A0A096MVR7_PAPAN Loading...

ADAM metallopeptidase domain 9

AlphaFold DB , UniProt , Accession A0A096MVR7, Species PAPAN (Papio anubis, Olive baboon), Gene ADAM9, Length 819 aa.

						>A0A096MVR7_PAPAN|A0A096MVR7|ADAM9
MGSGVGSPSGTLRVRWLLLLCLVGPVLGAARPGFQQTSHLSSYEIITPWRLTRERREAPRPYSKQVSYVIQAEGKEHIIHLERNKDLLPEDFVVYTYNKEGTVITDHPNIQNHCHFRGYVEGVYNSSVALSNCFGLRGLLHLENASYGIEPLQNSSHFEHIIYRMDDVHKEPLKCGVSNKDIEKETTKDEEEEPPSMTQLLRRRRAVLPQTRYVELFIVVDKERYDMMGRNQTAVREEMILLANYLDSMYIMLNIRIVLVGLEIWTNGNLINIAGGAGDVLGNFVQWREKFLITRRRHDSAQLVLKKGFGGTAGMAFVGTVCSRSHAGGINVFGQITVETFASIVAHELGHNLGMNHDDGRDCSCGAKSCIMNSGASGSRNFSSCSAEDFEKLTLNKGGNCLLNIPKPDEAYSAPSCGNKLVDAGEECDCGTPKECELDPCCEGSTCKLKSFAECAYGDCCKDCRFLPGGTLCRGKTSECDVPEYCNGSSQFCQPDVFIQNGYPCQNNKAYCYNGMCQYYDAQCQVIFGSKAKAAPKDCFIEVNSKGDRFGNCGFSGNEYKKCATGNALCGKLQCENVQEIPVFGIVPAIIQTPSRGTKCWGVDFQLGSDVPDPGMVNEGTKCGADKICRNFQCVDASVLNYDCDIQKKCHGHGVCNSNKNCHCENGWAPPNCETKGYGGSVDSGPTYNEMNTALRDGLLVFFFLIVPLIVCAIFIFIKRDQLWRSYFRKKRSQTYESDGKNQANPSRQPVSVPRHVSPVTPPREVPIYANRFPVPTYAAKQPQQFPSRPPPPQPKVSSQGNLIPARPAPAPPLYSSLT
					

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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	35.5	Very low	35.6	Very low	249 Å²	249	118.9 Å²	118.9	100%	1.227	83%	0.834	S	S	*	*				0	124.3	0	-61	165.2	172.7	0	0	106.7
2	G	33.5	Very low	35.5	Very low	64 Å²	64	123.3 Å²	123.3	66%	0.66	84%	0.84	S	S	*	*			cis	-158.1	140.7	-14.4	0	0	0	0	0	107.2
3	S	39.2	Very low	35.7	Very low	136 Å²	136	131.8 Å²	131.8	95%	0.951	84%	0.843	S	S	*	*				81.2	105.4	76.5	-59	0	0	0	0	113.3
4	G	30.9	Very low	36.1	Very low	80 Å²	80	131.1 Å²	131.1	83%	0.825	84%	0.836	S	S	*	*			trans	178.8	146.7	174.9	0	0	0	0	0	111.7
5	V	46.4	Very low	36	Very low	161 Å²	161	137.8 Å²	137.8	98%	0.976	84%	0.838	S	S	*	*			trans	-98.1	125.8	-170.9	174.9	0	0	0	0	112.3
6	G	32.9	Very low	36.2	Very low	64 Å²	64	143.6 Å²	143.6	66%	0.66	84%	0.841	S	S	*	*			trans	150.6	135.2	159.9	0	0	0	0	0	116.3
7	S	32.2	Very low	36.4	Very low	123 Å²	123	143.2 Å²	143.2	86%	0.86	83%	0.833	S	S	*	*			trans	62.7	174.2	165.7	-102.9	0	0	0	0	117.6
8	P	46.8	Very low	36.6	Very low	110 Å²	110	143 Å²	143	71%	0.714	83%	0.827	S	S	*	*			cis	-136.2	179.7	-27.5	39.1	-23.6	0	0	0	114.5
9	S	33	Very low	36.5	Very low	130 Å²	130	143.5 Å²	143.5	91%	0.909	83%	0.826	S	S	*	*			trans	67	164	146.3	-155.1	0	0	0	0	120.6
10	G	27.2	Very low	36.5	Very low	54 Å²	54	144 Å²	144	56%	0.557	83%	0.825	S	S	*	*			trans	146.7	73.5	168.4	0	0	0	0	0	118.7
11	T	33.7	Very low	36.5	Very low	137 Å²	137	142.2 Å²	142.2	84%	0.84	82%	0.82	S	S	*	*			trans	33.7	90	148	55.5	0	0	0	0	120.3
12	L	35.2	Very low	36.7	Very low	172 Å²	172	138 Å²	138	90%	0.901	80%	0.801	S	S	*	*			trans	-149.7	41.8	166.1	-129.1	149.9	0	0	0	115.4
13	R	37.3	Very low	36.9	Very low	233 Å²	233	141.1 Å²	141.1	88%	0.879	81%	0.807	S	S	*	*			trans	-135.6	16.9	178.3	-91.2	-166	175	-165.5	-0.7	116.7
14	V	41.2	Very low	36.5	Very low	122 Å²	122	137.6 Å²	137.6	74%	0.739	79%	0.792	S	S	*	*	S	Bend	trans	-92.7	-19.2	-173.4	-176.1	0	0	0	0	114
15	R	35.6	Very low	36.8	Very low	232 Å²	232	138.9 Å²	138.9	88%	0.875	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	1.3	-169	-122.7	179.2	-175.6	-178.4	0.9	117.1
16	W	39	Very low	36.5	Very low	231 Å²	231	138.3 Å²	138.3	88%	0.875	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-2.5	-177.9	-83.5	98.9	0	0	0	115.1
17	L	39	Very low	36.5	Very low	137 Å²	137	142.8 Å²	142.8	72%	0.717	79%	0.79	S	S	*	*	S	Bend	trans	-96.5	0.1	-176.9	-81.5	163.2	0	0	0	115
18	L	39.7	Very low	36.5	Very low	139 Å²	139	140.4 Å²	140.4	73%	0.728	79%	0.786	S	S	*	*	S	Bend	trans	-106.1	-2.4	-173.7	-86.2	163.5	0	0	0	115.6
19	L	35.5	Very low	35.6	Very low	153 Å²	153	140 Å²	140	80%	0.801	79%	0.792	S	S	*	*	S	Bend	trans	-100.7	-9.6	177.3	-98.2	79.8	0	0	0	114.9
20	L	36.8	Very low	35.7	Very low	153 Å²	153	138.1 Å²	138.1	80%	0.801	78%	0.784	S	S	*	*	G	3₁₀ helix	trans	-87	-4.4	-179.2	-90.4	157.1	0	0	0	114.3
21	C	37.1	Very low	36.1	Very low	106 Å²	106	145.6 Å²	145.6	72%	0.716	80%	0.795	S	S	*	*	G	3₁₀ helix	trans	-90.2	6.7	-176.7	-58.9	0	0	0	0	114.8
22	L	38.5	Very low	36.3	Very low	160 Å²	160	143.9 Å²	143.9	84%	0.838	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-126.7	10.1	-173	-77.9	172.1	0	0	0	115.3
23	V	37.4	Very low	36.4	Very low	131 Å²	131	137 Å²	137	79%	0.794	76%	0.757	S	S	*	*			trans	-129.8	69.5	166.4	-169.6	0	0	0	0	109.2
24	G	31.6	Very low	37	Very low	61 Å²	61	133.8 Å²	133.8	63%	0.629	75%	0.75	S	S	*	*			trans	-73.1	124.1	167.3	0	0	0	0	0	109.8	V26	G24-V26 PolarHBondContact O-N 3.31Å
25	P	36.1	Very low	37.8	Very low	107 Å²	107	135.9 Å²	135.9	70%	0.695	75%	0.751	S	S	*	*			trans	-68	123	173.8	27.6	-32.6	0	0	0	109.6	L27	P25-L27 PolarHBondContact O-N 2.86Å
26	V	40.1	Very low	39.7	Very low	149 Å²	149	125.3 Å²	125.3	90%	0.903	71%	0.712	S	S	*	*	S	Bend	trans	-78.5	64.4	173.4	-173.1	0	0	0	0	109.3	G24	G24-V26 PolarHBondContact O-N 3.31Å
27	L	34.1	Very low	41.6	Very low	158 Å²	158	115.1 Å²	115.1	83%	0.827	68%	0.675	S	S	*	*			trans	-143.9	117.9	178.7	-74	174	0	0	0	108	P25	P25-L27 PolarHBondContact O-N 2.86Å
28	G	31.6	Very low	43.5	Very low	74 Å²	74	112.4 Å²	112.4	76%	0.763	67%	0.667	S	S	*	*			trans	130.3	9.5	179.2	0	0	0	0	0	116.6	A30	G28-A30 PolarHBondContact O-N 3.12Å
29	A	29	Very low	45.2	Very low	101 Å²	101	107.7 Å²	107.7	84%	0.835	64%	0.642	S	S	*	*			trans	-63	101.5	157.7	0	0	0	0	0	108	R31	A29-R31 PolarHBondContact O-N 2.89Å; A29-R31 VanDerWaalsContact O-N 3.16Å
30	A	33.5	Very low	47.5	Very low	90 Å²	90	101 Å²	101	74%	0.744	61%	0.607	S	S	*	*			trans	-60.1	118.2	-174.7	0	0	0	0	0	110.2	G28 P32	G28-A30 PolarHBondContact O-N 3.12Å; A30-P32 WeakPolarHBondContact O-CD 3.47Å
31	R	36.6	Very low	49.8	Very low	212 Å²	212	97.5 Å²	97.5	80%	0.8	60%	0.595	S	S	*	*			trans	-64.3	125.7	174.2	-76.4	-176.7	170.7	-175.1	-3.5	108.4	A29 G33 F34	A29-R31 PolarHBondContact O-N 2.89Å; A29-R31 VanDerWaalsContact O-N 3.16Å; R31-G33 PolarHBondContact O-N 2.72Å; R31-F34 PolarHBondContact O-N 3.16Å; R31-F34 VanDerWaalsContact O-N 3.13Å
32	P	36.8	Very low	52.1	Low	101 Å²	101	95.4 Å²	95.4	66%	0.656	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-55.2	-25.7	-171.5	-31.2	36.7	0	0	0	116.3	A30 F34	A30-P32 WeakPolarHBondContact O-CD 3.47Å; P32-F34 VanDerWaalsContact C-N 3.29Å; P32-F34 PolarHBondContact O-N 3.31Å
33	G	37.6	Very low	54.6	Low	27 Å²	27	92.5 Å²	92.5	28%	0.278	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-68.3	-17.1	179.6	0	0	0	0	0	115.8	R31 Q35 Q36	R31-G33 PolarHBondContact O-N 2.72Å; G33-Q35 PolarHBondContact O-N 3.28Å; G33-Q35 VanDerWaalsContact O-N 3.13Å; G33-Q36 PolarHBondContact O-N 2.89Å; G33-Q36 VanDerWaalsContact O-N 3.14Å
34	F	49.5	Very low	57.2	Low	166 Å²	166	89.5 Å²	89.5	73%	0.728	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-67.5	-15.9	-173	-122.4	-80	0	0	0	114.6	R31 P32	R31-F34 PolarHBondContact O-N 3.16Å; R31-F34 VanDerWaalsContact O-N 3.13Å; P32-F34 VanDerWaalsContact C-N 3.29Å; P32-F34 PolarHBondContact O-N 3.31Å
35	Q	59.6	Low	60	Low	166 Å²	166	90.9 Å²	90.9	78%	0.776	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-86.5	-23.8	176.5	-169.7	170	0.8	0	0	112.8	G33 S38	G33-Q35 PolarHBondContact O-N 3.28Å; G33-Q35 VanDerWaalsContact O-N 3.13Å; Q35-S38 PolarHBondContact O-OG 2.84Å
36	Q	74.2	Confident	62.7	Low	10 Å²	10	86.2 Å²	86.2	5%	0.047	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-50.5	179.1	-177.2	172.1	13.2	0	0	111	G33 S38 H39 E150 P151 Q153 I161	G33-Q36 PolarHBondContact O-N 2.89Å; G33-Q36 VanDerWaalsContact O-N 3.14Å; Q36-S38 VanDerWaalsContact C-N 3.27Å; Q36-S38 PolarHBondContact O-N 2.9Å; Q36-H39 PolarHBondContact O-CE1 2.96Å; Q36-H39 VanDerWaalsContact O-CE1 3.23Å; Q36-H39 PolarHBondContact O-ND1 3.16Å; Q36-E150 WeakPolarHBondContact CG-OE1 3.21Å; Q36-E150 VanDerWaalsContact NE2-CD 3.25Å; Q36-E150 PolarHBondContact NE2-OE1 3.45Å; Q36-P151 PolarHBondContact NE2-O 2.94Å; Q36-Q153 HydrophobicContact CG-CG 4.49Å; Q36-Q153 VanDerWaalsContact OE1-CB 3.29Å; Q36-Q153 VanDerWaalsContact OE1-CG 3.25Å; Q36-I161 VanDerWaalsContact CD-CD1 3.41Å; Q36-I161 HydrophobicContact CG-CD1 3.84Å
37	T	79.9	Confident	65.1	Low	16 Å²	16	83.5 Å²	83.5	10%	0.098	48%	0.482	C	S	.	.	G	3₁₀ helix	trans	-83	3.9	-175.3	52.5	0	0	0	0	114.4	H39 L40 Y43 I161	T37-H39 PolarHBondContact O-N 2.78Å; T37-L40 PolarHBondContact O-N 3.27Å; T37-Y43 HydrophobicContact CG2-CD1 3.95Å; T37-Y43 HydrophobicContact CG2-CD2 4.26Å; T37-Y43 HydrophobicContact CG2-CE1 3.6Å; T37-Y43 HydrophobicContact CG2-CE2 3.92Å; T37-Y43 HydrophobicContact CG2-CG 4.27Å; T37-I161 HydrophobicContact CG2-CD1 3.72Å
38	S	78.6	Confident	67.8	Low	80 Å²	80	76.2 Å²	76.2	56%	0.559	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-64.3	-10.6	-178.5	64.9	0	0	0	0	114.8	Q35 Q36	Q35-S38 PolarHBondContact O-OG 2.84Å; Q36-S38 VanDerWaalsContact C-N 3.27Å; Q36-S38 PolarHBondContact O-N 2.9Å
39	H	76.4	Confident	70.4	Confident	41 Å²	41	79 Å²	79	19%	0.19	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-100.7	5.2	176.8	74	-84.8	0	0	0	113.7	Q36 T37 H169 T337	Q36-H39 PolarHBondContact O-CE1 2.96Å; Q36-H39 VanDerWaalsContact O-CE1 3.23Å; Q36-H39 PolarHBondContact O-ND1 3.16Å; T37-H39 PolarHBondContact O-N 2.78Å; H39-H169 PolarHBondContact O-N 2.68Å; H39-T337 WeakPolarHBondContact NE2-CG2 3.34Å
40	L	83.5	Confident	73.1	Confident	13 Å²	13	77.8 Å²	77.8	7%	0.068	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-122.6	129.2	-174.2	-59.6	176.1	0	0	0	111.4	T37 Y43 I161 Y163 D167 V168	T37-L40 PolarHBondContact O-N 3.27Å; L40-Y43 HydrophobicContact CB-CD1 4.25Å; L40-Y43 HydrophobicContact CD1-CD1 4.38Å; L40-Y43 HydrophobicContact CD1-CG 4.47Å; L40-I161 HydrophobicContact CD1-CG2 4.13Å; L40-Y163 HydrophobicContact CD1-CD1 3.71Å; L40-Y163 HydrophobicContact CD1-CE1 4.24Å; L40-Y163 HydrophobicContact CD1-CG 3.87Å; L40-Y163 HydrophobicContact CD2-CD1 4.17Å; L40-Y163 HydrophobicContact CD2-CD2 3.53Å; L40-Y163 HydrophobicContact CD2-CE1 4.45Å; L40-Y163 HydrophobicContact CD2-CE2 3.88Å; L40-Y163 HydrophobicContact CD2-CG 3.69Å; L40-Y163 HydrophobicContact CG-CG 4.45Å; L40-D167 WeakPolarHBondContact CA-O 3.45Å; L40-V168 HydrophobicContact CD2-CG2 3.83Å
41	S	83.9	Confident	75.5	Confident	79 Å²	79	76.6 Å²	76.6	55%	0.552	39%	0.387	S	S	*	.	S	Bend	trans	-79.4	-21.1	171.3	50.5	0	0	0	0	113.9	D167	S41-D167 PolarHBondContact N-O 2.87Å; S41-D167 WeakPolarHBondContact OG-CA 3.3Å; S41-D167 WeakPolarHBondContact OG-CB 3.43Å; S41-D167 PolarHBondContact OG-O 3.34Å
42	S	86.9	Confident	77	Confident	62 Å²	62	71 Å²	71	43%	0.434	38%	0.376	S	S	.	.			trans	-154.5	146	178.2	-173.1	0	0	0	0	110.3
43	Y	90.7	Very high	77.9	Confident	99 Å²	99	78.3 Å²	78.3	39%	0.388	39%	0.391	S	S	.	.			trans	-163.4	155.3	174.7	62.3	-89.4	0	0	0	111.4	T37 L40 I45 I161 I162	T37-Y43 HydrophobicContact CG2-CD1 3.95Å; T37-Y43 HydrophobicContact CG2-CD2 4.26Å; T37-Y43 HydrophobicContact CG2-CE1 3.6Å; T37-Y43 HydrophobicContact CG2-CE2 3.92Å; T37-Y43 HydrophobicContact CG2-CG 4.27Å; L40-Y43 HydrophobicContact CB-CD1 4.25Å; L40-Y43 HydrophobicContact CD1-CD1 4.38Å; L40-Y43 HydrophobicContact CD1-CG 4.47Å; Y43-I45 HydrophobicContact CD2-CG1 4.15Å; Y43-I45 HydrophobicContact CE2-CD1 4.16Å; Y43-I45 HydrophobicContact CE2-CG1 3.99Å; Y43-I161 HydrophobicContact CD2-CG2 3.87Å; Y43-I161 HydrophobicContact CG-CG2 3.96Å; Y43-I162 WeakPolarHBondContact CA-O 2.96Å
44	E	91.7	Very high	78.4	Confident	68 Å²	68	83.2 Å²	83.2	32%	0.318	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	150.7	166.9	-72	168.8	-112.5	0	0	109.6	I46 E73 I161 I162	E44-I46 HydrophobicContact CB-CG2 4.33Å; E44-E73 WeakPolarHBondContact OE1-CA 3.5Å; E44-E73 PolarHBondContact OE1-N 2.53Å; E44-E73 PolarHBondContact OE2-N 3.31Å; E44-I161 WeakPolarHBondContact O-CA 3.05Å; E44-I162 HydrophobicContact CB-CG2 3.75Å; E44-I162 PolarHBondContact N-O 2.74Å; E44-I162 PolarHBondContact O-N 3.38Å
45	I	90.8	Very high	78	Confident	89 Å²	89	87.7 Å²	87.7	46%	0.456	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.1	168.2	-60.5	176.8	0	0	0	107.5	Y43 L152 E159 H160	Y43-I45 HydrophobicContact CD2-CG1 4.15Å; Y43-I45 HydrophobicContact CE2-CD1 4.16Å; Y43-I45 HydrophobicContact CE2-CG1 3.99Å; I45-L152 HydrophobicContact CD1-CD2 4.3Å; I45-L152 HydrophobicContact CG2-CD2 4.15Å; I45-E159 HydrophobicContact CG2-CB 4.15Å; I45-H160 WeakPolarHBondContact CA-O 3.39Å
46	I	91.9	Very high	77.2	Confident	10 Å²	10	91.5 Å²	91.5	5%	0.051	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	160.7	-173.2	62.5	163.7	0	0	0	111.3	E44 P48 I70 Q71 I149 E159 H160 I162	E44-I46 HydrophobicContact CB-CG2 4.33Å; I46-P48 HydrophobicContact CD1-CG 4.08Å; I46-P48 HydrophobicContact CG1-CG 4.32Å; I46-I70 HydrophobicContact CD1-CB 3.99Å; I46-I70 HydrophobicContact CD1-CG2 4.22Å; I46-Q71 HydrophobicContact CG2-CB 4.07Å; I46-I149 HydrophobicContact CD1-CD1 4.07Å; I46-E159 CarbonylContact O-C 3.55Å; I46-E159 WeakPolarHBondContact O-CA 3.41Å; I46-H160 HydrophobicContact CG1-CB 4.23Å; I46-H160 PolarHBondContact N-O 3.31Å; I46-H160 PolarHBondContact O-N 3.2Å; I46-I162 HydrophobicContact CD1-CB 4.03Å; I46-I162 HydrophobicContact CD1-CD1 4.17Å; I46-I162 HydrophobicContact CD1-CG2 3.91Å; I46-I162 HydrophobicContact CG1-CB 4.37Å; I46-I162 HydrophobicContact CG1-CG2 4.06Å; I46-I162 HydrophobicContact CG2-CG2 3.86Å
47	T	90.9	Very high	75.7	Confident	91 Å²	91	95.6 Å²	95.6	56%	0.558	45%	0.445	S	S	*	.			trans	-120.5	91.8	173.8	-53.5	0	0	0	0	109.6	W49 H157	T47-W49 PolarHBondContact O-N 3.47Å; T47-H157 WeakPolarHBondContact CG2-O 3.3Å
48	P	90.1	Very high	73.9	Confident	6 Å²	6	98.6 Å²	98.6	4%	0.039	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-60.9	119.4	-176.1	-26	36.7	0	0	0	112.7	I46 Y68 V69 I70 L136 I149 F158 H160	I46-P48 HydrophobicContact CD1-CG 4.08Å; I46-P48 HydrophobicContact CG1-CG 4.32Å; P48-Y68 HydrophobicContact CB-CD1 4.23Å; P48-V69 WeakPolarHBondContact CA-O 3.21Å; P48-I70 HydrophobicContact CB-CG2 3.97Å; P48-I70 HydrophobicContact CG-CG2 4.16Å; P48-L136 HydrophobicContact CB-CD1 3.7Å; P48-L136 HydrophobicContact CG-CD1 4.02Å; P48-I149 HydrophobicContact CG-CD1 4.1Å; P48-F158 HydrophobicContact CB-CE1 4.42Å; P48-H160 WeakPolarHBondContact CD-CE1 3.36Å; P48-H160 WeakPolarHBondContact CD-ND1 3.31Å; P48-H160 HydrophobicContact CG-CB 4.1Å
49	W	86.6	Confident	72.5	Confident	132 Å²	132	99.8 Å²	99.8	50%	0.5	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	129.9	178.6	111.4	62.5	0	0	0	110.4	T47 L51 Y68 V69	T47-W49 PolarHBondContact O-N 3.47Å; W49-L51 HydrophobicContact CZ2-CD2 3.97Å; W49-Y68 CarbonylContact O-C 3.49Å; W49-Y68 WeakPolarHBondContact O-CA 3.44Å; W49-V69 HydrophobicContact CD2-CB 3.73Å; W49-V69 HydrophobicContact CD2-CG2 3.79Å; W49-V69 VanDerWaalsContact CE2-CG2 3.5Å; W49-V69 HydrophobicContact CE3-CB 3.56Å; W49-V69 HydrophobicContact CE3-CG1 4.01Å; W49-V69 HydrophobicContact CE3-CG2 3.97Å; W49-V69 HydrophobicContact CG-CB 4.44Å; W49-V69 HydrophobicContact CH2-CB 3.97Å; W49-V69 HydrophobicContact CH2-CG1 4.06Å; W49-V69 HydrophobicContact CH2-CG2 3.63Å; W49-V69 HydrophobicContact CZ2-CB 4.14Å; W49-V69 HydrophobicContact CZ2-CG2 3.43Å; W49-V69 VanDerWaalsContact CZ2-CG2 3.43Å; W49-V69 HydrophobicContact CZ3-CB 3.68Å; W49-V69 HydrophobicContact CZ3-CG1 3.69Å; W49-V69 HydrophobicContact CZ3-CG2 3.89Å; W49-V69 PolarHBondContact N-O 2.81Å; W49-V69 PolarHBondContact O-N 1.95Å
50	R	85.9	Confident	71.5	Confident	76 Å²	76	104.8 Å²	104.8	29%	0.287	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	122.8	177	-174.9	175.9	168.2	178.2	-3.7	110.5	T52 S63 Y68	R50-T52 PolarHBondContact O-N 2.85Å; R50-S63 PolarHBondContact NH2-OG 3.24Å; R50-Y68 HydrophobicContact CB-CD1 3.89Å; R50-Y68 HydrophobicContact CB-CE1 3.65Å; R50-Y68 HydrophobicContact CG-CD1 4.44Å; R50-Y68 HydrophobicContact CG-CE1 4.09Å
51	L	83	Confident	70.1	Confident	65 Å²	65	109.3 Å²	109.3	34%	0.34	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	124.6	171.3	-71.7	163.7	0	0	0	110.1	W49 S67 V69 I78	W49-L51 HydrophobicContact CZ2-CD2 3.97Å; L51-S67 PolarHBondContact N-O 3.04Å; L51-V69 HydrophobicContact CD1-CG2 3.8Å; L51-V69 HydrophobicContact CD2-CG2 4.18Å; L51-V69 HydrophobicContact CG-CG2 3.93Å; L51-I78 HydrophobicContact CD1-CG2 3.68Å
52	T	69.1	Low	68.9	Low	94 Å²	94	112.7 Å²	112.7	58%	0.577	53%	0.526	S	S	*	.			trans	-115.2	119.5	173.4	45.9	0	0	0	0	109.7	R50 E54	R50-T52 PolarHBondContact O-N 2.85Å; T52-E54 VanDerWaalsContact C-N 3.26Å; T52-E54 PolarHBondContact O-N 2.68Å
53	R	55.1	Low	67.9	Low	254 Å²	254	111 Å²	111	96%	0.958	51%	0.514	S	S	*	.	S	Bend	trans	-76.7	-9	-172.3	-138.7	178.4	81.6	166.5	5	114.4
54	E	48.2	Very low	67.2	Low	131 Å²	131	113 Å²	113	61%	0.612	53%	0.525	S	S	*	.	S	Bend	trans	-136.2	129.2	177.7	-66.1	-169.8	154.1	0	0	111.5	T52 R56	T52-E54 VanDerWaalsContact C-N 3.26Å; T52-E54 PolarHBondContact O-N 2.68Å; E54-R56 PolarHBondContact O-N 3Å
55	R	41.4	Very low	66.8	Low	259 Å²	259	116 Å²	116	98%	0.977	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	16.7	-169.2	-151.1	178.6	-171.9	176.3	4.1	114.6
56	R	42.1	Very low	66.7	Low	246 Å²	246	112.1 Å²	112.1	93%	0.928	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146	-5.7	-170.9	-77.4	-168.9	173.7	170.6	-1.6	116.6	E54	E54-R56 PolarHBondContact O-N 3Å
57	E	42.2	Very low	66.7	Low	97 Å²	97	112.9 Å²	112.9	45%	0.453	53%	0.526	S	S	.	.			trans	-86.9	131.8	172.5	-67.8	-134.2	131.4	0	0	111.2	R60	E57-R60 VanDerWaalsContact CD-NH2 3.32Å; E57-R60 IonicContact OE1-CZ 3.78Å; E57-R60 IonicContact OE1-NE 3.44Å; E57-R60 IonicContact OE1-NH2 2.72Å; E57-R60 PolarHBondContact OE1-NH2 3.05Å; E57-R60 IonicContact OE2-CZ 2.73Å; E57-R60 IonicContact OE2-NE 3.51Å; E57-R60 PolarHBondContact OE2-NE 2.85Å; E57-R60 IonicContact OE2-NH2 2.8Å; E57-R60 PolarHBondContact OE2-NH2 3.04Å; E57-R60 VanDerWaalsContact OE2-NH2 3.14Å
58	A	44	Very low	66.7	Low	79 Å²	79	109.2 Å²	109.2	65%	0.653	50%	0.502	S	S	*	.			trans	-63.6	151.3	166.4	0	0	0	0	0	110	R60	A58-R60 PolarHBondContact O-N 2.85Å
59	P	48.9	Very low	66.8	Low	104 Å²	104	109.2 Å²	109.2	68%	0.675	50%	0.501	S	S	*	.			trans	-60	101	-176.6	-23.7	34.4	0	0	0	112	P61	P59-P61 WeakPolarHBondContact O-CD 3.46Å
60	R	55.3	Low	67.1	Low	147 Å²	147	103.3 Å²	103.3	56%	0.555	48%	0.48	S	S	*	.			trans	-61.4	121.2	174.9	-61.5	-170.2	-173.8	-146.1	5.2	108.3	E57 A58 Y62 S63	E57-R60 VanDerWaalsContact CD-NH2 3.32Å; E57-R60 IonicContact OE1-CZ 3.78Å; E57-R60 IonicContact OE1-NE 3.44Å; E57-R60 IonicContact OE1-NH2 2.72Å; E57-R60 PolarHBondContact OE1-NH2 3.05Å; E57-R60 IonicContact OE2-CZ 2.73Å; E57-R60 IonicContact OE2-NE 3.51Å; E57-R60 PolarHBondContact OE2-NE 2.85Å; E57-R60 IonicContact OE2-NH2 2.8Å; E57-R60 PolarHBondContact OE2-NH2 3.04Å; E57-R60 VanDerWaalsContact OE2-NH2 3.14Å; A58-R60 PolarHBondContact O-N 2.85Å; R60-Y62 PolarHBondContact O-N 2.98Å; R60-Y62 VanDerWaalsContact O-N 3.16Å; R60-S63 PolarHBondContact O-N 2.92Å; R60-S63 PolarHBondContact O-OG 2.8Å
61	P	53.6	Low	67.3	Low	108 Å²	108	104.1 Å²	104.1	70%	0.701	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.4	-177.4	24.1	-32.5	0	0	0	113.3	P59	P59-P61 WeakPolarHBondContact O-CD 3.46Å
62	Y	59.4	Low	67.5	Low	149 Å²	149	101.2 Å²	101.2	58%	0.584	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.6	32.9	-176.6	-50.6	-59.8	0	0	0	113.5	R60 K64 N112	R60-Y62 PolarHBondContact O-N 2.98Å; R60-Y62 VanDerWaalsContact O-N 3.16Å; Y62-K64 PolarHBondContact O-N 2.86Å; Y62-N112 HydrophobicContact CD1-CB 3.81Å; Y62-N112 HydrophobicContact CE1-CB 4.05Å
63	S	65.6	Low	68.3	Low	27 Å²	27	101.4 Å²	101.4	19%	0.189	47%	0.467	C	S	.	.			trans	-58.4	116.6	174.1	-64.6	0	0	0	0	111.6	R50 R60 Q65	R50-S63 PolarHBondContact NH2-OG 3.24Å; R60-S63 PolarHBondContact O-N 2.92Å; R60-S63 PolarHBondContact O-OG 2.8Å; S63-Q65 VanDerWaalsContact C-N 3.26Å; S63-Q65 WeakPolarHBondContact CB-O 3.42Å; S63-Q65 PolarHBondContact O-N 2.8Å
