247-G259 PolarHBondContact N-O 3.2Å; L247-G259 PolarHBondContact O-N 3.48Å; L247-F276 HydrophobicContact CB-CD1 3.73Å; L247-F276 HydrophobicContact CB-CE1 3.89Å; L247-F276 HydrophobicContact CB-CG 4.45Å; L247-F276 HydrophobicContact CD1-CE1 4.33Å; L247-F276 HydrophobicContact CD1-CZ 4.41Å; L247-F276 HydrophobicContact CD2-CD1 4.13Å; L247-F276 HydrophobicContact CD2-CD2 4.21Å; L247-F276 HydrophobicContact CD2-CE1 4.37Å; L247-F276 HydrophobicContact CD2-CE2 4.45Å; L247-F276 HydrophobicContact CD2-CG 4.08Å; L247-F276 HydrophobicContact CG-CD1 4.43Å; L247-F276 HydrophobicContact CG-CE1 4.42Å
248	V	97.6	Very high	93.2	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	137.4	-173.8	-63.1	0	0	0	0	113.5	W58 W60 V158 C173 W174 P246 W255 F256 Q257	W58-V248 HydrophobicContact CE3-CG2 4.02Å; W58-V248 HydrophobicContact CH2-CG2 4.32Å; W58-V248 HydrophobicContact CZ3-CG2 3.54Å; W60-V248 HydrophobicContact CZ2-CG1 4.42Å; W60-V248 HydrophobicContact CZ2-CG2 4.27Å; V158-V248 HydrophobicContact CG2-CG1 3.87Å; C173-V248 CarbonylContact C-O 3.56Å; C173-V248 WeakPolarHBondContact CA-O 3.43Å; C173-V248 VanDerWaalsContact CB-O 3.3Å; C173-V248 WeakPolarHBondContact CB-O 3.3Å; W174-V248 HydrophobicContact CB-CG2 4.16Å; W174-V248 PolarHBondContact N-O 3.17Å; W174-V248 PolarHBondContact O-N 2.73Å; P246-V248 HydrophobicContact CB-CG1 4.01Å; V248-W255 HydrophobicContact CB-CE3 3.98Å; V248-W255 HydrophobicContact CG2-CD2 4.46Å; V248-W255 HydrophobicContact CG2-CE3 3.7Å; V248-W255 HydrophobicContact CG2-CZ3 4.07Å; V248-F256 CarbonylContact C-O 3.57Å; V248-F256 VanDerWaalsContact CA-O 3.3Å; V248-F256 WeakPolarHBondContact CA-O 3.14Å; V248-Q257 HydrophobicContact CG1-CB 4.33Å
249	C	95.8	Very high	93.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	139.8	179.2	-48.2	0	0	0	0	110.4	F167 T171 C173 F256 A258	F167-C249 HydrophobicContact CD1-CB 3.94Å; F167-C249 HydrophobicContact CE1-CB 3.77Å; T171-C249 HydrophobicContact CG2-CB 4.34Å; C173-C249 HydrophobicContact CB-CB 4.07Å; C173-C249 WeakPolarHBondContact CB-SG 3.35Å; C173-C249 WeakPolarHBondContact SG-CB 3.23Å; C173-C249 CovalentContact SG-SG 2.03Å; C173-C249 PolarHBondContact SG-SG 2.74Å; C249-F256 PolarHBondContact N-O 2.97Å; C249-F256 PolarHBondContact O-N 2.88Å; C249-A258 WeakPolarHBondContact SG-CB 3.18Å
250	E	92.6	Very high	94.1	Very high	85 Å²	85	23.6 Å²	23.6	40%	0.397	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	115	178.7	-173.9	-171.7	-166	0	0	110.8	R46 W255	R46-E250 IonicContact CZ-OE2 3.88Å; R46-E250 IonicContact NH1-OE2 3.72Å; R46-E250 IonicContact NH2-OE1 3.46Å; R46-E250 IonicContact NH2-OE2 2.87Å; R46-E250 PolarHBondContact NH2-OE2 3.01Å; E250-W255 HydrophobicContact CB-CD2 4.2Å; E250-W255 HydrophobicContact CB-CE3 3.98Å; E250-W255 HydrophobicContact CB-CH2 3.99Å; E250-W255 HydrophobicContact CB-CZ2 4.19Å; E250-W255 HydrophobicContact CB-CZ3 3.88Å
251	E	88.9	Confident	94.7	Very high	38 Å²	38	17.7 Å²	17.7	18%	0.178	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.6	171	-69.8	-158.6	142.7	0	0	111.4	H165 G253 R254 F256 Q302	H165-E251 IonicContact CE1-OE1 2.67Å; H165-E251 IonicContact CE1-OE2 4Å; H165-E251 PolarHBondContact CE1-OE2 3.03Å; H165-E251 IonicContact ND1-OE2 3.13Å; H165-E251 IonicContact NE2-OE2 2.83Å; E251-G253 PolarHBondContact O-N 2.81Å; E251-G253 VanDerWaalsContact O-N 3.09Å; E251-R254 PolarHBondContact N-O 3.42Å; E251-R254 PolarHBondContact O-N 3.47Å; E251-R254 VanDerWaalsContact O-N 3.08Å; E251-R254 VanDerWaalsContact O-O 3.05Å; E251-F256 HydrophobicContact CB-CD2 4.2Å; E251-F256 HydrophobicContact CB-CE2 4.27Å; E251-Q302 PolarHBondContact OE2-NE2 3.49Å
252	G	84.1	Confident	95.1	Very high	77 Å²	77	17.3 Å²	17.3	79%	0.794	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	15.3	174.6	0	0	0	0	0	115.9
253	G	86.1	Confident	95	Very high	43 Å²	43	17.9 Å²	17.9	44%	0.443	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	23.3	-174.3	0	0	0	0	0	114.3	R40 E251	R40-G253 PolarHBondContact NH1-O 2.85Å; R40-G253 VanDerWaalsContact NH1-O 3.11Å; E251-G253 PolarHBondContact O-N 2.81Å; E251-G253 VanDerWaalsContact O-N 3.09Å
254	R	90.9	Very high	94.6	Very high	47 Å²	47	18.7 Å²	18.7	18%	0.177	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	152.7	158.9	-70.4	-164.5	-176.6	-177.5	5	109.7	D35 D37 C38 G39 C159 E251 F256	D35-R254 IonicContact OD2-CZ 3.66Å; D35-R254 IonicContact OD2-NH1 2.8Å; D35-R254 PolarHBondContact OD2-NH1 3.26Å; D35-R254 IonicContact OD2-NH2 3.87Å; D35-R254 PolarHBondContact OD2-NH2 3.44Å; D37-R254 IonicContact OD1-NH2 3.49Å; C38-R254 PolarHBondContact SG-NH1 3.4Å; C38-R254 VanDerWaalsContact SG-NH1 3.38Å; G39-R254 WeakPolarHBondContact O-CA 3.31Å; C159-R254 VanDerWaalsContact SG-CD 3.59Å; E251-R254 PolarHBondContact N-O 3.42Å; E251-R254 PolarHBondContact O-N 3.47Å; E251-R254 VanDerWaalsContact O-N 3.08Å; E251-R254 VanDerWaalsContact O-O 3.05Å; R254-F256 HydrophobicContact CB-CE2 3.93Å; R254-F256 HydrophobicContact CB-CZ 4.49Å
255	W	95.1	Very high	93.9	Very high	22 Å²	22	20.6 Å²	20.6	8%	0.083	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.7	173	-69	95.6	0	0	0	111.4	G39 S41 W58 W60 C159 W174 V248 E250	G39-W255 WeakPolarHBondContact CA-O 3.29Å; G39-W255 PolarHBondContact O-N 2.79Å; S41-W255 PolarHBondContact OG-NE1 3.09Å; W58-W255 AromaticContact CH2-CH2 3.62Å; W58-W255 HydrophobicContact CH2-CH2 3.62Å; W58-W255 AromaticContact CH2-CZ2 3.81Å; W58-W255 HydrophobicContact CH2-CZ2 3.81Å; W58-W255 HydrophobicContact CH2-CZ3 4.01Å; W58-W255 HydrophobicContact CZ3-CD2 4.06Å; W58-W255 AromaticContact CZ3-CE2 3.97Å; W58-W255 HydrophobicContact CZ3-CE3 4.06Å; W58-W255 AromaticContact CZ3-CH2 3.93Å; W58-W255 HydrophobicContact CZ3-CH2 3.93Å; W58-W255 AromaticContact CZ3-CZ2 3.91Å; W58-W255 HydrophobicContact CZ3-CZ2 3.91Å; W58-W255 HydrophobicContact CZ3-CZ3 4Å; W60-W255 HydrophobicContact CH2-CB 3.51Å; W60-W255 AromaticContact CH2-CD1 3.52Å; W60-W255 HydrophobicContact CH2-CD2 4.48Å; W60-W255 AromaticContact CH2-CG 3.57Å; W60-W255 HydrophobicContact CH2-CG 3.57Å; W60-W255 HydrophobicContact CZ2-CB 3.7Å; W60-W255 HydrophobicContact CZ2-CD2 4.43Å; W60-W255 AromaticContact CZ2-CG 3.84Å; W60-W255 HydrophobicContact CZ2-CG 3.84Å; W60-W255 HydrophobicContact CZ3-CB 4.39Å; C159-W255 WeakPolarHBondContact CB-O 3.3Å; C159-W255 PolarHBondContact N-O 3.03Å; W174-W255 AromaticContact CD1-CH2 3.55Å; W174-W255 AromaticContact CD1-CZ3 3.66Å; W174-W255 HydrophobicContact CG-CH2 4.24Å; W174-W255 HydrophobicContact CG-CZ3 4.32Å; W174-W255 AromaticContact NE1-CH2 3.97Å; V248-W255 HydrophobicContact CB-CE3 3.98Å; V248-W255 HydrophobicContact CG2-CD2 4.46Å; V248-W255 HydrophobicContact CG2-CE3 3.7Å; V248-W255 HydrophobicContact CG2-CZ3 4.07Å; E250-W255 HydrophobicContact CB-CD2 4.2Å; E250-W255 HydrophobicContact CB-CE3 3.98Å; E250-W255 HydrophobicContact CB-CH2 3.99Å; E250-W255 HydrophobicContact CB-CZ2 4.19Å; E250-W255 HydrophobicContact CB-CZ3 3.88Å
256	F	96.9	Very high	93	Very high	6 Å²	6	21.6 Å²	21.6	3%	0.026	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.9	178	-69.2	-96.6	0	0	0	110.5	C159 F167 V248 C249 E251 R254 A258 P300 Q302	C159-F256 HydrophobicContact CB-CD1 3.69Å; C159-F256 HydrophobicContact CB-CE1 3.79Å; C159-F256 HydrophobicContact CB-CG 4.2Å; C159-F256 HydrophobicContact CB-CZ 4.35Å; C159-F256 WeakPolarHBondContact O-CA 3.23Å; F167-F256 HydrophobicContact CE1-CB 4.24Å; F167-F256 HydrophobicContact CZ-CB 3.95Å; V248-F256 CarbonylContact C-O 3.57Å; V248-F256 VanDerWaalsContact CA-O 3.3Å; V248-F256 WeakPolarHBondContact CA-O 3.14Å; C249-F256 PolarHBondContact N-O 2.97Å; C249-F256 PolarHBondContact O-N 2.88Å; E251-F256 HydrophobicContact CB-CD2 4.2Å; E251-F256 HydrophobicContact CB-CE2 4.27Å; R254-F256 HydrophobicContact CB-CE2 3.93Å; R254-F256 HydrophobicContact CB-CZ 4.49Å; F256-A258 PolarHBondContact O-N 3.47Å; F256-P300 HydrophobicContact CE1-CG 3.71Å; F256-P300 HydrophobicContact CZ-CG 3.91Å; F256-Q302 HydrophobicContact CD1-CG 3.8Å; F256-Q302 HydrophobicContact CD2-CG 4.39Å; F256-Q302 HydrophobicContact CE1-CG 3.31Å; F256-Q302 HydrophobicContact CE2-CG 3.99Å; F256-Q302 HydrophobicContact CG-CG 4.31Å; F256-Q302 HydrophobicContact CZ-CG 3.43Å; F256-Q302 VanDerWaalsContact CZ-CG 3.43Å
257	Q	98	Very high	92.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	103	175.2	-170.4	178.3	-1.3	0	0	110.4	S75 V158 C159 L160 P161 P246 L247 V248 G259 V279	S75-Q257 PolarHBondContact OG-NE2 3.16Å; S75-Q257 PolarHBondContact OG-OE1 2.94Å; S75-Q257 VanDerWaalsContact OG-OE1 3.06Å; V158-Q257 HydrophobicContact CG1-CB 4.01Å; V158-Q257 HydrophobicContact CG2-CB 4.07Å; C159-Q257 PolarHBondContact O-N 3.36Å; L160-Q257 HydrophobicContact CD2-CB 4.23Å; P161-Q257 WeakPolarHBondContact CD-O 3.31Å; P161-Q257 VanDerWaalsContact CG-O 3.31Å; P161-Q257 WeakPolarHBondContact CG-O 3.5Å; P246-Q257 HydrophobicContact CB-CG 3.95Å; L247-Q257 CarbonylContact O-C 3.52Å; V248-Q257 HydrophobicContact CG1-CB 4.33Å; Q257-G259 VanDerWaalsContact CG-O 3.27Å; Q257-G259 WeakPolarHBondContact CG-O 3.44Å; Q257-G259 PolarHBondContact NE2-O 2.9Å; Q257-V279 HydrophobicContact CG-CG2 4.14Å; Q257-V279 WeakPolarHBondContact O-CB 3.4Å
258	A	97.8	Very high	91.4	Very high	2 Å²	2	23.3 Å²	23.3	2%	0.017	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-37.5	177.1	0	0	0	0	0	112	F167 L227 L247 C249 F256 V279	F167-A258 HydrophobicContact CD2-CB 3.64Å; F167-A258 HydrophobicContact CE1-CB 4.45Å; F167-A258 HydrophobicContact CE2-CB 3.35Å; F167-A258 HydrophobicContact CG-CB 4.32Å; F167-A258 HydrophobicContact CZ-CB 3.8Å; L227-A258 HydrophobicContact CD2-CB 4.43Å; L227-A258 WeakPolarHBondContact CD2-O 3.27Å; L247-A258 PolarHBondContact O-N 3.07Å; C249-A258 WeakPolarHBondContact SG-CB 3.18Å; F256-A258 PolarHBondContact O-N 3.47Å; A258-V279 PolarHBondContact O-N 3.38Å
259	G	98	Very high	90.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	165.5	-173.8	0	0	0	0	0	114.4	L247 Q257 T277	L247-G259 PolarHBondContact N-O 3.2Å; L247-G259 PolarHBondContact O-N 3.48Å; Q257-G259 VanDerWaalsContact CG-O 3.27Å; Q257-G259 WeakPolarHBondContact CG-O 3.44Å; Q257-G259 PolarHBondContact NE2-O 2.9Å; G259-T277 CarbonylContact C-O 3.6Å; G259-T277 VanDerWaalsContact CA-O 3.3Å; G259-T277 WeakPolarHBondContact CA-O 3.42Å
260	I	98.8	Very high	89.9	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.7	167.5	-56.1	162.5	0	0	0	106.5	L83 A85 L140 G245 S262 F276 T277 V279	L83-I260 HydrophobicContact CD1-CD1 3.8Å; L83-I260 HydrophobicContact CD2-CD1 4.02Å; L83-I260 HydrophobicContact CD2-CG1 4.32Å; L83-I260 HydrophobicContact CG-CD1 3.75Å; L83-I260 HydrophobicContact CG-CG1 4.24Å; A85-I260 HydrophobicContact CB-CG2 4.16Å; L140-I260 HydrophobicContact CB-CD1 3.61Å; G245-I260 CarbonylContact O-C 3.53Å; G245-I260 WeakPolarHBondContact O-CA 3.28Å; I260-S262 PolarHBondContact O-N 3.41Å; I260-F276 CarbonylContact O-C 3.52Å; I260-F276 WeakPolarHBondContact O-CA 3.03Å; I260-F276 VanDerWaalsContact O-CB 3.31Å; I260-F276 WeakPolarHBondContact O-CB 3.34Å; I260-T277 PolarHBondContact N-O 2.94Å; I260-T277 VanDerWaalsContact N-O 3.1Å; I260-T277 PolarHBondContact O-N 3.17Å; I260-V279 HydrophobicContact CD1-CG2 4.1Å; I260-V279 HydrophobicContact CG1-CG2 3.75Å
261	T	98.1	Very high	89.4	Confident	5 Å²	5	22.4 Å²	22.4	3%	0.031	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	119.1	178	-50.5	0	0	0	0	110.2	T238 D242 G244 G245 F276	T238-T261 HydrophobicContact CG2-CG2 3.88Å; T238-T261 WeakPolarHBondContact OG1-CG2 3.21Å; D242-T261 HydrophobicContact CB-CG2 4.29Å; D242-T261 WeakPolarHBondContact O-CB 3.41Å; D242-T261 WeakPolarHBondContact O-CG2 3.09Å; D242-T261 PolarHBondContact O-OG1 3.12Å; G244-T261 PolarHBondContact N-O 2.91Å; G245-T261 PolarHBondContact O-N 2.87Å; G245-T261 PolarHBondContact O-OG1 3.06Å; T261-F276 HydrophobicContact CG2-CE1 4.41Å
262	S	96.4	Very high	89.3	Confident	6 Å²	6	21.5 Å²	21.5	4%	0.042	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-65.3	-173.8	-175.7	0	0	0	0	112.1	H87 D139 I260 V275	H87-S262 PolarHBondContact CE1-O 3.46Å; D139-S262 WeakPolarHBondContact CB-OG 3.46Å; D139-S262 WeakPolarHBondContact OD2-CB 3.3Å; D139-S262 PolarHBondContact OD2-OG 2.98Å; I260-S262 PolarHBondContact O-N 3.41Å; S262-V275 WeakPolarHBondContact CB-O 3.4Å; S262-V275 PolarHBondContact N-O 3.1Å; S262-V275 VanDerWaalsContact N-O 3.15Å
263	F	92.6	Very high	89.6	Confident	29 Å²	29	18 Å²	18	13%	0.127	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	170.1	179.5	69.3	-75	0	0	0	113.9	V134 E135 L220 M226 V275	V134-F263 HydrophobicContact CB-CB 4.26Å; V134-F263 HydrophobicContact CB-CD1 3.67Å; V134-F263 HydrophobicContact CB-CE1 4.17Å; V134-F263 HydrophobicContact CB-CG 4.07Å; V134-F263 HydrophobicContact CG2-CB 3.79Å; V134-F263 HydrophobicContact CG2-CD1 3.75Å; V134-F263 HydrophobicContact CG2-CD2 4.08Å; V134-F263 HydrophobicContact CG2-CE1 4.28Å; V134-F263 HydrophobicContact CG2-CG 3.63Å; V134-F263 WeakPolarHBondContact O-CE1 3.44Å; E135-F263 HydrophobicContact CG-CE2 4.13Å; E135-F263 HydrophobicContact CG-CZ 4.37Å; L220-F263 HydrophobicContact CD1-CE2 4.16Å; L220-F263 HydrophobicContact CD1-CZ 4.18Å; L220-F263 HydrophobicContact CD2-CE2 3.59Å; L220-F263 HydrophobicContact CD2-CZ 3.73Å; M226-F263 HydrophobicContact CE-CE1 4.06Å; M226-F263 HydrophobicContact CE-CZ 4.22Å; F263-V275 HydrophobicContact CD1-CB 3.98Å; F263-V275 HydrophobicContact CD1-CG1 4.16Å; F263-V275 HydrophobicContact CE1-CB 3.87Å; F263-V275 HydrophobicContact CE1-CG1 3.63Å; F263-V275 HydrophobicContact CE1-CG2 4.39Å; F263-V275 HydrophobicContact CE2-CG2 4.34Å; F263-V275 HydrophobicContact CG-CB 4.41Å; F263-V275 HydrophobicContact CZ-CB 4.19Å; F263-V275 HydrophobicContact CZ-CG1 4.06Å; F263-V275 HydrophobicContact CZ-CG2 4.21Å; F263-V275 PolarHBondContact N-O 2.67Å; F263-V275 VanDerWaalsContact N-O 3.15Å; F263-V275 WeakPolarHBondContact O-CA 3.07Å; F263-V275 WeakPolarHBondContact O-CB 3.39Å; F263-V275 PolarHBondContact O-N 2.85Å
264	G	87.2	Confident	89.9	Confident	32 Å²	32	16 Å²	16	33%	0.33	9%	0.091	S	C	.	.			trans	-153.9	172.7	175.2	0	0	0	0	0	111.4
265	F	81.8	Confident	90.1	Very high	40 Å²	40	13.8 Å²	13.8	18%	0.175	8%	0.082	C	C	.	.	S	Bend	trans	-105.1	84.1	169.9	-72	-27.6	0	0	0	108.8	Y210 L218 L220 R269 R272	Y210-F265 HydrophobicContact CD1-CD2 4.01Å; Y210-F265 AromaticContact CD1-CE2 3.84Å; Y210-F265 HydrophobicContact CD1-CE2 3.84Å; Y210-F265 AromaticContact CE1-CD2 3.52Å; Y210-F265 HydrophobicContact CE1-CD2 3.52Å; Y210-F265 AromaticContact CE1-CE2 3.67Å; Y210-F265 HydrophobicContact CE1-CE2 3.67Å; Y210-F265 HydrophobicContact CE1-CG 4.29Å; L218-F265 HydrophobicContact CB-CD2 4.18Å; L218-F265 HydrophobicContact CB-CE2 3.76Å; L218-F265 HydrophobicContact CB-CZ 3.99Å; L218-F265 HydrophobicContact CD1-CD1 4.27Å; L218-F265 HydrophobicContact CD1-CE1 4.25Å; L218-F265 HydrophobicContact CD1-CZ 4.46Å; L220-F265 HydrophobicContact CB-CE2 4.17Å; L220-F265 HydrophobicContact CB-CZ 4.27Å; F265-R269 WeakPolarHBondContact O-CD 3.39Å; F265-R272 HydrophobicContact CB-CG 4.4Å
266	G	79.8	Confident	90.3	Very high	21 Å²	21	12.8 Å²	12.8	22%	0.216	8%	0.079	C	C	.	.	S	Bend	trans	76.1	-173.1	-161.2	0	0	0	0	0	112.2	E183	E183-G266 VanDerWaalsContact OE1-CA 3.32Å; E183-G266 WeakPolarHBondContact OE1-CA 3.11Å; E183-G266 WeakPolarHBondContact OE2-CA 3.31Å
267	C	82.4	Confident	90.3	Very high	21 Å²	21	12.6 Å²	12.6	14%	0.142	8%	0.078	C	C	.	.	S	Bend	trans	-117.5	114.8	-179.5	-51.6	0	0	0	0	110.3	E183 C239 R269	E183-C267 HydrophobicContact CB-CB 3.97Å; E183-C267 PolarHBondContact OE2-N 2.04Å; C239-C267 WeakPolarHBondContact CA-SG 3.21Å; C239-C267 HydrophobicContact CB-CB 3.67Å; C239-C267 WeakPolarHBondContact CB-SG 3.32Å; C239-C267 WeakPolarHBondContact SG-CB 3.22Å; C239-C267 CovalentContact SG-SG 2.04Å; C239-C267 PolarHBondContact SG-SG 3.32Å; C267-R269 VanDerWaalsContact C-N 3.25Å; C267-R269 PolarHBondContact O-N 3.18Å
268	G	80.6	Confident	90.3	Very high	15 Å²	15	13.2 Å²	13.2	16%	0.155	8%	0.083	C	C	.	.	S	Bend	trans	68.5	20.1	176.1	0	0	0	0	0	115	G234 R235 D237	G234-G268 CarbonylContact C-O 3.58Å; G234-G268 WeakPolarHBondContact CA-O 3.1Å; R235-G268 PolarHBondContact N-O 3.13Å; D237-G268 PolarHBondContact OD2-N 3.02Å
269	R	80.3	Confident	90.3	Very high	28 Å²	28	13.1 Å²	13.1	11%	0.106	8%	0.083	C	C	.	.			trans	-67.4	154.6	174.9	-61.6	-167.5	-172.4	-173.9	4.1	111.7	E183 F265 C267 N271 R272	E183-R269 IonicContact OE1-CZ 3.81Å; E183-R269 IonicContact OE1-NE 3.59Å; E183-R269 PolarHBondContact OE1-NE 3.2Å; E183-R269 IonicContact OE1-NH2 2.85Å; E183-R269 PolarHBondContact OE1-NH2 2.88Å; E183-R269 IonicContact OE2-CZ 3.89Å; E183-R269 IonicContact OE2-NE 2.98Å; E183-R269 PolarHBondContact OE2-NE 3.15Å; E183-R269 IonicContact OE2-NH2 2.82Å; E183-R269 PolarHBondContact OE2-NH2 2.75Å; F265-R269 WeakPolarHBondContact O-CD 3.39Å; C267-R269 VanDerWaalsContact C-N 3.25Å; C267-R269 PolarHBondContact O-N 3.18Å; R269-N271 PolarHBondContact O-N 2.9Å; R269-R272 HydrophobicContact CB-CB 4.15Å; R269-R272 HydrophobicContact CB-CG 4.29Å; R269-R272 PolarHBondContact O-N 3.29Å
270	R	81.8	Confident	90.2	Very high	19 Å²	19	13.7 Å²	13.7	7%	0.072	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	133.7	-177.6	170.5	171.3	-67	-62.6	-12.3	111	R272 A320 L321 E559 D560	R270-R272 PolarHBondContact O-N 2.78Å; R270-A320 VanDerWaalsContact CD-O 3.27Å; R270-A320 WeakPolarHBondContact CD-O 3.08Å; R270-A320 VanDerWaalsContact NH1-C 3.29Å; R270-A320 PolarHBondContact NH1-O 2.93Å; R270-L321 PolarHBondContact NH1-O 3.1Å; R270-E559 IonicContact CZ-OE1 3.23Å; R270-E559 IonicContact CZ-OE2 3.17Å; R270-E559 IonicContact NE-OE1 2.7Å; R270-E559 IonicContact NE-OE2 3.81Å; R270-E559 PolarHBondContact NE-OE2 2.71Å; R270-E559 IonicContact NH2-OE1 2.84Å; R270-E559 PolarHBondContact NH2-OE1 3.1Å; R270-E559 IonicContact NH2-OE2 3.98Å; R270-E559 PolarHBondContact NH2-OE2 3.22Å; R270-D560 WeakPolarHBondContact CB-OD1 3.37Å; R270-D560 PolarHBondContact N-OD1 2.91Å
271	N	82.3	Confident	90	Very high	20 Å²	20	17.2 Å²	17.2	11%	0.107	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	16.1	-176.6	-57.1	-65	0	0	0	115.2	L209 P232 R269 P273 I319 A320	L209-N271 HydrophobicContact CD2-CB 3.95Å; P232-N271 PolarHBondContact O-N 3.1Å; R269-N271 PolarHBondContact O-N 2.9Å; N271-P273 WeakPolarHBondContact O-CD 3.29Å; N271-I319 VanDerWaalsContact ND2-CG2 3.32Å; N271-I319 WeakPolarHBondContact ND2-CG2 3.28Å; N271-A320 PolarHBondContact ND2-O 2.86Å; N271-A320 PolarHBondContact OD1-N 3.28Å
272	R	86	Confident	89.9	Confident	18 Å²	18	18.6 Å²	18.6	7%	0.068	11%	0.113	C	C	.	.			trans	-119	80.4	176.2	-60.3	-50.9	-155.7	-171.8	13.6	110.6	L209 Q212 L218 F265 R269 R270	L209-R272 PolarHBondContact O-NH1 2.93Å; Q212-R272 PolarHBondContact O-NH1 3.15Å; L218-R272 PolarHBondContact O-NH2 3.09Å; F265-R272 HydrophobicContact CB-CG 4.4Å; R269-R272 HydrophobicContact CB-CB 4.15Å; R269-R272 HydrophobicContact CB-CG 4.29Å; R269-R272 PolarHBondContact O-N 3.29Å; R270-R272 PolarHBondContact O-N 2.78Å
273	P	90.5	Very high	89.9	Confident	3 Å²	3	19.4 Å²	19.4	2%	0.019	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-78.2	138.9	179.8	32.6	-34.4	0	0	0	111.5	L201 L209 Y210 C228 N271	L201-P273 HydrophobicContact CD1-CB 3.53Å; L201-P273 HydrophobicContact CD1-CG 3.49Å; L201-P273 VanDerWaalsContact CD1-CG 3.49Å; L209-P273 HydrophobicContact CD1-CG 4.1Å; Y210-P273 HydrophobicContact CE2-CG 4.17Å; Y210-P273 PolarHBondContact OH-O 2.92Å; C228-P273 HydrophobicContact CB-CG 4.4Å; N271-P273 WeakPolarHBondContact O-CD 3.29Å
274	G	93.1	Very high	90	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	142.2	177.4	0	0	0	0	0	114.5	C228 A229 D237 F276	C228-G274 VanDerWaalsContact CA-O 3.29Å; C228-G274 WeakPolarHBondContact CA-O 3.34Å; A229-G274 PolarHBondContact N-O 3.4Å; A229-G274 PolarHBondContact O-N 2.8Å; D237-G274 WeakPolarHBondContact OD1-CA 3.37Å; D237-G274 PolarHBondContact OD1-N 2.59Å; G274-F276 WeakPolarHBondContact O-CD2 3.48Å; G274-F276 WeakPolarHBondContact O-CE2 3.36Å
275	V	95.8	Very high	90.4	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	133.6	179.1	-171.5	0	0	0	0	110.1	Y210 L220 I222 M226 S262 F263	Y210-V275 HydrophobicContact CE2-CG2 3.93Å; Y210-V275 WeakPolarHBondContact OH-CG2 3.42Å; L220-V275 HydrophobicContact CD2-CG2 4.29Å; I222-V275 HydrophobicContact CD1-CG2 4.48Å; M226-V275 HydrophobicContact CB-CG1 4.08Å; M226-V275 HydrophobicContact CG-CG1 4.19Å; M226-V275 HydrophobicContact SD-CG1 4.14Å; S262-V275 WeakPolarHBondContact CB-O 3.4Å; S262-V275 PolarHBondContact N-O 3.1Å; S262-V275 VanDerWaalsContact N-O 3.15Å; F263-V275 HydrophobicContact CD1-CB 3.98Å; F263-V275 HydrophobicContact CD1-CG1 4.16Å; F263-V275 HydrophobicContact CE1-CB 3.87Å; F263-V275 HydrophobicContact CE1-CG1 3.63Å; F263-V275 HydrophobicContact CE1-CG2 4.39Å; F263-V275 HydrophobicContact CE2-CG2 4.34Å; F263-V275 HydrophobicContact CG-CB 4.41Å; F263-V275 HydrophobicContact CZ-CB 4.19Å; F263-V275 HydrophobicContact CZ-CG1 4.06Å; F263-V275 HydrophobicContact CZ-CG2 4.21Å; F263-V275 PolarHBondContact N-O 2.67Å; F263-V275 VanDerWaalsContact N-O 3.15Å; F263-V275 WeakPolarHBondContact O-CA 3.07Å; F263-V275 WeakPolarHBondContact O-CB 3.39Å; F263-V275 PolarHBondContact O-N 2.85Å
276	F	97.9	Very high	91.1	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	142.3	-175.7	-59.3	-104.9	0	0	0	110.9	L198 M226 L227 A229 T238 L247 I260 T261 G274 A278	L198-F276 HydrophobicContact CD1-CE2 4.36Å; L198-F276 HydrophobicContact CD1-CZ 3.9Å; M226-F276 CarbonylContact C-O 3.59Å; M226-F276 WeakPolarHBondContact CA-O 3.48Å; L227-F276 HydrophobicContact CD1-CB 3.75Å; L227-F276 HydrophobicContact CD1-CD2 4.15Å; L227-F276 HydrophobicContact CD1-CG 4.22Å; L227-F276 HydrophobicContact CG-CB 4.16Å; L227-F276 PolarHBondContact N-O 3.23Å; L227-F276 PolarHBondContact O-N 2.82Å; A229-F276 HydrophobicContact CB-CD2 4.08Å; A229-F276 HydrophobicContact CB-CE2 3.72Å; A229-F276 HydrophobicContact CB-CZ 4.46Å; T238-F276 HydrophobicContact CG2-CE1 4.05Å; T238-F276 HydrophobicContact CG2-CZ 3.99Å; L247-F276 HydrophobicContact CB-CD1 3.73Å; L247-F276 HydrophobicContact CB-CE1 3.89Å; L247-F276 HydrophobicContact CB-CG 4.45Å; L247-F276 HydrophobicContact CD1-CE1 4.33Å; L247-F276 HydrophobicContact CD1-CZ 4.41Å; L247-F276 HydrophobicContact CD2-CD1 4.13Å; L247-F276 HydrophobicContact CD2-CD2 4.21Å; L247-F276 HydrophobicContact CD2-CE1 4.37Å; L247-F276 HydrophobicContact CD2-CE2 4.45Å; L247-F276 HydrophobicContact CD2-CG 4.08Å; L247-F276 HydrophobicContact CG-CD1 4.43Å; L247-F276 HydrophobicContact CG-CE1 4.42Å; I260-F276 CarbonylContact O-C 3.52Å; I260-F276 WeakPolarHBondContact O-CA 3.03Å; I260-F276 VanDerWaalsContact O-CB 3.31Å; I260-F276 WeakPolarHBondContact O-CB 3.34Å; T261-F276 HydrophobicContact CG2-CE1 4.41Å; G274-F276 WeakPolarHBondContact O-CD2 3.48Å; G274-F276 WeakPolarHBondContact O-CE2 3.36Å; F276-A278 PolarHBondContact O-N 2.98Å
277	T	97.8	Very high	91.8	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.018	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	117.4	170.9	-59.2	0	0	0	0	109.7	D139 L140 G259 I260 V279 Y282	D139-T277 WeakPolarHBondContact O-CB 3.39Å; D139-T277 PolarHBondContact O-OG1 3.03Å; L140-T277 HydrophobicContact CB-CG2 4.17Å; L140-T277 HydrophobicContact CD2-CG2 4.19Å; G259-T277 CarbonylContact C-O 3.6Å; G259-T277 VanDerWaalsContact CA-O 3.3Å; G259-T277 WeakPolarHBondContact CA-O 3.42Å; I260-T277 PolarHBondContact N-O 2.94Å; I260-T277 VanDerWaalsContact N-O 3.1Å; I260-T277 PolarHBondContact O-N 3.17Å; T277-V279 PolarHBondContact O-N 3.44Å; T277-V279 VanDerWaalsContact O-N 3.09Å; T277-Y282 HydrophobicContact CG2-CD2 3.81Å; T277-Y282 HydrophobicContact CG2-CE2 3.39Å
278	A	97.2	Very high	92.4	Very high	12 Å²	12	29 Å²	29	10%	0.099	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	93.3	-172.4	0	0	0	0	0	111.4	G225 L227 F276 A280 T281	G225-A278 WeakPolarHBondContact O-CB 3.38Å; G225-A278 PolarHBondContact O-N 3.31Å; L227-A278 HydrophobicContact CB-CB 4.07Å; L227-A278 HydrophobicContact CD2-CB 3.86Å; L227-A278 HydrophobicContact CG-CB 4.07Å; F276-A278 PolarHBondContact O-N 2.98Å; A278-A280 VanDerWaalsContact C-N 3.26Å; A278-A280 PolarHBondContact O-N 3.07Å; A278-A280 VanDerWaalsContact O-N 3.07Å; A278-T281 VanDerWaalsContact O-CB 3.29Å; A278-T281 WeakPolarHBondContact O-CB 3.43Å; A278-T281 PolarHBondContact O-N 3.47Å; A278-T281 PolarHBondContact O-OG1 3.08Å
279	V	97.7	Very high	93	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.006	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-50.5	-39.5	-167.2	176.2	0	0	0	0	113.8	L83 L160 P161 Q257 A258 I260 T277 T281 Y282 I286	L83-V279 HydrophobicContact CD2-CG1 4.21Å; L83-V279 HydrophobicContact CD2-CG2 4.3Å; L160-V279 HydrophobicContact CD2-CG1 4.11Å; P161-V279 HydrophobicContact CG-CB 4.36Å; P161-V279 HydrophobicContact CG-CG1 4.3Å; Q257-V279 HydrophobicContact CG-CG2 4.14Å; Q257-V279 WeakPolarHBondContact O-CB 3.4Å; A258-V279 PolarHBondContact O-N 3.38Å; I260-V279 HydrophobicContact CD1-CG2 4.1Å; I260-V279 HydrophobicContact CG1-CG2 3.75Å; T277-V279 PolarHBondContact O-N 3.44Å; T277-V279 VanDerWaalsContact O-N 3.09Å; V279-T281 PolarHBondContact O-N 3.03Å; V279-T281 VanDerWaalsContact O-N 3.16Å; V279-Y282 PolarHBondContact O-N 3.28Å; V279-I286 HydrophobicContact CG1-CD1 4.13Å
280	A	95.8	Very high	93.5	Very high	11 Å²	11	30.5 Å²	30.5	9%	0.091	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-54.7	-35.7	179.1	0	0	0	0	0	112.7	P161 A163 A278 Y282 E283	P161-A280 HydrophobicContact CB-CB 4.19Å; P161-A280 HydrophobicContact CG-CB 3.92Å; A163-A280 WeakPolarHBondContact CA-O 3.41Å; A163-A280 VanDerWaalsContact CB-O 3.31Å; A163-A280 WeakPolarHBondContact CB-O 3.36Å; A278-A280 VanDerWaalsContact C-N 3.26Å; A278-A280 PolarHBondContact O-N 3.07Å; A278-A280 VanDerWaalsContact O-N 3.07Å; A280-Y282 PolarHBondContact O-N 2.9Å; A280-E283 PolarHBondContact O-N 2.87Å
281	T	95.4	Very high	93.6	Very high	74 Å²	74	36.7 Å²	36.7	45%	0.454	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-62.7	-24.8	178.7	-48.3	0	0	0	0	112.4	A278 V279	A278-T281 VanDerWaalsContact O-CB 3.29Å; A278-T281 WeakPolarHBondContact O-CB 3.43Å; A278-T281 PolarHBondContact O-N 3.47Å; A278-T281 PolarHBondContact O-OG1 3.08Å; V279-T281 PolarHBondContact O-N 3.03Å; V279-T281 VanDerWaalsContact O-N 3.16Å
282	Y	96.3	Very high	93.2	Very high	34 Å²	34	39.6 Å²	39.6	13%	0.133	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-107.1	7.7	-172.1	-60.3	-83.6	0	0	0	114.2	A138 L140 T277 V279 A280 A284 W285 I286	A138-Y282 WeakPolarHBondContact CA-OH 3.38Å; A138-Y282 HydrophobicContact CB-CE1 4.12Å; A138-Y282 PolarHBondContact N-OH 2.85Å; L140-Y282 HydrophobicContact CD1-CD1 4.06Å; L140-Y282 HydrophobicContact CD1-CD2 4.22Å; L140-Y282 HydrophobicContact CD1-CG 3.68Å; L140-Y282 HydrophobicContact CD2-CD1 3.58Å; L140-Y282 HydrophobicContact CD2-CD2 4.26Å; L140-Y282 HydrophobicContact CD2-CE1 3.7Å; L140-Y282 HydrophobicContact CD2-CE2 4.37Å; L140-Y282 HydrophobicContact CD2-CG 3.89Å; L140-Y282 HydrophobicContact CG-CG 4.49Å; T277-Y282 HydrophobicContact CG2-CD2 3.81Å; T277-Y282 HydrophobicContact CG2-CE2 3.39Å; V279-Y282 PolarHBondContact O-N 3.28Å; A280-Y282 PolarHBondContact O-N 2.9Å; Y282-A284 PolarHBondContact O-N 2.8Å; Y282-A284 VanDerWaalsContact O-N 3.13Å; Y282-W285 PolarHBondContact O-N 3.08Å; Y282-I286 WeakPolarHBondContact O-CG1 3.49Å; Y282-I286 PolarHBondContact O-N 3.18Å
283	E	95.8	Very high	92.6	Very high	24 Å²	24	39.9 Å²	39.9	11%	0.112	23%	0.229	C	C	.	.	H	α-helix	trans	-46.9	-45.9	177.7	169.1	174.8	-155.4	0	0	112.3	R162 A163 A280 W285 I286 R287 F299	R162-E283 VanDerWaalsContact CA-OE2 3.27Å; R162-E283 WeakPolarHBondContact CA-OE2 3.47Å; A163-E283 HydrophobicContact CB-CB 4.19Å; A163-E283 PolarHBondContact N-OE2 2.77Å; A280-E283 PolarHBondContact O-N 2.87Å; E283-W285 PolarHBondContact O-N 3.37Å; E283-I286 PolarHBondContact O-N 3.18Å; E283-R287 HydrophobicContact CG-CG 4.25Å; E283-R287 WeakPolarHBondContact O-CB 3.46Å; E283-R287 VanDerWaalsContact O-CG 3.29Å; E283-R287 WeakPolarHBondContact O-CG 3.5Å; E283-R287 PolarHBondContact O-N 3.12Å; E283-R287 IonicContact OE1-CZ 3.36Å; E283-R287 IonicContact OE1-NE 3.55Å; E283-R287 PolarHBondContact OE1-NE 3.04Å; E283-R287 IonicContact OE1-NH2 2.99Å; E283-R287 PolarHBondContact OE1-NH2 3.27Å; E283-F299 HydrophobicContact CB-CD1 4.48Å; E283-F299 HydrophobicContact CB-CE1 3.93Å; E283-F299 HydrophobicContact CG-CD1 3.88Å; E283-F299 HydrophobicContact CG-CE1 3.59Å; E283-F299 HydrophobicContact CG-CZ 4.1Å
284	A	95.1	Very high	92	Very high	77 Å²	77	47.3 Å²	47.3	64%	0.636	26%	0.263	S	S	*	.	H	α-helix	trans	-63	-42.2	-177.7	0	0	0	0	0	112.6	Y282 E288	Y282-A284 PolarHBondContact O-N 2.8Å; Y282-A284 VanDerWaalsContact O-N 3.13Å; A284-E288 WeakPolarHBondContact O-CB 3.46Å; A284-E288 PolarHBondContact O-N 2.8Å
285	W	96.1	Very high	91.4	Very high	44 Å²	44	50 Å²	50	17%	0.167	28%	0.28	C	S	.	.	H	α-helix	trans	-70.1	-44.5	177.3	179.2	81.4	0	0	0	111.2	V126 P128 L140 L142 Y282 E283 R287 E288 Q289	V126-W285 HydrophobicContact CG1-CZ2 4.07Å; P128-W285 HydrophobicContact CG-CH2 4.28Å; P128-W285 HydrophobicContact CG-CZ2 3.91Å; L140-W285 HydrophobicContact CD1-CE3 3.64Å; L140-W285 HydrophobicContact CD1-CZ3 3.6Å; L140-W285 HydrophobicContact CG-CE3 4.15Å; L140-W285 HydrophobicContact CG-CH2 4.4Å; L140-W285 HydrophobicContact CG-CZ3 3.78Å; L142-W285 HydrophobicContact CB-CH2 4.47Å; L142-W285 HydrophobicContact CD1-CE3 4.29Å; L142-W285 HydrophobicContact CD1-CH2 4.08Å; L142-W285 HydrophobicContact CD1-CZ3 3.7Å; L142-W285 HydrophobicContact CG-CH2 4.15Å; L142-W285 HydrophobicContact CG-CZ3 3.86Å; Y282-W285 PolarHBondContact O-N 3.08Å; E283-W285 PolarHBondContact O-N 3.37Å; W285-R287 VanDerWaalsContact C-N 3.33Å; W285-R287 PolarHBondContact O-N 2.76Å; W285-E288 WeakPolarHBondContact O-CB 3.31Å; W285-E288 PolarHBondContact O-N 3.39Å; W285-E288 VanDerWaalsContact O-N 3.14Å; W285-Q289 HydrophobicContact CD2-CG 4.1Å; W285-Q289 HydrophobicContact CH2-CG 4.41Å; W285-Q289 HydrophobicContact CZ2-CG 3.89Å; W285-Q289 WeakPolarHBondContact O-CG 3.5Å; W285-Q289 PolarHBondContact O-N 3.15Å
286	I	96.5	Very high	90.9	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-58.1	-47.8	176.8	-64.2	170.6	0	0	0	109.9	I77 L83 L140 L142 L160 V279 Y282 E283 E288 Q289 V290 F299	I77-I286 HydrophobicContact CD1-CG2 4.15Å; L83-I286 HydrophobicContact CD1-CD1 4.33Å; L83-I286 HydrophobicContact CD2-CD1 4.23Å; L140-I286 HydrophobicContact CD1-CD1 4.48Å; L140-I286 HydrophobicContact CD1-CG1 4.37Å; L142-I286 HydrophobicContact CD1-CG2 4.36Å; L160-I286 HydrophobicContact CD1-CD1 4.4Å; L160-I286 HydrophobicContact CD1-CG2 4.03Å; V279-I286 HydrophobicContact CG1-CD1 4.13Å; Y282-I286 WeakPolarHBondContact O-CG1 3.49Å; Y282-I286 PolarHBondContact O-N 3.18Å; E283-I286 PolarHBondContact O-N 3.18Å; I286-E288 VanDerWaalsContact C-N 3.33Å; I286-E288 PolarHBondContact O-N 3.49Å; I286-Q289 PolarHBondContact O-N 2.69Å; I286-V290 WeakPolarHBondContact O-CG1 3.4Å; I286-V290 VanDerWaalsContact O-CG2 3.24Å; I286-V290 WeakPolarHBondContact O-CG2 3.23Å; I286-V290 PolarHBondContact O-N 2.98Å; I286-F299 HydrophobicContact CB-CZ 4.41Å; I286-F299 HydrophobicContact CG2-CZ 4.05Å
287	R	94.3	Very high	90.6	Very high	109 Å²	109	51.7 Å²	51.7	41%	0.411	30%	0.296	S	S	.	.	H	α-helix	trans	-59.5	-39.6	176.2	-76.4	179.9	-179.5	-85.2	6	113	E283 W285 M291 F299	E283-R287 HydrophobicContact CG-CG 4.25Å; E283-R287 WeakPolarHBondContact O-CB 3.46Å; E283-R287 VanDerWaalsContact O-CG 3.29Å; E283-R287 WeakPolarHBondContact O-CG 3.5Å; E283-R287 PolarHBondContact O-N 3.12Å; E283-R287 IonicContact OE1-CZ 3.36Å; E283-R287 IonicContact OE1-NE 3.55Å; E283-R287 PolarHBondContact OE1-NE 3.04Å; E283-R287 IonicContact OE1-NH2 2.99Å; E283-R287 PolarHBondContact OE1-NH2 3.27Å; W285-R287 VanDerWaalsContact C-N 3.33Å; W285-R287 PolarHBondContact O-N 2.76Å; R287-M291 WeakPolarHBondContact O-CG 3.31Å; R287-M291 PolarHBondContact O-N 2.86Å; R287-F299 HydrophobicContact CG-CD2 4.49Å; R287-F299 HydrophobicContact CG-CE2 3.82Å; R287-F299 HydrophobicContact CG-CZ 4.07Å
288	E	94.2	Very high	90.3	Very high	113 Å²	113	51.9 Å²	51.9	53%	0.528	30%	0.297	S	S	.	.	H	α-helix	trans	-63.7	-47.3	178.8	-176	179.5	-143.2	0	0	111.8	A284 W285 I286 V290 M291	A284-E288 WeakPolarHBondContact O-CB 3.46Å; A284-E288 PolarHBondContact O-N 2.8Å; W285-E288 WeakPolarHBondContact O-CB 3.31Å; W285-E288 PolarHBondContact O-N 3.39Å; W285-E288 VanDerWaalsContact O-N 3.14Å; I286-E288 VanDerWaalsContact C-N 3.33Å; I286-E288 PolarHBondContact O-N 3.49Å; E288-V290 PolarHBondContact O-N 3.4Å; E288-M291 HydrophobicContact CG-CE 4.36Å; E288-M291 WeakPolarHBondContact O-CG 3.23Å; E288-M291 PolarHBondContact O-N 2.62Å
289	Q	93.6	Very high	90	Very high	64 Å²	64	51.8 Å²	51.8	30%	0.299	30%	0.295	S	S	.	.	H	α-helix	trans	-71.7	-27.7	-176.6	-56.5	-44.3	-57.3	0	0	113.4	V126 L142 W285 I286	V126-Q289 HydrophobicContact CG1-CG 4.02Å; L142-Q289 HydrophobicContact CD1-CB 3.71Å; L142-Q289 HydrophobicContact CD1-CG 4.21Å; W285-Q289 HydrophobicContact CD2-CG 4.1Å; W285-Q289 HydrophobicContact CH2-CG 4.41Å; W285-Q289 HydrophobicContact CZ2-CG 3.89Å; W285-Q289 WeakPolarHBondContact O-CG 3.5Å; W285-Q289 PolarHBondContact O-N 3.15Å; I286-Q289 PolarHBondContact O-N 2.69Å
290	V	90.9	Very high	89.6	Confident	12 Å²	12	52.7 Å²	52.7	7%	0.073	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	7.5	179.3	-51.9	0	0	0	0	114	W81 L142 I286 E288 G292 S293 P297	W81-V290 HydrophobicContact CD2-CG1 3.76Å; W81-V290 HydrophobicContact CE3-CG1 4.26Å; W81-V290 HydrophobicContact CG-CG1 3.99Å; W81-V290 HydrophobicContact CZ2-CB 4.27Å; W81-V290 HydrophobicContact CZ2-CG1 4.06Å; L142-V290 HydrophobicContact CD1-CG1 4.16Å; I286-V290 WeakPolarHBondContact O-CG1 3.4Å; I286-V290 VanDerWaalsContact O-CG2 3.24Å; I286-V290 WeakPolarHBondContact O-CG2 3.23Å; I286-V290 PolarHBondContact O-N 2.98Å; E288-V290 PolarHBondContact O-N 3.4Å; V290-G292 PolarHBondContact O-N 3.12Å; V290-S293 PolarHBondContact O-N 3.39Å; V290-S293 PolarHBondContact O-OG 3.34Å; V290-P297 HydrophobicContact CB-CG 4.35Å; V290-P297 HydrophobicContact CG1-CG 4.13Å; V290-P297 HydrophobicContact CG2-CG 3.96Å
291	M	82.6	Confident	88.9	Confident	149 Å²	149	57.2 Å²	57.2	73%	0.734	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	125.3	-179.5	-75.1	-159.1	-67.6	0	0	112	R287 E288	R287-M291 WeakPolarHBondContact O-CG 3.31Å; R287-M291 PolarHBondContact O-N 2.86Å; E288-M291 HydrophobicContact CG-CE 4.36Å; E288-M291 WeakPolarHBondContact O-CG 3.23Å; E288-M291 PolarHBondContact O-N 2.62Å
292	G	73.9	Confident	88.1	Confident	81 Å²	81	54.3 Å²	54.3	84%	0.835	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.4	1.5	178.4	0	0	0	0	0	115.4	V290	V290-G292 PolarHBondContact O-N 3.12Å
293	S	74.1	Confident	86.7	Confident	24 Å²	24	56.5 Å²	56.5	17%	0.168	33%	0.327	C	S	.	.			trans	-86.8	129.3	164.4	66.5	0	0	0	0	111	W81 V290 G296	W81-S293 VanDerWaalsContact NE1-CB 3.31Å; W81-S293 PolarHBondContact NE1-OG 3.45Å; V290-S293 PolarHBondContact O-N 3.39Å; V290-S293 PolarHBondContact O-OG 3.34Å; S293-G296 WeakPolarHBondContact O-CA 3.44Å; S293-G296 PolarHBondContact O-N 2.86Å
294	E	77.6	Confident	84.8	Confident	158 Å²	158	64.4 Å²	64.4	74%	0.738	36%	0.364	S	S	*	.	S	Bend	trans	-124.6	129.7	177.7	-72.6	-66.6	177.4	0	0	111.2
295	P	81.1	Confident	82.9	Confident	58 Å²	58	69.5 Å²	69.5	38%	0.377	37%	0.372	S	S	.	.	S	Bend	cis	-71.3	138.9	-9.9	30.9	-33.7	0	0	0	111.3	L36 P79	L36-P295 HydrophobicContact CD1-CB 4.34Å; L36-P295 HydrophobicContact CD1-CG 4.07Å; P79-P295 HydrophobicContact CG-CG 3.82Å
296	G	85.5	Confident	80.3	Confident	23 Å²	23	73.2 Å²	73.2	24%	0.237	40%	0.402	C	S	.	.			trans	-82.7	179.3	174.7	0	0	0	0	0	113.9	L36 S293	L36-G296 WeakPolarHBondContact CD2-O 3.31Å; S293-G296 WeakPolarHBondContact O-CA 3.44Å; S293-G296 PolarHBondContact O-N 2.86Å
297	P	90.6	Very high	77.9	Confident	15 Å²	15	81.1 Å²	81.1	10%	0.097	44%	0.439	C	S	.	.			trans	-66.8	137.3	178.4	-20.5	33.6	0	0	0	113.1	I77 A78 L160 V290 F299	I77-P297 HydrophobicContact CB-CB 4.27Å; I77-P297 HydrophobicContact CB-CG 4.5Å; I77-P297 HydrophobicContact CD1-CB 4.06Å; I77-P297 HydrophobicContact CD1-CG 3.62Å; I77-P297 HydrophobicContact CG1-CB 4.3Å; I77-P297 HydrophobicContact CG1-CG 3.99Å; I77-P297 WeakPolarHBondContact O-CA 3.35Å; A78-P297 HydrophobicContact CB-CG 4.02Å; L160-P297 HydrophobicContact CD1-CB 3.89Å; V290-P297 HydrophobicContact CB-CG 4.35Å; V290-P297 HydrophobicContact CG1-CG 4.13Å; V290-P297 HydrophobicContact CG2-CG 3.96Å; P297-F299 HydrophobicContact CB-CE2 4.12Å; P297-F299 WeakPolarHBondContact O-CD2 3.23Å
298	A	91.6	Very high	75.3	Confident	6 Å²	6	81 Å²	81	5%	0.05	45%	0.454	C	S	.	.			trans	-86.5	130.2	-177.7	0	0	0	0	0	112.7	L36 C38 L160 P300	L36-A298 HydrophobicContact CB-CB 4.26Å; C38-A298 HydrophobicContact CB-CB 4.12Å; C38-A298 VanDerWaalsContact SG-CB 3.58Å; L160-A298 PolarHBondContact N-O 3.06Å; A298-P300 WeakPolarHBondContact O-CD 3.16Å
299	F	91.5	Very high	72.5	Confident	11 Å²	11	82.6 Å²	82.6	5%	0.048	47%	0.467	C	S	.	.			trans	-121	64.8	175.7	-64.8	-95	0	0	0	110.6	L160 R162 E283 I286 R287 P297	L160-F299 HydrophobicContact CB-CD1 3.59Å; L160-F299 HydrophobicContact CB-CE1 3.42Å; L160-F299 VanDerWaalsContact CB-CE1 3.42Å; L160-F299 HydrophobicContact CB-CG 4.26Å; L160-F299 HydrophobicContact CB-CZ 3.99Å; L160-F299 HydrophobicContact CD1-CE1 3.89Å; L160-F299 HydrophobicContact CD1-CE2 4.22Å; L160-F299 HydrophobicContact CD1-CZ 3.61Å; L160-F299 HydrophobicContact CG-CE1 4.32Å; L160-F299 HydrophobicContact CG-CZ 4.44Å; L160-F299 WeakPolarHBondContact O-CA 3.46Å; R162-F299 HydrophobicContact CG-CB 4.25Å; R162-F299 VanDerWaalsContact CZ-O 3.29Å; R162-F299 PolarHBondContact NE-O 3.38Å; R162-F299 PolarHBondContact NH2-O 2.97Å; E283-F299 HydrophobicContact CB-CD1 4.48Å; E283-F299 HydrophobicContact CB-CE1 3.93Å; E283-F299 HydrophobicContact CG-CD1 3.88Å; E283-F299 HydrophobicContact CG-CE1 3.59Å; E283-F299 HydrophobicContact CG-CZ 4.1Å; I286-F299 HydrophobicContact CB-CZ 4.41Å; I286-F299 HydrophobicContact CG2-CZ 4.05Å; R287-F299 HydrophobicContact CG-CD2 4.49Å; R287-F299 HydrophobicContact CG-CE2 3.82Å; R287-F299 HydrophobicContact CG-CZ 4.07Å; P297-F299 HydrophobicContact CB-CE2 4.12Å; P297-F299 WeakPolarHBondContact O-CD2 3.23Å
300	P	88.8	Confident	70.1	Confident	19 Å²	19	84.2 Å²	84.2	12%	0.123	48%	0.482	C	S	.	.			trans	-68.7	150.6	-174.7	28.5	-34	0	0	0	111.7	C159 F256 A298 Q302	C159-P300 HydrophobicContact CB-CG 4.05Å; F256-P300 HydrophobicContact CE1-CG 3.71Å; F256-P300 HydrophobicContact CZ-CG 3.91Å; A298-P300 WeakPolarHBondContact O-CD 3.16Å; P300-Q302 PolarHBondContact O-N 3.09Å
301	T	81.9	Confident	67.5	Low	107 Å²	107	91.7 Å²	91.7	66%	0.656	52%	0.516	S	S	*	.			trans	-69.8	112.9	-177	-54.3	0	0	0	0	111	R162	R162-T301 PolarHBondContact NH1-OG1 2.8Å; R162-T301 PolarHBondContact NH2-OG1 2.75Å
302	Q	77.5	Confident	65.7	Low	13 Å²	13	92.4 Å²	92.4	6%	0.061	52%	0.518	C	S	.	.			trans	-71.1	146.7	-178.4	-69.7	162.3	-86	0	0	112.4	P161 H165 E251 F256 P300 Q304	P161-Q302 VanDerWaalsContact CA-OE1 3.31Å; H165-Q302 PolarHBondContact CD2-NE2 3Å; H165-Q302 PolarHBondContact CE1-NE2 3.21Å; H165-Q302 VanDerWaalsContact CG-CD 3.42Å; H165-Q302 VanDerWaalsContact CG-OE1 3.22Å; H165-Q302 PolarHBondContact ND1-NE2 2.77Å; H165-Q302 PolarHBondContact NE2-NE2 2.89Å; E251-Q302 PolarHBondContact OE2-NE2 3.49Å; F256-Q302 HydrophobicContact CD1-CG 3.8Å; F256-Q302 HydrophobicContact CD2-CG 4.39Å; F256-Q302 HydrophobicContact CE1-CG 3.31Å; F256-Q302 HydrophobicContact CE2-CG 3.99Å; F256-Q302 HydrophobicContact CG-CG 4.31Å; F256-Q302 HydrophobicContact CZ-CG 3.43Å; F256-Q302 VanDerWaalsContact CZ-CG 3.43Å; P300-Q302 PolarHBondContact O-N 3.09Å; Q302-Q304 PolarHBondContact O-N 3.36Å; Q302-Q304 VanDerWaalsContact O-N 3.17Å
303	P	67.2	Low	64.1	Low	79 Å²	79	91.7 Å²	91.7	51%	0.513	50%	0.5	S	S	.	.			trans	-67.9	113.8	-178.2	-16.6	30.8	0	0	0	111.8	K305	P303-K305 PolarHBondContact O-N 2.97Å
304	Q	56.7	Low	62.6	Low	191 Å²	191	102 Å²	102	89%	0.893	54%	0.536	S	S	*	.			trans	-67.4	95.7	173.1	-72.1	-173.7	-16.2	0	0	110.8	Q302	Q302-Q304 PolarHBondContact O-N 3.36Å; Q302-Q304 VanDerWaalsContact O-N 3.17Å
305	K	54.4	Low	61.3	Low	183 Å²	183	100.9 Å²	100.9	80%	0.796	53%	0.53	S	S	*	.			trans	-60.8	131.5	157.5	-107.2	175.8	-180	169.4	0	108	P303 Q307	P303-K305 PolarHBondContact O-N 2.97Å; K305-Q307 PolarHBondContact O-N 2.74Å; K305-Q307 VanDerWaalsContact O-N 3.12Å
306	P	42.8	Very low	59.9	Low	123 Å²	123	104.7 Å²	104.7	80%	0.799	55%	0.547	S	S	*	.			trans	-58	120.2	173.1	-23.9	34	0	0	0	109.8	S308	P306-S308 PolarHBondContact O-N 2.78Å
307	Q	44.5	Very low	58.9	Low	166 Å²	166	105.9 Å²	105.9	78%	0.776	55%	0.552	S	S	*	*			trans	-66.8	104.3	167.3	-69.7	175.7	-64.9	0	0	107.4	K305 D309	K305-Q307 PolarHBondContact O-N 2.74Å; K305-Q307 VanDerWaalsContact O-N 3.12Å; Q307-D309 PolarHBondContact O-N 2.98Å
308	S	39.4	Very low	57.8	Low	105 Å²	105	110.9 Å²	110.9	73%	0.734	58%	0.582	S	S	*	*			trans	-59.7	124.6	140.9	51.5	0	0	0	0	106	P306 P310	P306-S308 PolarHBondContact O-N 2.78Å; S308-P310 VanDerWaalsContact O-CD 3.23Å; S308-P310 WeakPolarHBondContact O-CD 3.49Å
309	D	35.6	Very low	56.9	Low	148 Å²	148	114 Å²	114	79%	0.791	60%	0.597	S	S	*	*			trans	-46.8	118.5	172.6	-77.4	-49.2	0	0	0	108.5	Q307 Q311	Q307-D309 PolarHBondContact O-N 2.98Å; D309-Q311 PolarHBondContact O-N 3.35Å
310	P	44.3	Very low	56	Low	97 Å²	97	113.9 Å²	113.9	63%	0.63	60%	0.598	S	S	*	*			trans	-63.9	97.3	152.7	-0.7	18.5	0	0	0	103.4	S308 E312	S308-P310 VanDerWaalsContact O-CD 3.23Å; S308-P310 WeakPolarHBondContact O-CD 3.49Å; P310-E312 PolarHBondContact O-N 3.31Å
311	Q	36.9	Very low	55.3	Low	169 Å²	169	118.5 Å²	118.5	79%	0.79	62%	0.621	S	S	*	*			trans	-58	103.4	154.5	-177.7	179.5	-90.4	0	0	103.9	D309 S313	D309-Q311 PolarHBondContact O-N 3.35Å; Q311-S313 PolarHBondContact O-N 3.47Å
312	E	42.9	Very low	54.8	Low	165 Å²	165	113.6 Å²	113.6	77%	0.771	59%	0.591	S	S	*	*			trans	-61.4	81.9	166.3	-74.2	-172.4	139.6	0	0	106.8	P310 R314	P310-E312 PolarHBondContact O-N 3.31Å; E312-R314 PolarHBondContact O-N 2.76Å
313	S	40.7	Very low	54.8	Low	66 Å²	66	116.4 Å²	116.4	46%	0.462	61%	0.605	S	S	.	*			trans	-44.4	136.2	146.1	32.7	0	0	0	0	106.4	Q311 E315	Q311-S313 PolarHBondContact O-N 3.47Å; S313-E315 PolarHBondContact O-N 2.96Å
314	R	43.8	Very low	55.7	Low	241 Å²	241	112.7 Å²	112.7	91%	0.909	58%	0.58	S	S	*	*			trans	-62.9	82.7	159	-66	172.4	176.2	178	-5	106.3	E312 N316	E312-R314 PolarHBondContact O-N 2.76Å; R314-N316 PolarHBondContact O-N 3.36Å
315	E	49.8	Very low	57.2	Low	134 Å²	134	103.6 Å²	103.6	63%	0.626	54%	0.538	S	S	*	.			trans	-62.5	109.1	171	-67.6	-164.2	144.5	0	0	105	S313 C317	S313-E315 PolarHBondContact O-N 2.96Å; E315-C317 PolarHBondContact O-N 2.58Å
316	N	50.9	Low	58.8	Low	137 Å²	137	98.8 Å²	98.8	73%	0.733	52%	0.517	S	S	*	.			trans	-55.8	118	174.2	-81.5	-9.1	0	0	0	106.4	R314 T318	R314-N316 PolarHBondContact O-N 3.36Å; N316-T318 PolarHBondContact O-N 2.91Å; N316-T318 PolarHBondContact O-OG1 3.37Å
317	C	65.4	Low	60.8	Low	48 Å²	48	94.1 Å²	94.1	32%	0.324	49%	0.489	S	S	.	.			trans	-44.7	98.4	-179	-169.2	0	0	0	0	110.3	C208 E315 I319	C208-C317 HydrophobicContact CB-CB 3.96Å; C208-C317 WeakPolarHBondContact CB-SG 3.37Å; C208-C317 WeakPolarHBondContact SG-CB 3.22Å; C208-C317 CovalentContact SG-SG 2.03Å; C208-C317 PolarHBondContact SG-SG 2.91Å; E315-C317 PolarHBondContact O-N 2.58Å; C317-I319 VanDerWaalsContact C-N 3.28Å; C317-I319 PolarHBondContact O-N 3.28Å
318	T	67.2	Low	62.2	Low	120 Å²	120	91 Å²	91	74%	0.736	48%	0.483	S	S	*	.			trans	-88.8	79.6	-169.6	-63	0	0	0	0	107.4	N316 A320	N316-T318 PolarHBondContact O-N 2.91Å; N316-T318 PolarHBondContact O-OG1 3.37Å; T318-A320 PolarHBondContact O-N 3Å
319	I	72.9	Confident	63.8	Low	72 Å²	72	94.1 Å²	94.1	37%	0.369	48%	0.478	S	S	.	.			trans	-54.5	120.7	172.5	-58.3	173.5	0	0	0	107.6	Q212 N271 C317 L321	Q212-I319 HydrophobicContact CG-CD1 3.81Å; Q212-I319 HydrophobicContact CG-CG1 4.18Å; N271-I319 VanDerWaalsContact ND2-CG2 3.32Å; N271-I319 WeakPolarHBondContact ND2-CG2 3.28Å; C317-I319 VanDerWaalsContact C-N 3.28Å; C317-I319 PolarHBondContact O-N 3.28Å; I319-L321 PolarHBondContact O-N 2.84Å
320	A	73.3	Confident	65.2	Low	9 Å²	9	89.6 Å²	89.6	7%	0.074	46%	0.457	C	S	.	.			trans	-72.5	113.4	177.1	0	0	0	0	0	109.3	P232 E233 R270 N271 T318	P232-A320 VanDerWaalsContact C-CB 3.46Å; P232-A320 HydrophobicContact CB-CB 3.71Å; P232-A320 WeakPolarHBondContact O-CB 3.21Å; E233-A320 HydrophobicContact CG-CB 4.04Å; R270-A320 VanDerWaalsContact CD-O 3.27Å; R270-A320 WeakPolarHBondContact CD-O 3.08Å; R270-A320 VanDerWaalsContact NH1-C 3.29Å; R270-A320 PolarHBondContact NH1-O 2.93Å; N271-A320 PolarHBondContact ND2-O 2.86Å; N271-A320 PolarHBondContact OD1-N 3.28Å; T318-A320 PolarHBondContact O-N 3Å
321	L	72.9	Confident	66.4	Low	115 Å²	115	86.5 Å²	86.5	60%	0.602	44%	0.443	S	S	*	.			trans	-78.9	153.2	170.8	-62.2	174	0	0	0	110.6	R270 I319 E323	R270-L321 PolarHBondContact NH1-O 3.1Å; I319-L321 PolarHBondContact O-N 2.84Å; L321-E323 PolarHBondContact O-N 3.38Å
322	P	72.3	Confident	68.3	Low	5 Å²	5	80 Å²	80	3%	0.032	42%	0.418	C	S	.	.			trans	-47.5	131.4	176.1	-32.2	37.3	0	0	0	113.7	K326 T520 L562	P322-K326 WeakPolarHBondContact O-CE 3.36Å; P322-K326 PolarHBondContact O-NZ 2.58Å; P322-T520 HydrophobicContact CB-CG2 3.72Å; P322-T520 HydrophobicContact CG-CG2 4.05Å; P322-L562 HydrophobicContact CG-CD1 3.94Å; P322-L562 HydrophobicContact CG-CD2 3.4Å; P322-L562 HydrophobicContact CG-CG 4.35Å
323	E	77.4	Confident	70.4	Confident	72 Å²	72	72.7 Å²	72.7	34%	0.336	38%	0.383	S	S	.	.	S	Bend	trans	-84	-30.4	177.8	-65.1	-161.5	104	0	0	111.6	R235 L321 R426 Y557	R235-E323 IonicContact CZ-OE2 3.77Å; R235-E323 IonicContact NH1-OE2 3.1Å; R235-E323 PolarHBondContact NH1-OE2 3.42Å; R235-E323 IonicContact NH2-OE2 3.79Å; R235-E323 PolarHBondContact NH2-OE2 3.26Å; L321-E323 PolarHBondContact O-N 3.38Å; E323-R426 WeakPolarHBondContact O-CD 3.49Å; E323-R426 PolarHBondContact O-NH1 3.4Å; E323-Y557 HydrophobicContact CB-CD1 4.2Å; E323-Y557 HydrophobicContact CB-CE1 3.62Å; E323-Y557 HydrophobicContact CG-CE1 4.37Å; E323-Y557 WeakPolarHBondContact OE2-CE1 3.38Å
324	C	86.5	Confident	72.8	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.362	C	S	.	.	S	Bend	trans	-77.3	-173.7	173.6	55.2	0	0	0	0	112.4	K326 P427 C429 Y557 E559	C324-K326 PolarHBondContact O-N 3.22Å; C324-P427 CarbonylContact C-O 3.43Å; C324-P427 VanDerWaalsContact CA-O 3.29Å; C324-P427 WeakPolarHBondContact CA-O 3.37Å; C324-P427 HydrophobicContact CB-CB 4.43Å; C324-P427 HydrophobicContact CB-CG 4.09Å; C324-P427 WeakPolarHBondContact CB-O 3.35Å; C324-C429 HydrophobicContact CB-CB 4.06Å; C324-C429 WeakPolarHBondContact CB-SG 3.35Å; C324-C429 WeakPolarHBondContact SG-CA 3.41Å; C324-C429 WeakPolarHBondContact SG-CB 3.29Å; C324-C429 CovalentContact SG-SG 2.03Å; C324-C429 PolarHBondContact SG-SG 3.35Å; C324-Y557 HydrophobicContact CB-CD1 4.01Å; C324-Y557 HydrophobicContact CB-CG 4Å; C324-E559 WeakPolarHBondContact SG-CG 3.34Å; C324-E559 PolarHBondContact SG-OE1 2.99Å
325	G	87.6	Confident	75.2	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.319	C	S	.	.			trans	67.9	-6.6	162.5	0	0	0	0	0	116.9	A327 W335 P427 C429 W521	G325-A327 PolarHBondContact O-N 3.08Å; G325-W335 VanDerWaalsContact C-CZ3 3.5Å; G325-W335 WeakPolarHBondContact O-CH2 3.37Å; G325-P427 PolarHBondContact N-O 3.42Å; G325-C429 VanDerWaalsContact CA-SG 3.6Å; G325-C429 PolarHBondContact N-SG 3.05Å; G325-C429 VanDerWaalsContact N-SG 3.37Å; G325-W521 WeakPolarHBondContact CA-O 3.4Å; G325-W521 WeakPolarHBondContact O-CB 3.48Å; G325-W521 VanDerWaalsContact O-CD1 3.3Å; G325-W521 PolarHBondContact O-N 2.9Å
326	K	88.6	Confident	77.2	Confident	83 Å²	83	54 Å²	54	36%	0.361	30%	0.299	S	S	.	.			trans	-83.4	101.9	-178.3	-74.3	164.1	175.5	166.3	0	111.2	P322 C324	P322-K326 WeakPolarHBondContact O-CE 3.36Å; P322-K326 PolarHBondContact O-NZ 2.58Å; C324-K326 PolarHBondContact O-N 3.22Å
327	A	83.8	Confident	79.2	Confident	25 Å²	25	47.5 Å²	47.5	21%	0.207	26%	0.264	C	S	.	.			trans	-98.3	136.5	172.2	0	0	0	0	0	111.8	G325 R329 W333 P334 W335	G325-A327 PolarHBondContact O-N 3.08Å; A327-R329 VanDerWaalsContact C-N 3.29Å; A327-R329 PolarHBondContact O-N 3.01Å; A327-W333 HydrophobicContact CB-CE3 3.95Å; A327-W333 HydrophobicContact CB-CZ3 4.1Å; A327-P334 HydrophobicContact CB-CG 4.45Å; A327-W335 HydrophobicContact CB-CH2 3.7Å; A327-W335 HydrophobicContact CB-CZ3 4.17Å
328	P	73.1	Confident	80.4	Confident	101 Å²	101	48 Å²	48	66%	0.656	26%	0.262	S	S	*	.	S	Bend	trans	-74.8	-18.2	-179.9	30.8	-35.7	0	0	0	113.5
329	R	73.3	Confident	81.6	Confident	169 Å²	169	42.3 Å²	42.3	64%	0.638	23%	0.227	S	C	*	.	S	Bend	trans	-162.2	146.4	170.5	60.4	-174.9	178.2	147.2	4.8	108.9	A327 A332	A327-R329 VanDerWaalsContact C-N 3.29Å; A327-R329 PolarHBondContact O-N 3.01Å; R329-A332 HydrophobicContact CG-CB 3.71Å; R329-A332 PolarHBondContact O-N 3.26Å
330	P	65.9	Low	82.4	Confident	54 Å²	54	42.3 Å²	42.3	35%	0.351	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	145.6	172.9	-25.8	35.3	0	0	0	112.2	A332 W333 W521	P330-A332 PolarHBondContact O-N 2.98Å; P330-W333 HydrophobicContact CB-CH2 4.07Å; P330-W521 HydrophobicContact CG-CZ2 4.45Å
331	G	68.3	Low	83.1	Confident	32 Å²	32	42.8 Å²	42.8	33%	0.33	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	2	178.3	0	0	0	0	0	116.4	W333 L460	G331-W333 VanDerWaalsContact N-CZ2 3.26Å; G331-L460 VanDerWaalsContact CA-CD2 3.49Å
332	A	77.3	Confident	83.6	Confident	31 Å²	31	41 Å²	41	26%	0.256	22%	0.223	S	C	.	.	S	Bend	trans	-118.7	66	166.1	0	0	0	0	0	108.7	R329 P330 P334	R329-A332 HydrophobicContact CG-CB 3.71Å; R329-A332 PolarHBondContact O-N 3.26Å; P330-A332 PolarHBondContact O-N 2.98Å; A332-P334 VanDerWaalsContact O-CD 3.29Å; A332-P334 WeakPolarHBondContact O-CD 3.37Å
333	W	87.8	Confident	84	Confident	13 Å²	13	45.1 Å²	45.1	5%	0.049	27%	0.267	C	S	.	.			trans	-71.4	115.7	-166.8	-54	126.1	0	0	0	112.1	A327 P330 G331 W335 E336 R444 L514 W521	A327-W333 HydrophobicContact CB-CE3 3.95Å; A327-W333 HydrophobicContact CB-CZ3 4.1Å; P330-W333 HydrophobicContact CB-CH2 4.07Å; G331-W333 VanDerWaalsContact N-CZ2 3.26Å; W333-W335 HydrophobicContact CB-CD2 4.36Å; W333-W335 HydrophobicContact CB-CG 4.47Å; W333-W335 HydrophobicContact CB-CZ2 4.35Å; W333-W335 HydrophobicContact CD2-CZ2 4.16Å; W333-W335 HydrophobicContact CE3-CH2 4.04Å; W333-W335 AromaticContact CE3-CZ2 3.47Å; W333-W335 HydrophobicContact CE3-CZ2 3.47Å; W333-W335 VanDerWaalsContact CE3-CZ2 3.47Å; W333-W335 HydrophobicContact CZ3-CZ2 4.09Å; W333-W335 PolarHBondContact O-N 3.49Å; W333-E336 HydrophobicContact CB-CB 4.33Å; W333-E336 PolarHBondContact O-N 3.06Å; W333-E336 VanDerWaalsContact O-N 3.12Å; W333-R444 HydrophobicContact CZ2-CB 4.33Å; W333-L514 HydrophobicContact CD2-CD1 3.58Å; W333-L514 VanDerWaalsContact CE2-CD1 3.45Å; W333-L514 HydrophobicContact CE3-CD1 3.88Å; W333-L514 HydrophobicContact CG-CD1 4.11Å; W333-L514 HydrophobicContact CH2-CD1 3.94Å; W333-L514 HydrophobicContact CZ2-CD1 3.66Å; W333-L514 HydrophobicContact CZ3-CD1 4.04Å; W333-W521 HydrophobicContact CH2-CD2 4.15Å; W333-W521 HydrophobicContact CH2-CE3 4.21Å; W333-W521 HydrophobicContact CH2-CH2 4.17Å; W333-W521 HydrophobicContact CH2-CZ2 4.09Å; W333-W521 HydrophobicContact CH2-CZ3 4.21Å; W333-W521 AromaticContact CZ3-CD2 3.89Å; W333-W521 HydrophobicContact CZ3-CD2 3.89Å; W333-W521 AromaticContact CZ3-CE2 3.85Å; W333-W521 HydrophobicContact CZ3-CE3 4.35Å; W333-W521 HydrophobicContact CZ3-CG 4.22Å; W333-W521 HydrophobicContact CZ3-CZ2 4.3Å
334	P	90.8	Very high	84.2	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.006	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16	-179.1	-28.4	38.7	0	0	0	115.7	A327 A332 A424 P425 R426	A327-P334 HydrophobicContact CB-CG 4.45Å; A332-P334 VanDerWaalsContact O-CD 3.29Å; A332-P334 WeakPolarHBondContact O-CD 3.37Å; P334-A424 HydrophobicContact CB-CB 4.36Å; P334-P425 WeakPolarHBondContact O-CA 3.36Å; P334-P425 WeakPolarHBondContact O-CB 3.42Å; P334-R426 CarbonylContact C-O 3.34Å; P334-R426 HydrophobicContact CB-CB 3.93Å; P334-R426 PolarHBondContact O-N 2.83Å
335	W	93.3	Very high	84	Confident	5 Å²	5	52.7 Å²	52.7	2%	0.019	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-6.1	179.1	43.5	91.2	0	0	0	114.3	G325 A327 W333 A337 A350 L351 R426 V428 L514 W521	G325-W335 VanDerWaalsContact C-CZ3 3.5Å; G325-W335 WeakPolarHBondContact O-CH2 3.37Å; A327-W335 HydrophobicContact CB-CH2 3.7Å; A327-W335 HydrophobicContact CB-CZ3 4.17Å; W333-W335 HydrophobicContact CB-CD2 4.36Å; W333-W335 HydrophobicContact CB-CG 4.47Å; W333-W335 HydrophobicContact CB-CZ2 4.35Å; W333-W335 HydrophobicContact CD2-CZ2 4.16Å; W333-W335 HydrophobicContact CE3-CH2 4.04Å; W333-W335 AromaticContact CE3-CZ2 3.47Å; W333-W335 HydrophobicContact CE3-CZ2 3.47Å; W333-W335 VanDerWaalsContact CE3-CZ2 3.47Å; W333-W335 HydrophobicContact CZ3-CZ2 4.09Å; W333-W335 PolarHBondContact O-N 3.49Å; W335-A337 PolarHBondContact O-N 3.15Å; W335-A350 CarbonylContact O-C 3.57Å; W335-A350 WeakPolarHBondContact O-CA 3.47Å; W335-L351 HydrophobicContact CB-CB 4.19Å; W335-L351 PolarHBondContact O-N 3.27Å; W335-R426 WeakPolarHBondContact CA-O 3.29Å; W335-R426 WeakPolarHBondContact CB-O 3.4Å; W335-R426 PolarHBondContact N-O 3.47Å; W335-V428 HydrophobicContact CB-CB 4.05Å; W335-V428 HydrophobicContact CD2-CB 3.69Å; W335-V428 HydrophobicContact CD2-CG2 3.97Å; W335-V428 HydrophobicContact CE3-CB 4.24Å; W335-V428 HydrophobicContact CG-CB 3.6Å; W335-V428 HydrophobicContact CG-CG2 4.23Å; W335-V428 HydrophobicContact CZ2-CG2 4.11Å; W335-L514 HydrophobicContact CZ2-CD1 4.04Å; W335-W521 HydrophobicContact CH2-CB 3.61Å; W335-W521 HydrophobicContact CH2-CG 4.02Å; W335-W521 HydrophobicContact CZ2-CB 3.76Å; W335-W521 HydrophobicContact CZ2-CG 4.24Å
336	E	91.8	Very high	84	Confident	43 Å²	43	54.8 Å²	54.8	20%	0.201	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	105.7	-175.3	-171.1	-172.9	149.4	0	0	111.3	W333 Q338 H348 P385 R447	W333-E336 HydrophobicContact CB-CB 4.33Å; W333-E336 PolarHBondContact O-N 3.06Å; W333-E336 VanDerWaalsContact O-N 3.12Å; E336-Q338 PolarHBondContact OE1-NE2 3.21Å; E336-Q338 VanDerWaalsContact OE1-NE2 3.1Å; E336-H348 IonicContact OE1-CD2 3.12Å; E336-P385 HydrophobicContact CB-CG 4.37Å; E336-P385 VanDerWaalsContact O-CD 3.29Å; E336-P385 WeakPolarHBondContact O-CD 3.39Å; E336-P385 WeakPolarHBondContact O-CG 3.43Å; E336-R447 IonicContact OE1-CZ 3.63Å; E336-R447 IonicContact OE1-NH1 3.59Å; E336-R447 PolarHBondContact OE1-NH1 3.39Å
337	A	92.8	Very high	84	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	129.2	-178.4	0	0	0	0	0	110.1	W335 H348 G349 V357 V382 L384	W335-A337 PolarHBondContact O-N 3.15Å; A337-H348 WeakPolarHBondContact O-CA 3.48Å; A337-G349 PolarHBondContact N-O 2.81Å; A337-G349 PolarHBondContact O-N 3.45Å; A337-V357 HydrophobicContact CB-CB 4.48Å; A337-V357 HydrophobicContact CB-CG1 3.61Å; A337-V357 HydrophobicContact CB-CG2 3.97Å; A337-V382 HydrophobicContact CB-CG1 4.21Å; A337-L384 HydrophobicContact CB-CD2 3.77Å
338	Q	92.1	Very high	84.3	Confident	58 Å²	58	49.9 Å²	49.9	27%	0.271	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	106.6	176	-55.1	-174.7	0.6	0	0	109.3	E336 C347 L383	E336-Q338 PolarHBondContact OE1-NE2 3.21Å; E336-Q338 VanDerWaalsContact OE1-NE2 3.1Å; Q338-C347 CarbonylContact C-O 3.57Å; Q338-C347 WeakPolarHBondContact CA-O 3.17Å; Q338-L383 HydrophobicContact CB-CB 4.23Å; Q338-L383 PolarHBondContact N-O 2.66Å; Q338-L383 PolarHBondContact O-N 2.91Å
339	V	91.8	Very high	85.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	114.8	179.6	-169.8	0	0	0	0	109.3	V341 C347 V357 F364 V382 L413	V339-V341 HydrophobicContact CG1-CG2 4.32Å; V339-C347 HydrophobicContact CB-CB 4.31Å; V339-C347 PolarHBondContact N-O 3.22Å; V339-C347 PolarHBondContact O-N 3.03Å; V339-V357 HydrophobicContact CG2-CG1 4.4Å; V339-F364 HydrophobicContact CB-CE1 4.35Å; V339-F364 HydrophobicContact CB-CZ 4.3Å; V339-F364 HydrophobicContact CG1-CE1 3.79Å; V339-F364 HydrophobicContact CG1-CZ 4.09Å; V339-F364 HydrophobicContact CG2-CZ 4.44Å; V339-V382 HydrophobicContact CG2-CG2 4.39Å; V339-L413 HydrophobicContact CG1-CD2 3.76Å; V339-L413 HydrophobicContact CG2-CD1 4.44Å; V339-L413 HydrophobicContact CG2-CD2 4.31Å
340	M	90.1	Very high	86.2	Confident	72 Å²	72	37.4 Å²	37.4	36%	0.355	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	103.5	178.9	-58.1	-63.3	-62.7	0	0	109.4	P346 R381 L383	M340-P346 HydrophobicContact CE-CG 4.08Å; M340-P346 HydrophobicContact SD-CB 3.71Å; M340-P346 HydrophobicContact SD-CG 3.7Å; M340-R381 HydrophobicContact CB-CB 4.2Å; M340-R381 WeakPolarHBondContact CB-O 3.37Å; M340-R381 PolarHBondContact N-O 3.49Å; M340-R381 PolarHBondContact O-N 2.8Å; M340-L383 HydrophobicContact CG-CD1 3.91Å; M340-L383 HydrophobicContact CG-CG 4.44Å; M340-L383 HydrophobicContact SD-CD1 4.33Å
341	V	87.1	Confident	87.6	Confident	19 Å²	19	34.8 Å²	34.8	12%	0.115	21%	0.214	C	C	.	.			trans	-96.2	128.8	172.4	179.7	0	0	0	0	108.8	V339 G343 S344 F364 W380	V339-V341 HydrophobicContact CG1-CG2 4.32Å; V341-G343 PolarHBondContact O-N 3.29Å; V341-S344 PolarHBondContact O-N 3.37Å; V341-S344 VanDerWaalsContact O-N 3.08Å; V341-F364 HydrophobicContact CG2-CD1 3.88Å; V341-F364 HydrophobicContact CG2-CE1 3.81Å; V341-W380 HydrophobicContact CG1-CD2 4.39Å; V341-W380 HydrophobicContact CG1-CZ2 4.02Å; V341-W380 HydrophobicContact CG2-CD2 3.92Å; V341-W380 HydrophobicContact CG2-CE3 3.88Å; V341-W380 HydrophobicContact CG2-CH2 4.3Å; V341-W380 HydrophobicContact CG2-CZ2 4.33Å; V341-W380 HydrophobicContact CG2-CZ3 4.08Å
342	P	84.4	Confident	88.8	Confident	77 Å²	77	33.3 Å²	33.3	50%	0.5	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	132.6	178.6	-27.6	35	0	0	0	112.9	S344 A379	P342-S344 PolarHBondContact O-N 3.13Å; P342-A379 HydrophobicContact CG-CB 3.77Å
343	G	79.6	Confident	89.5	Confident	93 Å²	93	32 Å²	32	96%	0.959	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.4	-2	-179.4	0	0	0	0	0	116	V341	V341-G343 PolarHBondContact O-N 3.29Å
344	S	82.3	Confident	89.5	Confident	55 Å²	55	34.4 Å²	34.4	39%	0.385	20%	0.199	S	C	.	.	S	Bend	trans	-111.1	168.1	179.8	-62.7	0	0	0	0	112.7	V341 P342	V341-S344 PolarHBondContact O-N 3.37Å; V341-S344 VanDerWaalsContact O-N 3.08Å; P342-S344 PolarHBondContact O-N 3.13Å
345	R	83.3	Confident	89.5	Confident	176 Å²	176	35.8 Å²	35.8	66%	0.664	21%	0.208	S	C	*	.	P	Polyproline II helix	trans	-70.5	153.8	166.7	-66.5	-173.9	-177.1	-178.5	2.2	110.2	C347	R345-C347 PolarHBondContact O-N 3.44Å
346	P	86.7	Confident	89.6	Confident	43 Å²	43	36 Å²	36	28%	0.279	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-57.4	134.3	170.6	-19.8	31	0	0	0	111.2	M340 G451	M340-P346 HydrophobicContact CE-CG 4.08Å; M340-P346 HydrophobicContact SD-CB 3.71Å; M340-P346 HydrophobicContact SD-CG 3.7Å; P346-G451 PolarHBondContact O-N 2.85Å
347	C	88.5	Confident	89.7	Confident	2 Å²	2	34 Å²	34	1%	0.014	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	140.4	170.6	-175.5	0	0	0	0	110.3	Q338 V339 R345 C363 G449	Q338-C347 CarbonylContact C-O 3.57Å; Q338-C347 WeakPolarHBondContact CA-O 3.17Å; V339-C347 HydrophobicContact CB-CB 4.31Å; V339-C347 PolarHBondContact N-O 3.22Å; V339-C347 PolarHBondContact O-N 3.03Å; R345-C347 PolarHBondContact O-N 3.44Å; C347-C363 HydrophobicContact CB-CB 3.58Å; C347-C363 WeakPolarHBondContact CB-SG 3.47Å; C347-C363 WeakPolarHBondContact SG-CB 3.41Å; C347-C363 CovalentContact SG-SG 2.02Å; C347-C363 PolarHBondContact SG-SG 2.69Å; C347-G449 CarbonylContact C-O 3.53Å; C347-G449 WeakPolarHBondContact CA-O 3.4Å
348	H	89.9	Confident	89.9	Confident	4 Å²	4	34 Å²	34	2%	0.019	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.7	-179.8	-56.2	79.9	0	0	0	110.2	E336 A337 P360 R447 G449	E336-H348 IonicContact OE1-CD2 3.12Å; A337-H348 WeakPolarHBondContact O-CA 3.48Å; H348-P360 WeakPolarHBondContact O-CD 3.43Å; H348-R447 HydrophobicContact CB-CB 4.27Å; H348-R447 WeakPolarHBondContact CB-O 3.33Å; H348-R447 PolarHBondContact CD2-NH1 2.8Å; H348-R447 PolarHBondContact CE1-NH2 2.9Å; H348-R447 VanDerWaalsContact CE1-NH2 3.31Å; H348-R447 VanDerWaalsContact NE2-CZ 3.32Å; H348-R447 PolarHBondContact NE2-NH1 3.45Å; H348-R447 PolarHBondContact NE2-NH2 3.48Å; H348-G449 PolarHBondContact N-O 3Å; H348-G449 PolarHBondContact ND1-O 3.37Å; H348-G449 PolarHBondContact O-N 2.84Å
349	G	92.9	Very high	89.9	Confident	4 Å²	4	31.2 Å²	31.2	4%	0.041	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	-169.4	177.6	0	0	0	0	0	111	A337 L358	A337-G349 PolarHBondContact N-O 2.81Å; A337-G349 PolarHBondContact O-N 3.45Å; G349-L358 CarbonylContact C-O 3.55Å; G349-L358 VanDerWaalsContact CA-O 3.23Å; G349-L358 WeakPolarHBondContact CA-O 3.37Å
350	A	94.6	Very high	89.9	Confident	3 Å²	3	31.2 Å²	31.2	3%	0.025	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.1	180	0	0	0	0	0	111.6	W335 V352 V357 L358 V428 L523	W335-A350 CarbonylContact O-C 3.57Å; W335-A350 WeakPolarHBondContact O-CA 3.47Å; A350-V352 PolarHBondContact O-N 2.85Å; A350-V357 CarbonylContact O-C 3.41Å; A350-V357 WeakPolarHBondContact O-CA 2.98Å; A350-L358 PolarHBondContact N-O 2.02Å; A350-L358 PolarHBondContact O-N 2.92Å; A350-V428 HydrophobicContact CB-CG1 3.8Å; A350-L523 HydrophobicContact CB-CD2 4.24Å
351	L	95.2	Very high	89.8	Confident	0 Å²	0	28 Å²	28	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	123.8	161.1	-169.9	72.7	0	0	0	108.5	W335 S353 V357 L384 L415 L421 P425 P427 V428	W335-L351 HydrophobicContact CB-CB 4.19Å; W335-L351 PolarHBondContact O-N 3.27Å; L351-S353 WeakPolarHBondContact CD1-O 3.25Å; L351-S353 VanDerWaalsContact CG-O 3.23Å; L351-S353 WeakPolarHBondContact CG-O 3.49Å; L351-V357 HydrophobicContact CD1-CG2 3.74Å; L351-L384 HydrophobicContact CB-CD2 4.31Å; L351-L384 HydrophobicContact CD1-CD1 4.23Å; L351-L384 HydrophobicContact CD1-CD2 4.2Å; L351-L384 HydrophobicContact CD2-CD1 4.48Å; L351-L384 HydrophobicContact CD2-CD2 4.49Å; L351-L415 HydrophobicContact CD1-CD1 4.22Å; L351-L421 HydrophobicContact CD2-CD2 4.45Å; L351-P425 HydrophobicContact CD2-CB 3.91Å; L351-P427 CarbonylContact O-C 3.58Å; L351-P427 WeakPolarHBondContact O-CA 3.3Å; L351-P427 WeakPolarHBondContact O-CB 3.4Å; L351-V428 PolarHBondContact O-N 3.42Å
352	V	93.6	Very high	89.7	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.184	C	C	.	.			trans	-115	-11.2	-178.3	-62.6	0	0	0	0	113.2	A350 W356 L358 L412 V428 L430 A556 Y557	A350-V352 PolarHBondContact O-N 2.85Å; V352-W356 HydrophobicContact CG2-CB 3.92Å; V352-W356 WeakPolarHBondContact CG2-O 3.47Å; V352-W356 PolarHBondContact N-O 2.82Å; V352-L358 HydrophobicContact CG1-CB 3.74Å; V352-L358 HydrophobicContact CG2-CB 4.35Å; V352-L412 HydrophobicContact CG2-CD2 4.16Å; V352-V428 HydrophobicContact CG1-CG1 4.19Å; V352-L430 HydrophobicContact CB-CD1 4.13Å; V352-L430 HydrophobicContact CB-CG 4.47Å; V352-L430 HydrophobicContact CG1-CD1 3.97Å; V352-L430 HydrophobicContact CG1-CD2 3.89Å; V352-L430 HydrophobicContact CG1-CG 4.15Å; V352-A556 HydrophobicContact CB-CB 4.4Å; V352-A556 HydrophobicContact CG2-CB 4.29Å; V352-A556 WeakPolarHBondContact O-CA 3.49Å; V352-Y557 WeakPolarHBondContact O-CD2 3.49Å; V352-Y557 PolarHBondContact O-N 3.38Å
353	S	90.8	Very high	89.8	Confident	3 Å²	3	26 Å²	26	2%	0.021	16%	0.161	C	C	.	.	S	Bend	trans	-156.8	-175	161.8	75.6	0	0	0	0	111.2	L351 S355 W356 G555	L351-S353 WeakPolarHBondContact CD1-O 3.25Å; L351-S353 VanDerWaalsContact CG-O 3.23Å; L351-S353 WeakPolarHBondContact CG-O 3.49Å; S353-S355 PolarHBondContact O-N 2.76Å; S353-S355 PolarHBondContact OG-N 3.48Å; S353-W356 PolarHBondContact N-O 3.27Å; S353-W356 PolarHBondContact OG-N 2.87Å; S353-G555 WeakPolarHBondContact CB-O 3.38Å
354	E	88.6	Confident	90.1	Very high	65 Å²	65	22.1 Å²	22.1	30%	0.304	12%	0.117	S	C	.	.	S	Bend	trans	-59.1	-23.9	172	-51.9	96.6	132.7	0	0	112.8	P418 V419 L421	E354-P418 HydrophobicContact CB-CB 4.27Å; E354-P418 CarbonylContact O-C 3.33Å; E354-P418 WeakPolarHBondContact O-CA 3.45Å; E354-V419 WeakPolarHBondContact O-CB 3.12Å; E354-V419 PolarHBondContact O-N 3.19Å; E354-L421 HydrophobicContact CG-CD1 3.89Å; E354-L421 HydrophobicContact CG-CD2 3.95Å; E354-L421 HydrophobicContact CG-CG 3.72Å
355	S	90.9	Very high	89.8	Confident	29 Å²	29	23 Å²	23	20%	0.203	12%	0.122	C	C	.	.	S	Bend	trans	-119.3	-5.7	-170.8	-56.3	0	0	0	0	114.3	S353 Q414 L415	S353-S355 PolarHBondContact O-N 2.76Å; S353-S355 PolarHBondContact OG-N 3.48Å; S355-Q414 CarbonylContact O-C 3.42Å; S355-Q414 WeakPolarHBondContact O-CA 3.45Å; S355-L415 PolarHBondContact O-N 2.67Å
356	W	94.2	Very high	88.9	Confident	10 Å²	10	17.3 Å²	17.3	4%	0.038	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	137.9	-171.9	-69.2	103	0	0	0	113.8	V352 S353 V397 L412 L413 Q414 V552 T553	V352-W356 HydrophobicContact CG2-CB 3.92Å; V352-W356 WeakPolarHBondContact CG2-O 3.47Å; V352-W356 PolarHBondContact N-O 2.82Å; S353-W356 PolarHBondContact N-O 3.27Å; S353-W356 PolarHBondContact OG-N 2.87Å; W356-V397 HydrophobicContact CH2-CG2 4.45Å; W356-L412 HydrophobicContact CE3-CB 3.9Å; W356-L412 HydrophobicContact CE3-CD2 4.44Å; W356-L412 HydrophobicContact CZ3-CB 3.86Å; W356-L413 WeakPolarHBondContact CA-O 3.48Å; W356-Q414 HydrophobicContact CD2-CB 4.13Å; W356-Q414 HydrophobicContact CD2-CG 4.1Å; W356-Q414 HydrophobicContact CE3-CB 3.81Å; W356-Q414 HydrophobicContact CE3-CG 4.3Å; W356-Q414 HydrophobicContact CH2-CB 3.69Å; W356-Q414 HydrophobicContact CH2-CG 3.98Å; W356-Q414 HydrophobicContact CZ2-CB 3.97Å; W356-Q414 HydrophobicContact CZ2-CG 3.72Å; W356-Q414 HydrophobicContact CZ3-CB 3.59Å; W356-Q414 HydrophobicContact CZ3-CG 4.25Å; W356-V552 HydrophobicContact CH2-CG1 3.74Å; W356-V552 WeakPolarHBondContact CH2-O 3.23Å; W356-V552 HydrophobicContact CZ2-CG1 4.42Å; W356-V552 WeakPolarHBondContact CZ2-O 2.95Å; W356-V552 HydrophobicContact CZ3-CG1 3.94Å; W356-T553 HydrophobicContact CB-CG2 3.78Å; W356-T553 HydrophobicContact CD2-CG2 3.66Å; W356-T553 HydrophobicContact CE3-CG2 4.15Å; W356-T553 HydrophobicContact CG-CG2 3.49Å; W356-T553 VanDerWaalsContact CG-CG2 3.49Å; W356-T553 PolarHBondContact NE1-O 2.94Å; W356-T553 VanDerWaalsContact NE1-O 3.1Å
357	V	95.3	Very high	87.3	Confident	0 Å²	0	19 Å²	19	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.1	171.9	171.5	0	0	0	0	109.2	A337 V339 A350 L351 V382 L412 L413 L415	A337-V357 HydrophobicContact CB-CB 4.48Å; A337-V357 HydrophobicContact CB-CG1 3.61Å; A337-V357 HydrophobicContact CB-CG2 3.97Å; V339-V357 HydrophobicContact CG2-CG1 4.4Å; A350-V357 CarbonylContact O-C 3.41Å; A350-V357 WeakPolarHBondContact O-CA 2.98Å; L351-V357 HydrophobicContact CD1-CG2 3.74Å; V357-V382 HydrophobicContact CG2-CG1 4.14Å; V357-L412 WeakPolarHBondContact O-CA 3.41Å; V357-L413 HydrophobicContact CB-CB 4.46Å; V357-L413 HydrophobicContact CG1-CD1 4.5Å; V357-L413 PolarHBondContact N-O 2.03Å; V357-L413 PolarHBondContact O-N 2.85Å; V357-L415 HydrophobicContact CG2-CD2 4.42Å
358	L	95.8	Very high	85.6	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	129.8	170.7	-172.7	72	0	0	0	109.2	G349 A350 V352 L410 L412 W448 L523 V542 W548 I549	G349-L358 CarbonylContact C-O 3.55Å; G349-L358 VanDerWaalsContact CA-O 3.23Å; G349-L358 WeakPolarHBondContact CA-O 3.37Å; A350-L358 PolarHBondContact N-O 2.02Å; A350-L358 PolarHBondContact O-N 2.92Å; V352-L358 HydrophobicContact CG1-CB 3.74Å; V352-L358 HydrophobicContact CG2-CB 4.35Å; L358-L410 HydrophobicContact CD1-CB 4.43Å; L358-L410 HydrophobicContact CD1-CD2 3.99Å; L358-L410 HydrophobicContact CD2-CD2 4.2Å; L358-L410 HydrophobicContact CG-CD2 4.05Å; L358-L412 HydrophobicContact CB-CD2 4.07Å; L358-L412 HydrophobicContact CD1-CD2 3.71Å; L358-L412 HydrophobicContact CD1-CG 3.79Å; L358-W448 HydrophobicContact CD2-CH2 4.3Å; L358-W448 HydrophobicContact CG-CH2 4.16Å; L358-L523 HydrophobicContact CD2-CD2 3.98Å; L358-V542 HydrophobicContact CD2-CG1 4.43Å; L358-W548 HydrophobicContact CD1-CZ3 4.09Å; L358-I549 HydrophobicContact CD1-CD1 4.34Å; L358-I549 HydrophobicContact CD1-CG1 4.33Å; L358-I549 HydrophobicContact CD2-CD1 3.97Å
359	A	93.1	Very high	83.6	Confident	0 Å²	0	28 Å²	28	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	162	-179.7	0	0	0	0	0	109.9	F364 A411 L413	A359-F364 HydrophobicContact CB-CE2 4.06Å; A359-F364 HydrophobicContact CB-CZ 4.18Å; A359-A411 PolarHBondContact N-O 3.14Å; A359-A411 PolarHBondContact O-N 3.29Å; A359-A411 VanDerWaalsContact O-O 3.05Å; A359-L413 HydrophobicContact CB-CD1 3.93Å
360	P	90.6	Very high	81.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	20%	0.198	C	C	.	.			trans	-66	142.2	177.8	19.2	-23.8	0	0	0	112.3	H348 C363 F364 D409 W448	H348-P360 WeakPolarHBondContact O-CD 3.43Å; P360-C363 WeakPolarHBondContact O-CB 3.39Å; P360-C363 PolarHBondContact O-N 3.27Å; P360-F364 WeakPolarHBondContact O-CD2 3.47Å; P360-F364 VanDerWaalsContact O-CE2 3.23Å; P360-F364 WeakPolarHBondContact O-CE2 3.47Å; P360-D409 VanDerWaalsContact CA-O 3.29Å; P360-D409 WeakPolarHBondContact CA-O 3.23Å; P360-D409 WeakPolarHBondContact CB-OD2 3.36Å; P360-W448 HydrophobicContact CG-CD2 4.41Å; P360-W448 HydrophobicContact CG-CG 4.28Å
361	A	89.3	Confident	78.4	Confident	4 Å²	4	39.8 Å²	39.8	3%	0.033	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-73.7	-31.4	-173.8	0	0	0	0	0	112.3	C363 F364 A402 D409 L410 A411	A361-C363 PolarHBondContact O-N 3.15Å; A361-F364 PolarHBondContact O-N 2.92Å; A361-A402 HydrophobicContact CB-CB 3.67Å; A361-D409 VanDerWaalsContact CA-OD1 3.23Å; A361-D409 WeakPolarHBondContact CA-OD1 3.23Å; A361-D409 WeakPolarHBondContact CB-OD1 3.2Å; A361-D409 PolarHBondContact N-O 2.9Å; A361-D409 PolarHBondContact N-OD1 3.3Å; A361-D409 PolarHBondContact N-OD2 3.44Å; A361-L410 WeakPolarHBondContact CB-O 3.01Å; A361-A411 HydrophobicContact CB-CB 3.97Å
362	S	85.2	Confident	75.8	Confident	55 Å²	55	41.8 Å²	41.8	39%	0.385	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-53.2	-21.2	172	62.9	0	0	0	0	113.7	F364 D409	S362-F364 PolarHBondContact O-N 3.05Å; S362-D409 WeakPolarHBondContact CB-OD2 3.48Å; S362-D409 PolarHBondContact N-OD1 3.4Å; S362-D409 PolarHBondContact N-OD2 2.78Å; S362-D409 PolarHBondContact OG-OD2 2.96Å
363	C	84.7	Confident	73.7	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.007	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-67.4	-17	170.8	-77.7	0	0	0	0	114.4	C347 P360 A361 R450	C347-C363 HydrophobicContact CB-CB 3.58Å; C347-C363 WeakPolarHBondContact CB-SG 3.47Å; C347-C363 WeakPolarHBondContact SG-CB 3.41Å; C347-C363 CovalentContact SG-SG 2.02Å; C347-C363 PolarHBondContact SG-SG 2.69Å; P360-C363 WeakPolarHBondContact O-CB 3.39Å; P360-C363 PolarHBondContact O-N 3.27Å; A361-C363 PolarHBondContact O-N 3.15Å; C363-R450 VanDerWaalsContact C-NH2 3.35Å; C363-R450 PolarHBondContact O-NH2 3.08Å
364	F	86	Confident	72	Confident	11 Å²	11	49.4 Å²	49.4	5%	0.048	31%	0.307	C	S	.	.	S	Bend	trans	-126.3	147.7	-166.2	-50.7	-62.3	0	0	0	112.1	V339 V341 A359 P360 A361 S362 H366 W380 L396 A411 L413	V339-F364 HydrophobicContact CB-CE1 4.35Å; V339-F364 HydrophobicContact CB-CZ 4.3Å; V339-F364 HydrophobicContact CG1-CE1 3.79Å; V339-F364 HydrophobicContact CG1-CZ 4.09Å; V339-F364 HydrophobicContact CG2-CZ 4.44Å; V341-F364 HydrophobicContact CG2-CD1 3.88Å; V341-F364 HydrophobicContact CG2-CE1 3.81Å; A359-F364 HydrophobicContact CB-CE2 4.06Å; A359-F364 HydrophobicContact CB-CZ 4.18Å; P360-F364 WeakPolarHBondContact O-CD2 3.47Å; P360-F364 VanDerWaalsContact O-CE2 3.23Å; P360-F364 WeakPolarHBondContact O-CE2 3.47Å; A361-F364 PolarHBondContact O-N 2.92Å; S362-F364 PolarHBondContact O-N 3.05Å; F364-H366 PolarHBondContact O-N 3.35Å; F364-W380 HydrophobicContact CB-CH2 4.11Å; F364-W380 HydrophobicContact CB-CZ3 4.49Å; F364-W380 HydrophobicContact CD1-CE3 4.27Å; F364-W380 AromaticContact CD1-CH2 3.62Å; F364-W380 HydrophobicContact CD1-CH2 3.62Å; F364-W380 AromaticContact CD1-CZ3 3.33Å; F364-W380 HydrophobicContact CD1-CZ3 3.33Å; F364-W380 HydrophobicContact CE1-CE3 4.39Å; F364-W380 HydrophobicContact CE1-CH2 4.5Å; F364-W380 AromaticContact CE1-CZ3 3.81Å; F364-W380 HydrophobicContact CE1-CZ3 3.81Å; F364-W380 HydrophobicContact CG-CH2 4.17Å; F364-W380 HydrophobicContact CG-CZ3 4.06Å; F364-L396 HydrophobicContact CB-CD2 4.07Å; F364-L396 HydrophobicContact CD2-CD1 4.15Å; F364-L396 HydrophobicContact CG-CD1 4.34Å; F364-L396 HydrophobicContact CG-CD2 4.38Å; F364-A411 HydrophobicContact CD2-CB 3.91Å; F364-A411 HydrophobicContact CE2-CB 4.12Å; F364-L413 HydrophobicContact CE1-CD2 4.11Å; F364-L413 HydrophobicContact CE2-CD1 3.96Å; F364-L413 HydrophobicContact CZ-CD1 3.88Å; F364-L413 HydrophobicContact CZ-CD2 3.93Å; F364-L413 HydrophobicContact CZ-CG 4.46Å
365	P	75.9	Confident	70.3	Confident	73 Å²	73	57.1 Å²	57.1	47%	0.474	33%	0.333	S	S	.	.			trans	-70.6	120.5	-178.8	28.5	-34.3	0	0	0	111.6	W380	P365-W380 HydrophobicContact CG-CZ2 4.49Å
366	H	64.3	Low	69.3	Low	57 Å²	57	60 Å²	60	26%	0.264	35%	0.347	S	S	.	.			trans	-68.8	133.8	-177.2	-148.1	-86.8	0	0	0	111.8	F364 S368 S369 H398 S403	F364-H366 PolarHBondContact O-N 3.35Å; H366-S368 PolarHBondContact ND1-OG 3.2Å; H366-S368 PolarHBondContact O-N 2.87Å; H366-S368 VanDerWaalsContact O-N 3.13Å; H366-S369 PolarHBondContact O-N 3.39Å; H366-S369 VanDerWaalsContact O-N 3.15Å; H366-S369 PolarHBondContact O-OG 3.46Å; H366-H398 AromaticContact CD2-ND1 4Å; H366-S403 PolarHBondContact NE2-OG 2.71Å
367	P	55.1	Low	68.7	Low	78 Å²	78	61 Å²	61	51%	0.506	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-61.8	-23.5	-174.2	21.6	-33.3	0	0	0	114.6	S369 S370	P367-S369 PolarHBondContact O-N 2.71Å; P367-S370 PolarHBondContact O-N 3.29Å; P367-S370 VanDerWaalsContact O-O 3.08Å
368	S	52.3	Low	67.8	Low	104 Å²	104	64 Å²	64	73%	0.727	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-65.3	-4.1	175.7	47.5	0	0	0	0	115	H366	H366-S368 PolarHBondContact ND1-OG 3.2Å; H366-S368 PolarHBondContact O-N 2.87Å; H366-S368 VanDerWaalsContact O-N 3.13Å
369	S	48	Very low	67.2	Low	92 Å²	92	65.1 Å²	65.1	64%	0.643	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-95.5	-10.3	178.5	64.1	0	0	0	0	115	H366 P367	H366-S369 PolarHBondContact O-N 3.39Å; H366-S369 VanDerWaalsContact O-N 3.15Å; H366-S369 PolarHBondContact O-OG 3.46Å; P367-S369 PolarHBondContact O-N 2.71Å
370	S	41.7	Very low	67.1	Low	68 Å²	68	65.8 Å²	65.8	48%	0.476	38%	0.381	S	S	.	.	S	Bend	trans	-161.8	141.5	172.5	69.1	0	0	0	0	112.8	P367 S372	P367-S370 PolarHBondContact O-N 3.29Å; P367-S370 VanDerWaalsContact O-O 3.08Å; S370-S372 PolarHBondContact O-N 2.97Å
371	D	35.4	Very low	67.2	Low	186 Å²	186	69.8 Å²	69.8	100%	0.995	40%	0.396	S	S	*	.	S	Bend	trans	-68.9	42	177.9	-67.5	-52.6	0	0	0	115
372	S	41.3	Very low	67.4	Low	42 Å²	42	69.6 Å²	69.6	29%	0.294	39%	0.394	S	S	.	.	S	Bend	trans	-154.1	139	168.7	61.5	0	0	0	0	111.9	S370	S370-S372 PolarHBondContact O-N 2.97Å
373	P	49.5	Very low	67.7	Low	106 Å²	106	70.3 Å²	70.3	69%	0.688	39%	0.393	S	S	*	.			trans	-59.8	152.7	169.7	27.8	-35.3	0	0	0	110.1	R375	P373-R375 WeakPolarHBondContact O-CG 3.12Å; P373-R375 PolarHBondContact O-N 2.02Å
374	P	55.1	Low	68	Low	56 Å²	56	70.8 Å²	70.8	36%	0.364	40%	0.396	S	S	.	.			trans	-59.4	102.5	-176.6	23.2	-33.6	0	0	0	110.8	D376 L377	P374-D376 PolarHBondContact O-N 3.01Å; P374-L377 HydrophobicContact CB-CD2 4.45Å; P374-L377 HydrophobicContact CG-CD2 4.02Å; P374-L377 HydrophobicContact CG-CG 4.16Å
375	R	53.5	Low	68.1	Low	227 Å²	227	72 Å²	72	86%	0.857	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	1.5	-168.3	-66.9	-171	175.9	-145.8	-1.6	115.5	P373	P373-R375 WeakPolarHBondContact O-CG 3.12Å; P373-R375 PolarHBondContact O-N 2.02Å
376	D	69.9	Low	68.3	Low	90 Å²	90	73.7 Å²	73.7	48%	0.481	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.9	44.2	-174.5	-159.7	8.7	0	0	0	113.5	P374 D378 A379	P374-D376 PolarHBondContact O-N 3.01Å; D376-D378 PolarHBondContact O-N 2.97Å; D376-A379 HydrophobicContact CB-CB 4.47Å; D376-A379 PolarHBondContact O-N 3.2Å; D376-A379 VanDerWaalsContact O-N 3.09Å; D376-A379 VanDerWaalsContact OD1-CB 3.23Å; D376-A379 WeakPolarHBondContact OD1-CB 3.29Å; D376-A379 PolarHBondContact OD1-N 3.49Å; D376-A379 VanDerWaalsContact OD2-CB 3.24Å; D376-A379 WeakPolarHBondContact OD2-CB 3.47Å
377	L	79.7	Confident	69	Low	32 Å²	32	74.4 Å²	74.4	17%	0.168	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-56.4	-25.6	162.8	-67.3	179.1	0	0	0	111.6	P374 A379 W380 V393 L396	P374-L377 HydrophobicContact CB-CD2 4.45Å; P374-L377 HydrophobicContact CG-CD2 4.02Å; P374-L377 HydrophobicContact CG-CG 4.16Å; L377-A379 PolarHBondContact O-N 3.19Å; L377-W380 HydrophobicContact CD2-CD2 3.76Å; L377-W380 HydrophobicContact CD2-CE3 3.85Å; L377-W380 HydrophobicContact CD2-CG 4.37Å; L377-W380 HydrophobicContact CD2-CH2 4.04Å; L377-W380 HydrophobicContact CD2-CZ2 3.96Å; L377-W380 HydrophobicContact CD2-CZ3 3.98Å; L377-W380 WeakPolarHBondContact O-CB 3.17Å; L377-W380 PolarHBondContact O-N 3.01Å; L377-V393 HydrophobicContact CD2-CG1 4.4Å; L377-L396 HydrophobicContact CD2-CB 4.43Å
378	D	77.7	Confident	69.7	Low	61 Å²	61	77.2 Å²	77.2	33%	0.326	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-68.3	-12	175.4	-119.9	-54.6	0	0	0	114	D376 R381 R392 R416	D376-D378 PolarHBondContact O-N 2.97Å; D378-R381 VanDerWaalsContact O-CZ 3.25Å; D378-R381 PolarHBondContact O-NH1 3.46Å; D378-R381 PolarHBondContact O-NH2 3.32Å; D378-R392 IonicContact OD1-CZ 3.89Å; D378-R392 IonicContact OD1-NH1 2.73Å; D378-R392 PolarHBondContact OD1-NH1 2.87Å; D378-R416 IonicContact OD1-CZ 3.8Å; D378-R416 IonicContact OD1-NH1 3.89Å; D378-R416 PolarHBondContact OD1-NH1 2.84Å; D378-R416 IonicContact OD1-NH2 2.73Å; D378-R416 IonicContact OD2-CZ 3.98Å; D378-R416 IonicContact OD2-NH1 2.8Å; D378-R416 PolarHBondContact OD2-NH1 2.87Å; D378-R416 IonicContact OD2-NH2 3.2Å; D378-R416 PolarHBondContact OD2-NH2 2.85Å
379	A	83.8	Confident	71.1	Confident	25 Å²	25	82 Å²	82	21%	0.207	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-92.4	-14	166.9	0	0	0	0	0	114.2	P342 D376 L377 R381	P342-A379 HydrophobicContact CG-CB 3.77Å; D376-A379 HydrophobicContact CB-CB 4.47Å; D376-A379 PolarHBondContact O-N 3.2Å; D376-A379 VanDerWaalsContact O-N 3.09Å; D376-A379 VanDerWaalsContact OD1-CB 3.23Å; D376-A379 WeakPolarHBondContact OD1-CB 3.29Å; D376-A379 PolarHBondContact OD1-N 3.49Å; D376-A379 VanDerWaalsContact OD2-CB 3.24Å; D376-A379 WeakPolarHBondContact OD2-CB 3.47Å; L377-A379 PolarHBondContact O-N 3.19Å; A379-R381 PolarHBondContact O-NH1 3.39Å
380	W	90.3	Very high	73	Confident	13 Å²	13	79.3 Å²	79.3	5%	0.049	42%	0.422	C	S	.	.			trans	-75.2	138.7	-179.3	-65.6	27.3	0	0	0	110.7	V341 F364 P365 L377 V393 L396 L413	V341-W380 HydrophobicContact CG1-CD2 4.39Å; V341-W380 HydrophobicContact CG1-CZ2 4.02Å; V341-W380 HydrophobicContact CG2-CD2 3.92Å; V341-W380 HydrophobicContact CG2-CE3 3.88Å; V341-W380 HydrophobicContact CG2-CH2 4.3Å; V341-W380 HydrophobicContact CG2-CZ2 4.33Å; V341-W380 HydrophobicContact CG2-CZ3 4.08Å; F364-W380 HydrophobicContact CB-CH2 4.11Å; F364-W380 HydrophobicContact CB-CZ3 4.49Å; F364-W380 HydrophobicContact CD1-CE3 4.27Å; F364-W380 AromaticContact CD1-CH2 3.62Å; F364-W380 HydrophobicContact CD1-CH2 3.62Å; F364-W380 AromaticContact CD1-CZ3 3.33Å; F364-W380 HydrophobicContact CD1-CZ3 3.33Å; F364-W380 HydrophobicContact CE1-CE3 4.39Å; F364-W380 HydrophobicContact CE1-CH2 4.5Å; F364-W380 AromaticContact CE1-CZ3 3.81Å; F364-W380 HydrophobicContact CE1-CZ3 3.81Å; F364-W380 HydrophobicContact CG-CH2 4.17Å; F364-W380 HydrophobicContact CG-CZ3 4.06Å; P365-W380 HydrophobicContact CG-CZ2 4.49Å; L377-W380 HydrophobicContact CD2-CD2 3.76Å; L377-W380 HydrophobicContact CD2-CE3 3.85Å; L377-W380 HydrophobicContact CD2-CG 4.37Å; L377-W380 HydrophobicContact CD2-CH2 4.04Å; L377-W380 HydrophobicContact CD2-CZ2 3.96Å; L377-W380 HydrophobicContact CD2-CZ3 3.98Å; L377-W380 WeakPolarHBondContact O-CB 3.17Å; L377-W380 PolarHBondContact O-N 3.01Å; W380-V393 HydrophobicContact CB-CB 4.24Å; W380-V393 HydrophobicContact CB-CG2 3.87Å; W380-V393 HydrophobicContact CE3-CG2 4.46Å; W380-L396 HydrophobicContact CH2-CD2 3.75Å; W380-L396 HydrophobicContact CZ3-CD1 4.47Å; W380-L396 HydrophobicContact CZ3-CD2 3.88Å; W380-L413 HydrophobicContact CE3-CD2 4.23Å; W380-L413 HydrophobicContact CZ3-CD2 4.28Å
381	R	91.9	Very high	75.3	Confident	84 Å²	84	77 Å²	77	32%	0.317	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.4	-174	-62.7	-67.4	172.1	-88.8	-2.5	111.1	M340 D378 A379 A390 E391	M340-R381 HydrophobicContact CB-CB 4.2Å; M340-R381 WeakPolarHBondContact CB-O 3.37Å; M340-R381 PolarHBondContact N-O 3.49Å; M340-R381 PolarHBondContact O-N 2.8Å; D378-R381 VanDerWaalsContact O-CZ 3.25Å; D378-R381 PolarHBondContact O-NH1 3.46Å; D378-R381 PolarHBondContact O-NH2 3.32Å; A379-R381 PolarHBondContact O-NH1 3.39Å; R381-A390 HydrophobicContact CB-CB 3.85Å; R381-A390 HydrophobicContact CG-CB 4.4Å; R381-E391 CarbonylContact C-O 3.55Å; R381-E391 WeakPolarHBondContact CA-O 3.41Å
382	V	93.4	Very high	78	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	117.6	172.5	-176.5	0	0	0	0	108.7	A337 V339 V357 L384 A390 E391 V393 L415	A337-V382 HydrophobicContact CB-CG1 4.21Å; V339-V382 HydrophobicContact CG2-CG2 4.39Å; V357-V382 HydrophobicContact CG2-CG1 4.14Å; V382-L384 HydrophobicContact CG1-CD2 4.17Å; V382-L384 HydrophobicContact CG1-CG 4.16Å; V382-A390 CarbonylContact O-C 3.55Å; V382-A390 VanDerWaalsContact O-CA 3.25Å; V382-A390 WeakPolarHBondContact O-CA 3.04Å; V382-E391 PolarHBondContact N-O 3.1Å; V382-E391 PolarHBondContact O-N 2.99Å; V382-V393 HydrophobicContact CG2-CG2 4.03Å; V382-L415 HydrophobicContact CB-CD2 4.05Å; V382-L415 HydrophobicContact CG1-CD2 4.38Å; V382-L415 HydrophobicContact CG2-CD2 3.75Å
383	L	92.4	Very high	80.4	Confident	71 Å²	71	71.4 Å²	71.4	37%	0.372	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	135.3	169.6	-67.1	164.1	0	0	0	108.8	Q338 M340 A390	Q338-L383 HydrophobicContact CB-CB 4.23Å; Q338-L383 PolarHBondContact N-O 2.66Å; Q338-L383 PolarHBondContact O-N 2.91Å; M340-L383 HydrophobicContact CG-CD1 3.91Å; M340-L383 HydrophobicContact CG-CG 4.44Å; M340-L383 HydrophobicContact SD-CD1 4.33Å; L383-A390 HydrophobicContact CD2-CB 3.68Å; L383-A390 HydrophobicContact CG-CB 4.21Å