64	K	74.7	Confident	69.6	Low	141 Å²	141	91.9 Å²	91.9	61%	0.613	45%	0.447	S	S	*	.	S	Bend	trans	-64.2	-30.6	177.8	-67.2	-175.8	176.2	-176.2	0	113.2	Y62 R83	Y62-K64 PolarHBondContact O-N 2.86Å; K64-R83 PolarHBondContact O-N 2.94Å
65	Q	84.6	Confident	71.4	Confident	131 Å²	131	92 Å²	92	61%	0.612	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	141.1	172.5	-72.3	173.7	-14.7	0	0	109.2	S63 L81 E82	S63-Q65 VanDerWaalsContact C-N 3.26Å; S63-Q65 WeakPolarHBondContact CB-O 3.42Å; S63-Q65 PolarHBondContact O-N 2.8Å; Q65-L81 CarbonylContact C-O 3.57Å; Q65-L81 VanDerWaalsContact CA-O 3.24Å; Q65-L81 WeakPolarHBondContact CA-O 3.37Å; Q65-E82 HydrophobicContact CG-CB 4.06Å; Q65-E82 HydrophobicContact CG-CG 3.89Å
66	V	89.2	Confident	73.8	Confident	8 Å²	8	86 Å²	86	5%	0.048	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	162.9	172.6	-61	0	0	0	0	109	Y68 L81 F116	V66-Y68 HydrophobicContact CB-CE2 4.2Å; V66-Y68 HydrophobicContact CG2-CD2 4.34Å; V66-Y68 HydrophobicContact CG2-CE2 3.74Å; V66-L81 HydrophobicContact CG2-CB 3.77Å; V66-L81 HydrophobicContact CG2-CD1 4.01Å; V66-L81 HydrophobicContact CG2-CG 4.4Å; V66-L81 PolarHBondContact N-O 3.22Å; V66-L81 PolarHBondContact O-N 3.01Å; V66-L81 VanDerWaalsContact O-O 3.11Å; V66-F116 HydrophobicContact CG2-CD1 4.15Å; V66-F116 HydrophobicContact CG2-CE1 3.94Å; V66-F116 HydrophobicContact CG2-CZ 4.44Å
67	S	91.1	Very high	76.1	Confident	25 Å²	25	75.8 Å²	75.8	18%	0.175	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	146.8	171.4	-55.7	0	0	0	0	109.5	L51 I79 H80	L51-S67 PolarHBondContact N-O 3.04Å; S67-I79 WeakPolarHBondContact CA-O 3.49Å; S67-I79 VanDerWaalsContact CB-O 3.29Å; S67-I79 WeakPolarHBondContact CB-O 3.35Å; S67-H80 PolarHBondContact OG-ND1 3.44Å
68	Y	91.2	Very high	78.5	Confident	14 Å²	14	73.9 Å²	73.9	6%	0.055	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	153.8	179.4	-68.8	-99.6	0	0	0	109.2	P48 W49 R50 V66 I79 L81 L136 F158	P48-Y68 HydrophobicContact CB-CD1 4.23Å; W49-Y68 CarbonylContact O-C 3.49Å; W49-Y68 WeakPolarHBondContact O-CA 3.44Å; R50-Y68 HydrophobicContact CB-CD1 3.89Å; R50-Y68 HydrophobicContact CB-CE1 3.65Å; R50-Y68 HydrophobicContact CG-CD1 4.44Å; R50-Y68 HydrophobicContact CG-CE1 4.09Å; V66-Y68 HydrophobicContact CB-CE2 4.2Å; V66-Y68 HydrophobicContact CG2-CD2 4.34Å; V66-Y68 HydrophobicContact CG2-CE2 3.74Å; Y68-I79 PolarHBondContact N-O 2.97Å; Y68-I79 VanDerWaalsContact N-O 3.08Å; Y68-I79 PolarHBondContact O-N 3.41Å; Y68-L81 HydrophobicContact CD2-CD1 3.99Å; Y68-L81 HydrophobicContact CE2-CD1 4.24Å; Y68-L136 HydrophobicContact CD1-CD1 3.9Å; Y68-L136 HydrophobicContact CD2-CD1 4.38Å; Y68-L136 HydrophobicContact CD2-CD2 4.44Å; Y68-L136 HydrophobicContact CE1-CD1 4.07Å; Y68-L136 HydrophobicContact CE1-CD2 4.37Å; Y68-L136 HydrophobicContact CE1-CG 4.47Å; Y68-L136 HydrophobicContact CE2-CD2 3.99Å; Y68-L136 HydrophobicContact CG-CD1 4.06Å; Y68-F158 HydrophobicContact CE1-CE1 4.36Å
69	V	92.5	Very high	80.7	Confident	6 Å²	6	70.1 Å²	70.1	4%	0.036	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.5	159.4	-168.3	0	0	0	0	107.4	P48 W49 L51 E76 H77 I78	P48-V69 WeakPolarHBondContact CA-O 3.21Å; W49-V69 HydrophobicContact CD2-CB 3.73Å; W49-V69 HydrophobicContact CD2-CG2 3.79Å; W49-V69 VanDerWaalsContact CE2-CG2 3.5Å; W49-V69 HydrophobicContact CE3-CB 3.56Å; W49-V69 HydrophobicContact CE3-CG1 4.01Å; W49-V69 HydrophobicContact CE3-CG2 3.97Å; W49-V69 HydrophobicContact CG-CB 4.44Å; W49-V69 HydrophobicContact CH2-CB 3.97Å; W49-V69 HydrophobicContact CH2-CG1 4.06Å; W49-V69 HydrophobicContact CH2-CG2 3.63Å; W49-V69 HydrophobicContact CZ2-CB 4.14Å; W49-V69 HydrophobicContact CZ2-CG2 3.43Å; W49-V69 VanDerWaalsContact CZ2-CG2 3.43Å; W49-V69 HydrophobicContact CZ3-CB 3.68Å; W49-V69 HydrophobicContact CZ3-CG1 3.69Å; W49-V69 HydrophobicContact CZ3-CG2 3.89Å; W49-V69 PolarHBondContact N-O 2.81Å; W49-V69 PolarHBondContact O-N 1.95Å; L51-V69 HydrophobicContact CD1-CG2 3.8Å; L51-V69 HydrophobicContact CD2-CG2 4.18Å; L51-V69 HydrophobicContact CG-CG2 3.93Å; V69-E76 HydrophobicContact CG1-CB 3.97Å; V69-E76 HydrophobicContact CG1-CG 4.35Å; V69-H77 WeakPolarHBondContact CA-O 3.48Å; V69-I78 HydrophobicContact CG2-CG1 4.04Å
70	I	92.4	Very high	82.7	Confident	8 Å²	8	67.4 Å²	67.4	4%	0.041	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	156.8	173.1	57.7	170.8	0	0	0	108.4	I46 P48 E76 H77 I79 L140 I149 I162	I46-I70 HydrophobicContact CD1-CB 3.99Å; I46-I70 HydrophobicContact CD1-CG2 4.22Å; P48-I70 HydrophobicContact CB-CG2 3.97Å; P48-I70 HydrophobicContact CG-CG2 4.16Å; I70-E76 WeakPolarHBondContact O-CA 3.45Å; I70-H77 HydrophobicContact CD1-CB 4.45Å; I70-H77 HydrophobicContact CG1-CB 3.97Å; I70-H77 WeakPolarHBondContact CG1-O 3.42Å; I70-H77 PolarHBondContact N-O 3.4Å; I70-H77 PolarHBondContact O-N 2.98Å; I70-I79 HydrophobicContact CD1-CG2 4.07Å; I70-I79 HydrophobicContact CG1-CG2 4.31Å; I70-I79 HydrophobicContact CG2-CD1 4.31Å; I70-L140 HydrophobicContact CD1-CD2 3.36Å; I70-I149 HydrophobicContact CG2-CD1 4.39Å; I70-I162 HydrophobicContact CD1-CD1 4.16Å
71	Q	89.9	Confident	84.3	Confident	93 Å²	93	60.7 Å²	60.7	44%	0.435	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	141.4	169.5	-159.7	166.5	15.3	0	0	108.9	I46 K75	I46-Q71 HydrophobicContact CG2-CB 4.07Å; Q71-K75 CarbonylContact C-O 3.55Å; Q71-K75 VanDerWaalsContact CA-O 3.3Å; Q71-K75 WeakPolarHBondContact CA-O 3.37Å
72	A	87.3	Confident	86.1	Confident	5 Å²	5	58.4 Å²	58.4	4%	0.041	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	131.4	172.5	0	0	0	0	0	109	G74 K75 I162	A72-G74 PolarHBondContact O-N 3.13Å; A72-G74 VanDerWaalsContact O-N 3.16Å; A72-K75 PolarHBondContact N-O 3.04Å; A72-K75 PolarHBondContact O-N 3.14Å; A72-I162 HydrophobicContact CB-CD1 4.1Å
73	E	85.1	Confident	87.4	Confident	97 Å²	97	52.1 Å²	52.1	45%	0.453	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	36.6	-178.1	-48.1	-161.2	126.6	0	0	112.7	E44 K75 Y147 R164	E44-E73 WeakPolarHBondContact OE1-CA 3.5Å; E44-E73 PolarHBondContact OE1-N 2.53Å; E44-E73 PolarHBondContact OE2-N 3.31Å; E73-K75 PolarHBondContact O-N 3.13Å; E73-Y147 VanDerWaalsContact CD-OH 3.31Å; E73-Y147 HydrophobicContact CG-CE1 4.27Å; E73-Y147 PolarHBondContact OE2-OH 3.02Å; E73-Y147 VanDerWaalsContact OE2-OH 3.12Å; E73-R164 IonicContact OE1-CZ 3.28Å; E73-R164 IonicContact OE1-NE 2.78Å; E73-R164 PolarHBondContact OE1-NE 3.4Å; E73-R164 IonicContact OE1-NH2 2.89Å; E73-R164 PolarHBondContact OE1-NH2 3.15Å; E73-R164 IonicContact OE2-CZ 2.73Å; E73-R164 IonicContact OE2-NH2 3.19Å; E73-R164 PolarHBondContact OE2-NH2 3.32Å
74	G	82.5	Confident	88.4	Confident	54 Å²	54	50.9 Å²	50.9	56%	0.557	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	-1.5	-175.5	0	0	0	0	0	116.1	A72	A72-G74 PolarHBondContact O-N 3.13Å; A72-G74 VanDerWaalsContact O-N 3.16Å
75	K	87.3	Confident	88.8	Confident	134 Å²	134	49 Å²	49	58%	0.583	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	143.6	176.8	-64.7	175	-175.4	167.6	0	111.6	Q71 A72 E73	Q71-K75 CarbonylContact C-O 3.55Å; Q71-K75 VanDerWaalsContact CA-O 3.3Å; Q71-K75 WeakPolarHBondContact CA-O 3.37Å; A72-K75 PolarHBondContact N-O 3.04Å; A72-K75 PolarHBondContact O-N 3.14Å; E73-K75 PolarHBondContact O-N 3.13Å
76	E	90.7	Very high	88.5	Confident	132 Å²	132	45.3 Å²	45.3	62%	0.617	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	133.6	167.9	-66.3	-172	146.5	0	0	110.4	V69 I70	V69-E76 HydrophobicContact CG1-CB 3.97Å; V69-E76 HydrophobicContact CG1-CG 4.35Å; I70-E76 WeakPolarHBondContact O-CA 3.45Å
77	H	90.6	Very high	88.3	Confident	33 Å²	33	45 Å²	45	15%	0.153	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.6	175.2	-71.7	-81.1	0	0	0	109.5	V69 I70 V120	V69-H77 WeakPolarHBondContact CA-O 3.48Å; I70-H77 HydrophobicContact CD1-CB 4.45Å; I70-H77 HydrophobicContact CG1-CB 3.97Å; I70-H77 WeakPolarHBondContact CG1-O 3.42Å; I70-H77 PolarHBondContact N-O 3.4Å; I70-H77 PolarHBondContact O-N 2.98Å; H77-V120 HydrophobicContact CB-CG1 3.96Å
78	I	91.9	Very high	88.1	Confident	56 Å²	56	44.4 Å²	44.4	29%	0.287	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	124.9	173	-56.9	174.3	0	0	0	107.8	L51 V69 V120 E121	L51-I78 HydrophobicContact CD1-CG2 3.68Å; V69-I78 HydrophobicContact CG2-CG1 4.04Å; I78-V120 WeakPolarHBondContact O-CA 3.43Å; I78-E121 HydrophobicContact CB-CB 3.91Å; I78-E121 VanDerWaalsContact CD1-OE2 3.3Å; I78-E121 WeakPolarHBondContact CD1-OE2 3.39Å; I78-E121 HydrophobicContact CG2-CB 4.29Å; I78-E121 WeakPolarHBondContact CG2-OE2 3.44Å; I78-E121 PolarHBondContact O-N 3.34Å
79	I	92	Very high	87.7	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.1	177.7	64.8	175.1	0	0	0	110.5	S67 Y68 I70 L81 V120 V128 L130 L140	S67-I79 WeakPolarHBondContact CA-O 3.49Å; S67-I79 VanDerWaalsContact CB-O 3.29Å; S67-I79 WeakPolarHBondContact CB-O 3.35Å; Y68-I79 PolarHBondContact N-O 2.97Å; Y68-I79 VanDerWaalsContact N-O 3.08Å; Y68-I79 PolarHBondContact O-N 3.41Å; I70-I79 HydrophobicContact CD1-CG2 4.07Å; I70-I79 HydrophobicContact CG1-CG2 4.31Å; I70-I79 HydrophobicContact CG2-CD1 4.31Å; I79-L81 HydrophobicContact CD1-CD1 4.34Å; I79-L81 HydrophobicContact CD1-CD2 4.44Å; I79-V120 HydrophobicContact CG2-CG2 4.13Å; I79-V128 HydrophobicContact CG2-CG2 4.47Å; I79-L130 HydrophobicContact CD1-CD1 3.59Å; I79-L140 HydrophobicContact CD1-CD2 4.34Å; I79-L140 HydrophobicContact CG2-CD2 3.82Å
80	H	89.9	Confident	87	Confident	47 Å²	47	49.8 Å²	49.8	22%	0.218	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.3	177.2	-61.7	-55.9	0	0	0	109.7	S67 G118 Y119 E121	S67-H80 PolarHBondContact OG-ND1 3.44Å; H80-G118 WeakPolarHBondContact O-CA 3.41Å; H80-Y119 HydrophobicContact CB-CD1 4.38Å; H80-Y119 HydrophobicContact CB-CE1 3.91Å; H80-Y119 HydrophobicContact CB-CE2 4.49Å; H80-Y119 AromaticContact CD2-CE2 3.61Å; H80-Y119 AromaticContact CD2-CZ 3.61Å; H80-Y119 PolarHBondContact N-O 3.37Å; H80-Y119 PolarHBondContact O-N 3.24Å; H80-E121 IonicContact CE1-OE2 2.82Å; H80-E121 IonicContact NE2-OE2 2.85Å; H80-E121 PolarHBondContact NE2-OE2 3.07Å
81	L	89.8	Confident	86.1	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.026	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.5	-172.3	-57.2	-179.1	0	0	0	110.5	Q65 V66 Y68 I79 F116 R117 V128 L130	Q65-L81 CarbonylContact C-O 3.57Å; Q65-L81 VanDerWaalsContact CA-O 3.24Å; Q65-L81 WeakPolarHBondContact CA-O 3.37Å; V66-L81 HydrophobicContact CG2-CB 3.77Å; V66-L81 HydrophobicContact CG2-CD1 4.01Å; V66-L81 HydrophobicContact CG2-CG 4.4Å; V66-L81 PolarHBondContact N-O 3.22Å; V66-L81 PolarHBondContact O-N 3.01Å; V66-L81 VanDerWaalsContact O-O 3.11Å; Y68-L81 HydrophobicContact CD2-CD1 3.99Å; Y68-L81 HydrophobicContact CE2-CD1 4.24Å; I79-L81 HydrophobicContact CD1-CD1 4.34Å; I79-L81 HydrophobicContact CD1-CD2 4.44Å; L81-F116 HydrophobicContact CB-CB 3.99Å; L81-F116 HydrophobicContact CB-CD1 3.95Å; L81-F116 HydrophobicContact CB-CG 4.24Å; L81-R117 CarbonylContact C-O 3.56Å; L81-R117 WeakPolarHBondContact CA-O 2.89Å; L81-V128 HydrophobicContact CD2-CB 4.19Å; L81-V128 HydrophobicContact CD2-CG1 3.54Å; L81-L130 HydrophobicContact CD1-CD1 3.98Å; L81-L130 HydrophobicContact CD2-CD1 4.21Å
82	E	90.4	Very high	85.9	Confident	60 Å²	60	45.5 Å²	45.5	28%	0.28	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139.9	166	-171.5	177.3	-170.8	0	0	109.8	Q65 N84 K85 F116 R117	Q65-E82 HydrophobicContact CG-CB 4.06Å; Q65-E82 HydrophobicContact CG-CG 3.89Å; E82-N84 PolarHBondContact O-N 2.84Å; E82-K85 IonicContact OE1-NZ 3.63Å; E82-K85 PolarHBondContact OE1-NZ 2.9Å; E82-F116 VanDerWaalsContact C-CD1 3.43Å; E82-F116 VanDerWaalsContact O-CA 3.3Å; E82-F116 WeakPolarHBondContact O-CA 3.48Å; E82-R117 PolarHBondContact N-O 3Å; E82-R117 PolarHBondContact O-N 3.33Å; E82-R117 VanDerWaalsContact O-O 3.08Å
83	R	87.9	Confident	86	Confident	18 Å²	18	45.2 Å²	45.2	7%	0.068	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	129	174.7	-179.9	-174.6	-71.1	160.5	2.2	109.7	K64 K85 Q111 N112 H113 F116	K64-R83 PolarHBondContact O-N 2.94Å; R83-K85 VanDerWaalsContact C-N 3.27Å; R83-K85 WeakPolarHBondContact O-CG 3.46Å; R83-K85 PolarHBondContact O-N 2.76Å; R83-Q111 PolarHBondContact NH1-O 3.33Å; R83-N112 PolarHBondContact NH1-OD1 3.43Å; R83-N112 PolarHBondContact NH2-OD1 2.88Å; R83-H113 WeakPolarHBondContact CD-NE2 3.35Å; R83-H113 WeakPolarHBondContact CG-NE2 3.18Å; R83-H113 PolarHBondContact NE-O 2.94Å; R83-F116 HydrophobicContact CB-CD1 4.29Å; R83-F116 HydrophobicContact CB-CE1 4.1Å; R83-F116 VanDerWaalsContact N-CD1 3.29Å
84	N	86.3	Confident	86.4	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.206	C	C	.	.			trans	-79	74.4	-175.7	-164.5	7.8	0	0	0	111	E82 D86 L87 H113 H115 R117 N244 D247 R256	E82-N84 PolarHBondContact O-N 2.84Å; N84-D86 PolarHBondContact O-N 2.95Å; N84-L87 HydrophobicContact CB-CB 4.18Å; N84-L87 WeakPolarHBondContact O-CB 3.23Å; N84-L87 PolarHBondContact O-N 3.23Å; N84-H113 PolarHBondContact O-CE1 3.43Å; N84-H113 VanDerWaalsContact O-CE1 3.23Å; N84-H113 PolarHBondContact O-NE2 2.84Å; N84-H115 PolarHBondContact N-O 3.44Å; N84-R117 HydrophobicContact CB-CB 4.34Å; N84-R117 HydrophobicContact CB-CG 4.23Å; N84-R117 PolarHBondContact OD1-NH1 3.15Å; N84-N244 PolarHBondContact ND2-OD1 3.31Å; N84-D247 PolarHBondContact ND2-OD2 2.87Å; N84-R256 PolarHBondContact OD1-NH2 3.37Å
85	K	82.1	Confident	86.9	Confident	102 Å²	102	38.4 Å²	38.4	44%	0.443	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-23.7	-172.9	-48.3	-173.6	-154.6	73.7	0	114.1	E82 R83	E82-K85 IonicContact OE1-NZ 3.63Å; E82-K85 PolarHBondContact OE1-NZ 2.9Å; R83-K85 VanDerWaalsContact C-N 3.27Å; R83-K85 WeakPolarHBondContact O-CG 3.46Å; R83-K85 PolarHBondContact O-N 2.76Å
86	D	79.4	Confident	87.2	Confident	53 Å²	53	32.3 Å²	32.3	28%	0.283	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-2.4	-176.1	-25.2	-39.2	0	0	0	111.8	N84 R117 R256 V258	N84-D86 PolarHBondContact O-N 2.95Å; D86-R117 IonicContact OD2-CZ 2.72Å; D86-R117 IonicContact OD2-NH1 3.57Å; D86-R117 PolarHBondContact OD2-NH1 3.04Å; D86-R117 IonicContact OD2-NH2 2.69Å; D86-R117 PolarHBondContact OD2-NH2 2.04Å; D86-R256 IonicContact OD2-CZ 3.42Å; D86-R256 IonicContact OD2-NH1 3.24Å; D86-R256 PolarHBondContact OD2-NH1 3.23Å; D86-R256 IonicContact OD2-NH2 3.14Å; D86-R256 PolarHBondContact OD2-NH2 2.98Å; D86-V258 WeakPolarHBondContact O-CG1 3.38Å; D86-V258 WeakPolarHBondContact O-CG2 3.44Å
87	L	84.9	Confident	87.3	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-70.4	-35.6	-178.5	179.5	66.7	0	0	0	112.9	N84 H115 I240 A243 N244 L259	N84-L87 HydrophobicContact CB-CB 4.18Å; N84-L87 WeakPolarHBondContact O-CB 3.23Å; N84-L87 PolarHBondContact O-N 3.23Å; L87-H115 HydrophobicContact CD2-CB 3.87Å; L87-I240 HydrophobicContact CD2-CG2 4.02Å; L87-A243 HydrophobicContact CD1-CB 3.95Å; L87-N244 HydrophobicContact CD1-CB 4.17Å; L87-N244 HydrophobicContact CD2-CB 3.77Å; L87-L259 PolarHBondContact O-N 3.08Å
88	L	86.3	Confident	87.1	Confident	14 Å²	14	27.5 Å²	27.5	7%	0.073	13%	0.132	C	C	.	.	S	Bend	trans	-134.5	121.5	-174.9	-59.3	169.1	0	0	0	107.7	F92 I110 H113 I240 L259	L88-F92 HydrophobicContact CD2-CD2 4.1Å; L88-F92 HydrophobicContact CD2-CE2 4.37Å; L88-F92 HydrophobicContact CD2-CG 4.34Å; L88-I110 HydrophobicContact CB-CD1 4.13Å; L88-I110 HydrophobicContact CD1-CB 4.14Å; L88-I110 HydrophobicContact CD1-CD1 3.79Å; L88-I110 HydrophobicContact CD1-CG2 4.11Å; L88-I110 HydrophobicContact CG-CD1 4.36Å; L88-H113 HydrophobicContact CD1-CB 4.32Å; L88-I240 HydrophobicContact CD1-CD1 4.16Å; L88-I240 HydrophobicContact CD1-CG1 4.45Å; L88-I240 HydrophobicContact CD1-CG2 3.87Å; L88-I240 HydrophobicContact CD2-CG1 4.15Å; L88-I240 HydrophobicContact CD2-CG2 4.31Å; L88-I240 HydrophobicContact CG-CG2 4.44Å; L88-L259 HydrophobicContact CD2-CB 4.03Å; L88-L259 HydrophobicContact CD2-CD2 4.09Å; L88-L259 HydrophobicContact CD2-CG 4.38Å
89	P	82.6	Confident	86.7	Confident	10 Å²	10	33.8 Å²	33.8	7%	0.065	16%	0.157	C	C	.	.			trans	-70.9	160.2	169.1	35	-36.5	0	0	0	109.5	D91 F92 L259 V260	P89-D91 WeakPolarHBondContact CB-OD1 3.29Å; P89-D91 WeakPolarHBondContact CG-OD1 3.38Å; P89-D91 PolarHBondContact O-N 2.85Å; P89-D91 VanDerWaalsContact O-N 3.13Å; P89-F92 HydrophobicContact CG-CB 4.36Å; P89-F92 PolarHBondContact O-N 2.8Å; P89-L259 WeakPolarHBondContact CD-O 3.38Å; P89-V260 HydrophobicContact CG-CG1 4.41Å
90	E	78.2	Confident	86.2	Confident	123 Å²	123	40.4 Å²	40.4	58%	0.575	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.8	-175.5	-46.9	-169.7	134.1	0	0	113.3	Q111 P408	E90-Q111 PolarHBondContact OE1-NE2 3.4Å; E90-P408 HydrophobicContact CB-CB 3.96Å; E90-P408 HydrophobicContact CB-CG 4.4Å; E90-P408 HydrophobicContact CG-CB 3.89Å; E90-P408 HydrophobicContact CG-CG 3.81Å
91	D	74.1	Confident	85.5	Confident	9 Å²	9	40.1 Å²	40.1	5%	0.048	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	10.7	-177.6	74.9	-19.2	0	0	0	113.2	P89 V93 R296 P408 A411 Y412	P89-D91 WeakPolarHBondContact CB-OD1 3.29Å; P89-D91 WeakPolarHBondContact CG-OD1 3.38Å; P89-D91 PolarHBondContact O-N 2.85Å; P89-D91 VanDerWaalsContact O-N 3.13Å; D91-V93 PolarHBondContact O-N 2.84Å; D91-R296 VanDerWaalsContact CG-NH1 3.28Å; D91-R296 PolarHBondContact O-NH1 2.85Å; D91-R296 PolarHBondContact O-NH2 2.8Å; D91-R296 IonicContact OD1-CZ 3.76Å; D91-R296 IonicContact OD1-NH1 3.12Å; D91-R296 IonicContact OD1-NH2 3.33Å; D91-R296 PolarHBondContact OD1-NH2 3.08Å; D91-R296 IonicContact OD2-CZ 2.95Å; D91-R296 IonicContact OD2-NH1 2.67Å; D91-R296 PolarHBondContact OD2-NH1 2.88Å; D91-R296 IonicContact OD2-NH2 3.69Å; D91-R296 PolarHBondContact OD2-NH2 2.91Å; D91-P408 WeakPolarHBondContact CB-O 2.97Å; D91-P408 VanDerWaalsContact CG-O 3.26Å; D91-A411 VanDerWaalsContact OD2-C 3.27Å; D91-Y412 PolarHBondContact OD2-N 2.85Å
92	F	85.6	Confident	85	Confident	1 Å²	1	43.7 Å²	43.7	0%	0.004	22%	0.22	C	C	.	.			trans	-51.3	127	179.3	161.3	-89.2	0	0	0	111.4	L88 P89 V94 P108 I110 L259 L262	L88-F92 HydrophobicContact CD2-CD2 4.1Å; L88-F92 HydrophobicContact CD2-CE2 4.37Å; L88-F92 HydrophobicContact CD2-CG 4.34Å; P89-F92 HydrophobicContact CG-CB 4.36Å; P89-F92 PolarHBondContact O-N 2.8Å; F92-V94 HydrophobicContact CD1-CG2 4.21Å; F92-V94 HydrophobicContact CE1-CG2 3.36Å; F92-V94 HydrophobicContact CZ-CG2 3.81Å; F92-P108 HydrophobicContact CD1-CG 3.92Å; F92-P108 HydrophobicContact CE1-CG 4.01Å; F92-I110 HydrophobicContact CB-CD1 3.78Å; F92-I110 HydrophobicContact CD1-CD1 3.33Å; F92-I110 HydrophobicContact CE1-CD1 4.12Å; F92-I110 HydrophobicContact CG-CD1 3.79Å; F92-L259 HydrophobicContact CD2-CG 4.27Å; F92-L259 VanDerWaalsContact CD2-O 3.32Å; F92-L259 WeakPolarHBondContact CD2-O 3.33Å; F92-L259 HydrophobicContact CE2-CD2 3.76Å; F92-L259 HydrophobicContact CE2-CG 3.77Å; F92-L259 HydrophobicContact CZ-CD2 4.33Å; F92-L262 HydrophobicContact CE2-CB 4.04Å; F92-L262 HydrophobicContact CZ-CB 3.77Å
93	V	88.1	Confident	84.9	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	139.5	-172.6	65	0	0	0	0	112	D91 Y95 T105 F217 G261 L262 R296 Y412	D91-V93 PolarHBondContact O-N 2.84Å; V93-Y95 HydrophobicContact CG1-CE2 3.92Å; V93-Y95 HydrophobicContact CG2-CD1 3.98Å; V93-Y95 HydrophobicContact CG2-CE1 3.48Å; V93-Y95 VanDerWaalsContact CG2-CE1 3.48Å; V93-Y95 HydrophobicContact CG2-CE2 4.17Å; V93-T105 HydrophobicContact CG2-CG2 3.49Å; V93-T105 VanDerWaalsContact CG2-CG2 3.49Å; V93-F217 HydrophobicContact CG1-CE2 4.33Å; V93-G261 CarbonylContact O-C 3.57Å; V93-G261 VanDerWaalsContact O-CA 3.28Å; V93-G261 WeakPolarHBondContact O-CA 3.44Å; V93-L262 PolarHBondContact O-N 2.94Å; V93-R296 HydrophobicContact CG1-CB 4.31Å; V93-R296 HydrophobicContact CG1-CG 3.85Å; V93-Y412 HydrophobicContact CB-CD2 4.44Å; V93-Y412 HydrophobicContact CB-CE2 4.38Å; V93-Y412 HydrophobicContact CG2-CE2 4.24Å
94	V	93.2	Very high	85	Confident	5 Å²	5	46.5 Å²	46.5	3%	0.03	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	118	168.8	-170.6	0	0	0	0	109.6	F92 T96 D106 P108 R236 L262 I264	F92-V94 HydrophobicContact CD1-CG2 4.21Å; F92-V94 HydrophobicContact CE1-CG2 3.36Å; F92-V94 HydrophobicContact CZ-CG2 3.81Å; V94-T96 HydrophobicContact CG1-CG2 4.11Å; V94-D106 HydrophobicContact CB-CB 4.35Å; V94-D106 PolarHBondContact N-O 2.96Å; V94-D106 PolarHBondContact O-N 2.81Å; V94-P108 HydrophobicContact CG2-CG 4.18Å; V94-R236 HydrophobicContact CG2-CG 4.4Å; V94-L262 CarbonylContact C-O 3.49Å; V94-L262 VanDerWaalsContact CA-O 3.28Å; V94-L262 WeakPolarHBondContact CA-O 3.27Å; V94-L262 HydrophobicContact CG1-CD2 4.29Å; V94-L262 HydrophobicContact CG1-CG 4.41Å; V94-I264 HydrophobicContact CG1-CD1 4.34Å
95	Y	93.9	Very high	85.1	Confident	3 Å²	3	49.9 Å²	49.9	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	131.7	171.3	-59.6	-56	0	0	0	110.9	V93 V103 I104 T105 F217 L262 E263 I264 R295 R296 Y412	V93-Y95 HydrophobicContact CG1-CE2 3.92Å; V93-Y95 HydrophobicContact CG2-CD1 3.98Å; V93-Y95 HydrophobicContact CG2-CE1 3.48Å; V93-Y95 VanDerWaalsContact CG2-CE1 3.48Å; V93-Y95 HydrophobicContact CG2-CE2 4.17Å; Y95-V103 HydrophobicContact CD1-CG1 3.73Å; Y95-V103 HydrophobicContact CG-CG1 4.18Å; Y95-I104 WeakPolarHBondContact CA-O 3.47Å; Y95-T105 HydrophobicContact CD1-CG2 4.08Å; Y95-T105 HydrophobicContact CE1-CG2 3.72Å; Y95-F217 HydrophobicContact CD2-CE2 4.46Å; Y95-F217 AromaticContact CD2-CZ 3.87Å; Y95-F217 HydrophobicContact CD2-CZ 3.87Å; Y95-F217 HydrophobicContact CE2-CE2 4.18Å; Y95-F217 HydrophobicContact CE2-CZ 4.05Å; Y95-L262 PolarHBondContact N-O 3.22Å; Y95-E263 HydrophobicContact CD2-CB 4.47Å; Y95-E263 WeakPolarHBondContact O-CA 3.37Å; Y95-I264 PolarHBondContact O-N 2.92Å; Y95-R295 HydrophobicContact CE2-CB 3.89Å; Y95-R295 PolarHBondContact OH-O 2.75Å; Y95-R296 HydrophobicContact CE2-CB 4.22Å; Y95-Y412 PolarHBondContact OH-OH 3.31Å
96	T	94.2	Very high	85.3	Confident	5 Å²	5	48.4 Å²	48.4	3%	0.031	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	179.4	173.4	69.3	0	0	0	0	110.4	V94 V103 I104 Q232 I264 T266	V94-T96 HydrophobicContact CG1-CG2 4.11Å; T96-V103 CarbonylContact O-C 3.17Å; T96-V103 WeakPolarHBondContact O-CA 3.49Å; T96-I104 PolarHBondContact N-O 2.96Å; T96-I104 PolarHBondContact O-N 3.49Å; T96-Q232 HydrophobicContact CG2-CG 4.4Å; T96-I264 HydrophobicContact CG2-CB 4.35Å; T96-I264 HydrophobicContact CG2-CD1 4.36Å; T96-T266 HydrophobicContact CG2-CG2 4.33Å
97	Y	91.5	Very high	85.6	Confident	19 Å²	19	50.3 Å²	50.3	8%	0.075	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137.4	-175.6	-64.9	-91.8	0	0	0	112.4	G101 V103 E263 W265 T266 L270 R295	Y97-G101 WeakPolarHBondContact CD1-O 3.31Å; Y97-V103 HydrophobicContact CE1-CB 4.39Å; Y97-V103 HydrophobicContact CE1-CG2 3.62Å; Y97-E263 HydrophobicContact CE2-CG 4.26Å; Y97-E263 PolarHBondContact OH-OE1 3.42Å; Y97-E263 VanDerWaalsContact OH-OE1 3.09Å; Y97-W265 AromaticContact CE2-CD1 3.98Å; Y97-T266 WeakPolarHBondContact CA-OG1 3.5Å; Y97-T266 WeakPolarHBondContact CB-OG1 3.39Å; Y97-T266 PolarHBondContact N-OG1 3.02Å; Y97-T266 PolarHBondContact O-OG1 2.91Å; Y97-L270 HydrophobicContact CE1-CD1 4.34Å; Y97-L270 HydrophobicContact CE2-CD1 4.22Å; Y97-L270 WeakPolarHBondContact OH-CD1 3.36Å; Y97-R295 PolarHBondContact OH-NH1 3.14Å
98	N	86.9	Confident	85.3	Confident	46 Å²	46	51.2 Å²	51.2	25%	0.246	27%	0.27	C	S	.	.			trans	-76.1	-177.4	166	66.1	2.3	0	0	0	111.5	E100 G101 T102 I104 N267	N98-E100 VanDerWaalsContact CB-OE2 3.31Å; N98-E100 WeakPolarHBondContact CB-OE2 3.42Å; N98-E100 PolarHBondContact ND2-OE2 2.93Å; N98-E100 PolarHBondContact O-N 2.98Å; N98-E100 PolarHBondContact OD1-N 3.28Å; N98-G101 PolarHBondContact O-N 2.86Å; N98-G101 PolarHBondContact OD1-N 2.86Å; N98-T102 VanDerWaalsContact CG-OG1 3.28Å; N98-T102 PolarHBondContact N-O 3.04Å; N98-T102 PolarHBondContact ND2-OG1 2.94Å; N98-T102 PolarHBondContact OD1-N 2.85Å; N98-T102 PolarHBondContact OD1-O 3.23Å; N98-T102 PolarHBondContact OD1-OG1 3.14Å; N98-T102 VanDerWaalsContact OD1-OG1 3.14Å; N98-I104 HydrophobicContact CB-CD1 4.11Å; N98-N267 PolarHBondContact O-ND2 3.33Å
99	K	82.9	Confident	84.6	Confident	188 Å²	188	57.2 Å²	57.2	82%	0.817	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-27.5	-178.9	-59.8	175.6	-177.4	174.6	0	111.8	G101 N267	K99-G101 VanDerWaalsContact C-N 3.29Å; K99-N267 VanDerWaalsContact C-ND2 3.32Å; K99-N267 PolarHBondContact O-ND2 3.02Å
100	E	81.4	Confident	84	Confident	140 Å²	140	57.9 Å²	57.9	65%	0.654	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-11.4	-178.3	-58.6	65.4	-146.9	0	0	112.2	N98	N98-E100 VanDerWaalsContact CB-OE2 3.31Å; N98-E100 WeakPolarHBondContact CB-OE2 3.42Å; N98-E100 PolarHBondContact ND2-OE2 2.93Å; N98-E100 PolarHBondContact O-N 2.98Å; N98-E100 PolarHBondContact OD1-N 3.28Å
101	G	76	Confident	83.2	Confident	40 Å²	40	57.4 Å²	57.4	41%	0.412	30%	0.302	S	S	.	.			trans	87.2	9.2	175.8	0	0	0	0	0	115	Y97 N98 K99	Y97-G101 WeakPolarHBondContact CD1-O 3.31Å; N98-G101 PolarHBondContact O-N 2.86Å; N98-G101 PolarHBondContact OD1-N 2.86Å; K99-G101 VanDerWaalsContact C-N 3.29Å
102	T	80.3	Confident	82.9	Confident	80 Å²	80	60.6 Å²	60.6	49%	0.491	32%	0.32	S	S	.	.			trans	-84.3	144.9	174.2	65	0	0	0	0	111.2	N98	N98-T102 VanDerWaalsContact CG-OG1 3.28Å; N98-T102 PolarHBondContact N-O 3.04Å; N98-T102 PolarHBondContact ND2-OG1 2.94Å; N98-T102 PolarHBondContact OD1-N 2.85Å; N98-T102 PolarHBondContact OD1-O 3.23Å; N98-T102 PolarHBondContact OD1-OG1 3.14Å; N98-T102 VanDerWaalsContact OD1-OG1 3.14Å
103	V	87	Confident	82.7	Confident	59 Å²	59	61.4 Å²	61.4	36%	0.358	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	133.2	176.4	-173.4	0	0	0	0	110.5	Y95 T96 Y97	Y95-V103 HydrophobicContact CD1-CG1 3.73Å; Y95-V103 HydrophobicContact CG-CG1 4.18Å; T96-V103 CarbonylContact O-C 3.17Å; T96-V103 WeakPolarHBondContact O-CA 3.49Å; Y97-V103 HydrophobicContact CE1-CB 4.39Å; Y97-V103 HydrophobicContact CE1-CG2 3.62Å
104	I	89.3	Confident	82.6	Confident	78 Å²	78	63 Å²	63	40%	0.4	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	132.8	162.9	-56.1	170.8	0	0	0	107.1	Y95 T96 N98	Y95-I104 WeakPolarHBondContact CA-O 3.47Å; T96-I104 PolarHBondContact N-O 2.96Å; T96-I104 PolarHBondContact O-N 3.49Å; N98-I104 HydrophobicContact CB-CD1 4.11Å
105	T	89.4	Confident	82.4	Confident	72 Å²	72	62.9 Å²	62.9	44%	0.442	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.4	177	-52.9	0	0	0	0	109.6	V93 Y95 H107	V93-T105 HydrophobicContact CG2-CG2 3.49Å; V93-T105 VanDerWaalsContact CG2-CG2 3.49Å; Y95-T105 HydrophobicContact CD1-CG2 4.08Å; Y95-T105 HydrophobicContact CE1-CG2 3.72Å; T105-H107 WeakPolarHBondContact CG2-NE2 3.46Å
106	D	86.3	Confident	82.1	Confident	72 Å²	72	63 Å²	63	39%	0.385	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	134.3	172.9	176.4	41.9	0	0	0	110.2	V94 P108 R236	V94-D106 HydrophobicContact CB-CB 4.35Å; V94-D106 PolarHBondContact N-O 2.96Å; V94-D106 PolarHBondContact O-N 2.81Å; D106-P108 WeakPolarHBondContact O-CD 3.15Å; D106-R236 IonicContact OD2-NH1 2.8Å
107	H	85.3	Confident	81.8	Confident	93 Å²	93	66 Å²	66	43%	0.431	35%	0.345	S	S	.	.			trans	-117.9	82.6	177.2	-74	-150.4	0	0	0	107.4	T105 Y412	T105-H107 WeakPolarHBondContact CG2-NE2 3.46Å; H107-Y412 AromaticContact CE1-CD2 3.44Å; H107-Y412 VanDerWaalsContact CE1-CD2 3.44Å; H107-Y412 WeakPolarHBondContact CE1-CD2 3.05Å; H107-Y412 AromaticContact CE1-CE2 3.98Å; H107-Y412 AromaticContact CE1-CG 3.84Å; H107-Y412 AromaticContact NE2-CD2 3.69Å; H107-Y412 AromaticContact NE2-CE2 3.8Å
108	P	79.1	Confident	81.7	Confident	18 Å²	18	66 Å²	66	12%	0.117	35%	0.351	C	S	.	.			trans	-66.8	145.7	-174.5	26.2	-34.4	0	0	0	111.8	F92 V94 D106 I110	F92-P108 HydrophobicContact CD1-CG 3.92Å; F92-P108 HydrophobicContact CE1-CG 4.01Å; V94-P108 HydrophobicContact CG2-CG 4.18Å; D106-P108 WeakPolarHBondContact O-CD 3.15Å; P108-I110 HydrophobicContact CB-CG1 4.49Å; P108-I110 HydrophobicContact CG-CD1 4.2Å; P108-I110 HydrophobicContact CG-CG1 4.25Å; P108-I110 WeakPolarHBondContact O-CG1 3.29Å; P108-I110 PolarHBondContact O-N 3.33Å
109	N	72.2	Confident	81.7	Confident	140 Å²	140	69.8 Å²	69.8	75%	0.749	36%	0.363	S	S	*	.			trans	-81.7	101.3	174.6	-173.6	-26.3	0	0	0	110.7
110	I	68.4	Low	82	Confident	24 Å²	24	61 Å²	61	12%	0.123	32%	0.324	C	S	.	.			trans	-115.6	8.2	-171.1	12.6	166.5	0	0	0	114.6	L88 F92 P108 N112 H113	L88-I110 HydrophobicContact CB-CD1 4.13Å; L88-I110 HydrophobicContact CD1-CB 4.14Å; L88-I110 HydrophobicContact CD1-CD1 3.79Å; L88-I110 HydrophobicContact CD1-CG2 4.11Å; L88-I110 HydrophobicContact CG-CD1 4.36Å; F92-I110 HydrophobicContact CB-CD1 3.78Å; F92-I110 HydrophobicContact CD1-CD1 3.33Å; F92-I110 HydrophobicContact CE1-CD1 4.12Å; F92-I110 HydrophobicContact CG-CD1 3.79Å; P108-I110 HydrophobicContact CB-CG1 4.49Å; P108-I110 HydrophobicContact CG-CD1 4.2Å; P108-I110 HydrophobicContact CG-CG1 4.25Å; P108-I110 WeakPolarHBondContact O-CG1 3.29Å; P108-I110 PolarHBondContact O-N 3.33Å; I110-N112 PolarHBondContact O-N 2.74Å; I110-H113 HydrophobicContact CB-CB 4.46Å; I110-H113 HydrophobicContact CG2-CB 4.07Å; I110-H113 WeakPolarHBondContact O-CB 3.44Å; I110-H113 PolarHBondContact O-CD2 3.31Å; I110-H113 VanDerWaalsContact O-CD2 3.3Å; I110-H113 PolarHBondContact O-N 3.12Å
111	Q	62.1	Low	82.4	Confident	113 Å²	113	59.1 Å²	59.1	53%	0.528	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-21.6	172.5	-76.4	-175.6	-12.8	0	0	113.2	R83 E90	R83-Q111 PolarHBondContact NH1-O 3.33Å; E90-Q111 PolarHBondContact OE1-NE2 3.4Å
112	N	67.4	Low	82.6	Confident	77 Å²	77	61 Å²	61	41%	0.412	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	25.1	175.6	-76.3	-60.3	0	0	0	115.6	Y62 R83 I110	Y62-N112 HydrophobicContact CD1-CB 3.81Å; Y62-N112 HydrophobicContact CE1-CB 4.05Å; R83-N112 PolarHBondContact NH1-OD1 3.43Å; R83-N112 PolarHBondContact NH2-OD1 2.88Å; I110-N112 PolarHBondContact O-N 2.74Å
113	H	82.4	Confident	82.8	Confident	17 Å²	17	58.9 Å²	58.9	8%	0.079	32%	0.322	C	S	.	.			trans	-53.1	152.9	172.6	76.5	115.5	0	0	0	113.1	R83 N84 L88 I110 H115	R83-H113 WeakPolarHBondContact CD-NE2 3.35Å; R83-H113 WeakPolarHBondContact CG-NE2 3.18Å; R83-H113 PolarHBondContact NE-O 2.94Å; N84-H113 PolarHBondContact O-CE1 3.43Å; N84-H113 VanDerWaalsContact O-CE1 3.23Å; N84-H113 PolarHBondContact O-NE2 2.84Å; L88-H113 HydrophobicContact CD1-CB 4.32Å; I110-H113 HydrophobicContact CB-CB 4.46Å; I110-H113 HydrophobicContact CG2-CB 4.07Å; I110-H113 WeakPolarHBondContact O-CB 3.44Å; I110-H113 PolarHBondContact O-CD2 3.31Å; I110-H113 VanDerWaalsContact O-CD2 3.3Å; I110-H113 PolarHBondContact O-N 3.12Å; H113-H115 PolarHBondContact CE1-O 3.38Å; H113-H115 AromaticContact ND1-CD2 3.96Å
114	C	86	Confident	82.2	Confident	34 Å²	34	65.2 Å²	65.2	23%	0.23	34%	0.34	C	S	.	.			trans	-104.3	28.7	-172.2	30.7	0	0	0	0	113	F116 S131 N132 C133	C114-F116 WeakPolarHBondContact O-CD2 3.4Å; C114-F116 WeakPolarHBondContact O-CE2 3.28Å; C114-S131 CarbonylContact O-C 3.51Å; C114-S131 VanDerWaalsContact O-CA 3.29Å; C114-S131 WeakPolarHBondContact O-CA 3.47Å; C114-N132 WeakPolarHBondContact CB-OD1 3.1Å; C114-N132 PolarHBondContact O-N 3.22Å; C114-N132 PolarHBondContact O-OD1 3.48Å; C114-C133 HydrophobicContact CB-CB 3.97Å; C114-C133 WeakPolarHBondContact CB-SG 3.23Å; C114-C133 WeakPolarHBondContact SG-CA 3.26Å; C114-C133 WeakPolarHBondContact SG-CB 3.47Å; C114-C133 CovalentContact SG-SG 2.02Å; C114-C133 PolarHBondContact SG-SG 3.02Å
115	H	87.6	Confident	81.3	Confident	2 Å²	2	68.9 Å²	68.9	1%	0.009	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	133	177.3	-56.8	-110	0	0	0	110.6	N84 L87 H113 N244	N84-H115 PolarHBondContact N-O 3.44Å; L87-H115 HydrophobicContact CD2-CB 3.87Å; H113-H115 PolarHBondContact CE1-O 3.38Å; H113-H115 AromaticContact ND1-CD2 3.96Å; H115-N244 HydrophobicContact CB-CB 4.39Å
116	F	88.6	Confident	81	Confident	6 Å²	6	66.1 Å²	66.1	3%	0.026	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	150.3	-170.4	-64.3	-104.6	0	0	0	110.5	V66 L81 E82 R83 C114 A129 L130 N132 N244	V66-F116 HydrophobicContact CG2-CD1 4.15Å; V66-F116 HydrophobicContact CG2-CE1 3.94Å; V66-F116 HydrophobicContact CG2-CZ 4.44Å; L81-F116 HydrophobicContact CB-CB 3.99Å; L81-F116 HydrophobicContact CB-CD1 3.95Å; L81-F116 HydrophobicContact CB-CG 4.24Å; E82-F116 VanDerWaalsContact C-CD1 3.43Å; E82-F116 VanDerWaalsContact O-CA 3.3Å; E82-F116 WeakPolarHBondContact O-CA 3.48Å; R83-F116 HydrophobicContact CB-CD1 4.29Å; R83-F116 HydrophobicContact CB-CE1 4.1Å; R83-F116 VanDerWaalsContact N-CD1 3.29Å; C114-F116 WeakPolarHBondContact O-CD2 3.4Å; C114-F116 WeakPolarHBondContact O-CE2 3.28Å; F116-A129 WeakPolarHBondContact O-CA 3.41Å; F116-L130 PolarHBondContact N-O 3.21Å; F116-L130 PolarHBondContact O-N 3.15Å; F116-N132 WeakPolarHBondContact CE2-OD1 3.49Å; F116-N244 PolarHBondContact O-ND2 2.76Å; F116-N244 VanDerWaalsContact O-ND2 3.09Å
117	R	88.4	Confident	80.9	Confident	67 Å²	67	63.8 Å²	63.8	25%	0.253	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	162	163.3	64.6	173.7	-179.9	-140.1	2.6	109.5	L81 E82 N84 D86 V128	L81-R117 CarbonylContact C-O 3.56Å; L81-R117 WeakPolarHBondContact CA-O 2.89Å; E82-R117 PolarHBondContact N-O 3Å; E82-R117 PolarHBondContact O-N 3.33Å; E82-R117 VanDerWaalsContact O-O 3.08Å; N84-R117 HydrophobicContact CB-CB 4.34Å; N84-R117 HydrophobicContact CB-CG 4.23Å; N84-R117 PolarHBondContact OD1-NH1 3.15Å; D86-R117 IonicContact OD2-CZ 2.72Å; D86-R117 IonicContact OD2-NH1 3.57Å; D86-R117 PolarHBondContact OD2-NH1 3.04Å; D86-R117 IonicContact OD2-NH2 2.69Å; D86-R117 PolarHBondContact OD2-NH2 2.04Å; R117-V128 CarbonylContact C-O 3.57Å; R117-V128 VanDerWaalsContact C-O 3.32Å; R117-V128 WeakPolarHBondContact CA-O 2.7Å
118	G	88.6	Confident	81	Confident	20 Å²	20	59.4 Å²	59.4	21%	0.206	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.1	-170	-175.6	0	0	0	0	0	114.9	H80 S127 V128	H80-G118 WeakPolarHBondContact O-CA 3.41Å; G118-S127 CarbonylContact O-C 3.59Å; G118-S127 WeakPolarHBondContact O-CA 2.83Å; G118-V128 PolarHBondContact N-O 2.9Å; G118-V128 PolarHBondContact O-N 3.18Å
119	Y	87.9	Confident	81.3	Confident	126 Å²	126	58.6 Å²	58.6	49%	0.494	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	166.8	176.2	65	-83.6	0	0	0	110.1	H80	H80-Y119 HydrophobicContact CB-CD1 4.38Å; H80-Y119 HydrophobicContact CB-CE1 3.91Å; H80-Y119 HydrophobicContact CB-CE2 4.49Å; H80-Y119 AromaticContact CD2-CE2 3.61Å; H80-Y119 AromaticContact CD2-CZ 3.61Å; H80-Y119 PolarHBondContact N-O 3.37Å; H80-Y119 PolarHBondContact O-N 3.24Å
120	V	88.8	Confident	82.2	Confident	2 Å²	2	52 Å²	52	1%	0.012	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	129.5	176.5	-171.8	0	0	0	0	109.1	H77 I78 I79 G122 V123 S126 V128 L142	H77-V120 HydrophobicContact CB-CG1 3.96Å; I78-V120 WeakPolarHBondContact O-CA 3.43Å; I79-V120 HydrophobicContact CG2-CG2 4.13Å; V120-G122 PolarHBondContact O-N 3.13Å; V120-V123 HydrophobicContact CB-CB 4.12Å; V120-V123 HydrophobicContact CB-CG2 4.07Å; V120-V123 HydrophobicContact CG1-CB 4.43Å; V120-V123 HydrophobicContact CG1-CG2 3.82Å; V120-V123 PolarHBondContact O-N 2.64Å; V120-S126 PolarHBondContact N-OG 2.9Å; V120-S126 PolarHBondContact O-OG 2.77Å; V120-V128 HydrophobicContact CG2-CG2 3.84Å; V120-L142 HydrophobicContact CG2-CD1 4.24Å; V120-L142 HydrophobicContact CG2-CG 4.21Å
121	E	88.8	Confident	83	Confident	102 Å²	102	51.3 Å²	51.3	48%	0.477	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	133.9	179.8	-160.4	179.9	163.2	0	0	110.6	I78 H80 V123	I78-E121 HydrophobicContact CB-CB 3.91Å; I78-E121 VanDerWaalsContact CD1-OE2 3.3Å; I78-E121 WeakPolarHBondContact CD1-OE2 3.39Å; I78-E121 HydrophobicContact CG2-CB 4.29Å; I78-E121 WeakPolarHBondContact CG2-OE2 3.44Å; I78-E121 PolarHBondContact O-N 3.34Å; H80-E121 IonicContact CE1-OE2 2.82Å; H80-E121 IonicContact NE2-OE2 2.85Å; H80-E121 PolarHBondContact NE2-OE2 3.07Å; E121-V123 VanDerWaalsContact C-N 3.25Å; E121-V123 PolarHBondContact O-N 3.16Å
122	G	81.5	Confident	84.2	Confident	78 Å²	78	48.2 Å²	48.2	80%	0.804	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	-4.1	-178.8	0	0	0	0	0	116.4	V120	V120-G122 PolarHBondContact O-N 3.13Å
123	V	82.6	Confident	85	Confident	36 Å²	36	46 Å²	46	22%	0.218	25%	0.248	C	C	.	.			trans	-108.6	107.9	-179.5	-171.8	0	0	0	0	110.7	V120 E121 S126 L142	V120-V123 HydrophobicContact CB-CB 4.12Å; V120-V123 HydrophobicContact CB-CG2 4.07Å; V120-V123 HydrophobicContact CG1-CB 4.43Å; V120-V123 HydrophobicContact CG1-CG2 3.82Å; V120-V123 PolarHBondContact O-N 2.64Å; E121-V123 VanDerWaalsContact C-N 3.25Å; E121-V123 PolarHBondContact O-N 3.16Å; V123-S126 WeakPolarHBondContact O-CB 2.92Å; V123-S126 PolarHBondContact O-N 2.94Å; V123-S126 PolarHBondContact O-OG 2.88Å; V123-L142 HydrophobicContact CG2-CD2 4.35Å
124	Y	74.9	Confident	84.9	Confident	192 Å²	192	53.5 Å²	53.5	75%	0.753	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	145.5	175.2	-74.9	-78.3	0	0	0	111.8	S126	Y124-S126 PolarHBondContact O-N 3.49Å
125	N	71.6	Confident	84.9	Confident	156 Å²	156	52.5 Å²	52.5	83%	0.834	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	15.1	-178.5	-58.8	-16.2	0	0	0	115.7
126	S	81.9	Confident	84.9	Confident	14 Å²	14	52.4 Å²	52.4	10%	0.098	28%	0.276	C	S	.	.			trans	-69.6	144.9	173.4	60.5	0	0	0	0	111.6	V120 V123 Y124 H141	V120-S126 PolarHBondContact N-OG 2.9Å; V120-S126 PolarHBondContact O-OG 2.77Å; V123-S126 WeakPolarHBondContact O-CB 2.92Å; V123-S126 PolarHBondContact O-N 2.94Å; V123-S126 PolarHBondContact O-OG 2.88Å; Y124-S126 PolarHBondContact O-N 3.49Å; S126-H141 VanDerWaalsContact CA-O 3.26Å; S126-H141 WeakPolarHBondContact CA-O 2.89Å; S126-H141 VanDerWaalsContact CB-O 3.31Å; S126-H141 WeakPolarHBondContact CB-O 2.77Å
127	S	83.9	Confident	85	Confident	22 Å²	22	56.2 Å²	56.2	15%	0.154	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	149	172.5	71	0	0	0	0	110.3	G118 H141	G118-S127 CarbonylContact O-C 3.59Å; G118-S127 WeakPolarHBondContact O-CA 2.83Å; S127-H141 PolarHBondContact N-O 3Å; S127-H141 VanDerWaalsContact N-O 3.13Å; S127-H141 PolarHBondContact O-N 2.77Å; S127-H141 WeakPolarHBondContact OG-CB 3.5Å
128	V	87.6	Confident	84.9	Confident	2 Å²	2	53 Å²	53	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	133.9	-178.4	177.8	0	0	0	0	108.5	I79 L81 R117 G118 V120 L130 L139 L140	I79-V128 HydrophobicContact CG2-CG2 4.47Å; L81-V128 HydrophobicContact CD2-CB 4.19Å; L81-V128 HydrophobicContact CD2-CG1 3.54Å; R117-V128 CarbonylContact C-O 3.57Å; R117-V128 VanDerWaalsContact C-O 3.32Å; R117-V128 WeakPolarHBondContact CA-O 2.7Å; G118-V128 PolarHBondContact N-O 2.9Å; G118-V128 PolarHBondContact O-N 3.18Å; V120-V128 HydrophobicContact CG2-CG2 3.84Å; V128-L130 HydrophobicContact CG1-CD1 3.7Å; V128-L130 HydrophobicContact CG1-CG 3.67Å; V128-L139 WeakPolarHBondContact CA-O 2.68Å; V128-L140 HydrophobicContact CG1-CD2 4.23Å; V128-L140 HydrophobicContact CG1-CG 4.09Å; V128-L140 HydrophobicContact CG2-CB 4.45Å; V128-L140 HydrophobicContact CG2-CD2 4.05Å; V128-L140 HydrophobicContact CG2-CG 4.24Å
129	A	87	Confident	84.7	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.008	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	106.7	176	0	0	0	0	0	110.4	F116 G138 L139 S248	F116-A129 WeakPolarHBondContact O-CA 3.41Å; A129-G138 WeakPolarHBondContact O-CA 3.49Å; A129-L139 PolarHBondContact N-O 2.68Å; A129-L139 PolarHBondContact O-N 2.69Å; A129-S248 WeakPolarHBondContact CB-OG 3.45Å
130	L	89.1	Confident	84.7	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.7	-171.5	-63.1	177.3	0	0	0	111.2	I79 L81 F116 V128 R137 L140 I149	I79-L130 HydrophobicContact CD1-CD1 3.59Å; L81-L130 HydrophobicContact CD1-CD1 3.98Å; L81-L130 HydrophobicContact CD2-CD1 4.21Å; F116-L130 PolarHBondContact N-O 3.21Å; F116-L130 PolarHBondContact O-N 3.15Å; V128-L130 HydrophobicContact CG1-CD1 3.7Å; V128-L130 HydrophobicContact CG1-CG 3.67Å; L130-R137 CarbonylContact C-O 3.56Å; L130-R137 WeakPolarHBondContact CA-O 3.39Å; L130-L140 HydrophobicContact CD2-CD1 4.31Å; L130-I149 HydrophobicContact CD2-CG2 3.4Å