384	L	91.6	Very high	82.3	Confident	11 Å²	11	68.3 Å²	68.3	6%	0.058	35%	0.346	C	S	.	.			trans	-127.8	152.7	179.8	-69.4	174.3	0	0	0	110.2	A337 L351 V382 R387 E391 V419 P425	A337-L384 HydrophobicContact CB-CD2 3.77Å; L351-L384 HydrophobicContact CB-CD2 4.31Å; L351-L384 HydrophobicContact CD1-CD1 4.23Å; L351-L384 HydrophobicContact CD1-CD2 4.2Å; L351-L384 HydrophobicContact CD2-CD1 4.48Å; L351-L384 HydrophobicContact CD2-CD2 4.49Å; V382-L384 HydrophobicContact CG1-CD2 4.17Å; V382-L384 HydrophobicContact CG1-CG 4.16Å; L384-R387 PolarHBondContact O-N 3.35Å; L384-E391 HydrophobicContact CD1-CG 4.42Å; L384-V419 HydrophobicContact CD1-CG1 4.02Å; L384-V419 HydrophobicContact CD1-CG2 3.85Å; L384-P425 HydrophobicContact CB-CB 4.19Å; L384-P425 HydrophobicContact CB-CG 4.31Å; L384-P425 HydrophobicContact CD1-CB 4.43Å; L384-P425 HydrophobicContact CD1-CG 4.27Å
385	P	86.6	Confident	83.9	Confident	35 Å²	35	71.7 Å²	71.7	23%	0.227	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	142.4	-174	-22.4	36	0	0	0	111.5	E336 R387 A424 P425	E336-P385 HydrophobicContact CB-CG 4.37Å; E336-P385 VanDerWaalsContact O-CD 3.29Å; E336-P385 WeakPolarHBondContact O-CD 3.39Å; E336-P385 WeakPolarHBondContact O-CG 3.43Å; P385-R387 PolarHBondContact O-N 3.04Å; P385-A424 HydrophobicContact CB-CB 4.29Å; P385-A424 CarbonylContact O-C 3.59Å; P385-P425 WeakPolarHBondContact O-CD 3.38Å
386	S	80.8	Confident	85.6	Confident	109 Å²	109	62.3 Å²	62.3	76%	0.762	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	4.3	-179.6	-57.1	0	0	0	0	117.2
387	R	79.2	Confident	86.6	Confident	73 Å²	73	59 Å²	59	28%	0.275	30%	0.301	S	S	.	.			trans	-98.2	127.9	173.7	-72.1	177	79.9	101.5	-10.2	111.6	L384 P385 R389 E391 P425	L384-R387 PolarHBondContact O-N 3.35Å; P385-R387 PolarHBondContact O-N 3.04Å; R387-R389 VanDerWaalsContact C-N 3.29Å; R387-R389 PolarHBondContact O-N 2.97Å; R387-E391 IonicContact CZ-OE1 3.43Å; R387-E391 IonicContact NE-OE1 2.6Å; R387-E391 PolarHBondContact NE-OE1 2.96Å; R387-E391 IonicContact NH2-OE1 3.59Å; R387-E391 PolarHBondContact NH2-OE1 3.18Å; R387-P425 HydrophobicContact CG-CG 4.38Å
388	P	70.6	Confident	87.1	Confident	136 Å²	136	59 Å²	59	88%	0.883	30%	0.3	S	S	*	.	S	Bend	trans	-83.9	0.6	178.3	35	-37.2	0	0	0	113.8
389	R	81.3	Confident	87.6	Confident	205 Å²	205	57.1 Å²	57.1	77%	0.774	29%	0.289	S	S	*	.	S	Bend	trans	-121.7	138.1	175.6	-69.6	-176.9	176.9	178.4	-0.6	108.5	R387	R387-R389 VanDerWaalsContact C-N 3.29Å; R387-R389 PolarHBondContact O-N 2.97Å
390	A	86.5	Confident	87.4	Confident	36 Å²	36	62.3 Å²	62.3	30%	0.298	31%	0.314	S	S	.	.			trans	-86	135.2	171.5	0	0	0	0	0	110	R381 V382 L383	R381-A390 HydrophobicContact CB-CB 3.85Å; R381-A390 HydrophobicContact CG-CB 4.4Å; V382-A390 CarbonylContact O-C 3.55Å; V382-A390 VanDerWaalsContact O-CA 3.25Å; V382-A390 WeakPolarHBondContact O-CA 3.04Å; L383-A390 HydrophobicContact CD2-CB 3.68Å; L383-A390 HydrophobicContact CG-CB 4.21Å
391	E	91.6	Very high	87.1	Confident	19 Å²	19	65.9 Å²	65.9	9%	0.089	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	161.6	177.1	-51.4	-53.8	155.4	0	0	110.7	R381 V382 L384 R387 L415 T417 V419	R381-E391 CarbonylContact C-O 3.55Å; R381-E391 WeakPolarHBondContact CA-O 3.41Å; V382-E391 PolarHBondContact N-O 3.1Å; V382-E391 PolarHBondContact O-N 2.99Å; L384-E391 HydrophobicContact CD1-CG 4.42Å; R387-E391 IonicContact CZ-OE1 3.43Å; R387-E391 IonicContact NE-OE1 2.6Å; R387-E391 PolarHBondContact NE-OE1 2.96Å; R387-E391 IonicContact NH2-OE1 3.59Å; R387-E391 PolarHBondContact NH2-OE1 3.18Å; E391-L415 HydrophobicContact CB-CD2 4.25Å; E391-T417 PolarHBondContact OE2-OG1 3.37Å; E391-V419 HydrophobicContact CG-CG2 3.97Å
392	R	91.8	Very high	86.4	Confident	110 Å²	110	62.5 Å²	62.5	42%	0.415	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	144.9	178.9	-67.9	-169.3	-78	173.3	-10.3	111.3	D378 L415 R416	D378-R392 IonicContact OD1-CZ 3.89Å; D378-R392 IonicContact OD1-NH1 2.73Å; D378-R392 PolarHBondContact OD1-NH1 2.87Å; R392-L415 CarbonylContact O-C 3.54Å; R392-L415 WeakPolarHBondContact O-CA 2.96Å; R392-R416 HydrophobicContact CB-CB 4.27Å; R392-R416 PolarHBondContact O-N 3.26Å
393	V	91.3	Very high	85.4	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	135.2	172.5	-175.7	0	0	0	0	109.5	L377 W380 V382 R395 L413 Q414	L377-V393 HydrophobicContact CD2-CG1 4.4Å; W380-V393 HydrophobicContact CB-CB 4.24Å; W380-V393 HydrophobicContact CB-CG2 3.87Å; W380-V393 HydrophobicContact CE3-CG2 4.46Å; V382-V393 HydrophobicContact CG2-CG2 4.03Å; V393-R395 WeakPolarHBondContact CG1-O 3.24Å; V393-L413 HydrophobicContact CG1-CB 4.42Å; V393-L413 HydrophobicContact CG1-CD2 4.39Å; V393-L413 HydrophobicContact CG2-CD2 4.01Å; V393-Q414 CarbonylContact C-O 3.47Å; V393-Q414 WeakPolarHBondContact CA-O 3.49Å
394	A	88.8	Confident	84.1	Confident	41 Å²	41	72.8 Å²	72.8	34%	0.339	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-40.9	172.3	0	0	0	0	0	112.2	Q414 R416	A394-Q414 PolarHBondContact N-O 2.78Å; A394-R416 HydrophobicContact CB-CB 3.99Å
395	R	89.4	Confident	83.1	Confident	127 Å²	127	75.4 Å²	75.4	48%	0.479	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	145.2	-177.3	-174.2	-178.9	176.5	-171.3	-2.8	109.2	V393 V397 Q414	V393-R395 WeakPolarHBondContact CG1-O 3.24Å; R395-V397 HydrophobicContact CG-CG2 3.94Å; R395-Q414 HydrophobicContact CB-CB 3.81Å; R395-Q414 PolarHBondContact O-N 2.93Å
396	L	89.9	Confident	82.4	Confident	30 Å²	30	77.3 Å²	77.3	16%	0.157	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.8	167.4	175.8	67.9	0	0	0	107	F364 L377 W380 H398 A411 L413	F364-L396 HydrophobicContact CB-CD2 4.07Å; F364-L396 HydrophobicContact CD2-CD1 4.15Å; F364-L396 HydrophobicContact CG-CD1 4.34Å; F364-L396 HydrophobicContact CG-CD2 4.38Å; L377-L396 HydrophobicContact CD2-CB 4.43Å; W380-L396 HydrophobicContact CH2-CD2 3.75Å; W380-L396 HydrophobicContact CZ3-CD1 4.47Å; W380-L396 HydrophobicContact CZ3-CD2 3.88Å; L396-H398 WeakPolarHBondContact CD2-NE2 3.4Å; L396-A411 HydrophobicContact CD1-CB 4.02Å; L396-L413 HydrophobicContact CD1-CD1 4.43Å; L396-L413 HydrophobicContact CD1-CD2 4.16Å; L396-L413 HydrophobicContact CD1-CG 3.8Å
397	V	90.5	Very high	82.2	Confident	22 Å²	22	72.7 Å²	72.7	13%	0.133	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	122.2	174.8	-174.4	0	0	0	0	107.6	W356 R395 A411 L412 W548 V552	W356-V397 HydrophobicContact CH2-CG2 4.45Å; R395-V397 HydrophobicContact CG-CG2 3.94Å; V397-A411 CarbonylContact O-C 3.36Å; V397-A411 VanDerWaalsContact O-CA 3.22Å; V397-A411 WeakPolarHBondContact O-CA 3.13Å; V397-L412 PolarHBondContact N-O 2.83Å; V397-L412 PolarHBondContact O-N 2.91Å; V397-W548 HydrophobicContact CG1-CZ2 4.31Å; V397-V552 HydrophobicContact CB-CG1 3.87Å; V397-V552 HydrophobicContact CG1-CG1 3.94Å; V397-V552 HydrophobicContact CG1-CG2 3.94Å; V397-V552 HydrophobicContact CG2-CG1 3.85Å
398	H	89.4	Confident	82.4	Confident	30 Å²	30	69.4 Å²	69.4	14%	0.139	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	151.8	171.5	-70.2	-110.3	0	0	0	109.3	H366 L396	H366-H398 AromaticContact CD2-ND1 4Å; L396-H398 WeakPolarHBondContact CD2-NE2 3.4Å
399	H	88.4	Confident	83.2	Confident	22 Å²	22	63.4 Å²	63.4	10%	0.102	31%	0.307	C	S	.	.			trans	-72	136.2	163	-176.4	-88.3	0	0	0	108.7	N401 A402 S408 L410 H545 W548	H399-N401 VanDerWaalsContact C-N 3.25Å; H399-N401 PolarHBondContact O-N 3.31Å; H399-N401 VanDerWaalsContact O-N 3.17Å; H399-A402 HydrophobicContact CB-CB 4.39Å; H399-A402 WeakPolarHBondContact O-CB 3.36Å; H399-A402 PolarHBondContact O-N 3.08Å; H399-S408 PolarHBondContact CE1-OG 2.7Å; H399-S408 VanDerWaalsContact CE1-OG 3.22Å; H399-S408 WeakPolarHBondContact ND1-CB 3.29Å; H399-L410 HydrophobicContact CB-CB 4.11Å; H399-L410 WeakPolarHBondContact CB-O 3.32Å; H399-L410 PolarHBondContact N-O 3.08Å; H399-H545 AromaticContact CD2-ND1 3.62Å; H399-H545 AromaticContact CE1-CE1 3.92Å; H399-H545 AromaticContact CE1-ND1 3.58Å; H399-H545 AromaticContact NE2-CE1 3.79Å; H399-H545 AromaticContact NE2-ND1 3.01Å; H399-H545 PolarHBondContact NE2-ND1 2.84Å; H399-W548 HydrophobicContact CB-CD2 4.18Å; H399-W548 HydrophobicContact CB-CE3 4.3Å; H399-W548 HydrophobicContact CB-CH2 3.95Å; H399-W548 HydrophobicContact CB-CZ2 3.78Å; H399-W548 HydrophobicContact CB-CZ3 4.2Å; H399-W548 AromaticContact CD2-CD2 3.5Å; H399-W548 AromaticContact CD2-CE3 3.63Å; H399-W548 AromaticContact CD2-CG 3.67Å; H399-W548 VanDerWaalsContact N-CZ2 3.31Å
400	D	80.6	Confident	83.7	Confident	135 Å²	135	53.7 Å²	53.7	72%	0.722	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-33.1	-166.7	-63.3	-62.8	0	0	0	113.5	A402	D400-A402 VanDerWaalsContact C-N 3.35Å
401	N	82.3	Confident	84	Confident	87 Å²	87	52 Å²	52	47%	0.465	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-0.8	177.9	-68.4	-15.9	0	0	0	114.5	H399 S403 W404 D405 S408	H399-N401 VanDerWaalsContact C-N 3.25Å; H399-N401 PolarHBondContact O-N 3.31Å; H399-N401 VanDerWaalsContact O-N 3.17Å; N401-S403 PolarHBondContact O-N 2.97Å; N401-W404 PolarHBondContact O-N 2.94Å; N401-D405 PolarHBondContact O-N 2.91Å; N401-S408 WeakPolarHBondContact CB-OG 3.36Å
402	A	77.9	Confident	84.1	Confident	14 Å²	14	51 Å²	51	12%	0.116	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-8	-170.9	0	0	0	0	0	116	A361 H399 D400 S408	A361-A402 HydrophobicContact CB-CB 3.67Å; H399-A402 HydrophobicContact CB-CB 4.39Å; H399-A402 WeakPolarHBondContact O-CB 3.36Å; H399-A402 PolarHBondContact O-N 3.08Å; D400-A402 VanDerWaalsContact C-N 3.35Å; A402-S408 VanDerWaalsContact CA-O 3.27Å; A402-S408 WeakPolarHBondContact CA-O 3.11Å; A402-S408 WeakPolarHBondContact CB-O 3.47Å
403	S	72.9	Confident	84.2	Confident	64 Å²	64	45.8 Å²	45.8	45%	0.448	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-0.3	173.4	44.1	0	0	0	0	114.1	H366 N401	H366-S403 PolarHBondContact NE2-OG 2.71Å; N401-S403 PolarHBondContact O-N 2.97Å
404	W	64.4	Low	84.3	Confident	223 Å²	223	48.8 Å²	48.8	85%	0.845	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.7	-21.1	-172.5	-59.8	101.4	0	0	0	114.3	N401	N401-W404 PolarHBondContact O-N 2.94Å
405	D	71.9	Confident	84.4	Confident	65 Å²	65	47.2 Å²	47.2	35%	0.348	23%	0.232	S	C	.	.			trans	-142.5	122.8	-172.3	163.9	38	0	0	0	110.5	N401 A407 S408 D409	N401-D405 PolarHBondContact O-N 2.91Å; D405-A407 PolarHBondContact O-N 2.95Å; D405-A407 WeakPolarHBondContact OD1-CB 3.49Å; D405-A407 PolarHBondContact OD1-N 2.85Å; D405-S408 CarbonylContact O-C 3.59Å; D405-S408 WeakPolarHBondContact O-CA 3.36Å; D405-S408 WeakPolarHBondContact O-CB 3.43Å; D405-S408 PolarHBondContact O-N 2.84Å; D405-S408 WeakPolarHBondContact OD2-CB 3.44Å; D405-S408 PolarHBondContact OD2-N 3.28Å; D405-S408 VanDerWaalsContact OD2-N 3.08Å; D405-S408 PolarHBondContact OD2-OG 3.37Å; D405-D409 PolarHBondContact O-N 2.85Å
406	D	70.9	Confident	84.4	Confident	76 Å²	76	46.3 Å²	46.3	41%	0.406	23%	0.229	S	C	.	.	S	Bend	trans	-71.2	-16.6	-178.1	-50.5	-59.2	0	0	0	113	F529	D406-F529 HydrophobicContact CB-CD2 4.36Å; D406-F529 HydrophobicContact CB-CE2 3.9Å; D406-F529 HydrophobicContact CB-CZ 4.46Å; D406-F529 WeakPolarHBondContact OD2-CE2 3.26Å; D406-F529 WeakPolarHBondContact OD2-CZ 3.29Å
407	A	76.1	Confident	84.3	Confident	12 Å²	12	48.3 Å²	48.3	10%	0.099	24%	0.242	C	C	.	.	S	Bend	trans	-73.8	-36.2	167.9	0	0	0	0	0	111.2	D405 D409 F540 H545	D405-A407 PolarHBondContact O-N 2.95Å; D405-A407 WeakPolarHBondContact OD1-CB 3.49Å; D405-A407 PolarHBondContact OD1-N 2.85Å; A407-D409 VanDerWaalsContact C-N 3.29Å; A407-D409 PolarHBondContact O-N 3.06Å; A407-F540 VanDerWaalsContact CA-CD2 3.45Å; A407-F540 HydrophobicContact CB-CB 3.87Å; A407-F540 HydrophobicContact CB-CD1 3.51Å; A407-F540 HydrophobicContact CB-CD2 3.62Å; A407-F540 HydrophobicContact CB-CE1 3.86Å; A407-F540 HydrophobicContact CB-CE2 3.95Å; A407-F540 HydrophobicContact CB-CG 3.37Å; A407-F540 HydrophobicContact CB-CZ 4.06Å; A407-H545 PolarHBondContact O-NE2 2.93Å
408	S	84	Confident	84.1	Confident	4 Å²	4	51.2 Å²	51.2	3%	0.028	26%	0.261	C	S	.	.	S	Bend	trans	-80.8	6.2	177.4	-70	0	0	0	0	114.8	H399 N401 A402 D405 L410	H399-S408 PolarHBondContact CE1-OG 2.7Å; H399-S408 VanDerWaalsContact CE1-OG 3.22Å; H399-S408 WeakPolarHBondContact ND1-CB 3.29Å; N401-S408 WeakPolarHBondContact CB-OG 3.36Å; A402-S408 VanDerWaalsContact CA-O 3.27Å; A402-S408 WeakPolarHBondContact CA-O 3.11Å; A402-S408 WeakPolarHBondContact CB-O 3.47Å; D405-S408 CarbonylContact O-C 3.59Å; D405-S408 WeakPolarHBondContact O-CA 3.36Å; D405-S408 WeakPolarHBondContact O-CB 3.43Å; D405-S408 PolarHBondContact O-N 2.84Å; D405-S408 WeakPolarHBondContact OD2-CB 3.44Å; D405-S408 PolarHBondContact OD2-N 3.28Å; D405-S408 VanDerWaalsContact OD2-N 3.08Å; D405-S408 PolarHBondContact OD2-OG 3.37Å; S408-L410 PolarHBondContact O-N 3.42Å
409	D	87.5	Confident	84.1	Confident	10 Å²	10	49.9 Å²	49.9	5%	0.053	26%	0.255	C	S	.	.			trans	-71.6	73.7	179.3	-171.5	43.1	0	0	0	112	P360 A361 S362 D405 A407	P360-D409 VanDerWaalsContact CA-O 3.29Å; P360-D409 WeakPolarHBondContact CA-O 3.23Å; P360-D409 WeakPolarHBondContact CB-OD2 3.36Å; A361-D409 VanDerWaalsContact CA-OD1 3.23Å; A361-D409 WeakPolarHBondContact CA-OD1 3.23Å; A361-D409 WeakPolarHBondContact CB-OD1 3.2Å; A361-D409 PolarHBondContact N-O 2.9Å; A361-D409 PolarHBondContact N-OD1 3.3Å; A361-D409 PolarHBondContact N-OD2 3.44Å; S362-D409 WeakPolarHBondContact CB-OD2 3.48Å; S362-D409 PolarHBondContact N-OD1 3.4Å; S362-D409 PolarHBondContact N-OD2 2.78Å; S362-D409 PolarHBondContact OG-OD2 2.96Å; D405-D409 PolarHBondContact O-N 2.85Å; A407-D409 VanDerWaalsContact C-N 3.29Å; A407-D409 PolarHBondContact O-N 3.06Å
410	L	91.8	Very high	84	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.285	C	S	.	.			trans	-132.6	138.1	-176.3	-73.1	-179.4	0	0	0	112.1	L358 A361 H399 S408 W448 I526 H545 W548	L358-L410 HydrophobicContact CD1-CB 4.43Å; L358-L410 HydrophobicContact CD1-CD2 3.99Å; L358-L410 HydrophobicContact CD2-CD2 4.2Å; L358-L410 HydrophobicContact CG-CD2 4.05Å; A361-L410 WeakPolarHBondContact CB-O 3.01Å; H399-L410 HydrophobicContact CB-CB 4.11Å; H399-L410 WeakPolarHBondContact CB-O 3.32Å; H399-L410 PolarHBondContact N-O 3.08Å; S408-L410 PolarHBondContact O-N 3.42Å; L410-W448 HydrophobicContact CD2-CH2 4.42Å; L410-W448 HydrophobicContact CD2-CZ2 3.82Å; L410-I526 HydrophobicContact CD1-CD1 3.97Å; L410-I526 HydrophobicContact CD2-CD1 3.56Å; L410-I526 HydrophobicContact CG-CD1 3.76Å; L410-H545 HydrophobicContact CD1-CB 3.86Å; L410-W548 HydrophobicContact CB-CH2 4.08Å; L410-W548 HydrophobicContact CB-CZ3 3.83Å; L410-W548 HydrophobicContact CD1-CZ3 4.31Å
411	A	92.9	Very high	84.2	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	142.4	170.4	0	0	0	0	0	111.4	A359 A361 F364 L396 V397	A359-A411 PolarHBondContact N-O 3.14Å; A359-A411 PolarHBondContact O-N 3.29Å; A359-A411 VanDerWaalsContact O-O 3.05Å; A361-A411 HydrophobicContact CB-CB 3.97Å; F364-A411 HydrophobicContact CD2-CB 3.91Å; F364-A411 HydrophobicContact CE2-CB 4.12Å; L396-A411 HydrophobicContact CD1-CB 4.02Å; V397-A411 CarbonylContact O-C 3.36Å; V397-A411 VanDerWaalsContact O-CA 3.22Å; V397-A411 WeakPolarHBondContact O-CA 3.13Å
412	L	94.4	Very high	84.2	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.6	177.6	-81.3	164.5	0	0	0	110.5	V352 W356 V357 L358 V397 W548 I549 V552 T553	V352-L412 HydrophobicContact CG2-CD2 4.16Å; W356-L412 HydrophobicContact CE3-CB 3.9Å; W356-L412 HydrophobicContact CE3-CD2 4.44Å; W356-L412 HydrophobicContact CZ3-CB 3.86Å; V357-L412 WeakPolarHBondContact O-CA 3.41Å; L358-L412 HydrophobicContact CB-CD2 4.07Å; L358-L412 HydrophobicContact CD1-CD2 3.71Å; L358-L412 HydrophobicContact CD1-CG 3.79Å; V397-L412 PolarHBondContact N-O 2.83Å; V397-L412 PolarHBondContact O-N 2.91Å; L412-W548 HydrophobicContact CB-CH2 4.27Å; L412-W548 HydrophobicContact CD1-CE3 4.28Å; L412-W548 HydrophobicContact CD1-CH2 3.62Å; L412-W548 HydrophobicContact CD1-CZ2 4.04Å; L412-W548 HydrophobicContact CD1-CZ3 3.76Å; L412-W548 HydrophobicContact CG-CH2 3.75Å; L412-W548 HydrophobicContact CG-CZ2 4.44Å; L412-W548 HydrophobicContact CG-CZ3 4.1Å; L412-I549 HydrophobicContact CD1-CB 4.45Å; L412-I549 HydrophobicContact CD1-CG2 4.27Å; L412-V552 HydrophobicContact CB-CG1 4.07Å; L412-V552 HydrophobicContact CD1-CB 3.75Å; L412-V552 HydrophobicContact CD1-CG1 3.61Å; L412-T553 HydrophobicContact CD1-CG2 3.84Å; L412-T553 HydrophobicContact CD2-CG2 3.78Å; L412-T553 HydrophobicContact CG-CG2 4.4Å
413	L	94	Very high	84.3	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	114.3	179.7	-59.7	97	0	0	0	109.8	V339 W356 V357 A359 F364 W380 V393 L396	V339-L413 HydrophobicContact CG1-CD2 3.76Å; V339-L413 HydrophobicContact CG2-CD1 4.44Å; V339-L413 HydrophobicContact CG2-CD2 4.31Å; W356-L413 WeakPolarHBondContact CA-O 3.48Å; V357-L413 HydrophobicContact CB-CB 4.46Å; V357-L413 HydrophobicContact CG1-CD1 4.5Å; V357-L413 PolarHBondContact N-O 2.03Å; V357-L413 PolarHBondContact O-N 2.85Å; A359-L413 HydrophobicContact CB-CD1 3.93Å; F364-L413 HydrophobicContact CE1-CD2 4.11Å; F364-L413 HydrophobicContact CE2-CD1 3.96Å; F364-L413 HydrophobicContact CZ-CD1 3.88Å; F364-L413 HydrophobicContact CZ-CD2 3.93Å; F364-L413 HydrophobicContact CZ-CG 4.46Å; W380-L413 HydrophobicContact CE3-CD2 4.23Å; W380-L413 HydrophobicContact CZ3-CD2 4.28Å; V393-L413 HydrophobicContact CG1-CB 4.42Å; V393-L413 HydrophobicContact CG1-CD2 4.39Å; V393-L413 HydrophobicContact CG2-CD2 4.01Å; L396-L413 HydrophobicContact CD1-CD1 4.43Å; L396-L413 HydrophobicContact CD1-CD2 4.16Å; L396-L413 HydrophobicContact CD1-CG 3.8Å
414	Q	92.7	Very high	84.8	Confident	63 Å²	63	50.7 Å²	50.7	29%	0.294	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	128.4	174.9	-160.1	178	25.2	0	0	109.6	S355 W356 V393 A394 R395	S355-Q414 CarbonylContact O-C 3.42Å; S355-Q414 WeakPolarHBondContact O-CA 3.45Å; W356-Q414 HydrophobicContact CD2-CB 4.13Å; W356-Q414 HydrophobicContact CD2-CG 4.1Å; W356-Q414 HydrophobicContact CE3-CB 3.81Å; W356-Q414 HydrophobicContact CE3-CG 4.3Å; W356-Q414 HydrophobicContact CH2-CB 3.69Å; W356-Q414 HydrophobicContact CH2-CG 3.98Å; W356-Q414 HydrophobicContact CZ2-CB 3.97Å; W356-Q414 HydrophobicContact CZ2-CG 3.72Å; W356-Q414 HydrophobicContact CZ3-CB 3.59Å; W356-Q414 HydrophobicContact CZ3-CG 4.25Å; V393-Q414 CarbonylContact C-O 3.47Å; V393-Q414 WeakPolarHBondContact CA-O 3.49Å; A394-Q414 PolarHBondContact N-O 2.78Å; R395-Q414 HydrophobicContact CB-CB 3.81Å; R395-Q414 PolarHBondContact O-N 2.93Å
415	L	91.2	Very high	85.8	Confident	7 Å²	7	40.2 Å²	40.2	4%	0.037	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	136.1	174	-54.8	-178.2	0	0	0	109.7	L351 S355 V357 V382 E391 R392 T417 V419	L351-L415 HydrophobicContact CD1-CD1 4.22Å; S355-L415 PolarHBondContact O-N 2.67Å; V357-L415 HydrophobicContact CG2-CD2 4.42Å; V382-L415 HydrophobicContact CB-CD2 4.05Å; V382-L415 HydrophobicContact CG1-CD2 4.38Å; V382-L415 HydrophobicContact CG2-CD2 3.75Å; E391-L415 HydrophobicContact CB-CD2 4.25Å; R392-L415 CarbonylContact O-C 3.54Å; R392-L415 WeakPolarHBondContact O-CA 2.96Å; L415-T417 PolarHBondContact O-N 3.45Å; L415-V419 HydrophobicContact CD1-CG2 3.52Å
416	R	88.9	Confident	86.7	Confident	108 Å²	108	40.1 Å²	40.1	41%	0.408	23%	0.226	S	C	.	.	S	Bend	trans	-66.9	-17.9	179.5	-177.2	171.3	-78.8	-179.7	-0.4	113.4	D378 R392 A394	D378-R416 IonicContact OD1-CZ 3.8Å; D378-R416 IonicContact OD1-NH1 3.89Å; D378-R416 PolarHBondContact OD1-NH1 2.84Å; D378-R416 IonicContact OD1-NH2 2.73Å; D378-R416 IonicContact OD2-CZ 3.98Å; D378-R416 IonicContact OD2-NH1 2.8Å; D378-R416 PolarHBondContact OD2-NH1 2.87Å; D378-R416 IonicContact OD2-NH2 3.2Å; D378-R416 PolarHBondContact OD2-NH2 2.85Å; R392-R416 HydrophobicContact CB-CB 4.27Å; R392-R416 PolarHBondContact O-N 3.26Å; A394-R416 HydrophobicContact CB-CB 3.99Å
417	T	86.8	Confident	87.8	Confident	73 Å²	73	36.5 Å²	36.5	45%	0.448	21%	0.207	S	C	.	.	S	Bend	trans	-140.2	125	177.4	36.2	0	0	0	0	108.8	E391 L415	E391-T417 PolarHBondContact OE2-OG1 3.37Å; L415-T417 PolarHBondContact O-N 3.45Å
418	P	87.7	Confident	88.6	Confident	82 Å²	82	35.9 Å²	35.9	53%	0.532	20%	0.202	S	C	.	.			trans	-56.6	144.5	175.7	-26.1	34.5	0	0	0	112.5	E354	E354-P418 HydrophobicContact CB-CB 4.27Å; E354-P418 CarbonylContact O-C 3.33Å; E354-P418 WeakPolarHBondContact O-CA 3.45Å
419	V	88.6	Confident	89	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.012	20%	0.201	C	C	.	.			trans	-96.9	111.1	-174.3	174.4	0	0	0	0	109.6	E354 L384 E391 L415 L421 P425	E354-V419 WeakPolarHBondContact O-CB 3.12Å; E354-V419 PolarHBondContact O-N 3.19Å; L384-V419 HydrophobicContact CD1-CG1 4.02Å; L384-V419 HydrophobicContact CD1-CG2 3.85Å; E391-V419 HydrophobicContact CG-CG2 3.97Å; L415-V419 HydrophobicContact CD1-CG2 3.52Å; V419-L421 WeakPolarHBondContact O-CD2 3.16Å; V419-L421 PolarHBondContact O-N 3.23Å; V419-P425 HydrophobicContact CG1-CG 3.47Å; V419-P425 VanDerWaalsContact CG1-CG 3.47Å
420	N	85.9	Confident	89.2	Confident	137 Å²	137	35.3 Å²	35.3	73%	0.733	20%	0.199	S	C	*	.			trans	-53.4	113.3	169	-61.3	27.6	0	0	0	110.1
421	L	85.4	Confident	88.9	Confident	51 Å²	51	35.4 Å²	35.4	27%	0.267	20%	0.199	S	C	.	.			trans	-71.4	153.4	179.8	-55.3	-174.9	0	0	0	111.4	L351 E354 V419 P427	L351-L421 HydrophobicContact CD2-CD2 4.45Å; E354-L421 HydrophobicContact CG-CD1 3.89Å; E354-L421 HydrophobicContact CG-CD2 3.95Å; E354-L421 HydrophobicContact CG-CG 3.72Å; V419-L421 WeakPolarHBondContact O-CD2 3.16Å; V419-L421 PolarHBondContact O-N 3.23Å; L421-P427 HydrophobicContact CD1-CG 4.25Å
422	S	83	Confident	88.1	Confident	58 Å²	58	36.6 Å²	36.6	41%	0.406	21%	0.205	S	C	.	.	S	Bend	trans	-151.3	-139.7	174.1	75.9	0	0	0	0	111.9	A424 P425 R426	S422-A424 PolarHBondContact OG-N 2.81Å; S422-A424 VanDerWaalsContact OG-N 3.11Å; S422-A424 PolarHBondContact OG-O 2.85Å; S422-P425 PolarHBondContact N-O 3.14Å; S422-R426 PolarHBondContact O-NE 2.88Å; S422-R426 PolarHBondContact O-NH2 2.96Å
423	A	79.6	Confident	87.1	Confident	73 Å²	73	38.1 Å²	38.1	60%	0.603	21%	0.214	S	C	*	.	S	Bend	trans	-74.9	-29.9	162.3	0	0	0	0	0	111.6
424	A	82.5	Confident	85.8	Confident	21 Å²	21	42.3 Å²	42.3	17%	0.174	23%	0.234	C	C	.	.	S	Bend	trans	-158.8	125.9	170.2	0	0	0	0	0	109.9	P334 P385 S422	P334-A424 HydrophobicContact CB-CB 4.36Å; P385-A424 HydrophobicContact CB-CB 4.29Å; P385-A424 CarbonylContact O-C 3.59Å; S422-A424 PolarHBondContact OG-N 2.81Å; S422-A424 VanDerWaalsContact OG-N 3.11Å; S422-A424 PolarHBondContact OG-O 2.85Å
425	P	86.9	Confident	85	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.013	22%	0.22	C	C	.	.	S	Bend	cis	-76.1	162.8	-0.7	33	-36.6	0	0	0	113.4	P334 L351 L384 P385 R387 V419 S422	P334-P425 WeakPolarHBondContact O-CA 3.36Å; P334-P425 WeakPolarHBondContact O-CB 3.42Å; L351-P425 HydrophobicContact CD2-CB 3.91Å; L384-P425 HydrophobicContact CB-CB 4.19Å; L384-P425 HydrophobicContact CB-CG 4.31Å; L384-P425 HydrophobicContact CD1-CB 4.43Å; L384-P425 HydrophobicContact CD1-CG 4.27Å; P385-P425 WeakPolarHBondContact O-CD 3.38Å; R387-P425 HydrophobicContact CG-CG 4.38Å; V419-P425 HydrophobicContact CG1-CG 3.47Å; V419-P425 VanDerWaalsContact CG1-CG 3.47Å; S422-P425 PolarHBondContact N-O 3.14Å
426	R	90.6	Very high	84.1	Confident	63 Å²	63	40.7 Å²	40.7	24%	0.238	23%	0.225	C	C	.	.			trans	-155.1	139.2	172.5	176.9	176.4	-68.5	-105.2	-4.8	107.6	E323 P334 W335 S422	E323-R426 WeakPolarHBondContact O-CD 3.49Å; E323-R426 PolarHBondContact O-NH1 3.4Å; P334-R426 CarbonylContact C-O 3.34Å; P334-R426 HydrophobicContact CB-CB 3.93Å; P334-R426 PolarHBondContact O-N 2.83Å; W335-R426 WeakPolarHBondContact CA-O 3.29Å; W335-R426 WeakPolarHBondContact CB-O 3.4Å; W335-R426 PolarHBondContact N-O 3.47Å; S422-R426 PolarHBondContact O-NE 2.88Å; S422-R426 PolarHBondContact O-NH2 2.96Å
427	P	93.1	Very high	83.4	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-66.1	155.7	-178.9	26.4	-35.1	0	0	0	112.8	C324 G325 L351 L421 Y557	C324-P427 CarbonylContact C-O 3.43Å; C324-P427 VanDerWaalsContact CA-O 3.29Å; C324-P427 WeakPolarHBondContact CA-O 3.37Å; C324-P427 HydrophobicContact CB-CB 4.43Å; C324-P427 HydrophobicContact CB-CG 4.09Å; C324-P427 WeakPolarHBondContact CB-O 3.35Å; G325-P427 PolarHBondContact N-O 3.42Å; L351-P427 CarbonylContact O-C 3.58Å; L351-P427 WeakPolarHBondContact O-CA 3.3Å; L351-P427 WeakPolarHBondContact O-CB 3.4Å; L421-P427 HydrophobicContact CD1-CG 4.25Å; P427-Y557 HydrophobicContact CB-CD2 4.15Å; P427-Y557 HydrophobicContact CG-CD2 3.64Å; P427-Y557 HydrophobicContact CG-CE2 3.76Å; P427-Y557 HydrophobicContact CG-CG 4.05Å
428	V	93.9	Very high	82.3	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-76.8	153.2	163.7	74	0	0	0	0	109.1	W335 A350 L351 V352 L430 L514 L523	W335-V428 HydrophobicContact CB-CB 4.05Å; W335-V428 HydrophobicContact CD2-CB 3.69Å; W335-V428 HydrophobicContact CD2-CG2 3.97Å; W335-V428 HydrophobicContact CE3-CB 4.24Å; W335-V428 HydrophobicContact CG-CB 3.6Å; W335-V428 HydrophobicContact CG-CG2 4.23Å; W335-V428 HydrophobicContact CZ2-CG2 4.11Å; A350-V428 HydrophobicContact CB-CG1 3.8Å; L351-V428 PolarHBondContact O-N 3.42Å; V352-V428 HydrophobicContact CG1-CG1 4.19Å; V428-L430 HydrophobicContact CG1-CD2 4.09Å; V428-L514 HydrophobicContact CG2-CD2 3.97Å; V428-L523 HydrophobicContact CG1-CB 3.84Å; V428-L523 HydrophobicContact CG1-CD2 4.44Å; V428-L523 HydrophobicContact CG2-CB 3.99Å
429	C	91.8	Very high	81	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-78.9	144.6	169	-56.4	0	0	0	0	109.9	C324 G325 T520 W521 F522 L523 E559	C324-C429 HydrophobicContact CB-CB 4.06Å; C324-C429 WeakPolarHBondContact CB-SG 3.35Å; C324-C429 WeakPolarHBondContact SG-CA 3.41Å; C324-C429 WeakPolarHBondContact SG-CB 3.29Å; C324-C429 CovalentContact SG-SG 2.03Å; C324-C429 PolarHBondContact SG-SG 3.35Å; G325-C429 VanDerWaalsContact CA-SG 3.6Å; G325-C429 PolarHBondContact N-SG 3.05Å; G325-C429 VanDerWaalsContact N-SG 3.37Å; C429-T520 HydrophobicContact CB-CG2 4.33Å; C429-T520 WeakPolarHBondContact SG-CG2 3.02Å; C429-W521 PolarHBondContact N-O 2.73Å; C429-F522 HydrophobicContact CB-CD1 3.87Å; C429-F522 HydrophobicContact CB-CE1 4.04Å; C429-F522 HydrophobicContact CB-CG 4.17Å; C429-F522 HydrophobicContact CB-CZ 4.46Å; C429-F522 CarbonylContact O-C 3.56Å; C429-F522 VanDerWaalsContact O-CA 3.31Å; C429-F522 WeakPolarHBondContact O-CA 3.37Å; C429-L523 PolarHBondContact O-N 3.42Å; C429-E559 HydrophobicContact CB-CB 4.35Å; C429-E559 HydrophobicContact CB-CG 3.77Å
430	L	91	Very high	79.8	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	135.7	170.2	-59.9	-173.9	0	0	0	109.1	V352 V428 H432 L523 V542 I549 A556 Y557 L558 E559	V352-L430 HydrophobicContact CB-CD1 4.13Å; V352-L430 HydrophobicContact CB-CG 4.47Å; V352-L430 HydrophobicContact CG1-CD1 3.97Å; V352-L430 HydrophobicContact CG1-CD2 3.89Å; V352-L430 HydrophobicContact CG1-CG 4.15Å; V428-L430 HydrophobicContact CG1-CD2 4.09Å; L430-H432 PolarHBondContact O-N 3.18Å; L430-L523 HydrophobicContact CD2-CB 3.86Å; L430-L523 HydrophobicContact CD2-CD2 3.95Å; L430-V542 HydrophobicContact CD2-CG1 4.27Å; L430-I549 HydrophobicContact CD1-CD1 4.13Å; L430-I549 HydrophobicContact CD1-CG2 3.62Å; L430-A556 HydrophobicContact CD1-CB 4.17Å; L430-Y557 PolarHBondContact N-O 3.48Å; L430-L558 HydrophobicContact CB-CD1 4.32Å; L430-L558 HydrophobicContact CB-CG 4.18Å; L430-L558 HydrophobicContact CD1-CD1 4.09Å; L430-L558 WeakPolarHBondContact O-CA 3.4Å; L430-E559 PolarHBondContact O-N 2.91Å
431	P	85.6	Confident	79.2	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	131.6	173.8	27.5	-32.9	0	0	0	110.3	H435 F437 F522 L523 V542 Q543	P431-H435 HydrophobicContact CB-CB 3.74Å; P431-F437 HydrophobicContact CB-CE2 4.04Å; P431-F437 HydrophobicContact CB-CZ 3.91Å; P431-F437 HydrophobicContact CG-CE2 4.15Å; P431-F437 HydrophobicContact CG-CZ 4.15Å; P431-F522 HydrophobicContact CB-CD1 4.35Å; P431-L523 VanDerWaalsContact CD-O 3.29Å; P431-L523 WeakPolarHBondContact CD-O 3.35Å; P431-V542 HydrophobicContact CG-CB 4.48Å; P431-Q543 HydrophobicContact CB-CB 4.03Å; P431-Q543 HydrophobicContact CG-CB 3.94Å; P431-Q543 WeakPolarHBondContact O-CB 3.46Å
432	H	76.5	Confident	79.2	Confident	25 Å²	25	35.3 Å²	35.3	12%	0.116	20%	0.201	C	C	.	.			trans	-59.5	156.2	167.6	-156.3	-110.4	0	0	0	110.7	E183 L430 E434 H435 Q543 E559	E183-H432 IonicContact OE2-CE1 3.89Å; L430-H432 PolarHBondContact O-N 3.18Å; H432-E434 PolarHBondContact O-N 3.07Å; H432-E434 VanDerWaalsContact O-N 3.15Å; H432-H435 HydrophobicContact CB-CB 4.38Å; H432-H435 WeakPolarHBondContact O-CB 3.04Å; H432-H435 PolarHBondContact O-N 3.15Å; H432-Q543 VanDerWaalsContact O-CB 3.24Å; H432-Q543 WeakPolarHBondContact O-CB 3.32Å; H432-E559 PolarHBondContact N-O 3.32Å
433	P	73.4	Confident	79.3	Confident	32 Å²	32	32.5 Å²	32.5	21%	0.208	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.3	-43.4	175.5	-35	39.9	0	0	0	114.8	H435 P488 P547	P433-H435 VanDerWaalsContact C-N 3.25Å; P433-H435 PolarHBondContact O-N 3.19Å; P433-P488 WeakPolarHBondContact O-CB 3.32Å; P433-P547 HydrophobicContact CG-CG 4.24Å
434	E	67.2	Low	79.6	Confident	89 Å²	89	31.2 Å²	31.2	42%	0.416	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-4.4	177.7	-57.5	-73.7	113	0	0	114.7	H432 Y436	H432-E434 PolarHBondContact O-N 3.07Å; H432-E434 VanDerWaalsContact O-N 3.15Å; E434-Y436 PolarHBondContact O-N 2.87Å
435	H	74.9	Confident	79.6	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.154	C	C	.	.			trans	-81	108.4	-172.1	-173.3	121	0	0	0	110.5	P431 H432 P433 F437 E517 F522 Q543 E559 D560 Q561	P431-H435 HydrophobicContact CB-CB 3.74Å; H432-H435 HydrophobicContact CB-CB 4.38Å; H432-H435 WeakPolarHBondContact O-CB 3.04Å; H432-H435 PolarHBondContact O-N 3.15Å; P433-H435 VanDerWaalsContact C-N 3.25Å; P433-H435 PolarHBondContact O-N 3.19Å; H435-F437 AromaticContact CD2-CE1 3.79Å; H435-F437 AromaticContact CD2-CE2 3.91Å; H435-F437 AromaticContact CD2-CZ 3.71Å; H435-E517 IonicContact NE2-OE2 3.09Å; H435-F522 AromaticContact CE1-CE1 3.63Å; H435-F522 AromaticContact ND1-CE1 3.69Å; H435-F522 AromaticContact NE2-CD1 3.62Å; H435-F522 AromaticContact NE2-CD2 3.89Å; H435-F522 AromaticContact NE2-CE1 2.89Å; H435-F522 WeakPolarHBondContact NE2-CE1 3.26Å; H435-F522 AromaticContact NE2-CE2 3.24Å; H435-F522 WeakPolarHBondContact NE2-CE2 3.34Å; H435-F522 AromaticContact NE2-CZ 2.67Å; H435-F522 WeakPolarHBondContact NE2-CZ 3.05Å; H435-Q543 PolarHBondContact O-NE2 2.8Å; H435-E559 PolarHBondContact CE1-O 3.33Å; H435-D560 VanDerWaalsContact CE1-CA 3.46Å; H435-D560 WeakPolarHBondContact CE1-CA 3.36Å; H435-D560 PolarHBondContact CE1-O 3.43Å; H435-Q561 WeakPolarHBondContact CE1-CA 3.09Å; H435-Q561 PolarHBondContact CE1-N 3.27Å
436	Y	72.8	Confident	79.4	Confident	35 Å²	35	30.8 Å²	30.8	14%	0.137	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-97.7	132.8	171.6	-174.1	-80.9	0	0	0	110.4	E434 G468 Q561 W564	E434-Y436 PolarHBondContact O-N 2.87Å; Y436-G468 PolarHBondContact OH-N 3.01Å; Y436-Q561 PolarHBondContact O-NE2 2.92Å; Y436-W564 AromaticContact CD1-CH2 3.58Å; Y436-W564 HydrophobicContact CD1-CH2 3.58Å; Y436-W564 AromaticContact CD1-CZ2 3.81Å; Y436-W564 HydrophobicContact CD1-CZ2 3.81Å; Y436-W564 HydrophobicContact CE1-CH2 4.13Å; Y436-W564 HydrophobicContact CG-CH2 4.47Å; Y436-W564 WeakPolarHBondContact O-CZ2 3.18Å
437	F	74.1	Confident	79.1	Confident	8 Å²	8	29.5 Å²	29.5	4%	0.035	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-90.4	131	175	-67	-78.2	0	0	0	110.6	P431 H435 L465 L492 C515 E517 F522 A524	P431-F437 HydrophobicContact CB-CE2 4.04Å; P431-F437 HydrophobicContact CB-CZ 3.91Å; P431-F437 HydrophobicContact CG-CE2 4.15Å; P431-F437 HydrophobicContact CG-CZ 4.15Å; H435-F437 AromaticContact CD2-CE1 3.79Å; H435-F437 AromaticContact CD2-CE2 3.91Å; H435-F437 AromaticContact CD2-CZ 3.71Å; F437-L465 HydrophobicContact CB-CD1 3.49Å; F437-L465 VanDerWaalsContact CB-CD1 3.49Å; F437-L465 HydrophobicContact CG-CD1 4.08Å; F437-L492 HydrophobicContact CD2-CD1 4.29Å; F437-L492 HydrophobicContact CD2-CD2 4.38Å; F437-L492 HydrophobicContact CE2-CD1 4.42Å; F437-C515 HydrophobicContact CD1-CB 4.01Å; F437-C515 HydrophobicContact CE1-CB 3.95Å; F437-E517 HydrophobicContact CD1-CG 4.29Å; F437-E517 WeakPolarHBondContact CD1-OE1 3.4Å; F437-F522 HydrophobicContact CE1-CB 3.8Å; F437-F522 HydrophobicContact CE1-CD2 4.31Å; F437-F522 AromaticContact CE1-CG 3.99Å; F437-F522 HydrophobicContact CE1-CG 3.99Å; F437-F522 HydrophobicContact CZ-CB 3.72Å; F437-F522 HydrophobicContact CZ-CD1 4.45Å; F437-F522 HydrophobicContact CZ-CG 4.16Å; F437-A524 HydrophobicContact CD2-CB 4.1Å; F437-A524 HydrophobicContact CE1-CB 4.19Å; F437-A524 HydrophobicContact CE2-CB 3.44Å; F437-A524 VanDerWaalsContact CE2-CB 3.44Å; F437-A524 HydrophobicContact CZ-CB 3.49Å; F437-A524 VanDerWaalsContact CZ-CB 3.49Å
438	L	64.2	Low	78.7	Confident	73 Å²	73	29.7 Å²	29.7	38%	0.382	15%	0.153	S	C	.	.	P	Polyproline II helix	trans	-61.6	149.5	-177.7	-79.5	168.4	0	0	0	113.5	G440 S441 W564	L438-G440 PolarHBondContact O-N 3.46Å; L438-S441 PolarHBondContact N-OG 3.05Å; L438-S441 VanDerWaalsContact O-CB 3.25Å; L438-S441 WeakPolarHBondContact O-CB 3.46Å; L438-S441 PolarHBondContact O-N 3.36Å; L438-S441 PolarHBondContact O-OG 3.33Å; L438-W564 HydrophobicContact CB-CZ2 4.49Å; L438-W564 HydrophobicContact CD1-CZ2 4.34Å; L438-W564 HydrophobicContact CD2-CD2 4.32Å; L438-W564 HydrophobicContact CD2-CE3 4.15Å; L438-W564 HydrophobicContact CD2-CH2 3.3Å; L438-W564 HydrophobicContact CD2-CZ2 3.42Å; L438-W564 VanDerWaalsContact CD2-CZ2 3.42Å; L438-W564 HydrophobicContact CD2-CZ3 3.65Å; L438-W564 HydrophobicContact CG-CD2 4.47Å; L438-W564 HydrophobicContact CG-CH2 3.89Å; L438-W564 HydrophobicContact CG-CZ2 3.42Å; L438-W564 VanDerWaalsContact CG-CZ2 3.42Å
439	P	60	Low	78.3	Confident	77 Å²	77	29.7 Å²	29.7	50%	0.5	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	131.7	161.7	-14.7	28.5	0	0	0	109.2	S441 L465	P439-S441 VanDerWaalsContact C-N 3.35Å; P439-L465 WeakPolarHBondContact CA-O 3.14Å
440	G	63	Low	77.8	Confident	37 Å²	37	34.6 Å²	34.6	38%	0.381	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	-5.2	-172.8	0	0	0	0	0	115.2	L438 R442 L465	L438-G440 PolarHBondContact O-N 3.46Å; G440-R442 PolarHBondContact O-N 2.84Å; G440-L465 PolarHBondContact N-O 2.91Å
441	S	74.1	Confident	76.3	Confident	14 Å²	14	36.2 Å²	36.2	10%	0.098	19%	0.188	C	C	.	.			trans	-58.1	129.1	174.2	-84.7	0	0	0	0	110.5	L438 P439 C443 L465 E517	L438-S441 PolarHBondContact N-OG 3.05Å; L438-S441 VanDerWaalsContact O-CB 3.25Å; L438-S441 WeakPolarHBondContact O-CB 3.46Å; L438-S441 PolarHBondContact O-N 3.36Å; L438-S441 PolarHBondContact O-OG 3.33Å; P439-S441 VanDerWaalsContact C-N 3.35Å; S441-C443 PolarHBondContact O-SG 2.94Å; S441-C443 VanDerWaalsContact O-SG 3.41Å; S441-L465 PolarHBondContact O-N 2.92Å; S441-E517 PolarHBondContact OG-OE1 2.85Å
442	R	84.1	Confident	75.1	Confident	130 Å²	130	37.5 Å²	37.5	49%	0.491	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	125.6	-172.8	-69.3	178	179.8	-116.8	0.2	110.7	G440 E462 C515 Q516	G440-R442 PolarHBondContact O-N 2.84Å; R442-E462 WeakPolarHBondContact CD-OE1 3.37Å; R442-E462 IonicContact CZ-OE1 2.7Å; R442-E462 IonicContact NE-OE1 3.33Å; R442-E462 IonicContact NH1-OE1 2.68Å; R442-E462 PolarHBondContact NH1-OE1 3.27Å; R442-C515 CarbonylContact O-C 3.53Å; R442-C515 WeakPolarHBondContact O-CA 3.27Å; R442-Q516 PolarHBondContact O-N 2.86Å
443	C	86.5	Confident	74	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	157	-178.1	-49.7	0	0	0	0	112.4	S441 A463 L465 L513 L514 C515	S441-C443 PolarHBondContact O-SG 2.94Å; S441-C443 VanDerWaalsContact O-SG 3.41Å; C443-A463 PolarHBondContact N-O 3.41Å; C443-A463 PolarHBondContact O-N 2.89Å; C443-L465 VanDerWaalsContact SG-CG 3.6Å; C443-L513 HydrophobicContact CB-CD1 3.61Å; C443-L513 HydrophobicContact CB-CD2 4.48Å; C443-L513 HydrophobicContact CB-CG 4.01Å; C443-L514 CarbonylContact C-O 3.25Å; C443-L514 WeakPolarHBondContact CA-O 3.3Å; C443-L514 VanDerWaalsContact CB-O 3.28Å; C443-L514 WeakPolarHBondContact CB-O 3.4Å; C443-C515 HydrophobicContact CB-CB 4.08Å; C443-C515 WeakPolarHBondContact CB-SG 3.23Å; C443-C515 WeakPolarHBondContact SG-CB 2.86Å; C443-C515 CovalentContact SG-SG 2.04Å; C443-C515 PolarHBondContact SG-SG 3.34Å
444	R	85.9	Confident	73.1	Confident	45 Å²	45	43.1 Å²	43.1	17%	0.17	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	153	-178.9	-68.2	-177.6	177.5	-120.8	10.7	110.2	W333 L460 L461 E462 L514 W521	W333-R444 HydrophobicContact CZ2-CB 4.33Å; R444-L460 PolarHBondContact NH1-O 2.95Å; R444-L461 WeakPolarHBondContact CA-O 3.31Å; R444-E462 HydrophobicContact CG-CB 4.44Å; R444-E462 IonicContact CZ-OE2 3.61Å; R444-E462 IonicContact NE-OE2 3.89Å; R444-E462 PolarHBondContact NE-OE2 2.85Å; R444-E462 IonicContact NH2-OE2 2.8Å; R444-E462 PolarHBondContact NH2-OE2 3.15Å; R444-L514 PolarHBondContact N-O 2.03Å; R444-L514 PolarHBondContact O-N 2.87Å; R444-W521 HydrophobicContact CB-CH2 4.26Å; R444-W521 HydrophobicContact CB-CZ3 4.13Å; R444-W521 HydrophobicContact CG-CH2 3.88Å; R444-W521 HydrophobicContact CG-CZ3 4.19Å
445	L	82.6	Confident	72.5	Confident	6 Å²	6	41.4 Å²	41.4	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	143.8	178.7	-59	-173.1	0	0	0	112.6	L461 Y496 W511 L513 F539	L445-L461 HydrophobicContact CD1-CD1 4.28Å; L445-Y496 HydrophobicContact CD1-CE1 4.08Å; L445-Y496 HydrophobicContact CD2-CE1 4.33Å; L445-Y496 HydrophobicContact CG-CE1 4.14Å; L445-W511 HydrophobicContact CB-CD2 4.43Å; L445-W511 HydrophobicContact CB-CE3 3.85Å; L445-L513 HydrophobicContact CD2-CD1 4.02Å; L445-F539 HydrophobicContact CD2-CE1 4.37Å; L445-F539 HydrophobicContact CD2-CE2 4.08Å; L445-F539 HydrophobicContact CD2-CZ 3.48Å; L445-F539 VanDerWaalsContact CD2-CZ 3.48Å
446	A	82.9	Confident	71.3	Confident	8 Å²	8	43.1 Å²	43.1	7%	0.066	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	149.9	172.6	0	0	0	0	0	112.1	W448 W511 S512 L514	A446-W448 PolarHBondContact O-N 3.25Å; A446-W511 VanDerWaalsContact C-CE3 3.44Å; A446-S512 PolarHBondContact N-O 2.98Å; A446-S512 PolarHBondContact O-N 2.74Å; A446-S512 PolarHBondContact O-OG 2.86Å; A446-L514 HydrophobicContact CB-CD1 3.55Å; A446-L514 HydrophobicContact CB-CG 3.82Å
447	R	82.6	Confident	70	Confident	37 Å²	37	47.5 Å²	47.5	14%	0.14	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	127	-172.8	-64.1	165.1	77.2	-120.3	-6.9	110	E336 H348 E452 P453 W511	E336-R447 IonicContact OE1-CZ 3.63Å; E336-R447 IonicContact OE1-NH1 3.59Å; E336-R447 PolarHBondContact OE1-NH1 3.39Å; H348-R447 HydrophobicContact CB-CB 4.27Å; H348-R447 WeakPolarHBondContact CB-O 3.33Å; H348-R447 PolarHBondContact CD2-NH1 2.8Å; H348-R447 PolarHBondContact CE1-NH2 2.9Å; H348-R447 VanDerWaalsContact CE1-NH2 3.31Å; H348-R447 VanDerWaalsContact NE2-CZ 3.32Å; H348-R447 PolarHBondContact NE2-NH1 3.45Å; H348-R447 PolarHBondContact NE2-NH2 3.48Å; R447-E452 HydrophobicContact CG-CB 4.38Å; R447-E452 PolarHBondContact NH2-O 2.87Å; R447-P453 PolarHBondContact NE-O 3.21Å; R447-W511 HydrophobicContact CB-CZ3 4.4Å; R447-W511 HydrophobicContact CG-CH2 3.94Å; R447-W511 HydrophobicContact CG-CZ3 3.76Å
448	W	86.6	Confident	68.6	Low	3 Å²	3	51 Å²	51	1%	0.011	32%	0.322	C	S	.	.			trans	-125.6	161.7	176.5	-161.3	-113.7	0	0	0	108.5	L358 P360 L410 A446 H510 L523 I526	L358-W448 HydrophobicContact CD2-CH2 4.3Å; L358-W448 HydrophobicContact CG-CH2 4.16Å; P360-W448 HydrophobicContact CG-CD2 4.41Å; P360-W448 HydrophobicContact CG-CG 4.28Å; L410-W448 HydrophobicContact CD2-CH2 4.42Å; L410-W448 HydrophobicContact CD2-CZ2 3.82Å; A446-W448 PolarHBondContact O-N 3.25Å; W448-H510 HydrophobicContact CB-CB 4.37Å; W448-H510 PolarHBondContact N-O 3.46Å; W448-L523 HydrophobicContact CH2-CD2 4.34Å; W448-L523 HydrophobicContact CZ3-CD2 4.27Å; W448-I526 HydrophobicContact CD2-CG2 4.4Å; W448-I526 HydrophobicContact CH2-CG2 4.05Å; W448-I526 HydrophobicContact CZ2-CB 4.47Å; W448-I526 HydrophobicContact CZ2-CG2 3.63Å
449	G	84.1	Confident	68	Low	1 Å²	1	48.7 Å²	48.7	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	61	-153.5	170.2	0	0	0	0	0	115.7	C347 H348	C347-G449 CarbonylContact C-O 3.53Å; C347-G449 WeakPolarHBondContact CA-O 3.4Å; H348-G449 PolarHBondContact N-O 3Å; H348-G449 PolarHBondContact ND1-O 3.37Å; H348-G449 PolarHBondContact O-N 2.84Å
450	R	81.3	Confident	68	Low	103 Å²	103	46.7 Å²	46.7	39%	0.389	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.6	-165.6	-73.4	178.6	168	172.4	0.8	113.9	C363	C363-R450 VanDerWaalsContact C-NH2 3.35Å; C363-R450 PolarHBondContact O-NH2 3.08Å
451	G	59.6	Low	68	Low	35 Å²	35	45.4 Å²	45.4	36%	0.361	28%	0.283	S	S	.	.			trans	92.1	3.1	152.7	0	0	0	0	0	118.3	P346	P346-G451 PolarHBondContact O-N 2.85Å
452	E	60.4	Low	68	Low	28 Å²	28	46.6 Å²	46.6	13%	0.131	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-53.6	144.1	174.9	-72	-50.4	111.6	0	0	113.3	R447 S509 W511	R447-E452 HydrophobicContact CG-CB 4.38Å; R447-E452 PolarHBondContact NH2-O 2.87Å; E452-S509 WeakPolarHBondContact OE1-CA 3.42Å; E452-S509 VanDerWaalsContact OE1-CB 3.24Å; E452-S509 WeakPolarHBondContact OE1-CB 3.41Å; E452-W511 HydrophobicContact CG-CH2 4.35Å; E452-W511 HydrophobicContact CG-CZ2 4.03Å; E452-W511 VanDerWaalsContact OE2-CZ2 3.28Å; E452-W511 WeakPolarHBondContact OE2-CZ2 3.37Å
453	P	54.5	Low	67.4	Low	91 Å²	91	40.4 Å²	40.4	59%	0.591	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-67.9	168.5	162.1	31.4	-33.8	0	0	0	111	R447	R447-P453 PolarHBondContact NE-O 3.21Å
454	A	54.4	Low	66.7	Low	84 Å²	84	43.6 Å²	43.6	69%	0.694	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-80.1	127.8	168.9	0	0	0	0	0	109.7