131	S	87	Confident	84.3	Confident	10 Å²	10	48.4 Å²	48.4	7%	0.07	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	148.1	154.8	176.4	0	0	0	0	109.8	C114 C133 L136 R137	C114-S131 CarbonylContact O-C 3.51Å; C114-S131 VanDerWaalsContact O-CA 3.29Å; C114-S131 WeakPolarHBondContact O-CA 3.47Å; S131-C133 WeakPolarHBondContact OG-CB 3.12Å; S131-C133 PolarHBondContact OG-N 3.38Å; S131-C133 VanDerWaalsContact OG-N 3.1Å; S131-C133 PolarHBondContact OG-SG 3.35Å; S131-L136 WeakPolarHBondContact O-CA 3.3Å; S131-R137 PolarHBondContact N-O 2.72Å; S131-R137 PolarHBondContact O-N 2.93Å
132	N	87.1	Confident	83.8	Confident	47 Å²	47	44.6 Å²	44.6	25%	0.251	24%	0.239	S	C	.	.			trans	-116.1	11.4	164.3	76.2	-0.8	0	0	0	113.6	C114 F116 F134 G135 L136	C114-N132 WeakPolarHBondContact CB-OD1 3.1Å; C114-N132 PolarHBondContact O-N 3.22Å; C114-N132 PolarHBondContact O-OD1 3.48Å; F116-N132 WeakPolarHBondContact CE2-OD1 3.49Å; N132-F134 VanDerWaalsContact C-N 3.28Å; N132-F134 PolarHBondContact O-N 2.89Å; N132-G135 CarbonylContact C-O 3.5Å; N132-G135 VanDerWaalsContact CA-O 3.28Å; N132-G135 WeakPolarHBondContact CA-O 3.04Å; N132-L136 HydrophobicContact CB-CD2 3.85Å
133	C	82.7	Confident	83.2	Confident	31 Å²	31	47 Å²	47	21%	0.209	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-37.3	-172.8	-59.9	0	0	0	0	113.5	C114 S131	C114-C133 HydrophobicContact CB-CB 3.97Å; C114-C133 WeakPolarHBondContact CB-SG 3.23Å; C114-C133 WeakPolarHBondContact SG-CA 3.26Å; C114-C133 WeakPolarHBondContact SG-CB 3.47Å; C114-C133 CovalentContact SG-SG 2.02Å; C114-C133 PolarHBondContact SG-SG 3.02Å; S131-C133 WeakPolarHBondContact OG-CB 3.12Å; S131-C133 PolarHBondContact OG-N 3.38Å; S131-C133 VanDerWaalsContact OG-N 3.1Å; S131-C133 PolarHBondContact OG-SG 3.35Å
134	F	81.8	Confident	82.7	Confident	174 Å²	174	51.9 Å²	51.9	76%	0.763	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.8	41.7	-176.2	-61.6	-73.1	0	0	0	111.1	N132 P151	N132-F134 VanDerWaalsContact C-N 3.28Å; N132-F134 PolarHBondContact O-N 2.89Å; F134-P151 VanDerWaalsContact O-CG 3.3Å; F134-P151 WeakPolarHBondContact O-CG 3.33Å
135	G	85.3	Confident	82.8	Confident	14 Å²	14	43.4 Å²	43.4	14%	0.144	22%	0.224	C	C	.	.	S	Bend	trans	93.3	172.8	-161.4	0	0	0	0	0	111.3	N132 R137	N132-G135 CarbonylContact C-O 3.5Å; N132-G135 VanDerWaalsContact CA-O 3.28Å; N132-G135 WeakPolarHBondContact CA-O 3.04Å; G135-R137 PolarHBondContact O-N 3.14Å
136	L	88.5	Confident	83.3	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.			trans	-74.8	118.2	179.4	-63.8	-177	0	0	0	110.2	P48 Y68 S131 N132 I149 E150 P151 F158 H160	P48-L136 HydrophobicContact CB-CD1 3.7Å; P48-L136 HydrophobicContact CG-CD1 4.02Å; Y68-L136 HydrophobicContact CD1-CD1 3.9Å; Y68-L136 HydrophobicContact CD2-CD1 4.38Å; Y68-L136 HydrophobicContact CD2-CD2 4.44Å; Y68-L136 HydrophobicContact CE1-CD1 4.07Å; Y68-L136 HydrophobicContact CE1-CD2 4.37Å; Y68-L136 HydrophobicContact CE1-CG 4.47Å; Y68-L136 HydrophobicContact CE2-CD2 3.99Å; Y68-L136 HydrophobicContact CG-CD1 4.06Å; S131-L136 WeakPolarHBondContact O-CA 3.3Å; N132-L136 HydrophobicContact CB-CD2 3.85Å; L136-I149 HydrophobicContact CB-CD1 4.25Å; L136-I149 HydrophobicContact CD1-CD1 4.46Å; L136-E150 WeakPolarHBondContact O-CA 3.45Å; L136-P151 WeakPolarHBondContact O-CD 3.36Å; L136-F158 HydrophobicContact CG-CE1 4.43Å; L136-F158 HydrophobicContact CG-CZ 4.28Å; L136-H160 PolarHBondContact O-CD2 3.27Å
137	R	89.2	Confident	83.5	Confident	86 Å²	86	37.3 Å²	37.3	33%	0.325	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	133.5	168.8	-176.7	178.7	-90.8	159.9	-8.2	111.2	L130 S131 G135 I149 E150 L241 E339	L130-R137 CarbonylContact C-O 3.56Å; L130-R137 WeakPolarHBondContact CA-O 3.39Å; S131-R137 PolarHBondContact N-O 2.72Å; S131-R137 PolarHBondContact O-N 2.93Å; G135-R137 PolarHBondContact O-N 3.14Å; R137-I149 CarbonylContact C-O 3.48Å; R137-I149 VanDerWaalsContact CA-O 3.28Å; R137-I149 WeakPolarHBondContact CA-O 3.48Å; R137-E150 HydrophobicContact CG-CB 4.07Å; R137-E150 IonicContact CZ-OE2 3.45Å; R137-E150 IonicContact NE-OE2 3.33Å; R137-E150 PolarHBondContact NE-OE2 2.87Å; R137-E150 IonicContact NH2-OE2 2.79Å; R137-E150 PolarHBondContact NH2-OE2 3.01Å; R137-L241 HydrophobicContact CG-CD2 4.35Å; R137-E339 WeakPolarHBondContact CD-OE1 3.46Å; R137-E339 WeakPolarHBondContact CG-OE1 3.5Å
138	G	86.6	Confident	83.7	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.8	-146.1	164.7	0	0	0	0	0	115	A129 G148 I149 Y245	A129-G138 WeakPolarHBondContact O-CA 3.49Å; G138-G148 CarbonylContact O-C 3.54Å; G138-G148 WeakPolarHBondContact O-CA 3.5Å; G138-I149 PolarHBondContact N-O 3.39Å; G138-I149 PolarHBondContact O-N 2.69Å; G138-Y245 VanDerWaalsContact CA-CE1 3.47Å; G138-Y245 WeakPolarHBondContact CA-OH 3.46Å
139	L	85.6	Confident	83.8	Confident	10 Å²	10	36.2 Å²	36.2	5%	0.052	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	142.3	-162.9	-67.1	170.9	0	0	0	112.1	V128 A129 Y147 M165 Y245 M249 E339	V128-L139 WeakPolarHBondContact CA-O 2.68Å; A129-L139 PolarHBondContact N-O 2.68Å; A129-L139 PolarHBondContact O-N 2.69Å; L139-Y147 WeakPolarHBondContact CA-O 3.39Å; L139-M165 HydrophobicContact CD2-CE 4.37Å; L139-M165 HydrophobicContact CD2-CG 4.16Å; L139-M165 HydrophobicContact CD2-SD 3.62Å; L139-Y245 HydrophobicContact CD1-CD1 3.96Å; L139-Y245 HydrophobicContact CD1-CD2 4.33Å; L139-Y245 HydrophobicContact CD1-CG 3.86Å; L139-Y245 HydrophobicContact CG-CD1 4.24Å; L139-Y245 HydrophobicContact CG-CE1 4.4Å; L139-M249 HydrophobicContact CD1-CE 4.31Å; L139-E339 HydrophobicContact CD2-CB 4.19Å; L139-E339 HydrophobicContact CD2-CG 4.08Å; L139-E339 HydrophobicContact CG-CG 4.33Å
140	L	86.6	Confident	83.9	Confident	4 Å²	4	36.7 Å²	36.7	2%	0.021	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	122.9	171.3	-59.8	97.9	0	0	0	109.3	I70 I79 V128 L130 L142 S146 Y147 I149	I70-L140 HydrophobicContact CD1-CD2 3.36Å; I79-L140 HydrophobicContact CD1-CD2 4.34Å; I79-L140 HydrophobicContact CG2-CD2 3.82Å; V128-L140 HydrophobicContact CG1-CD2 4.23Å; V128-L140 HydrophobicContact CG1-CG 4.09Å; V128-L140 HydrophobicContact CG2-CB 4.45Å; V128-L140 HydrophobicContact CG2-CD2 4.05Å; V128-L140 HydrophobicContact CG2-CG 4.24Å; L130-L140 HydrophobicContact CD2-CD1 4.31Å; L140-L142 HydrophobicContact CB-CD1 4.1Å; L140-S146 CarbonylContact O-C 3.6Å; L140-S146 WeakPolarHBondContact O-CA 3.47Å; L140-Y147 PolarHBondContact N-O 3.34Å; L140-Y147 PolarHBondContact O-N 2.83Å; L140-I149 HydrophobicContact CD1-CB 4.25Å; L140-I149 HydrophobicContact CD1-CG2 3.8Å
141	H	80.4	Confident	83.9	Confident	37 Å²	37	38.1 Å²	38.1	17%	0.171	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	119.5	174	-165.7	62.3	0	0	0	110.2	S126 S127 S146 N381	S126-H141 VanDerWaalsContact CA-O 3.26Å; S126-H141 WeakPolarHBondContact CA-O 2.89Å; S126-H141 VanDerWaalsContact CB-O 3.31Å; S126-H141 WeakPolarHBondContact CB-O 2.77Å; S127-H141 PolarHBondContact N-O 3Å; S127-H141 VanDerWaalsContact N-O 3.13Å; S127-H141 PolarHBondContact O-N 2.77Å; S127-H141 WeakPolarHBondContact OG-CB 3.5Å; H141-S146 PolarHBondContact ND1-OG 3.42Å; H141-N381 VanDerWaalsContact CE1-CG 3.47Å; H141-N381 PolarHBondContact CE1-ND2 3.31Å; H141-N381 PolarHBondContact CE1-OD1 3.45Å; H141-N381 PolarHBondContact ND1-OD1 2.81Å; H141-N381 PolarHBondContact NE2-ND2 3.12Å
142	L	79.5	Confident	84	Confident	22 Å²	22	39.3 Å²	39.3	12%	0.115	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	157.7	171.7	-69.5	86.7	0	0	0	108.5	V120 V123 L140 N144 A145 Y147	V120-L142 HydrophobicContact CG2-CD1 4.24Å; V120-L142 HydrophobicContact CG2-CG 4.21Å; V123-L142 HydrophobicContact CG2-CD2 4.35Å; L140-L142 HydrophobicContact CB-CD1 4.1Å; L142-N144 PolarHBondContact O-N 2.82Å; L142-A145 PolarHBondContact N-O 2.97Å; L142-A145 PolarHBondContact O-N 2.87Å; L142-Y147 HydrophobicContact CD1-CD2 3.83Å; L142-Y147 HydrophobicContact CD1-CE2 4.02Å
143	E	68.9	Low	83.8	Confident	128 Å²	128	42 Å²	42	60%	0.598	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45	-31.9	-166.7	-167.2	174.2	-131	0	0	116.4
144	N	70.8	Confident	83.6	Confident	138 Å²	138	47.2 Å²	47.2	74%	0.738	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.9	8.5	179.5	-62.3	-71.7	0	0	0	114.2	L142	L142-N144 PolarHBondContact O-N 2.82Å
145	A	77.1	Confident	83.5	Confident	15 Å²	15	40.7 Å²	40.7	12%	0.124	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	140.3	-174.8	0	0	0	0	0	113.3	L142 Y147	L142-A145 PolarHBondContact N-O 2.97Å; L142-A145 PolarHBondContact O-N 2.87Å; A145-Y147 HydrophobicContact CB-CD2 4.39Å; A145-Y147 HydrophobicContact CB-CE2 3.56Å
146	S	82.4	Confident	83	Confident	22 Å²	22	44.9 Å²	44.9	15%	0.154	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.4	168	-58	0	0	0	0	110.4	L140 H141 M165	L140-S146 CarbonylContact O-C 3.6Å; L140-S146 WeakPolarHBondContact O-CA 3.47Å; H141-S146 PolarHBondContact ND1-OG 3.42Å; S146-M165 PolarHBondContact O-N 3.03Å
147	Y	86.4	Confident	82.5	Confident	19 Å²	19	50.9 Å²	50.9	8%	0.075	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	140.7	178.5	-58.9	-96.4	0	0	0	110.9	E73 L139 L140 L142 A145 Y163 R164	E73-Y147 VanDerWaalsContact CD-OH 3.31Å; E73-Y147 HydrophobicContact CG-CE1 4.27Å; E73-Y147 PolarHBondContact OE2-OH 3.02Å; E73-Y147 VanDerWaalsContact OE2-OH 3.12Å; L139-Y147 WeakPolarHBondContact CA-O 3.39Å; L140-Y147 PolarHBondContact N-O 3.34Å; L140-Y147 PolarHBondContact O-N 2.83Å; L142-Y147 HydrophobicContact CD1-CD2 3.83Å; L142-Y147 HydrophobicContact CD1-CE2 4.02Å; A145-Y147 HydrophobicContact CB-CD2 4.39Å; A145-Y147 HydrophobicContact CB-CE2 3.56Å; Y147-Y163 CarbonylContact C-O 3.56Å; Y147-Y163 WeakPolarHBondContact CA-O 2.99Å; Y147-R164 HydrophobicContact CD1-CG 3.93Å; Y147-R164 HydrophobicContact CE1-CG 3.54Å; Y147-R164 PolarHBondContact OH-NH2 3.23Å
148	G	87.5	Confident	82.2	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	142.3	163.3	0	0	0	0	0	110.1	G138 I162 Y163	G138-G148 CarbonylContact O-C 3.54Å; G138-G148 WeakPolarHBondContact O-CA 3.5Å; G148-I162 WeakPolarHBondContact O-CA 3.45Å; G148-I162 WeakPolarHBondContact O-CG1 3.13Å; G148-Y163 PolarHBondContact N-O 2.54Å; G148-Y163 WeakPolarHBondContact O-CD1 3.33Å; G148-Y163 PolarHBondContact O-N 3.22Å
149	I	89.4	Confident	82.4	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138.6	167.4	-171.8	175.3	0	0	0	109.3	I46 P48 I70 L130 L136 R137 G138 L140 H160 I161 I162	I46-I149 HydrophobicContact CD1-CD1 4.07Å; P48-I149 HydrophobicContact CG-CD1 4.1Å; I70-I149 HydrophobicContact CG2-CD1 4.39Å; L130-I149 HydrophobicContact CD2-CG2 3.4Å; L136-I149 HydrophobicContact CB-CD1 4.25Å; L136-I149 HydrophobicContact CD1-CD1 4.46Å; R137-I149 CarbonylContact C-O 3.48Å; R137-I149 VanDerWaalsContact CA-O 3.28Å; R137-I149 WeakPolarHBondContact CA-O 3.48Å; G138-I149 PolarHBondContact N-O 3.39Å; G138-I149 PolarHBondContact O-N 2.69Å; L140-I149 HydrophobicContact CD1-CB 4.25Å; L140-I149 HydrophobicContact CD1-CG2 3.8Å; I149-H160 HydrophobicContact CD1-CB 4.01Å; I149-H160 HydrophobicContact CG1-CB 3.92Å; I149-I161 CarbonylContact C-O 3.54Å; I149-I161 VanDerWaalsContact CA-O 3.28Å; I149-I161 WeakPolarHBondContact CA-O 3.5Å; I149-I162 HydrophobicContact CB-CG1 4.47Å
150	E	89.5	Confident	82.8	Confident	11 Å²	11	53.5 Å²	53.5	5%	0.051	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	161.2	168.5	67.7	161.2	-173.8	0	0	113.5	Q36 L136 R137 H160 I161	Q36-E150 WeakPolarHBondContact CG-OE1 3.21Å; Q36-E150 VanDerWaalsContact NE2-CD 3.25Å; Q36-E150 PolarHBondContact NE2-OE1 3.45Å; L136-E150 WeakPolarHBondContact O-CA 3.45Å; R137-E150 HydrophobicContact CG-CB 4.07Å; R137-E150 IonicContact CZ-OE2 3.45Å; R137-E150 IonicContact NE-OE2 3.33Å; R137-E150 PolarHBondContact NE-OE2 2.87Å; R137-E150 IonicContact NH2-OE2 2.79Å; R137-E150 PolarHBondContact NH2-OE2 3.01Å; E150-H160 CarbonylContact O-C 3.34Å; E150-H160 VanDerWaalsContact O-CA 3.23Å; E150-H160 WeakPolarHBondContact O-CA 3.35Å; E150-H160 WeakPolarHBondContact O-CB 3.28Å; E150-I161 HydrophobicContact CG-CB 4.45Å; E150-I161 PolarHBondContact N-O 3.09Å; E150-I161 PolarHBondContact O-N 3.27Å
151	P	89.4	Confident	83	Confident	31 Å²	31	53.3 Å²	53.3	20%	0.201	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	138.5	179.1	-18.3	32.2	0	0	0	112.3	Q36 F134 L136 Q153	Q36-P151 PolarHBondContact NE2-O 2.94Å; F134-P151 VanDerWaalsContact O-CG 3.3Å; F134-P151 WeakPolarHBondContact O-CG 3.33Å; L136-P151 WeakPolarHBondContact O-CD 3.36Å; P151-Q153 PolarHBondContact O-N 2.9Å
152	L	88.7	Confident	83.5	Confident	36 Å²	36	51.8 Å²	51.8	19%	0.188	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-72.6	120.8	174	179.8	62.4	0	0	0	110.2	I45 N154 S155 E159 I161	I45-L152 HydrophobicContact CD1-CD2 4.3Å; I45-L152 HydrophobicContact CG2-CD2 4.15Å; L152-N154 PolarHBondContact O-N 2.96Å; L152-S155 WeakPolarHBondContact O-CB 3.38Å; L152-S155 PolarHBondContact O-N 3.31Å; L152-S155 VanDerWaalsContact O-N 3.12Å; L152-E159 HydrophobicContact CB-CB 4.11Å; L152-E159 WeakPolarHBondContact CB-O 3.4Å; L152-E159 HydrophobicContact CD2-CB 3.92Å; L152-E159 PolarHBondContact N-O 3.31Å; L152-I161 HydrophobicContact CB-CG1 4.32Å; L152-I161 HydrophobicContact CD1-CD1 3.93Å; L152-I161 HydrophobicContact CD1-CG1 3.96Å
153	Q	83.3	Confident	83.9	Confident	102 Å²	102	50.9 Å²	50.9	48%	0.477	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	127.9	-177.2	-75.5	174.5	32.7	0	0	111.8	Q36 P151 S155	Q36-Q153 HydrophobicContact CG-CG 4.49Å; Q36-Q153 VanDerWaalsContact OE1-CB 3.29Å; Q36-Q153 VanDerWaalsContact OE1-CG 3.25Å; P151-Q153 PolarHBondContact O-N 2.9Å; Q153-S155 VanDerWaalsContact C-N 3.28Å; Q153-S155 PolarHBondContact O-N 3.08Å
154	N	78.9	Confident	84.8	Confident	142 Å²	142	48.4 Å²	48.4	76%	0.759	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	17.5	-178.1	-44.1	-73.3	0	0	0	115.4	L152	L152-N154 PolarHBondContact O-N 2.96Å
155	S	80.1	Confident	85.1	Confident	37 Å²	37	42.2 Å²	42.2	26%	0.259	22%	0.221	S	C	.	.			trans	-67.2	138.3	167.9	175.3	0	0	0	0	112	L152 Q153 H157 E159	L152-S155 WeakPolarHBondContact O-CB 3.38Å; L152-S155 PolarHBondContact O-N 3.31Å; L152-S155 VanDerWaalsContact O-N 3.12Å; Q153-S155 VanDerWaalsContact C-N 3.28Å; Q153-S155 PolarHBondContact O-N 3.08Å; S155-H157 PolarHBondContact OG-N 3.02Å; S155-E159 VanDerWaalsContact CB-OE2 3.29Å; S155-E159 WeakPolarHBondContact CB-OE2 3.3Å; S155-E159 WeakPolarHBondContact OG-CB 3.37Å; S155-E159 PolarHBondContact OG-N 3.07Å; S155-E159 PolarHBondContact OG-OE2 2.98Å
156	S	73.6	Confident	85.1	Confident	102 Å²	102	44.8 Å²	44.8	71%	0.713	23%	0.232	S	C	*	.	S	Bend	trans	-95.9	-1.3	168.8	51.7	0	0	0	0	113.9
157	H	78.3	Confident	85	Confident	126 Å²	126	45.5 Å²	45.5	58%	0.583	23%	0.234	S	C	*	.	S	Bend	trans	-119.7	14.6	-165.9	-69.2	-67.1	0	0	0	114.8	T47 S155 E159	T47-H157 WeakPolarHBondContact CG2-O 3.3Å; S155-H157 PolarHBondContact OG-N 3.02Å; H157-E159 HydrophobicContact CB-CG 3.99Å; H157-E159 PolarHBondContact O-N 2.03Å
158	F	83.9	Confident	84.6	Confident	90 Å²	90	45.2 Å²	45.2	40%	0.395	23%	0.234	S	C	.	.			trans	58.4	35.2	-173.7	-158	-103.4	0	0	0	111.9	P48 Y68 L136 H160	P48-F158 HydrophobicContact CB-CE1 4.42Å; Y68-F158 HydrophobicContact CE1-CE1 4.36Å; L136-F158 HydrophobicContact CG-CE1 4.43Å; L136-F158 HydrophobicContact CG-CZ 4.28Å; F158-H160 AromaticContact CD1-CE1 3.73Å; F158-H160 AromaticContact CD1-ND1 3.94Å; F158-H160 AromaticContact CD1-NE2 2.68Å; F158-H160 WeakPolarHBondContact CD1-NE2 3.26Å; F158-H160 AromaticContact CD2-NE2 2.83Å; F158-H160 WeakPolarHBondContact CD2-NE2 3.43Å; F158-H160 AromaticContact CE1-NE2 2.77Å; F158-H160 WeakPolarHBondContact CE1-NE2 3.44Å; F158-H160 AromaticContact CE2-NE2 2.92Å; F158-H160 WeakPolarHBondContact CE2-NE2 3.39Å; F158-H160 AromaticContact CG-NE2 2.7Å; F158-H160 WeakPolarHBondContact CG-NE2 3.48Å; F158-H160 AromaticContact CZ-NE2 2.89Å; F158-H160 WeakPolarHBondContact CZ-NE2 3.29Å; F158-H160 PolarHBondContact O-CE1 3.15Å; F158-H160 PolarHBondContact O-ND1 3.39Å; F158-H160 PolarHBondContact O-NE2 3.19Å
159	E	91.1	Very high	83.7	Confident	58 Å²	58	50.7 Å²	50.7	27%	0.271	26%	0.26	S	S	.	.			trans	-75.1	142.4	175.2	-62.9	158.7	121.8	0	0	110.2	I45 I46 L152 S155 H157	I45-E159 HydrophobicContact CG2-CB 4.15Å; I46-E159 CarbonylContact O-C 3.55Å; I46-E159 WeakPolarHBondContact O-CA 3.41Å; L152-E159 HydrophobicContact CB-CB 4.11Å; L152-E159 WeakPolarHBondContact CB-O 3.4Å; L152-E159 HydrophobicContact CD2-CB 3.92Å; L152-E159 PolarHBondContact N-O 3.31Å; S155-E159 VanDerWaalsContact CB-OE2 3.29Å; S155-E159 WeakPolarHBondContact CB-OE2 3.3Å; S155-E159 WeakPolarHBondContact OG-CB 3.37Å; S155-E159 PolarHBondContact OG-N 3.07Å; S155-E159 PolarHBondContact OG-OE2 2.98Å; H157-E159 HydrophobicContact CB-CG 3.99Å; H157-E159 PolarHBondContact O-N 2.03Å
160	H	92.3	Very high	82.4	Confident	3 Å²	3	55.1 Å²	55.1	1%	0.014	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	145.6	-178.1	-68.1	72.6	0	0	0	109.5	I45 I46 P48 L136 I149 E150 F158	I45-H160 WeakPolarHBondContact CA-O 3.39Å; I46-H160 HydrophobicContact CG1-CB 4.23Å; I46-H160 PolarHBondContact N-O 3.31Å; I46-H160 PolarHBondContact O-N 3.2Å; P48-H160 WeakPolarHBondContact CD-CE1 3.36Å; P48-H160 WeakPolarHBondContact CD-ND1 3.31Å; P48-H160 HydrophobicContact CG-CB 4.1Å; L136-H160 PolarHBondContact O-CD2 3.27Å; I149-H160 HydrophobicContact CD1-CB 4.01Å; I149-H160 HydrophobicContact CG1-CB 3.92Å; E150-H160 CarbonylContact O-C 3.34Å; E150-H160 VanDerWaalsContact O-CA 3.23Å; E150-H160 WeakPolarHBondContact O-CA 3.35Å; E150-H160 WeakPolarHBondContact O-CB 3.28Å; F158-H160 AromaticContact CD1-CE1 3.73Å; F158-H160 AromaticContact CD1-ND1 3.94Å; F158-H160 AromaticContact CD1-NE2 2.68Å; F158-H160 WeakPolarHBondContact CD1-NE2 3.26Å; F158-H160 AromaticContact CD2-NE2 2.83Å; F158-H160 WeakPolarHBondContact CD2-NE2 3.43Å; F158-H160 AromaticContact CE1-NE2 2.77Å; F158-H160 WeakPolarHBondContact CE1-NE2 3.44Å; F158-H160 AromaticContact CE2-NE2 2.92Å; F158-H160 WeakPolarHBondContact CE2-NE2 3.39Å; F158-H160 AromaticContact CG-NE2 2.7Å; F158-H160 WeakPolarHBondContact CG-NE2 3.48Å; F158-H160 AromaticContact CZ-NE2 2.89Å; F158-H160 WeakPolarHBondContact CZ-NE2 3.29Å; F158-H160 PolarHBondContact O-CE1 3.15Å; F158-H160 PolarHBondContact O-ND1 3.39Å; F158-H160 PolarHBondContact O-NE2 3.19Å
161	I	91.6	Very high	80.8	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	130.3	170.3	-50.5	175.8	0	0	0	106.7	Q36 T37 L40 Y43 E44 I149 E150 L152 Y163	Q36-I161 VanDerWaalsContact CD-CD1 3.41Å; Q36-I161 HydrophobicContact CG-CD1 3.84Å; T37-I161 HydrophobicContact CG2-CD1 3.72Å; L40-I161 HydrophobicContact CD1-CG2 4.13Å; Y43-I161 HydrophobicContact CD2-CG2 3.87Å; Y43-I161 HydrophobicContact CG-CG2 3.96Å; E44-I161 WeakPolarHBondContact O-CA 3.05Å; I149-I161 CarbonylContact C-O 3.54Å; I149-I161 VanDerWaalsContact CA-O 3.28Å; I149-I161 WeakPolarHBondContact CA-O 3.5Å; E150-I161 HydrophobicContact CG-CB 4.45Å; E150-I161 PolarHBondContact N-O 3.09Å; E150-I161 PolarHBondContact O-N 3.27Å; L152-I161 HydrophobicContact CB-CG1 4.32Å; L152-I161 HydrophobicContact CD1-CD1 3.93Å; L152-I161 HydrophobicContact CD1-CG1 3.96Å; I161-Y163 HydrophobicContact CG2-CD1 4.18Å
162	I	91	Very high	79.2	Confident	4 Å²	4	65 Å²	65	2%	0.021	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135.8	169.4	-166.8	168.3	0	0	0	109.5	Y43 E44 I46 I70 A72 G148 I149	Y43-I162 WeakPolarHBondContact CA-O 2.96Å; E44-I162 HydrophobicContact CB-CG2 3.75Å; E44-I162 PolarHBondContact N-O 2.74Å; E44-I162 PolarHBondContact O-N 3.38Å; I46-I162 HydrophobicContact CD1-CB 4.03Å; I46-I162 HydrophobicContact CD1-CD1 4.17Å; I46-I162 HydrophobicContact CD1-CG2 3.91Å; I46-I162 HydrophobicContact CG1-CB 4.37Å; I46-I162 HydrophobicContact CG1-CG2 4.06Å; I46-I162 HydrophobicContact CG2-CG2 3.86Å; I70-I162 HydrophobicContact CD1-CD1 4.16Å; A72-I162 HydrophobicContact CB-CD1 4.1Å; G148-I162 WeakPolarHBondContact O-CA 3.45Å; G148-I162 WeakPolarHBondContact O-CG1 3.13Å; I149-I162 HydrophobicContact CB-CG1 4.47Å
163	Y	88.4	Confident	77.8	Confident	4 Å²	4	65.1 Å²	65.1	2%	0.016	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	152.7	-172.6	56.8	-90.6	0	0	0	110.7	L40 Y147 G148 I161 M165 V168	L40-Y163 HydrophobicContact CD1-CD1 3.71Å; L40-Y163 HydrophobicContact CD1-CE1 4.24Å; L40-Y163 HydrophobicContact CD1-CG 3.87Å; L40-Y163 HydrophobicContact CD2-CD1 4.17Å; L40-Y163 HydrophobicContact CD2-CD2 3.53Å; L40-Y163 HydrophobicContact CD2-CE1 4.45Å; L40-Y163 HydrophobicContact CD2-CE2 3.88Å; L40-Y163 HydrophobicContact CD2-CG 3.69Å; L40-Y163 HydrophobicContact CG-CG 4.45Å; Y147-Y163 CarbonylContact C-O 3.56Å; Y147-Y163 WeakPolarHBondContact CA-O 2.99Å; G148-Y163 PolarHBondContact N-O 2.54Å; G148-Y163 WeakPolarHBondContact O-CD1 3.33Å; G148-Y163 PolarHBondContact O-N 3.22Å; I161-Y163 HydrophobicContact CG2-CD1 4.18Å; Y163-M165 HydrophobicContact CD2-SD 4.46Å; Y163-M165 HydrophobicContact CE2-SD 3.77Å; Y163-V168 HydrophobicContact CD2-CG2 3.83Å; Y163-V168 HydrophobicContact CE2-CG2 3.54Å
164	R	86.2	Confident	76.7	Confident	76 Å²	76	65.6 Å²	65.6	29%	0.287	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	142	169.9	-64	171.4	158.9	-103.3	-3.7	109	E73 Y147 D166 D167	E73-R164 IonicContact OE1-CZ 3.28Å; E73-R164 IonicContact OE1-NE 2.78Å; E73-R164 PolarHBondContact OE1-NE 3.4Å; E73-R164 IonicContact OE1-NH2 2.89Å; E73-R164 PolarHBondContact OE1-NH2 3.15Å; E73-R164 IonicContact OE2-CZ 2.73Å; E73-R164 IonicContact OE2-NH2 3.19Å; E73-R164 PolarHBondContact OE2-NH2 3.32Å; Y147-R164 HydrophobicContact CD1-CG 3.93Å; Y147-R164 HydrophobicContact CE1-CG 3.54Å; Y147-R164 PolarHBondContact OH-NH2 3.23Å; R164-D166 HydrophobicContact CB-CB 4.46Å; R164-D166 PolarHBondContact O-N 3.25Å; R164-D166 VanDerWaalsContact O-N 3.08Å; R164-D167 WeakPolarHBondContact CB-OD2 3.24Å; R164-D167 WeakPolarHBondContact O-CB 3.14Å; R164-D167 PolarHBondContact O-N 3.11Å
165	M	78.4	Confident	75.2	Confident	8 Å²	8	59.5 Å²	59.5	4%	0.039	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-15.4	172.8	-64	-54.3	-53.9	0	0	113.2	L139 S146 Y163 V168 E339	L139-M165 HydrophobicContact CD2-CE 4.37Å; L139-M165 HydrophobicContact CD2-CG 4.16Å; L139-M165 HydrophobicContact CD2-SD 3.62Å; S146-M165 PolarHBondContact O-N 3.03Å; Y163-M165 HydrophobicContact CD2-SD 4.46Å; Y163-M165 HydrophobicContact CE2-SD 3.77Å; M165-V168 HydrophobicContact CE-CG2 4.1Å; M165-E339 HydrophobicContact CE-CB 4.13Å
166	D	77.1	Confident	73.2	Confident	68 Å²	68	58 Å²	58	36%	0.364	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-22.3	171.7	-106.2	2	0	0	0	113.7	R164 K170 K368	R164-D166 HydrophobicContact CB-CB 4.46Å; R164-D166 PolarHBondContact O-N 3.25Å; R164-D166 VanDerWaalsContact O-N 3.08Å; D166-K170 IonicContact OD1-NZ 3.13Å; D166-K368 WeakPolarHBondContact OD2-CD 3.42Å; D166-K368 VanDerWaalsContact OD2-CE 3.31Å; D166-K368 WeakPolarHBondContact OD2-CE 3.41Å; D166-K368 IonicContact OD2-NZ 3.9Å; D166-K368 PolarHBondContact OD2-NZ 3.07Å
167	D	80.8	Confident	71.6	Confident	38 Å²	38	53.5 Å²	53.5	20%	0.203	26%	0.262	C	S	.	.	S	Bend	trans	-88.4	-2.7	179.4	-65.2	-46.9	0	0	0	112.9	L40 S41 R164	L40-D167 WeakPolarHBondContact CA-O 3.45Å; S41-D167 PolarHBondContact N-O 2.87Å; S41-D167 WeakPolarHBondContact OG-CA 3.3Å; S41-D167 WeakPolarHBondContact OG-CB 3.43Å; S41-D167 PolarHBondContact OG-O 3.34Å; R164-D167 WeakPolarHBondContact CB-OD2 3.24Å; R164-D167 WeakPolarHBondContact O-CB 3.14Å; R164-D167 PolarHBondContact O-N 3.11Å
168	V	76.7	Confident	69.7	Low	12 Å²	12	49 Å²	49	7%	0.073	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-72.5	128.3	173.8	177.4	0	0	0	0	109.6	L40 Y163 M165 K170	L40-V168 HydrophobicContact CD2-CG2 3.83Å; Y163-V168 HydrophobicContact CD2-CG2 3.83Å; Y163-V168 HydrophobicContact CE2-CG2 3.54Å; M165-V168 HydrophobicContact CE-CG2 4.1Å; V168-K170 VanDerWaalsContact O-CG 3.23Å; V168-K170 WeakPolarHBondContact O-CG 3.41Å; V168-K170 PolarHBondContact O-N 3.5Å
169	H	68.3	Low	67.4	Low	116 Å²	116	46.7 Å²	46.7	54%	0.537	24%	0.236	S	C	.	.			trans	-62.3	120.5	172.8	-70.9	-13.9	0	0	0	110.9	H39	H39-H169 PolarHBondContact O-N 2.68Å
170	K	62.8	Low	64.5	Low	93 Å²	93	45.2 Å²	45.2	40%	0.404	23%	0.229	S	C	.	.			trans	-102.1	116	-175.2	-47.3	-172	-176.2	-178.8	0	109.5	D166 V168 S377	D166-K170 IonicContact OD1-NZ 3.13Å; V168-K170 VanDerWaalsContact O-CG 3.23Å; V168-K170 WeakPolarHBondContact O-CG 3.41Å; V168-K170 PolarHBondContact O-N 3.5Å; K170-S377 WeakPolarHBondContact CD-O 3.4Å; K170-S377 WeakPolarHBondContact CE-O 3.28Å; K170-S377 PolarHBondContact NZ-O 2.87Å
171	E	56.6	Low	61.4	Low	122 Å²	122	51.3 Å²	51.3	57%	0.57	26%	0.262	S	S	*	.			trans	-66.3	145.8	164.7	-68.9	-166.6	148.7	0	0	109.5	L173	E171-L173 HydrophobicContact CB-CD1 4.44Å; E171-L173 HydrophobicContact CB-CG 4.08Å; E171-L173 PolarHBondContact O-N 3.34Å
172	P	55.2	Low	58.5	Low	128 Å²	128	55.8 Å²	55.8	83%	0.831	29%	0.285	S	S	*	.			trans	-77.1	57.4	-179.4	33.9	-37.1	0	0	0	111.8
173	L	60.6	Low	55.3	Low	38 Å²	38	64.3 Å²	64.3	20%	0.199	32%	0.324	C	S	.	.			trans	-80	149	171.1	-57.6	172.7	0	0	0	109.6	E171 G311 A313 A376	E171-L173 HydrophobicContact CB-CD1 4.44Å; E171-L173 HydrophobicContact CB-CG 4.08Å; E171-L173 PolarHBondContact O-N 3.34Å; L173-G311 CarbonylContact C-O 3.57Å; L173-G311 VanDerWaalsContact CA-O 3.31Å; L173-G311 WeakPolarHBondContact CA-O 3.23Å; L173-A313 HydrophobicContact CB-CB 4.05Å; L173-A376 HydrophobicContact CB-CB 3.76Å; L173-A376 WeakPolarHBondContact O-CB 3.34Å; L173-A376 PolarHBondContact O-N 2.9Å
174	K	59.3	Low	52.4	Low	113 Å²	113	73 Å²	73	49%	0.491	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-122.2	157.9	172.1	-67.5	-166.9	174.2	-163.4	0	110	G311 T312 A313 S374	K174-G311 PolarHBondContact N-O 2.74Å; K174-T312 CarbonylContact O-C 3.48Å; K174-T312 WeakPolarHBondContact O-CA 3.09Å; K174-A313 VanDerWaalsContact O-CB 3.29Å; K174-A313 WeakPolarHBondContact O-CB 3.24Å; K174-A313 PolarHBondContact O-N 3.5Å; K174-S374 CarbonylContact C-O 3.55Å; K174-S374 VanDerWaalsContact CA-O 3.26Å; K174-S374 WeakPolarHBondContact CA-O 3.18Å
175	C	46.3	Very low	49.5	Very low	13 Å²	13	77.9 Å²	77.9	9%	0.088	39%	0.388	C	S	.	.			trans	-56.4	149	159.9	-167.3	0	0	0	0	109.8	V177 H347 E348 S374	C175-V177 VanDerWaalsContact C-N 3.27Å; C175-V177 CarbonylContact C-O 3.4Å; C175-V177 WeakPolarHBondContact SG-CB 3.45Å; C175-V177 PolarHBondContact SG-N 2.88Å; C175-H347 VanDerWaalsContact CB-NE2 3.27Å; C175-H347 WeakPolarHBondContact CB-NE2 3.34Å; C175-H347 PolarHBondContact SG-CD2 3.37Å; C175-H347 PolarHBondContact SG-NE2 3.49Å; C175-E348 PolarHBondContact SG-OE1 3.1Å; C175-S374 PolarHBondContact N-O 3.2Å
176	G	38.4	Very low	47.1	Very low	7 Å²	7	83.9 Å²	83.9	7%	0.072	43%	0.425	C	S	.	.	S	Bend	trans	-83.3	-8.1	165.8	0	0	0	0	0	112.4	T312 G314 M315 D610	G176-T312 VanDerWaalsContact CA-CG2 3.45Å; G176-G314 WeakPolarHBondContact CA-O 3.38Å; G176-G314 PolarHBondContact N-O 3.16Å; G176-M315 WeakPolarHBondContact O-CE 3.3Å; G176-D610 WeakPolarHBondContact O-CB 3.01Å; G176-D610 VanDerWaalsContact O-CG 3.26Å
177	V	40.3	Very low	44.7	Very low	7 Å²	7	86.9 Å²	86.9	4%	0.042	45%	0.446	C	S	.	.	S	Bend	trans	-75.8	146.8	155.3	-168.9	0	0	0	0	108.7	C175 M315 V318 H351 H357 D610	C175-V177 VanDerWaalsContact C-N 3.27Å; C175-V177 CarbonylContact C-O 3.4Å; C175-V177 WeakPolarHBondContact SG-CB 3.45Å; C175-V177 PolarHBondContact SG-N 2.88Å; V177-M315 HydrophobicContact CG2-CG 4.3Å; V177-V318 HydrophobicContact CG1-CG2 4.41Å; V177-H351 WeakPolarHBondContact CB-NE2 3.49Å; V177-H357 PolarHBondContact O-CE1 2.79Å; V177-D610 WeakPolarHBondContact CA-OD2 2.98Å; V177-D610 WeakPolarHBondContact CG1-OD2 3.25Å
178	S	38.9	Very low	42.2	Very low	31 Å²	31	94 Å²	94	22%	0.217	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-103.9	160.2	-166.7	-133.3	0	0	0	0	114.4	H357 S609 D610	S178-H357 PolarHBondContact O-CE1 3.15Å; S178-H357 PolarHBondContact O-ND1 3.42Å; S178-S609 VanDerWaalsContact CB-N 3.33Å; S178-S609 WeakPolarHBondContact CB-OG 3.4Å; S178-S609 PolarHBondContact OG-OG 2.72Å; S178-D610 WeakPolarHBondContact CB-OD1 3.28Å; S178-D610 WeakPolarHBondContact CB-OD2 3.17Å; S178-D610 PolarHBondContact N-OD1 3.02Å; S178-D610 PolarHBondContact N-OD2 3.02Å
179	N	34.6	Very low	40.1	Very low	41 Å²	41	101.1 Å²	101.1	22%	0.219	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-93.6	156.9	160.6	-83	-6.9	0	0	0	111.7	H357 D359 S374	N179-H357 WeakPolarHBondContact OD1-CB 3.27Å; N179-H357 PolarHBondContact OD1-ND1 3.3Å; N179-D359 WeakPolarHBondContact ND2-CB 3.22Å; N179-D359 PolarHBondContact ND2-OD2 2.77Å; N179-D359 PolarHBondContact OD1-OD2 2.92Å; N179-S374 WeakPolarHBondContact ND2-CB 3.45Å; N179-S374 PolarHBondContact ND2-OG 2.79Å; N179-S374 WeakPolarHBondContact OD1-CB 3.33Å
180	K	31.1	Very low	38.2	Very low	27 Å²	27	104.7 Å²	104.7	12%	0.117	53%	0.53	C	S	.	.			trans	-110.9	125.3	143.6	-76.2	135.1	-171.4	-70.9	0	107.2	I182 D604 Q606 G608	K180-I182 PolarHBondContact O-N 2.75Å; K180-D604 IonicContact NZ-OD1 3.96Å; K180-D604 PolarHBondContact NZ-OD1 3.42Å; K180-D604 IonicContact NZ-OD2 3.2Å; K180-D604 PolarHBondContact NZ-OD2 3.48Å; K180-Q606 HydrophobicContact CD-CB 3.99Å; K180-Q606 WeakPolarHBondContact CD-O 3.47Å; K180-G608 WeakPolarHBondContact CE-O 3.48Å
181	D	27.3	Very low	36.7	Very low	132 Å²	132	109.8 Å²	109.8	71%	0.706	56%	0.555	S	S	*	*			trans	-59.1	124.1	168.6	-59.4	-75.4	0	0	0	108.7	E183	D181-E183 PolarHBondContact O-N 3.15Å
182	I	29.5	Very low	35.5	Very low	94 Å²	94	113.3 Å²	113.3	48%	0.482	57%	0.572	S	S	.	*			trans	-83.4	95.8	168.4	-62.8	178.1	0	0	0	106	K180 K184 R361	K180-I182 PolarHBondContact O-N 2.75Å; I182-K184 PolarHBondContact O-N 3.03Å; I182-R361 HydrophobicContact CD1-CG 4.3Å
183	E	25.6	Very low	34.2	Very low	182 Å²	182	115.9 Å²	115.9	85%	0.85	57%	0.573	S	S	*	*			trans	-59.4	118.1	172.2	-67.3	-174.6	126.9	0	0	109.1	D181 E185	D181-E183 PolarHBondContact O-N 3.15Å; E183-E185 PolarHBondContact O-N 3.05Å; E183-E185 VanDerWaalsContact O-N 3.15Å
184	K	27.1	Very low	33	Very low	187 Å²	187	119.6 Å²	119.6	81%	0.813	60%	0.599	S	S	*	*			trans	-75.6	100.6	177.7	-71.9	-171	174.5	-171.2	0	110.1	I182 T186	I182-K184 PolarHBondContact O-N 3.03Å; K184-T186 PolarHBondContact O-N 2.78Å
185	E	25.1	Very low	31.9	Very low	178 Å²	178	118.4 Å²	118.4	83%	0.832	60%	0.603	S	S	*	*			trans	-63.7	122.5	158.1	-74.3	-160.3	130.1	0	0	109.4	E183 T187	E183-E185 PolarHBondContact O-N 3.05Å; E183-E185 VanDerWaalsContact O-N 3.15Å; E185-T187 PolarHBondContact O-N 2.83Å
186	T	27.6	Very low	31.2	Very low	134 Å²	134	121.1 Å²	121.1	82%	0.822	62%	0.622	S	S	*	*			trans	-86.9	80.6	177.2	37.2	0	0	0	0	110.9	K184	K184-T186 PolarHBondContact O-N 2.78Å
187	T	27.1	Very low	30.9	Very low	131 Å²	131	126.5 Å²	126.5	80%	0.804	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-76.8	154.6	160.9	47	0	0	0	0	110.7	E185	E185-T187 PolarHBondContact O-N 2.83Å
188	K	28.1	Very low	30.6	Very low	189 Å²	189	130.8 Å²	130.8	82%	0.822	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-95.9	168.4	-164.7	-68.7	-177.8	178.3	179.3	0	113.4	E190	K188-E190 PolarHBondContact O-N 2.9Å
189	D	33.4	Very low	30.3	Very low	161 Å²	161	134.9 Å²	134.9	86%	0.861	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-49.7	119.5	179.1	-37	-93.9	0	0	0	113.2
190	E	28.1	Very low	30.1	Very low	191 Å²	191	136.8 Å²	136.8	89%	0.893	70%	0.698	S	S	*	*			trans	-133.9	152.1	151.4	-69.8	-166	159.7	0	0	107.7	K188	K188-E190 PolarHBondContact O-N 2.9Å
191	E	30.2	Very low	30	Very low	199 Å²	199	140 Å²	140	93%	0.93	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-77	146.9	-153.2	-61.2	176	119.8	0	0	115.3	E193	E191-E193 PolarHBondContact O-N 2.69Å
192	E	31	Very low	30.4	Very low	197 Å²	197	143 Å²	143	92%	0.921	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-72.6	116.9	-179.2	-62.6	-174.7	142.9	0	0	112.9
193	E	29.1	Very low	30.7	Very low	182 Å²	182	147.5 Å²	147.5	85%	0.85	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-79.9	137.8	154.9	-80.5	-152.5	150.1	0	0	110.7	E191	E191-E193 PolarHBondContact O-N 2.69Å
194	P	35.9	Very low	31	Very low	116 Å²	116	150 Å²	150	75%	0.753	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-69.1	135.3	-177.4	27.5	-34.5	0	0	0	112	S196	P194-S196 PolarHBondContact O-N 3.01Å
195	P	34.8	Very low	31.4	Very low	87 Å²	87	149.9 Å²	149.9	57%	0.565	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-64	130.2	-173.1	24.1	-34.1	0	0	0	112.6	Q199	P195-Q199 VanDerWaalsContact CB-OE1 3.28Å
196	S	32.2	Very low	31.9	Very low	70 Å²	70	143 Å²	143	49%	0.49	70%	0.698	S	S	.	*	P	Polyproline II helix	trans	-59.4	145.4	-176.1	-176.1	0	0	0	0	112.9	P194 T198 Q199	P194-S196 PolarHBondContact O-N 3.01Å; S196-T198 PolarHBondContact O-N 3.35Å; S196-T198 PolarHBondContact OG-OG1 3.09Å; S196-Q199 WeakPolarHBondContact O-CB 3.37Å; S196-Q199 PolarHBondContact O-N 3.38Å
197	M	31.7	Very low	32.9	Very low	121 Å²	121	140.1 Å²	140.1	60%	0.596	68%	0.681	S	S	*	*	H	α-helix	trans	-53.1	-22.8	177.7	-88.8	-62.3	-57.6	0	0	114.2	L200 L201	M197-L200 PolarHBondContact O-N 3.09Å; M197-L200 HydrophobicContact SD-CB 4.39Å; M197-L200 HydrophobicContact SD-CD1 3.8Å; M197-L201 HydrophobicContact CE-CD1 4.4Å; M197-L201 HydrophobicContact CE-CG 4.27Å; M197-L201 WeakPolarHBondContact O-CB 3.24Å; M197-L201 VanDerWaalsContact O-CG 3.26Å; M197-L201 WeakPolarHBondContact O-CG 3.26Å; M197-L201 PolarHBondContact O-N 3.04Å
198	T	34.8	Very low	34.1	Very low	96 Å²	96	134.8 Å²	134.8	59%	0.589	65%	0.647	S	S	*	*	H	α-helix	trans	-70.5	-29.8	174.1	50.3	0	0	0	0	113.7	S196 R202	S196-T198 PolarHBondContact O-N 3.35Å; S196-T198 PolarHBondContact OG-OG1 3.09Å; T198-R202 PolarHBondContact O-N 2.78Å
199	Q	32.2	Very low	35.2	Very low	117 Å²	117	132.2 Å²	132.2	55%	0.547	65%	0.65	S	S	.	*	H	α-helix	trans	-69.7	-44.8	169.6	-80.6	174.6	-40	0	0	110.9	P195 S196 L201 R202 R203	P195-Q199 VanDerWaalsContact CB-OE1 3.28Å; S196-Q199 WeakPolarHBondContact O-CB 3.37Å; S196-Q199 PolarHBondContact O-N 3.38Å; Q199-L201 VanDerWaalsContact C-N 3.25Å; Q199-L201 PolarHBondContact O-N 2.89Å; Q199-R202 WeakPolarHBondContact O-CB 3.22Å; Q199-R202 PolarHBondContact O-N 2.84Å; Q199-R202 VanDerWaalsContact O-N 3.08Å; Q199-R203 PolarHBondContact O-N 3.37Å
200	L	29.8	Very low	36.6	Very low	81 Å²	81	129.5 Å²	129.5	42%	0.424	63%	0.632	S	S	.	*	H	α-helix	trans	-60.3	-34.6	175.2	-72.8	167.4	0	0	0	112.5	M197 R203	M197-L200 PolarHBondContact O-N 3.09Å; M197-L200 HydrophobicContact SD-CB 4.39Å; M197-L200 HydrophobicContact SD-CD1 3.8Å; L200-R203 WeakPolarHBondContact O-CB 2.98Å; L200-R203 PolarHBondContact O-N 2.79Å
201	L	29.9	Very low	38.7	Very low	94 Å²	94	122.5 Å²	122.5	49%	0.492	60%	0.602	S	S	.	*	H	α-helix	trans	-76.5	-27.1	174.1	-70.9	168.3	0	0	0	113.8	M197 Q199	M197-L201 HydrophobicContact CE-CD1 4.4Å; M197-L201 HydrophobicContact CE-CG 4.27Å; M197-L201 WeakPolarHBondContact O-CB 3.24Å; M197-L201 VanDerWaalsContact O-CG 3.26Å; M197-L201 WeakPolarHBondContact O-CG 3.26Å; M197-L201 PolarHBondContact O-N 3.04Å; Q199-L201 VanDerWaalsContact C-N 3.25Å; Q199-L201 PolarHBondContact O-N 2.89Å
202	R	34.9	Very low	41	Very low	196 Å²	196	114.2 Å²	114.2	74%	0.74	56%	0.562	S	S	*	*	H	α-helix	trans	-68	-36.8	165.3	-85	-177.3	169.5	168.1	-3.4	111.8	T198 Q199 R204 R205	T198-R202 PolarHBondContact O-N 2.78Å; Q199-R202 WeakPolarHBondContact O-CB 3.22Å; Q199-R202 PolarHBondContact O-N 2.84Å; Q199-R202 VanDerWaalsContact O-N 3.08Å; R202-R204 PolarHBondContact O-N 2.95Å; R202-R205 PolarHBondContact O-N 3.29Å
203	R	35.3	Very low	43.4	Very low	189 Å²	189	106.4 Å²	106.4	71%	0.713	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-15.7	179.9	-145.5	176.4	-168.2	177.5	4.6	114.3	Q199 L200	Q199-R203 PolarHBondContact O-N 3.37Å; L200-R203 WeakPolarHBondContact O-CB 2.98Å; L200-R203 PolarHBondContact O-N 2.79Å
204	R	32.1	Very low	46.4	Very low	233 Å²	233	97.7 Å²	97.7	88%	0.879	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	8.8	171.5	-74.5	-170.6	173.9	-174.3	-0.6	114.7	R202	R202-R204 PolarHBondContact O-N 2.95Å
205	R	35.7	Very low	49	Very low	185 Å²	185	92.4 Å²	92.4	70%	0.698	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	-5.5	-176.4	-67.9	-175.4	-177.7	-179.3	1.5	115.3	R202 V207	R202-R205 PolarHBondContact O-N 3.29Å; R205-V207 PolarHBondContact O-N 3.38Å
206	A	37.1	Very low	51.9	Low	33 Å²	33	88.3 Å²	88.3	27%	0.273	42%	0.422	S	S	.	.	S	Bend	trans	-66.5	5.3	177.8	0	0	0	0	0	114.9
207	V	47.6	Very low	55	Low	75 Å²	75	85 Å²	85	46%	0.455	40%	0.399	S	S	.	.	S	Bend	trans	-108.8	116.5	168.3	178.5	0	0	0	0	107.1	R205 N254	R205-V207 PolarHBondContact O-N 3.38Å; V207-N254 HydrophobicContact CG1-CB 3.46Å; V207-N254 VanDerWaalsContact CG1-CB 3.46Å
208	L	51.3	Low	58.2	Low	19 Å²	19	79.2 Å²	79.2	10%	0.099	37%	0.371	C	S	.	.			trans	-56.7	133.1	179.4	-72.5	155.5	0	0	0	110.2	Q210 N254 F390 E391 T394	L208-Q210 PolarHBondContact O-N 3.17Å; L208-N254 PolarHBondContact O-ND2 3.15Å; L208-F390 HydrophobicContact CD1-CD1 3.96Å; L208-F390 HydrophobicContact CD1-CE1 3.61Å; L208-F390 HydrophobicContact CD1-CZ 4.34Å; L208-E391 HydrophobicContact CD2-CG 4.24Å; L208-E391 HydrophobicContact CG-CG 4.47Å; L208-T394 HydrophobicContact CD1-CG2 3.78Å; L208-T394 WeakPolarHBondContact CD1-OG1 3.45Å; L208-T394 HydrophobicContact CD2-CG2 3.97Å
209	P	52	Low	61.2	Low	135 Å²	135	74.6 Å²	74.6	88%	0.877	34%	0.343	S	S	*	.	S	Bend	trans	-71.2	-14.5	-171.5	28.3	-36.2	0	0	0	113.9
210	Q	64	Low	64.3	Low	104 Å²	104	69 Å²	69	49%	0.486	32%	0.317	S	S	.	.	S	Bend	trans	-105.6	123.7	172.5	179.1	176.9	2.8	0	0	109.2	L208	L208-Q210 PolarHBondContact O-N 3.17Å
211	T	70.4	Confident	67.5	Low	44 Å²	44	65.2 Å²	65.2	27%	0.27	30%	0.297	S	S	.	.			trans	-56.3	136	173.2	-54.1	0	0	0	0	110.9	Y213 N254 R256	T211-Y213 HydrophobicContact CG2-CD2 4.47Å; T211-Y213 HydrophobicContact CG2-CE2 3.68Å; T211-N254 WeakPolarHBondContact CA-ND2 3.45Å; T211-N254 WeakPolarHBondContact CA-O 3.5Å; T211-N254 WeakPolarHBondContact CA-OD1 3.45Å; T211-N254 WeakPolarHBondContact CB-OD1 3.18Å; T211-N254 WeakPolarHBondContact CG2-OD1 3.48Å; T211-N254 PolarHBondContact N-ND2 3.19Å; T211-N254 PolarHBondContact OG1-ND2 3.06Å; T211-N254 PolarHBondContact OG1-OD1 3.18Å; T211-R256 HydrophobicContact CG2-CG 3.53Å
212	R	80	Confident	70.6	Confident	25 Å²	25	62.4 Å²	62.4	9%	0.094	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	150.6	177.5	-61.1	-60.1	178.1	122.5	-5.6	110.3	N254 I255 R256 F390 G399 L402	R212-N254 PolarHBondContact N-O 3.41Å; R212-I255 HydrophobicContact CB-CG1 4.34Å; R212-I255 CarbonylContact O-C 3.42Å; R212-I255 WeakPolarHBondContact O-CA 3.21Å; R212-R256 PolarHBondContact O-N 3.31Å; R212-F390 HydrophobicContact CB-CZ 4.18Å; R212-F390 HydrophobicContact CG-CE1 4.32Å; R212-F390 HydrophobicContact CG-CZ 3.98Å; R212-G399 PolarHBondContact NH1-O 2.93Å; R212-L402 VanDerWaalsContact CA-O 3.26Å; R212-L402 WeakPolarHBondContact CA-O 3.4Å; R212-L402 HydrophobicContact CB-CB 4.15Å; R212-L402 WeakPolarHBondContact CD-O 3.42Å