455	L	54.1	Low	65.8	Low	53 Å²	53	41.9 Å²	41.9	28%	0.277	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-65.3	140.3	174.9	-69.4	173.6	0	0	0	110.9	A459 W506 W511	L455-A459 HydrophobicContact CB-CB 4.37Å; L455-A459 HydrophobicContact CD2-CB 4.24Å; L455-W506 HydrophobicContact CD1-CH2 3.73Å; L455-W506 HydrophobicContact CD1-CZ3 4.14Å; L455-W506 HydrophobicContact CD2-CH2 3.41Å; L455-W506 VanDerWaalsContact CD2-CH2 3.41Å; L455-W506 HydrophobicContact CD2-CZ2 3.72Å; L455-W506 HydrophobicContact CD2-CZ3 4.01Å; L455-W506 HydrophobicContact CG-CH2 4.22Å; L455-W511 HydrophobicContact CD1-CH2 3.72Å; L455-W511 HydrophobicContact CD1-CZ3 3.75Å; L455-W511 HydrophobicContact CD2-CH2 4.39Å; L455-W511 HydrophobicContact CG-CH2 4.02Å; L455-W511 HydrophobicContact CG-CZ3 4.48Å
456	G	49.9	Very low	64.7	Low	38 Å²	38	44.7 Å²	44.7	39%	0.392	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-66.1	154.8	173.4	0	0	0	0	0	111.4	G458 A459	G456-G458 PolarHBondContact O-N 2.82Å; G456-A459 PolarHBondContact O-N 3.25Å
457	P	45.2	Very low	63.4	Low	127 Å²	127	44.9 Å²	44.9	83%	0.825	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-15.4	-177.2	-27.2	35.8	0	0	0	116.2
458	G	45.2	Very low	62	Low	80 Å²	80	43.9 Å²	43.9	83%	0.825	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	8	175.1	0	0	0	0	0	115.3	G456	G456-G458 PolarHBondContact O-N 2.82Å
459	A	51.3	Low	60.4	Low	25 Å²	25	47 Å²	47	21%	0.207	30%	0.303	C	S	.	.			trans	-107.7	22.9	-178.8	0	0	0	0	0	112.8	L455 G456 L461	L455-A459 HydrophobicContact CB-CB 4.37Å; L455-A459 HydrophobicContact CD2-CB 4.24Å; G456-A459 PolarHBondContact O-N 3.25Å; A459-L461 PolarHBondContact O-N 3Å
460	L	59.6	Low	58.8	Low	36 Å²	36	49.7 Å²	49.7	19%	0.188	31%	0.313	C	S	.	.			trans	-90	77.6	-179.4	-69.7	161.6	0	0	0	110.2	G331 R444 E462	G331-L460 VanDerWaalsContact CA-CD2 3.49Å; R444-L460 PolarHBondContact NH1-O 2.95Å; L460-E462 PolarHBondContact O-N 2.8Å; L460-E462 VanDerWaalsContact O-N 3.09Å
461	L	64	Low	57.5	Low	9 Å²	9	45 Å²	45	5%	0.047	30%	0.295	C	S	.	.			trans	-43	112.1	173.8	-79	156.5	0	0	0	111.5	R444 L445 A459 Y496 E499 W506	R444-L461 WeakPolarHBondContact CA-O 3.31Å; L445-L461 HydrophobicContact CD1-CD1 4.28Å; A459-L461 PolarHBondContact O-N 3Å; L461-Y496 HydrophobicContact CB-CD1 3.97Å; L461-Y496 HydrophobicContact CB-CE1 4.26Å; L461-Y496 HydrophobicContact CD2-CD1 4.15Å; L461-E499 HydrophobicContact CD2-CB 4.29Å; L461-E499 HydrophobicContact CD2-CG 4.3Å; L461-W506 HydrophobicContact CD1-CH2 3.85Å; L461-W506 HydrophobicContact CD1-CZ2 3.97Å
462	E	73.6	Confident	57.2	Low	40 Å²	40	44.8 Å²	44.8	19%	0.187	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	139.2	169.6	-171.9	160.4	166.4	0	0	109.3	R442 R444 L460 Q497	R442-E462 WeakPolarHBondContact CD-OE1 3.37Å; R442-E462 IonicContact CZ-OE1 2.7Å; R442-E462 IonicContact NE-OE1 3.33Å; R442-E462 IonicContact NH1-OE1 2.68Å; R442-E462 PolarHBondContact NH1-OE1 3.27Å; R444-E462 HydrophobicContact CG-CB 4.44Å; R444-E462 IonicContact CZ-OE2 3.61Å; R444-E462 IonicContact NE-OE2 3.89Å; R444-E462 PolarHBondContact NE-OE2 2.85Å; R444-E462 IonicContact NH2-OE2 2.8Å; R444-E462 PolarHBondContact NH2-OE2 3.15Å; L460-E462 PolarHBondContact O-N 2.8Å; L460-E462 VanDerWaalsContact O-N 3.09Å; E462-Q497 PolarHBondContact O-N 3.46Å
463	A	70.4	Confident	56.8	Low	0 Å²	0	44 Å²	44	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	158.1	-178.7	0	0	0	0	0	110.2	C443 P494 A495 Y496	C443-A463 PolarHBondContact N-O 3.41Å; C443-A463 PolarHBondContact O-N 2.89Å; A463-P494 HydrophobicContact CB-CB 3.67Å; A463-A495 CarbonylContact C-O 3.57Å; A463-A495 WeakPolarHBondContact CA-O 3.28Å; A463-A495 WeakPolarHBondContact CB-O 3.24Å; A463-Y496 HydrophobicContact CB-CD1 3.74Å; A463-Y496 HydrophobicContact CB-CE1 4.05Å; A463-Y496 HydrophobicContact CB-CG 4.23Å
464	E	73.5	Confident	56.6	Low	67 Å²	67	43.7 Å²	43.7	31%	0.313	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138.8	169.7	-75.1	169.6	154.8	0	0	108.5	L466 A495 Q497	E464-L466 PolarHBondContact O-N 3.11Å; E464-A495 PolarHBondContact N-O 2.82Å; E464-A495 PolarHBondContact O-N 3.21Å; E464-Q497 PolarHBondContact OE1-NE2 3.19Å; E464-Q497 PolarHBondContact OE2-NE2 2.03Å
465	L	66.6	Low	56.4	Low	8 Å²	8	45.3 Å²	45.3	4%	0.042	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	129.8	175.8	-85.7	169.2	0	0	0	111.1	F437 P439 G440 S441 C443 L492 L513	F437-L465 HydrophobicContact CB-CD1 3.49Å; F437-L465 VanDerWaalsContact CB-CD1 3.49Å; F437-L465 HydrophobicContact CG-CD1 4.08Å; P439-L465 WeakPolarHBondContact CA-O 3.14Å; G440-L465 PolarHBondContact N-O 2.91Å; S441-L465 PolarHBondContact O-N 2.92Å; C443-L465 VanDerWaalsContact SG-CG 3.6Å; L465-L492 HydrophobicContact CD2-CB 4.01Å; L465-L492 HydrophobicContact CD2-CD2 4.47Å; L465-L513 HydrophobicContact CD2-CD2 4.19Å
466	L	58.5	Low	56.1	Low	66 Å²	66	44.1 Å²	44.1	35%	0.346	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	140.5	160.9	-59.2	177.1	0	0	0	108.7	E464 W470 L474 C493 A495	E464-L466 PolarHBondContact O-N 3.11Å; L466-W470 HydrophobicContact CB-CB 4.22Å; L466-L474 HydrophobicContact CD1-CD1 3.8Å; L466-C493 HydrophobicContact CB-CB 4.2Å; L466-C493 WeakPolarHBondContact CB-O 3.45Å; L466-C493 HydrophobicContact CD1-CB 4.22Å; L466-C493 WeakPolarHBondContact CG-O 3.23Å; L466-C493 PolarHBondContact N-O 2.98Å; L466-A495 HydrophobicContact CD2-CB 3.92Å; L466-A495 HydrophobicContact CG-CB 4.11Å
467	G	56.5	Low	55.8	Low	12 Å²	12	52.5 Å²	52.5	12%	0.124	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-58.8	155.1	179.3	0	0	0	0	0	113.4	W469 W470 C471	G467-W469 VanDerWaalsContact C-N 3.27Å; G467-W469 PolarHBondContact O-N 3.07Å; G467-W470 WeakPolarHBondContact O-CB 3.46Å; G467-W470 PolarHBondContact O-N 3.12Å; G467-C471 PolarHBondContact O-N 2.94Å
468	G	52.5	Low	55.8	Low	15 Å²	15	52.4 Å²	52.4	16%	0.155	27%	0.274	C	S	.	.	H	α-helix	trans	-52.2	-41.7	-175.9	0	0	0	0	0	113.6	Y436 C471 H472	Y436-G468 PolarHBondContact OH-N 3.01Å; G468-C471 PolarHBondContact O-N 2.83Å; G468-H472 WeakPolarHBondContact O-CB 3.29Å; G468-H472 PolarHBondContact O-N 2.8Å
469	W	52.4	Low	55.7	Low	68 Å²	68	51.1 Å²	51.1	26%	0.258	26%	0.26	S	S	.	.	H	α-helix	trans	-55.9	-52.3	172.9	-178.3	85.1	0	0	0	112.5	G467 C471 H472 C473 V482 P579	G467-W469 VanDerWaalsContact C-N 3.27Å; G467-W469 PolarHBondContact O-N 3.07Å; W469-C471 PolarHBondContact O-N 2.71Å; W469-H472 PolarHBondContact O-N 2.67Å; W469-C473 VanDerWaalsContact O-CB 3.26Å; W469-C473 WeakPolarHBondContact O-CB 3.31Å; W469-C473 PolarHBondContact O-N 2.77Å; W469-C473 PolarHBondContact O-SG 2.8Å; W469-V482 HydrophobicContact CB-CG1 4.19Å; W469-V482 HydrophobicContact CG-CG1 4.43Å; W469-P579 HydrophobicContact CZ2-CG 4.35Å
470	W	51.8	Low	55.5	Low	59 Å²	59	51.2 Å²	51.2	22%	0.223	26%	0.261	C	S	.	.	H	α-helix	trans	-62.1	-42.2	177.6	-87.3	126.2	0	0	0	112.4	L466 G467 C473 L474 P690	L466-W470 HydrophobicContact CB-CB 4.22Å; G467-W470 WeakPolarHBondContact O-CB 3.46Å; G467-W470 PolarHBondContact O-N 3.12Å; W470-C473 CarbonylContact O-C 3.51Å; W470-C473 PolarHBondContact O-N 2.99Å; W470-L474 WeakPolarHBondContact O-CB 3.21Å; W470-L474 WeakPolarHBondContact O-CD1 3.02Å; W470-L474 VanDerWaalsContact O-CG 3.22Å; W470-L474 WeakPolarHBondContact O-CG 3.46Å; W470-L474 PolarHBondContact O-N 2.67Å; W470-P690 HydrophobicContact CH2-CB 3.97Å; W470-P690 HydrophobicContact CH2-CG 4.26Å; W470-P690 WeakPolarHBondContact CH2-O 3.18Å; W470-P690 HydrophobicContact CZ2-CB 4.35Å; W470-P690 HydrophobicContact CZ2-CG 4.49Å; W470-P690 WeakPolarHBondContact CZ2-O 3.46Å
471	C	54.3	Low	55.1	Low	3 Å²	3	52.5 Å²	52.5	2%	0.02	28%	0.277	C	S	.	.	H	α-helix	trans	-64.7	-45.3	-179.9	-169.2	0	0	0	0	111.6	G467 G468 W469 L474 Y475 A491 C493	G467-C471 PolarHBondContact O-N 2.94Å; G468-C471 PolarHBondContact O-N 2.83Å; W469-C471 PolarHBondContact O-N 2.71Å; C471-L474 PolarHBondContact O-N 2.66Å; C471-Y475 WeakPolarHBondContact O-CD2 3.38Å; C471-Y475 PolarHBondContact O-N 3.4Å; C471-A491 PolarHBondContact SG-O 3.08Å; C471-C493 WeakPolarHBondContact CA-SG 3.42Å; C471-C493 HydrophobicContact CB-CB 3.61Å; C471-C493 WeakPolarHBondContact CB-SG 3.24Å; C471-C493 WeakPolarHBondContact SG-CB 2.91Å; C471-C493 PolarHBondContact SG-N 2.95Å; C471-C493 CovalentContact SG-SG 2.03Å; C471-C493 PolarHBondContact SG-SG 2.89Å
472	H	52.7	Low	54.4	Low	31 Å²	31	52.8 Å²	52.8	14%	0.144	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-40.5	174.3	-161.6	115.1	0	0	0	111.4	G468 W469 L474 Y475 G476 V482 P483 H490 C578	G468-H472 WeakPolarHBondContact O-CB 3.29Å; G468-H472 PolarHBondContact O-N 2.8Å; W469-H472 PolarHBondContact O-N 2.67Å; H472-L474 PolarHBondContact O-N 2.7Å; H472-Y475 PolarHBondContact O-N 3.2Å; H472-G476 VanDerWaalsContact O-CA 3.23Å; H472-G476 WeakPolarHBondContact O-CA 3.2Å; H472-G476 PolarHBondContact O-N 2.95Å; H472-V482 HydrophobicContact CB-CG1 4.34Å; H472-P483 WeakPolarHBondContact ND1-CD 3.46Å; H472-H490 AromaticContact CE1-CD2 3.87Å; H472-C578 VanDerWaalsContact CD2-SG 3.55Å
473	C	51.2	Low	53.3	Low	12 Å²	12	52.6 Å²	52.6	8%	0.081	28%	0.282	C	S	.	.	H	α-helix	trans	-73	-6.9	176.9	-63	0	0	0	0	114.6	W469 W470 C578 P579 H581	W469-C473 VanDerWaalsContact O-CB 3.26Å; W469-C473 WeakPolarHBondContact O-CB 3.31Å; W469-C473 PolarHBondContact O-N 2.77Å; W469-C473 PolarHBondContact O-SG 2.8Å; W470-C473 CarbonylContact O-C 3.51Å; W470-C473 PolarHBondContact O-N 2.99Å; C473-C578 VanDerWaalsContact SG-SG 3.62Å; C473-P579 VanDerWaalsContact SG-CD 3.6Å; C473-H581 PolarHBondContact O-CE1 3.28Å; C473-H581 PolarHBondContact O-NE2 2.98Å
474	L	50.1	Low	52.4	Low	85 Å²	85	56.4 Å²	56.4	45%	0.445	30%	0.302	S	S	.	.	H	α-helix	trans	-97.8	-30.8	174.7	-77	168.4	0	0	0	113.1	L466 W470 C471 H472	L466-L474 HydrophobicContact CD1-CD1 3.8Å; W470-L474 WeakPolarHBondContact O-CB 3.21Å; W470-L474 WeakPolarHBondContact O-CD1 3.02Å; W470-L474 VanDerWaalsContact O-CG 3.22Å; W470-L474 WeakPolarHBondContact O-CG 3.46Å; W470-L474 PolarHBondContact O-N 2.67Å; C471-L474 PolarHBondContact O-N 2.66Å; H472-L474 PolarHBondContact O-N 2.7Å
475	Y	52	Low	50.9	Low	117 Å²	117	56.2 Å²	56.2	46%	0.459	31%	0.306	S	S	.	.	H	α-helix	trans	-125.7	-5.7	-173.4	-60.5	-79.6	0	0	0	115.1	C471 H472 C493 R537 A538	C471-Y475 WeakPolarHBondContact O-CD2 3.38Å; C471-Y475 PolarHBondContact O-N 3.4Å; H472-Y475 PolarHBondContact O-N 3.2Å; Y475-C493 WeakPolarHBondContact CD2-SG 3.38Å; Y475-C493 WeakPolarHBondContact CE2-SG 3.42Å; Y475-R537 WeakPolarHBondContact OH-CB 2.98Å; Y475-R537 PolarHBondContact OH-O 2.74Å; Y475-R537 VanDerWaalsContact OH-O 3.12Å; Y475-A538 HydrophobicContact CD1-CB 4.4Å; Y475-A538 HydrophobicContact CD2-CB 4.18Å; Y475-A538 HydrophobicContact CE1-CB 4.16Å; Y475-A538 HydrophobicContact CE2-CB 3.93Å; Y475-A538 HydrophobicContact CG-CB 4.41Å
476	G	47.9	Very low	50	Low	29 Å²	29	57 Å²	57	30%	0.299	32%	0.317	S	S	.	.	S	Bend	trans	-78.8	-157.9	179.7	0	0	0	0	0	113.9	H472	H472-G476 VanDerWaalsContact O-CA 3.23Å; H472-G476 WeakPolarHBondContact O-CA 3.2Å; H472-G476 PolarHBondContact O-N 2.95Å
477	R	43	Very low	49.8	Very low	214 Å²	214	57.4 Å²	57.4	81%	0.808	32%	0.319	S	S	*	.			trans	-110.3	143.4	177.1	-65	-176	-177.8	177.7	3.6	110.4	G479 A480	R477-G479 PolarHBondContact O-N 2.93Å; R477-A480 VanDerWaalsContact O-CB 3.24Å; R477-A480 WeakPolarHBondContact O-CB 3.11Å; R477-A480 PolarHBondContact O-N 2.95Å
478	Q	44.1	Very low	49.8	Very low	124 Å²	124	58.9 Å²	58.9	58%	0.579	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	125.2	175.9	-179	174.9	3.2	0	0	111.7	A480 H581	Q478-A480 VanDerWaalsContact C-N 3.29Å; Q478-A480 PolarHBondContact O-N 3.37Å; Q478-H581 HydrophobicContact CB-CB 4.39Å
479	G	44.5	Very low	50.3	Low	53 Å²	53	58.8 Å²	58.8	55%	0.546	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	73	13.5	-178.7	0	0	0	0	0	115.1	R477	R477-G479 PolarHBondContact O-N 2.93Å
480	A	46.2	Very low	51.1	Low	27 Å²	27	61.7 Å²	61.7	22%	0.223	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-62.3	146.4	164	0	0	0	0	0	110.3	R477 Q478 T577 C578	R477-A480 VanDerWaalsContact O-CB 3.24Å; R477-A480 WeakPolarHBondContact O-CB 3.11Å; R477-A480 PolarHBondContact O-N 2.95Å; Q478-A480 VanDerWaalsContact C-N 3.29Å; Q478-A480 PolarHBondContact O-N 3.37Å; A480-T577 WeakPolarHBondContact O-CA 3.26Å; A480-C578 PolarHBondContact O-N 3.19Å
481	A	50.8	Low	52.1	Low	64 Å²	64	59.9 Å²	59.9	53%	0.529	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-72.3	135.4	160.8	0	0	0	0	0	108.2
482	V	49.9	Very low	53.2	Low	14 Å²	14	60.1 Å²	60.1	9%	0.085	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-78.8	139.9	172.8	179.2	0	0	0	0	107.9	W469 H472 Q576	W469-V482 HydrophobicContact CB-CG1 4.19Å; W469-V482 HydrophobicContact CG-CG1 4.43Å; H472-V482 HydrophobicContact CB-CG1 4.34Å; V482-Q576 PolarHBondContact N-O 3.18Å
483	P	50.3	Low	54	Low	37 Å²	37	58.7 Å²	58.7	24%	0.24	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-55	147.4	172.3	-23.2	33.1	0	0	0	111.7	H472 D487	H472-P483 WeakPolarHBondContact ND1-CD 3.46Å; P483-D487 HydrophobicContact CB-CB 3.48Å; P483-D487 VanDerWaalsContact CB-CB 3.48Å
484	L	50.7	Low	55	Low	79 Å²	79	58.4 Å²	58.4	41%	0.414	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-72.1	158.9	-177.1	-71.3	171.8	0	0	0	111.3	G486 D487	L484-G486 PolarHBondContact O-N 3.24Å; L484-D487 PolarHBondContact N-OD2 2.99Å; L484-D487 WeakPolarHBondContact O-CB 3.41Å; L484-D487 PolarHBondContact O-N 3Å
485	P	44	Very low	55.7	Low	64 Å²	64	56.3 Å²	56.3	42%	0.416	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	114.1	170.5	-21.8	33	0	0	0	110.5	W566 E572	P485-W566 HydrophobicContact CB-CZ3 3.92Å; P485-E572 HydrophobicContact CG-CB 4.3Å
486	G	47.3	Very low	56.3	Low	25 Å²	25	53 Å²	53	26%	0.258	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	118.6	-30.8	-172.8	0	0	0	0	0	113.8	L484	L484-G486 PolarHBondContact O-N 3.24Å
487	D	53.7	Low	56.7	Low	74 Å²	74	56.1 Å²	56.1	40%	0.396	32%	0.318	S	S	.	.	S	Bend	trans	-66.2	138.8	175.1	-74.7	-36.8	0	0	0	111	P483 L484	P483-D487 HydrophobicContact CB-CB 3.48Å; P483-D487 VanDerWaalsContact CB-CB 3.48Å; L484-D487 PolarHBondContact N-OD2 2.99Å; L484-D487 WeakPolarHBondContact O-CB 3.41Å; L484-D487 PolarHBondContact O-N 3Å
488	P	56.2	Low	57.3	Low	42 Å²	42	53.8 Å²	53.8	27%	0.273	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-63.4	124.3	173.9	21.9	-30.4	0	0	0	111	P433 Q543	P433-P488 WeakPolarHBondContact O-CB 3.32Å; P488-Q543 HydrophobicContact CB-CG 4.27Å
489	P	63	Low	57.4	Low	13 Å²	13	50.9 Å²	50.9	8%	0.084	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-69	140.6	-176.3	29.5	-35.8	0	0	0	110.4	A491 L492 P541	P489-A491 PolarHBondContact O-N 2.93Å; P489-L492 HydrophobicContact CG-CD2 3.76Å; P489-P541 WeakPolarHBondContact O-CG 3.08Å
490	H	69.5	Low	57.3	Low	129 Å²	129	57.9 Å²	57.9	60%	0.597	32%	0.321	S	S	*	.	S	Bend	trans	-71	-11.1	179.3	-57.1	-37.5	0	0	0	114.7	H472	H472-H490 AromaticContact CE1-CD2 3.87Å
491	A	72.4	Confident	57	Low	22 Å²	22	66.2 Å²	66.2	18%	0.182	36%	0.356	C	S	.	.			trans	-152.4	154.4	177.6	0	0	0	0	0	110.1	C471 P489 F539	C471-A491 PolarHBondContact SG-O 3.08Å; P489-A491 PolarHBondContact O-N 2.93Å; A491-F539 CarbonylContact C-O 3.39Å; A491-F539 WeakPolarHBondContact CA-O 3.48Å
492	L	77.1	Confident	56.6	Low	7 Å²	7	64.8 Å²	64.8	4%	0.037	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-116.3	126.9	172.7	-64.2	178.8	0	0	0	110.1	F437 L465 P489 P494 L513 A524 A538 F539 P541	F437-L492 HydrophobicContact CD2-CD1 4.29Å; F437-L492 HydrophobicContact CD2-CD2 4.38Å; F437-L492 HydrophobicContact CE2-CD1 4.42Å; L465-L492 HydrophobicContact CD2-CB 4.01Å; L465-L492 HydrophobicContact CD2-CD2 4.47Å; P489-L492 HydrophobicContact CG-CD2 3.76Å; L492-P494 WeakPolarHBondContact O-CD 3.15Å; L492-L513 HydrophobicContact CB-CD2 4.19Å; L492-A524 HydrophobicContact CD1-CB 3.82Å; L492-A524 WeakPolarHBondContact CD1-O 3.49Å; L492-A538 CarbonylContact O-C 3.57Å; L492-A538 WeakPolarHBondContact O-CA 2.97Å; L492-F539 HydrophobicContact CB-CB 4.41Å; L492-F539 PolarHBondContact N-O 3.42Å; L492-F539 PolarHBondContact O-N 3.23Å; L492-P541 HydrophobicContact CD1-CB 4.17Å; L492-P541 HydrophobicContact CG-CB 4.19Å; L492-P541 HydrophobicContact CG-CG 4.39Å
493	C	69.7	Low	56.2	Low	1 Å²	1	68.1 Å²	68.1	1%	0.007	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	91.1	-169.3	-65.4	0	0	0	0	112.2	L466 C471 Y475	L466-C493 HydrophobicContact CB-CB 4.2Å; L466-C493 WeakPolarHBondContact CB-O 3.45Å; L466-C493 HydrophobicContact CD1-CB 4.22Å; L466-C493 WeakPolarHBondContact CG-O 3.23Å; L466-C493 PolarHBondContact N-O 2.98Å; C471-C493 WeakPolarHBondContact CA-SG 3.42Å; C471-C493 HydrophobicContact CB-CB 3.61Å; C471-C493 WeakPolarHBondContact CB-SG 3.24Å; C471-C493 WeakPolarHBondContact SG-CB 2.91Å; C471-C493 PolarHBondContact SG-N 2.95Å; C471-C493 CovalentContact SG-SG 2.03Å; C471-C493 PolarHBondContact SG-SG 2.89Å; Y475-C493 WeakPolarHBondContact CD2-SG 3.38Å; Y475-C493 WeakPolarHBondContact CE2-SG 3.42Å
494	P	71.9	Confident	56.2	Low	6 Å²	6	73.7 Å²	73.7	4%	0.039	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	130.8	177.4	28.3	-32.5	0	0	0	112.6	A463 L492 Y496 L513 F539	A463-P494 HydrophobicContact CB-CB 3.67Å; L492-P494 WeakPolarHBondContact O-CD 3.15Å; P494-Y496 HydrophobicContact CG-CE2 4.33Å; P494-L513 HydrophobicContact CB-CD1 4.09Å; P494-L513 HydrophobicContact CB-CD2 4.41Å; P494-L513 HydrophobicContact CG-CD1 4.05Å; P494-L513 HydrophobicContact CG-CD2 4.17Å; P494-F539 HydrophobicContact CG-CD2 3.86Å; P494-F539 HydrophobicContact CG-CE2 3.67Å
495	A	65.9	Low	56.1	Low	41 Å²	41	73.2 Å²	73.2	34%	0.339	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	109.4	168.3	0	0	0	0	0	109.9	A463 E464 L466	A463-A495 CarbonylContact C-O 3.57Å; A463-A495 WeakPolarHBondContact CA-O 3.28Å; A463-A495 WeakPolarHBondContact CB-O 3.24Å; E464-A495 PolarHBondContact N-O 2.82Å; E464-A495 PolarHBondContact O-N 3.21Å; L466-A495 HydrophobicContact CD2-CB 3.92Å; L466-A495 HydrophobicContact CG-CB 4.11Å
496	Y	65.4	Low	56.5	Low	47 Å²	47	72.9 Å²	72.9	18%	0.184	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	132.9	-176.9	-58.2	-82.6	0	0	0	112	L445 L461 A463 P494 R535 P536	L445-Y496 HydrophobicContact CD1-CE1 4.08Å; L445-Y496 HydrophobicContact CD2-CE1 4.33Å; L445-Y496 HydrophobicContact CG-CE1 4.14Å; L461-Y496 HydrophobicContact CB-CD1 3.97Å; L461-Y496 HydrophobicContact CB-CE1 4.26Å; L461-Y496 HydrophobicContact CD2-CD1 4.15Å; A463-Y496 HydrophobicContact CB-CD1 3.74Å; A463-Y496 HydrophobicContact CB-CE1 4.05Å; A463-Y496 HydrophobicContact CB-CG 4.23Å; P494-Y496 HydrophobicContact CG-CE2 4.33Å; Y496-R535 HydrophobicContact CD2-CB 4.47Å; Y496-R535 HydrophobicContact CE2-CB 4.03Å; Y496-P536 WeakPolarHBondContact CE2-O 3.48Å; Y496-P536 PolarHBondContact OH-O 2.89Å
497	Q	55.7	Low	56.5	Low	96 Å²	96	75.8 Å²	75.8	45%	0.449	41%	0.406	S	S	.	.			trans	-83.1	-33.9	-174.2	-69.6	-170.6	-35.1	0	0	114.1	E462 E464	E462-Q497 PolarHBondContact O-N 3.46Å; E464-Q497 PolarHBondContact OE1-NE2 3.19Å; E464-Q497 PolarHBondContact OE2-NE2 2.03Å
498	E	54.4	Low	56.5	Low	164 Å²	164	76.7 Å²	76.7	77%	0.766	41%	0.411	S	S	*	.	S	Bend	trans	-132.1	163.6	-176.6	-65.7	-168.8	147.2	0	0	112.5
499	E	47.7	Very low	56.4	Low	63 Å²	63	75.6 Å²	75.6	29%	0.294	40%	0.404	S	S	.	.			trans	77.9	75.1	-171.9	-59.8	-165.9	150.1	0	0	118.1	L461 A502 R535	L461-E499 HydrophobicContact CD2-CB 4.29Å; L461-E499 HydrophobicContact CD2-CG 4.3Å; E499-A502 HydrophobicContact CB-CB 4.39Å; E499-A502 HydrophobicContact CG-CB 4.23Å; E499-R535 VanDerWaalsContact O-CZ 3.26Å; E499-R535 PolarHBondContact O-NH1 2.84Å; E499-R535 PolarHBondContact O-NH2 3.45Å; E499-R535 IonicContact OE2-CZ 3.4Å; E499-R535 IonicContact OE2-NE 3.3Å; E499-R535 IonicContact OE2-NH2 3.91Å; E499-R535 PolarHBondContact OE2-NH2 2.94Å
500	E	41.6	Very low	56.9	Low	201 Å²	201	76.3 Å²	76.3	94%	0.939	41%	0.407	S	S	*	.	S	Bend	trans	-94.7	-15.8	145.9	-93	-168.3	144.2	0	0	113.1
501	E	39.9	Very low	57.4	Low	202 Å²	202	70.2 Å²	70.2	94%	0.944	38%	0.378	S	S	*	.	S	Bend	trans	-85.3	-12.4	-175.7	-61.3	-165.1	131.1	0	0	114.8	G503	E501-G503 PolarHBondContact O-N 3.1Å
502	A	43.5	Very low	58.2	Low	33 Å²	33	69.4 Å²	69.4	27%	0.273	37%	0.371	S	S	.	.			trans	-94.1	91.6	-179.6	0	0	0	0	0	111.3	E499 H504	E499-A502 HydrophobicContact CB-CB 4.39Å; E499-A502 HydrophobicContact CG-CB 4.23Å; A502-H504 PolarHBondContact O-N 3.39Å
503	G	41.4	Very low	58.7	Low	84 Å²	84	69 Å²	69	87%	0.866	37%	0.369	S	S	*	.			trans	-69.3	38.3	178.6	0	0	0	0	0	116.1	E501	E501-G503 PolarHBondContact O-N 3.1Å
504	H	49.2	Very low	59.8	Low	155 Å²	155	69 Å²	69	72%	0.718	37%	0.369	S	S	*	.			trans	-95.4	116.2	-179.8	-70.7	90.9	0	0	0	110.8	A502 W506	A502-H504 PolarHBondContact O-N 3.39Å; H504-W506 VanDerWaalsContact O-CD1 3.32Å
505	C	47.9	Very low	60.6	Low	69 Å²	69	68.7 Å²	68.7	47%	0.466	37%	0.367	S	S	.	.			trans	-78.5	122.9	178.2	-165	0	0	0	0	111	C533	C505-C533 VanDerWaalsContact CA-SG 3.59Å; C505-C533 HydrophobicContact CB-CB 4.47Å; C505-C533 WeakPolarHBondContact CB-SG 3.21Å; C505-C533 VanDerWaalsContact SG-CA 3.52Å; C505-C533 WeakPolarHBondContact SG-CB 3.16Å; C505-C533 CovalentContact SG-SG 2.03Å; C505-C533 PolarHBondContact SG-SG 3.27Å
506	W	53.5	Low	61.6	Low	56 Å²	56	69.9 Å²	69.9	21%	0.212	37%	0.366	C	S	.	.			trans	-97.6	90.9	173.5	-62.3	30.5	0	0	0	107	L455 L461 H504 W511	L455-W506 HydrophobicContact CD1-CH2 3.73Å; L455-W506 HydrophobicContact CD1-CZ3 4.14Å; L455-W506 HydrophobicContact CD2-CH2 3.41Å; L455-W506 VanDerWaalsContact CD2-CH2 3.41Å; L455-W506 HydrophobicContact CD2-CZ2 3.72Å; L455-W506 HydrophobicContact CD2-CZ3 4.01Å; L455-W506 HydrophobicContact CG-CH2 4.22Å; L461-W506 HydrophobicContact CD1-CH2 3.85Å; L461-W506 HydrophobicContact CD1-CZ2 3.97Å; H504-W506 VanDerWaalsContact O-CD1 3.32Å; W506-W511 AromaticContact CE3-CE2 3.56Å; W506-W511 HydrophobicContact CE3-CH2 4.24Å; W506-W511 AromaticContact CE3-CZ2 3.41Å; W506-W511 HydrophobicContact CE3-CZ2 3.41Å; W506-W511 VanDerWaalsContact CE3-CZ2 3.41Å; W506-W511 AromaticContact CE3-NE1 3.62Å; W506-W511 HydrophobicContact CH2-CZ2 4.44Å; W506-W511 HydrophobicContact CZ3-CD2 4.19Å; W506-W511 AromaticContact CZ3-CE2 3.54Å; W506-W511 HydrophobicContact CZ3-CE3 4.45Å; W506-W511 AromaticContact CZ3-CH2 3.67Å; W506-W511 HydrophobicContact CZ3-CH2 3.67Å; W506-W511 AromaticContact CZ3-CZ2 3.28Å; W506-W511 HydrophobicContact CZ3-CZ2 3.28Å; W506-W511 HydrophobicContact CZ3-CZ3 4.21Å
507	N	47.5	Very low	62.2	Low	87 Å²	87	68.5 Å²	68.5	47%	0.465	36%	0.361	S	S	.	.			trans	-91.6	139.3	-176	-150.7	78	0	0	0	109.9	S509	N507-S509 PolarHBondContact O-N 2.97Å
508	D	52.5	Low	63.1	Low	93 Å²	93	70.6 Å²	70.6	50%	0.497	37%	0.37	S	S	.	.	S	Bend	trans	59.7	22.7	176.3	-41	-50.7	0	0	0	115.2	H510	D508-H510 PolarHBondContact O-CD2 2.86Å
509	S	55.8	Low	64.3	Low	19 Å²	19	64.8 Å²	64.8	13%	0.133	35%	0.354	C	S	.	.			trans	-97.5	124.8	-168.7	68.9	0	0	0	0	114.3	E452 N507 W511	E452-S509 WeakPolarHBondContact OE1-CA 3.42Å; E452-S509 VanDerWaalsContact OE1-CB 3.24Å; E452-S509 WeakPolarHBondContact OE1-CB 3.41Å; N507-S509 PolarHBondContact O-N 2.97Å; S509-W511 VanDerWaalsContact CB-NE1 3.26Å; S509-W511 VanDerWaalsContact O-CD1 3.29Å; S509-W511 PolarHBondContact OG-NE1 2.96Å
510	H	73.6	Confident	66.1	Low	28 Å²	28	62 Å²	62	13%	0.13	34%	0.342	C	S	.	.			trans	-93.9	134.9	-178.9	-58.9	-115.9	0	0	0	110.9	W448 D508 D528	W448-H510 HydrophobicContact CB-CB 4.37Å; W448-H510 PolarHBondContact N-O 3.46Å; D508-H510 PolarHBondContact O-CD2 2.86Å; H510-D528 PolarHBondContact CE1-O 3.04Å; H510-D528 IonicContact CE1-OD1 2.72Å; H510-D528 PolarHBondContact CE1-OD1 3.02Å; H510-D528 IonicContact CE1-OD2 2.74Å; H510-D528 IonicContact CG-OD1 3.93Å; H510-D528 VanDerWaalsContact ND1-CG 3.3Å; H510-D528 PolarHBondContact ND1-O 3.01Å; H510-D528 IonicContact ND1-OD1 3.67Å; H510-D528 PolarHBondContact ND1-OD1 3.42Å; H510-D528 IonicContact ND1-OD2 3.87Å
511	W	80	Confident	68.4	Low	1 Å²	1	52.8 Å²	52.8	0%	0.004	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	150.5	-175	-63.4	92.2	0	0	0	112.8	L445 A446 R447 E452 L455 W506 S509 R527 P536 F539	L445-W511 HydrophobicContact CB-CD2 4.43Å; L445-W511 HydrophobicContact CB-CE3 3.85Å; A446-W511 VanDerWaalsContact C-CE3 3.44Å; R447-W511 HydrophobicContact CB-CZ3 4.4Å; R447-W511 HydrophobicContact CG-CH2 3.94Å; R447-W511 HydrophobicContact CG-CZ3 3.76Å; E452-W511 HydrophobicContact CG-CH2 4.35Å; E452-W511 HydrophobicContact CG-CZ2 4.03Å; E452-W511 VanDerWaalsContact OE2-CZ2 3.28Å; E452-W511 WeakPolarHBondContact OE2-CZ2 3.37Å; L455-W511 HydrophobicContact CD1-CH2 3.72Å; L455-W511 HydrophobicContact CD1-CZ3 3.75Å; L455-W511 HydrophobicContact CD2-CH2 4.39Å; L455-W511 HydrophobicContact CG-CH2 4.02Å; L455-W511 HydrophobicContact CG-CZ3 4.48Å; W506-W511 AromaticContact CE3-CE2 3.56Å; W506-W511 HydrophobicContact CE3-CH2 4.24Å; W506-W511 AromaticContact CE3-CZ2 3.41Å; W506-W511 HydrophobicContact CE3-CZ2 3.41Å; W506-W511 VanDerWaalsContact CE3-CZ2 3.41Å; W506-W511 AromaticContact CE3-NE1 3.62Å; W506-W511 HydrophobicContact CH2-CZ2 4.44Å; W506-W511 HydrophobicContact CZ3-CD2 4.19Å; W506-W511 AromaticContact CZ3-CE2 3.54Å; W506-W511 HydrophobicContact CZ3-CE3 4.45Å; W506-W511 AromaticContact CZ3-CH2 3.67Å; W506-W511 HydrophobicContact CZ3-CH2 3.67Å; W506-W511 AromaticContact CZ3-CZ2 3.28Å; W506-W511 HydrophobicContact CZ3-CZ2 3.28Å; W506-W511 HydrophobicContact CZ3-CZ3 4.21Å; S509-W511 VanDerWaalsContact CB-NE1 3.26Å; S509-W511 VanDerWaalsContact O-CD1 3.29Å; S509-W511 PolarHBondContact OG-NE1 2.96Å; W511-R527 PolarHBondContact O-N 3.12Å; W511-R527 VanDerWaalsContact O-N 3.14Å; W511-P536 HydrophobicContact CB-CG 4.41Å; W511-F539 HydrophobicContact CB-CE1 4.16Å; W511-F539 HydrophobicContact CB-CZ 4.39Å; W511-F539 WeakPolarHBondContact O-CE1 3.37Å
512	S	87.6	Confident	70.9	Confident	4 Å²	4	43.1 Å²	43.1	3%	0.028	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	152.8	160.9	60.3	0	0	0	0	110.9	A446 G525	A446-S512 PolarHBondContact N-O 2.98Å; A446-S512 PolarHBondContact O-N 2.74Å; A446-S512 PolarHBondContact O-OG 2.86Å; S512-G525 CarbonylContact C-O 3.54Å; S512-G525 VanDerWaalsContact CA-O 3.31Å; S512-G525 WeakPolarHBondContact CA-O 3.44Å; S512-G525 WeakPolarHBondContact CB-O 3.5Å
513	L	88.8	Confident	73.3	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	115.7	176.7	-172.8	66.4	0	0	0	108.4	C443 L445 L465 L492 P494 A524 G525 F539	C443-L513 HydrophobicContact CB-CD1 3.61Å; C443-L513 HydrophobicContact CB-CD2 4.48Å; C443-L513 HydrophobicContact CB-CG 4.01Å; L445-L513 HydrophobicContact CD2-CD1 4.02Å; L465-L513 HydrophobicContact CD2-CD2 4.19Å; L492-L513 HydrophobicContact CB-CD2 4.19Å; P494-L513 HydrophobicContact CB-CD1 4.09Å; P494-L513 HydrophobicContact CB-CD2 4.41Å; P494-L513 HydrophobicContact CG-CD1 4.05Å; P494-L513 HydrophobicContact CG-CD2 4.17Å; L513-A524 PolarHBondContact O-N 2.86Å; L513-G525 PolarHBondContact N-O 3.31Å; L513-G525 PolarHBondContact O-N 3.17Å; L513-F539 HydrophobicContact CB-CB 4.49Å; L513-F539 HydrophobicContact CB-CD1 3.8Å; L513-F539 HydrophobicContact CB-CD2 4.02Å; L513-F539 HydrophobicContact CB-CE1 3.96Å; L513-F539 HydrophobicContact CB-CE2 4.18Å; L513-F539 HydrophobicContact CB-CG 3.84Å; L513-F539 HydrophobicContact CB-CZ 4.15Å; L513-F539 HydrophobicContact CD1-CD2 4.5Å; L513-F539 HydrophobicContact CD1-CE2 4.2Å; L513-F539 HydrophobicContact CD2-CD2 3.96Å; L513-F539 HydrophobicContact CD2-CE2 4.47Å; L513-F539 HydrophobicContact CD2-CG 4.28Å; L513-F539 HydrophobicContact CG-CD2 4.4Å
514	L	91.4	Very high	75.6	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	128.9	169.7	-60.6	175.8	0	0	0	108.7	W333 W335 V428 C443 R444 A446 W521 F522 L523	W333-L514 HydrophobicContact CD2-CD1 3.58Å; W333-L514 VanDerWaalsContact CE2-CD1 3.45Å; W333-L514 HydrophobicContact CE3-CD1 3.88Å; W333-L514 HydrophobicContact CG-CD1 4.11Å; W333-L514 HydrophobicContact CH2-CD1 3.94Å; W333-L514 HydrophobicContact CZ2-CD1 3.66Å; W333-L514 HydrophobicContact CZ3-CD1 4.04Å; W335-L514 HydrophobicContact CZ2-CD1 4.04Å; V428-L514 HydrophobicContact CG2-CD2 3.97Å; C443-L514 CarbonylContact C-O 3.25Å; C443-L514 WeakPolarHBondContact CA-O 3.3Å; C443-L514 VanDerWaalsContact CB-O 3.28Å; C443-L514 WeakPolarHBondContact CB-O 3.4Å; R444-L514 PolarHBondContact N-O 2.03Å; R444-L514 PolarHBondContact O-N 2.87Å; A446-L514 HydrophobicContact CB-CD1 3.55Å; A446-L514 HydrophobicContact CB-CG 3.82Å; L514-W521 HydrophobicContact CB-CE3 3.73Å; L514-W521 HydrophobicContact CB-CZ3 4.2Å; L514-F522 CarbonylContact C-O 3.57Å; L514-F522 VanDerWaalsContact CA-O 3.23Å; L514-F522 WeakPolarHBondContact CA-O 3.48Å; L514-L523 HydrophobicContact CD2-CB 4.39Å; L514-L523 HydrophobicContact CD2-CD1 3.77Å
515	C	89.2	Confident	77.6	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	147.8	175.6	-64.6	0	0	0	0	110.9	F437 R442 C443 W521 F522 A524	F437-C515 HydrophobicContact CD1-CB 4.01Å; F437-C515 HydrophobicContact CE1-CB 3.95Å; R442-C515 CarbonylContact O-C 3.53Å; R442-C515 WeakPolarHBondContact O-CA 3.27Å; C443-C515 HydrophobicContact CB-CB 4.08Å; C443-C515 WeakPolarHBondContact CB-SG 3.23Å; C443-C515 WeakPolarHBondContact SG-CB 2.86Å; C443-C515 CovalentContact SG-SG 2.04Å; C443-C515 PolarHBondContact SG-SG 3.34Å; C515-W521 CarbonylContact O-C 3.47Å; C515-W521 WeakPolarHBondContact O-CA 3.49Å; C515-F522 PolarHBondContact N-O 3.27Å; C515-F522 PolarHBondContact O-N 3.49Å; C515-A524 HydrophobicContact CB-CB 3.84Å; C515-A524 WeakPolarHBondContact SG-CB 3.38Å
516	Q	86.2	Confident	79.5	Confident	66 Å²	66	27 Å²	27	31%	0.308	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.8	-174.4	-162.7	179.6	27.4	0	0	112	R442 G519 T520 W521	R442-Q516 PolarHBondContact O-N 2.86Å; Q516-G519 VanDerWaalsContact NE2-C 3.34Å; Q516-G519 PolarHBondContact NE2-O 3.17Å; Q516-T520 VanDerWaalsContact CA-O 3.32Å; Q516-T520 WeakPolarHBondContact CA-O 3.32Å; Q516-W521 HydrophobicContact CB-CD2 3.84Å; Q516-W521 HydrophobicContact CB-CE3 3.81Å; Q516-W521 HydrophobicContact CB-CH2 3.86Å; Q516-W521 HydrophobicContact CB-CZ2 3.89Å; Q516-W521 HydrophobicContact CB-CZ3 3.83Å; Q516-W521 VanDerWaalsContact CD-CE2 3.44Å; Q516-W521 VanDerWaalsContact CD-CZ2 3.5Å; Q516-W521 HydrophobicContact CG-CD2 4.01Å; Q516-W521 HydrophobicContact CG-CE3 4.49Å; Q516-W521 HydrophobicContact CG-CG 4.3Å; Q516-W521 HydrophobicContact CG-CZ2 4.07Å; Q516-W521 VanDerWaalsContact OE1-CZ2 3.31Å
517	E	78.8	Confident	80.7	Confident	18 Å²	18	27.3 Å²	27.3	8%	0.084	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	134.2	173.6	-57	-159.5	156.1	0	0	109.2	H435 F437 S441 G519 T520 F522	H435-E517 IonicContact NE2-OE2 3.09Å; F437-E517 HydrophobicContact CD1-CG 4.29Å; F437-E517 WeakPolarHBondContact CD1-OE1 3.4Å; S441-E517 PolarHBondContact OG-OE1 2.85Å; E517-G519 PolarHBondContact O-N 2.88Å; E517-T520 PolarHBondContact N-O 3.15Å; E517-T520 WeakPolarHBondContact O-CA 3.24Å; E517-T520 WeakPolarHBondContact O-CB 2.89Å; E517-T520 PolarHBondContact O-N 2.89Å; E517-F522 HydrophobicContact CB-CE2 4.34Å
518	E	75.2	Confident	81.2	Confident	139 Å²	139	24 Å²	24	65%	0.65	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	24.1	-175.9	-64.6	-114.8	88	0	0	114.8	T520 L562 T563	E518-T520 VanDerWaalsContact C-N 3.34Å; E518-L562 HydrophobicContact CB-CD1 4.17Å; E518-L562 HydrophobicContact CG-CB 4.28Å; E518-T563 WeakPolarHBondContact OE2-CG2 2.67Å; E518-T563 PolarHBondContact OE2-OG1 2.76Å
519	G	78.3	Confident	81.4	Confident	42 Å²	42	24.1 Å²	24.1	43%	0.433	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	-8.8	-175	0	0	0	0	0	115.3	Q516 E517	Q516-G519 VanDerWaalsContact NE2-C 3.34Å; Q516-G519 PolarHBondContact NE2-O 3.17Å; E517-G519 PolarHBondContact O-N 2.88Å
520	T	85.5	Confident	81.2	Confident	6 Å²	6	26.6 Å²	26.6	4%	0.037	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	131.6	178	-57.2	0	0	0	0	110.8	P322 C429 Q516 E517 E518 F522 L562	P322-T520 HydrophobicContact CB-CG2 3.72Å; P322-T520 HydrophobicContact CG-CG2 4.05Å; C429-T520 HydrophobicContact CB-CG2 4.33Å; C429-T520 WeakPolarHBondContact SG-CG2 3.02Å; Q516-T520 VanDerWaalsContact CA-O 3.32Å; Q516-T520 WeakPolarHBondContact CA-O 3.32Å; E517-T520 PolarHBondContact N-O 3.15Å; E517-T520 WeakPolarHBondContact O-CA 3.24Å; E517-T520 WeakPolarHBondContact O-CB 2.89Å; E517-T520 PolarHBondContact O-N 2.89Å; E518-T520 VanDerWaalsContact C-N 3.34Å; T520-F522 HydrophobicContact CG2-CD2 4.45Å; T520-F522 HydrophobicContact CG2-CE2 3.96Å; T520-F522 HydrophobicContact CG2-CZ 4.46Å; T520-L562 HydrophobicContact CG2-CD1 4.26Å
521	W	90.3	Very high	79.8	Confident	6 Å²	6	29.5 Å²	29.5	2%	0.023	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	127	176.3	-66.5	85.2	0	0	0	112.8	G325 P330 W333 W335 C429 R444 L514 C515 Q516	G325-W521 WeakPolarHBondContact CA-O 3.4Å; G325-W521 WeakPolarHBondContact O-CB 3.48Å; G325-W521 VanDerWaalsContact O-CD1 3.3Å; G325-W521 PolarHBondContact O-N 2.9Å; P330-W521 HydrophobicContact CG-CZ2 4.45Å; W333-W521 HydrophobicContact CH2-CD2 4.15Å; W333-W521 HydrophobicContact CH2-CE3 4.21Å; W333-W521 HydrophobicContact CH2-CH2 4.17Å; W333-W521 HydrophobicContact CH2-CZ2 4.09Å; W333-W521 HydrophobicContact CH2-CZ3 4.21Å; W333-W521 AromaticContact CZ3-CD2 3.89Å; W333-W521 HydrophobicContact CZ3-CD2 3.89Å; W333-W521 AromaticContact CZ3-CE2 3.85Å; W333-W521 HydrophobicContact CZ3-CE3 4.35Å; W333-W521 HydrophobicContact CZ3-CG 4.22Å; W333-W521 HydrophobicContact CZ3-CZ2 4.3Å; W335-W521 HydrophobicContact CH2-CB 3.61Å; W335-W521 HydrophobicContact CH2-CG 4.02Å; W335-W521 HydrophobicContact CZ2-CB 3.76Å; W335-W521 HydrophobicContact CZ2-CG 4.24Å; C429-W521 PolarHBondContact N-O 2.73Å; R444-W521 HydrophobicContact CB-CH2 4.26Å; R444-W521 HydrophobicContact CB-CZ3 4.13Å; R444-W521 HydrophobicContact CG-CH2 3.88Å; R444-W521 HydrophobicContact CG-CZ3 4.19Å; L514-W521 HydrophobicContact CB-CE3 3.73Å; L514-W521 HydrophobicContact CB-CZ3 4.2Å; C515-W521 CarbonylContact O-C 3.47Å; C515-W521 WeakPolarHBondContact O-CA 3.49Å; Q516-W521 HydrophobicContact CB-CD2 3.84Å; Q516-W521 HydrophobicContact CB-CE3 3.81Å; Q516-W521 HydrophobicContact CB-CH2 3.86Å; Q516-W521 HydrophobicContact CB-CZ2 3.89Å; Q516-W521 HydrophobicContact CB-CZ3 3.83Å; Q516-W521 VanDerWaalsContact CD-CE2 3.44Å; Q516-W521 VanDerWaalsContact CD-CZ2 3.5Å; Q516-W521 HydrophobicContact CG-CD2 4.01Å; Q516-W521 HydrophobicContact CG-CE3 4.49Å; Q516-W521 HydrophobicContact CG-CG 4.3Å; Q516-W521 HydrophobicContact CG-CZ2 4.07Å; Q516-W521 VanDerWaalsContact OE1-CZ2 3.31Å
522	F	91.9	Very high	78.3	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	143.4	173.7	-68.1	-104	0	0	0	110.7	C429 P431 H435 F437 L514 C515 E517 T520 A524 E559 L562	C429-F522 HydrophobicContact CB-CD1 3.87Å; C429-F522 HydrophobicContact CB-CE1 4.04Å; C429-F522 HydrophobicContact CB-CG 4.17Å; C429-F522 HydrophobicContact CB-CZ 4.46Å; C429-F522 CarbonylContact O-C 3.56Å; C429-F522 VanDerWaalsContact O-CA 3.31Å; C429-F522 WeakPolarHBondContact O-CA 3.37Å; P431-F522 HydrophobicContact CB-CD1 4.35Å; H435-F522 AromaticContact CE1-CE1 3.63Å; H435-F522 AromaticContact ND1-CE1 3.69Å; H435-F522 AromaticContact NE2-CD1 3.62Å; H435-F522 AromaticContact NE2-CD2 3.89Å; H435-F522 AromaticContact NE2-CE1 2.89Å; H435-F522 WeakPolarHBondContact NE2-CE1 3.26Å; H435-F522 AromaticContact NE2-CE2 3.24Å; H435-F522 WeakPolarHBondContact NE2-CE2 3.34Å; H435-F522 AromaticContact NE2-CZ 2.67Å; H435-F522 WeakPolarHBondContact NE2-CZ 3.05Å; F437-F522 HydrophobicContact CE1-CB 3.8Å; F437-F522 HydrophobicContact CE1-CD2 4.31Å; F437-F522 AromaticContact CE1-CG 3.99Å; F437-F522 HydrophobicContact CE1-CG 3.99Å; F437-F522 HydrophobicContact CZ-CB 3.72Å; F437-F522 HydrophobicContact CZ-CD1 4.45Å; F437-F522 HydrophobicContact CZ-CG 4.16Å; L514-F522 CarbonylContact C-O 3.57Å; L514-F522 VanDerWaalsContact CA-O 3.23Å; L514-F522 WeakPolarHBondContact CA-O 3.48Å; C515-F522 PolarHBondContact N-O 3.27Å; C515-F522 PolarHBondContact O-N 3.49Å; E517-F522 HydrophobicContact CB-CE2 4.34Å; T520-F522 HydrophobicContact CG2-CD2 4.45Å; T520-F522 HydrophobicContact CG2-CE2 3.96Å; T520-F522 HydrophobicContact CG2-CZ 4.46Å; F522-A524 VanDerWaalsContact C-N 3.27Å; F522-A524 PolarHBondContact O-N 3.23Å; F522-A524 VanDerWaalsContact O-N 3.08Å; F522-E559 HydrophobicContact CE1-CB 3.75Å; F522-E559 HydrophobicContact CZ-CB 4.16Å; F522-L562 HydrophobicContact CE2-CD1 3.79Å; F522-L562 HydrophobicContact CE2-CG 4.22Å; F522-L562 HydrophobicContact CZ-CD1 3.88Å; F522-L562 HydrophobicContact CZ-CD2 4.18Å; F522-L562 HydrophobicContact CZ-CG 3.87Å
523	L	93.6	Very high	76.3	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	83	163.2	-172.9	70.8	0	0	0	108	A350 L358 V428 C429 L430 P431 W448 L514 V542	A350-L523 HydrophobicContact CB-CD2 4.24Å; L358-L523 HydrophobicContact CD2-CD2 3.98Å; V428-L523 HydrophobicContact CG1-CB 3.84Å; V428-L523 HydrophobicContact CG1-CD2 4.44Å; V428-L523 HydrophobicContact CG2-CB 3.99Å; C429-L523 PolarHBondContact O-N 3.42Å; L430-L523 HydrophobicContact CD2-CB 3.86Å; L430-L523 HydrophobicContact CD2-CD2 3.95Å; P431-L523 VanDerWaalsContact CD-O 3.29Å; P431-L523 WeakPolarHBondContact CD-O 3.35Å; W448-L523 HydrophobicContact CH2-CD2 4.34Å; W448-L523 HydrophobicContact CZ3-CD2 4.27Å; L514-L523 HydrophobicContact CD2-CB 4.39Å; L514-L523 HydrophobicContact CD2-CD1 3.77Å; L523-V542 HydrophobicContact CD2-CG2 4.32Å; L523-V542 HydrophobicContact CG-CG2 4.13Å; L523-V542 WeakPolarHBondContact O-CB 3.28Å; L523-V542 WeakPolarHBondContact O-CG2 3.32Å
524	A	91.2	Very high	74.5	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-40.8	-171.7	0	0	0	0	0	112.3	F437 L492 L513 C515 F522 P541 V542 Q543	F437-A524 HydrophobicContact CD2-CB 4.1Å; F437-A524 HydrophobicContact CE1-CB 4.19Å; F437-A524 HydrophobicContact CE2-CB 3.44Å; F437-A524 VanDerWaalsContact CE2-CB 3.44Å; F437-A524 HydrophobicContact CZ-CB 3.49Å; F437-A524 VanDerWaalsContact CZ-CB 3.49Å; L492-A524 HydrophobicContact CD1-CB 3.82Å; L492-A524 WeakPolarHBondContact CD1-O 3.49Å; L513-A524 PolarHBondContact O-N 2.86Å; C515-A524 HydrophobicContact CB-CB 3.84Å; C515-A524 WeakPolarHBondContact SG-CB 3.38Å; F522-A524 VanDerWaalsContact C-N 3.27Å; F522-A524 PolarHBondContact O-N 3.23Å; F522-A524 VanDerWaalsContact O-N 3.08Å; A524-P541 WeakPolarHBondContact O-CA 3.43Å; A524-V542 PolarHBondContact O-N 2.89Å; A524-Q543 PolarHBondContact O-OE1 2.03Å
525	G	90.1	Very high	73	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	165.5	-176.7	0	0	0	0	0	115.7	S512 L513 F540	S512-G525 CarbonylContact C-O 3.54Å; S512-G525 VanDerWaalsContact CA-O 3.31Å; S512-G525 WeakPolarHBondContact CA-O 3.44Å; S512-G525 WeakPolarHBondContact CB-O 3.5Å; L513-G525 PolarHBondContact N-O 3.31Å; L513-G525 PolarHBondContact O-N 3.17Å; G525-F540 CarbonylContact C-O 3.53Å; G525-F540 WeakPolarHBondContact CA-O 3.04Å
526	I	87.8	Confident	71.4	Confident	3 Å²	3	44.6 Å²	44.6	2%	0.015	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	159.2	-179.3	58.8	-178.7	0	0	0	110.9	L410 W448 F540 V542	L410-I526 HydrophobicContact CD1-CD1 3.97Å; L410-I526 HydrophobicContact CD2-CD1 3.56Å; L410-I526 HydrophobicContact CG-CD1 3.76Å; W448-I526 HydrophobicContact CD2-CG2 4.4Å; W448-I526 HydrophobicContact CH2-CG2 4.05Å; W448-I526 HydrophobicContact CZ2-CB 4.47Å; W448-I526 HydrophobicContact CZ2-CG2 3.63Å; I526-F540 HydrophobicContact CG1-CB 4.29Å; I526-F540 PolarHBondContact N-O 3.3Å; I526-F540 PolarHBondContact O-N 3.42Å; I526-V542 HydrophobicContact CG2-CG2 3.89Å
527	R	78.8	Confident	70.5	Confident	62 Å²	62	49.3 Å²	49.3	23%	0.234	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	123.9	176.2	178.5	-171.7	175.4	104.3	2.3	110.9	W511 A538 F539	W511-R527 PolarHBondContact O-N 3.12Å; W511-R527 VanDerWaalsContact O-N 3.14Å; R527-A538 PolarHBondContact NH1-O 3.25Å; R527-F539 HydrophobicContact CB-CD1 3.74Å; R527-F539 HydrophobicContact CB-CE1 3.96Å; R527-F539 HydrophobicContact CB-CG 4.46Å
528	D	58.7	Low	70.3	Confident	18 Å²	18	49.2 Å²	49.2	10%	0.096	27%	0.269	C	S	.	.			trans	-103.4	-15.1	-179.5	-146.6	58.9	0	0	0	115.4	H510 P530	H510-D528 PolarHBondContact CE1-O 3.04Å; H510-D528 IonicContact CE1-OD1 2.72Å; H510-D528 PolarHBondContact CE1-OD1 3.02Å; H510-D528 IonicContact CE1-OD2 2.74Å; H510-D528 IonicContact CG-OD1 3.93Å; H510-D528 VanDerWaalsContact ND1-CG 3.3Å; H510-D528 PolarHBondContact ND1-O 3.01Å; H510-D528 IonicContact ND1-OD1 3.67Å; H510-D528 PolarHBondContact ND1-OD1 3.42Å; H510-D528 IonicContact ND1-OD2 3.87Å; D528-P530 WeakPolarHBondContact O-CD 3.36Å; D528-P530 VanDerWaalsContact O-N 3.14Å
529	F	57.7	Low	70.6	Confident	94 Å²	94	42.8 Å²	42.8	41%	0.412	24%	0.238	S	C	.	.			trans	-56	110.6	-172.8	-94.8	-79.6	0	0	0	115.6	D406 S531	D406-F529 HydrophobicContact CB-CD2 4.36Å; D406-F529 HydrophobicContact CB-CE2 3.9Å; D406-F529 HydrophobicContact CB-CZ 4.46Å; D406-F529 WeakPolarHBondContact OD2-CE2 3.26Å; D406-F529 WeakPolarHBondContact OD2-CZ 3.29Å; F529-S531 PolarHBondContact O-N 2.78Å
530	P	51.4	Low	71	Confident	72 Å²	72	43.6 Å²	43.6	47%	0.468	23%	0.23	S	C	.	.			trans	-97.9	71.8	-179.9	37	-27.8	0	0	0	110.4	D528	D528-P530 WeakPolarHBondContact O-CD 3.36Å; D528-P530 VanDerWaalsContact O-N 3.14Å
531	S	42.8	Very low	71.1	Confident	88 Å²	88	43.4 Å²	43.4	62%	0.615	23%	0.229	S	C	*	.			trans	-149.4	101.1	178.5	68	0	0	0	0	114.2	F529	F529-S531 PolarHBondContact O-N 2.78Å
532	G	48.7	Very low	71.1	Confident	39 Å²	39	43.2 Å²	43.2	40%	0.402	23%	0.229	S	C	.	.	S	Bend	trans	104.4	164.2	161.1	0	0	0	0	0	116.3	L534	G532-L534 VanDerWaalsContact C-N 3.25Å; G532-L534 PolarHBondContact O-N 3.27Å