213	Y	81.6	Confident	73.5	Confident	32 Å²	32	56.5 Å²	56.5	13%	0.125	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.5	-177.1	-64.9	-99.5	0	0	0	108.1	T211 R256 V258 L402 N404 I405	T211-Y213 HydrophobicContact CG2-CD2 4.47Å; T211-Y213 HydrophobicContact CG2-CE2 3.68Å; Y213-R256 CarbonylContact C-O 3.57Å; Y213-R256 WeakPolarHBondContact CA-O 3.3Å; Y213-R256 HydrophobicContact CD1-CB 3.65Å; Y213-R256 HydrophobicContact CD1-CG 4.19Å; Y213-R256 HydrophobicContact CE1-CB 3.82Å; Y213-R256 HydrophobicContact CE1-CG 3.86Å; Y213-R256 HydrophobicContact CG-CB 4.28Å; Y213-V258 HydrophobicContact CD1-CG2 4.19Å; Y213-L402 PolarHBondContact N-O 3.27Å; Y213-L402 VanDerWaalsContact N-O 3.12Å; Y213-L402 WeakPolarHBondContact O-CA 3.29Å; Y213-L402 VanDerWaalsContact O-CB 3.31Å; Y213-L402 WeakPolarHBondContact O-CB 3.41Å; Y213-L402 WeakPolarHBondContact O-CD2 3.38Å; Y213-N404 WeakPolarHBondContact CB-O 3.35Å; Y213-I405 HydrophobicContact CD1-CB 4.34Å; Y213-I405 HydrophobicContact CD1-CG1 4.3Å; Y213-I405 HydrophobicContact CD1-CG2 3.97Å; Y213-I405 HydrophobicContact CD2-CG1 4.04Å; Y213-I405 HydrophobicContact CE1-CB 4.26Å; Y213-I405 HydrophobicContact CE1-CD1 4.2Å; Y213-I405 HydrophobicContact CE1-CG1 3.9Å; Y213-I405 HydrophobicContact CE1-CG2 3.8Å; Y213-I405 HydrophobicContact CE2-CD1 4.2Å; Y213-I405 HydrophobicContact CE2-CG1 3.65Å; Y213-I405 HydrophobicContact CG-CG1 4.38Å
214	V	91.4	Very high	76.3	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	113.9	173.5	-177.1	0	0	0	0	107.6	L216 I255 R256 I257 V258 D299 L349 L353 L402	V214-L216 VanDerWaalsContact C-N 3.33Å; V214-L216 PolarHBondContact O-N 2.89Å; V214-I255 HydrophobicContact CG2-CG2 3.72Å; V214-R256 PolarHBondContact N-O 3.01Å; V214-I257 HydrophobicContact CB-CD1 3.75Å; V214-I257 HydrophobicContact CG1-CD1 4.45Å; V214-I257 HydrophobicContact CG2-CD1 3.73Å; V214-V258 PolarHBondContact O-N 2.91Å; V214-V258 VanDerWaalsContact O-O 3.14Å; V214-D299 HydrophobicContact CG1-CB 4.41Å; V214-L349 HydrophobicContact CG1-CD1 4.31Å; V214-L349 HydrophobicContact CG1-CD2 4.45Å; V214-L353 HydrophobicContact CG2-CD1 4.45Å; V214-L353 HydrophobicContact CG2-CD2 4.19Å; V214-L402 HydrophobicContact CB-CD2 4.46Å; V214-L402 HydrophobicContact CG2-CD2 4.01Å
215	E	89.9	Confident	79.3	Confident	5 Å²	5	38.4 Å²	38.4	2%	0.023	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	89.7	165	-62	177.7	-175.1	0	0	108.5	V260 R297 H298 D299 S300 N404 P406	E215-V260 HydrophobicContact CB-CG1 3.91Å; E215-V260 HydrophobicContact CB-CG2 4.06Å; E215-V260 HydrophobicContact CG-CG1 4.1Å; E215-R297 IonicContact OE2-NE 3.81Å; E215-H298 HydrophobicContact CB-CB 4.37Å; E215-H298 WeakPolarHBondContact O-CB 3.31Å; E215-H298 WeakPolarHBondContact OE2-CA 3.45Å; E215-D299 HydrophobicContact CB-CB 4.18Å; E215-D299 WeakPolarHBondContact CB-OD2 3.36Å; E215-D299 PolarHBondContact N-OD2 2.79Å; E215-D299 PolarHBondContact O-N 3Å; E215-S300 PolarHBondContact O-N 3.15Å; E215-N404 PolarHBondContact OE1-ND2 3.44Å; E215-P406 HydrophobicContact CG-CB 3.89Å; E215-P406 HydrophobicContact CG-CG 4.05Å
216	L	95.9	Very high	82.1	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	129.9	-179.2	177.2	62.7	0	0	0	110.6	V214 I218 L246 I257 V258 L259 V260 Q302	V214-L216 VanDerWaalsContact C-N 3.33Å; V214-L216 PolarHBondContact O-N 2.89Å; L216-I218 HydrophobicContact CD2-CD1 4.22Å; L216-I218 HydrophobicContact CD2-CG1 4.2Å; L216-I218 HydrophobicContact CG-CG1 4.18Å; L216-L246 HydrophobicContact CD2-CD1 3.71Å; L216-I257 HydrophobicContact CB-CG2 4.01Å; L216-I257 HydrophobicContact CD2-CG2 3.62Å; L216-I257 HydrophobicContact CG-CG2 4.47Å; L216-V258 PolarHBondContact N-O 3.38Å; L216-L259 HydrophobicContact CG-CD1 4.35Å; L216-L259 CarbonylContact O-C 3.46Å; L216-L259 WeakPolarHBondContact O-CA 3.44Å; L216-V260 WeakPolarHBondContact O-CG2 3.5Å; L216-V260 PolarHBondContact O-N 2.92Å; L216-Q302 HydrophobicContact CD1-CB 4.26Å; L216-Q302 HydrophobicContact CD1-CG 3.67Å
217	F	96.8	Very high	84.7	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	133.7	165.8	-158	-70.4	0	0	0	110.4	V93 Y95 V219 E263 L292 R296 H298 S300 A301 Q302	V93-F217 HydrophobicContact CG1-CE2 4.33Å; Y95-F217 HydrophobicContact CD2-CE2 4.46Å; Y95-F217 AromaticContact CD2-CZ 3.87Å; Y95-F217 HydrophobicContact CD2-CZ 3.87Å; Y95-F217 HydrophobicContact CE2-CE2 4.18Å; Y95-F217 HydrophobicContact CE2-CZ 4.05Å; F217-V219 HydrophobicContact CD1-CG2 3.91Å; F217-V219 HydrophobicContact CE1-CG2 4.06Å; F217-E263 HydrophobicContact CE1-CB 3.7Å; F217-E263 HydrophobicContact CZ-CB 4.11Å; F217-L292 HydrophobicContact CB-CD2 4.49Å; F217-L292 HydrophobicContact CD1-CD1 4.2Å; F217-L292 HydrophobicContact CD1-CD2 3.65Å; F217-L292 HydrophobicContact CD1-CG 4.39Å; F217-L292 HydrophobicContact CD2-CD1 4.49Å; F217-L292 HydrophobicContact CE1-CD1 3.78Å; F217-L292 HydrophobicContact CE1-CD2 4.03Å; F217-L292 HydrophobicContact CE1-CG 4.45Å; F217-L292 HydrophobicContact CE2-CD1 4.08Å; F217-L292 HydrophobicContact CG-CD2 3.98Å; F217-L292 HydrophobicContact CZ-CD1 3.73Å; F217-R296 HydrophobicContact CD2-CB 4.31Å; F217-R296 HydrophobicContact CD2-CG 4.07Å; F217-R296 HydrophobicContact CE2-CB 3.93Å; F217-R296 HydrophobicContact CE2-CG 3.89Å; F217-H298 HydrophobicContact CB-CB 3.9Å; F217-S300 PolarHBondContact N-O 3.3Å; F217-A301 HydrophobicContact CB-CB 4.29Å; F217-A301 CarbonylContact O-C 3.5Å; F217-A301 VanDerWaalsContact O-CA 3.26Å; F217-A301 WeakPolarHBondContact O-CA 3.15Å; F217-Q302 PolarHBondContact O-N 3.47Å
218	I	98.5	Very high	86.8	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.7	176.7	-66.6	177.2	0	0	0	110.3	L216 V220 M239 L242 L259 G261 L262 E263 V304	L216-I218 HydrophobicContact CD2-CD1 4.22Å; L216-I218 HydrophobicContact CD2-CG1 4.2Å; L216-I218 HydrophobicContact CG-CG1 4.18Å; I218-V220 HydrophobicContact CG2-CG2 4.14Å; I218-M239 HydrophobicContact CD1-CB 4.36Å; I218-M239 HydrophobicContact CG2-CB 4.36Å; I218-M239 HydrophobicContact CG2-CG 4.06Å; I218-M239 HydrophobicContact CG2-SD 3.77Å; I218-L242 HydrophobicContact CD1-CD2 4.17Å; I218-L259 HydrophobicContact CB-CD1 4.07Å; I218-L259 HydrophobicContact CD1-CD1 3.59Å; I218-L259 HydrophobicContact CG1-CD1 3.59Å; I218-G261 PolarHBondContact N-O 2.86Å; I218-G261 VanDerWaalsContact N-O 3.08Å; I218-L262 HydrophobicContact CB-CD1 4.1Å; I218-L262 HydrophobicContact CG2-CD1 3.88Å; I218-L262 CarbonylContact O-C 3.56Å; I218-L262 VanDerWaalsContact O-CA 3.31Å; I218-L262 WeakPolarHBondContact O-CA 3.4Å; I218-E263 PolarHBondContact O-N 3.17Å; I218-V304 HydrophobicContact CG2-CG2 3.85Å
219	V	98.4	Very high	88.8	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.3	174.9	-174.6	0	0	0	0	109	F217 E263 W265 F284 W287 L292 Q302 L303 V304	F217-V219 HydrophobicContact CD1-CG2 3.91Å; F217-V219 HydrophobicContact CE1-CG2 4.06Å; V219-E263 CarbonylContact C-O 3.55Å; V219-E263 WeakPolarHBondContact CA-O 3.29Å; V219-E263 HydrophobicContact CG1-CB 4.35Å; V219-E263 HydrophobicContact CG2-CB 4.34Å; V219-W265 HydrophobicContact CG1-CD2 4.13Å; V219-W265 HydrophobicContact CG1-CH2 4.21Å; V219-W265 HydrophobicContact CG1-CZ2 3.6Å; V219-F284 HydrophobicContact CB-CE2 4.05Å; V219-F284 HydrophobicContact CB-CZ 4.35Å; V219-F284 HydrophobicContact CG1-CE2 4.42Å; V219-F284 HydrophobicContact CG2-CE2 3.95Å; V219-F284 HydrophobicContact CG2-CZ 4.1Å; V219-W287 HydrophobicContact CG1-CH2 4.43Å; V219-W287 HydrophobicContact CG2-CH2 4.32Å; V219-W287 HydrophobicContact CG2-CZ3 4.12Å; V219-L292 HydrophobicContact CG2-CD2 3.92Å; V219-Q302 PolarHBondContact N-O 3.04Å; V219-L303 HydrophobicContact CB-CD1 3.93Å; V219-L303 HydrophobicContact CG1-CD1 3.79Å; V219-L303 CarbonylContact O-C 3.53Å; V219-L303 WeakPolarHBondContact O-CA 3.34Å; V219-V304 PolarHBondContact O-N 2.98Å
220	V	98.3	Very high	90.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.9	-174.7	-176.8	0	0	0	0	110.7	I218 R224 V235 M239 L262 E263 W265 V304	I218-V220 HydrophobicContact CG2-CG2 4.14Å; V220-R224 HydrophobicContact CG1-CB 3.84Å; V220-R224 HydrophobicContact CG1-CG 3.76Å; V220-V235 HydrophobicContact CB-CG1 4.17Å; V220-V235 HydrophobicContact CG1-CG1 4.01Å; V220-V235 HydrophobicContact CG2-CG1 3.82Å; V220-M239 HydrophobicContact CG2-CG 3.87Å; V220-M239 HydrophobicContact CG2-SD 3.88Å; V220-L262 HydrophobicContact CG2-CD1 3.91Å; V220-E263 PolarHBondContact N-O 2.73Å; V220-W265 PolarHBondContact O-N 3.37Å; V220-V304 WeakPolarHBondContact CA-O 3.3Å; V220-V304 HydrophobicContact CG2-CB 4.3Å
221	D	96.6	Very high	92.3	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	18%	0.176	C	C	.	.			trans	-67.8	159.5	-178.9	86.3	-12.7	0	0	0	113.7	E223 R224 Y225 V304 L305 K306	D221-E223 VanDerWaalsContact C-N 3.26Å; D221-E223 PolarHBondContact O-N 3.04Å; D221-R224 PolarHBondContact O-N 3.19Å; D221-R224 WeakPolarHBondContact OD1-CA 3.39Å; D221-R224 WeakPolarHBondContact OD1-CB 3.41Å; D221-R224 PolarHBondContact OD1-N 3.39Å; D221-Y225 PolarHBondContact O-N 3.44Å; D221-Y225 VanDerWaalsContact O-N 3.08Å; D221-V304 PolarHBondContact N-O 2.93Å; D221-L305 HydrophobicContact CB-CB 4.05Å; D221-L305 VanDerWaalsContact CG-CA 3.44Å; D221-L305 VanDerWaalsContact OD2-CA 3.27Å; D221-L305 WeakPolarHBondContact OD2-CA 3.42Å; D221-L305 VanDerWaalsContact OD2-CB 3.23Å; D221-L305 WeakPolarHBondContact OD2-CB 3.17Å; D221-K306 PolarHBondContact OD1-N 2.97Å; D221-K306 PolarHBondContact OD2-N 3.24Å
222	K	95.9	Very high	93.3	Very high	34 Å²	34	36.2 Å²	36.2	15%	0.148	18%	0.181	C	C	.	.	H	α-helix	trans	-59	-40.2	-178.3	172.3	57.5	-178	163.8	0	111.5	Y225 D226 W265 T266 N267 N269	K222-Y225 PolarHBondContact O-N 2.91Å; K222-D226 WeakPolarHBondContact CE-OD1 3.42Å; K222-D226 WeakPolarHBondContact CE-OD2 3.03Å; K222-D226 IonicContact NZ-OD1 3.85Å; K222-D226 PolarHBondContact NZ-OD1 3.1Å; K222-D226 IonicContact NZ-OD2 3.7Å; K222-D226 PolarHBondContact NZ-OD2 2.02Å; K222-D226 WeakPolarHBondContact O-CB 3.42Å; K222-D226 PolarHBondContact O-N 3.16Å; K222-W265 WeakPolarHBondContact CA-O 3.44Å; K222-W265 WeakPolarHBondContact CB-O 3.29Å; K222-W265 VanDerWaalsContact CD-O 3.29Å; K222-W265 WeakPolarHBondContact CD-O 3.19Å; K222-T266 PolarHBondContact NZ-O 3.38Å; K222-N267 WeakPolarHBondContact CD-O 3.28Å; K222-N267 WeakPolarHBondContact CE-O 3.48Å; K222-N269 WeakPolarHBondContact CB-OD1 3.36Å; K222-N269 PolarHBondContact N-OD1 3.21Å
223	E	94.9	Very high	93.8	Very high	72 Å²	72	38.5 Å²	38.5	34%	0.336	20%	0.198	S	C	.	.	H	α-helix	trans	-68.6	-37.2	-178.6	-73.4	86.2	160.5	0	0	112.9	D221 M227 N269 K306	D221-E223 VanDerWaalsContact C-N 3.26Å; D221-E223 PolarHBondContact O-N 3.04Å; E223-M227 WeakPolarHBondContact O-CB 3.45Å; E223-M227 PolarHBondContact O-N 2.83Å; E223-N269 PolarHBondContact OE2-ND2 2.87Å; E223-K306 HydrophobicContact CB-CB 3.58Å; E223-K306 HydrophobicContact CB-CD 4Å; E223-K306 HydrophobicContact CB-CG 3.98Å
224	R	94.1	Very high	94.2	Very high	20 Å²	20	38.8 Å²	38.8	8%	0.075	21%	0.207	C	C	.	.	H	α-helix	trans	-69.2	-43.6	172.9	-178.8	67.1	-170.9	-170.1	8	110.7	V220 D221 D226 M227 M228 E238 K306 F333	V220-R224 HydrophobicContact CG1-CB 3.84Å; V220-R224 HydrophobicContact CG1-CG 3.76Å; D221-R224 PolarHBondContact O-N 3.19Å; D221-R224 WeakPolarHBondContact OD1-CA 3.39Å; D221-R224 WeakPolarHBondContact OD1-CB 3.41Å; D221-R224 PolarHBondContact OD1-N 3.39Å; R224-D226 VanDerWaalsContact C-N 3.32Å; R224-D226 PolarHBondContact O-N 3.24Å; R224-M227 PolarHBondContact O-N 3.24Å; R224-M228 HydrophobicContact CG-SD 4.22Å; R224-M228 PolarHBondContact NE-SD 2.66Å; R224-M228 WeakPolarHBondContact O-CG 3.42Å; R224-M228 PolarHBondContact O-N 2.94Å; R224-E238 IonicContact CZ-OE2 3.43Å; R224-E238 IonicContact NE-OE2 3.34Å; R224-E238 VanDerWaalsContact NH2-CD 3.33Å; R224-E238 IonicContact NH2-OE1 3.55Å; R224-E238 PolarHBondContact NH2-OE1 3.37Å; R224-E238 IonicContact NH2-OE2 3.75Å; R224-E238 PolarHBondContact NH2-OE2 2.9Å; R224-K306 HydrophobicContact CB-CB 4.39Å; R224-F333 VanDerWaalsContact CZ-CE1 3.45Å; R224-F333 VanDerWaalsContact NH1-CD2 3.27Å; R224-F333 VanDerWaalsContact NH1-CG 3.28Å; R224-F333 PolarHBondContact NH1-O 3.13Å
225	Y	95.6	Very high	94.3	Very high	22 Å²	22	38.8 Å²	38.8	9%	0.086	21%	0.207	C	C	.	.	H	α-helix	trans	-58.2	-42.9	173.4	171.7	-107.9	0	0	0	112.4	D221 K222 M228 R230 Q232 V235 I264 T266	D221-Y225 PolarHBondContact O-N 3.44Å; D221-Y225 VanDerWaalsContact O-N 3.08Å; K222-Y225 PolarHBondContact O-N 2.91Å; Y225-M228 CarbonylContact O-C 3.57Å; Y225-M228 PolarHBondContact O-N 3.1Å; Y225-R230 HydrophobicContact CD1-CG 4.25Å; Y225-R230 HydrophobicContact CE1-CB 3.85Å; Y225-R230 HydrophobicContact CE1-CG 3.88Å; Y225-R230 HydrophobicContact CE2-CB 4.47Å; Y225-R230 WeakPolarHBondContact O-CA 3.03Å; Y225-R230 PolarHBondContact O-N 3.44Å; Y225-R230 PolarHBondContact OH-O 3.48Å; Y225-R230 VanDerWaalsContact OH-O 3.12Å; Y225-Q232 HydrophobicContact CE2-CG 3.74Å; Y225-V235 HydrophobicContact CD2-CG2 4.03Å; Y225-I264 HydrophobicContact CD2-CG2 3.57Å; Y225-I264 HydrophobicContact CE2-CG2 4.26Å; Y225-I264 HydrophobicContact CG-CG2 3.91Å; Y225-T266 HydrophobicContact CD1-CG2 4.27Å; Y225-T266 HydrophobicContact CD2-CG2 4.12Å; Y225-T266 HydrophobicContact CE1-CG2 3.86Å; Y225-T266 HydrophobicContact CE2-CG2 3.7Å; Y225-T266 HydrophobicContact CG-CG2 4.37Å
226	D	94.9	Very high	94.4	Very high	50 Å²	50	40.8 Å²	40.8	27%	0.267	21%	0.214	S	C	.	.	H	α-helix	trans	-69.1	-36.2	176.4	-84.1	11	0	0	0	112.2	K222 R224 M228 G229 R230	K222-D226 WeakPolarHBondContact CE-OD1 3.42Å; K222-D226 WeakPolarHBondContact CE-OD2 3.03Å; K222-D226 IonicContact NZ-OD1 3.85Å; K222-D226 PolarHBondContact NZ-OD1 3.1Å; K222-D226 IonicContact NZ-OD2 3.7Å; K222-D226 PolarHBondContact NZ-OD2 2.02Å; K222-D226 WeakPolarHBondContact O-CB 3.42Å; K222-D226 PolarHBondContact O-N 3.16Å; R224-D226 VanDerWaalsContact C-N 3.32Å; R224-D226 PolarHBondContact O-N 3.24Å; D226-M228 VanDerWaalsContact C-N 3.33Å; D226-M228 PolarHBondContact O-N 3.4Å; D226-G229 PolarHBondContact O-N 3.42Å; D226-R230 VanDerWaalsContact CG-NE 3.26Å; D226-R230 VanDerWaalsContact OD1-CG 3.25Å; D226-R230 WeakPolarHBondContact OD1-CG 3.45Å; D226-R230 IonicContact OD1-CZ 2.63Å; D226-R230 IonicContact OD1-NE 3.1Å; D226-R230 PolarHBondContact OD1-NE 2.96Å; D226-R230 IonicContact OD1-NH2 2.8Å; D226-R230 IonicContact OD2-CZ 2.8Å; D226-R230 IonicContact OD2-NE 3.71Å; D226-R230 PolarHBondContact OD2-NE 3.1Å; D226-R230 IonicContact OD2-NH2 2.72Å; D226-R230 PolarHBondContact OD2-NH2 3.09Å
227	M	91.7	Very high	94	Very high	93 Å²	93	42.9 Å²	42.9	46%	0.458	22%	0.224	S	C	.	.	H	α-helix	trans	-63.8	-34.7	171	-84.9	-171.2	58.3	0	0	113	E223 R224 G229 K306	E223-M227 WeakPolarHBondContact O-CB 3.45Å; E223-M227 PolarHBondContact O-N 2.83Å; R224-M227 PolarHBondContact O-N 3.24Å; M227-G229 PolarHBondContact O-N 2.95Å; M227-G229 VanDerWaalsContact O-N 3.08Å; M227-K306 HydrophobicContact CG-CG 4.43Å; M227-K306 HydrophobicContact SD-CD 4.15Å; M227-K306 HydrophobicContact SD-CG 3.45Å; M227-K306 WeakPolarHBondContact SD-CG 3.49Å
228	M	91.1	Very high	93.7	Very high	33 Å²	33	44.8 Å²	44.8	16%	0.163	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	30.3	175.7	-63.4	-177.7	77	0	0	112.7	R224 Y225 D226 R230 N231 A234 V235 E238	R224-M228 HydrophobicContact CG-SD 4.22Å; R224-M228 PolarHBondContact NE-SD 2.66Å; R224-M228 WeakPolarHBondContact O-CG 3.42Å; R224-M228 PolarHBondContact O-N 2.94Å; Y225-M228 CarbonylContact O-C 3.57Å; Y225-M228 PolarHBondContact O-N 3.1Å; D226-M228 VanDerWaalsContact C-N 3.33Å; D226-M228 PolarHBondContact O-N 3.4Å; M228-R230 PolarHBondContact O-N 3.03Å; M228-N231 PolarHBondContact O-N 3.36Å; M228-A234 HydrophobicContact CE-CB 4.38Å; M228-A234 WeakPolarHBondContact CE-O 3.28Å; M228-V235 HydrophobicContact CB-CG2 4.08Å; M228-V235 HydrophobicContact CE-CG2 4.33Å; M228-V235 HydrophobicContact CG-CG2 4.5Å; M228-V235 HydrophobicContact SD-CB 4.39Å; M228-V235 HydrophobicContact SD-CG2 3.73Å; M228-E238 HydrophobicContact CE-CB 3.83Å; M228-E238 VanDerWaalsContact CE-CD 3.43Å; M228-E238 HydrophobicContact CE-CG 4.25Å; M228-E238 WeakPolarHBondContact CE-OE2 3.45Å
229	G	93.4	Very high	93.5	Very high	64 Å²	64	44.8 Å²	44.8	66%	0.66	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.5	20.4	174.8	0	0	0	0	0	114.5	D226 M227 N231	D226-G229 PolarHBondContact O-N 3.42Å; M227-G229 PolarHBondContact O-N 2.95Å; M227-G229 VanDerWaalsContact O-N 3.08Å; G229-N231 PolarHBondContact O-N 3.49Å
230	R	93.8	Very high	93.2	Very high	151 Å²	151	44.9 Å²	44.9	57%	0.57	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	31.2	-173.9	-61	177.8	172.1	156.3	2.6	113.5	Y225 D226 M228	Y225-R230 HydrophobicContact CD1-CG 4.25Å; Y225-R230 HydrophobicContact CE1-CB 3.85Å; Y225-R230 HydrophobicContact CE1-CG 3.88Å; Y225-R230 HydrophobicContact CE2-CB 4.47Å; Y225-R230 WeakPolarHBondContact O-CA 3.03Å; Y225-R230 PolarHBondContact O-N 3.44Å; Y225-R230 PolarHBondContact OH-O 3.48Å; Y225-R230 VanDerWaalsContact OH-O 3.12Å; D226-R230 VanDerWaalsContact CG-NE 3.26Å; D226-R230 VanDerWaalsContact OD1-CG 3.25Å; D226-R230 WeakPolarHBondContact OD1-CG 3.45Å; D226-R230 IonicContact OD1-CZ 2.63Å; D226-R230 IonicContact OD1-NE 3.1Å; D226-R230 PolarHBondContact OD1-NE 2.96Å; D226-R230 IonicContact OD1-NH2 2.8Å; D226-R230 IonicContact OD2-CZ 2.8Å; D226-R230 IonicContact OD2-NE 3.71Å; D226-R230 PolarHBondContact OD2-NE 3.1Å; D226-R230 IonicContact OD2-NH2 2.72Å; D226-R230 PolarHBondContact OD2-NH2 3.09Å; M228-R230 PolarHBondContact O-N 3.03Å
231	N	94.4	Very high	92.7	Very high	79 Å²	79	45.5 Å²	45.5	42%	0.422	24%	0.236	S	C	.	.			trans	-100.2	102.3	-179.7	-176.3	-15.4	0	0	0	110.6	M228 G229 T233 A234 V235	M228-N231 PolarHBondContact O-N 3.36Å; G229-N231 PolarHBondContact O-N 3.49Å; N231-T233 VanDerWaalsContact C-N 3.28Å; N231-T233 PolarHBondContact O-N 3.47Å; N231-T233 WeakPolarHBondContact OD1-CB 3.33Å; N231-T233 PolarHBondContact OD1-N 2.98Å; N231-T233 VanDerWaalsContact OD1-N 3.13Å; N231-A234 HydrophobicContact CB-CB 3.8Å; N231-A234 PolarHBondContact O-N 2.99Å; N231-A234 VanDerWaalsContact O-N 3.13Å; N231-A234 PolarHBondContact OD1-N 3.39Å; N231-A234 VanDerWaalsContact OD1-N 3.11Å; N231-V235 PolarHBondContact O-N 2.7Å; N231-V235 VanDerWaalsContact O-N 3.13Å
232	Q	92.1	Very high	92.5	Very high	80 Å²	80	45.4 Å²	45.4	37%	0.374	24%	0.236	S	C	.	.	H	α-helix	trans	-57.2	-40.3	179.9	-63.5	178	-4.4	0	0	112.3	T96 Y225 V235 R236 I264 T266	T96-Q232 HydrophobicContact CG2-CG 4.4Å; Y225-Q232 HydrophobicContact CE2-CG 3.74Å; Q232-V235 PolarHBondContact O-N 3.06Å; Q232-R236 WeakPolarHBondContact O-CB 3.42Å; Q232-R236 PolarHBondContact O-N 2.87Å; Q232-I264 HydrophobicContact CB-CD1 4.41Å; Q232-T266 HydrophobicContact CG-CG2 4.18Å
233	T	89.8	Confident	92.3	Very high	73 Å²	73	43.8 Å²	43.8	45%	0.448	23%	0.229	S	C	.	.	H	α-helix	trans	-62.4	-45.4	176.1	-51.1	0	0	0	0	111	N231 V235 R236 E237	N231-T233 VanDerWaalsContact C-N 3.28Å; N231-T233 PolarHBondContact O-N 3.47Å; N231-T233 WeakPolarHBondContact OD1-CB 3.33Å; N231-T233 PolarHBondContact OD1-N 2.98Å; N231-T233 VanDerWaalsContact OD1-N 3.13Å; T233-V235 VanDerWaalsContact C-N 3.34Å; T233-V235 PolarHBondContact O-N 2.8Å; T233-R236 PolarHBondContact O-N 3.31Å; T233-R236 VanDerWaalsContact O-N 3.13Å; T233-E237 HydrophobicContact CG2-CG 4.19Å; T233-E237 WeakPolarHBondContact O-CG 3.07Å; T233-E237 PolarHBondContact O-N 3.27Å
234	A	90.4	Very high	92	Very high	37 Å²	37	40.4 Å²	40.4	31%	0.306	21%	0.213	S	C	.	.	H	α-helix	trans	-61.5	-41.2	179.3	0	0	0	0	0	112.4	M228 N231 E238	M228-A234 HydrophobicContact CE-CB 4.38Å; M228-A234 WeakPolarHBondContact CE-O 3.28Å; N231-A234 HydrophobicContact CB-CB 3.8Å; N231-A234 PolarHBondContact O-N 2.99Å; N231-A234 VanDerWaalsContact O-N 3.13Å; N231-A234 PolarHBondContact OD1-N 3.39Å; N231-A234 VanDerWaalsContact OD1-N 3.11Å; A234-E238 WeakPolarHBondContact O-CB 3.5Å; A234-E238 PolarHBondContact O-N 3.15Å