533	C	46.7	Very low	70.7	Confident	76 Å²	76	43.3 Å²	43.3	51%	0.514	23%	0.229	S	C	.	.	S	Bend	trans	-82.2	52	-169.5	-162.7	0	0	0	0	113.3	C505	C505-C533 VanDerWaalsContact CA-SG 3.59Å; C505-C533 HydrophobicContact CB-CB 4.47Å; C505-C533 WeakPolarHBondContact CB-SG 3.21Å; C505-C533 VanDerWaalsContact SG-CA 3.52Å; C505-C533 WeakPolarHBondContact SG-CB 3.16Å; C505-C533 CovalentContact SG-SG 2.03Å; C505-C533 PolarHBondContact SG-SG 3.27Å
534	L	49.5	Very low	70.3	Confident	128 Å²	128	46.5 Å²	46.5	67%	0.67	25%	0.249	S	C	*	.			trans	-140	133.8	-169.4	-67.8	173.2	0	0	0	112.1	G532	G532-L534 VanDerWaalsContact C-N 3.25Å; G532-L534 PolarHBondContact O-N 3.27Å
535	R	59.9	Low	70.1	Confident	72 Å²	72	47.2 Å²	47.2	27%	0.272	25%	0.252	S	S	.	.			trans	-57.1	141.1	171.1	-66.7	-173.7	-173.1	113.5	12.8	110.6	Y496 E499 R537	Y496-R535 HydrophobicContact CD2-CB 4.47Å; Y496-R535 HydrophobicContact CE2-CB 4.03Å; E499-R535 VanDerWaalsContact O-CZ 3.26Å; E499-R535 PolarHBondContact O-NH1 2.84Å; E499-R535 PolarHBondContact O-NH2 3.45Å; E499-R535 IonicContact OE2-CZ 3.4Å; E499-R535 IonicContact OE2-NE 3.3Å; E499-R535 IonicContact OE2-NH2 3.91Å; E499-R535 PolarHBondContact OE2-NH2 2.94Å; R535-R537 PolarHBondContact O-N 3.06Å
536	P	57.5	Low	69.6	Low	7 Å²	7	47.4 Å²	47.4	5%	0.045	25%	0.254	C	S	.	.			trans	-50.1	105.3	169.5	-34.2	40.8	0	0	0	113.8	Y496 W511 F539	Y496-P536 WeakPolarHBondContact CE2-O 3.48Å; Y496-P536 PolarHBondContact OH-O 2.89Å; W511-P536 HydrophobicContact CB-CG 4.41Å; P536-F539 HydrophobicContact CB-CD2 4.33Å; P536-F539 HydrophobicContact CB-CE1 4.14Å; P536-F539 HydrophobicContact CB-CE2 3.38Å; P536-F539 HydrophobicContact CB-CZ 3.26Å; P536-F539 HydrophobicContact CG-CZ 3.97Å
537	R	67.2	Low	69.2	Low	166 Å²	166	49.5 Å²	49.5	63%	0.626	27%	0.267	S	S	*	.			trans	-92.6	-3.4	175.7	-61.3	-173.5	174.8	-166.9	-3.9	114.2	Y475 R535	Y475-R537 WeakPolarHBondContact OH-CB 2.98Å; Y475-R537 PolarHBondContact OH-O 2.74Å; Y475-R537 VanDerWaalsContact OH-O 3.12Å; R535-R537 PolarHBondContact O-N 3.06Å
538	A	73.2	Confident	69.5	Low	16 Å²	16	48.3 Å²	48.3	13%	0.132	26%	0.263	C	S	.	.			trans	-152.5	143.3	176.1	0	0	0	0	0	109.3	Y475 L492 R527	Y475-A538 HydrophobicContact CD1-CB 4.4Å; Y475-A538 HydrophobicContact CD2-CB 4.18Å; Y475-A538 HydrophobicContact CE1-CB 4.16Å; Y475-A538 HydrophobicContact CE2-CB 3.93Å; Y475-A538 HydrophobicContact CG-CB 4.41Å; L492-A538 CarbonylContact O-C 3.57Å; L492-A538 WeakPolarHBondContact O-CA 2.97Å; R527-A538 PolarHBondContact NH1-O 3.25Å
539	F	81.4	Confident	70.8	Confident	3 Å²	3	47.5 Å²	47.5	1%	0.013	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-128.7	150.4	175.4	-71.4	-99.6	0	0	0	109.5	L445 A491 L492 P494 W511 L513 R527 P536	L445-F539 HydrophobicContact CD2-CE1 4.37Å; L445-F539 HydrophobicContact CD2-CE2 4.08Å; L445-F539 HydrophobicContact CD2-CZ 3.48Å; L445-F539 VanDerWaalsContact CD2-CZ 3.48Å; A491-F539 CarbonylContact C-O 3.39Å; A491-F539 WeakPolarHBondContact CA-O 3.48Å; L492-F539 HydrophobicContact CB-CB 4.41Å; L492-F539 PolarHBondContact N-O 3.42Å; L492-F539 PolarHBondContact O-N 3.23Å; P494-F539 HydrophobicContact CG-CD2 3.86Å; P494-F539 HydrophobicContact CG-CE2 3.67Å; W511-F539 HydrophobicContact CB-CE1 4.16Å; W511-F539 HydrophobicContact CB-CZ 4.39Å; W511-F539 WeakPolarHBondContact O-CE1 3.37Å; L513-F539 HydrophobicContact CB-CB 4.49Å; L513-F539 HydrophobicContact CB-CD1 3.8Å; L513-F539 HydrophobicContact CB-CD2 4.02Å; L513-F539 HydrophobicContact CB-CE1 3.96Å; L513-F539 HydrophobicContact CB-CE2 4.18Å; L513-F539 HydrophobicContact CB-CG 3.84Å; L513-F539 HydrophobicContact CB-CZ 4.15Å; L513-F539 HydrophobicContact CD1-CD2 4.5Å; L513-F539 HydrophobicContact CD1-CE2 4.2Å; L513-F539 HydrophobicContact CD2-CD2 3.96Å; L513-F539 HydrophobicContact CD2-CE2 4.47Å; L513-F539 HydrophobicContact CD2-CG 4.28Å; L513-F539 HydrophobicContact CG-CD2 4.4Å; R527-F539 HydrophobicContact CB-CD1 3.74Å; R527-F539 HydrophobicContact CB-CE1 3.96Å; R527-F539 HydrophobicContact CB-CG 4.46Å; P536-F539 HydrophobicContact CB-CD2 4.33Å; P536-F539 HydrophobicContact CB-CE1 4.14Å; P536-F539 HydrophobicContact CB-CE2 3.38Å; P536-F539 HydrophobicContact CB-CZ 3.26Å; P536-F539 HydrophobicContact CG-CZ 3.97Å
540	F	86.4	Confident	71.7	Confident	60 Å²	60	43.6 Å²	43.6	26%	0.263	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	131.1	167.2	-58.6	-65.3	0	0	0	108.8	A407 G525 I526	A407-F540 VanDerWaalsContact CA-CD2 3.45Å; A407-F540 HydrophobicContact CB-CB 3.87Å; A407-F540 HydrophobicContact CB-CD1 3.51Å; A407-F540 HydrophobicContact CB-CD2 3.62Å; A407-F540 HydrophobicContact CB-CE1 3.86Å; A407-F540 HydrophobicContact CB-CE2 3.95Å; A407-F540 HydrophobicContact CB-CG 3.37Å; A407-F540 HydrophobicContact CB-CZ 4.06Å; G525-F540 CarbonylContact C-O 3.53Å; G525-F540 WeakPolarHBondContact CA-O 3.04Å; I526-F540 HydrophobicContact CG1-CB 4.29Å; I526-F540 PolarHBondContact N-O 3.3Å; I526-F540 PolarHBondContact O-N 3.42Å
541	P	88.1	Confident	72.8	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.013	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	148	179.5	0.8	10.4	0	0	0	111.1	P489 L492 A524 Q543 T544	P489-P541 WeakPolarHBondContact O-CG 3.08Å; L492-P541 HydrophobicContact CD1-CB 4.17Å; L492-P541 HydrophobicContact CG-CB 4.19Å; L492-P541 HydrophobicContact CG-CG 4.39Å; A524-P541 WeakPolarHBondContact O-CA 3.43Å; P541-Q543 HydrophobicContact CB-CG 4.17Å; P541-T544 HydrophobicContact CG-CG2 4.32Å; P541-T544 PolarHBondContact O-OG1 3.02Å
542	V	89.9	Confident	74.6	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.012	21%	0.213	C	C	.	.	S	Bend	trans	-82.4	-26.1	176.8	178.2	0	0	0	0	111.9	L358 L430 P431 L523 A524 I526 T544 H545 G546 I549	L358-V542 HydrophobicContact CD2-CG1 4.43Å; L430-V542 HydrophobicContact CD2-CG1 4.27Å; P431-V542 HydrophobicContact CG-CB 4.48Å; L523-V542 HydrophobicContact CD2-CG2 4.32Å; L523-V542 HydrophobicContact CG-CG2 4.13Å; L523-V542 WeakPolarHBondContact O-CB 3.28Å; L523-V542 WeakPolarHBondContact O-CG2 3.32Å; A524-V542 PolarHBondContact O-N 2.89Å; I526-V542 HydrophobicContact CG2-CG2 3.89Å; V542-T544 PolarHBondContact O-N 2.79Å; V542-H545 PolarHBondContact O-N 2.78Å; V542-G546 PolarHBondContact O-N 2.89Å; V542-I549 HydrophobicContact CG1-CD1 3.72Å
543	Q	84.4	Confident	76	Confident	1 Å²	1	39 Å²	39	1%	0.005	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-61.4	-26.8	-178.2	56.4	-93.2	58.8	0	0	113.9	P431 H432 H435 P488 A524 P541 H545 G546	P431-Q543 HydrophobicContact CB-CB 4.03Å; P431-Q543 HydrophobicContact CG-CB 3.94Å; P431-Q543 WeakPolarHBondContact O-CB 3.46Å; H432-Q543 VanDerWaalsContact O-CB 3.24Å; H432-Q543 WeakPolarHBondContact O-CB 3.32Å; H435-Q543 PolarHBondContact O-NE2 2.8Å; P488-Q543 HydrophobicContact CB-CG 4.27Å; A524-Q543 PolarHBondContact O-OE1 2.03Å; P541-Q543 HydrophobicContact CB-CG 4.17Å; Q543-H545 PolarHBondContact O-N 2.82Å; Q543-G546 PolarHBondContact O-N 2.99Å
544	T	84.4	Confident	77	Confident	68 Å²	68	42.2 Å²	42.2	42%	0.417	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-65.2	-18.1	174.4	51.9	0	0	0	0	113.3	P541 V542	P541-T544 HydrophobicContact CG-CG2 4.32Å; P541-T544 PolarHBondContact O-OG1 3.02Å; V542-T544 PolarHBondContact O-N 2.79Å
545	H	86.6	Confident	77.9	Confident	15 Å²	15	37.3 Å²	37.3	7%	0.069	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-104.5	4.2	174.2	-54.5	-84.6	0	0	0	112.3	H399 A407 L410 V542 Q543 W548 I549	H399-H545 AromaticContact CD2-ND1 3.62Å; H399-H545 AromaticContact CE1-CE1 3.92Å; H399-H545 AromaticContact CE1-ND1 3.58Å; H399-H545 AromaticContact NE2-CE1 3.79Å; H399-H545 AromaticContact NE2-ND1 3.01Å; H399-H545 PolarHBondContact NE2-ND1 2.84Å; A407-H545 PolarHBondContact O-NE2 2.93Å; L410-H545 HydrophobicContact CD1-CB 3.86Å; V542-H545 PolarHBondContact O-N 2.78Å; Q543-H545 PolarHBondContact O-N 2.82Å; H545-W548 PolarHBondContact O-N 3Å; H545-I549 HydrophobicContact CB-CD1 4.19Å; H545-I549 HydrophobicContact CB-CG1 4.38Å; H545-I549 WeakPolarHBondContact O-CG1 3.1Å; H545-I549 PolarHBondContact O-N 2.97Å
546	G	80.1	Confident	78.7	Confident	3 Å²	3	34.1 Å²	34.1	3%	0.031	17%	0.174	C	C	.	.	H	α-helix	trans	-48.5	-49.3	-179.1	0	0	0	0	0	114.4	V542 Q543 I549 S550	V542-G546 PolarHBondContact O-N 2.89Å; Q543-G546 PolarHBondContact O-N 2.99Å; G546-I549 PolarHBondContact O-N 3.41Å; G546-S550 WeakPolarHBondContact O-CB 3.32Å; G546-S550 PolarHBondContact O-N 3.43Å
547	P	79.7	Confident	79.9	Confident	47 Å²	47	34 Å²	34	31%	0.305	17%	0.172	S	C	.	.	H	α-helix	trans	-59.3	-53.3	179.2	-24.8	35.8	0	0	0	111.6	Q182 P433 I549 S550 H551	Q182-P547 PolarHBondContact NE2-O 2.64Å; P433-P547 HydrophobicContact CG-CG 4.24Å; P547-I549 PolarHBondContact O-N 2.04Å; P547-S550 PolarHBondContact O-N 3Å; P547-H551 WeakPolarHBondContact O-CB 3.43Å; P547-H551 PolarHBondContact O-N 2.94Å
548	W	86	Confident	80.4	Confident	37 Å²	37	27.2 Å²	27.2	14%	0.14	15%	0.148	C	C	.	.	H	α-helix	trans	-58.7	-45	177.3	170.2	84.9	0	0	0	112.7	L358 V397 H399 L410 L412 H545 S550 V552	L358-W548 HydrophobicContact CD1-CZ3 4.09Å; V397-W548 HydrophobicContact CG1-CZ2 4.31Å; H399-W548 HydrophobicContact CB-CD2 4.18Å; H399-W548 HydrophobicContact CB-CE3 4.3Å; H399-W548 HydrophobicContact CB-CH2 3.95Å; H399-W548 HydrophobicContact CB-CZ2 3.78Å; H399-W548 HydrophobicContact CB-CZ3 4.2Å; H399-W548 AromaticContact CD2-CD2 3.5Å; H399-W548 AromaticContact CD2-CE3 3.63Å; H399-W548 AromaticContact CD2-CG 3.67Å; H399-W548 VanDerWaalsContact N-CZ2 3.31Å; L410-W548 HydrophobicContact CB-CH2 4.08Å; L410-W548 HydrophobicContact CB-CZ3 3.83Å; L410-W548 HydrophobicContact CD1-CZ3 4.31Å; L412-W548 HydrophobicContact CB-CH2 4.27Å; L412-W548 HydrophobicContact CD1-CE3 4.28Å; L412-W548 HydrophobicContact CD1-CH2 3.62Å; L412-W548 HydrophobicContact CD1-CZ2 4.04Å; L412-W548 HydrophobicContact CD1-CZ3 3.76Å; L412-W548 HydrophobicContact CG-CH2 3.75Å; L412-W548 HydrophobicContact CG-CZ2 4.44Å; L412-W548 HydrophobicContact CG-CZ3 4.1Å; H545-W548 PolarHBondContact O-N 3Å; W548-S550 VanDerWaalsContact C-N 3.32Å; W548-S550 PolarHBondContact O-N 3.41Å; W548-V552 WeakPolarHBondContact O-CB 3.06Å; W548-V552 VanDerWaalsContact O-CG2 3.28Å; W548-V552 WeakPolarHBondContact O-CG2 3.45Å; W548-V552 PolarHBondContact O-N 3.37Å
549	I	85.2	Confident	80.5	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-59.7	-48.6	179.9	-67.3	170.5	0	0	0	109.8	L358 L412 L430 V542 H545 G546 P547 V552 T553 A556 L558	L358-I549 HydrophobicContact CD1-CD1 4.34Å; L358-I549 HydrophobicContact CD1-CG1 4.33Å; L358-I549 HydrophobicContact CD2-CD1 3.97Å; L412-I549 HydrophobicContact CD1-CB 4.45Å; L412-I549 HydrophobicContact CD1-CG2 4.27Å; L430-I549 HydrophobicContact CD1-CD1 4.13Å; L430-I549 HydrophobicContact CD1-CG2 3.62Å; V542-I549 HydrophobicContact CG1-CD1 3.72Å; H545-I549 HydrophobicContact CB-CD1 4.19Å; H545-I549 HydrophobicContact CB-CG1 4.38Å; H545-I549 WeakPolarHBondContact O-CG1 3.1Å; H545-I549 PolarHBondContact O-N 2.97Å; G546-I549 PolarHBondContact O-N 3.41Å; P547-I549 PolarHBondContact O-N 2.04Å; I549-V552 PolarHBondContact O-N 3.22Å; I549-T553 HydrophobicContact CG2-CG2 4.42Å; I549-T553 WeakPolarHBondContact O-CB 3.44Å; I549-T553 VanDerWaalsContact O-CG2 3.22Å; I549-T553 WeakPolarHBondContact O-CG2 3.05Å; I549-T553 PolarHBondContact O-N 2.94Å; I549-T553 PolarHBondContact O-OG1 2.96Å; I549-A556 HydrophobicContact CG2-CB 3.98Å; I549-L558 HydrophobicContact CG2-CD1 4.49Å
550	S	75.6	Confident	79.9	Confident	13 Å²	13	27.4 Å²	27.4	9%	0.091	15%	0.147	C	C	.	.	H	α-helix	trans	-77.7	-32.8	-172.3	-163.7	0	0	0	0	112	Q182 G546 P547 W548 V552 T553 Q554	Q182-S550 PolarHBondContact OE1-OG 3.12Å; G546-S550 WeakPolarHBondContact O-CB 3.32Å; G546-S550 PolarHBondContact O-N 3.43Å; P547-S550 PolarHBondContact O-N 3Å; W548-S550 VanDerWaalsContact C-N 3.32Å; W548-S550 PolarHBondContact O-N 3.41Å; S550-V552 PolarHBondContact O-N 3.44Å; S550-T553 WeakPolarHBondContact CA-OG1 3.5Å; S550-T553 PolarHBondContact O-N 3Å; S550-Q554 WeakPolarHBondContact O-CA 3.42Å; S550-Q554 PolarHBondContact O-N 3.47Å
551	H	75.6	Confident	78.9	Confident	73 Å²	73	25 Å²	25	34%	0.338	14%	0.137	S	C	.	.	H	α-helix	trans	-58.6	-46.4	169.8	-173.6	104.5	0	0	0	111.9	Q182 D185 P547	Q182-H551 VanDerWaalsContact NE2-N 3.13Å; D185-H551 IonicContact OD1-ND1 2.74Å; D185-H551 WeakPolarHBondContact OD2-CB 3.25Å; D185-H551 IonicContact OD2-CG 2.86Å; D185-H551 IonicContact OD2-ND1 3.9Å; D185-H551 PolarHBondContact OD2-ND1 3.45Å; P547-H551 WeakPolarHBondContact O-CB 3.43Å; P547-H551 PolarHBondContact O-N 2.94Å
552	V	79.4	Confident	77.3	Confident	18 Å²	18	26.3 Å²	26.3	11%	0.109	14%	0.144	C	C	.	.	H	α-helix	trans	-71.7	-32.4	179.9	170.7	0	0	0	0	112	W356 V397 L412 W548 I549 S550	W356-V552 HydrophobicContact CH2-CG1 3.74Å; W356-V552 WeakPolarHBondContact CH2-O 3.23Å; W356-V552 HydrophobicContact CZ2-CG1 4.42Å; W356-V552 WeakPolarHBondContact CZ2-O 2.95Å; W356-V552 HydrophobicContact CZ3-CG1 3.94Å; V397-V552 HydrophobicContact CB-CG1 3.87Å; V397-V552 HydrophobicContact CG1-CG1 3.94Å; V397-V552 HydrophobicContact CG1-CG2 3.94Å; V397-V552 HydrophobicContact CG2-CG1 3.85Å; L412-V552 HydrophobicContact CB-CG1 4.07Å; L412-V552 HydrophobicContact CD1-CB 3.75Å; L412-V552 HydrophobicContact CD1-CG1 3.61Å; W548-V552 WeakPolarHBondContact O-CB 3.06Å; W548-V552 VanDerWaalsContact O-CG2 3.28Å; W548-V552 WeakPolarHBondContact O-CG2 3.45Å; W548-V552 PolarHBondContact O-N 3.37Å; I549-V552 PolarHBondContact O-N 3.22Å; S550-V552 PolarHBondContact O-N 3.44Å
553	T	79.5	Confident	75.5	Confident	10 Å²	10	29.7 Å²	29.7	6%	0.061	16%	0.164	C	C	.	.	H	α-helix	trans	-96.8	-28.8	-172.5	58.5	0	0	0	0	115.6	W356 L412 I549 S550 G555 A556	W356-T553 HydrophobicContact CB-CG2 3.78Å; W356-T553 HydrophobicContact CD2-CG2 3.66Å; W356-T553 HydrophobicContact CE3-CG2 4.15Å; W356-T553 HydrophobicContact CG-CG2 3.49Å; W356-T553 VanDerWaalsContact CG-CG2 3.49Å; W356-T553 PolarHBondContact NE1-O 2.94Å; W356-T553 VanDerWaalsContact NE1-O 3.1Å; L412-T553 HydrophobicContact CD1-CG2 3.84Å; L412-T553 HydrophobicContact CD2-CG2 3.78Å; L412-T553 HydrophobicContact CG-CG2 4.4Å; I549-T553 HydrophobicContact CG2-CG2 4.42Å; I549-T553 WeakPolarHBondContact O-CB 3.44Å; I549-T553 VanDerWaalsContact O-CG2 3.22Å; I549-T553 WeakPolarHBondContact O-CG2 3.05Å; I549-T553 PolarHBondContact O-N 2.94Å; I549-T553 PolarHBondContact O-OG1 2.96Å; S550-T553 WeakPolarHBondContact CA-OG1 3.5Å; S550-T553 PolarHBondContact O-N 3Å; T553-G555 PolarHBondContact O-N 3.33Å; T553-G555 VanDerWaalsContact O-N 3.12Å; T553-A556 HydrophobicContact CG2-CB 4.17Å; T553-A556 WeakPolarHBondContact OG1-CB 3.22Å; T553-A556 PolarHBondContact OG1-N 3.19Å; T553-A556 VanDerWaalsContact OG1-N 3.09Å
554	Q	67.3	Low	74	Confident	145 Å²	145	30.9 Å²	30.9	68%	0.678	17%	0.169	S	C	*	.	S	Bend	trans	48.7	30.5	-173.5	-63.4	178.7	-36.8	0	0	113.8	S550	S550-Q554 WeakPolarHBondContact O-CA 3.42Å; S550-Q554 PolarHBondContact O-N 3.47Å
555	G	68.4	Low	71.9	Confident	25 Å²	25	34.3 Å²	34.3	26%	0.258	19%	0.185	S	C	.	.			trans	163.2	20	-170.5	0	0	0	0	0	115.4	S353 T553	S353-G555 WeakPolarHBondContact CB-O 3.38Å; T553-G555 PolarHBondContact O-N 3.33Å; T553-G555 VanDerWaalsContact O-N 3.12Å
556	A	77.6	Confident	69.6	Low	4 Å²	4	36.9 Å²	36.9	3%	0.033	19%	0.194	C	C	.	.			trans	-60.6	148	157.9	0	0	0	0	0	109.7	V352 L430 I549 T553 L558	V352-A556 HydrophobicContact CB-CB 4.4Å; V352-A556 HydrophobicContact CG2-CB 4.29Å; V352-A556 WeakPolarHBondContact O-CA 3.49Å; L430-A556 HydrophobicContact CD1-CB 4.17Å; I549-A556 HydrophobicContact CG2-CB 3.98Å; T553-A556 HydrophobicContact CG2-CB 4.17Å; T553-A556 WeakPolarHBondContact OG1-CB 3.22Å; T553-A556 PolarHBondContact OG1-N 3.19Å; T553-A556 VanDerWaalsContact OG1-N 3.09Å; A556-L558 HydrophobicContact CB-CD1 3.61Å; A556-L558 PolarHBondContact O-N 3.02Å
557	Y	81.1	Confident	67.5	Low	4 Å²	4	38.6 Å²	38.6	2%	0.016	21%	0.211	C	C	.	.			trans	-80.3	69.7	177	-74.8	-103.2	0	0	0	110	R235 E323 C324 V352 P427 L430	R235-Y557 VanDerWaalsContact NH1-CZ 3.28Å; R235-Y557 PolarHBondContact NH1-OH 2.78Å; E323-Y557 HydrophobicContact CB-CD1 4.2Å; E323-Y557 HydrophobicContact CB-CE1 3.62Å; E323-Y557 HydrophobicContact CG-CE1 4.37Å; E323-Y557 WeakPolarHBondContact OE2-CE1 3.38Å; C324-Y557 HydrophobicContact CB-CD1 4.01Å; C324-Y557 HydrophobicContact CB-CG 4Å; V352-Y557 WeakPolarHBondContact O-CD2 3.49Å; V352-Y557 PolarHBondContact O-N 3.38Å; P427-Y557 HydrophobicContact CB-CD2 4.15Å; P427-Y557 HydrophobicContact CG-CD2 3.64Å; P427-Y557 HydrophobicContact CG-CE2 3.76Å; P427-Y557 HydrophobicContact CG-CG 4.05Å; L430-Y557 PolarHBondContact N-O 3.48Å
558	L	77.6	Confident	65.3	Low	24 Å²	24	41.3 Å²	41.3	13%	0.126	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	132.9	161.5	-78.9	73.2	0	0	0	107.7	L430 I549 A556	L430-L558 HydrophobicContact CB-CD1 4.32Å; L430-L558 HydrophobicContact CB-CG 4.18Å; L430-L558 HydrophobicContact CD1-CD1 4.09Å; L430-L558 WeakPolarHBondContact O-CA 3.4Å; I549-L558 HydrophobicContact CG2-CD1 4.49Å; A556-L558 HydrophobicContact CB-CD1 3.61Å; A556-L558 PolarHBondContact O-N 3.02Å
559	E	76.2	Confident	63	Low	4 Å²	4	45.1 Å²	45.1	2%	0.019	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.7	-179.1	-61.4	-72.8	-177.9	0	0	108.3	R270 C324 C429 L430 H432 H435 F522	R270-E559 IonicContact CZ-OE1 3.23Å; R270-E559 IonicContact CZ-OE2 3.17Å; R270-E559 IonicContact NE-OE1 2.7Å; R270-E559 IonicContact NE-OE2 3.81Å; R270-E559 PolarHBondContact NE-OE2 2.71Å; R270-E559 IonicContact NH2-OE1 2.84Å; R270-E559 PolarHBondContact NH2-OE1 3.1Å; R270-E559 IonicContact NH2-OE2 3.98Å; R270-E559 PolarHBondContact NH2-OE2 3.22Å; C324-E559 WeakPolarHBondContact SG-CG 3.34Å; C324-E559 PolarHBondContact SG-OE1 2.99Å; C429-E559 HydrophobicContact CB-CB 4.35Å; C429-E559 HydrophobicContact CB-CG 3.77Å; L430-E559 PolarHBondContact O-N 2.91Å; H432-E559 PolarHBondContact N-O 3.32Å; H435-E559 PolarHBondContact CE1-O 3.33Å; F522-E559 HydrophobicContact CE1-CB 3.75Å; F522-E559 HydrophobicContact CZ-CB 4.16Å
560	D	68.6	Low	60.7	Low	20 Å²	20	46.7 Å²	46.7	11%	0.107	27%	0.269	C	S	.	.			trans	-71.6	171.9	168.9	55.6	-57.8	0	0	0	111.7	R270 H435 L562	R270-D560 WeakPolarHBondContact CB-OD1 3.37Å; R270-D560 PolarHBondContact N-OD1 2.91Å; H435-D560 VanDerWaalsContact CE1-CA 3.46Å; H435-D560 WeakPolarHBondContact CE1-CA 3.36Å; H435-D560 PolarHBondContact CE1-O 3.43Å; D560-L562 WeakPolarHBondContact O-CD2 3.45Å; D560-L562 PolarHBondContact O-N 2.9Å
561	Q	66.1	Low	58.9	Low	9 Å²	9	53.9 Å²	53.9	4%	0.042	30%	0.301	C	S	.	.			trans	-71.9	121.3	-170.2	-176.2	-175.2	68.1	0	0	110.6	P215 H435 Y436 W564	P215-Q561 HydrophobicContact CB-CB 3.96Å; P215-Q561 HydrophobicContact CB-CG 4.27Å; P215-Q561 VanDerWaalsContact CB-OE1 3.25Å; P215-Q561 HydrophobicContact CG-CB 4.36Å; H435-Q561 WeakPolarHBondContact CE1-CA 3.09Å; H435-Q561 PolarHBondContact CE1-N 3.27Å; Y436-Q561 PolarHBondContact O-NE2 2.92Å; Q561-W564 VanDerWaalsContact CD-CE2 3.4Å; Q561-W564 HydrophobicContact CG-CG 4.2Å; Q561-W564 VanDerWaalsContact CG-NE1 3.28Å; Q561-W564 VanDerWaalsContact NE2-CZ2 3.25Å
562	L	54.6	Low	57.2	Low	30 Å²	30	55.6 Å²	55.6	16%	0.157	31%	0.309	C	S	.	.			trans	-70.7	-44.6	-151.1	-63.1	-179.5	0	0	0	115.3	P322 E518 T520 F522 D560	P322-L562 HydrophobicContact CG-CD1 3.94Å; P322-L562 HydrophobicContact CG-CD2 3.4Å; P322-L562 HydrophobicContact CG-CG 4.35Å; E518-L562 HydrophobicContact CB-CD1 4.17Å; E518-L562 HydrophobicContact CG-CB 4.28Å; T520-L562 HydrophobicContact CG2-CD1 4.26Å; F522-L562 HydrophobicContact CE2-CD1 3.79Å; F522-L562 HydrophobicContact CE2-CG 4.22Å; F522-L562 HydrophobicContact CZ-CD1 3.88Å; F522-L562 HydrophobicContact CZ-CD2 4.18Å; F522-L562 HydrophobicContact CZ-CG 3.87Å; D560-L562 WeakPolarHBondContact O-CD2 3.45Å; D560-L562 PolarHBondContact O-N 2.9Å
563	T	52.3	Low	55.2	Low	73 Å²	73	60.7 Å²	60.7	45%	0.448	34%	0.341	S	S	.	.			trans	-156.1	128.8	169.3	45	0	0	0	0	109.1	E518	E518-T563 WeakPolarHBondContact OE2-CG2 2.67Å; E518-T563 PolarHBondContact OE2-OG1 2.76Å
564	W	52	Low	53.3	Low	25 Å²	25	68 Å²	68	10%	0.095	37%	0.374	C	S	.	.			trans	-131.8	128.8	171	-89.5	53.1	0	0	0	110.5	Y436 L438 Q561 W566	Y436-W564 AromaticContact CD1-CH2 3.58Å; Y436-W564 HydrophobicContact CD1-CH2 3.58Å; Y436-W564 AromaticContact CD1-CZ2 3.81Å; Y436-W564 HydrophobicContact CD1-CZ2 3.81Å; Y436-W564 HydrophobicContact CE1-CH2 4.13Å; Y436-W564 HydrophobicContact CG-CH2 4.47Å; Y436-W564 WeakPolarHBondContact O-CZ2 3.18Å; L438-W564 HydrophobicContact CB-CZ2 4.49Å; L438-W564 HydrophobicContact CD1-CZ2 4.34Å; L438-W564 HydrophobicContact CD2-CD2 4.32Å; L438-W564 HydrophobicContact CD2-CE3 4.15Å; L438-W564 HydrophobicContact CD2-CH2 3.3Å; L438-W564 HydrophobicContact CD2-CZ2 3.42Å; L438-W564 VanDerWaalsContact CD2-CZ2 3.42Å; L438-W564 HydrophobicContact CD2-CZ3 3.65Å; L438-W564 HydrophobicContact CG-CD2 4.47Å; L438-W564 HydrophobicContact CG-CH2 3.89Å; L438-W564 HydrophobicContact CG-CZ2 3.42Å; L438-W564 VanDerWaalsContact CG-CZ2 3.42Å; Q561-W564 VanDerWaalsContact CD-CE2 3.4Å; Q561-W564 HydrophobicContact CG-CG 4.2Å; Q561-W564 VanDerWaalsContact CG-NE1 3.28Å; Q561-W564 VanDerWaalsContact NE2-CZ2 3.25Å; W564-W566 HydrophobicContact CD2-CZ2 4.28Å; W564-W566 AromaticContact CE3-CD1 3.89Å; W564-W566 AromaticContact CE3-CD2 3.37Å; W564-W566 HydrophobicContact CE3-CD2 3.37Å; W564-W566 AromaticContact CE3-CE2 3.25Å; W564-W566 AromaticContact CE3-CE3 3.83Å; W564-W566 HydrophobicContact CE3-CE3 3.83Å; W564-W566 AromaticContact CE3-CG 3.77Å; W564-W566 HydrophobicContact CE3-CG 3.77Å; W564-W566 HydrophobicContact CE3-CH2 4.03Å; W564-W566 AromaticContact CE3-CZ2 3.6Å; W564-W566 HydrophobicContact CE3-CZ2 3.6Å; W564-W566 HydrophobicContact CE3-CZ3 4.13Å; W564-W566 AromaticContact CE3-NE1 3.58Å; W564-W566 AromaticContact CH2-CH2 3.94Å; W564-W566 HydrophobicContact CH2-CH2 3.94Å; W564-W566 HydrophobicContact CH2-CZ2 4.18Å; W564-W566 HydrophobicContact CH2-CZ3 4.14Å; W564-W566 AromaticContact CZ3-CD2 3.55Å; W564-W566 HydrophobicContact CZ3-CD2 3.55Å; W564-W566 AromaticContact CZ3-CE2 3.58Å; W564-W566 AromaticContact CZ3-CE3 3.46Å; W564-W566 HydrophobicContact CZ3-CE3 3.46Å; W564-W566 VanDerWaalsContact CZ3-CE3 3.46Å; W564-W566 HydrophobicContact CZ3-CG 4.35Å; W564-W566 AromaticContact CZ3-CH2 3.47Å; W564-W566 HydrophobicContact CZ3-CH2 3.47Å; W564-W566 VanDerWaalsContact CZ3-CH2 3.47Å; W564-W566 AromaticContact CZ3-CZ2 3.56Å; W564-W566 HydrophobicContact CZ3-CZ2 3.56Å; W564-W566 AromaticContact CZ3-CZ3 3.43Å; W564-W566 HydrophobicContact CZ3-CZ3 3.43Å; W564-W566 VanDerWaalsContact CZ3-CZ3 3.43Å
565	D	40.6	Very low	52.1	Low	140 Å²	140	66.3 Å²	66.3	75%	0.749	37%	0.373	S	S	*	.			trans	-103.7	106.8	151	-178.4	-0.6	0	0	0	105.5	G567	D565-G567 PolarHBondContact O-N 3.22Å; D565-G567 PolarHBondContact OD1-N 3.09Å
566	W	37.8	Very low	51.1	Low	69 Å²	69	68.3 Å²	68.3	26%	0.261	38%	0.376	S	S	.	.			trans	-68	-11.2	179.6	-70.1	74	0	0	0	112.3	P215 P485 W564 G570	P215-W566 PolarHBondContact O-NE1 2.94Å; P485-W566 HydrophobicContact CB-CZ3 3.92Å; W564-W566 HydrophobicContact CD2-CZ2 4.28Å; W564-W566 AromaticContact CE3-CD1 3.89Å; W564-W566 AromaticContact CE3-CD2 3.37Å; W564-W566 HydrophobicContact CE3-CD2 3.37Å; W564-W566 AromaticContact CE3-CE2 3.25Å; W564-W566 AromaticContact CE3-CE3 3.83Å; W564-W566 HydrophobicContact CE3-CE3 3.83Å; W564-W566 AromaticContact CE3-CG 3.77Å; W564-W566 HydrophobicContact CE3-CG 3.77Å; W564-W566 HydrophobicContact CE3-CH2 4.03Å; W564-W566 AromaticContact CE3-CZ2 3.6Å; W564-W566 HydrophobicContact CE3-CZ2 3.6Å; W564-W566 HydrophobicContact CE3-CZ3 4.13Å; W564-W566 AromaticContact CE3-NE1 3.58Å; W564-W566 AromaticContact CH2-CH2 3.94Å; W564-W566 HydrophobicContact CH2-CH2 3.94Å; W564-W566 HydrophobicContact CH2-CZ2 4.18Å; W564-W566 HydrophobicContact CH2-CZ3 4.14Å; W564-W566 AromaticContact CZ3-CD2 3.55Å; W564-W566 HydrophobicContact CZ3-CD2 3.55Å; W564-W566 AromaticContact CZ3-CE2 3.58Å; W564-W566 AromaticContact CZ3-CE3 3.46Å; W564-W566 HydrophobicContact CZ3-CE3 3.46Å; W564-W566 VanDerWaalsContact CZ3-CE3 3.46Å; W564-W566 HydrophobicContact CZ3-CG 4.35Å; W564-W566 AromaticContact CZ3-CH2 3.47Å; W564-W566 HydrophobicContact CZ3-CH2 3.47Å; W564-W566 VanDerWaalsContact CZ3-CH2 3.47Å; W564-W566 AromaticContact CZ3-CZ2 3.56Å; W564-W566 HydrophobicContact CZ3-CZ2 3.56Å; W564-W566 AromaticContact CZ3-CZ3 3.43Å; W564-W566 HydrophobicContact CZ3-CZ3 3.43Å; W564-W566 VanDerWaalsContact CZ3-CZ3 3.43Å; W566-G570 PolarHBondContact O-N 3.29Å
567	G	35.9	Very low	49.5	Very low	39 Å²	39	72.3 Å²	72.3	40%	0.402	40%	0.4	S	S	.	.			trans	61.8	-167.5	-168.5	0	0	0	0	0	112.3	D565 D569	D565-G567 PolarHBondContact O-N 3.22Å; D565-G567 PolarHBondContact OD1-N 3.09Å; G567-D569 PolarHBondContact O-N 2.6Å
568	P	33.9	Very low	47.4	Very low	105 Å²	105	72.4 Å²	72.4	68%	0.682	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-72.6	-15.1	170.1	32.7	-35.2	0	0	0	112.6	G570	P568-G570 PolarHBondContact O-N 2.78Å
569	D	37.5	Very low	45.5	Very low	117 Å²	117	74 Å²	74	63%	0.626	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-78	-5.8	-175	-53.3	-61.8	0	0	0	112.9	G567 E571	G567-D569 PolarHBondContact O-N 2.6Å; D569-E571 PolarHBondContact O-N 3.43Å
570	G	37.7	Very low	43.7	Very low	34 Å²	34	77.3 Å²	77.3	35%	0.351	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-69.7	-7.3	170.3	0	0	0	0	0	115.3	W566 P568 E572	W566-G570 PolarHBondContact O-N 3.29Å; P568-G570 PolarHBondContact O-N 2.78Å; G570-E572 VanDerWaalsContact C-N 3.32Å; G570-E572 PolarHBondContact O-N 2.74Å
571	E	37.2	Very low	42.1	Very low	163 Å²	163	79.5 Å²	79.5	76%	0.762	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-88.3	21	177.2	-68.2	-165.4	142.3	0	0	114.2	D569 T573	D569-E571 PolarHBondContact O-N 3.43Å; E571-T573 PolarHBondContact O-N 2.88Å; E571-T573 PolarHBondContact O-OG1 2.98Å
572	E	39.3	Very low	40.6	Very low	109 Å²	109	81.1 Å²	81.1	51%	0.509	45%	0.454	S	S	.	.			trans	-66.9	77.6	171	-74.2	-155.5	153.7	0	0	112	P485 G570 Q576	P485-E572 HydrophobicContact CG-CB 4.3Å; G570-E572 VanDerWaalsContact C-N 3.32Å; G570-E572 PolarHBondContact O-N 2.74Å; E572-Q576 PolarHBondContact OE2-NE2 2.87Å
573	T	37.8	Very low	39.6	Very low	126 Å²	126	88.4 Å²	88.4	77%	0.773	49%	0.487	S	S	*	.			trans	-88.5	1.1	-176.9	45.4	0	0	0	0	114	E571	E571-T573 PolarHBondContact O-N 2.88Å; E571-T573 PolarHBondContact O-OG1 2.98Å
574	E	39.9	Very low	38.9	Very low	164 Å²	164	90.5 Å²	90.5	77%	0.766	49%	0.492	S	S	*	.	S	Bend	trans	-88.8	132.9	177.1	-66.5	-161.6	150.9	0	0	111.9	Q576	E574-Q576 PolarHBondContact O-N 2.76Å
575	T	42.7	Very low	38.5	Very low	108 Å²	108	91.7 Å²	91.7	66%	0.663	51%	0.512	S	S	*	.			trans	-69.6	91.5	177.8	54.2	0	0	0	0	111.3
576	Q	46	Very low	38.6	Very low	68 Å²	68	86.8 Å²	86.8	32%	0.318	49%	0.49	S	S	.	.			trans	-64.7	139.9	175.7	-62.5	-179.9	12.2	0	0	110.6	V482 E572 E574	V482-Q576 PolarHBondContact N-O 3.18Å; E572-Q576 PolarHBondContact OE2-NE2 2.87Å; E574-Q576 PolarHBondContact O-N 2.76Å
577	T	44	Very low	38.9	Very low	88 Å²	88	84.2 Å²	84.2	54%	0.54	48%	0.483	S	S	.	.	B	Isolated β-bridge	trans	-116.3	148.5	177.9	49.1	0	0	0	0	110.6	A480	A480-T577 WeakPolarHBondContact O-CA 3.26Å
578	C	38.1	Very low	39.4	Very low	5 Å²	5	84 Å²	84	3%	0.034	48%	0.48	C	S	.	.			trans	-62.1	127.3	179.1	-62.8	0	0	0	0	110.7	H472 C473 A480	H472-C578 VanDerWaalsContact CD2-SG 3.55Å; C473-C578 VanDerWaalsContact SG-SG 3.62Å; A480-C578 PolarHBondContact O-N 3.19Å
579	P	37.4	Very low	39.7	Very low	58 Å²	58	81.3 Å²	81.3	38%	0.377	46%	0.46	S	S	.	.			trans	-59	154.4	171.1	27.5	-33.1	0	0	0	109.4	W469 C473 H581	W469-P579 HydrophobicContact CZ2-CG 4.35Å; C473-P579 VanDerWaalsContact SG-CD 3.6Å; P579-H581 PolarHBondContact O-N 2.94Å
580	T	39	Very low	39.8	Very low	73 Å²	73	85.8 Å²	85.8	45%	0.448	47%	0.468	S	S	.	.			trans	-63.7	109	-170.5	53.6	0	0	0	0	111.7	T582 L589	T580-T582 PolarHBondContact O-N 2.82Å; T580-L589 WeakPolarHBondContact OG1-CD2 3.41Å
581	H	34.9	Very low	39.8	Very low	66 Å²	66	86.1 Å²	86.1	31%	0.306	46%	0.464	S	S	.	.			trans	-53.7	104	169.5	-77	-92.7	0	0	0	109.9	C473 Q478 P579	C473-H581 PolarHBondContact O-CE1 3.28Å; C473-H581 PolarHBondContact O-NE2 2.98Å; Q478-H581 HydrophobicContact CB-CB 4.39Å; P579-H581 PolarHBondContact O-N 2.94Å
582	T	34.7	Very low	39.9	Very low	43 Å²	43	86.9 Å²	86.9	26%	0.264	47%	0.468	S	S	.	.			trans	-87.8	153.6	159.4	92.5	0	0	0	0	107.9	T580 H584 G585 C587	T580-T582 PolarHBondContact O-N 2.82Å; T582-H584 PolarHBondContact O-N 3.48Å; T582-H584 PolarHBondContact OG1-N 3.03Å; T582-H584 VanDerWaalsContact OG1-N 3.1Å; T582-G585 PolarHBondContact OG1-N 2.86Å; T582-G585 PolarHBondContact OG1-O 3.13Å; T582-C587 WeakPolarHBondContact CG2-O 3.33Å; T582-C587 PolarHBondContact OG1-O 3.43Å
583	Q	33.2	Very low	39.8	Very low	184 Å²	184	86.6 Å²	86.6	86%	0.86	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	3.6	175.3	-64.4	-179.1	-9.2	0	0	112.9
584	H	36.6	Very low	39.8	Very low	117 Å²	117	83.2 Å²	83.2	54%	0.542	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.7	17.1	-168.4	-49.2	-40.6	0	0	0	112.9	T582	T582-H584 PolarHBondContact O-N 3.48Å; T582-H584 PolarHBondContact OG1-N 3.03Å; T582-H584 VanDerWaalsContact OG1-N 3.1Å
585	G	44.6	Very low	39.9	Very low	50 Å²	50	80.1 Å²	80.1	52%	0.515	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	-142.6	179.5	0	0	0	0	0	113.5	T582 C587	T582-G585 PolarHBondContact OG1-N 2.86Å; T582-G585 PolarHBondContact OG1-O 3.13Å; G585-C587 PolarHBondContact O-N 2.85Å; G585-C587 VanDerWaalsContact O-N 3.13Å
586	A	42.1	Very low	39.6	Very low	36 Å²	36	82.8 Å²	82.8	30%	0.298	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-6.5	-177.6	0	0	0	0	0	114.5	G588 L589	A586-G588 PolarHBondContact O-N 3.26Å; A586-L589 HydrophobicContact CB-CD1 4.2Å; A586-L589 PolarHBondContact O-N 3.2Å
587	C	45.5	Very low	39.5	Very low	15 Å²	15	81 Å²	81	10%	0.101	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	127.6	178.8	-95	0	0	0	0	112.5	T582 G585 C698 H810	T582-C587 WeakPolarHBondContact CG2-O 3.33Å; T582-C587 PolarHBondContact OG1-O 3.43Å; G585-C587 PolarHBondContact O-N 2.85Å; G585-C587 VanDerWaalsContact O-N 3.13Å; C587-C698 WeakPolarHBondContact CA-SG 3.2Å; C587-C698 HydrophobicContact CB-CB 4.47Å; C587-C698 WeakPolarHBondContact CB-SG 2.98Å; C587-C698 VanDerWaalsContact SG-CA 3.59Å; C587-C698 WeakPolarHBondContact SG-CB 3.25Å; C587-C698 CovalentContact SG-SG 2.04Å; C587-C698 PolarHBondContact SG-SG 3.11Å; C587-H810 PolarHBondContact SG-CD2 3.39Å
588	G	44.6	Very low	39.4	Very low	34 Å²	34	80.7 Å²	80.7	35%	0.351	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.5	0.9	179.2	0	0	0	0	0	115.4	A586 R590 S777	A586-G588 PolarHBondContact O-N 3.26Å; G588-R590 PolarHBondContact O-N 2.96Å; G588-R590 VanDerWaalsContact O-N 3.11Å; G588-S777 WeakPolarHBondContact CA-OG 3.42Å
589	L	40.2	Very low	39.9	Very low	50 Å²	50	81.3 Å²	81.3	26%	0.262	48%	0.48	S	S	.	.			trans	-59.8	116.7	168.8	-72.6	171.4	0	0	0	109.9	T580 A586 P591 L695	T580-L589 WeakPolarHBondContact OG1-CD2 3.41Å; A586-L589 HydrophobicContact CB-CD1 4.2Å; A586-L589 PolarHBondContact O-N 3.2Å; L589-P591 VanDerWaalsContact O-CD 3.25Å; L589-P591 WeakPolarHBondContact O-CD 3.34Å; L589-L695 HydrophobicContact CD1-CD1 3.75Å; L589-L695 HydrophobicContact CD1-CD2 4.48Å
590	R	40.5	Very low	41.1	Very low	210 Å²	210	80.9 Å²	80.9	79%	0.792	47%	0.471	S	S	*	.			trans	-76.4	112.1	177.9	-177.7	-176.5	-171	175.2	3.7	108.4	G588 E592	G588-R590 PolarHBondContact O-N 2.96Å; G588-R590 VanDerWaalsContact O-N 3.11Å; R590-E592 PolarHBondContact O-N 2.83Å
591	P	38.7	Very low	42.2	Very low	42 Å²	42	78.3 Å²	78.3	27%	0.273	46%	0.455	S	S	.	.			trans	-63.4	127.3	167.2	29	-34.4	0	0	0	107.8	L589 W602	L589-P591 VanDerWaalsContact O-CD 3.25Å; L589-P591 WeakPolarHBondContact O-CD 3.34Å; P591-W602 HydrophobicContact CG-CH2 3.95Å
592	E	38.4	Very low	44	Very low	178 Å²	178	75.8 Å²	75.8	83%	0.832	44%	0.443	S	S	*	.			trans	-64.8	164	165	-63.2	-148.9	131.9	0	0	109.9	R590 A594	R590-E592 PolarHBondContact O-N 2.83Å; E592-A594 PolarHBondContact O-N 3.43Å
593	A	37.4	Very low	45.9	Very low	104 Å²	104	73.9 Å²	73.9	86%	0.86	43%	0.431	S	S	*	.			trans	-68.3	94.9	-176.3	0	0	0	0	0	110.3
594	A	37.2	Very low	48.2	Very low	55 Å²	55	65.2 Å²	65.2	46%	0.455	39%	0.391	S	S	.	.			trans	-46.1	119.5	-176.9	0	0	0	0	0	112	E592 V598	E592-A594 PolarHBondContact O-N 3.43Å; A594-V598 HydrophobicContact CB-CB 4.19Å
595	P	42.7	Very low	50.3	Low	99 Å²	99	59.8 Å²	59.8	64%	0.643	37%	0.366	S	S	*	.			trans	-62.9	156.4	167.4	28	-33.3	0	0	0	109.7	G597 V598	P595-G597 PolarHBondContact O-N 2.72Å; P595-V598 HydrophobicContact CG-CG2 4.27Å; P595-V598 PolarHBondContact O-N 2.78Å
596	V	36.5	Very low	52.3	Low	164 Å²	164	57.4 Å²	57.4	99%	0.994	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	105.2	-171.9	-177.8	0	0	0	0	110.8
597	G	43.3	Very low	54.3	Low	31 Å²	31	58 Å²	58	32%	0.32	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	140.7	-23.9	177.9	0	0	0	0	0	114.9	P595 A649	P595-G597 PolarHBondContact O-N 2.72Å; G597-A649 WeakPolarHBondContact O-CB 3.34Å
598	V	43	Very low	55.9	Low	80 Å²	80	57.6 Å²	57.6	49%	0.485	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-86.8	132.8	-176.2	-173.1	0	0	0	0	111.6	A594 P595	A594-V598 HydrophobicContact CB-CB 4.19Å; P595-V598 HydrophobicContact CG-CG2 4.27Å; P595-V598 PolarHBondContact O-N 2.78Å
599	L	48.4	Very low	57.1	Low	19 Å²	19	57.8 Å²	57.8	10%	0.099	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-82	155.5	172	-70.5	-176.2	0	0	0	112.5	L603 R648 W715 P723	L599-L603 HydrophobicContact CD2-CD2 4.45Å; L599-R648 HydrophobicContact CD1-CB 3.86Å; L599-R648 WeakPolarHBondContact CD1-O 3.28Å; L599-R648 WeakPolarHBondContact CG-O 3.22Å; L599-W715 HydrophobicContact CD1-CH2 3.93Å; L599-W715 HydrophobicContact CD2-CH2 3.63Å; L599-W715 HydrophobicContact CD2-CZ3 3.65Å; L599-W715 HydrophobicContact CG-CH2 4.48Å; L599-P723 HydrophobicContact CD2-CB 3.67Å; L599-P723 HydrophobicContact CD2-CG 3.82Å
600	W	62.3	Low	58.1	Low	49 Å²	49	57.7 Å²	57.7	19%	0.186	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-65.9	135.3	170.9	-59.8	-78.1	0	0	0	110.7	W602 L603 L713 P723 A725	W600-W602 HydrophobicContact CB-CZ2 4.31Å; W600-W602 PolarHBondContact O-N 2.99Å; W600-L603 HydrophobicContact CB-CB 4.41Å; W600-L603 HydrophobicContact CE3-CD2 3.92Å; W600-L603 HydrophobicContact CZ3-CD2 4.31Å; W600-L603 WeakPolarHBondContact O-CB 3.49Å; W600-L603 PolarHBondContact O-N 2.82Å; W600-L713 HydrophobicContact CD2-CD1 3.87Å; W600-L713 HydrophobicContact CE3-CB 4.45Å; W600-L713 HydrophobicContact CE3-CD1 4.01Å; W600-L713 HydrophobicContact CG-CD1 4.33Å; W600-L713 HydrophobicContact CH2-CB 4.42Å; W600-L713 HydrophobicContact CH2-CD1 4.46Å; W600-L713 HydrophobicContact CH2-CD2 3.91Å; W600-L713 HydrophobicContact CH2-CG 4.5Å; W600-L713 HydrophobicContact CZ2-CD1 4.34Å; W600-L713 HydrophobicContact CZ2-CD2 3.91Å; W600-L713 HydrophobicContact CZ3-CB 4.1Å; W600-L713 HydrophobicContact CZ3-CD1 4.29Å; W600-L713 HydrophobicContact CZ3-CD2 4.4Å; W600-P723 HydrophobicContact CE3-CB 4.48Å; W600-P723 HydrophobicContact CH2-CB 4.11Å; W600-P723 HydrophobicContact CZ3-CB 3.74Å; W600-A725 HydrophobicContact CH2-CB 4.33Å; W600-A725 HydrophobicContact CZ2-CB 4.2Å
601	P	62	Low	59.3	Low	18 Å²	18	55.7 Å²	55.7	12%	0.117	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-20	-166.9	-25.8	36.7	0	0	0	115.4	P692 A694 L695	P601-P692 WeakPolarHBondContact CG-O 3.34Å; P601-A694 CarbonylContact O-C 3.53Å; P601-A694 WeakPolarHBondContact O-CA 3.45Å; P601-L695 HydrophobicContact CB-CB 3.89Å; P601-L695 HydrophobicContact CB-CD1 4.03Å; P601-L695 HydrophobicContact CB-CG 3.86Å; P601-L695 HydrophobicContact CG-CD1 4.33Å; P601-L695 PolarHBondContact O-N 2.95Å
602	W	72.8	Confident	61.1	Low	13 Å²	13	58.1 Å²	58.1	5%	0.049	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-8.3	176.6	41.5	77.1	0	0	0	114	P591 W600 I617 L618 L695 I697 L770 W778	P591-W602 HydrophobicContact CG-CH2 3.95Å; W600-W602 HydrophobicContact CB-CZ2 4.31Å; W600-W602 PolarHBondContact O-N 2.99Å; W602-I617 CarbonylContact O-C 3.53Å; W602-I617 WeakPolarHBondContact O-CA 3.25Å; W602-L618 PolarHBondContact O-N 2.9Å; W602-L695 WeakPolarHBondContact CA-O 3.29Å; W602-L695 VanDerWaalsContact CB-O 3.3Å; W602-L695 WeakPolarHBondContact CB-O 3.22Å; W602-I697 HydrophobicContact CB-CB 3.92Å; W602-I697 HydrophobicContact CD2-CB 4.41Å; W602-I697 HydrophobicContact CD2-CD1 4.03Å; W602-I697 HydrophobicContact CD2-CG1 4.39Å; W602-I697 HydrophobicContact CG-CB 4.1Å; W602-I697 HydrophobicContact CG-CD1 4Å; W602-I697 HydrophobicContact CG-CG1 4.43Å; W602-L770 HydrophobicContact CZ2-CD2 4.45Å; W602-W778 HydrophobicContact CH2-CB 3.97Å; W602-W778 AromaticContact CH2-CD1 3.79Å; W602-W778 AromaticContact CH2-CG 3.85Å; W602-W778 HydrophobicContact CH2-CG 3.85Å; W602-W778 HydrophobicContact CZ2-CB 4.05Å; W602-W778 HydrophobicContact CZ2-CD2 4.26Å; W602-W778 AromaticContact CZ2-CG 3.89Å; W602-W778 HydrophobicContact CZ2-CG 3.89Å
603	L	74.2	Confident	63	Low	4 Å²	4	51.3 Å²	51.3	2%	0.021	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	126.1	-173.6	-165.5	71	0	0	0	111.6	L599 W600 T615 I617 W715 P768	L599-L603 HydrophobicContact CD2-CD2 4.45Å; W600-L603 HydrophobicContact CB-CB 4.41Å; W600-L603 HydrophobicContact CE3-CD2 3.92Å; W600-L603 HydrophobicContact CZ3-CD2 4.31Å; W600-L603 WeakPolarHBondContact O-CB 3.49Å; W600-L603 PolarHBondContact O-N 2.82Å; L603-T615 HydrophobicContact CD1-CG2 3.41Å; L603-T615 VanDerWaalsContact CD1-CG2 3.41Å; L603-T615 HydrophobicContact CG-CG2 4.31Å; L603-I617 HydrophobicContact CD1-CD1 3.85Å; L603-W715 HydrophobicContact CD2-CH2 3.85Å; L603-W715 HydrophobicContact CD2-CZ2 3.79Å; L603-W715 HydrophobicContact CG-CZ2 4.44Å; L603-P768 HydrophobicContact CD1-CG 4.22Å
604	A	81.3	Confident	65.2	Low	1 Å²	1	46.4 Å²	46.4	1%	0.008	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	138.9	-179	0	0	0	0	0	112.1	G616 V624 V644 Y645 L646	A604-G616 PolarHBondContact N-O 3.06Å; A604-G616 PolarHBondContact O-N 2.84Å; A604-V624 HydrophobicContact CB-CG1 4.09Å; A604-V644 HydrophobicContact CB-CG1 3.73Å; A604-Y645 WeakPolarHBondContact CA-O 3.33Å; A604-L646 HydrophobicContact CB-CD2 3.68Å; A604-L646 HydrophobicContact CB-CG 4.19Å
605	E	81.1	Confident	67.4	Low	4 Å²	4	43.8 Å²	43.8	2%	0.019	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	113.7	165.8	-68.1	-176.7	178.4	0	0	109.2	H607 V613 V644 Y645 R648 W715	E605-H607 IonicContact OE2-NE2 3.5Å; E605-V613 HydrophobicContact CB-CG1 4.18Å; E605-V613 HydrophobicContact CG-CG1 4.48Å; E605-V644 WeakPolarHBondContact O-CA 3.23Å; E605-Y645 PolarHBondContact N-O 3Å; E605-Y645 PolarHBondContact O-N 3.41Å; E605-R648 VanDerWaalsContact CD-CD 3.48Å; E605-R648 VanDerWaalsContact OE1-CD 3.24Å; E605-R648 WeakPolarHBondContact OE1-CD 3.25Å; E605-R648 IonicContact OE1-NH1 2.77Å; E605-R648 WeakPolarHBondContact OE2-CD 3.26Å; E605-R648 IonicContact OE2-CZ 2.76Å; E605-R648 IonicContact OE2-NE 2.69Å; E605-R648 IonicContact OE2-NH1 3.48Å; E605-R648 PolarHBondContact OE2-NH1 2.78Å; E605-W715 HydrophobicContact CG-CH2 4.19Å; E605-W715 HydrophobicContact CG-CZ2 3.85Å
606	V	85.6	Confident	69.6	Low	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	99.4	-178.9	-178.3	0	0	0	0	108.8	V608 C614 V624 V631 I642 V644 L682	V606-V608 HydrophobicContact CG1-CG2 4.24Å; V606-C614 HydrophobicContact CB-CB 4.12Å; V606-C614 WeakPolarHBondContact CB-O 3.35Å; V606-C614 PolarHBondContact N-O 3.37Å; V606-C614 PolarHBondContact O-N 2.87Å; V606-V624 HydrophobicContact CG2-CG1 4.3Å; V606-V631 HydrophobicContact CG1-CG1 3.86Å; V606-I642 HydrophobicContact CG1-CG2 3.48Å; V606-I642 VanDerWaalsContact CG1-CG2 3.48Å; V606-V644 HydrophobicContact CG1-CG2 4.39Å; V606-V644 HydrophobicContact CG2-CG1 4.33Å; V606-V644 HydrophobicContact CG2-CG2 4.22Å; V606-L682 HydrophobicContact CG1-CD1 3.69Å; V606-L682 HydrophobicContact CG2-CD1 4.05Å
607	H	84.1	Confident	71.9	Confident	49 Å²	49	31.3 Å²	31.3	23%	0.227	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	122.5	179.3	-80.1	-142.6	0	0	0	110.6	E605 I642 E643 Y645	E605-H607 IonicContact OE2-NE2 3.5Å; H607-I642 VanDerWaalsContact O-CA 3.27Å; H607-I642 WeakPolarHBondContact O-CA 3.43Å; H607-I642 WeakPolarHBondContact O-CG2 3.45Å; H607-E643 WeakPolarHBondContact CB-O 3.27Å; H607-E643 PolarHBondContact N-O 3.04Å; H607-E643 PolarHBondContact O-N 2.97Å; H607-E643 VanDerWaalsContact O-N 3.16Å; H607-Y645 HydrophobicContact CB-CE2 4.22Å; H607-Y645 AromaticContact CD2-CD2 3.76Å; H607-Y645 AromaticContact CD2-CE2 3.9Å; H607-Y645 AromaticContact CE1-CE2 3.92Å; H607-Y645 AromaticContact CG-CE2 3.7Å; H607-Y645 AromaticContact ND1-CE2 3.7Å; H607-Y645 AromaticContact NE2-CD2 3.99Å
608	V	79.9	Confident	73.9	Confident	5 Å²	5	29.9 Å²	29.9	3%	0.03	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.3	-175.8	-173.9	0	0	0	0	110.2	V606 G610 R612 V631 P640 I642	V606-V608 HydrophobicContact CG1-CG2 4.24Å; V608-G610 PolarHBondContact O-N 2.89Å; V608-R612 PolarHBondContact N-O 2.95Å; V608-R612 PolarHBondContact O-N 3.48Å; V608-V631 HydrophobicContact CG2-CB 4.45Å; V608-V631 HydrophobicContact CG2-CG1 4.27Å; V608-P640 HydrophobicContact CG1-CG 4.49Å; V608-I642 HydrophobicContact CG1-CG1 4.4Å; V608-I642 HydrophobicContact CG2-CD1 4.47Å; V608-I642 HydrophobicContact CG2-CG1 4.36Å
609	A	69.1	Low	75.8	Confident	39 Å²	39	26.2 Å²	26.2	32%	0.322	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-38.7	123.6	-177.7	0	0	0	0	0	114.7	R633 P640 Y641	A609-R633 PolarHBondContact O-NE 2.84Å; A609-R633 PolarHBondContact O-NH2 2.04Å; A609-P640 HydrophobicContact CB-CB 4.17Å; A609-Y641 PolarHBondContact N-O 3.18Å
610	G	61.6	Low	77.1	Confident	48 Å²	48	25.3 Å²	25.3	50%	0.495	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	46.8	-171	0	0	0	0	0	113.2	V608 R612	V608-G610 PolarHBondContact O-N 2.89Å; G610-R612 PolarHBondContact O-N 3.2Å
611	D	66.2	Low	77.7	Confident	168 Å²	168	24.2 Å²	24.2	90%	0.898	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	26.9	167	-50	-18.5	0	0	0	116.7
612	R	75.4	Confident	78.7	Confident	93 Å²	93	23.8 Å²	23.8	35%	0.351	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	123.8	173.2	-65.8	-174.2	-55.3	138.8	20.7	109.9	V608 G610 C630	V608-R612 PolarHBondContact N-O 2.95Å; V608-R612 PolarHBondContact O-N 3.48Å; G610-R612 PolarHBondContact O-N 3.2Å; R612-C630 PolarHBondContact NH1-O 3.13Å; R612-C630 PolarHBondContact NH2-O 3.12Å
613	V	78.8	Confident	79.4	Confident	35 Å²	35	24.9 Å²	24.9	21%	0.212	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	122.2	172.6	-175.3	0	0	0	0	108.5	E605	E605-V613 HydrophobicContact CB-CG1 4.18Å; E605-V613 HydrophobicContact CG-CG1 4.48Å
614	C	84.9	Confident	80.2	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.007	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	154	175.6	-63.5	0	0	0	0	109.8	V606 C630 V631	V606-C614 HydrophobicContact CB-CB 4.12Å; V606-C614 WeakPolarHBondContact CB-O 3.35Å; V606-C614 PolarHBondContact N-O 3.37Å; V606-C614 PolarHBondContact O-N 2.87Å; C614-C630 VanDerWaalsContact CA-SG 3.58Å; C614-C630 HydrophobicContact CB-CB 3.88Å; C614-C630 WeakPolarHBondContact CB-SG 3.18Å; C614-C630 WeakPolarHBondContact SG-CB 3.25Å; C614-C630 CovalentContact SG-SG 2.03Å; C614-C630 PolarHBondContact SG-SG 2.92Å; C614-V631 HydrophobicContact CB-CG1 4.17Å
615	T	83.3	Confident	80.7	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	129.8	173.3	-44.9	0	0	0	0	109.7	L603 W715 S765 P768	L603-T615 HydrophobicContact CD1-CG2 3.41Å; L603-T615 VanDerWaalsContact CD1-CG2 3.41Å; L603-T615 HydrophobicContact CG-CG2 4.31Å; T615-W715 PolarHBondContact OG1-NE1 3.32Å; T615-S765 WeakPolarHBondContact CB-O 3.42Å; T615-S765 PolarHBondContact N-O 2.9Å; T615-S765 PolarHBondContact OG1-O 2.82Å; T615-S765 PolarHBondContact OG1-OG 3.25Å; T615-P768 VanDerWaalsContact CG2-CD 3.47Å; T615-P768 HydrophobicContact CG2-CG 4.19Å
616	G	87.3	Confident	81.2	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	165.1	171.9	0	0	0	0	0	111.7	A604 L625	A604-G616 PolarHBondContact N-O 3.06Å; A604-G616 PolarHBondContact O-N 2.84Å; G616-L625 CarbonylContact C-O 3.5Å; G616-L625 VanDerWaalsContact CA-O 3.24Å; G616-L625 WeakPolarHBondContact CA-O 3.31Å
617	I	86.6	Confident	81.3	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	127.7	176.9	-70.5	-70.3	0	0	0	110.2	W602 L603 L619 V624 L625 I697 P768 L780	W602-I617 CarbonylContact O-C 3.53Å; W602-I617 WeakPolarHBondContact O-CA 3.25Å; L603-I617 HydrophobicContact CD1-CD1 3.85Å; I617-L619 HydrophobicContact CG2-CD2 4.09Å; I617-L619 PolarHBondContact O-N 3.07Å; I617-V624 CarbonylContact O-C 3.54Å; I617-V624 WeakPolarHBondContact O-CA 3.21Å; I617-L625 PolarHBondContact N-O 2.84Å; I617-L625 PolarHBondContact O-N 3.27Å; I617-I697 HydrophobicContact CG2-CB 4.37Å; I617-I697 HydrophobicContact CG2-CG2 3.34Å; I617-P768 HydrophobicContact CD1-CB 4.22Å; I617-P768 HydrophobicContact CD1-CG 3.95Å; I617-P768 HydrophobicContact CG1-CB 3.88Å; I617-P768 HydrophobicContact CG1-CG 4.03Å; I617-L780 HydrophobicContact CB-CD2 4.28Å; I617-L780 HydrophobicContact CG1-CD1 4.22Å; I617-L780 HydrophobicContact CG2-CD2 3.96Å
618	L	84.9	Confident	81.4	Confident	2 Å²	2	22.8 Å²	22.8	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	121	177.2	-168.5	64.8	0	0	0	110.4	W602 A620 V624 L646 P696 I697	W602-L618 PolarHBondContact O-N 2.9Å; L618-A620 WeakPolarHBondContact CD1-O 3.07Å; L618-V624 HydrophobicContact CD1-CG2 3.7Å; L618-L646 HydrophobicContact CB-CD2 4.33Å; L618-L646 HydrophobicContact CD1-CD1 4.18Å; L618-L646 HydrophobicContact CD2-CD1 4.43Å; L618-L646 HydrophobicContact CD2-CD2 4.42Å; L618-P696 HydrophobicContact CD2-CG 4.48Å; L618-P696 WeakPolarHBondContact O-CA 3.49Å; L618-I697 PolarHBondContact O-N 2.98Å
619	L	81.9	Confident	81.6	Confident	2 Å²	2	24.7 Å²	24.7	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	-26.2	178.8	-64.2	-168.1	0	0	0	113.5	I617 W623 L625 L681 I697 L699 L780 I802	I617-L619 HydrophobicContact CG2-CD2 4.09Å; I617-L619 PolarHBondContact O-N 3.07Å; L619-W623 PolarHBondContact N-O 3.23Å; L619-L625 HydrophobicContact CD1-CB 3.74Å; L619-L625 HydrophobicContact CD1-CD1 4.21Å; L619-L625 HydrophobicContact CD1-CD2 4.46Å; L619-L625 HydrophobicContact CD1-CG 4.36Å; L619-L625 HydrophobicContact CD2-CB 4.44Å; L619-L625 HydrophobicContact CG-CB 3.94Å; L619-L681 HydrophobicContact CD1-CD2 3.85Å; L619-I697 HydrophobicContact CD2-CG2 3.93Å; L619-L699 HydrophobicContact CD1-CD1 4.17Å; L619-L699 HydrophobicContact CD2-CD1 4.34Å; L619-L699 HydrophobicContact CD2-CD2 3.62Å; L619-L699 HydrophobicContact CD2-CG 4.22Å; L619-L780 HydrophobicContact CD2-CD2 4.34Å; L619-I802 HydrophobicContact CD1-CG2 4.02Å
620	A	76.2	Confident	82.2	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.008	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	162.8	173.4	0	0	0	0	0	108.3	L618 G622 W623 V806 E808	L618-A620 WeakPolarHBondContact CD1-O 3.07Å; A620-G622 PolarHBondContact O-N 2.9Å; A620-W623 HydrophobicContact CB-CB 4.28Å; A620-W623 PolarHBondContact N-O 3.46Å; A620-W623 PolarHBondContact O-N 2.9Å; A620-V806 HydrophobicContact CB-CG1 3.66Å; A620-E808 HydrophobicContact CB-CB 3.63Å
621	P	75.7	Confident	83.2	Confident	26 Å²	26	21 Å²	21	17%	0.169	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46	-33.5	179.2	-35.3	39.3	0	0	0	116.3	R687 V688 P690	P621-R687 HydrophobicContact CB-CB 4.12Å; P621-R687 HydrophobicContact CB-CG 4.3Å; P621-R687 CarbonylContact O-C 3.58Å; P621-R687 WeakPolarHBondContact O-CA 3.5Å; P621-V688 WeakPolarHBondContact CB-O 3.49Å; P621-V688 PolarHBondContact O-N 2.92Å; P621-P690 HydrophobicContact CG-CG 4.37Å
622	G	81.7	Confident	83.8	Confident	8 Å²	8	15.4 Å²	15.4	8%	0.082	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	0.8	178	0	0	0	0	0	116.1	A620 L684	A620-G622 PolarHBondContact O-N 2.9Å; G622-L684 WeakPolarHBondContact O-CG 3.42Å; G622-L684 PolarHBondContact O-N 3.31Å
623	W	88.7	Confident	83.4	Confident	37 Å²	37	16.8 Å²	16.8	14%	0.14	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	125.4	-159.8	-68.7	97.5	0	0	0	114.8	L619 A620 R668 L681 L682 E683 T805 V806	L619-W623 PolarHBondContact N-O 3.23Å; A620-W623 HydrophobicContact CB-CB 4.28Å; A620-W623 PolarHBondContact N-O 3.46Å; A620-W623 PolarHBondContact O-N 2.9Å; W623-R668 HydrophobicContact CH2-CG 3.76Å; W623-R668 HydrophobicContact CZ3-CG 3.74Å; W623-L681 HydrophobicContact CE3-CB 4.03Å; W623-L681 HydrophobicContact CZ3-CB 4Å; W623-L682 WeakPolarHBondContact CA-O 3.49Å; W623-E683 HydrophobicContact CE3-CB 4.1Å; W623-E683 HydrophobicContact CH2-CB 3.78Å; W623-E683 HydrophobicContact CH2-CG 3.68Å; W623-E683 WeakPolarHBondContact CH2-OE2 3.3Å; W623-E683 HydrophobicContact CZ2-CB 4.36Å; W623-E683 HydrophobicContact CZ2-CG 3.83Å; W623-E683 HydrophobicContact CZ3-CB 3.63Å; W623-E683 HydrophobicContact CZ3-CG 4.04Å; W623-T805 HydrophobicContact CH2-CG2 3.83Å; W623-T805 HydrophobicContact CZ2-CG2 4.44Å; W623-T805 HydrophobicContact CZ3-CG2 4.06Å; W623-V806 HydrophobicContact CB-CG1 3.88Å; W623-V806 HydrophobicContact CB-CG2 4.01Å; W623-V806 HydrophobicContact CD2-CG1 4.46Å; W623-V806 HydrophobicContact CD2-CG2 3.62Å; W623-V806 HydrophobicContact CE3-CG2 3.93Å; W623-V806 HydrophobicContact CG-CB 4.29Å; W623-V806 HydrophobicContact CG-CG1 3.71Å; W623-V806 HydrophobicContact CG-CG2 3.67Å
624	V	90.9	Very high	82.3	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.4	177.3	170.7	0	0	0	0	110.4	A604 V606 I617 L618 V644 L682 L684	A604-V624 HydrophobicContact CB-CG1 4.09Å; V606-V624 HydrophobicContact CG2-CG1 4.3Å; I617-V624 CarbonylContact O-C 3.54Å; I617-V624 WeakPolarHBondContact O-CA 3.21Å; L618-V624 HydrophobicContact CD1-CG2 3.7Å; V624-V644 HydrophobicContact CG1-CG1 4.49Å; V624-V644 HydrophobicContact CG2-CG1 4.24Å; V624-L682 HydrophobicContact CB-CB 4.39Å; V624-L682 HydrophobicContact CG1-CD1 4.36Å; V624-L682 PolarHBondContact N-O 2.91Å; V624-L682 WeakPolarHBondContact O-CB 3.1Å; V624-L682 PolarHBondContact O-N 3.26Å; V624-L684 HydrophobicContact CG2-CD1 4.13Å; V624-L684 HydrophobicContact CG2-CD2 4.43Å
625	L	91.8	Very high	80.8	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	137.7	172.9	-167	79.5	0	0	0	110.5	G616 I617 L619 L679 L681 L780 M783 I795 I802	G616-L625 CarbonylContact C-O 3.5Å; G616-L625 VanDerWaalsContact CA-O 3.24Å; G616-L625 WeakPolarHBondContact CA-O 3.31Å; I617-L625 PolarHBondContact N-O 2.84Å; I617-L625 PolarHBondContact O-N 3.27Å; L619-L625 HydrophobicContact CD1-CB 3.74Å; L619-L625 HydrophobicContact CD1-CD1 4.21Å; L619-L625 HydrophobicContact CD1-CD2 4.46Å; L619-L625 HydrophobicContact CD1-CG 4.36Å; L619-L625 HydrophobicContact CD2-CB 4.44Å; L619-L625 HydrophobicContact CG-CB 3.94Å; L625-L679 HydrophobicContact CD1-CB 4.33Å; L625-L679 HydrophobicContact CD2-CD1 4.39Å; L625-L679 HydrophobicContact CD2-CD2 4.45Å; L625-L681 HydrophobicContact CB-CD2 4.39Å; L625-L681 HydrophobicContact CD1-CD2 3.64Å; L625-L681 HydrophobicContact CD1-CG 4.01Å; L625-L780 HydrophobicContact CD2-CD2 3.69Å; L625-M783 HydrophobicContact CD2-CG 4.29Å; L625-I795 HydrophobicContact CD2-CD1 3.54Å; L625-I802 HydrophobicContact CD1-CD1 4.39Å
626	A	91.2	Very high	79.4	Confident	0 Å²	0	26 Å²	26	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	163.7	173.5	0	0	0	0	0	111.5	V631 A680 L682	A626-V631 HydrophobicContact CB-CG1 3.67Å; A626-A680 PolarHBondContact N-O 3.3Å; A626-A680 PolarHBondContact O-N 2.92Å; A626-L682 HydrophobicContact CB-CD1 3.96Å; A626-L682 HydrophobicContact CB-CG 4.43Å
627	A	88.3	Confident	77.5	Confident	2 Å²	2	33 Å²	33	2%	0.017	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	124.2	175.3	0	0	0	0	0	111.4	H629 C630 V631 A766 M783	A627-H629 PolarHBondContact O-N 2.7Å; A627-H629 VanDerWaalsContact O-N 3.1Å; A627-C630 PolarHBondContact O-N 3.02Å; A627-V631 PolarHBondContact O-N 2.89Å; A627-A766 HydrophobicContact CB-CB 3.61Å; A627-M783 HydrophobicContact CB-CB 4.33Å
628	T	86.3	Confident	75.9	Confident	11 Å²	11	37.9 Å²	37.9	7%	0.067	23%	0.229	C	C	.	.	H	α-helix	trans	-53.6	-37.5	-174	-50.9	0	0	0	0	113.3	C630 L632 L669 P677 P678 L679 A680	T628-C630 PolarHBondContact O-N 2.98Å; T628-L632 HydrophobicContact CG2-CD1 3.69Å; T628-L632 HydrophobicContact CG2-CG 4.18Å; T628-L632 WeakPolarHBondContact O-CB 3.22Å; T628-L632 PolarHBondContact O-N 3.36Å; T628-L669 HydrophobicContact CG2-CD2 3.95Å; T628-P677 WeakPolarHBondContact CB-O 3.18Å; T628-P677 WeakPolarHBondContact CG2-O 3.09Å; T628-P677 PolarHBondContact OG1-O 3.22Å; T628-P678 PolarHBondContact N-O 3.18Å; T628-P678 PolarHBondContact OG1-O 3.45Å; T628-L679 PolarHBondContact OG1-N 3.16Å; T628-L679 PolarHBondContact OG1-O 3.34Å; T628-A680 PolarHBondContact OG1-N 3.07Å
629	H	82.3	Confident	74.6	Confident	46 Å²	46	42.1 Å²	42.1	21%	0.213	26%	0.255	C	S	.	.	H	α-helix	trans	-69	-19.9	-177.3	78	-94.9	0	0	0	113.6	A627 A784 Q786	A627-H629 PolarHBondContact O-N 2.7Å; A627-H629 VanDerWaalsContact O-N 3.1Å; H629-A784 PolarHBondContact CE1-O 2.9Å; H629-A784 VanDerWaalsContact CE1-O 3.3Å; H629-Q786 HydrophobicContact CB-CB 4.01Å; H629-Q786 HydrophobicContact CB-CG 4.36Å
630	C	82.4	Confident	73.7	Confident	8 Å²	8	43.1 Å²	43.1	5%	0.054	26%	0.262	C	S	.	.	H	α-helix	trans	-89.2	-52.3	176.7	-163	0	0	0	0	110.1	R612 C614 A627 T628 A766	R612-C630 PolarHBondContact NH1-O 3.13Å; R612-C630 PolarHBondContact NH2-O 3.12Å; C614-C630 VanDerWaalsContact CA-SG 3.58Å; C614-C630 HydrophobicContact CB-CB 3.88Å; C614-C630 WeakPolarHBondContact CB-SG 3.18Å; C614-C630 WeakPolarHBondContact SG-CB 3.25Å; C614-C630 CovalentContact SG-SG 2.03Å; C614-C630 PolarHBondContact SG-SG 2.92Å; A627-C630 PolarHBondContact O-N 3.02Å; T628-C630 PolarHBondContact O-N 2.98Å; C630-A766 HydrophobicContact CB-CB 4.01Å
631	V	83.1	Confident	73.5	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-74.6	-27.2	-173.6	-61.3	0	0	0	0	114.9	V606 V608 C614 A626 A627 I642 A680 L682	V606-V631 HydrophobicContact CG1-CG1 3.86Å; V608-V631 HydrophobicContact CG2-CB 4.45Å; V608-V631 HydrophobicContact CG2-CG1 4.27Å; C614-V631 HydrophobicContact CB-CG1 4.17Å; A626-V631 HydrophobicContact CB-CG1 3.67Å; A627-V631 PolarHBondContact O-N 2.89Å; V631-I642 HydrophobicContact CB-CD1 4.24Å; V631-A680 HydrophobicContact CG2-CB 4.12Å; V631-L682 HydrophobicContact CG1-CD1 4.49Å
632	L	78.3	Confident	73.9	Confident	51 Å²	51	49.2 Å²	49.2	27%	0.267	28%	0.283	S	S	.	.	S	Bend	trans	-101.8	135.3	176.8	-59.9	-173.4	0	0	0	112.6	T628 I667 L669	T628-L632 HydrophobicContact CG2-CD1 3.69Å; T628-L632 HydrophobicContact CG2-CG 4.18Å; T628-L632 WeakPolarHBondContact O-CB 3.22Å; T628-L632 PolarHBondContact O-N 3.36Å; L632-I667 HydrophobicContact CD2-CD1 3.71Å; L632-I667 HydrophobicContact CD2-CG2 4.44Å; L632-L669 HydrophobicContact CD1-CD1 4.05Å; L632-L669 HydrophobicContact CD1-CD2 4.47Å
633	R	67.1	Low	74	Confident	122 Å²	122	50.3 Å²	50.3	46%	0.46	29%	0.285	S	S	.	.			trans	-77.3	128.3	168	-72	-175	177.9	-156.2	-0.2	109.9	A609 G635 S636	A609-R633 PolarHBondContact O-NE 2.84Å; A609-R633 PolarHBondContact O-NH2 2.04Å; R633-G635 PolarHBondContact O-N 2.8Å; R633-G635 VanDerWaalsContact O-N 3.09Å; R633-S636 PolarHBondContact O-N 3.28Å; R633-S636 VanDerWaalsContact O-N 3.15Å
634	P	56.6	Low	73.8	Confident	100 Å²	100	48.5 Å²	48.5	65%	0.649	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	115.8	176.1	-27.3	35.8	0	0	0	112.4
635	G	52.3	Low	73.2	Confident	70 Å²	70	50.2 Å²	50.2	72%	0.722	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.7	3.5	177.1	0	0	0	0	0	116	R633	R633-G635 PolarHBondContact O-N 2.8Å; R633-G635 VanDerWaalsContact O-N 3.09Å
636	S	54	Low	72.2	Confident	60 Å²	60	50.4 Å²	50.4	42%	0.42	29%	0.286	S	S	.	.			trans	-79.7	139	170.8	-164.5	0	0	0	0	111.5	R633 T638	R633-S636 PolarHBondContact O-N 3.28Å; R633-S636 VanDerWaalsContact O-N 3.15Å; S636-T638 PolarHBondContact OG-O 2.97Å; S636-T638 PolarHBondContact OG-OG1 3.44Å
637	T	47.1	Very low	70.7	Confident	147 Å²	147	51.8 Å²	51.8	90%	0.902	30%	0.301	S	S	*	.			trans	-107.1	-10.8	173.2	51.8	0	0	0	0	113.5
638	T	53.6	Low	68.9	Low	102 Å²	102	54.8 Å²	54.8	63%	0.626	31%	0.312	S	S	*	.	S	Bend	trans	-85.8	142.8	171	49.7	0	0	0	0	110.8	S636 P640	S636-T638 PolarHBondContact OG-O 2.97Å; S636-T638 PolarHBondContact OG-OG1 3.44Å; T638-P640 WeakPolarHBondContact O-CD 3.25Å
639	V	56.5	Low	66.7	Low	92 Å²	92	57.3 Å²	57.3	56%	0.558	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-64.7	118.6	163.5	-176.6	0	0	0	0	106.9	I667	V639-I667 HydrophobicContact CG1-CD1 4.19Å; V639-I667 HydrophobicContact CG1-CG1 4.46Å
640	P	62.8	Low	64.5	Low	22 Å²	22	57.3 Å²	57.3	14%	0.143	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-69.6	153.4	174.2	28.5	-30.5	0	0	0	109.5	V608 A609 T638 I642	V608-P640 HydrophobicContact CG1-CG 4.49Å; A609-P640 HydrophobicContact CB-CB 4.17Å; T638-P640 WeakPolarHBondContact O-CD 3.25Å; P640-I642 HydrophobicContact CG-CD1 4.01Å; P640-I642 HydrophobicContact CG-CG1 3.94Å; P640-I642 PolarHBondContact O-N 3.46Å
641	Y	72.9	Confident	62	Low	154 Å²	154	61.5 Å²	61.5	60%	0.604	38%	0.381	S	S	*	.			trans	-59.4	113.6	164.6	-171.7	-84.1	0	0	0	107.7	A609 E643 L663	A609-Y641 PolarHBondContact N-O 3.18Å; Y641-E643 HydrophobicContact CE1-CB 4.22Å; Y641-L663 HydrophobicContact CE1-CD2 4Å; Y641-L663 HydrophobicContact CE2-CD2 3.79Å; Y641-L663 VanDerWaalsContact CZ-CD2 3.47Å; Y641-L663 WeakPolarHBondContact OH-CD2 3.33Å
642	I	83.5	Confident	59.5	Low	2 Å²	2	67 Å²	67	1%	0.01	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130	173.3	-59.9	177.5	0	0	0	107.3	V606 H607 V608 V631 P640 V644 V664 I667	V606-I642 HydrophobicContact CG1-CG2 3.48Å; V606-I642 VanDerWaalsContact CG1-CG2 3.48Å; H607-I642 VanDerWaalsContact O-CA 3.27Å; H607-I642 WeakPolarHBondContact O-CA 3.43Å; H607-I642 WeakPolarHBondContact O-CG2 3.45Å; V608-I642 HydrophobicContact CG1-CG1 4.4Å; V608-I642 HydrophobicContact CG2-CD1 4.47Å; V608-I642 HydrophobicContact CG2-CG1 4.36Å; V631-I642 HydrophobicContact CB-CD1 4.24Å; P640-I642 HydrophobicContact CG-CD1 4.01Å; P640-I642 HydrophobicContact CG-CG1 3.94Å; P640-I642 PolarHBondContact O-N 3.46Å; I642-V644 HydrophobicContact CG2-CG2 4.44Å; I642-V664 HydrophobicContact CB-CB 4.01Å; I642-V664 HydrophobicContact CB-CG2 3.82Å; I642-V664 HydrophobicContact CG2-CB 4.26Å; I642-V664 HydrophobicContact CG2-CG2 3.5Å; I642-V664 PolarHBondContact O-N 3.23Å; I642-I667 HydrophobicContact CD1-CD1 3.82Å
643	E	84.6	Confident	57.8	Low	30 Å²	30	69.5 Å²	69.5	14%	0.14	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	137	172.5	-169.1	174.8	-164.8	0	0	108.4	H607 Y641 Y645 S661 R662 L663	H607-E643 WeakPolarHBondContact CB-O 3.27Å; H607-E643 PolarHBondContact N-O 3.04Å; H607-E643 PolarHBondContact O-N 2.97Å; H607-E643 VanDerWaalsContact O-N 3.16Å; Y641-E643 HydrophobicContact CE1-CB 4.22Å; E643-Y645 HydrophobicContact CB-CE2 4.14Å; E643-Y645 HydrophobicContact CG-CD2 4.46Å; E643-Y645 HydrophobicContact CG-CE2 3.82Å; E643-Y645 PolarHBondContact OE1-OH 2.93Å; E643-Y645 VanDerWaalsContact OE2-CZ 3.31Å; E643-Y645 PolarHBondContact OE2-OH 3.04Å; E643-S661 VanDerWaalsContact OE1-CB 3.22Å; E643-S661 WeakPolarHBondContact OE1-CB 3.33Å; E643-S661 PolarHBondContact OE1-OG 2.81Å; E643-R662 WeakPolarHBondContact CA-O 3.39Å; E643-L663 HydrophobicContact CB-CD2 4.25Å; E643-L663 HydrophobicContact CG-CD2 4.22Å
644	V	84.6	Confident	56.2	Low	0 Å²	0	71.5 Å²	71.5	0%	0	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.6	-179.6	-175.6	0	0	0	0	108.4	A604 E605 V606 V624 I642 S661 R662 V664 L682 L684	A604-V644 HydrophobicContact CB-CG1 3.73Å; E605-V644 WeakPolarHBondContact O-CA 3.23Å; V606-V644 HydrophobicContact CG1-CG2 4.39Å; V606-V644 HydrophobicContact CG2-CG1 4.33Å; V606-V644 HydrophobicContact CG2-CG2 4.22Å; V624-V644 HydrophobicContact CG1-CG1 4.49Å; V624-V644 HydrophobicContact CG2-CG1 4.24Å; I642-V644 HydrophobicContact CG2-CG2 4.44Å; V644-S661 CarbonylContact O-C 3.59Å; V644-S661 VanDerWaalsContact O-CA 3.29Å; V644-S661 WeakPolarHBondContact O-CA 3.33Å; V644-R662 PolarHBondContact N-O 3.17Å; V644-R662 PolarHBondContact O-N 2.88Å; V644-V664 HydrophobicContact CG2-CG2 3.64Å; V644-L682 HydrophobicContact CG2-CD1 4.38Å; V644-L684 HydrophobicContact CB-CD2 4.11Å; V644-L684 HydrophobicContact CG2-CD2 3.92Å
645	Y	77.9	Confident	55.2	Low	36 Å²	36	72.6 Å²	72.6	14%	0.141	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.8	175.7	-60.6	-90.9	0	0	0	110.1	A604 E605 H607 E643 Q659	A604-Y645 WeakPolarHBondContact CA-O 3.33Å; E605-Y645 PolarHBondContact N-O 3Å; E605-Y645 PolarHBondContact O-N 3.41Å; H607-Y645 HydrophobicContact CB-CE2 4.22Å; H607-Y645 AromaticContact CD2-CD2 3.76Å; H607-Y645 AromaticContact CD2-CE2 3.9Å; H607-Y645 AromaticContact CE1-CE2 3.92Å; H607-Y645 AromaticContact CG-CE2 3.7Å; H607-Y645 AromaticContact ND1-CE2 3.7Å; H607-Y645 AromaticContact NE2-CD2 3.99Å; E643-Y645 HydrophobicContact CB-CE2 4.14Å; E643-Y645 HydrophobicContact CG-CD2 4.46Å; E643-Y645 HydrophobicContact CG-CE2 3.82Å; E643-Y645 PolarHBondContact OE1-OH 2.93Å; E643-Y645 VanDerWaalsContact OE2-CZ 3.31Å; E643-Y645 PolarHBondContact OE2-OH 3.04Å; Y645-Q659 HydrophobicContact CD1-CG 4.02Å; Y645-Q659 HydrophobicContact CE1-CG 4.5Å
646	L	71.4	Confident	54.6	Low	3 Å²	3	78.7 Å²	78.7	2%	0.016	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	151.9	178.3	-73.8	152.5	0	0	0	109.6	A604 L618 R648 V660 V688 A694	A604-L646 HydrophobicContact CB-CD2 3.68Å; A604-L646 HydrophobicContact CB-CG 4.19Å; L618-L646 HydrophobicContact CB-CD2 4.33Å; L618-L646 HydrophobicContact CD1-CD1 4.18Å; L618-L646 HydrophobicContact CD2-CD1 4.43Å; L618-L646 HydrophobicContact CD2-CD2 4.42Å; L646-R648 PolarHBondContact O-N 3.16Å; L646-V660 PolarHBondContact N-O 2.04Å; L646-V688 HydrophobicContact CD1-CB 4.38Å; L646-V688 HydrophobicContact CD1-CG1 4.06Å; L646-V688 HydrophobicContact CD1-CG2 3.8Å; L646-A694 HydrophobicContact CB-CB 4.46Å
647	G	59.7	Low	54	Low	30 Å²	30	79 Å²	79	31%	0.309	49%	0.487	S	S	.	.	S	Bend	trans	69.1	26	176.5	0	0	0	0	0	116.6	S693	G647-S693 WeakPolarHBondContact CA-O 3.43Å; G647-S693 PolarHBondContact N-O 2.89Å
648	R	50.3	Low	53.9	Low	64 Å²	64	80.2 Å²	80.2	24%	0.242	48%	0.482	C	S	.	.			trans	-73.2	161.7	-179.9	-152.9	-173.1	-173.5	144.7	16	112.8	L599 E605 L646	L599-R648 HydrophobicContact CD1-CB 3.86Å; L599-R648 WeakPolarHBondContact CD1-O 3.28Å; L599-R648 WeakPolarHBondContact CG-O 3.22Å; E605-R648 VanDerWaalsContact CD-CD 3.48Å; E605-R648 VanDerWaalsContact OE1-CD 3.24Å; E605-R648 WeakPolarHBondContact OE1-CD 3.25Å; E605-R648 IonicContact OE1-NH1 2.77Å; E605-R648 WeakPolarHBondContact OE2-CD 3.26Å; E605-R648 IonicContact OE2-CZ 2.76Å; E605-R648 IonicContact OE2-NE 2.69Å; E605-R648 IonicContact OE2-NH1 3.48Å; E605-R648 PolarHBondContact OE2-NH1 2.78Å; L646-R648 PolarHBondContact O-N 3.16Å
649	A	39.4	Very low	53.8	Low	65 Å²	65	80.7 Å²	80.7	54%	0.537	48%	0.478	S	S	.	.			trans	-130.9	152.8	156.5	0	0	0	0	0	110.5	G597	G597-A649 WeakPolarHBondContact O-CB 3.34Å
650	G	35.7	Very low	53.8	Low	45 Å²	45	78.2 Å²	78.2	46%	0.464	46%	0.463	S	S	.	.			trans	-113.2	141.1	166.8	0	0	0	0	0	109.9
651	A	30.4	Very low	54.3	Low	96 Å²	96	79.1 Å²	79.1	79%	0.793	47%	0.469	S	S	*	.	S	Bend	cis	-132.6	168	5.1	0	0	0	0	0	111.7
652	S	31.1	Very low	54.8	Low	116 Å²	116	74.5 Å²	74.5	81%	0.811	45%	0.451	S	S	*	.	S	Bend	trans	-61	146.4	-178	-167.7	0	0	0	0	112.7
653	P	42.8	Very low	54.8	Low	103 Å²	103	77.7 Å²	77.7	67%	0.669	47%	0.467	S	S	*	.	S	Bend	cis	-121.1	158.5	13.6	40.1	-27.9	0	0	0	117
654	L	32.9	Very low	54.9	Low	165 Å²	165	77 Å²	77	86%	0.864	47%	0.465	S	S	*	.			trans	73.6	152	172.6	-58	160	0	0	0	116.7
655	P	34.8	Very low	54.7	Low	123 Å²	123	81.9 Å²	81.9	80%	0.799	49%	0.49	S	S	*	.			cis	-99.7	-174	-16.2	24.7	-6.2	0	0	0	112.2	G657	P655-G657 PolarHBondContact O-N 3.01Å; P655-G657 VanDerWaalsContact O-N 3.07Å
656	Q	40.3	Very low	55	Low	198 Å²	198	81.6 Å²	81.6	93%	0.925	49%	0.494	S	S	*	.			trans	-81.4	78.9	-174.2	-68.9	175.3	-75.8	0	0	113.4
657	G	41.2	Very low	55.7	Low	66 Å²	66	83 Å²	83	68%	0.68	50%	0.501	S	S	*	.			trans	-69.1	137.7	160.5	0	0	0	0	0	111.1	P655 Q659	P655-G657 PolarHBondContact O-N 3.01Å; P655-G657 VanDerWaalsContact O-N 3.07Å; G657-Q659 PolarHBondContact O-N 2.89Å
658	H	44.6	Very low	56.9	Low	173 Å²	173	86.6 Å²	86.6	80%	0.801	51%	0.505	S	S	*	.			trans	-65	99.4	-176.2	-84.4	107.1	0	0	0	112.9	V660	H658-V660 PolarHBondContact O-N 3.46Å
659	Q	52.2	Low	58.5	Low	112 Å²	112	86.5 Å²	86.5	52%	0.523	51%	0.509	S	S	.	.			trans	-72.5	102.8	178.7	-179.8	179.3	-7.4	0	0	111.1	Y645 G657 S661	Y645-Q659 HydrophobicContact CD1-CG 4.02Å; Y645-Q659 HydrophobicContact CE1-CG 4.5Å; G657-Q659 PolarHBondContact O-N 2.89Å; Q659-S661 PolarHBondContact O-N 3.32Å
660	V	57.1	Low	60.4	Low	40 Å²	40	83.8 Å²	83.8	24%	0.242	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	102.6	178	-173.5	0	0	0	0	110	L646 H658 V688	L646-V660 PolarHBondContact N-O 2.04Å; H658-V660 PolarHBondContact O-N 3.46Å; V660-V688 HydrophobicContact CG1-CG1 4.28Å; V660-V688 HydrophobicContact CG1-CG2 4.42Å
661	S	73.4	Confident	62	Low	40 Å²	40	93.4 Å²	93.4	28%	0.28	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	152.7	165.8	93.8	0	0	0	0	112.2	E643 V644 Q659	E643-S661 VanDerWaalsContact OE1-CB 3.22Å; E643-S661 WeakPolarHBondContact OE1-CB 3.33Å; E643-S661 PolarHBondContact OE1-OG 2.81Å; V644-S661 CarbonylContact O-C 3.59Å; V644-S661 VanDerWaalsContact O-CA 3.29Å; V644-S661 WeakPolarHBondContact O-CA 3.33Å; Q659-S661 PolarHBondContact O-N 3.32Å
662	R	82.8	Confident	63.5	Low	58 Å²	58	93.2 Å²	93.2	22%	0.219	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	139.6	174.5	-66.2	-62.9	-176.2	-103.2	8.2	109.9	E643 V644 L684 S686 R687 V688	E643-R662 WeakPolarHBondContact CA-O 3.39Å; V644-R662 PolarHBondContact N-O 3.17Å; V644-R662 PolarHBondContact O-N 2.88Å; R662-L684 HydrophobicContact CB-CB 4.12Å; R662-L684 HydrophobicContact CB-CD1 4.22Å; R662-L684 HydrophobicContact CB-CD2 4.06Å; R662-L684 HydrophobicContact CB-CG 4.36Å; R662-L684 HydrophobicContact CG-CB 4.46Å; R662-L684 HydrophobicContact CG-CD1 4.22Å; R662-S686 VanDerWaalsContact CD-O 3.27Å; R662-S686 WeakPolarHBondContact CD-O 3.27Å; R662-S686 VanDerWaalsContact CD-OG 3.23Å; R662-S686 WeakPolarHBondContact CD-OG 3.14Å; R662-S686 PolarHBondContact NE-O 2.91Å; R662-S686 PolarHBondContact NE-OG 2.82Å; R662-S686 VanDerWaalsContact NE-OG 3.12Å; R662-R687 PolarHBondContact NE-O 2.92Å; R662-R687 VanDerWaalsContact NE-O 3.13Å; R662-R687 PolarHBondContact NH2-O 2.9Å; R662-V688 HydrophobicContact CG-CG2 3.69Å
663	L	83.8	Confident	64.2	Low	68 Å²	68	96.4 Å²	96.4	36%	0.356	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	147.4	172.7	-65.5	172.1	0	0	0	109.9	Y641 E643 L684 S685	Y641-L663 HydrophobicContact CE1-CD2 4Å; Y641-L663 HydrophobicContact CE2-CD2 3.79Å; Y641-L663 VanDerWaalsContact CZ-CD2 3.47Å; Y641-L663 WeakPolarHBondContact OH-CD2 3.33Å; E643-L663 HydrophobicContact CB-CD2 4.25Å; E643-L663 HydrophobicContact CG-CD2 4.22Å; L663-L684 CarbonylContact O-C 3.6Å; L663-L684 WeakPolarHBondContact O-CA 3.23Å; L663-S685 PolarHBondContact N-OG 3.32Å; L663-S685 VanDerWaalsContact N-OG 3.16Å; L663-S685 WeakPolarHBondContact O-CB 3.16Å; L663-S685 PolarHBondContact O-N 3.14Å; L663-S685 PolarHBondContact O-OG 3.09Å
664	V	85.5	Confident	64.7	Low	15 Å²	15	95.3 Å²	95.3	9%	0.091	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	115.6	171.3	-178.3	0	0	0	0	109.3	I642 V644 S666 I667 L682 E683 L684	I642-V664 HydrophobicContact CB-CB 4.01Å; I642-V664 HydrophobicContact CB-CG2 3.82Å; I642-V664 HydrophobicContact CG2-CB 4.26Å; I642-V664 HydrophobicContact CG2-CG2 3.5Å; I642-V664 PolarHBondContact O-N 3.23Å; V644-V664 HydrophobicContact CG2-CG2 3.64Å; V664-S666 WeakPolarHBondContact CG1-O 3.14Å; V664-I667 HydrophobicContact CG1-CG1 4.06Å; V664-L682 HydrophobicContact CG1-CB 3.96Å; V664-L682 HydrophobicContact CG1-CD2 4.18Å; V664-L682 HydrophobicContact CG2-CB 4.02Å; V664-L682 HydrophobicContact CG2-CD1 4.34Å; V664-E683 CarbonylContact C-O 3.57Å; V664-E683 WeakPolarHBondContact CA-O 3.2Å; V664-L684 HydrophobicContact CG2-CD2 4.46Å
665	I	82.3	Confident	66	Low	104 Å²	104	93.9 Å²	93.9	53%	0.533	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-22.3	178.6	56.4	167.6	0	0	0	113	E683	I665-E683 HydrophobicContact CD1-CG 4.29Å; I665-E683 HydrophobicContact CG1-CB 4.29Å; I665-E683 HydrophobicContact CG1-CG 4.08Å; I665-E683 WeakPolarHBondContact CG1-O 3.2Å; I665-E683 PolarHBondContact N-O 2.9Å
666	S	83.5	Confident	67.5	Low	30 Å²	30	96.9 Å²	96.9	21%	0.21	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	152	174.4	-141.1	0	0	0	0	112.8	V664 R668 E683	V664-S666 WeakPolarHBondContact CG1-O 3.14Å; S666-R668 PolarHBondContact OG-NE 2.93Å; S666-E683 WeakPolarHBondContact CB-OE2 3.34Å; S666-E683 PolarHBondContact O-N 3.02Å
667	I	85.3	Confident	69.3	Low	32 Å²	32	88.2 Å²	88.2	16%	0.164	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	113.5	171.3	-53.7	177.3	0	0	0	107.4	L632 V639 I642 V664 L669 A680 L681 L682	L632-I667 HydrophobicContact CD2-CD1 3.71Å; L632-I667 HydrophobicContact CD2-CG2 4.44Å; V639-I667 HydrophobicContact CG1-CD1 4.19Å; V639-I667 HydrophobicContact CG1-CG1 4.46Å; I642-I667 HydrophobicContact CD1-CD1 3.82Å; V664-I667 HydrophobicContact CG1-CG1 4.06Å; I667-L669 HydrophobicContact CG2-CD2 4.37Å; I667-A680 HydrophobicContact CG2-CB 4.16Å; I667-L681 CarbonylContact C-O 3.58Å; I667-L681 WeakPolarHBondContact CA-O 3.31Å; I667-L682 HydrophobicContact CD1-CD2 4.46Å; I667-L682 HydrophobicContact CG1-CD2 4Å; I667-L682 HydrophobicContact CG2-CD2 4.18Å
668	R	85.1	Confident	71.2	Confident	106 Å²	106	87.7 Å²	87.7	40%	0.4	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	141.2	176.9	-46.1	-61.2	-177.7	154.9	0.2	109.3	W623 S666 L681 E683 W801 T805	W623-R668 HydrophobicContact CH2-CG 3.76Å; W623-R668 HydrophobicContact CZ3-CG 3.74Å; S666-R668 PolarHBondContact OG-NE 2.93Å; R668-L681 HydrophobicContact CB-CB 4.2Å; R668-L681 PolarHBondContact N-O 3.44Å; R668-L681 PolarHBondContact O-N 2.84Å; R668-E683 IonicContact CZ-OE2 2.85Å; R668-E683 IonicContact NE-OE2 2.69Å; R668-E683 PolarHBondContact NE-OE2 3.44Å; R668-E683 VanDerWaalsContact NH2-CD 3.35Å; R668-E683 IonicContact NH2-OE1 3.79Å; R668-E683 PolarHBondContact NH2-OE1 2.88Å; R668-E683 IonicContact NH2-OE2 3.18Å; R668-E683 PolarHBondContact NH2-OE2 3.09Å; R668-W801 HydrophobicContact CB-CZ2 4.23Å; R668-W801 WeakPolarHBondContact O-CZ2 3.29Å; R668-T805 HydrophobicContact CB-CG2 3.94Å; R668-T805 HydrophobicContact CG-CG2 3.86Å
669	L	84.2	Confident	73.3	Confident	62 Å²	62	79.5 Å²	79.5	33%	0.325	40%	0.4	S	S	.	.			trans	-132.6	144.9	-179.7	-61.5	177.9	0	0	0	109.7	T628 L632 I667 P677 A680	T628-L669 HydrophobicContact CG2-CD2 3.95Å; L632-L669 HydrophobicContact CD1-CD1 4.05Å; L632-L669 HydrophobicContact CD1-CD2 4.47Å; I667-L669 HydrophobicContact CG2-CD2 4.37Å; L669-P677 HydrophobicContact CB-CG 3.97Å; L669-P677 HydrophobicContact CD2-CG 4.3Å; L669-P677 HydrophobicContact CG-CG 4.49Å; L669-A680 HydrophobicContact CD2-CB 3.53Å
670	P	79.5	Confident	75.1	Confident	7 Å²	7	74.1 Å²	74.1	5%	0.045	38%	0.375	C	S	.	.			trans	-70.1	145.6	175.6	18.6	-17.6	0	0	0	111.6	H672 P677 E798 W801	P670-H672 PolarHBondContact O-N 2.76Å; P670-P677 HydrophobicContact CG-CB 3.53Å; P670-P677 HydrophobicContact CG-CG 4.19Å; P670-E798 WeakPolarHBondContact CB-OE2 3.31Å; P670-E798 WeakPolarHBondContact CG-OE1 3.34Å; P670-E798 WeakPolarHBondContact CG-OE2 3.25Å; P670-W801 HydrophobicContact CB-CB 4.28Å; P670-W801 HydrophobicContact CB-CD2 3.53Å; P670-W801 HydrophobicContact CB-CE3 3.73Å; P670-W801 HydrophobicContact CB-CG 3.74Å; P670-W801 HydrophobicContact CB-CZ3 4.4Å; P670-W801 HydrophobicContact CG-CD2 3.85Å; P670-W801 HydrophobicContact CG-CE3 3.56Å; P670-W801 HydrophobicContact CG-CH2 4.22Å; P670-W801 HydrophobicContact CG-CZ2 4.45Å; P670-W801 HydrophobicContact CG-CZ3 3.77Å
671	R	68.3	Low	76.7	Confident	247 Å²	247	72.2 Å²	72.2	93%	0.932	36%	0.364	S	S	*	.			trans	-91	70.2	-170.2	-67.6	-174.4	177.8	-178.2	1.3	112.7
672	H	62.7	Low	77.5	Confident	93 Å²	93	70.3 Å²	70.3	43%	0.431	35%	0.35	S	S	.	.			trans	-86.1	138.8	176.4	-61.1	-43.8	0	0	0	112.6	P670 G674 E798	P670-H672 PolarHBondContact O-N 2.76Å; H672-G674 PolarHBondContact O-N 2.92Å; H672-E798 IonicContact CD2-OE1 2.71Å; H672-E798 IonicContact CE1-OE1 3.65Å; H672-E798 IonicContact CE1-OE2 3.52Å; H672-E798 IonicContact NE2-OE1 3.39Å; H672-E798 PolarHBondContact NE2-OE1 2.77Å; H672-E798 IonicContact NE2-OE2 3.68Å; H672-E798 PolarHBondContact NE2-OE2 3.44Å
673	L	46.3	Very low	77.7	Confident	183 Å²	183	69.4 Å²	69.4	96%	0.958	35%	0.349	S	S	*	.	S	Bend	trans	-72.9	96.7	179.6	-79.4	166.1	0	0	0	111.6
674	G	53.5	Low	77.8	Confident	80 Å²	80	66.6 Å²	66.6	83%	0.825	33%	0.334	S	S	*	.	S	Bend	trans	94.2	5.1	165.1	0	0	0	0	0	116.8	H672	H672-G674 PolarHBondContact O-N 2.92Å
675	L	60.7	Low	77.5	Confident	134 Å²	134	68.5 Å²	68.5	70%	0.702	35%	0.348	S	S	*	.	S	Bend	trans	-121.9	152.9	177.1	-67.1	175.2	0	0	0	111.5
676	R	66.1	Low	77	Confident	187 Å²	187	66.4 Å²	66.4	71%	0.706	34%	0.342	S	S	*	.			trans	-78.1	124.3	166.5	-73.1	-172.3	-178.7	169.9	4	108.9
677	P	78.2	Confident	76.6	Confident	15 Å²	15	71.7 Å²	71.7	10%	0.097	36%	0.357	C	S	.	.			trans	-70.8	146.6	178.7	27.6	-33.2	0	0	0	111.7	T628 L669 P670	T628-P677 WeakPolarHBondContact CB-O 3.18Å; T628-P677 WeakPolarHBondContact CG2-O 3.09Å; T628-P677 PolarHBondContact OG1-O 3.22Å; L669-P677 HydrophobicContact CB-CG 3.97Å; L669-P677 HydrophobicContact CD2-CG 4.3Å; L669-P677 HydrophobicContact CG-CG 4.49Å; P670-P677 HydrophobicContact CG-CB 3.53Å; P670-P677 HydrophobicContact CG-CG 4.19Å
678	P	80.9	Confident	75.4	Confident	56 Å²	56	70.2 Å²	70.2	36%	0.364	35%	0.35	S	S	.	.	S	Bend	trans	-77.9	-24.3	-176.6	30.6	-34.3	0	0	0	113.8	T628 A793	T628-P678 PolarHBondContact N-O 3.18Å; T628-P678 PolarHBondContact OG1-O 3.45Å; P678-A793 HydrophobicContact CB-CB 3.57Å; P678-A793 HydrophobicContact CG-CB 3.66Å
679	L	88.3	Confident	73.9	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	147.3	-177.7	-58.2	-179.4	0	0	0	111.9	L625 T628 M783 A793 I795 E798 W801	L625-L679 HydrophobicContact CD1-CB 4.33Å; L625-L679 HydrophobicContact CD2-CD1 4.39Å; L625-L679 HydrophobicContact CD2-CD2 4.45Å; T628-L679 PolarHBondContact OG1-N 3.16Å; T628-L679 PolarHBondContact OG1-O 3.34Å; L679-M783 HydrophobicContact CD2-CB 3.7Å; L679-M783 HydrophobicContact CD2-CG 3.48Å; L679-M783 VanDerWaalsContact CD2-CG 3.48Å; L679-A793 HydrophobicContact CD2-CB 4.45Å; L679-I795 HydrophobicContact CD1-CD1 3.77Å; L679-E798 HydrophobicContact CD1-CB 4.48Å; L679-E798 HydrophobicContact CD1-CG 4.22Å; L679-W801 HydrophobicContact CB-CZ3 4.41Å
680	A	89.5	Confident	72.4	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	141	176.2	0	0	0	0	0	110.3	A626 T628 V631 I667 L669	A626-A680 PolarHBondContact N-O 3.3Å; A626-A680 PolarHBondContact O-N 2.92Å; T628-A680 PolarHBondContact OG1-N 3.07Å; V631-A680 HydrophobicContact CG2-CB 4.12Å; I667-A680 HydrophobicContact CG2-CB 4.16Å; L669-A680 HydrophobicContact CD2-CB 3.53Å
681	L	90.3	Very high	70.9	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.2	172.2	-78.6	170.5	0	0	0	109.4	L619 W623 L625 I667 R668 W801 I802 T805 V806	L619-L681 HydrophobicContact CD1-CD2 3.85Å; W623-L681 HydrophobicContact CE3-CB 4.03Å; W623-L681 HydrophobicContact CZ3-CB 4Å; L625-L681 HydrophobicContact CB-CD2 4.39Å; L625-L681 HydrophobicContact CD1-CD2 3.64Å; L625-L681 HydrophobicContact CD1-CG 4.01Å; I667-L681 CarbonylContact C-O 3.58Å; I667-L681 WeakPolarHBondContact CA-O 3.31Å; R668-L681 HydrophobicContact CB-CB 4.2Å; R668-L681 PolarHBondContact N-O 3.44Å; R668-L681 PolarHBondContact O-N 2.84Å; L681-W801 HydrophobicContact CB-CH2 4.02Å; L681-W801 HydrophobicContact CB-CZ2 4.1Å; L681-W801 HydrophobicContact CD1-CH2 3.67Å; L681-W801 HydrophobicContact CD1-CZ2 3.57Å; L681-W801 HydrophobicContact CD1-CZ3 4.25Å; L681-W801 HydrophobicContact CG-CH2 3.54Å; L681-W801 HydrophobicContact CG-CZ2 3.87Å; L681-W801 HydrophobicContact CG-CZ3 4.25Å; L681-I802 HydrophobicContact CD1-CG1 4.44Å; L681-T805 HydrophobicContact CD1-CG2 3.67Å; L681-V806 HydrophobicContact CD1-CG2 3.65Å; L681-V806 HydrophobicContact CD2-CG2 3.95Å; L681-V806 HydrophobicContact CG-CG2 4.42Å
682	L	91	Very high	70	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	119.8	179.1	-51.4	178.3	0	0	0	108.6	V606 W623 V624 A626 V631 V644 V664 I667	V606-L682 HydrophobicContact CG1-CD1 3.69Å; V606-L682 HydrophobicContact CG2-CD1 4.05Å; W623-L682 WeakPolarHBondContact CA-O 3.49Å; V624-L682 HydrophobicContact CB-CB 4.39Å; V624-L682 HydrophobicContact CG1-CD1 4.36Å; V624-L682 PolarHBondContact N-O 2.91Å; V624-L682 WeakPolarHBondContact O-CB 3.1Å; V624-L682 PolarHBondContact O-N 3.26Å; A626-L682 HydrophobicContact CB-CD1 3.96Å; A626-L682 HydrophobicContact CB-CG 4.43Å; V631-L682 HydrophobicContact CG1-CD1 4.49Å; V644-L682 HydrophobicContact CG2-CD1 4.38Å; V664-L682 HydrophobicContact CG1-CB 3.96Å; V664-L682 HydrophobicContact CG1-CD2 4.18Å; V664-L682 HydrophobicContact CG2-CB 4.02Å; V664-L682 HydrophobicContact CG2-CD1 4.34Å; I667-L682 HydrophobicContact CD1-CD2 4.46Å; I667-L682 HydrophobicContact CG1-CD2 4Å; I667-L682 HydrophobicContact CG2-CD2 4.18Å
683	E	87.9	Confident	69.5	Low	39 Å²	39	64 Å²	64	18%	0.182	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	120.3	179.9	-167.9	173.1	142.2	0	0	108.8	W623 V664 I665 S666 R668	W623-E683 HydrophobicContact CE3-CB 4.1Å; W623-E683 HydrophobicContact CH2-CB 3.78Å; W623-E683 HydrophobicContact CH2-CG 3.68Å; W623-E683 WeakPolarHBondContact CH2-OE2 3.3Å; W623-E683 HydrophobicContact CZ2-CB 4.36Å; W623-E683 HydrophobicContact CZ2-CG 3.83Å; W623-E683 HydrophobicContact CZ3-CB 3.63Å; W623-E683 HydrophobicContact CZ3-CG 4.04Å; V664-E683 CarbonylContact C-O 3.57Å; V664-E683 WeakPolarHBondContact CA-O 3.2Å; I665-E683 HydrophobicContact CD1-CG 4.29Å; I665-E683 HydrophobicContact CG1-CB 4.29Å; I665-E683 HydrophobicContact CG1-CG 4.08Å; I665-E683 WeakPolarHBondContact CG1-O 3.2Å; I665-E683 PolarHBondContact N-O 2.9Å; S666-E683 WeakPolarHBondContact CB-OE2 3.34Å; S666-E683 PolarHBondContact O-N 3.02Å; R668-E683 IonicContact CZ-OE2 2.85Å; R668-E683 IonicContact NE-OE2 2.69Å; R668-E683 PolarHBondContact NE-OE2 3.44Å; R668-E683 VanDerWaalsContact NH2-CD 3.35Å; R668-E683 IonicContact NH2-OE1 3.79Å; R668-E683 PolarHBondContact NH2-OE1 2.88Å; R668-E683 IonicContact NH2-OE2 3.18Å; R668-E683 PolarHBondContact NH2-OE2 3.09Å
684	L	85	Confident	70.2	Confident	9 Å²	9	55.4 Å²	55.4	5%	0.047	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	146.3	-172.2	-57.7	-176.9	0	0	0	112.2	G622 V624 V644 R662 L663 V664 S686 V688	G622-L684 WeakPolarHBondContact O-CG 3.42Å; G622-L684 PolarHBondContact O-N 3.31Å; V624-L684 HydrophobicContact CG2-CD1 4.13Å; V624-L684 HydrophobicContact CG2-CD2 4.43Å; V644-L684 HydrophobicContact CB-CD2 4.11Å; V644-L684 HydrophobicContact CG2-CD2 3.92Å; R662-L684 HydrophobicContact CB-CB 4.12Å; R662-L684 HydrophobicContact CB-CD1 4.22Å; R662-L684 HydrophobicContact CB-CD2 4.06Å; R662-L684 HydrophobicContact CB-CG 4.36Å; R662-L684 HydrophobicContact CG-CB 4.46Å; R662-L684 HydrophobicContact CG-CD1 4.22Å; L663-L684 CarbonylContact O-C 3.6Å; L663-L684 WeakPolarHBondContact O-CA 3.23Å; V664-L684 HydrophobicContact CG2-CD2 4.46Å; L684-S686 PolarHBondContact O-N 2.67Å; L684-V688 HydrophobicContact CD1-CG2 3.8Å
685	S	79.1	Confident	70.7	Confident	55 Å²	55	52.7 Å²	52.7	39%	0.385	28%	0.28	S	S	.	.	S	Bend	trans	-60.7	-25.1	-177.9	58.3	0	0	0	0	114.8	L663	L663-S685 PolarHBondContact N-OG 3.32Å; L663-S685 VanDerWaalsContact N-OG 3.16Å; L663-S685 WeakPolarHBondContact O-CB 3.16Å; L663-S685 PolarHBondContact O-N 3.14Å; L663-S685 PolarHBondContact O-OG 3.09Å
686	S	72.1	Confident	71.4	Confident	59 Å²	59	47.5 Å²	47.5	41%	0.413	25%	0.254	S	S	.	.	S	Bend	trans	-155.8	155.1	171.9	50	0	0	0	0	108.2	R662 L684	R662-S686 VanDerWaalsContact CD-O 3.27Å; R662-S686 WeakPolarHBondContact CD-O 3.27Å; R662-S686 VanDerWaalsContact CD-OG 3.23Å; R662-S686 WeakPolarHBondContact CD-OG 3.14Å; R662-S686 PolarHBondContact NE-O 2.91Å; R662-S686 PolarHBondContact NE-OG 2.82Å; R662-S686 VanDerWaalsContact NE-OG 3.12Å; L684-S686 PolarHBondContact O-N 2.67Å
687	R	74.9	Confident	71.8	Confident	141 Å²	141	38.9 Å²	38.9	53%	0.532	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-61.7	152.5	179.7	-69.3	173.3	175.1	-89.5	2.4	110.8	P621 R662 E808	P621-R687 HydrophobicContact CB-CB 4.12Å; P621-R687 HydrophobicContact CB-CG 4.3Å; P621-R687 CarbonylContact O-C 3.58Å; P621-R687 WeakPolarHBondContact O-CA 3.5Å; R662-R687 PolarHBondContact NE-O 2.92Å; R662-R687 VanDerWaalsContact NE-O 3.13Å; R662-R687 PolarHBondContact NH2-O 2.9Å; R687-E808 IonicContact CZ-OE1 2.66Å; R687-E808 VanDerWaalsContact CZ-OE1 3.23Å; R687-E808 IonicContact CZ-OE2 3.7Å; R687-E808 IonicContact NH1-OE1 3.74Å; R687-E808 PolarHBondContact NH1-OE1 3.1Å; R687-E808 IonicContact NH1-OE2 3.62Å; R687-E808 PolarHBondContact NH1-OE2 3.19Å; R687-E808 IonicContact NH2-OE1 3.49Å; R687-E808 PolarHBondContact NH2-OE1 3.06Å
688	V	60.4	Low	71.7	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.012	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-102.7	121.3	171.2	179.1	0	0	0	0	107.4	P621 L646 V660 R662 L684 A694	P621-V688 WeakPolarHBondContact CB-O 3.49Å; P621-V688 PolarHBondContact O-N 2.92Å; L646-V688 HydrophobicContact CD1-CB 4.38Å; L646-V688 HydrophobicContact CD1-CG1 4.06Å; L646-V688 HydrophobicContact CD1-CG2 3.8Å; V660-V688 HydrophobicContact CG1-CG1 4.28Å; V660-V688 HydrophobicContact CG1-CG2 4.42Å; R662-V688 HydrophobicContact CG-CG2 3.69Å; L684-V688 HydrophobicContact CD1-CG2 3.8Å; V688-A694 HydrophobicContact CG1-CB 3.8Å
689	E	53.5	Low	71.7	Confident	136 Å²	136	35.7 Å²	35.7	64%	0.636	20%	0.201	S	C	*	.	P	Polyproline II helix	trans	-69	136.6	178.2	-67.3	-179.2	-148.2	0	0	110.4	S691	E689-S691 PolarHBondContact O-N 2.89Å
690	P	53.3	Low	71.1	Confident	41 Å²	41	36.4 Å²	36.4	27%	0.266	21%	0.205	S	C	.	.			trans	-72.2	86.7	-173.3	-18.4	32.2	0	0	0	113.5	W470 P621 A694 L695	W470-P690 HydrophobicContact CH2-CB 3.97Å; W470-P690 HydrophobicContact CH2-CG 4.26Å; W470-P690 WeakPolarHBondContact CH2-O 3.18Å; W470-P690 HydrophobicContact CZ2-CB 4.35Å; W470-P690 HydrophobicContact CZ2-CG 4.49Å; W470-P690 WeakPolarHBondContact CZ2-O 3.46Å; P621-P690 HydrophobicContact CG-CG 4.37Å; P690-A694 CarbonylContact C-O 3.48Å; P690-A694 VanDerWaalsContact CA-O 3.25Å; P690-A694 WeakPolarHBondContact CA-O 3.39Å; P690-L695 HydrophobicContact CB-CD2 4.05Å