235	V	93.9	Very high	91.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.7	-49.3	171.8	178.3	0	0	0	0	110.5	V220 Y225 M228 N231 Q232 T233 E237 E238 M239 I264	V220-V235 HydrophobicContact CB-CG1 4.17Å; V220-V235 HydrophobicContact CG1-CG1 4.01Å; V220-V235 HydrophobicContact CG2-CG1 3.82Å; Y225-V235 HydrophobicContact CD2-CG2 4.03Å; M228-V235 HydrophobicContact CB-CG2 4.08Å; M228-V235 HydrophobicContact CE-CG2 4.33Å; M228-V235 HydrophobicContact CG-CG2 4.5Å; M228-V235 HydrophobicContact SD-CB 4.39Å; M228-V235 HydrophobicContact SD-CG2 3.73Å; N231-V235 PolarHBondContact O-N 2.7Å; N231-V235 VanDerWaalsContact O-N 3.13Å; Q232-V235 PolarHBondContact O-N 3.06Å; T233-V235 VanDerWaalsContact C-N 3.34Å; T233-V235 PolarHBondContact O-N 2.8Å; V235-E237 PolarHBondContact O-N 2.98Å; V235-E238 PolarHBondContact O-N 3.25Å; V235-M239 HydrophobicContact CG1-CG 4.09Å; V235-M239 VanDerWaalsContact O-CG 3.3Å; V235-M239 WeakPolarHBondContact O-CG 3.36Å; V235-M239 PolarHBondContact O-N 2.97Å; V235-I264 HydrophobicContact CB-CD1 3.92Å; V235-I264 HydrophobicContact CG1-CD1 3.79Å; V235-I264 HydrophobicContact CG1-CG1 3.99Å; V235-I264 HydrophobicContact CG1-CG2 4.46Å
236	R	91.8	Very high	91.5	Very high	48 Å²	48	38.4 Å²	38.4	18%	0.181	21%	0.205	C	C	.	.	H	α-helix	trans	-59.1	-50.9	-177.2	-173.1	-175.1	68.1	-159.2	-0.3	112.5	V94 D106 Q232 T233 E238 M239 I240 L262	V94-R236 HydrophobicContact CG2-CG 4.4Å; D106-R236 IonicContact OD2-NH1 2.8Å; Q232-R236 WeakPolarHBondContact O-CB 3.42Å; Q232-R236 PolarHBondContact O-N 2.87Å; T233-R236 PolarHBondContact O-N 3.31Å; T233-R236 VanDerWaalsContact O-N 3.13Å; R236-E238 VanDerWaalsContact C-N 3.29Å; R236-E238 PolarHBondContact O-N 3.35Å; R236-M239 PolarHBondContact O-N 3.34Å; R236-I240 HydrophobicContact CG-CD1 3.85Å; R236-I240 HydrophobicContact CG-CG1 4.49Å; R236-I240 VanDerWaalsContact O-CG1 3.29Å; R236-I240 WeakPolarHBondContact O-CG1 3.43Å; R236-I240 PolarHBondContact O-N 3.2Å; R236-L262 HydrophobicContact CB-CD2 3.96Å; R236-L262 HydrophobicContact CG-CD2 3.96Å
237	E	87.8	Confident	91.1	Very high	43 Å²	43	36.1 Å²	36.1	20%	0.201	19%	0.193	C	C	.	.	H	α-helix	trans	-65.4	-32.9	-179.3	-52.1	-45.1	128	0	0	111.9	T233 V235 L241	T233-E237 HydrophobicContact CG2-CG 4.19Å; T233-E237 WeakPolarHBondContact O-CG 3.07Å; T233-E237 PolarHBondContact O-N 3.27Å; V235-E237 PolarHBondContact O-N 2.98Å; E237-L241 VanDerWaalsContact O-CB 3.3Å; E237-L241 WeakPolarHBondContact O-CB 3.41Å; E237-L241 PolarHBondContact O-N 3.31Å
238	E	90.1	Very high	90.7	Very high	41 Å²	41	32.8 Å²	32.8	19%	0.192	18%	0.179	C	C	.	.	H	α-helix	trans	-69.6	-39.6	174.4	-168.5	179.7	-107.9	0	0	112.4	R224 M228 A234 V235 R236 L241 L242 F333 V338	R224-E238 IonicContact CZ-OE2 3.43Å; R224-E238 IonicContact NE-OE2 3.34Å; R224-E238 VanDerWaalsContact NH2-CD 3.33Å; R224-E238 IonicContact NH2-OE1 3.55Å; R224-E238 PolarHBondContact NH2-OE1 3.37Å; R224-E238 IonicContact NH2-OE2 3.75Å; R224-E238 PolarHBondContact NH2-OE2 2.9Å; M228-E238 HydrophobicContact CE-CB 3.83Å; M228-E238 VanDerWaalsContact CE-CD 3.43Å; M228-E238 HydrophobicContact CE-CG 4.25Å; M228-E238 WeakPolarHBondContact CE-OE2 3.45Å; A234-E238 WeakPolarHBondContact O-CB 3.5Å; A234-E238 PolarHBondContact O-N 3.15Å; V235-E238 PolarHBondContact O-N 3.25Å; R236-E238 VanDerWaalsContact C-N 3.29Å; R236-E238 PolarHBondContact O-N 3.35Å; E238-L241 WeakPolarHBondContact O-CB 3.41Å; E238-L241 PolarHBondContact O-N 3.08Å; E238-L242 WeakPolarHBondContact O-CB 3.13Å; E238-L242 PolarHBondContact O-N 3.32Å; E238-F333 HydrophobicContact CG-CE1 4.44Å; E238-F333 VanDerWaalsContact OE2-CE1 3.25Å; E238-F333 WeakPolarHBondContact OE2-CE1 3.27Å; E238-V338 HydrophobicContact CG-CB 4.4Å; E238-V338 HydrophobicContact CG-CG2 4.13Å
239	M	94.8	Very high	90.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-73.4	-32.2	178.4	-63.4	-57.5	97.2	0	0	112.6	I218 V220 V235 R236 L242 A243 L262 V304 F333	I218-M239 HydrophobicContact CD1-CB 4.36Å; I218-M239 HydrophobicContact CG2-CB 4.36Å; I218-M239 HydrophobicContact CG2-CG 4.06Å; I218-M239 HydrophobicContact CG2-SD 3.77Å; V220-M239 HydrophobicContact CG2-CG 3.87Å; V220-M239 HydrophobicContact CG2-SD 3.88Å; V235-M239 HydrophobicContact CG1-CG 4.09Å; V235-M239 VanDerWaalsContact O-CG 3.3Å; V235-M239 WeakPolarHBondContact O-CG 3.36Å; V235-M239 PolarHBondContact O-N 2.97Å; R236-M239 PolarHBondContact O-N 3.34Å; M239-L242 HydrophobicContact CE-CD2 4.14Å; M239-L242 WeakPolarHBondContact O-CB 3.43Å; M239-L242 HydrophobicContact SD-CD2 3.86Å; M239-A243 PolarHBondContact O-N 3.45Å; M239-L262 HydrophobicContact CB-CD1 4.07Å; M239-L262 HydrophobicContact CB-CD2 4.37Å; M239-L262 HydrophobicContact CG-CD1 3.9Å; M239-V304 HydrophobicContact SD-CB 4.46Å; M239-V304 HydrophobicContact SD-CG1 4.27Å; M239-V304 HydrophobicContact SD-CG2 4.02Å; M239-F333 HydrophobicContact CE-CD1 4.33Å; M239-F333 HydrophobicContact CE-CE1 3.99Å
240	I	91.2	Very high	90.2	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-67.9	-38.6	169.7	-64.5	169.2	0	0	0	110.5	L87 L88 R236 A243 N244 L259	L87-I240 HydrophobicContact CD2-CG2 4.02Å; L88-I240 HydrophobicContact CD1-CD1 4.16Å; L88-I240 HydrophobicContact CD1-CG1 4.45Å; L88-I240 HydrophobicContact CD1-CG2 3.87Å; L88-I240 HydrophobicContact CD2-CG1 4.15Å; L88-I240 HydrophobicContact CD2-CG2 4.31Å; L88-I240 HydrophobicContact CG-CG2 4.44Å; R236-I240 HydrophobicContact CG-CD1 3.85Å; R236-I240 HydrophobicContact CG-CG1 4.49Å; R236-I240 VanDerWaalsContact O-CG1 3.29Å; R236-I240 WeakPolarHBondContact O-CG1 3.43Å; R236-I240 PolarHBondContact O-N 3.2Å; I240-A243 PolarHBondContact O-N 2.7Å; I240-N244 PolarHBondContact O-N 2.93Å; I240-N244 VanDerWaalsContact O-N 3.07Å; I240-L259 HydrophobicContact CG1-CD2 4.04Å
241	L	88.1	Confident	89.5	Confident	13 Å²	13	25 Å²	25	7%	0.068	13%	0.133	C	C	.	.	H	α-helix	trans	-62.8	-46.6	175.1	-175.7	58.3	0	0	0	111.8	R137 E237 E238 A243 N244 Y245 V338	R137-L241 HydrophobicContact CG-CD2 4.35Å; E237-L241 VanDerWaalsContact O-CB 3.3Å; E237-L241 WeakPolarHBondContact O-CB 3.41Å; E237-L241 PolarHBondContact O-N 3.31Å; E238-L241 WeakPolarHBondContact O-CB 3.41Å; E238-L241 PolarHBondContact O-N 3.08Å; L241-A243 PolarHBondContact O-N 2.99Å; L241-N244 PolarHBondContact O-N 3.2Å; L241-Y245 HydrophobicContact CD1-CE1 3.74Å; L241-Y245 HydrophobicContact CD1-CE2 4.4Å; L241-Y245 WeakPolarHBondContact CD1-OH 3.33Å; L241-Y245 HydrophobicContact CG-CE1 4.21Å; L241-Y245 HydrophobicContact CG-CE2 3.96Å; L241-Y245 WeakPolarHBondContact CG-OH 3.43Å; L241-Y245 PolarHBondContact O-N 3.24Å; L241-V338 HydrophobicContact CD2-CG1 4.1Å
242	L	93.1	Very high	88.6	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-52.9	-51.3	171.8	169.4	60.7	0	0	0	111.4	I218 E238 M239 N244 Y245 L246 V338 F341 A342 V345	I218-L242 HydrophobicContact CD1-CD2 4.17Å; E238-L242 WeakPolarHBondContact O-CB 3.13Å; E238-L242 PolarHBondContact O-N 3.32Å; M239-L242 HydrophobicContact CE-CD2 4.14Å; M239-L242 WeakPolarHBondContact O-CB 3.43Å; M239-L242 HydrophobicContact SD-CD2 3.86Å; L242-N244 VanDerWaalsContact C-N 3.29Å; L242-N244 PolarHBondContact O-N 3.46Å; L242-Y245 WeakPolarHBondContact O-CB 3.32Å; L242-Y245 PolarHBondContact O-N 2.78Å; L242-L246 HydrophobicContact CD1-CD1 4.49Å; L242-L246 HydrophobicContact CD1-CG 4.41Å; L242-L246 HydrophobicContact CG-CD1 4.47Å; L242-L246 WeakPolarHBondContact O-CG 3.47Å; L242-L246 PolarHBondContact O-N 3.25Å; L242-V338 HydrophobicContact CB-CG2 4.14Å; L242-F341 HydrophobicContact CD1-CD1 4.1Å; L242-F341 HydrophobicContact CD2-CD1 3.94Å; L242-F341 HydrophobicContact CD2-CE1 3.7Å; L242-A342 HydrophobicContact CD1-CB 3.6Å; L242-V345 HydrophobicContact CD1-CB 4.36Å; L242-V345 HydrophobicContact CD1-CG2 4.18Å; L242-V345 HydrophobicContact CD2-CG2 4.33Å
243	A	92.4	Very high	88.2	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.2	-37.3	178.1	0	0	0	0	0	113.1	L87 M239 I240 L241 Y245 L246 D247 L259	L87-A243 HydrophobicContact CD1-CB 3.95Å; M239-A243 PolarHBondContact O-N 3.45Å; I240-A243 PolarHBondContact O-N 2.7Å; L241-A243 PolarHBondContact O-N 2.99Å; A243-Y245 VanDerWaalsContact C-N 3.29Å; A243-Y245 PolarHBondContact O-N 2.73Å; A243-L246 PolarHBondContact O-N 3.2Å; A243-D247 PolarHBondContact O-N 2.99Å; A243-L259 HydrophobicContact CB-CB 3.83Å; A243-L259 HydrophobicContact CB-CD2 4.02Å; A243-L259 HydrophobicContact CB-CG 4.36Å
244	N	87.5	Confident	87.6	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67	-29.5	176.7	-163.5	64.6	0	0	0	112.5	N84 L87 H115 F116 I240 L241 L242 S248	N84-N244 PolarHBondContact ND2-OD1 3.31Å; L87-N244 HydrophobicContact CD1-CB 4.17Å; L87-N244 HydrophobicContact CD2-CB 3.77Å; H115-N244 HydrophobicContact CB-CB 4.39Å; F116-N244 PolarHBondContact O-ND2 2.76Å; F116-N244 VanDerWaalsContact O-ND2 3.09Å; I240-N244 PolarHBondContact O-N 2.93Å; I240-N244 VanDerWaalsContact O-N 3.07Å; L241-N244 PolarHBondContact O-N 3.2Å; L242-N244 VanDerWaalsContact C-N 3.29Å; L242-N244 PolarHBondContact O-N 3.46Å; N244-S248 PolarHBondContact O-N 3.18Å
245	Y	88	Confident	87.4	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-73.7	-37.4	171.2	-58.4	-23.8	0	0	0	112.2	G138 L139 L241 L242 A243 S248 M249 V338 E339 A342	G138-Y245 VanDerWaalsContact CA-CE1 3.47Å; G138-Y245 WeakPolarHBondContact CA-OH 3.46Å; L139-Y245 HydrophobicContact CD1-CD1 3.96Å; L139-Y245 HydrophobicContact CD1-CD2 4.33Å; L139-Y245 HydrophobicContact CD1-CG 3.86Å; L139-Y245 HydrophobicContact CG-CD1 4.24Å; L139-Y245 HydrophobicContact CG-CE1 4.4Å; L241-Y245 HydrophobicContact CD1-CE1 3.74Å; L241-Y245 HydrophobicContact CD1-CE2 4.4Å; L241-Y245 WeakPolarHBondContact CD1-OH 3.33Å; L241-Y245 HydrophobicContact CG-CE1 4.21Å; L241-Y245 HydrophobicContact CG-CE2 3.96Å; L241-Y245 WeakPolarHBondContact CG-OH 3.43Å; L241-Y245 PolarHBondContact O-N 3.24Å; L242-Y245 WeakPolarHBondContact O-CB 3.32Å; L242-Y245 PolarHBondContact O-N 2.78Å; A243-Y245 VanDerWaalsContact C-N 3.29Å; A243-Y245 PolarHBondContact O-N 2.73Å; Y245-S248 WeakPolarHBondContact O-CB 3.27Å; Y245-S248 PolarHBondContact O-N 3.48Å; Y245-M249 WeakPolarHBondContact O-CG 3.34Å; Y245-M249 PolarHBondContact O-N 3.04Å; Y245-V338 HydrophobicContact CD2-CG2 4.49Å; Y245-V338 HydrophobicContact CE2-CG1 4.12Å; Y245-V338 HydrophobicContact CE2-CG2 4.14Å; Y245-E339 HydrophobicContact CE2-CB 4.43Å; Y245-E339 HydrophobicContact CE2-CG 3.85Å; Y245-E339 PolarHBondContact OH-OE1 2.91Å; Y245-A342 HydrophobicContact CD2-CB 3.91Å; Y245-A342 HydrophobicContact CG-CB 4.38Å
246	L	91.9	Very high	86.9	Confident	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.9	-49.6	175.7	-62.1	176.7	0	0	0	110.6	L216 L242 A243 S248 M249 Y250 I257 A342 V345 A346	L216-L246 HydrophobicContact CD2-CD1 3.71Å; L242-L246 HydrophobicContact CD1-CD1 4.49Å; L242-L246 HydrophobicContact CD1-CG 4.41Å; L242-L246 HydrophobicContact CG-CD1 4.47Å; L242-L246 WeakPolarHBondContact O-CG 3.47Å; L242-L246 PolarHBondContact O-N 3.25Å; A243-L246 PolarHBondContact O-N 3.2Å; L246-S248 PolarHBondContact O-N 3.42Å; L246-M249 PolarHBondContact O-N 3.1Å; L246-Y250 WeakPolarHBondContact O-CB 3.36Å; L246-Y250 VanDerWaalsContact O-CD2 3.32Å; L246-Y250 WeakPolarHBondContact O-CD2 3.45Å; L246-Y250 PolarHBondContact O-N 2.98Å; L246-I257 HydrophobicContact CB-CB 4.31Å; L246-I257 HydrophobicContact CB-CG1 4.01Å; L246-I257 HydrophobicContact CB-CG2 4.12Å; L246-A342 WeakPolarHBondContact CD2-O 3.41Å; L246-V345 HydrophobicContact CD1-CB 4.3Å; L246-V345 HydrophobicContact CD1-CG1 3.7Å; L246-V345 HydrophobicContact CD2-CB 4.09Å; L246-V345 HydrophobicContact CD2-CG1 4.29Å; L246-A346 HydrophobicContact CD2-CB 3.75Å
247	D	86.7	Confident	86.8	Confident	3 Å²	3	16.8 Å²	16.8	2%	0.016	9%	0.085	C	C	.	.	H	α-helix	trans	-54.5	-38.1	174.9	-168.8	46.5	0	0	0	112.1	N84 A243 I251 R256 I257	N84-D247 PolarHBondContact ND2-OD2 2.87Å; A243-D247 PolarHBondContact O-N 2.99Å; D247-I251 PolarHBondContact O-N 2.89Å; D247-I251 VanDerWaalsContact O-N 3.15Å; D247-R256 WeakPolarHBondContact OD1-CA 3.34Å; D247-R256 IonicContact OD1-CZ 2.65Å; D247-R256 IonicContact OD1-NE 3.32Å; D247-R256 PolarHBondContact OD1-NE 3.03Å; D247-R256 IonicContact OD1-NH2 2.84Å; D247-R256 PolarHBondContact OD1-NH2 2.68Å; D247-R256 IonicContact OD2-CZ 3.67Å; D247-R256 IonicContact OD2-NE 3.62Å; D247-R256 PolarHBondContact OD2-NE 3.46Å; D247-R256 IonicContact OD2-NH2 3.68Å; D247-R256 PolarHBondContact OD2-NH2 2.65Å; D247-I257 HydrophobicContact CB-CB 4.06Å; D247-I257 PolarHBondContact OD1-N 3.31Å
248	S	83.3	Confident	86.9	Confident	22 Å²	22	14.9 Å²	14.9	15%	0.154	8%	0.076	C	C	.	.	H	α-helix	trans	-70	-28.7	177.2	-162.3	0	0	0	0	115.2	A129 N244 Y245 L246 I251	A129-S248 WeakPolarHBondContact CB-OG 3.45Å; N244-S248 PolarHBondContact O-N 3.18Å; Y245-S248 WeakPolarHBondContact O-CB 3.27Å; Y245-S248 PolarHBondContact O-N 3.48Å; L246-S248 PolarHBondContact O-N 3.42Å; S248-I251 WeakPolarHBondContact O-CG2 3.46Å
249	M	86.3	Confident	87	Confident	5 Å²	5	13 Å²	13	3%	0.025	7%	0.067	C	C	.	.	H	α-helix	trans	-83.5	-35	175.5	-68.9	-178.3	-125.9	0	0	111.2	L139 Y245 L246 M252 A342 A346 I371 R380 F382	L139-M249 HydrophobicContact CD1-CE 4.31Å; Y245-M249 WeakPolarHBondContact O-CG 3.34Å; Y245-M249 PolarHBondContact O-N 3.04Å; L246-M249 PolarHBondContact O-N 3.1Å; M249-M252 WeakPolarHBondContact O-CG 3.15Å; M249-A342 HydrophobicContact CE-CB 3.52Å; M249-A346 HydrophobicContact SD-CB 3.83Å; M249-I371 HydrophobicContact CB-CD1 4.01Å; M249-I371 HydrophobicContact CG-CD1 4.27Å; M249-I371 HydrophobicContact SD-CD1 3.96Å; M249-R380 HydrophobicContact CG-CB 4.39Å; M249-R380 VanDerWaalsContact SD-CD 3.58Å; M249-F382 HydrophobicContact CB-CE2 4.5Å
250	Y	87.4	Confident	86.8	Confident	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-78.8	-21.7	-176.3	-88.7	-72.3	0	0	0	114.6	L246 M252 L253 I255 I257 A346 L349 G350 L353 M355 F382	L246-Y250 WeakPolarHBondContact O-CB 3.36Å; L246-Y250 VanDerWaalsContact O-CD2 3.32Å; L246-Y250 WeakPolarHBondContact O-CD2 3.45Å; L246-Y250 PolarHBondContact O-N 2.98Å; Y250-M252 PolarHBondContact O-N 3.27Å; Y250-M252 VanDerWaalsContact O-N 3.11Å; Y250-L253 HydrophobicContact CD1-CD1 4.44Å; Y250-L253 PolarHBondContact O-N 2.96Å; Y250-I255 CarbonylContact C-O 3.55Å; Y250-I255 HydrophobicContact CD1-CB 3.94Å; Y250-I255 HydrophobicContact CD1-CD1 3.87Å; Y250-I255 HydrophobicContact CD1-CG1 4.47Å; Y250-I255 HydrophobicContact CD1-CG2 3.9Å; Y250-I255 HydrophobicContact CE1-CD1 4.21Å; Y250-I255 HydrophobicContact CG-CB 4.4Å; Y250-I255 HydrophobicContact CG-CG2 4.24Å; Y250-I255 PolarHBondContact O-N 3.15Å; Y250-I257 HydrophobicContact CD2-CD1 3.69Å; Y250-I257 HydrophobicContact CD2-CG1 3.68Å; Y250-I257 HydrophobicContact CE2-CD1 4.28Å; Y250-I257 HydrophobicContact CG-CD1 3.84Å; Y250-I257 HydrophobicContact CG-CG1 3.97Å; Y250-A346 HydrophobicContact CE2-CB 4.22Å; Y250-A346 PolarHBondContact OH-O 3.23Å; Y250-L349 HydrophobicContact CE2-CB 4.47Å; Y250-L349 HydrophobicContact CE2-CD2 3.94Å; Y250-L349 HydrophobicContact CE2-CG 4.4Å; Y250-L349 VanDerWaalsContact OH-C 3.31Å; Y250-G350 VanDerWaalsContact OH-CA 3.24Å; Y250-G350 WeakPolarHBondContact OH-CA 3.39Å; Y250-G350 PolarHBondContact OH-N 2.97Å; Y250-L353 HydrophobicContact CD1-CD1 4.16Å; Y250-L353 HydrophobicContact CE1-CD1 3.31Å; Y250-M355 HydrophobicContact CE1-CE 3.94Å; Y250-F382 AromaticContact CD1-CE2 3.91Å; Y250-F382 HydrophobicContact CD1-CE2 3.91Å; Y250-F382 HydrophobicContact CD1-CZ 4.17Å; Y250-F382 HydrophobicContact CD2-CE2 4.46Å; Y250-F382 AromaticContact CE1-CE2 3.81Å; Y250-F382 HydrophobicContact CE1-CE2 3.81Å; Y250-F382 AromaticContact CE1-CZ 3.58Å; Y250-F382 HydrophobicContact CE1-CZ 3.58Å; Y250-F382 HydrophobicContact CE2-CE2 4.35Å; Y250-F382 HydrophobicContact CE2-CZ 4.06Å; Y250-F382 HydrophobicContact CG-CE2 4.25Å; Y250-F382 AromaticContact CZ-CZ 3.51Å
251	I	78.9	Confident	86.8	Confident	80 Å²	80	13 Å²	13	41%	0.41	7%	0.067	S	C	.	.	G	3₁₀ helix	trans	-56.4	-30.4	-179.7	-160.1	170.5	0	0	0	113.8	D247 S248 L253 N254 I255	D247-I251 PolarHBondContact O-N 2.89Å; D247-I251 VanDerWaalsContact O-N 3.15Å; S248-I251 WeakPolarHBondContact O-CG2 3.46Å; I251-L253 PolarHBondContact O-N 2.99Å; I251-N254 PolarHBondContact O-N 3.19Å; I251-I255 WeakPolarHBondContact CA-O 3.29Å; I251-I255 PolarHBondContact N-O 3.07Å
252	M	76.2	Confident	87.3	Confident	81 Å²	81	12.4 Å²	12.4	40%	0.399	6%	0.064	S	C	.	.	G	3₁₀ helix	trans	-68.6	-18.3	178.6	72.2	-176.2	-74.1	0	0	113.9	M249 Y250 N381 F382	M249-M252 WeakPolarHBondContact O-CG 3.15Å; Y250-M252 PolarHBondContact O-N 3.27Å; Y250-M252 VanDerWaalsContact O-N 3.11Å; M252-N381 HydrophobicContact CE-CB 4.36Å; M252-N381 HydrophobicContact SD-CB 4.26Å; M252-F382 HydrophobicContact CE-CB 4.21Å; M252-F382 WeakPolarHBondContact CE-O 3.47Å; M252-F382 HydrophobicContact CG-CD2 4.26Å; M252-F382 HydrophobicContact SD-CB 4.04Å; M252-F382 HydrophobicContact SD-CD2 4.21Å; M252-F382 PolarHBondContact SD-N 2.79Å
253	L	82.6	Confident	87.4	Confident	8 Å²	8	12.4 Å²	12.4	4%	0.042	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-96	6.1	173	-57.5	-176.2	0	0	0	112.3	Y250 I251 I255 M355 F382 A387	Y250-L253 HydrophobicContact CD1-CD1 4.44Å; Y250-L253 PolarHBondContact O-N 2.96Å; I251-L253 PolarHBondContact O-N 2.99Å; L253-I255 HydrophobicContact CB-CD1 3.92Å; L253-I255 HydrophobicContact CB-CG1 3.92Å; L253-I255 HydrophobicContact CD1-CD1 4.16Å; L253-I255 PolarHBondContact O-N 3.05Å; L253-M355 HydrophobicContact CD1-CE 3.31Å; L253-M355 HydrophobicContact CD1-SD 4.08Å; L253-F382 HydrophobicContact CD1-CB 4.16Å; L253-F382 HydrophobicContact CD1-CD1 4.2Å; L253-F382 HydrophobicContact CD1-CD2 3.66Å; L253-F382 HydrophobicContact CD1-CE2 4.08Å; L253-F382 HydrophobicContact CD1-CG 3.73Å; L253-F382 HydrophobicContact CD2-CB 4.03Å; L253-F382 HydrophobicContact CD2-CG 4.49Å; L253-F382 HydrophobicContact CG-CB 4.27Å; L253-F382 HydrophobicContact CG-CD2 3.97Å; L253-F382 HydrophobicContact CG-CG 4.21Å; L253-A387 HydrophobicContact CD2-CB 3.6Å
254	N	76.5	Confident	87.7	Confident	37 Å²	37	12.4 Å²	12.4	20%	0.198	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	33.8	-167.7	-163.7	21.9	0	0	0	112.6	V207 L208 T211 R212 I251	V207-N254 HydrophobicContact CG1-CB 3.46Å; V207-N254 VanDerWaalsContact CG1-CB 3.46Å; L208-N254 PolarHBondContact O-ND2 3.15Å; T211-N254 WeakPolarHBondContact CA-ND2 3.45Å; T211-N254 WeakPolarHBondContact CA-O 3.5Å; T211-N254 WeakPolarHBondContact CA-OD1 3.45Å; T211-N254 WeakPolarHBondContact CB-OD1 3.18Å; T211-N254 WeakPolarHBondContact CG2-OD1 3.48Å; T211-N254 PolarHBondContact N-ND2 3.19Å; T211-N254 PolarHBondContact OG1-ND2 3.06Å; T211-N254 PolarHBondContact OG1-OD1 3.18Å; R212-N254 PolarHBondContact N-O 3.41Å; I251-N254 PolarHBondContact O-N 3.19Å
255	I	86.6	Confident	88.1	Confident	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	142.3	172.5	-57	176.4	0	0	0	108.4	R212 V214 Y250 I251 L253 I257 L353 M355 F390	R212-I255 HydrophobicContact CB-CG1 4.34Å; R212-I255 CarbonylContact O-C 3.42Å; R212-I255 WeakPolarHBondContact O-CA 3.21Å; V214-I255 HydrophobicContact CG2-CG2 3.72Å; Y250-I255 CarbonylContact C-O 3.55Å; Y250-I255 HydrophobicContact CD1-CB 3.94Å; Y250-I255 HydrophobicContact CD1-CD1 3.87Å; Y250-I255 HydrophobicContact CD1-CG1 4.47Å; Y250-I255 HydrophobicContact CD1-CG2 3.9Å; Y250-I255 HydrophobicContact CE1-CD1 4.21Å; Y250-I255 HydrophobicContact CG-CB 4.4Å; Y250-I255 HydrophobicContact CG-CG2 4.24Å; Y250-I255 PolarHBondContact O-N 3.15Å; I251-I255 WeakPolarHBondContact CA-O 3.29Å; I251-I255 PolarHBondContact N-O 3.07Å; L253-I255 HydrophobicContact CB-CD1 3.92Å; L253-I255 HydrophobicContact CB-CG1 3.92Å; L253-I255 HydrophobicContact CD1-CD1 4.16Å; L253-I255 PolarHBondContact O-N 3.05Å; I255-I257 HydrophobicContact CG2-CD1 4.17Å; I255-L353 HydrophobicContact CD1-CD1 4.13Å; I255-M355 HydrophobicContact CD1-CE 4.46Å; I255-F390 HydrophobicContact CD1-CD1 3.77Å; I255-F390 HydrophobicContact CD1-CD2 4.02Å; I255-F390 HydrophobicContact CD1-CE1 3.43Å; I255-F390 VanDerWaalsContact CD1-CE1 3.43Å; I255-F390 HydrophobicContact CD1-CE2 3.72Å; I255-F390 HydrophobicContact CD1-CG 4.05Å; I255-F390 HydrophobicContact CD1-CZ 3.41Å; I255-F390 VanDerWaalsContact CD1-CZ 3.41Å; I255-F390 HydrophobicContact CG1-CD1 4.28Å; I255-F390 HydrophobicContact CG1-CE1 3.56Å; I255-F390 HydrophobicContact CG1-CE2 4.46Å; I255-F390 HydrophobicContact CG1-CZ 3.67Å