691	S	47	Very low	69.8	Low	42 Å²	42	37.4 Å²	37.4	29%	0.294	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-92.2	167.3	179.2	80.6	0	0	0	0	112.1	E689 S693 A694 L695	E689-S691 PolarHBondContact O-N 2.89Å; S691-S693 PolarHBondContact O-N 3.03Å; S691-S693 PolarHBondContact OG-N 2.89Å; S691-A694 PolarHBondContact N-O 3.24Å; S691-A694 CarbonylContact O-C 3.54Å; S691-A694 PolarHBondContact O-N 3.05Å; S691-A694 PolarHBondContact OG-N 3.37Å; S691-L695 VanDerWaalsContact O-CD2 3.25Å; S691-L695 WeakPolarHBondContact O-CD2 3.44Å; S691-L695 VanDerWaalsContact O-CG 3.31Å; S691-L695 WeakPolarHBondContact O-CG 3.23Å
692	P	50.5	Low	68.4	Low	108 Å²	108	39.5 Å²	39.5	70%	0.701	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-18.6	171.3	-27.4	36.4	0	0	0	114.7	P601	P601-P692 WeakPolarHBondContact CG-O 3.34Å
693	S	51.2	Low	67.1	Low	57 Å²	57	40.6 Å²	40.6	40%	0.399	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-0.7	177.9	-54	0	0	0	0	113.9	G647 S691	G647-S693 WeakPolarHBondContact CA-O 3.43Å; G647-S693 PolarHBondContact N-O 2.89Å; S691-S693 PolarHBondContact O-N 3.03Å; S691-S693 PolarHBondContact OG-N 2.89Å
694	A	61.7	Low	65.9	Low	2 Å²	2	41.3 Å²	41.3	2%	0.017	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-149.8	82.3	-174.5	0	0	0	0	0	111.5	P601 L646 V688 P690 S691	P601-A694 CarbonylContact O-C 3.53Å; P601-A694 WeakPolarHBondContact O-CA 3.45Å; L646-A694 HydrophobicContact CB-CB 4.46Å; V688-A694 HydrophobicContact CG1-CB 3.8Å; P690-A694 CarbonylContact C-O 3.48Å; P690-A694 VanDerWaalsContact CA-O 3.25Å; P690-A694 WeakPolarHBondContact CA-O 3.39Å; S691-A694 PolarHBondContact N-O 3.24Å; S691-A694 CarbonylContact O-C 3.54Å; S691-A694 PolarHBondContact O-N 3.05Å; S691-A694 PolarHBondContact OG-N 3.37Å
695	L	63.8	Low	64.9	Low	23 Å²	23	41.3 Å²	41.3	12%	0.12	25%	0.245	C	C	.	.			trans	-119.7	137.8	-179.5	-60.4	174.3	0	0	0	112.1	L589 P601 W602 P690 S691	L589-L695 HydrophobicContact CD1-CD1 3.75Å; L589-L695 HydrophobicContact CD1-CD2 4.48Å; P601-L695 HydrophobicContact CB-CB 3.89Å; P601-L695 HydrophobicContact CB-CD1 4.03Å; P601-L695 HydrophobicContact CB-CG 3.86Å; P601-L695 HydrophobicContact CG-CD1 4.33Å; P601-L695 PolarHBondContact O-N 2.95Å; W602-L695 WeakPolarHBondContact CA-O 3.29Å; W602-L695 VanDerWaalsContact CB-O 3.3Å; W602-L695 WeakPolarHBondContact CB-O 3.22Å; P690-L695 HydrophobicContact CB-CD2 4.05Å; S691-L695 VanDerWaalsContact O-CD2 3.25Å; S691-L695 WeakPolarHBondContact O-CD2 3.44Å; S691-L695 VanDerWaalsContact O-CG 3.31Å; S691-L695 WeakPolarHBondContact O-CG 3.23Å
696	P	74.1	Confident	63.9	Low	26 Å²	26	43.1 Å²	43.1	17%	0.169	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-61.6	141.1	169	-23.9	35.2	0	0	0	112.9	L618	L618-P696 HydrophobicContact CD2-CG 4.48Å; L618-P696 WeakPolarHBondContact O-CA 3.49Å
697	I	75.4	Confident	63.5	Low	5 Å²	5	43.6 Å²	43.6	3%	0.026	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-92.1	151.3	172.8	-162.9	163	0	0	0	112.5	W602 I617 L618 L619 L770 W778 L780	W602-I697 HydrophobicContact CB-CB 3.92Å; W602-I697 HydrophobicContact CD2-CB 4.41Å; W602-I697 HydrophobicContact CD2-CD1 4.03Å; W602-I697 HydrophobicContact CD2-CG1 4.39Å; W602-I697 HydrophobicContact CG-CB 4.1Å; W602-I697 HydrophobicContact CG-CD1 4Å; W602-I697 HydrophobicContact CG-CG1 4.43Å; I617-I697 HydrophobicContact CG2-CB 4.37Å; I617-I697 HydrophobicContact CG2-CG2 3.34Å; L618-I697 PolarHBondContact O-N 2.98Å; L619-I697 HydrophobicContact CD2-CG2 3.93Å; I697-L770 HydrophobicContact CD1-CD2 3.4Å; I697-L770 VanDerWaalsContact CD1-CD2 3.4Å; I697-L770 HydrophobicContact CD1-CG 4.07Å; I697-W778 HydrophobicContact CD1-CB 4.41Å; I697-L780 HydrophobicContact CD1-CB 4.37Å; I697-L780 HydrophobicContact CG2-CB 4.04Å
698	C	75.9	Confident	63.4	Low	4 Å²	4	38 Å²	38	3%	0.027	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	144.2	169.9	-43.1	0	0	0	0	111.8	C587 V779 L780 L812	C587-C698 WeakPolarHBondContact CA-SG 3.2Å; C587-C698 HydrophobicContact CB-CB 4.47Å; C587-C698 WeakPolarHBondContact CB-SG 2.98Å; C587-C698 VanDerWaalsContact SG-CA 3.59Å; C587-C698 WeakPolarHBondContact SG-CB 3.25Å; C587-C698 CovalentContact SG-SG 2.04Å; C587-C698 PolarHBondContact SG-SG 3.11Å; C698-V779 HydrophobicContact CB-CG1 4.11Å; C698-V779 WeakPolarHBondContact O-CA 3.46Å; C698-L780 PolarHBondContact O-N 3.34Å; C698-L812 HydrophobicContact CB-CD1 4.41Å; C698-L812 HydrophobicContact CB-CD2 4.22Å; C698-L812 HydrophobicContact CB-CG 4.06Å
699	L	80.7	Confident	64.1	Low	1 Å²	1	41.3 Å²	41.3	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	158.3	170.4	-59.5	-177	0	0	0	110.6	L619 L780 I795 I802 A809 H810 F811 L812	L619-L699 HydrophobicContact CD1-CD1 4.17Å; L619-L699 HydrophobicContact CD2-CD1 4.34Å; L619-L699 HydrophobicContact CD2-CD2 3.62Å; L619-L699 HydrophobicContact CD2-CG 4.22Å; L699-L780 HydrophobicContact CD2-CB 3.88Å; L699-L780 HydrophobicContact CD2-CD2 4.08Å; L699-L780 HydrophobicContact CD2-CG 4.48Å; L699-I795 HydrophobicContact CB-CG2 4.42Å; L699-I795 HydrophobicContact CD1-CG2 4.12Å; L699-I795 HydrophobicContact CD2-CG2 4.08Å; L699-I795 HydrophobicContact CG-CG2 4.44Å; L699-I802 HydrophobicContact CD1-CG2 3.75Å; L699-A809 HydrophobicContact CD1-CB 4.37Å; L699-H810 PolarHBondContact N-O 3.41Å; L699-F811 HydrophobicContact CB-CD1 3.56Å; L699-F811 HydrophobicContact CB-CD2 4.45Å; L699-F811 HydrophobicContact CB-CE1 3.6Å; L699-F811 HydrophobicContact CB-CE2 4.48Å; L699-F811 HydrophobicContact CB-CG 4.01Å; L699-F811 HydrophobicContact CB-CZ 4.09Å; L699-F811 HydrophobicContact CD1-CD1 4.42Å; L699-F811 HydrophobicContact CD1-CD2 4.45Å; L699-F811 HydrophobicContact CD1-CE1 3.75Å; L699-F811 HydrophobicContact CD1-CE2 3.78Å; L699-F811 HydrophobicContact CD1-CZ 3.38Å; L699-F811 HydrophobicContact CG-CE1 4.33Å; L699-F811 HydrophobicContact CG-CZ 4.38Å; L699-F811 WeakPolarHBondContact O-CA 3.45Å; L699-L812 PolarHBondContact O-N 3.07Å
700	H	75.4	Confident	65.2	Low	15 Å²	15	35.3 Å²	35.3	7%	0.069	25%	0.25	C	C	.	.			trans	-129.4	118.9	175.4	-172.8	-99.5	0	0	0	111.2	G703 V779	H700-G703 PolarHBondContact ND1-O 3.08Å; H700-V779 HydrophobicContact CB-CB 4.15Å; H700-V779 HydrophobicContact CB-CG1 4.17Å; H700-V779 HydrophobicContact CB-CG2 4.29Å
701	P	62.4	Low	66.5	Low	20 Å²	20	36.2 Å²	36.2	13%	0.13	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-40.4	-169.5	29.4	-33.9	0	0	0	112.9	G703 G796 E799 F811 L812	P701-G703 PolarHBondContact O-N 2.81Å; P701-G796 VanDerWaalsContact O-CA 3.31Å; P701-G796 WeakPolarHBondContact O-CA 3.07Å; P701-E799 HydrophobicContact CB-CG 4.21Å; P701-E799 VanDerWaalsContact CB-OE1 3.26Å; P701-E799 WeakPolarHBondContact CB-OE1 3.35Å; P701-E799 VanDerWaalsContact CB-OE2 3.28Å; P701-E799 WeakPolarHBondContact CB-OE2 3.4Å; P701-F811 HydrophobicContact CB-CD1 4.15Å; P701-L812 VanDerWaalsContact CD-O 3.25Å; P701-L812 WeakPolarHBondContact CD-O 3.49Å
702	A	61.9	Low	67.7	Low	45 Å²	45	34.2 Å²	34.2	37%	0.372	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	19	-173.3	0	0	0	0	0	114.7
703	G	62.4	Low	68.8	Low	22 Å²	22	29.2 Å²	29.2	23%	0.227	20%	0.201	C	C	.	.	S	Bend	trans	88.6	-117.6	-177.9	0	0	0	0	0	112.7	H700 P701	H700-G703 PolarHBondContact ND1-O 3.08Å; P701-G703 PolarHBondContact O-N 2.81Å
704	I	64.1	Low	69.5	Low	54 Å²	54	26.5 Å²	26.5	28%	0.277	18%	0.182	S	C	.	.	S	Bend	trans	-100.1	130.2	-171.9	-47	151.2	0	0	0	109.1	I730 V781	I704-I730 HydrophobicContact CD1-CB 3.82Å; I704-I730 HydrophobicContact CD1-CD1 4.09Å; I704-I730 HydrophobicContact CD1-CG2 3.51Å; I704-I730 HydrophobicContact CG1-CD1 3.91Å; I704-I730 HydrophobicContact CG1-CG2 4.35Å; I704-I730 HydrophobicContact CG2-CD1 4.15Å; I704-V781 HydrophobicContact CG1-CG1 4.26Å
705	P	63.2	Low	69.7	Low	10 Å²	10	26.8 Å²	26.8	7%	0.065	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-66.2	143.9	175.9	-15.3	28.1	0	0	0	111.9	G707 A708 T773 V779	P705-G707 PolarHBondContact O-N 3.1Å; P705-A708 HydrophobicContact CB-CB 4.09Å; P705-A708 HydrophobicContact CG-CB 4.32Å; P705-A708 VanDerWaalsContact O-CB 3.25Å; P705-A708 WeakPolarHBondContact O-CB 3.33Å; P705-A708 PolarHBondContact O-N 2.92Å; P705-T773 HydrophobicContact CB-CG2 4.01Å; P705-T773 HydrophobicContact CG-CG2 3.9Å; P705-V779 HydrophobicContact CG-CG2 3.9Å
706	P	58.5	Low	69.6	Low	93 Å²	93	31 Å²	31	60%	0.604	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	133.9	-179.7	27.1	-34.2	0	0	0	111.4	A708	P706-A708 PolarHBondContact O-N 2.92Å
707	G	64.1	Low	69.1	Low	69 Å²	69	34.1 Å²	34.1	71%	0.711	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.6	5.8	-178.5	0	0	0	0	0	115.4	P705	P705-G707 PolarHBondContact O-N 3.1Å
708	A	71.2	Confident	68.1	Low	23 Å²	23	36.9 Å²	36.9	19%	0.19	23%	0.23	C	C	.	.			trans	-68.6	143.4	-178.9	0	0	0	0	0	113.2	P705 P706 C771 Q772	P705-A708 HydrophobicContact CB-CB 4.09Å; P705-A708 HydrophobicContact CG-CB 4.32Å; P705-A708 VanDerWaalsContact O-CB 3.25Å; P705-A708 WeakPolarHBondContact O-CB 3.33Å; P705-A708 PolarHBondContact O-N 2.92Å; P706-A708 PolarHBondContact O-N 2.92Å; A708-C771 HydrophobicContact CB-CB 4.06Å; A708-Q772 VanDerWaalsContact CA-O 3.22Å; A708-Q772 WeakPolarHBondContact CA-O 3.43Å; A708-Q772 VanDerWaalsContact CB-O 3.25Å; A708-Q772 WeakPolarHBondContact CB-O 3.44Å
709	S	74.9	Confident	67.1	Low	71 Å²	71	44.9 Å²	44.9	50%	0.497	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	144.5	165	-62.5	0	0	0	0	109.6	W711 C771 Q772	S709-W711 VanDerWaalsContact C-CZ3 3.49Å; S709-W711 VanDerWaalsContact O-CZ3 3.23Å; S709-W711 WeakPolarHBondContact O-CZ3 3.31Å; S709-C771 CarbonylContact O-C 3.52Å; S709-C771 WeakPolarHBondContact O-CA 3.35Å; S709-C771 WeakPolarHBondContact O-CB 3.05Å; S709-Q772 PolarHBondContact N-O 3.02Å; S709-Q772 PolarHBondContact O-N 3.27Å
710	C	76.9	Confident	65.7	Low	11 Å²	11	49.4 Å²	49.4	7%	0.074	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	147	-172.3	-57.9	0	0	0	0	113	V728 I730 L769 L770 C771	C710-V728 HydrophobicContact CB-CG2 4.08Å; C710-V728 PolarHBondContact O-N 3.35Å; C710-I730 HydrophobicContact CB-CD1 4.03Å; C710-I730 HydrophobicContact CB-CG1 4.2Å; C710-I730 VanDerWaalsContact SG-CD1 3.51Å; C710-L769 HydrophobicContact CB-CD1 4.42Å; C710-L770 WeakPolarHBondContact CA-O 3.24Å; C710-C771 HydrophobicContact CB-CB 4.1Å; C710-C771 WeakPolarHBondContact CB-SG 3.35Å; C710-C771 WeakPolarHBondContact SG-CB 3.47Å; C710-C771 CovalentContact SG-SG 2.04Å; C710-C771 PolarHBondContact SG-SG 3.34Å
711	W	81.1	Confident	64.8	Low	60 Å²	60	52.6 Å²	52.6	23%	0.227	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	143.2	-178.6	-59.9	-99.2	0	0	0	111.1	S709 L713 A726 L770 Q772 W778	S709-W711 VanDerWaalsContact C-CZ3 3.49Å; S709-W711 VanDerWaalsContact O-CZ3 3.23Å; S709-W711 WeakPolarHBondContact O-CZ3 3.31Å; W711-L713 HydrophobicContact CB-CD2 3.94Å; W711-A726 CarbonylContact C-O 3.46Å; W711-A726 VanDerWaalsContact CA-O 3.27Å; W711-A726 WeakPolarHBondContact CA-O 3.47Å; W711-L770 PolarHBondContact N-O 3.18Å; W711-L770 PolarHBondContact O-N 3.27Å; W711-Q772 HydrophobicContact CH2-CB 4.27Å; W711-Q772 HydrophobicContact CZ3-CB 3.72Å; W711-W778 HydrophobicContact CD2-CH2 4.12Å; W711-W778 HydrophobicContact CD2-CZ3 4.38Å; W711-W778 AromaticContact CE3-CH2 3.49Å; W711-W778 HydrophobicContact CE3-CH2 3.49Å; W711-W778 VanDerWaalsContact CE3-CH2 3.49Å; W711-W778 AromaticContact CE3-CZ3 3.52Å; W711-W778 HydrophobicContact CE3-CZ3 3.52Å; W711-W778 HydrophobicContact CH2-CH2 4.18Å; W711-W778 AromaticContact CZ3-CH2 3.52Å; W711-W778 HydrophobicContact CZ3-CH2 3.52Å; W711-W778 HydrophobicContact CZ3-CZ2 4.37Å; W711-W778 AromaticContact CZ3-CZ3 3.78Å; W711-W778 HydrophobicContact CZ3-CZ3 3.78Å
712	V	73.3	Confident	64.4	Low	0 Å²	0	55 Å²	55	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	123.2	161.3	179.5	0	0	0	0	107	A726 V728 Y753 P767 L769 F792	V712-A726 PolarHBondContact N-O 3Å; V712-A726 PolarHBondContact O-N 2.89Å; V712-V728 HydrophobicContact CG2-CG1 3.83Å; V712-V728 HydrophobicContact CG2-CG2 4.27Å; V712-Y753 HydrophobicContact CB-CE1 4.47Å; V712-Y753 HydrophobicContact CG2-CE1 4.33Å; V712-P767 HydrophobicContact CG1-CB 3.85Å; V712-P767 HydrophobicContact CG1-CG 3.89Å; V712-L769 HydrophobicContact CG2-CD1 4.21Å; V712-F792 HydrophobicContact CB-CZ 4.37Å; V712-F792 HydrophobicContact CG1-CE1 4.26Å; V712-F792 HydrophobicContact CG1-CZ 3.97Å; V712-F792 HydrophobicContact CG2-CE1 4.04Å; V712-F792 HydrophobicContact CG2-CE2 4.1Å; V712-F792 HydrophobicContact CG2-CZ 3.43Å; V712-F792 VanDerWaalsContact CG2-CZ 3.43Å
713	L	72.1	Confident	64.1	Low	2 Å²	2	54.8 Å²	54.8	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	139.8	177.5	-56.1	-171.2	0	0	0	109.6	W600 W711 V724 A725 P767 P768 L770	W600-L713 HydrophobicContact CD2-CD1 3.87Å; W600-L713 HydrophobicContact CE3-CB 4.45Å; W600-L713 HydrophobicContact CE3-CD1 4.01Å; W600-L713 HydrophobicContact CG-CD1 4.33Å; W600-L713 HydrophobicContact CH2-CB 4.42Å; W600-L713 HydrophobicContact CH2-CD1 4.46Å; W600-L713 HydrophobicContact CH2-CD2 3.91Å; W600-L713 HydrophobicContact CH2-CG 4.5Å; W600-L713 HydrophobicContact CZ2-CD1 4.34Å; W600-L713 HydrophobicContact CZ2-CD2 3.91Å; W600-L713 HydrophobicContact CZ3-CB 4.1Å; W600-L713 HydrophobicContact CZ3-CD1 4.29Å; W600-L713 HydrophobicContact CZ3-CD2 4.4Å; W711-L713 HydrophobicContact CB-CD2 3.94Å; L713-V724 WeakPolarHBondContact CA-O 3.24Å; L713-A725 HydrophobicContact CD2-CB 3.43Å; L713-A725 VanDerWaalsContact CD2-CB 3.43Å; L713-P767 WeakPolarHBondContact O-CB 3.35Å; L713-P768 HydrophobicContact CB-CG 4.44Å; L713-P768 PolarHBondContact N-O 3.18Å; L713-P768 VanDerWaalsContact N-O 3.08Å; L713-P768 VanDerWaalsContact O-CD 3.24Å; L713-P768 WeakPolarHBondContact O-CD 3.29Å; L713-L770 HydrophobicContact CB-CD1 4.46Å; L713-L770 HydrophobicContact CD1-CD1 3.93Å; L713-L770 HydrophobicContact CD1-CD2 3.81Å; L713-L770 HydrophobicContact CD1-CG 4.34Å; L713-L770 HydrophobicContact CG-CD1 4.1Å
714	G	65.9	Low	64.1	Low	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.8	-147.4	178.4	0	0	0	0	0	112.7	P723 V724	G714-P723 WeakPolarHBondContact O-CA 3.2Å; G714-V724 VanDerWaalsContact C-CG2 3.49Å; G714-V724 PolarHBondContact N-O 3.27Å; G714-V724 WeakPolarHBondContact O-CG2 3.28Å; G714-V724 PolarHBondContact O-N 3.29Å
715	W	67.4	Low	64.1	Low	9 Å²	9	53.3 Å²	53.3	3%	0.034	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	142	-174.8	-48.2	105.5	0	0	0	111	L599 L603 E605 T615 R721 P723 E762	L599-W715 HydrophobicContact CD1-CH2 3.93Å; L599-W715 HydrophobicContact CD2-CH2 3.63Å; L599-W715 HydrophobicContact CD2-CZ3 3.65Å; L599-W715 HydrophobicContact CG-CH2 4.48Å; L603-W715 HydrophobicContact CD2-CH2 3.85Å; L603-W715 HydrophobicContact CD2-CZ2 3.79Å; L603-W715 HydrophobicContact CG-CZ2 4.44Å; E605-W715 HydrophobicContact CG-CH2 4.19Å; E605-W715 HydrophobicContact CG-CZ2 3.85Å; T615-W715 PolarHBondContact OG1-NE1 3.32Å; W715-R721 HydrophobicContact CE3-CB 4.4Å; W715-R721 HydrophobicContact CZ3-CB 4.5Å; W715-R721 VanDerWaalsContact CZ3-O 3.28Å; W715-R721 WeakPolarHBondContact CZ3-O 3.4Å; W715-P723 HydrophobicContact CZ3-CB 4.25Å; W715-E762 PolarHBondContact O-N 2.81Å
716	K	61.3	Low	64.3	Low	112 Å²	112	52.9 Å²	52.9	49%	0.487	30%	0.301	S	S	.	.	S	Bend	trans	-67.3	-52.9	172.6	-179.1	173.4	172.1	-84.7	0	110.2	V722 V724	K716-V722 HydrophobicContact CB-CB 4.45Å; K716-V722 PolarHBondContact N-O 3.44Å; K716-V724 HydrophobicContact CB-CG1 3.91Å; K716-V724 HydrophobicContact CB-CG2 4.42Å; K716-V724 VanDerWaalsContact N-CG2 3.32Å
717	E	62.9	Low	64.8	Low	91 Å²	91	50 Å²	50	43%	0.425	29%	0.285	S	S	.	.	S	Bend	trans	-139.6	132.6	179.4	-81.9	160.3	-99.3	0	0	108.5	Q719 D720 R721	E717-Q719 PolarHBondContact O-N 3Å; E717-Q719 VanDerWaalsContact O-N 3.13Å; E717-D720 PolarHBondContact O-N 2.96Å; E717-R721 PolarHBondContact O-N 3.39Å; E717-R721 VanDerWaalsContact O-N 3.11Å
718	P	55.2	Low	65.3	Low	62 Å²	62	47.1 Å²	47.1	40%	0.403	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-15.9	-172.1	-24.9	35.3	0	0	0	115.9	E762	P718-E762 HydrophobicContact CG-CB 4.46Å; P718-E762 HydrophobicContact CG-CG 3.76Å
719	Q	55.2	Low	65.6	Low	172 Å²	172	49.8 Å²	49.8	80%	0.804	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-43.9	179.4	-61.4	-173.6	4.2	0	0	111.4	E717	E717-Q719 PolarHBondContact O-N 3Å; E717-Q719 VanDerWaalsContact O-N 3.13Å
720	D	50.1	Low	65.6	Low	97 Å²	97	48 Å²	48	52%	0.519	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-19.1	-177.7	-68.5	3.7	0	0	0	113.3	E717 V722	E717-D720 PolarHBondContact O-N 2.96Å; D720-V722 HydrophobicContact CB-CG2 4.3Å; D720-V722 PolarHBondContact O-N 3.2Å; D720-V722 VanDerWaalsContact O-N 3.09Å
721	R	57	Low	65.5	Low	81 Å²	81	49.1 Å²	49.1	31%	0.306	26%	0.261	S	S	.	.			trans	54.6	29.3	173.4	-55.6	-176.8	-174.1	117.2	6.1	114.8	W715 E717 P723	W715-R721 HydrophobicContact CE3-CB 4.4Å; W715-R721 HydrophobicContact CZ3-CB 4.5Å; W715-R721 VanDerWaalsContact CZ3-O 3.28Å; W715-R721 WeakPolarHBondContact CZ3-O 3.4Å; E717-R721 PolarHBondContact O-N 3.39Å; E717-R721 VanDerWaalsContact O-N 3.11Å; R721-P723 WeakPolarHBondContact O-CD 3.43Å
722	V	53.8	Low	65	Low	72 Å²	72	48 Å²	48	44%	0.436	26%	0.261	S	S	.	.			trans	-72.7	120	173.9	-179.1	0	0	0	0	109.4	K716 D720	K716-V722 HydrophobicContact CB-CB 4.45Å; K716-V722 PolarHBondContact N-O 3.44Å; D720-V722 HydrophobicContact CB-CG2 4.3Å; D720-V722 PolarHBondContact O-N 3.2Å; D720-V722 VanDerWaalsContact O-N 3.09Å
723	P	56.3	Low	64.8	Low	40 Å²	40	51.6 Å²	51.6	26%	0.26	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	143.9	177.3	29.8	-36.3	0	0	0	111.4	L599 W600 G714 W715 R721	L599-P723 HydrophobicContact CD2-CB 3.67Å; L599-P723 HydrophobicContact CD2-CG 3.82Å; W600-P723 HydrophobicContact CE3-CB 4.48Å; W600-P723 HydrophobicContact CH2-CB 4.11Å; W600-P723 HydrophobicContact CZ3-CB 3.74Å; G714-P723 WeakPolarHBondContact O-CA 3.2Å; W715-P723 HydrophobicContact CZ3-CB 4.25Å; R721-P723 WeakPolarHBondContact O-CD 3.43Å
724	V	60.9	Low	64.6	Low	13 Å²	13	58 Å²	58	8%	0.079	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	140.9	-174.9	-81.1	0	0	0	0	111.3	L713 G714 K716 R760 C761	L713-V724 WeakPolarHBondContact CA-O 3.24Å; G714-V724 VanDerWaalsContact C-CG2 3.49Å; G714-V724 PolarHBondContact N-O 3.27Å; G714-V724 WeakPolarHBondContact O-CG2 3.28Å; G714-V724 PolarHBondContact O-N 3.29Å; K716-V724 HydrophobicContact CB-CG1 3.91Å; K716-V724 HydrophobicContact CB-CG2 4.42Å; K716-V724 VanDerWaalsContact N-CG2 3.32Å; V724-R760 WeakPolarHBondContact CG2-O 3.27Å; V724-C761 HydrophobicContact CG2-CB 4.38Å
725	A	65.2	Low	64.9	Low	32 Å²	32	61.2 Å²	61.2	26%	0.264	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.1	170.6	0	0	0	0	0	109.6	W600 L713 R760	W600-A725 HydrophobicContact CH2-CB 4.33Å; W600-A725 HydrophobicContact CZ2-CB 4.2Å; L713-A725 HydrophobicContact CD2-CB 3.43Å; L713-A725 VanDerWaalsContact CD2-CB 3.43Å; A725-R760 PolarHBondContact O-NH1 3.12Å
726	A	66.4	Low	65.2	Low	0 Å²	0	61 Å²	61	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118.2	173.4	0	0	0	0	0	109.2	W711 V712 Y753 Q757 R760	W711-A726 CarbonylContact C-O 3.46Å; W711-A726 VanDerWaalsContact CA-O 3.27Å; W711-A726 WeakPolarHBondContact CA-O 3.47Å; V712-A726 PolarHBondContact N-O 3Å; V712-A726 PolarHBondContact O-N 2.89Å; A726-Y753 HydrophobicContact CB-CD1 3.97Å; A726-Y753 HydrophobicContact CB-CE1 3.74Å; A726-Q757 HydrophobicContact CB-CB 4.18Å; A726-R760 HydrophobicContact CB-CB 4.42Å
727	A	69.9	Low	65.6	Low	32 Å²	32	60.9 Å²	60.9	26%	0.264	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	134.4	-179.5	0	0	0	0	0	111.3	A754	A727-A754 HydrophobicContact CB-CB 4.32Å; A727-A754 PolarHBondContact O-N 3.41Å
728	V	74.2	Confident	66	Low	10 Å²	10	57.5 Å²	57.5	6%	0.061	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	145.4	-177.8	-60.4	0	0	0	0	112.4	C710 V712 V751 L752 Y753 L769	C710-V728 HydrophobicContact CB-CG2 4.08Å; C710-V728 PolarHBondContact O-N 3.35Å; V712-V728 HydrophobicContact CG2-CG1 3.83Å; V712-V728 HydrophobicContact CG2-CG2 4.27Å; V728-V751 HydrophobicContact CB-CB 4.12Å; V728-V751 HydrophobicContact CB-CG2 4.43Å; V728-V751 HydrophobicContact CG1-CB 4.47Å; V728-V751 HydrophobicContact CG1-CG2 4.23Å; V728-V751 HydrophobicContact CG2-CB 4.27Å; V728-V751 HydrophobicContact CG2-CG1 4.38Å; V728-L752 CarbonylContact C-O 3.48Å; V728-L752 VanDerWaalsContact CA-O 3.31Å; V728-L752 WeakPolarHBondContact CA-O 3.44Å; V728-Y753 HydrophobicContact CG1-CD1 3.61Å; V728-Y753 HydrophobicContact CG1-CD2 4.37Å; V728-Y753 HydrophobicContact CG1-CE1 3.76Å; V728-Y753 HydrophobicContact CG1-CE2 4.47Å; V728-Y753 HydrophobicContact CG1-CG 3.94Å; V728-L769 HydrophobicContact CG2-CD1 3.66Å
729	S	76.8	Confident	66.7	Low	79 Å²	79	58.4 Å²	58.4	55%	0.552	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.4	165.2	-64	0	0	0	0	109.2	L752	S729-L752 PolarHBondContact N-O 3.19Å; S729-L752 PolarHBondContact O-N 3.11Å
730	I	75.3	Confident	67.3	Low	33 Å²	33	53 Å²	53	17%	0.169	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	128.3	180	-49.9	179.6	0	0	0	109.6	I704 C710 C750 V751 L769	I704-I730 HydrophobicContact CD1-CB 3.82Å; I704-I730 HydrophobicContact CD1-CD1 4.09Å; I704-I730 HydrophobicContact CD1-CG2 3.51Å; I704-I730 HydrophobicContact CG1-CD1 3.91Å; I704-I730 HydrophobicContact CG1-CG2 4.35Å; I704-I730 HydrophobicContact CG2-CD1 4.15Å; C710-I730 HydrophobicContact CB-CD1 4.03Å; C710-I730 HydrophobicContact CB-CG1 4.2Å; C710-I730 VanDerWaalsContact SG-CD1 3.51Å; I730-C750 WeakPolarHBondContact CG2-O 3.14Å; I730-V751 HydrophobicContact CG1-CG1 4.11Å; I730-V751 HydrophobicContact CG2-CG1 4.42Å; I730-L769 HydrophobicContact CD1-CD1 4.38Å; I730-L769 HydrophobicContact CD1-CD2 3.95Å; I730-L769 HydrophobicContact CD1-CG 4.44Å
731	L	74.6	Confident	67.7	Low	34 Å²	34	55.3 Å²	55.3	18%	0.178	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-79.3	145.6	-176.5	-59.1	178.5	0	0	0	111.2	I735 L739 C750 L752	L731-I735 HydrophobicContact CB-CG2 4.39Å; L731-I735 HydrophobicContact CD1-CG2 4.33Å; L731-I735 HydrophobicContact CD2-CG2 4.49Å; L731-L739 HydrophobicContact CD1-CD1 3.71Å; L731-C750 HydrophobicContact CB-CB 4.15Å; L731-C750 HydrophobicContact CD1-CB 4.09Å; L731-C750 HydrophobicContact CG-CB 4.49Å; L731-C750 PolarHBondContact N-O 2.8Å; L731-L752 HydrophobicContact CD2-CB 4.06Å; L731-L752 HydrophobicContact CG-CB 4.34Å
732	T	71.3	Confident	67.6	Low	37 Å²	37	53.4 Å²	53.4	23%	0.227	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-63.5	149.6	178.2	79.1	0	0	0	0	110.8	R734 I735 C736 W820	T732-R734 PolarHBondContact O-N 2.74Å; T732-I735 HydrophobicContact CG2-CD1 4.25Å; T732-I735 PolarHBondContact O-N 2.68Å; T732-I735 WeakPolarHBondContact OG1-CG1 3.31Å; T732-I735 PolarHBondContact OG1-N 3.03Å; T732-C736 WeakPolarHBondContact O-CB 3.33Å; T732-C736 PolarHBondContact O-N 3.37Å; T732-W820 HydrophobicContact CG2-CH2 3.27Å; T732-W820 HydrophobicContact CG2-CZ2 3.73Å; T732-W820 HydrophobicContact CG2-CZ3 3.77Å
733	P	68.5	Low	67.8	Low	75 Å²	75	57.1 Å²	57.1	49%	0.487	31%	0.314	S	S	.	.	H	α-helix	trans	-54.3	-33.2	-178.8	-28.7	35.7	0	0	0	113.7	H737 W820	P733-H737 VanDerWaalsContact O-CB 3.28Å; P733-H737 WeakPolarHBondContact O-CB 3.34Å; P733-H737 PolarHBondContact O-N 2.95Å; P733-W820 HydrophobicContact CG-CG 4.11Å
734	R	68.8	Low	68.1	Low	136 Å²	136	57.1 Å²	57.1	51%	0.513	31%	0.312	S	S	.	.	H	α-helix	trans	-67.7	-44.1	176	-172.7	179.4	-178.9	-166.1	1.3	112.5	T732 C738 L827	T732-R734 PolarHBondContact O-N 2.74Å; R734-C738 WeakPolarHBondContact O-CB 3.34Å; R734-C738 PolarHBondContact O-N 3.16Å; R734-C738 VanDerWaalsContact O-N 3.12Å; R734-C738 PolarHBondContact O-SG 3.41Å; R734-L827 PolarHBondContact NH2-O 2.7Å
735	I	71.4	Confident	68.1	Low	69 Å²	69	60.5 Å²	60.5	35%	0.354	33%	0.334	S	S	.	.	H	α-helix	trans	-68.7	-46	178.3	-65.6	171.1	0	0	0	109.6	L731 T732 H737 C738 L739	L731-I735 HydrophobicContact CB-CG2 4.39Å; L731-I735 HydrophobicContact CD1-CG2 4.33Å; L731-I735 HydrophobicContact CD2-CG2 4.49Å; T732-I735 HydrophobicContact CG2-CD1 4.25Å; T732-I735 PolarHBondContact O-N 2.68Å; T732-I735 WeakPolarHBondContact OG1-CG1 3.31Å; T732-I735 PolarHBondContact OG1-N 3.03Å; I735-H737 PolarHBondContact O-N 2.79Å; I735-C738 PolarHBondContact O-N 2.63Å; I735-L739 HydrophobicContact CG2-CD1 3.91Å; I735-L739 HydrophobicContact CG2-CG 4.39Å; I735-L739 WeakPolarHBondContact O-CG 3.43Å; I735-L739 PolarHBondContact O-N 2.84Å
736	C	73.8	Confident	67.9	Low	5 Å²	5	65.1 Å²	65.1	3%	0.034	36%	0.361	C	S	.	.	H	α-helix	trans	-51.8	-52.4	174	-176.6	0	0	0	0	111.6	T732 C738 L739 Y740 L744 C750	T732-C736 WeakPolarHBondContact O-CB 3.33Å; T732-C736 PolarHBondContact O-N 3.37Å; C736-C738 PolarHBondContact O-N 2.92Å; C736-L739 PolarHBondContact O-N 2.84Å; C736-Y740 WeakPolarHBondContact O-CD2 3.38Å; C736-Y740 PolarHBondContact O-N 2.98Å; C736-L744 VanDerWaalsContact SG-CD1 3.5Å; C736-C750 WeakPolarHBondContact CA-SG 3.49Å; C736-C750 HydrophobicContact CB-CB 3.61Å; C736-C750 WeakPolarHBondContact CB-SG 3.24Å; C736-C750 WeakPolarHBondContact SG-CB 3.36Å; C736-C750 PolarHBondContact SG-N 2.96Å; C736-C750 CovalentContact SG-SG 2.03Å; C736-C750 PolarHBondContact SG-SG 3.48Å
737	H	70.4	Confident	68.1	Low	108 Å²	108	66.6 Å²	66.6	50%	0.5	38%	0.377	S	S	.	.	H	α-helix	trans	-62.6	-38	177.9	-171.3	93.9	0	0	0	113.6	P733 I735 Q741 G742	P733-H737 VanDerWaalsContact O-CB 3.28Å; P733-H737 WeakPolarHBondContact O-CB 3.34Å; P733-H737 PolarHBondContact O-N 2.95Å; I735-H737 PolarHBondContact O-N 2.79Å; H737-Q741 PolarHBondContact O-N 2.8Å; H737-G742 PolarHBondContact O-N 2.81Å
738	C	71.6	Confident	68.5	Low	21 Å²	21	66.4 Å²	66.4	14%	0.142	37%	0.372	C	S	.	.	H	α-helix	trans	-71.6	-29.1	179	-70.1	0	0	0	0	113.8	R734 I735 C736 C828 L832	R734-C738 WeakPolarHBondContact O-CB 3.34Å; R734-C738 PolarHBondContact O-N 3.16Å; R734-C738 VanDerWaalsContact O-N 3.12Å; R734-C738 PolarHBondContact O-SG 3.41Å; I735-C738 PolarHBondContact O-N 2.63Å; C736-C738 PolarHBondContact O-N 2.92Å; C738-C828 VanDerWaalsContact CA-SG 3.58Å; C738-C828 HydrophobicContact CB-CB 3.93Å; C738-C828 WeakPolarHBondContact CB-SG 3.17Å; C738-C828 VanDerWaalsContact SG-CA 3.52Å; C738-C828 WeakPolarHBondContact SG-CB 3.12Å; C738-C828 CovalentContact SG-SG 2.04Å; C738-C828 PolarHBondContact SG-SG 3.33Å; C738-L832 HydrophobicContact CB-CD1 4.47Å
739	L	68.6	Low	68.8	Low	80 Å²	80	67.2 Å²	67.2	42%	0.419	38%	0.376	S	S	.	.	H	α-helix	trans	-74.8	-43.3	177.7	-72.2	170.1	0	0	0	112.2	L731 I735 C736 L832	L731-L739 HydrophobicContact CD1-CD1 3.71Å; I735-L739 HydrophobicContact CG2-CD1 3.91Å; I735-L739 HydrophobicContact CG2-CG 4.39Å; I735-L739 WeakPolarHBondContact O-CG 3.43Å; I735-L739 PolarHBondContact O-N 2.84Å; C736-L739 PolarHBondContact O-N 2.84Å; L739-L832 HydrophobicContact CD2-CD2 4.2Å
740	Y	69.1	Low	69.1	Low	60 Å²	60	63.5 Å²	63.5	24%	0.235	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	24.9	-175	-54.8	-84.6	0	0	0	113.8	C736 G742 I743 L744 C750 E790 L791	C736-Y740 WeakPolarHBondContact O-CD2 3.38Å; C736-Y740 PolarHBondContact O-N 2.98Å; Y740-G742 PolarHBondContact O-N 2.84Å; Y740-I743 PolarHBondContact O-N 2.91Å; Y740-L744 HydrophobicContact CD2-CD1 4.19Å; Y740-L744 HydrophobicContact CD2-CD2 4.37Å; Y740-L744 HydrophobicContact CG-CD2 4.09Å; Y740-C750 VanDerWaalsContact CD2-SG 3.54Å; Y740-C750 HydrophobicContact CE2-CB 4.19Å; Y740-C750 WeakPolarHBondContact CE2-SG 3.46Å; Y740-E790 VanDerWaalsContact OH-CB 3.31Å; Y740-E790 WeakPolarHBondContact OH-CB 3.03Å; Y740-E790 PolarHBondContact OH-OE2 2.88Å; Y740-L791 HydrophobicContact CD1-CD1 4.48Å; Y740-L791 HydrophobicContact CD2-CD2 4.05Å; Y740-L791 HydrophobicContact CE1-CD2 4.44Å; Y740-L791 HydrophobicContact CE2-CD2 3.83Å; Y740-L791 HydrophobicContact CG-CD2 4.48Å
741	Q	58.6	Low	69.4	Low	145 Å²	145	62 Å²	62	68%	0.678	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.9	37.4	168.1	-58.5	-167	-5.4	0	0	116	H737 I743	H737-Q741 PolarHBondContact O-N 2.8Å; Q741-I743 PolarHBondContact O-N 2.88Å
742	G	54.4	Low	69.5	Low	40 Å²	40	63.2 Å²	63.2	41%	0.412	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	12.3	171.3	0	0	0	0	0	117.2	H737 Y740	H737-G742 PolarHBondContact O-N 2.81Å; Y740-G742 PolarHBondContact O-N 2.84Å
743	I	57.4	Low	69.6	Low	151 Å²	151	62.5 Å²	62.5	77%	0.774	34%	0.342	S	S	*	.			trans	-95.9	8.4	177.9	-41.6	-179.9	0	0	0	111.9	Y740 Q741	Y740-I743 PolarHBondContact O-N 2.91Å; Q741-I743 PolarHBondContact O-N 2.88Å
744	L	62.7	Low	69.8	Low	39 Å²	39	61.1 Å²	61.1	20%	0.204	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-74.3	132.9	179.6	-64.5	178.4	0	0	0	112.1	C736 Y740 T748 L791	C736-L744 VanDerWaalsContact SG-CD1 3.5Å; Y740-L744 HydrophobicContact CD2-CD1 4.19Å; Y740-L744 HydrophobicContact CD2-CD2 4.37Å; Y740-L744 HydrophobicContact CG-CD2 4.09Å; L744-T748 HydrophobicContact CD2-CG2 4.3Å; L744-L791 HydrophobicContact CD2-CD1 3.79Å; L744-L791 HydrophobicContact CD2-CD2 3.86Å; L744-L791 HydrophobicContact CD2-CG 4.49Å
745	P	60.8	Low	69.7	Low	85 Å²	85	63.3 Å²	63.3	55%	0.552	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-57.8	147.3	168.5	-24.7	34.2	0	0	0	112.5	G747 T748	P745-G747 PolarHBondContact O-N 2.97Å; P745-T748 WeakPolarHBondContact CD-OG1 3.46Å; P745-T748 WeakPolarHBondContact O-CB 3.44Å; P745-T748 PolarHBondContact O-N 2.84Å; P745-T748 PolarHBondContact O-OG1 2.66Å
746	P	62.2	Low	69.5	Low	128 Å²	128	63 Å²	63	83%	0.831	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	135.3	169.2	-23.6	34	0	0	0	110.6
747	G	70.4	Confident	69.1	Low	31 Å²	31	64.7 Å²	64.7	32%	0.32	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	10.6	-178.9	0	0	0	0	0	116.1	P745 A794	P745-G747 PolarHBondContact O-N 2.97Å; G747-A794 WeakPolarHBondContact O-CB 3.4Å; G747-A794 PolarHBondContact O-N 3.22Å
748	T	78.1	Confident	68.7	Low	28 Å²	28	64.5 Å²	64.5	17%	0.172	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	132.1	173.9	-49	0	0	0	0	111.6	L744 P745 L791 F792	L744-T748 HydrophobicContact CD2-CG2 4.3Å; P745-T748 WeakPolarHBondContact CD-OG1 3.46Å; P745-T748 WeakPolarHBondContact O-CB 3.44Å; P745-T748 PolarHBondContact O-N 2.84Å; P745-T748 PolarHBondContact O-OG1 2.66Å; T748-L791 HydrophobicContact CG2-CB 4.03Å; T748-L791 HydrophobicContact CG2-CD2 4.02Å; T748-L791 HydrophobicContact CG2-CG 4.48Å; T748-F792 CarbonylContact C-O 3.57Å; T748-F792 WeakPolarHBondContact CA-O 3.37Å
749	L	81.3	Confident	68.5	Low	28 Å²	28	69.3 Å²	69.3	15%	0.147	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	142	169.2	-60.6	168.2	0	0	0	109.8	L769 V781 L791 F792 A794	L749-L769 HydrophobicContact CD1-CD2 4.09Å; L749-V781 HydrophobicContact CD1-CG1 3.82Å; L749-L791 WeakPolarHBondContact O-CA 3.49Å; L749-F792 HydrophobicContact CB-CB 4.37Å; L749-F792 PolarHBondContact N-O 2.79Å; L749-F792 PolarHBondContact O-N 3.01Å; L749-A794 HydrophobicContact CD1-CB 3.95Å; L749-A794 HydrophobicContact CG-CB 4Å
750	C	81.8	Confident	68.3	Low	1 Å²	1	70.8 Å²	70.8	1%	0.007	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.1	169.7	-58.9	0	0	0	0	110.2	I730 L731 C736 Y740 E790 L791	I730-C750 WeakPolarHBondContact CG2-O 3.14Å; L731-C750 HydrophobicContact CB-CB 4.15Å; L731-C750 HydrophobicContact CD1-CB 4.09Å; L731-C750 HydrophobicContact CG-CB 4.49Å; L731-C750 PolarHBondContact N-O 2.8Å; C736-C750 WeakPolarHBondContact CA-SG 3.49Å; C736-C750 HydrophobicContact CB-CB 3.61Å; C736-C750 WeakPolarHBondContact CB-SG 3.24Å; C736-C750 WeakPolarHBondContact SG-CB 3.36Å; C736-C750 PolarHBondContact SG-N 2.96Å; C736-C750 CovalentContact SG-SG 2.03Å; C736-C750 PolarHBondContact SG-SG 3.48Å; Y740-C750 VanDerWaalsContact CD2-SG 3.54Å; Y740-C750 HydrophobicContact CE2-CB 4.19Å; Y740-C750 WeakPolarHBondContact CE2-SG 3.46Å; C750-E790 CarbonylContact C-O 3.49Å; C750-E790 VanDerWaalsContact CA-O 3.29Å; C750-E790 WeakPolarHBondContact CA-O 3.01Å; C750-L791 HydrophobicContact CB-CD2 4.26Å; C750-L791 WeakPolarHBondContact SG-CD2 3.41Å
751	V	81.9	Confident	68.1	Low	2 Å²	2	68.3 Å²	68.3	1%	0.012	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	149.5	177.1	-51	0	0	0	0	111.7	V728 I730 Y753 L769 E790 F792	V728-V751 HydrophobicContact CB-CB 4.12Å; V728-V751 HydrophobicContact CB-CG2 4.43Å; V728-V751 HydrophobicContact CG1-CB 4.47Å; V728-V751 HydrophobicContact CG1-CG2 4.23Å; V728-V751 HydrophobicContact CG2-CB 4.27Å; V728-V751 HydrophobicContact CG2-CG1 4.38Å; I730-V751 HydrophobicContact CG1-CG1 4.11Å; I730-V751 HydrophobicContact CG2-CG1 4.42Å; V751-Y753 HydrophobicContact CG2-CE2 4.22Å; V751-L769 HydrophobicContact CG1-CD1 4.29Å; V751-L769 HydrophobicContact CG1-CD2 3.79Å; V751-E790 PolarHBondContact N-O 3.41Å; V751-F792 HydrophobicContact CG1-CD2 3.98Å; V751-F792 HydrophobicContact CG1-CE2 4.27Å; V751-F792 HydrophobicContact CG2-CD2 3.99Å; V751-F792 HydrophobicContact CG2-CE2 3.57Å
752	L	77.6	Confident	68.8	Low	58 Å²	58	64 Å²	64	30%	0.304	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	124.2	172.3	-178.8	73.3	0	0	0	108.3	V728 S729 L731 L845	V728-L752 CarbonylContact C-O 3.48Å; V728-L752 VanDerWaalsContact CA-O 3.31Å; V728-L752 WeakPolarHBondContact CA-O 3.44Å; S729-L752 PolarHBondContact N-O 3.19Å; S729-L752 PolarHBondContact O-N 3.11Å; L731-L752 HydrophobicContact CD2-CB 4.06Å; L731-L752 HydrophobicContact CG-CB 4.34Å; L752-L845 HydrophobicContact CD1-CD1 4.1Å; L752-L845 HydrophobicContact CD1-CD2 4.31Å; L752-L845 HydrophobicContact CD2-CD2 3.95Å
753	Y	73.4	Confident	69.6	Low	23 Å²	23	63 Å²	63	9%	0.09	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	147.3	177.4	-73.3	-96.3	0	0	0	111.6	V712 A726 V728 V751 Q757 E758 R789	V712-Y753 HydrophobicContact CB-CE1 4.47Å; V712-Y753 HydrophobicContact CG2-CE1 4.33Å; A726-Y753 HydrophobicContact CB-CD1 3.97Å; A726-Y753 HydrophobicContact CB-CE1 3.74Å; V728-Y753 HydrophobicContact CG1-CD1 3.61Å; V728-Y753 HydrophobicContact CG1-CD2 4.37Å; V728-Y753 HydrophobicContact CG1-CE1 3.76Å; V728-Y753 HydrophobicContact CG1-CE2 4.47Å; V728-Y753 HydrophobicContact CG1-CG 3.94Å; V751-Y753 HydrophobicContact CG2-CE2 4.22Å; Y753-Q757 HydrophobicContact CD1-CB 4.15Å; Y753-E758 HydrophobicContact CD2-CG 4.44Å; Y753-E758 HydrophobicContact CG-CG 4.15Å; Y753-R789 HydrophobicContact CE2-CB 4.29Å; Y753-R789 WeakPolarHBondContact CE2-O 3.16Å; Y753-R789 PolarHBondContact OH-O 3.07Å
754	A	70.9	Confident	70.3	Confident	45 Å²	45	60.6 Å²	60.6	37%	0.372	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-67.7	158.9	165.3	0	0	0	0	0	110.8	A727 G756 Q757	A727-A754 HydrophobicContact CB-CB 4.32Å; A727-A754 PolarHBondContact O-N 3.41Å; A754-G756 PolarHBondContact O-N 2.81Å; A754-Q757 HydrophobicContact CB-CG 3.84Å; A754-Q757 VanDerWaalsContact O-CB 3.29Å; A754-Q757 WeakPolarHBondContact O-CB 3.48Å; A754-Q757 WeakPolarHBondContact O-CG 3.35Å; A754-Q757 PolarHBondContact O-N 2.85Å
755	E	68.3	Low	70.9	Confident	183 Å²	183	58.9 Å²	58.9	86%	0.855	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	132.1	-173.4	-166	170.8	-174.1	0	0	112.1	Q757	E755-Q757 PolarHBondContact O-N 3.48Å; E755-Q757 PolarHBondContact O-NE2 3.03Å
756	G	65.6	Low	72	Confident	61 Å²	61	54.9 Å²	54.9	63%	0.629	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	-1.8	-176.5	0	0	0	0	0	116.3	A754	A754-G756 PolarHBondContact O-N 2.81Å
757	Q	65.4	Low	72.9	Confident	42 Å²	42	48.8 Å²	48.8	20%	0.196	27%	0.272	C	S	.	.			trans	-84.8	-19.5	-178.1	-52.3	-51.7	-70.2	0	0	114	A726 Y753 A754 E755 N759 R760	A726-Q757 HydrophobicContact CB-CB 4.18Å; Y753-Q757 HydrophobicContact CD1-CB 4.15Å; A754-Q757 HydrophobicContact CB-CG 3.84Å; A754-Q757 VanDerWaalsContact O-CB 3.29Å; A754-Q757 WeakPolarHBondContact O-CB 3.48Å; A754-Q757 WeakPolarHBondContact O-CG 3.35Å; A754-Q757 PolarHBondContact O-N 2.85Å; E755-Q757 PolarHBondContact O-N 3.48Å; E755-Q757 PolarHBondContact O-NE2 3.03Å; Q757-N759 PolarHBondContact O-N 3.26Å; Q757-R760 WeakPolarHBondContact O-CB 3.19Å; Q757-R760 PolarHBondContact O-N 2.85Å
758	E	62.8	Low	73.6	Confident	104 Å²	104	47.3 Å²	47.3	49%	0.486	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-23	-171.9	-66.4	170.1	-167.3	0	0	116.4	Y753 R789	Y753-E758 HydrophobicContact CD2-CG 4.44Å; Y753-E758 HydrophobicContact CG-CG 4.15Å; E758-R789 PolarHBondContact O-NH1 2.03Å
759	N	67.9	Low	73.9	Confident	122 Å²	122	46 Å²	46	65%	0.652	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.4	13	-178	-69	-63.7	0	0	0	113	Q757 R789	Q757-N759 PolarHBondContact O-N 3.26Å; N759-R789 PolarHBondContact OD1-NH1 2.8Å
760	R	63.1	Low	73.8	Confident	110 Å²	110	44.6 Å²	44.6	42%	0.415	24%	0.241	S	C	.	.	S	Bend	trans	-83.9	-22.9	-176.8	-66.3	-172.1	75.4	-167.3	-0.6	114.6	V724 A725 A726 Q757	V724-R760 WeakPolarHBondContact CG2-O 3.27Å; A725-R760 PolarHBondContact O-NH1 3.12Å; A726-R760 HydrophobicContact CB-CB 4.42Å; Q757-R760 WeakPolarHBondContact O-CB 3.19Å; Q757-R760 PolarHBondContact O-N 2.85Å
761	C	65.4	Low	73.8	Confident	8 Å²	8	44.6 Å²	44.6	5%	0.054	24%	0.241	C	C	.	.	S	Bend	trans	-124.6	136.7	-175.4	-58	0	0	0	0	111.5	V724	V724-C761 HydrophobicContact CG2-CB 4.38Å
762	E	72.6	Confident	73.4	Confident	55 Å²	55	47 Å²	47	26%	0.257	25%	0.252	S	S	.	.			trans	-87.4	112.2	179.3	177	39.9	-123.4	0	0	112.1	W715 P718 T764 S765	W715-E762 PolarHBondContact O-N 2.81Å; P718-E762 HydrophobicContact CG-CB 4.46Å; P718-E762 HydrophobicContact CG-CG 3.76Å; E762-T764 PolarHBondContact O-N 3.09Å; E762-T764 VanDerWaalsContact OE1-CB 3.25Å; E762-T764 WeakPolarHBondContact OE1-CB 2.97Å; E762-T764 VanDerWaalsContact OE1-CG2 3.27Å; E762-T764 WeakPolarHBondContact OE1-CG2 3.46Å; E762-T764 PolarHBondContact OE1-N 3.39Å; E762-T764 PolarHBondContact OE1-OG1 2.98Å; E762-S765 PolarHBondContact O-N 2.91Å; E762-S765 PolarHBondContact O-OG 3Å
763	M	73	Confident	73.1	Confident	18 Å²	18	45.1 Å²	45.1	9%	0.089	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-77	-18.3	-168.7	-59	-54.2	-66.6	0	0	114.8	S765 A766 P767 A784 R789 F792	M763-S765 PolarHBondContact O-N 3.38Å; M763-A766 PolarHBondContact O-N 3.01Å; M763-P767 HydrophobicContact CE-CG 3.56Å; M763-P767 HydrophobicContact SD-CG 3.52Å; M763-P767 VanDerWaalsContact SD-CG 3.52Å; M763-A784 HydrophobicContact CE-CB 3.54Å; M763-R789 HydrophobicContact CG-CB 4.35Å; M763-R789 HydrophobicContact CG-CG 3.93Å; M763-F792 HydrophobicContact CE-CE2 4.46Å; M763-F792 HydrophobicContact CE-CZ 3.83Å
764	T	71.7	Confident	72.6	Confident	102 Å²	102	49.5 Å²	49.5	63%	0.626	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-64.7	-18.4	174.4	54.3	0	0	0	0	113.3	E762 A766	E762-T764 PolarHBondContact O-N 3.09Å; E762-T764 VanDerWaalsContact OE1-CB 3.25Å; E762-T764 WeakPolarHBondContact OE1-CB 2.97Å; E762-T764 VanDerWaalsContact OE1-CG2 3.27Å; E762-T764 WeakPolarHBondContact OE1-CG2 3.46Å; E762-T764 PolarHBondContact OE1-N 3.39Å; E762-T764 PolarHBondContact OE1-OG1 2.98Å; T764-A766 PolarHBondContact O-N 2.97Å
765	S	73.8	Confident	72.2	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.021	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-76.7	-0.5	171.7	71.1	0	0	0	0	114.1	T615 E762 M763	T615-S765 WeakPolarHBondContact CB-O 3.42Å; T615-S765 PolarHBondContact N-O 2.9Å; T615-S765 PolarHBondContact OG1-O 2.82Å; T615-S765 PolarHBondContact OG1-OG 3.25Å; E762-S765 PolarHBondContact O-N 2.91Å; E762-S765 PolarHBondContact O-OG 3Å; M763-S765 PolarHBondContact O-N 3.38Å
766	A	83.9	Confident	71.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.263	C	S	.	.			trans	51	60.1	-174.6	0	0	0	0	0	114	A627 C630 M763 T764 M783	A627-A766 HydrophobicContact CB-CB 3.61Å; C630-A766 HydrophobicContact CB-CB 4.01Å; M763-A766 PolarHBondContact O-N 3.01Å; T764-A766 PolarHBondContact O-N 2.97Å; A766-M783 WeakPolarHBondContact O-CE 3.27Å
767	P	81.3	Confident	71.8	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.239	C	C	.	.			trans	-63.9	146.3	-172.2	24.4	-33.8	0	0	0	113.7	V712 L713 M763 A784 F792	V712-P767 HydrophobicContact CG1-CB 3.85Å; V712-P767 HydrophobicContact CG1-CG 3.89Å; L713-P767 WeakPolarHBondContact O-CB 3.35Å; M763-P767 HydrophobicContact CE-CG 3.56Å; M763-P767 HydrophobicContact SD-CG 3.52Å; M763-P767 VanDerWaalsContact SD-CG 3.52Å; P767-A784 HydrophobicContact CG-CB 4.16Å; P767-A784 WeakPolarHBondContact O-CB 3.46Å; P767-A784 PolarHBondContact O-N 2.84Å; P767-F792 WeakPolarHBondContact O-CE1 3.43Å
768	P	85.6	Confident	72.1	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	150.3	173.1	31.9	-39.9	0	0	0	113.3	L603 T615 I617 L713 L770 L780 M783	L603-P768 HydrophobicContact CD1-CG 4.22Å; T615-P768 VanDerWaalsContact CG2-CD 3.47Å; T615-P768 HydrophobicContact CG2-CG 4.19Å; I617-P768 HydrophobicContact CD1-CB 4.22Å; I617-P768 HydrophobicContact CD1-CG 3.95Å; I617-P768 HydrophobicContact CG1-CB 3.88Å; I617-P768 HydrophobicContact CG1-CG 4.03Å; L713-P768 HydrophobicContact CB-CG 4.44Å; L713-P768 PolarHBondContact N-O 3.18Å; L713-P768 VanDerWaalsContact N-O 3.08Å; L713-P768 VanDerWaalsContact O-CD 3.24Å; L713-P768 WeakPolarHBondContact O-CD 3.29Å; P768-L770 HydrophobicContact CB-CD1 3.65Å; P768-L770 HydrophobicContact CG-CD1 3.83Å; P768-L780 HydrophobicContact CB-CD1 3.69Å; P768-M783 HydrophobicContact CB-CE 4.18Å; P768-M783 HydrophobicContact CB-SD 3.65Å
769	L	83.7	Confident	72.8	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	114.2	168.8	172.1	64.4	0	0	0	109	C710 V712 V728 I730 L749 V751 V781 G782 F792	C710-L769 HydrophobicContact CB-CD1 4.42Å; V712-L769 HydrophobicContact CG2-CD1 4.21Å; V728-L769 HydrophobicContact CG2-CD1 3.66Å; I730-L769 HydrophobicContact CD1-CD1 4.38Å; I730-L769 HydrophobicContact CD1-CD2 3.95Å; I730-L769 HydrophobicContact CD1-CG 4.44Å; L749-L769 HydrophobicContact CD1-CD2 4.09Å; V751-L769 HydrophobicContact CG1-CD1 4.29Å; V751-L769 HydrophobicContact CG1-CD2 3.79Å; L769-V781 PolarHBondContact O-N 3.1Å; L769-G782 PolarHBondContact N-O 3.36Å; L769-G782 PolarHBondContact O-N 2.98Å; L769-F792 HydrophobicContact CB-CD1 3.45Å; L769-F792 VanDerWaalsContact CB-CD1 3.45Å; L769-F792 HydrophobicContact CB-CE1 3.75Å; L769-F792 HydrophobicContact CB-CG 4.07Å; L769-F792 HydrophobicContact CD2-CB 4.15Å; L769-F792 HydrophobicContact CD2-CD1 4.29Å; L769-F792 HydrophobicContact CD2-CD2 4.44Å; L769-F792 HydrophobicContact CD2-CG 4.04Å; L769-F792 HydrophobicContact CG-CD1 4.47Å
770	L	81.1	Confident	73.7	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	151.7	177.3	-74.2	77.6	0	0	0	110.2	W602 I697 C710 W711 L713 P768 W778 V779 L780	W602-L770 HydrophobicContact CZ2-CD2 4.45Å; I697-L770 HydrophobicContact CD1-CD2 3.4Å; I697-L770 VanDerWaalsContact CD1-CD2 3.4Å; I697-L770 HydrophobicContact CD1-CG 4.07Å; C710-L770 WeakPolarHBondContact CA-O 3.24Å; W711-L770 PolarHBondContact N-O 3.18Å; W711-L770 PolarHBondContact O-N 3.27Å; L713-L770 HydrophobicContact CB-CD1 4.46Å; L713-L770 HydrophobicContact CD1-CD1 3.93Å; L713-L770 HydrophobicContact CD1-CD2 3.81Å; L713-L770 HydrophobicContact CD1-CG 4.34Å; L713-L770 HydrophobicContact CG-CD1 4.1Å; P768-L770 HydrophobicContact CB-CD1 3.65Å; P768-L770 HydrophobicContact CG-CD1 3.83Å; L770-W778 HydrophobicContact CB-CE3 3.98Å; L770-W778 HydrophobicContact CB-CZ3 4.15Å; L770-W778 HydrophobicContact CD2-CE3 4.04Å; L770-V779 VanDerWaalsContact CA-O 3.31Å; L770-V779 WeakPolarHBondContact CA-O 3.32Å; L770-L780 HydrophobicContact CD1-CD1 4.06Å; L770-L780 HydrophobicContact CG-CD1 4.38Å
771	C	79.8	Confident	74.6	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	147.9	167.9	-60.3	0	0	0	0	110.3	A708 S709 C710 V779 V781	A708-C771 HydrophobicContact CB-CB 4.06Å; S709-C771 CarbonylContact O-C 3.52Å; S709-C771 WeakPolarHBondContact O-CA 3.35Å; S709-C771 WeakPolarHBondContact O-CB 3.05Å; C710-C771 HydrophobicContact CB-CB 4.1Å; C710-C771 WeakPolarHBondContact CB-SG 3.35Å; C710-C771 WeakPolarHBondContact SG-CB 3.47Å; C710-C771 CovalentContact SG-SG 2.04Å; C710-C771 PolarHBondContact SG-SG 3.34Å; C771-V779 HydrophobicContact CB-CG2 4.24Å; C771-V779 PolarHBondContact N-O 2.87Å; C771-V779 VanDerWaalsContact O-CG2 3.31Å; C771-V779 WeakPolarHBondContact O-CG2 3.18Å; C771-V779 PolarHBondContact O-N 2.92Å; C771-V781 HydrophobicContact CB-CG2 3.91Å
772	Q	73.4	Confident	75.6	Confident	52 Å²	52	29.2 Å²	29.2	24%	0.243	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	124.4	170.7	-167	176.2	30.4	0	0	109	A708 S709 W711 G776 W778	A708-Q772 VanDerWaalsContact CA-O 3.22Å; A708-Q772 WeakPolarHBondContact CA-O 3.43Å; A708-Q772 VanDerWaalsContact CB-O 3.25Å; A708-Q772 WeakPolarHBondContact CB-O 3.44Å; S709-Q772 PolarHBondContact N-O 3.02Å; S709-Q772 PolarHBondContact O-N 3.27Å; W711-Q772 HydrophobicContact CH2-CB 4.27Å; W711-Q772 HydrophobicContact CZ3-CB 3.72Å; Q772-G776 WeakPolarHBondContact CG-O 3.29Å; Q772-G776 PolarHBondContact NE2-O 3.04Å; Q772-W778 HydrophobicContact CB-CD2 4.27Å; Q772-W778 HydrophobicContact CB-CE3 4.33Å; Q772-W778 HydrophobicContact CB-CH2 4.47Å; Q772-W778 HydrophobicContact CB-CZ2 4.4Å; Q772-W778 HydrophobicContact CB-CZ3 4.44Å; Q772-W778 HydrophobicContact CG-CD2 4.44Å
773	T	71.4	Confident	76.3	Confident	19 Å²	19	26.6 Å²	26.6	12%	0.117	15%	0.148	C	C	.	.			trans	-65	162.8	174.3	57.9	0	0	0	0	111.6	P705 E775 G776 S777 L812	P705-T773 HydrophobicContact CB-CG2 4.01Å; P705-T773 HydrophobicContact CG-CG2 3.9Å; T773-E775 PolarHBondContact O-N 2.77Å; T773-G776 PolarHBondContact O-N 3.47Å; T773-G776 PolarHBondContact OG1-N 3.18Å; T773-S777 PolarHBondContact N-O 3.25Å; T773-S777 WeakPolarHBondContact OG1-CA 3.4Å; T773-S777 WeakPolarHBondContact OG1-CB 3.43Å; T773-S777 PolarHBondContact OG1-N 3.27Å; T773-S777 PolarHBondContact OG1-O 3.31Å; T773-L812 HydrophobicContact CG2-CD1 4.48Å
774	T	64.6	Low	76.9	Confident	115 Å²	115	25.9 Å²	25.9	71%	0.706	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.5	171.9	45.2	0	0	0	0	113.5	G776	T774-G776 VanDerWaalsContact C-N 3.32Å
775	E	61	Low	77.4	Confident	173 Å²	173	22.9 Å²	22.9	81%	0.808	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-2.4	175.6	-64	173.9	179.2	0	0	112.8	T773	T773-E775 PolarHBondContact O-N 2.77Å
776	G	60.2	Low	77.7	Confident	22 Å²	22	29.6 Å²	29.6	23%	0.227	16%	0.158	C	C	.	.	S	Bend	trans	91.5	-11.2	177	0	0	0	0	0	115.2	Q772 T773 T774	Q772-G776 WeakPolarHBondContact CG-O 3.29Å; Q772-G776 PolarHBondContact NE2-O 3.04Å; T773-G776 PolarHBondContact O-N 3.47Å; T773-G776 PolarHBondContact OG1-N 3.18Å; T774-G776 VanDerWaalsContact C-N 3.32Å
777	S	65.3	Low	77	Confident	19 Å²	19	33.6 Å²	33.6	13%	0.133	20%	0.198	C	C	.	.			trans	-66.7	134.1	176.2	-58.3	0	0	0	0	111.9	G588 T773	G588-S777 WeakPolarHBondContact CA-OG 3.42Å; T773-S777 PolarHBondContact N-O 3.25Å; T773-S777 WeakPolarHBondContact OG1-CA 3.4Å; T773-S777 WeakPolarHBondContact OG1-CB 3.43Å; T773-S777 PolarHBondContact OG1-N 3.27Å; T773-S777 PolarHBondContact OG1-O 3.31Å
778	W	72.5	Confident	76.8	Confident	32 Å²	32	34.6 Å²	34.6	12%	0.121	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	136.1	174	-72.7	89.6	0	0	0	111.4	W602 I697 W711 L770 Q772	W602-W778 HydrophobicContact CH2-CB 3.97Å; W602-W778 AromaticContact CH2-CD1 3.79Å; W602-W778 AromaticContact CH2-CG 3.85Å; W602-W778 HydrophobicContact CH2-CG 3.85Å; W602-W778 HydrophobicContact CZ2-CB 4.05Å; W602-W778 HydrophobicContact CZ2-CD2 4.26Å; W602-W778 AromaticContact CZ2-CG 3.89Å; W602-W778 HydrophobicContact CZ2-CG 3.89Å; I697-W778 HydrophobicContact CD1-CB 4.41Å; W711-W778 HydrophobicContact CD2-CH2 4.12Å; W711-W778 HydrophobicContact CD2-CZ3 4.38Å; W711-W778 AromaticContact CE3-CH2 3.49Å; W711-W778 HydrophobicContact CE3-CH2 3.49Å; W711-W778 VanDerWaalsContact CE3-CH2 3.49Å; W711-W778 AromaticContact CE3-CZ3 3.52Å; W711-W778 HydrophobicContact CE3-CZ3 3.52Å; W711-W778 HydrophobicContact CH2-CH2 4.18Å; W711-W778 AromaticContact CZ3-CH2 3.52Å; W711-W778 HydrophobicContact CZ3-CH2 3.52Å; W711-W778 HydrophobicContact CZ3-CZ2 4.37Å; W711-W778 AromaticContact CZ3-CZ3 3.78Å; W711-W778 HydrophobicContact CZ3-CZ3 3.78Å; L770-W778 HydrophobicContact CB-CE3 3.98Å; L770-W778 HydrophobicContact CB-CZ3 4.15Å; L770-W778 HydrophobicContact CD2-CE3 4.04Å; Q772-W778 HydrophobicContact CB-CD2 4.27Å; Q772-W778 HydrophobicContact CB-CE3 4.33Å; Q772-W778 HydrophobicContact CB-CH2 4.47Å; Q772-W778 HydrophobicContact CB-CZ2 4.4Å; Q772-W778 HydrophobicContact CB-CZ3 4.44Å; Q772-W778 HydrophobicContact CG-CD2 4.44Å
779	V	78.4	Confident	76.2	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	142.3	174.9	-69.6	0	0	0	0	111.7	C698 H700 P705 L770 C771 V781 L812	C698-V779 HydrophobicContact CB-CG1 4.11Å; C698-V779 WeakPolarHBondContact O-CA 3.46Å; H700-V779 HydrophobicContact CB-CB 4.15Å; H700-V779 HydrophobicContact CB-CG1 4.17Å; H700-V779 HydrophobicContact CB-CG2 4.29Å; P705-V779 HydrophobicContact CG-CG2 3.9Å; L770-V779 VanDerWaalsContact CA-O 3.31Å; L770-V779 WeakPolarHBondContact CA-O 3.32Å; C771-V779 HydrophobicContact CB-CG2 4.24Å; C771-V779 PolarHBondContact N-O 2.87Å; C771-V779 VanDerWaalsContact O-CG2 3.31Å; C771-V779 WeakPolarHBondContact O-CG2 3.18Å; C771-V779 PolarHBondContact O-N 2.92Å; V779-V781 HydrophobicContact CG2-CG2 3.86Å; V779-L812 HydrophobicContact CG1-CD1 3.48Å; V779-L812 VanDerWaalsContact CG1-CD1 3.48Å; V779-L812 HydrophobicContact CG1-CG 4.2Å
780	L	85.7	Confident	76	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	125.3	166	-176	69.6	0	0	0	109.7	I617 L619 L625 I697 C698 L699 P768 L770 M783 I795	I617-L780 HydrophobicContact CB-CD2 4.28Å; I617-L780 HydrophobicContact CG1-CD1 4.22Å; I617-L780 HydrophobicContact CG2-CD2 3.96Å; L619-L780 HydrophobicContact CD2-CD2 4.34Å; L625-L780 HydrophobicContact CD2-CD2 3.69Å; I697-L780 HydrophobicContact CD1-CB 4.37Å; I697-L780 HydrophobicContact CG2-CB 4.04Å; C698-L780 PolarHBondContact O-N 3.34Å; L699-L780 HydrophobicContact CD2-CB 3.88Å; L699-L780 HydrophobicContact CD2-CD2 4.08Å; L699-L780 HydrophobicContact CD2-CG 4.48Å; P768-L780 HydrophobicContact CB-CD1 3.69Å; L770-L780 HydrophobicContact CD1-CD1 4.06Å; L770-L780 HydrophobicContact CG-CD1 4.38Å; L780-M783 HydrophobicContact CD1-SD 4.24Å; L780-I795 HydrophobicContact CD2-CD1 3.82Å; L780-I795 HydrophobicContact CD2-CG1 4.1Å; L780-I795 HydrophobicContact CG-CD1 4.14Å; L780-I795 HydrophobicContact CG-CG1 3.99Å
781	V	82.9	Confident	76.2	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.018	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-26.8	-176.2	-172.6	0	0	0	0	111.9	I704 L749 L769 C771 V779 A794 I795	I704-V781 HydrophobicContact CG1-CG1 4.26Å; L749-V781 HydrophobicContact CD1-CG1 3.82Å; L769-V781 PolarHBondContact O-N 3.1Å; C771-V781 HydrophobicContact CB-CG2 3.91Å; V779-V781 HydrophobicContact CG2-CG2 3.86Å; V781-A794 WeakPolarHBondContact O-CA 3.05Å; V781-I795 PolarHBondContact O-N 2.71Å
782	G	85.9	Confident	76.6	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.5	-179.6	170.1	0	0	0	0	0	115.3	L769 A793	L769-G782 PolarHBondContact N-O 3.36Å; L769-G782 PolarHBondContact O-N 2.98Å; G782-A793 CarbonylContact C-O 3.58Å; G782-A793 WeakPolarHBondContact CA-O 3.28Å
783	M	87.4	Confident	77.2	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	143.6	174	-58.5	-63.6	-67.8	0	0	110.3	L625 A627 L679 A766 P768 L780 F792 A793	L625-M783 HydrophobicContact CD2-CG 4.29Å; A627-M783 HydrophobicContact CB-CB 4.33Å; L679-M783 HydrophobicContact CD2-CB 3.7Å; L679-M783 HydrophobicContact CD2-CG 3.48Å; L679-M783 VanDerWaalsContact CD2-CG 3.48Å; A766-M783 WeakPolarHBondContact O-CE 3.27Å; P768-M783 HydrophobicContact CB-CE 4.18Å; P768-M783 HydrophobicContact CB-SD 3.65Å; L780-M783 HydrophobicContact CD1-SD 4.24Å; M783-F792 VanDerWaalsContact C-CD1 3.46Å; M783-F792 CarbonylContact O-C 3.59Å; M783-F792 VanDerWaalsContact O-CA 3.29Å; M783-F792 WeakPolarHBondContact O-CA 3.45Å; M783-A793 PolarHBondContact N-O 3.37Å; M783-A793 PolarHBondContact O-N 2.87Å
784	A	85.6	Confident	77.8	Confident	3 Å²	3	42.3 Å²	42.3	3%	0.025	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	142.4	179.7	0	0	0	0	0	112.5	H629 M763 P767 F792	H629-A784 PolarHBondContact CE1-O 2.9Å; H629-A784 VanDerWaalsContact CE1-O 3.3Å; M763-A784 HydrophobicContact CE-CB 3.54Å; P767-A784 HydrophobicContact CG-CB 4.16Å; P767-A784 WeakPolarHBondContact O-CB 3.46Å; P767-A784 PolarHBondContact O-N 2.84Å; A784-F792 VanDerWaalsContact CA-CD1 3.48Å; A784-F792 HydrophobicContact CB-CD1 4.04Å; A784-F792 HydrophobicContact CB-CE1 3.69Å; A784-F792 HydrophobicContact CB-CZ 4.08Å; A784-F792 VanDerWaalsContact N-CD1 3.25Å
785	V	82.1	Confident	78.7	Confident	39 Å²	39	36.8 Å²	36.8	24%	0.236	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-90.2	156.4	174.8	-47.2	0	0	0	0	111.6	G787 S788 L791 A793	V785-G787 PolarHBondContact O-N 3.39Å; V785-G787 VanDerWaalsContact O-N 3.11Å; V785-S788 PolarHBondContact O-N 3.3Å; V785-L791 HydrophobicContact CG2-CB 3.61Å; V785-L791 WeakPolarHBondContact CG2-O 3.48Å; V785-L791 PolarHBondContact N-O 2.99Å; V785-A793 HydrophobicContact CG1-CB 4.17Å
786	Q	80.7	Confident	79.5	Confident	144 Å²	144	29.3 Å²	29.3	67%	0.673	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	117	-172.3	-170.8	174.2	0.6	0	0	113	H629 S788	H629-Q786 HydrophobicContact CB-CB 4.01Å; H629-Q786 HydrophobicContact CB-CG 4.36Å; Q786-S788 VanDerWaalsContact C-N 3.3Å; Q786-S788 PolarHBondContact O-N 2.89Å
787	G	68.1	Low	80.5	Confident	83 Å²	83	32.2 Å²	32.2	86%	0.856	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.9	6.5	171.2	0	0	0	0	0	116	V785	V785-G787 PolarHBondContact O-N 3.39Å; V785-G787 VanDerWaalsContact O-N 3.11Å
788	S	76.3	Confident	81.3	Confident	22 Å²	22	32 Å²	32	15%	0.154	19%	0.187	C	C	.	.			trans	-105.5	146.2	172.1	-171.9	0	0	0	0	111.5	V785 Q786 E790 L791	V785-S788 PolarHBondContact O-N 3.3Å; Q786-S788 VanDerWaalsContact C-N 3.3Å; Q786-S788 PolarHBondContact O-N 2.89Å; S788-E790 PolarHBondContact OG-N 3.23Å; S788-E790 VanDerWaalsContact OG-N 3.15Å; S788-L791 PolarHBondContact OG-N 2.95Å
789	R	74.3	Confident	81.7	Confident	104 Å²	104	34.3 Å²	34.3	39%	0.392	20%	0.199	S	C	.	.	S	Bend	trans	-87.1	-29	166.4	-55	-152.5	169.2	170.6	-0.7	112.3	Y753 E758 N759 M763 F792	Y753-R789 HydrophobicContact CE2-CB 4.29Å; Y753-R789 WeakPolarHBondContact CE2-O 3.16Å; Y753-R789 PolarHBondContact OH-O 3.07Å; E758-R789 PolarHBondContact O-NH1 2.03Å; N759-R789 PolarHBondContact OD1-NH1 2.8Å; M763-R789 HydrophobicContact CG-CB 4.35Å; M763-R789 HydrophobicContact CG-CG 3.93Å; R789-F792 WeakPolarHBondContact O-CE2 3.46Å
790	E	79.9	Confident	81.7	Confident	87 Å²	87	38 Å²	38	41%	0.407	23%	0.23	S	C	.	.	S	Bend	trans	-103.8	-12.2	-162.6	-58.3	167.1	144.5	0	0	112.6	Y740 C750 V751 S788	Y740-E790 VanDerWaalsContact OH-CB 3.31Å; Y740-E790 WeakPolarHBondContact OH-CB 3.03Å; Y740-E790 PolarHBondContact OH-OE2 2.88Å; C750-E790 CarbonylContact C-O 3.49Å; C750-E790 VanDerWaalsContact CA-O 3.29Å; C750-E790 WeakPolarHBondContact CA-O 3.01Å; V751-E790 PolarHBondContact N-O 3.41Å; S788-E790 PolarHBondContact OG-N 3.23Å; S788-E790 VanDerWaalsContact OG-N 3.15Å
791	L	84.7	Confident	81.7	Confident	23 Å²	23	39.7 Å²	39.7	12%	0.12	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.3	-171.4	-60	176.6	0	0	0	112.1	Y740 L744 T748 L749 C750 V785 S788	Y740-L791 HydrophobicContact CD1-CD1 4.48Å; Y740-L791 HydrophobicContact CD2-CD2 4.05Å; Y740-L791 HydrophobicContact CE1-CD2 4.44Å; Y740-L791 HydrophobicContact CE2-CD2 3.83Å; Y740-L791 HydrophobicContact CG-CD2 4.48Å; L744-L791 HydrophobicContact CD2-CD1 3.79Å; L744-L791 HydrophobicContact CD2-CD2 3.86Å; L744-L791 HydrophobicContact CD2-CG 4.49Å; T748-L791 HydrophobicContact CG2-CB 4.03Å; T748-L791 HydrophobicContact CG2-CD2 4.02Å; T748-L791 HydrophobicContact CG2-CG 4.48Å; L749-L791 WeakPolarHBondContact O-CA 3.49Å; C750-L791 HydrophobicContact CB-CD2 4.26Å; C750-L791 WeakPolarHBondContact SG-CD2 3.41Å; V785-L791 HydrophobicContact CG2-CB 3.61Å; V785-L791 WeakPolarHBondContact CG2-O 3.48Å; V785-L791 PolarHBondContact N-O 2.99Å; S788-L791 PolarHBondContact OG-N 2.95Å
792	F	87.1	Confident	81.6	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	138.8	-177.6	-70.5	-105.7	0	0	0	110.4	V712 T748 L749 V751 M763 P767 L769 M783 A784 R789	V712-F792 HydrophobicContact CB-CZ 4.37Å; V712-F792 HydrophobicContact CG1-CE1 4.26Å; V712-F792 HydrophobicContact CG1-CZ 3.97Å; V712-F792 HydrophobicContact CG2-CE1 4.04Å; V712-F792 HydrophobicContact CG2-CE2 4.1Å; V712-F792 HydrophobicContact CG2-CZ 3.43Å; V712-F792 VanDerWaalsContact CG2-CZ 3.43Å; T748-F792 CarbonylContact C-O 3.57Å; T748-F792 WeakPolarHBondContact CA-O 3.37Å; L749-F792 HydrophobicContact CB-CB 4.37Å; L749-F792 PolarHBondContact N-O 2.79Å; L749-F792 PolarHBondContact O-N 3.01Å; V751-F792 HydrophobicContact CG1-CD2 3.98Å; V751-F792 HydrophobicContact CG1-CE2 4.27Å; V751-F792 HydrophobicContact CG2-CD2 3.99Å; V751-F792 HydrophobicContact CG2-CE2 3.57Å; M763-F792 HydrophobicContact CE-CE2 4.46Å; M763-F792 HydrophobicContact CE-CZ 3.83Å; P767-F792 WeakPolarHBondContact O-CE1 3.43Å; L769-F792 HydrophobicContact CB-CD1 3.45Å; L769-F792 VanDerWaalsContact CB-CD1 3.45Å; L769-F792 HydrophobicContact CB-CE1 3.75Å; L769-F792 HydrophobicContact CB-CG 4.07Å; L769-F792 HydrophobicContact CD2-CB 4.15Å; L769-F792 HydrophobicContact CD2-CD1 4.29Å; L769-F792 HydrophobicContact CD2-CD2 4.44Å; L769-F792 HydrophobicContact CD2-CG 4.04Å; L769-F792 HydrophobicContact CG-CD1 4.47Å; M783-F792 VanDerWaalsContact C-CD1 3.46Å; M783-F792 CarbonylContact O-C 3.59Å; M783-F792 VanDerWaalsContact O-CA 3.29Å; M783-F792 WeakPolarHBondContact O-CA 3.45Å; A784-F792 VanDerWaalsContact CA-CD1 3.48Å; A784-F792 HydrophobicContact CB-CD1 4.04Å; A784-F792 HydrophobicContact CB-CE1 3.69Å; A784-F792 HydrophobicContact CB-CZ 4.08Å; A784-F792 VanDerWaalsContact N-CD1 3.25Å; R789-F792 WeakPolarHBondContact O-CE2 3.46Å
793	A	86.4	Confident	81.1	Confident	6 Å²	6	42.3 Å²	42.3	5%	0.05	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	121.5	170.2	0	0	0	0	0	109.4	P678 L679 G782 M783 V785	P678-A793 HydrophobicContact CB-CB 3.57Å; P678-A793 HydrophobicContact CG-CB 3.66Å; L679-A793 HydrophobicContact CD2-CB 4.45Å; G782-A793 CarbonylContact C-O 3.58Å; G782-A793 WeakPolarHBondContact CA-O 3.28Å; M783-A793 PolarHBondContact N-O 3.37Å; M783-A793 PolarHBondContact O-N 2.87Å; V785-A793 HydrophobicContact CG1-CB 4.17Å
794	A	84	Confident	80.6	Confident	12 Å²	12	50.5 Å²	50.5	10%	0.099	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	152.5	-179.5	0	0	0	0	0	112.6	G747 L749 V781 P797	G747-A794 WeakPolarHBondContact O-CB 3.4Å; G747-A794 PolarHBondContact O-N 3.22Å; L749-A794 HydrophobicContact CD1-CB 3.95Å; L749-A794 HydrophobicContact CG-CB 4Å; V781-A794 WeakPolarHBondContact O-CA 3.05Å; A794-P797 HydrophobicContact CB-CG 4.22Å
795	I	83.7	Confident	79.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.303	C	S	.	.	S	Bend	trans	-75.5	-41.2	171.6	-54.7	-51	0	0	0	112	L625 L679 L699 L780 V781 P797 E798 E799 I802 F811	L625-I795 HydrophobicContact CD2-CD1 3.54Å; L679-I795 HydrophobicContact CD1-CD1 3.77Å; L699-I795 HydrophobicContact CB-CG2 4.42Å; L699-I795 HydrophobicContact CD1-CG2 4.12Å; L699-I795 HydrophobicContact CD2-CG2 4.08Å; L699-I795 HydrophobicContact CG-CG2 4.44Å; L780-I795 HydrophobicContact CD2-CD1 3.82Å; L780-I795 HydrophobicContact CD2-CG1 4.1Å; L780-I795 HydrophobicContact CG-CD1 4.14Å; L780-I795 HydrophobicContact CG-CG1 3.99Å; V781-I795 PolarHBondContact O-N 2.71Å; I795-P797 VanDerWaalsContact C-CD 3.47Å; I795-E798 CarbonylContact O-C 3.54Å; I795-E798 WeakPolarHBondContact O-CA 3.42Å; I795-E798 WeakPolarHBondContact O-CB 3.45Å; I795-E798 PolarHBondContact O-N 3.44Å; I795-E799 PolarHBondContact O-N 3.13Å; I795-I802 HydrophobicContact CG2-CD1 3.82Å; I795-F811 HydrophobicContact CG2-CE1 4.33Å
796	G	78.3	Confident	79.6	Confident	16 Å²	16	50.4 Å²	50.4	17%	0.165	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-49	-45.4	-172.9	0	0	0	0	0	116.8	P701 E798 E799	P701-G796 VanDerWaalsContact O-CA 3.31Å; P701-G796 WeakPolarHBondContact O-CA 3.07Å; G796-E798 PolarHBondContact O-N 2.8Å; G796-E798 VanDerWaalsContact O-N 3.09Å; G796-E799 VanDerWaalsContact O-CB 3.23Å; G796-E799 WeakPolarHBondContact O-CB 3.36Å; G796-E799 PolarHBondContact O-N 2.93Å; G796-E799 VanDerWaalsContact O-N 3.14Å
797	P	81.3	Confident	78.8	Confident	82 Å²	82	47.3 Å²	47.3	53%	0.532	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-60.5	-19.8	176.8	-22.3	32.6	0	0	0	114.8	A794 I795	A794-P797 HydrophobicContact CB-CG 4.22Å; I795-P797 VanDerWaalsContact C-CD 3.47Å
798	E	82.8	Confident	78.5	Confident	15 Å²	15	47.7 Å²	47.7	7%	0.07	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-107.5	3.8	-176.3	-61.8	-69.7	-171.3	0	0	112	P670 H672 L679 I795 G796 A800 W801 I802	P670-E798 WeakPolarHBondContact CB-OE2 3.31Å; P670-E798 WeakPolarHBondContact CG-OE1 3.34Å; P670-E798 WeakPolarHBondContact CG-OE2 3.25Å; H672-E798 IonicContact CD2-OE1 2.71Å; H672-E798 IonicContact CE1-OE1 3.65Å; H672-E798 IonicContact CE1-OE2 3.52Å; H672-E798 IonicContact NE2-OE1 3.39Å; H672-E798 PolarHBondContact NE2-OE1 2.77Å; H672-E798 IonicContact NE2-OE2 3.68Å; H672-E798 PolarHBondContact NE2-OE2 3.44Å; L679-E798 HydrophobicContact CD1-CB 4.48Å; L679-E798 HydrophobicContact CD1-CG 4.22Å; I795-E798 CarbonylContact O-C 3.54Å; I795-E798 WeakPolarHBondContact O-CA 3.42Å; I795-E798 WeakPolarHBondContact O-CB 3.45Å; I795-E798 PolarHBondContact O-N 3.44Å; G796-E798 PolarHBondContact O-N 2.8Å; G796-E798 VanDerWaalsContact O-N 3.09Å; E798-A800 PolarHBondContact O-N 3.32Å; E798-W801 HydrophobicContact CB-CE3 4.12Å; E798-W801 PolarHBondContact O-N 3.32Å; E798-I802 HydrophobicContact CB-CD1 4.05Å; E798-I802 HydrophobicContact CB-CG1 4.43Å; E798-I802 WeakPolarHBondContact O-CG1 3.02Å; E798-I802 PolarHBondContact O-N 3.24Å
799	E	80.4	Confident	78.2	Confident	80 Å²	80	47.1 Å²	47.1	37%	0.374	28%	0.275	S	S	.	.	H	α-helix	trans	-44.8	-56.2	179.9	170	-176.7	-165.1	0	0	112.5	P701 I795 G796 W801 I802 S803 F811	P701-E799 HydrophobicContact CB-CG 4.21Å; P701-E799 VanDerWaalsContact CB-OE1 3.26Å; P701-E799 WeakPolarHBondContact CB-OE1 3.35Å; P701-E799 VanDerWaalsContact CB-OE2 3.28Å; P701-E799 WeakPolarHBondContact CB-OE2 3.4Å; I795-E799 PolarHBondContact O-N 3.13Å; G796-E799 VanDerWaalsContact O-CB 3.23Å; G796-E799 WeakPolarHBondContact O-CB 3.36Å; G796-E799 PolarHBondContact O-N 2.93Å; G796-E799 VanDerWaalsContact O-N 3.14Å; E799-W801 VanDerWaalsContact C-N 3.3Å; E799-W801 PolarHBondContact O-N 3.39Å; E799-I802 PolarHBondContact O-N 3.44Å; E799-S803 WeakPolarHBondContact O-CB 3.46Å; E799-S803 PolarHBondContact O-N 2.03Å; E799-F811 HydrophobicContact CB-CE1 3.88Å; E799-F811 HydrophobicContact CB-CZ 4.23Å; E799-F811 HydrophobicContact CG-CD1 4.02Å; E799-F811 HydrophobicContact CG-CE1 3.74Å; E799-F811 HydrophobicContact CG-CZ 4.05Å
800	A	79.3	Confident	77.9	Confident	78 Å²	78	45.3 Å²	45.3	65%	0.645	27%	0.271	S	S	*	.	H	α-helix	trans	-64.8	-32.9	-176.1	0	0	0	0	0	112.7	E798 Q804	E798-A800 PolarHBondContact O-N 3.32Å; A800-Q804 WeakPolarHBondContact O-CB 3.05Å; A800-Q804 PolarHBondContact O-N 3.15Å; A800-Q804 VanDerWaalsContact O-N 3.09Å
801	W	85.4	Confident	77.5	Confident	35 Å²	35	42.9 Å²	42.9	13%	0.133	26%	0.259	C	S	.	.	H	α-helix	trans	-73.9	-42.7	175.6	165.7	59.6	0	0	0	111.6	R668 P670 L679 L681 E798 E799 Q804 T805	R668-W801 HydrophobicContact CB-CZ2 4.23Å; R668-W801 WeakPolarHBondContact O-CZ2 3.29Å; P670-W801 HydrophobicContact CB-CB 4.28Å; P670-W801 HydrophobicContact CB-CD2 3.53Å; P670-W801 HydrophobicContact CB-CE3 3.73Å; P670-W801 HydrophobicContact CB-CG 3.74Å; P670-W801 HydrophobicContact CB-CZ3 4.4Å; P670-W801 HydrophobicContact CG-CD2 3.85Å; P670-W801 HydrophobicContact CG-CE3 3.56Å; P670-W801 HydrophobicContact CG-CH2 4.22Å; P670-W801 HydrophobicContact CG-CZ2 4.45Å; P670-W801 HydrophobicContact CG-CZ3 3.77Å; L679-W801 HydrophobicContact CB-CZ3 4.41Å; L681-W801 HydrophobicContact CB-CH2 4.02Å; L681-W801 HydrophobicContact CB-CZ2 4.1Å; L681-W801 HydrophobicContact CD1-CH2 3.67Å; L681-W801 HydrophobicContact CD1-CZ2 3.57Å; L681-W801 HydrophobicContact CD1-CZ3 4.25Å; L681-W801 HydrophobicContact CG-CH2 3.54Å; L681-W801 HydrophobicContact CG-CZ2 3.87Å; L681-W801 HydrophobicContact CG-CZ3 4.25Å; E798-W801 HydrophobicContact CB-CE3 4.12Å; E798-W801 PolarHBondContact O-N 3.32Å; E799-W801 VanDerWaalsContact C-N 3.3Å; E799-W801 PolarHBondContact O-N 3.39Å; W801-Q804 PolarHBondContact O-N 2.78Å; W801-T805 VanDerWaalsContact CD1-OG1 3.26Å; W801-T805 PolarHBondContact NE1-OG1 3.12Å; W801-T805 VanDerWaalsContact O-CB 3.27Å; W801-T805 WeakPolarHBondContact O-CB 3.42Å; W801-T805 PolarHBondContact O-N 3.19Å; W801-T805 PolarHBondContact O-OG1 3.17Å
802	I	79.4	Confident	76.7	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.7	-47.6	178.8	-66.6	168	0	0	0	109.9	L619 L625 L681 L699 I795 E798 E799 Q804 T805 V806 A809 F811	L619-I802 HydrophobicContact CD1-CG2 4.02Å; L625-I802 HydrophobicContact CD1-CD1 4.39Å; L681-I802 HydrophobicContact CD1-CG1 4.44Å; L699-I802 HydrophobicContact CD1-CG2 3.75Å; I795-I802 HydrophobicContact CG2-CD1 3.82Å; E798-I802 HydrophobicContact CB-CD1 4.05Å; E798-I802 HydrophobicContact CB-CG1 4.43Å; E798-I802 WeakPolarHBondContact O-CG1 3.02Å; E798-I802 PolarHBondContact O-N 3.24Å; E799-I802 PolarHBondContact O-N 3.44Å; I802-Q804 PolarHBondContact O-N 2.8Å; I802-T805 PolarHBondContact O-N 2.04Å; I802-V806 WeakPolarHBondContact O-CA 3.31Å; I802-V806 WeakPolarHBondContact O-CB 3.4Å; I802-V806 PolarHBondContact O-N 3Å; I802-A809 HydrophobicContact CG2-CB 4.08Å; I802-F811 HydrophobicContact CB-CZ 4.12Å; I802-F811 HydrophobicContact CG2-CE2 4.28Å; I802-F811 HydrophobicContact CG2-CZ 4.03Å
803	S	76.2	Confident	75.4	Confident	59 Å²	59	48.4 Å²	48.4	41%	0.413	29%	0.294	S	S	.	.	H	α-helix	trans	-61.9	-38.8	176.3	178.1	0	0	0	0	112.7	E799 V806	E799-S803 WeakPolarHBondContact O-CB 3.46Å; E799-S803 PolarHBondContact O-N 2.03Å; S803-V806 CarbonylContact O-C 3.6Å
804	Q	75.9	Confident	73.9	Confident	173 Å²	173	51.6 Å²	51.6	81%	0.808	32%	0.316	S	S	*	.	H	α-helix	trans	-72.1	-29.8	176.3	-174.1	175.3	32.5	0	0	113.4	A800 W801 I802	A800-Q804 WeakPolarHBondContact O-CB 3.05Å; A800-Q804 PolarHBondContact O-N 3.15Å; A800-Q804 VanDerWaalsContact O-N 3.09Å; W801-Q804 PolarHBondContact O-N 2.78Å; I802-Q804 PolarHBondContact O-N 2.8Å
805	T	71.6	Confident	72.1	Confident	38 Å²	38	56.5 Å²	56.5	23%	0.233	35%	0.35	C	S	.	.	H	α-helix	trans	-88.8	-31.6	-178.9	-53	0	0	0	0	112.1	W623 R668 L681 W801 I802	W623-T805 HydrophobicContact CH2-CG2 3.83Å; W623-T805 HydrophobicContact CZ2-CG2 4.44Å; W623-T805 HydrophobicContact CZ3-CG2 4.06Å; R668-T805 HydrophobicContact CB-CG2 3.94Å; R668-T805 HydrophobicContact CG-CG2 3.86Å; L681-T805 HydrophobicContact CD1-CG2 3.67Å; W801-T805 VanDerWaalsContact CD1-OG1 3.26Å; W801-T805 PolarHBondContact NE1-OG1 3.12Å; W801-T805 VanDerWaalsContact O-CB 3.27Å; W801-T805 WeakPolarHBondContact O-CB 3.42Å; W801-T805 PolarHBondContact O-N 3.19Å; W801-T805 PolarHBondContact O-OG1 3.17Å; I802-T805 PolarHBondContact O-N 2.04Å
806	V	75.6	Confident	70.2	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.012	37%	0.374	C	S	.	.			trans	-127.9	82.2	-177.9	-169.2	0	0	0	0	107.4	A620 W623 L681 I802 S803 E808 A809	A620-V806 HydrophobicContact CB-CG1 3.66Å; W623-V806 HydrophobicContact CB-CG1 3.88Å; W623-V806 HydrophobicContact CB-CG2 4.01Å; W623-V806 HydrophobicContact CD2-CG1 4.46Å; W623-V806 HydrophobicContact CD2-CG2 3.62Å; W623-V806 HydrophobicContact CE3-CG2 3.93Å; W623-V806 HydrophobicContact CG-CB 4.29Å; W623-V806 HydrophobicContact CG-CG1 3.71Å; W623-V806 HydrophobicContact CG-CG2 3.67Å; L681-V806 HydrophobicContact CD1-CG2 3.65Å; L681-V806 HydrophobicContact CD2-CG2 3.95Å; L681-V806 HydrophobicContact CG-CG2 4.42Å; I802-V806 WeakPolarHBondContact O-CA 3.31Å; I802-V806 WeakPolarHBondContact O-CB 3.4Å; I802-V806 PolarHBondContact O-N 3Å; S803-V806 CarbonylContact O-C 3.6Å; V806-E808 PolarHBondContact O-N 2.82Å; V806-A809 HydrophobicContact CB-CB 3.88Å; V806-A809 HydrophobicContact CG1-CB 3.75Å; V806-A809 WeakPolarHBondContact O-CB 3.38Å; V806-A809 PolarHBondContact O-N 2.59Å
807	G	64.1	Low	68.2	Low	78 Å²	78	62.9 Å²	62.9	80%	0.804	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-14.8	179.7	0	0	0	0	0	114.4
808	E	62.7	Low	66.4	Low	91 Å²	91	63 Å²	63	43%	0.425	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-8.5	175	-68.1	167.5	-148	0	0	113.8	A620 R687 V806 H810	A620-E808 HydrophobicContact CB-CB 3.63Å; R687-E808 IonicContact CZ-OE1 2.66Å; R687-E808 VanDerWaalsContact CZ-OE1 3.23Å; R687-E808 IonicContact CZ-OE2 3.7Å; R687-E808 IonicContact NH1-OE1 3.74Å; R687-E808 PolarHBondContact NH1-OE1 3.1Å; R687-E808 IonicContact NH1-OE2 3.62Å; R687-E808 PolarHBondContact NH1-OE2 3.19Å; R687-E808 IonicContact NH2-OE1 3.49Å; R687-E808 PolarHBondContact NH2-OE1 3.06Å; V806-E808 PolarHBondContact O-N 2.82Å; E808-H810 PolarHBondContact O-N 2.75Å
809	A	68.7	Low	64.5	Low	11 Å²	11	70 Å²	70	9%	0.091	43%	0.433	C	S	.	.			trans	-74.9	119.4	-176.9	0	0	0	0	0	111.3	L699 I802 V806 F811	L699-A809 HydrophobicContact CD1-CB 4.37Å; I802-A809 HydrophobicContact CG2-CB 4.08Å; V806-A809 HydrophobicContact CB-CB 3.88Å; V806-A809 HydrophobicContact CG1-CB 3.75Å; V806-A809 WeakPolarHBondContact O-CB 3.38Å; V806-A809 PolarHBondContact O-N 2.59Å; A809-F811 HydrophobicContact CB-CE2 4.44Å
810	H	69.2	Low	62.8	Low	65 Å²	65	72.8 Å²	72.8	30%	0.301	44%	0.44	S	S	.	.			trans	-89.1	125.3	-173.7	-166.6	88	0	0	0	112.7	C587 L699 E808	C587-H810 PolarHBondContact SG-CD2 3.39Å; L699-H810 PolarHBondContact N-O 3.41Å; E808-H810 PolarHBondContact O-N 2.75Å
811	F	70.9	Confident	60.7	Low	36 Å²	36	74.3 Å²	74.3	16%	0.158	44%	0.443	C	S	.	.	B	Isolated β-bridge	trans	-107.5	126.6	173.6	-71.6	-98.2	0	0	0	110.2	L699 P701 I795 E799 I802 A809	L699-F811 HydrophobicContact CB-CD1 3.56Å; L699-F811 HydrophobicContact CB-CD2 4.45Å; L699-F811 HydrophobicContact CB-CE1 3.6Å; L699-F811 HydrophobicContact CB-CE2 4.48Å; L699-F811 HydrophobicContact CB-CG 4.01Å; L699-F811 HydrophobicContact CB-CZ 4.09Å; L699-F811 HydrophobicContact CD1-CD1 4.42Å; L699-F811 HydrophobicContact CD1-CD2 4.45Å; L699-F811 HydrophobicContact CD1-CE1 3.75Å; L699-F811 HydrophobicContact CD1-CE2 3.78Å; L699-F811 HydrophobicContact CD1-CZ 3.38Å; L699-F811 HydrophobicContact CG-CE1 4.33Å; L699-F811 HydrophobicContact CG-CZ 4.38Å; L699-F811 WeakPolarHBondContact O-CA 3.45Å; P701-F811 HydrophobicContact CB-CD1 4.15Å; I795-F811 HydrophobicContact CG2-CE1 4.33Å; E799-F811 HydrophobicContact CB-CE1 3.88Å; E799-F811 HydrophobicContact CB-CZ 4.23Å; E799-F811 HydrophobicContact CG-CD1 4.02Å; E799-F811 HydrophobicContact CG-CE1 3.74Å; E799-F811 HydrophobicContact CG-CZ 4.05Å; I802-F811 HydrophobicContact CB-CZ 4.12Å; I802-F811 HydrophobicContact CG2-CE2 4.28Å; I802-F811 HydrophobicContact CG2-CZ 4.03Å; A809-F811 HydrophobicContact CB-CE2 4.44Å
812	L	67.9	Low	58.6	Low	31 Å²	31	80.4 Å²	80.4	16%	0.162	49%	0.485	C	S	.	.			trans	-68.4	141.1	176.1	-64.2	-173.5	0	0	0	111.3	C698 L699 P701 T773 V779	C698-L812 HydrophobicContact CB-CD1 4.41Å; C698-L812 HydrophobicContact CB-CD2 4.22Å; C698-L812 HydrophobicContact CB-CG 4.06Å; L699-L812 PolarHBondContact O-N 3.07Å; P701-L812 VanDerWaalsContact CD-O 3.25Å; P701-L812 WeakPolarHBondContact CD-O 3.49Å; T773-L812 HydrophobicContact CG2-CD1 4.48Å; V779-L812 HydrophobicContact CG1-CD1 3.48Å; V779-L812 VanDerWaalsContact CG1-CD1 3.48Å; V779-L812 HydrophobicContact CG1-CG 4.2Å
813	P	59.8	Low	56.8	Low	108 Å²	108	83.8 Å²	83.8	70%	0.701	52%	0.519	S	S	*	.			trans	-66.9	136.5	-178.7	27.4	-34.8	0	0	0	112	S815	P813-S815 PolarHBondContact O-N 3.31Å
814	S	56	Low	54.9	Low	73 Å²	73	83.7 Å²	83.7	51%	0.51	53%	0.528	S	S	.	.			trans	-76.2	93.4	-178.8	42.3	0	0	0	0	112.1	G816	S814-G816 PolarHBondContact O-N 3.48Å
815	S	44.3	Very low	53.3	Low	116 Å²	116	79.5 Å²	79.5	81%	0.811	52%	0.518	S	S	*	.			trans	-72.9	42.6	177.3	52.9	0	0	0	0	114.3	P813	P813-S815 PolarHBondContact O-N 3.31Å
816	G	45.1	Very low	52.1	Low	49 Å²	49	85.7 Å²	85.7	51%	0.505	55%	0.549	S	S	.	.	S	Bend	trans	163.2	163.9	173.3	0	0	0	0	0	114.3	S814	S814-G816 PolarHBondContact O-N 3.48Å
817	S	36.3	Very low	51	Low	100 Å²	100	91.6 Å²	91.6	70%	0.699	58%	0.58	S	S	*	*	S	Bend	trans	-58	143	164.4	176.6	0	0	0	0	109.8	H819	S817-H819 PolarHBondContact O-N 3.46Å; S817-H819 VanDerWaalsContact O-N 3.16Å
818	P	43.6	Very low	50.6	Low	85 Å²	85	90.3 Å²	90.3	55%	0.552	56%	0.558	S	S	*	*			trans	-52.5	126	169.6	22.9	-33.8	0	0	0	109.5	W820	P818-W820 PolarHBondContact O-N 3.04Å
819	H	42.2	Very low	50.3	Low	163 Å²	163	88.5 Å²	88.5	76%	0.755	55%	0.554	S	S	*	*	S	Bend	trans	-75.8	7.8	-166.1	-128	76.5	0	0	0	114.5	S817	S817-H819 PolarHBondContact O-N 3.46Å; S817-H819 VanDerWaalsContact O-N 3.16Å
820	W	45.5	Very low	49.5	Very low	138 Å²	138	92.9 Å²	92.9	52%	0.523	58%	0.582	S	S	.	*	S	Bend	trans	-111.4	103.4	177.5	-56.6	118.8	0	0	0	109.3	T732 P733 P818 T822	T732-W820 HydrophobicContact CG2-CH2 3.27Å; T732-W820 HydrophobicContact CG2-CZ2 3.73Å; T732-W820 HydrophobicContact CG2-CZ3 3.77Å; P733-W820 HydrophobicContact CG-CG 4.11Å; P818-W820 PolarHBondContact O-N 3.04Å; W820-T822 PolarHBondContact O-N 3.31Å
821	P	35.5	Very low	48.6	Very low	110 Å²	110	95.9 Å²	95.9	71%	0.714	60%	0.596	S	S	*	*			trans	-59.7	132.1	177.3	-23.1	33.4	0	0	0	111.1	G823	P821-G823 PolarHBondContact O-N 3.02Å; P821-G823 VanDerWaalsContact O-N 3.1Å
822	T	41	Very low	47.5	Very low	163 Å²	163	96.7 Å²	96.7	100%	1	60%	0.602	S	S	*	*	S	Bend	trans	-70.3	1.2	173.3	46.7	0	0	0	0	113.5	W820	W820-T822 PolarHBondContact O-N 3.31Å
823	G	41.1	Very low	46.4	Very low	70 Å²	70	98.7 Å²	98.7	72%	0.722	62%	0.622	S	S	*	*			trans	-118.6	90.6	174.6	0	0	0	0	0	112.4	P821	P821-G823 PolarHBondContact O-N 3.02Å; P821-G823 VanDerWaalsContact O-N 3.1Å
824	G	35.9	Very low	45.7	Very low	58 Å²	58	102.3 Å²	102.3	60%	0.598	63%	0.627	S	S	*	*			trans	-148.4	138.9	169.4	0	0	0	0	0	109.4
825	S	43	Very low	45.2	Very low	85 Å²	85	101.5 Å²	101.5	59%	0.594	63%	0.625	S	S	*	*			trans	-65.6	143.7	-166.8	52.5	0	0	0	0	114	L827	S825-L827 PolarHBondContact O-N 3Å
826	N	46.3	Very low	45	Very low	168 Å²	168	100.4 Å²	100.4	90%	0.898	62%	0.617	S	S	*	*	S	Bend	trans	-71	44.5	-178.3	-68.5	-12.9	0	0	0	113.8
827	L	53.2	Low	45.1	Very low	126 Å²	126	101.8 Å²	101.8	66%	0.66	63%	0.632	S	S	*	*			trans	-122.7	114.3	175.7	-68.4	171.9	0	0	0	108.8	R734 S825	R734-L827 PolarHBondContact NH2-O 2.7Å; S825-L827 PolarHBondContact O-N 3Å
828	C	54.9	Low	45.4	Very low	50 Å²	50	100.6 Å²	100.6	34%	0.338	62%	0.623	S	S	.	*			trans	-63.5	149.6	166	-67.5	0	0	0	0	109.9	C738	C738-C828 VanDerWaalsContact CA-SG 3.58Å; C738-C828 HydrophobicContact CB-CB 3.93Å; C738-C828 WeakPolarHBondContact CB-SG 3.17Å; C738-C828 VanDerWaalsContact SG-CA 3.52Å; C738-C828 WeakPolarHBondContact SG-CB 3.12Å; C738-C828 CovalentContact SG-SG 2.04Å; C738-C828 PolarHBondContact SG-SG 3.33Å
829	P	56.1	Low	45.4	Very low	54 Å²	54	102.1 Å²	102.1	35%	0.351	63%	0.633	S	S	.	*			trans	-50.3	134.6	171.3	-27.5	35.3	0	0	0	111.2	E831 L832 A833	P829-E831 PolarHBondContact O-N 3.49Å; P829-L832 HydrophobicContact CB-CD1 4.41Å; P829-L832 HydrophobicContact CG-CD1 4.13Å; P829-L832 PolarHBondContact O-N 3.04Å; P829-L832 VanDerWaalsContact O-N 3.08Å; P829-A833 PolarHBondContact O-N 3.29Å
830	P	51	Low	45.4	Very low	103 Å²	103	104.1 Å²	104.1	67%	0.669	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-11.5	-169.5	25.5	-35.1	0	0	0	114.3
831	E	52	Low	45.2	Very low	127 Å²	127	100.1 Å²	100.1	59%	0.593	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-39.4	176.7	-59.8	179.4	127.7	0	0	111.7	P829 A833 K834 F844	P829-E831 PolarHBondContact O-N 3.49Å; E831-A833 VanDerWaalsContact C-N 3.31Å; E831-A833 PolarHBondContact O-N 3.36Å; E831-K834 PolarHBondContact O-N 2.75Å; E831-F844 HydrophobicContact CB-CZ 4.14Å
832	L	47.1	Very low	45.7	Very low	54 Å²	54	99.3 Å²	99.3	28%	0.283	62%	0.623	S	S	.	*	G	3₁₀ helix	trans	-65.3	-35.7	171.4	-76	170.7	0	0	0	111.5	C738 L739 P829 K834 A835	C738-L832 HydrophobicContact CB-CD1 4.47Å; L739-L832 HydrophobicContact CD2-CD2 4.2Å; P829-L832 HydrophobicContact CB-CD1 4.41Å; P829-L832 HydrophobicContact CG-CD1 4.13Å; P829-L832 PolarHBondContact O-N 3.04Å; P829-L832 VanDerWaalsContact O-N 3.08Å; L832-K834 PolarHBondContact O-N 3.48Å; L832-A835 WeakPolarHBondContact O-CB 3.27Å; L832-A835 PolarHBondContact O-N 3.38Å
833	A	44.9	Very low	45.8	Very low	72 Å²	72	98.4 Å²	98.4	60%	0.595	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-62.8	-7.8	176.7	0	0	0	0	0	114.6	P829 E831	P829-A833 PolarHBondContact O-N 3.29Å; E831-A833 VanDerWaalsContact C-N 3.31Å; E831-A833 PolarHBondContact O-N 3.36Å
834	K	44.3	Very low	46.2	Very low	184 Å²	184	99.2 Å²	99.2	80%	0.8	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-111.3	2.9	175.8	-70.3	-179.7	177.7	174.8	0	114	E831 L832	E831-K834 PolarHBondContact O-N 2.75Å; L832-K834 PolarHBondContact O-N 3.48Å
835	A	46.1	Very low	46.8	Very low	56 Å²	56	100 Å²	100	46%	0.463	58%	0.582	S	S	.	*			trans	-92.2	12.7	-173.4	0	0	0	0	0	114.7	L832 G837	L832-A835 WeakPolarHBondContact O-CB 3.27Å; L832-A835 PolarHBondContact O-N 3.38Å; A835-G837 PolarHBondContact O-N 3.28Å
836	S	40.4	Very low	47	Very low	93 Å²	93	100.8 Å²	100.8	65%	0.65	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	95.1	-178.7	58.7	0	0	0	0	112.6
837	G	47.5	Very low	46.9	Very low	79 Å²	79	97.7 Å²	97.7	81%	0.814	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	96.5	47.9	163.3	0	0	0	0	0	117	A835	A835-G837 PolarHBondContact O-N 3.28Å
838	S	42.1	Very low	46.5	Very low	74 Å²	74	95.9 Å²	95.9	52%	0.517	55%	0.552	S	S	.	*	S	Bend	trans	-157.6	146.1	171.4	-175.2	0	0	0	0	111.2	R840	S838-R840 PolarHBondContact O-N 3.11Å
839	P	43.7	Very low	46	Very low	117 Å²	117	97.1 Å²	97.1	76%	0.76	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	14.1	-175.1	26.2	-36.5	0	0	0	116.6	A841	P839-A841 PolarHBondContact O-N 2.6Å
840	R	40.9	Very low	45.3	Very low	206 Å²	206	100.5 Å²	100.5	78%	0.777	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-11.7	177.2	-75.5	-177	166.5	174.4	-4.2	114.6	S838 V842 H843 F844	S838-R840 PolarHBondContact O-N 3.11Å; R840-V842 VanDerWaalsContact C-N 3.27Å; R840-V842 PolarHBondContact O-N 3.29Å; R840-H843 PolarHBondContact O-N 2.98Å; R840-F844 PolarHBondContact O-N 3.08Å
841	A	42.4	Very low	44.7	Very low	54 Å²	54	101.9 Å²	101.9	45%	0.446	57%	0.574	S	S	.	*	H	α-helix	trans	-55.6	-39.8	177	0	0	0	0	0	113	P839 H843 F844 L845	P839-A841 PolarHBondContact O-N 2.6Å; A841-H843 PolarHBondContact O-N 3.46Å; A841-F844 PolarHBondContact O-N 2.99Å; A841-F844 VanDerWaalsContact O-N 3.07Å; A841-L845 PolarHBondContact O-N 3.48Å; A841-L845 VanDerWaalsContact O-N 3.1Å
842	V	45.4	Very low	44.1	Very low	92 Å²	92	102.1 Å²	102.1	56%	0.558	58%	0.577	S	S	*	*	H	α-helix	trans	-60.6	-42.2	-178.4	-175.3	0	0	0	0	112.1	R840 F844 L846	R840-V842 VanDerWaalsContact C-N 3.27Å; R840-V842 PolarHBondContact O-N 3.29Å; V842-F844 VanDerWaalsContact C-N 3.29Å; V842-F844 PolarHBondContact O-N 3.31Å; V842-L846 PolarHBondContact O-N 3Å
843	H	43.9	Very low	43.5	Very low	144 Å²	144	108 Å²	108	67%	0.667	60%	0.603	S	S	*	*	H	α-helix	trans	-70.2	-23.3	177.4	-81.5	27.7	0	0	0	113.4	R840 A841	R840-H843 PolarHBondContact O-N 2.98Å; A841-H843 PolarHBondContact O-N 3.46Å
844	F	48.8	Very low	42.8	Very low	88 Å²	88	112.1 Å²	112.1	39%	0.386	63%	0.628	S	S	.	*	H	α-helix	trans	-83	-34.1	178.7	-139.3	-90.1	0	0	0	112.1	E831 R840 A841 V842 L846 L847 L848	E831-F844 HydrophobicContact CB-CZ 4.14Å; R840-F844 PolarHBondContact O-N 3.08Å; A841-F844 PolarHBondContact O-N 2.99Å; A841-F844 VanDerWaalsContact O-N 3.07Å; V842-F844 VanDerWaalsContact C-N 3.29Å; V842-F844 PolarHBondContact O-N 3.31Å; F844-L846 VanDerWaalsContact C-N 3.34Å; F844-L847 PolarHBondContact O-N 3.25Å; F844-L848 HydrophobicContact CD1-CD1 4.29Å; F844-L848 PolarHBondContact O-N 3.26Å
845	L	49	Very low	42.7	Very low	75 Å²	75	108.5 Å²	108.5	39%	0.393	62%	0.619	S	S	.	*	H	α-helix	trans	-61.7	-40.9	171.3	-74.7	161.9	0	0	0	111.8	L752 A841 L847 L848 T849	L752-L845 HydrophobicContact CD1-CD1 4.1Å; L752-L845 HydrophobicContact CD1-CD2 4.31Å; L752-L845 HydrophobicContact CD2-CD2 3.95Å; A841-L845 PolarHBondContact O-N 3.48Å; A841-L845 VanDerWaalsContact O-N 3.1Å; L845-L847 PolarHBondContact O-N 3.05Å; L845-L848 PolarHBondContact O-N 3.31Å; L845-T849 PolarHBondContact O-N 3.27Å
846	L	46.5	Very low	42.5	Very low	100 Å²	100	111.3 Å²	111.3	52%	0.524	63%	0.627	S	S	.	*	H	α-helix	trans	-64.4	-18.3	174.1	-86.6	161.8	0	0	0	115	V842 F844 T849	V842-L846 PolarHBondContact O-N 3Å; F844-L846 VanDerWaalsContact C-N 3.34Å; L846-T849 PolarHBondContact O-OG1 3.15Å
847	L	44.6	Very low	42.6	Very low	104 Å²	104	112.3 Å²	112.3	55%	0.545	63%	0.626	S	S	.	*	H	α-helix	trans	-89.3	-27.1	174	-87.8	160.2	0	0	0	112.6	F844 L845	F844-L847 PolarHBondContact O-N 3.25Å; L845-L847 PolarHBondContact O-N 3.05Å
848	L	44.9	Very low	42.4	Very low	87 Å²	87	114.2 Å²	114.2	46%	0.455	62%	0.615	S	S	.	*	H	α-helix	trans	-74.3	-34.7	176.2	-93.3	146.3	0	0	0	112.6	F844 L845 L850 L851 I852	F844-L848 HydrophobicContact CD1-CD1 4.29Å; F844-L848 PolarHBondContact O-N 3.26Å; L845-L848 PolarHBondContact O-N 3.31Å; L848-L850 VanDerWaalsContact C-N 3.31Å; L848-L850 PolarHBondContact O-N 3.34Å; L848-L851 PolarHBondContact O-N 2.8Å; L848-L851 VanDerWaalsContact O-N 3.12Å; L848-I852 WeakPolarHBondContact O-CD1 3.5Å; L848-I852 WeakPolarHBondContact O-CG1 3.25Å; L848-I852 PolarHBondContact O-N 3.4Å
849	T	45	Very low	42.4	Very low	77 Å²	77	116.8 Å²	116.8	47%	0.472	62%	0.621	S	S	.	*	H	α-helix	trans	-62.4	-36.6	176.4	49.2	0	0	0	0	112.7	L845 L846 L851 I852	L845-T849 PolarHBondContact O-N 3.27Å; L846-T849 PolarHBondContact O-OG1 3.15Å; T849-L851 PolarHBondContact O-N 3.09Å; T849-I852 PolarHBondContact O-N 2.97Å
850	L	40.3	Very low	42.3	Very low	125 Å²	125	116.7 Å²	116.7	65%	0.654	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-19.8	175.1	-80.6	163.9	0	0	0	114.1	L848	L848-L850 VanDerWaalsContact C-N 3.31Å; L848-L850 PolarHBondContact O-N 3.34Å
851	L	38.7	Very low	42.4	Very low	132 Å²	132	110.4 Å²	110.4	69%	0.691	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	0.4	178	-86.8	160.1	0	0	0	113.5	L848 T849	L848-L851 PolarHBondContact O-N 2.8Å; L848-L851 VanDerWaalsContact O-N 3.12Å; T849-L851 PolarHBondContact O-N 3.09Å
852	I	40.3	Very low	42.4	Very low	131 Å²	131	114.7 Å²	114.7	67%	0.672	61%	0.612	S	S	*	*	S	Bend	trans	-110	-5	-179.3	-66	165.4	0	0	0	111.2	L848 T849	L848-I852 WeakPolarHBondContact O-CD1 3.5Å; L848-I852 WeakPolarHBondContact O-CG1 3.25Å; L848-I852 PolarHBondContact O-N 3.4Å; T849-I852 PolarHBondContact O-N 2.97Å
853	Q	33.5	Very low	42.1	Very low	177 Å²	177	116.6 Å²	116.6	83%	0.827	62%	0.616	S	S	*	*			trans	-108.8	25.9	177.7	-65.5	-168.7	-20	0	0	113.5
854	S	30.1	Very low	42	Very low	159 Å²	159	114.1 Å²	114.1	100%	1.112	61%	0.612	S	S	*	*			trans	-134.2	0	175.9	62.6	0	0	0	0	113.5

Retrieved 854 of 854 residues in 241.3 ms (Link to these results)

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