256	R	82.8	Confident	88.5	Confident	18 Å²	18	12.9 Å²	12.9	7%	0.068	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136.2	176.4	-61.6	-57.9	-47.6	-61.6	-6.9	109.6	N84 D86 T211 R212 Y213 V214 D247	N84-R256 PolarHBondContact OD1-NH2 3.37Å; D86-R256 IonicContact OD2-CZ 3.42Å; D86-R256 IonicContact OD2-NH1 3.24Å; D86-R256 PolarHBondContact OD2-NH1 3.23Å; D86-R256 IonicContact OD2-NH2 3.14Å; D86-R256 PolarHBondContact OD2-NH2 2.98Å; T211-R256 HydrophobicContact CG2-CG 3.53Å; R212-R256 PolarHBondContact O-N 3.31Å; Y213-R256 CarbonylContact C-O 3.57Å; Y213-R256 WeakPolarHBondContact CA-O 3.3Å; Y213-R256 HydrophobicContact CD1-CB 3.65Å; Y213-R256 HydrophobicContact CD1-CG 4.19Å; Y213-R256 HydrophobicContact CE1-CB 3.82Å; Y213-R256 HydrophobicContact CE1-CG 3.86Å; Y213-R256 HydrophobicContact CG-CB 4.28Å; V214-R256 PolarHBondContact N-O 3.01Å; D247-R256 WeakPolarHBondContact OD1-CA 3.34Å; D247-R256 IonicContact OD1-CZ 2.65Å; D247-R256 IonicContact OD1-NE 3.32Å; D247-R256 PolarHBondContact OD1-NE 3.03Å; D247-R256 IonicContact OD1-NH2 2.84Å; D247-R256 PolarHBondContact OD1-NH2 2.68Å; D247-R256 IonicContact OD2-CZ 3.67Å; D247-R256 IonicContact OD2-NE 3.62Å; D247-R256 PolarHBondContact OD2-NE 3.46Å; D247-R256 IonicContact OD2-NH2 3.68Å; D247-R256 PolarHBondContact OD2-NH2 2.65Å
257	I	90.1	Very high	88.5	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	120	178	-54.9	-56.5	0	0	0	108.7	V214 L216 L246 D247 Y250 I255 L349	V214-I257 HydrophobicContact CB-CD1 3.75Å; V214-I257 HydrophobicContact CG1-CD1 4.45Å; V214-I257 HydrophobicContact CG2-CD1 3.73Å; L216-I257 HydrophobicContact CB-CG2 4.01Å; L216-I257 HydrophobicContact CD2-CG2 3.62Å; L216-I257 HydrophobicContact CG-CG2 4.47Å; L246-I257 HydrophobicContact CB-CB 4.31Å; L246-I257 HydrophobicContact CB-CG1 4.01Å; L246-I257 HydrophobicContact CB-CG2 4.12Å; D247-I257 HydrophobicContact CB-CB 4.06Å; D247-I257 PolarHBondContact OD1-N 3.31Å; Y250-I257 HydrophobicContact CD2-CD1 3.69Å; Y250-I257 HydrophobicContact CD2-CG1 3.68Å; Y250-I257 HydrophobicContact CE2-CD1 4.28Å; Y250-I257 HydrophobicContact CG-CD1 3.84Å; Y250-I257 HydrophobicContact CG-CG1 3.97Å; I255-I257 HydrophobicContact CG2-CD1 4.17Å; I257-L349 HydrophobicContact CD1-CD2 3.82Å
258	V	90	Very high	88.8	Confident	4 Å²	4	17.5 Å²	17.5	2%	0.024	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	116.6	176.6	-171.5	0	0	0	0	108.1	D86 Y213 V214 L216 V260 P406	D86-V258 WeakPolarHBondContact O-CG1 3.38Å; D86-V258 WeakPolarHBondContact O-CG2 3.44Å; Y213-V258 HydrophobicContact CD1-CG2 4.19Å; V214-V258 PolarHBondContact O-N 2.91Å; V214-V258 VanDerWaalsContact O-O 3.14Å; L216-V258 PolarHBondContact N-O 3.38Å; V258-V260 HydrophobicContact CG1-CG1 4.16Å; V258-V260 PolarHBondContact O-N 2.87Å; V258-V260 VanDerWaalsContact O-N 3.16Å; V258-P406 HydrophobicContact CB-CG 3.72Å; V258-P406 HydrophobicContact CG1-CG 3.7Å; V258-P406 HydrophobicContact CG2-CG 3.73Å
259	L	93	Very high	89.3	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	99.7	176.7	-179.2	68	0	0	0	108.2	L87 L88 P89 F92 L216 I218 I240 A243 G261	L87-L259 PolarHBondContact O-N 3.08Å; L88-L259 HydrophobicContact CD2-CB 4.03Å; L88-L259 HydrophobicContact CD2-CD2 4.09Å; L88-L259 HydrophobicContact CD2-CG 4.38Å; P89-L259 WeakPolarHBondContact CD-O 3.38Å; F92-L259 HydrophobicContact CD2-CG 4.27Å; F92-L259 VanDerWaalsContact CD2-O 3.32Å; F92-L259 WeakPolarHBondContact CD2-O 3.33Å; F92-L259 HydrophobicContact CE2-CD2 3.76Å; F92-L259 HydrophobicContact CE2-CG 3.77Å; F92-L259 HydrophobicContact CZ-CD2 4.33Å; L216-L259 HydrophobicContact CG-CD1 4.35Å; L216-L259 CarbonylContact O-C 3.46Å; L216-L259 WeakPolarHBondContact O-CA 3.44Å; I218-L259 HydrophobicContact CB-CD1 4.07Å; I218-L259 HydrophobicContact CD1-CD1 3.59Å; I218-L259 HydrophobicContact CG1-CD1 3.59Å; I240-L259 HydrophobicContact CG1-CD2 4.04Å; A243-L259 HydrophobicContact CB-CB 3.83Å; A243-L259 HydrophobicContact CB-CD2 4.02Å; A243-L259 HydrophobicContact CB-CG 4.36Å; L259-G261 WeakPolarHBondContact CD1-O 3.43Å
260	V	89.9	Confident	89.6	Confident	2 Å²	2	21.5 Å²	21.5	1%	0.012	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	-13.6	-176.6	-61.5	0	0	0	0	113.3	P89 E215 L216 V258 R296 H298 P406	P89-V260 HydrophobicContact CG-CG1 4.41Å; E215-V260 HydrophobicContact CB-CG1 3.91Å; E215-V260 HydrophobicContact CB-CG2 4.06Å; E215-V260 HydrophobicContact CG-CG1 4.1Å; L216-V260 WeakPolarHBondContact O-CG2 3.5Å; L216-V260 PolarHBondContact O-N 2.92Å; V258-V260 HydrophobicContact CG1-CG1 4.16Å; V258-V260 PolarHBondContact O-N 2.87Å; V258-V260 VanDerWaalsContact O-N 3.16Å; V260-R296 VanDerWaalsContact O-CZ 3.24Å; V260-R296 PolarHBondContact O-NE 3.16Å; V260-R296 PolarHBondContact O-NH2 2.86Å; V260-H298 HydrophobicContact CG2-CB 3.7Å; V260-P406 HydrophobicContact CG1-CB 4.14Å; V260-P406 HydrophobicContact CG1-CG 4.3Å
261	G	92.4	Very high	89.6	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	165.2	173	0	0	0	0	0	114.8	V93 I218 L259	V93-G261 CarbonylContact O-C 3.57Å; V93-G261 VanDerWaalsContact O-CA 3.28Å; V93-G261 WeakPolarHBondContact O-CA 3.44Å; I218-G261 PolarHBondContact N-O 2.86Å; I218-G261 VanDerWaalsContact N-O 3.08Å; L259-G261 WeakPolarHBondContact CD1-O 3.43Å
262	L	96.8	Very high	89.8	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	135.8	-179.3	173.9	63.7	0	0	0	110.2	F92 V93 V94 Y95 I218 V220 R236 M239 I264	F92-L262 HydrophobicContact CE2-CB 4.04Å; F92-L262 HydrophobicContact CZ-CB 3.77Å; V93-L262 PolarHBondContact O-N 2.94Å; V94-L262 CarbonylContact C-O 3.49Å; V94-L262 VanDerWaalsContact CA-O 3.28Å; V94-L262 WeakPolarHBondContact CA-O 3.27Å; V94-L262 HydrophobicContact CG1-CD2 4.29Å; V94-L262 HydrophobicContact CG1-CG 4.41Å; Y95-L262 PolarHBondContact N-O 3.22Å; I218-L262 HydrophobicContact CB-CD1 4.1Å; I218-L262 HydrophobicContact CG2-CD1 3.88Å; I218-L262 CarbonylContact O-C 3.56Å; I218-L262 VanDerWaalsContact O-CA 3.31Å; I218-L262 WeakPolarHBondContact O-CA 3.4Å; V220-L262 HydrophobicContact CG2-CD1 3.91Å; R236-L262 HydrophobicContact CB-CD2 3.96Å; R236-L262 HydrophobicContact CG-CD2 3.96Å; M239-L262 HydrophobicContact CB-CD1 4.07Å; M239-L262 HydrophobicContact CB-CD2 4.37Å; M239-L262 HydrophobicContact CG-CD1 3.9Å; L262-I264 HydrophobicContact CD1-CG1 4.4Å; L262-I264 HydrophobicContact CD2-CD1 4.17Å; L262-I264 HydrophobicContact CD2-CG1 4.25Å; L262-I264 HydrophobicContact CG-CG1 4.07Å
263	E	97.1	Very high	90.1	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.8	170.9	-177.5	163.8	135.8	0	0	110.7	Y95 Y97 F217 I218 V219 V220 W265 W287 R295	Y95-E263 HydrophobicContact CD2-CB 4.47Å; Y95-E263 WeakPolarHBondContact O-CA 3.37Å; Y97-E263 HydrophobicContact CE2-CG 4.26Å; Y97-E263 PolarHBondContact OH-OE1 3.42Å; Y97-E263 VanDerWaalsContact OH-OE1 3.09Å; F217-E263 HydrophobicContact CE1-CB 3.7Å; F217-E263 HydrophobicContact CZ-CB 4.11Å; I218-E263 PolarHBondContact O-N 3.17Å; V219-E263 CarbonylContact C-O 3.55Å; V219-E263 WeakPolarHBondContact CA-O 3.29Å; V219-E263 HydrophobicContact CG1-CB 4.35Å; V219-E263 HydrophobicContact CG2-CB 4.34Å; V220-E263 PolarHBondContact N-O 2.73Å; E263-W265 PolarHBondContact OE1-NE1 3.48Å; E263-W287 WeakPolarHBondContact OE1-CH2 3.4Å; E263-W287 WeakPolarHBondContact OE1-CZ2 3.46Å; E263-R295 IonicContact OE1-NH1 3.4Å; E263-R295 PolarHBondContact OE1-NH1 2.87Å; E263-R295 IonicContact OE2-CZ 3.98Å; E263-R295 IonicContact OE2-NH1 2.73Å; E263-R295 PolarHBondContact OE2-NH1 2.72Å
264	I	97.8	Very high	89.6	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	118	-178.5	-48.7	173	0	0	0	108	V94 Y95 T96 Y225 Q232 V235 L262 T266	V94-I264 HydrophobicContact CG1-CD1 4.34Å; Y95-I264 PolarHBondContact O-N 2.92Å; T96-I264 HydrophobicContact CG2-CB 4.35Å; T96-I264 HydrophobicContact CG2-CD1 4.36Å; Y225-I264 HydrophobicContact CD2-CG2 3.57Å; Y225-I264 HydrophobicContact CE2-CG2 4.26Å; Y225-I264 HydrophobicContact CG-CG2 3.91Å; Q232-I264 HydrophobicContact CB-CD1 4.41Å; V235-I264 HydrophobicContact CB-CD1 3.92Å; V235-I264 HydrophobicContact CG1-CD1 3.79Å; V235-I264 HydrophobicContact CG1-CG1 3.99Å; V235-I264 HydrophobicContact CG1-CG2 4.46Å; L262-I264 HydrophobicContact CD1-CG1 4.4Å; L262-I264 HydrophobicContact CD2-CD1 4.17Å; L262-I264 HydrophobicContact CD2-CG1 4.25Å; L262-I264 HydrophobicContact CG-CG1 4.07Å; I264-T266 HydrophobicContact CB-CG2 4.03Å; I264-T266 HydrophobicContact CG2-CG2 3.7Å; I264-T266 PolarHBondContact O-N 2.76Å
265	W	96.8	Very high	89.2	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.152	C	C	.	.			trans	-78.1	66.3	179.9	-67.3	-14.6	0	0	0	111.6	Y97 V219 V220 K222 E263 N267 N269 L270 I271 W287 L303	Y97-W265 AromaticContact CE2-CD1 3.98Å; V219-W265 HydrophobicContact CG1-CD2 4.13Å; V219-W265 HydrophobicContact CG1-CH2 4.21Å; V219-W265 HydrophobicContact CG1-CZ2 3.6Å; V220-W265 PolarHBondContact O-N 3.37Å; K222-W265 WeakPolarHBondContact CA-O 3.44Å; K222-W265 WeakPolarHBondContact CB-O 3.29Å; K222-W265 VanDerWaalsContact CD-O 3.29Å; K222-W265 WeakPolarHBondContact CD-O 3.19Å; E263-W265 PolarHBondContact OE1-NE1 3.48Å; W265-N267 VanDerWaalsContact C-N 3.32Å; W265-N267 PolarHBondContact O-N 3.13Å; W265-N269 HydrophobicContact CE3-CB 3.94Å; W265-N269 HydrophobicContact CZ3-CB 4.23Å; W265-L270 HydrophobicContact CD2-CB 4.42Å; W265-L270 HydrophobicContact CD2-CG 4.18Å; W265-L270 HydrophobicContact CG-CG 4.18Å; W265-L270 HydrophobicContact CZ2-CB 3.94Å; W265-L270 HydrophobicContact CZ2-CG 4.36Å; W265-I271 HydrophobicContact CH2-CB 4.34Å; W265-I271 HydrophobicContact CH2-CD1 4.02Å; W265-I271 HydrophobicContact CH2-CG1 3.76Å; W265-I271 HydrophobicContact CH2-CG2 3.96Å; W265-I271 HydrophobicContact CZ3-CD1 4.33Å; W265-I271 HydrophobicContact CZ3-CG1 3.88Å; W265-W287 HydrophobicContact CZ2-CD2 4.13Å; W265-W287 AromaticContact CZ2-CE2 3.97Å; W265-W287 HydrophobicContact CZ2-CE3 4.16Å; W265-W287 AromaticContact CZ2-CH2 3.96Å; W265-W287 HydrophobicContact CZ2-CH2 3.96Å; W265-W287 AromaticContact CZ2-CZ2 3.92Å; W265-W287 HydrophobicContact CZ2-CZ2 3.92Å; W265-W287 HydrophobicContact CZ2-CZ3 4.07Å; W265-W287 AromaticContact NE1-CZ2 3.97Å; W265-L303 HydrophobicContact CH2-CD1 3.99Å; W265-L303 HydrophobicContact CZ3-CD1 3.93Å
266	T	95.7	Very high	88.1	Confident	10 Å²	10	25.5 Å²	25.5	6%	0.061	17%	0.169	C	C	.	.	S	Bend	trans	-65.5	-28	-170.8	55.5	0	0	0	0	114.5	T96 Y97 K222 Y225 Q232 I264	T96-T266 HydrophobicContact CG2-CG2 4.33Å; Y97-T266 WeakPolarHBondContact CA-OG1 3.5Å; Y97-T266 WeakPolarHBondContact CB-OG1 3.39Å; Y97-T266 PolarHBondContact N-OG1 3.02Å; Y97-T266 PolarHBondContact O-OG1 2.91Å; K222-T266 PolarHBondContact NZ-O 3.38Å; Y225-T266 HydrophobicContact CD1-CG2 4.27Å; Y225-T266 HydrophobicContact CD2-CG2 4.12Å; Y225-T266 HydrophobicContact CE1-CG2 3.86Å; Y225-T266 HydrophobicContact CE2-CG2 3.7Å; Y225-T266 HydrophobicContact CG-CG2 4.37Å; Q232-T266 HydrophobicContact CG-CG2 4.18Å; I264-T266 HydrophobicContact CB-CG2 4.03Å; I264-T266 HydrophobicContact CG2-CG2 3.7Å; I264-T266 PolarHBondContact O-N 2.76Å
267	N	92.1	Very high	87	Confident	72 Å²	72	25 Å²	25	39%	0.385	17%	0.169	S	C	.	.	S	Bend	trans	-89.8	-61.4	178.4	-168.3	-27	0	0	0	111	N98 K99 K222 W265	N98-N267 PolarHBondContact O-ND2 3.33Å; K99-N267 VanDerWaalsContact C-ND2 3.32Å; K99-N267 PolarHBondContact O-ND2 3.02Å; K222-N267 WeakPolarHBondContact CD-O 3.28Å; K222-N267 WeakPolarHBondContact CE-O 3.48Å; W265-N267 VanDerWaalsContact C-N 3.32Å; W265-N267 PolarHBondContact O-N 3.13Å
268	G	92.8	Very high	85.3	Confident	28 Å²	28	26.9 Å²	26.9	29%	0.289	19%	0.188	S	C	.	.	S	Bend	trans	-163.6	165.4	174.9	0	0	0	0	0	112
269	N	93.6	Very high	83.8	Confident	42 Å²	42	30.9 Å²	30.9	23%	0.225	21%	0.209	C	C	.	.			trans	-65.8	135	-178.4	-64.3	-37.3	0	0	0	111.8	K222 E223 W265 I271 I273	K222-N269 WeakPolarHBondContact CB-OD1 3.36Å; K222-N269 PolarHBondContact N-OD1 3.21Å; E223-N269 PolarHBondContact OE2-ND2 2.87Å; W265-N269 HydrophobicContact CE3-CB 3.94Å; W265-N269 HydrophobicContact CZ3-CB 4.23Å; N269-I271 VanDerWaalsContact C-N 3.35Å; N269-I273 WeakPolarHBondContact ND2-CD1 3.25Å
270	L	91.9	Very high	82.5	Confident	69 Å²	69	30.9 Å²	30.9	36%	0.361	21%	0.209	S	C	.	.	S	Bend	trans	-88.5	-3.8	-177.9	-54	-176.1	0	0	0	113.8	Y97 W265 W287	Y97-L270 HydrophobicContact CE1-CD1 4.34Å; Y97-L270 HydrophobicContact CE2-CD1 4.22Å; Y97-L270 WeakPolarHBondContact OH-CD1 3.36Å; W265-L270 HydrophobicContact CD2-CB 4.42Å; W265-L270 HydrophobicContact CD2-CG 4.18Å; W265-L270 HydrophobicContact CG-CG 4.18Å; W265-L270 HydrophobicContact CZ2-CB 3.94Å; W265-L270 HydrophobicContact CZ2-CG 4.36Å; L270-W287 HydrophobicContact CD1-CZ2 3.87Å
271	I	88.7	Confident	81.8	Confident	19 Å²	19	30.9 Å²	30.9	10%	0.097	21%	0.209	C	C	.	.	S	Bend	trans	-125.5	157.2	174.6	72	176.6	0	0	0	110.2	W265 N269 I273 V280 N283 F284 W287 L303	W265-I271 HydrophobicContact CH2-CB 4.34Å; W265-I271 HydrophobicContact CH2-CD1 4.02Å; W265-I271 HydrophobicContact CH2-CG1 3.76Å; W265-I271 HydrophobicContact CH2-CG2 3.96Å; W265-I271 HydrophobicContact CZ3-CD1 4.33Å; W265-I271 HydrophobicContact CZ3-CG1 3.88Å; N269-I271 VanDerWaalsContact C-N 3.35Å; I271-I273 HydrophobicContact CD1-CG2 4.39Å; I271-I273 HydrophobicContact CG1-CG2 3.92Å; I271-I273 PolarHBondContact O-N 3.34Å; I271-V280 HydrophobicContact CD1-CG1 4.12Å; I271-N283 HydrophobicContact CB-CB 4.23Å; I271-N283 HydrophobicContact CD1-CB 4.37Å; I271-F284 HydrophobicContact CD1-CB 3.77Å; I271-F284 HydrophobicContact CD1-CD2 4.41Å; I271-W287 HydrophobicContact CG2-CB 3.39Å; I271-W287 HydrophobicContact CG2-CD2 4.19Å; I271-W287 HydrophobicContact CG2-CG 3.51Å; I271-L303 HydrophobicContact CD1-CD2 3.86Å
272	N	81.9	Confident	80.1	Confident	106 Å²	106	31.7 Å²	31.7	57%	0.567	22%	0.217	S	C	*	.			trans	-72.7	112.2	168.8	-176	8.5	0	0	0	109.9	A274 N283	N272-A274 WeakPolarHBondContact OD1-CB 3.48Å; N272-A274 PolarHBondContact OD1-N 3.4Å; N272-N283 PolarHBondContact O-ND2 3.3Å
273	I	82.4	Confident	78.6	Confident	26 Å²	26	34.2 Å²	34.2	13%	0.133	23%	0.231	C	C	.	.			trans	-90.3	8.9	176.6	64.1	160.3	0	0	0	113.7	N269 I271 V280 K307	N269-I273 WeakPolarHBondContact ND2-CD1 3.25Å; I271-I273 HydrophobicContact CD1-CG2 4.39Å; I271-I273 HydrophobicContact CG1-CG2 3.92Å; I271-I273 PolarHBondContact O-N 3.34Å; I273-V280 HydrophobicContact CG2-CG1 4.39Å; I273-K307 VanDerWaalsContact O-CD 3.28Å; I273-K307 WeakPolarHBondContact O-CD 3.48Å; I273-K307 WeakPolarHBondContact O-CE 3.35Å; I273-K307 PolarHBondContact O-NZ 3.06Å
274	A	72.9	Confident	78.1	Confident	55 Å²	55	34.2 Å²	34.2	46%	0.455	23%	0.231	S	C	.	.			trans	-70	167.6	170	0	0	0	0	0	112	N272 V280	N272-A274 WeakPolarHBondContact OD1-CB 3.48Å; N272-A274 PolarHBondContact OD1-N 3.4Å; A274-V280 WeakPolarHBondContact O-CG2 3.17Å
275	G	67.3	Low	76.8	Confident	50 Å²	50	34.4 Å²	34.4	52%	0.515	23%	0.232	S	C	.	.	S	Bend	trans	87	-166.6	-179.5	0	0	0	0	0	114.6	D279 K307	G275-D279 WeakPolarHBondContact CA-OD2 3.3Å; G275-K307 PolarHBondContact O-NZ 2.83Å
276	G	63.5	Low	75.5	Confident	34 Å²	34	40.5 Å²	40.5	35%	0.351	26%	0.261	S	S	.	.			trans	-82.1	-174.3	173.8	0	0	0	0	0	113	D279 V280 F309	G276-D279 PolarHBondContact N-OD2 3.19Å; G276-D279 PolarHBondContact O-N 3.4Å; G276-V280 PolarHBondContact O-N 3.26Å; G276-F309 VanDerWaalsContact C-CD1 3.44Å; G276-F309 VanDerWaalsContact C-CE1 3.44Å; G276-F309 VanDerWaalsContact O-CE1 3.3Å; G276-F309 WeakPolarHBondContact O-CE1 3.46Å
277	A	61.1	Low	75.2	Confident	8 Å²	8	40.7 Å²	40.7	7%	0.066	26%	0.26	C	S	.	.	H	α-helix	trans	-64.1	-43.6	-178.5	0	0	0	0	0	112.3	D279 V280 L281 F309 T312 M315 I330	A277-D279 PolarHBondContact O-N 2.92Å; A277-V280 PolarHBondContact O-N 3.38Å; A277-L281 WeakPolarHBondContact O-CB 3.37Å; A277-L281 PolarHBondContact O-N 2.73Å; A277-F309 HydrophobicContact CB-CB 4.36Å; A277-F309 HydrophobicContact CB-CD1 4.09Å; A277-F309 HydrophobicContact CB-CD2 4.12Å; A277-F309 HydrophobicContact CB-CE1 4.31Å; A277-F309 HydrophobicContact CB-CE2 4.37Å; A277-F309 HydrophobicContact CB-CG 3.98Å; A277-F309 HydrophobicContact CB-CZ 4.46Å; A277-F309 VanDerWaalsContact N-CD1 3.33Å; A277-T312 HydrophobicContact CB-CG2 3.77Å; A277-M315 HydrophobicContact CB-CB 4.21Å; A277-M315 HydrophobicContact CB-CE 3.6Å; A277-M315 HydrophobicContact CB-SD 4.07Å; A277-I330 HydrophobicContact CB-CD1 4.16Å; A277-I330 WeakPolarHBondContact O-CD1 3.29Å
278	G	53.6	Low	75	Confident	39 Å²	39	37.4 Å²	37.4	40%	0.402	24%	0.243	S	C	.	.	H	α-helix	trans	-61.8	-37.8	178	0	0	0	0	0	113.9	V280 L281 G282 M315	G278-V280 VanDerWaalsContact C-N 3.35Å; G278-V280 PolarHBondContact O-N 3.27Å; G278-L281 PolarHBondContact O-N 3.21Å; G278-G282 PolarHBondContact O-N 3.4Å; G278-M315 VanDerWaalsContact CA-SD 3.5Å; G278-M315 PolarHBondContact N-SD 2.76Å; G278-M315 VanDerWaalsContact N-SD 3.43Å
279	D	58.1	Low	74.2	Confident	89 Å²	89	39.1 Å²	39.1	48%	0.476	24%	0.243	S	C	.	.	H	α-helix	trans	-60.9	-45.2	175.5	-59.4	-54.9	0	0	0	111.1	G275 G276 A277 N283	G275-D279 WeakPolarHBondContact CA-OD2 3.3Å; G276-D279 PolarHBondContact N-OD2 3.19Å; G276-D279 PolarHBondContact O-N 3.4Å; A277-D279 PolarHBondContact O-N 2.92Å; D279-N283 WeakPolarHBondContact O-CB 3.38Å; D279-N283 PolarHBondContact O-N 3.49Å; D279-N283 PolarHBondContact O-ND2 2.87Å
280	V	65.4	Low	73	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-73.2	-36.9	-178.7	-179.2	0	0	0	0	111.6	I271 I273 A274 G276 A277 G278 N283 F284 L303 L305 F309 I330	I271-V280 HydrophobicContact CD1-CG1 4.12Å; I273-V280 HydrophobicContact CG2-CG1 4.39Å; A274-V280 WeakPolarHBondContact O-CG2 3.17Å; G276-V280 PolarHBondContact O-N 3.26Å; A277-V280 PolarHBondContact O-N 3.38Å; G278-V280 VanDerWaalsContact C-N 3.35Å; G278-V280 PolarHBondContact O-N 3.27Å; V280-N283 PolarHBondContact O-N 3.08Å; V280-F284 VanDerWaalsContact O-CB 3.25Å; V280-F284 WeakPolarHBondContact O-CB 3.41Å; V280-F284 PolarHBondContact O-N 3.48Å; V280-L303 HydrophobicContact CG1-CD2 4.3Å; V280-L305 HydrophobicContact CG1-CD1 4.34Å; V280-F309 HydrophobicContact CB-CE1 4.18Å; V280-F309 HydrophobicContact CB-CZ 3.94Å; V280-F309 HydrophobicContact CG1-CZ 4.26Å; V280-F309 HydrophobicContact CG2-CE1 3.73Å; V280-F309 HydrophobicContact CG2-CZ 3.89Å; V280-I330 HydrophobicContact CB-CD1 3.98Å; V280-I330 HydrophobicContact CG1-CD1 4.14Å
281	L	75.6	Confident	72.5	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-62.6	-47.5	173.2	175.3	62.4	0	0	0	111.2	A277 G278 N283 F284 V285 M315 F317 I330	A277-L281 WeakPolarHBondContact O-CB 3.37Å; A277-L281 PolarHBondContact O-N 2.73Å; G278-L281 PolarHBondContact O-N 3.21Å; L281-N283 PolarHBondContact O-N 3.19Å; L281-F284 PolarHBondContact O-N 3.18Å; L281-V285 HydrophobicContact CD1-CG1 4.04Å; L281-V285 PolarHBondContact O-N 3.21Å; L281-M315 HydrophobicContact CD2-CB 4.29Å; L281-M315 HydrophobicContact CD2-CG 3.8Å; L281-M315 HydrophobicContact CD2-SD 3.95Å; L281-F317 HydrophobicContact CD1-CD2 4.31Å; L281-F317 HydrophobicContact CD1-CE2 4.21Å; L281-F317 HydrophobicContact CD2-CD2 3.96Å; L281-F317 HydrophobicContact CD2-CE2 3.8Å; L281-F317 HydrophobicContact CD2-CG 4.38Å; L281-F317 HydrophobicContact CD2-CZ 4.11Å; L281-F317 HydrophobicContact CG-CD2 4.12Å; L281-F317 HydrophobicContact CG-CE2 3.67Å; L281-F317 HydrophobicContact CG-CZ 4.21Å; L281-I330 HydrophobicContact CB-CD1 4.24Å; L281-I330 HydrophobicContact CB-CG1 4.38Å; L281-I330 HydrophobicContact CB-CG2 4.14Å; L281-I330 HydrophobicContact CD1-CG2 4.04Å
282	G	57.7	Low	72.3	Confident	17 Å²	17	43.8 Å²	43.8	18%	0.175	26%	0.258	C	S	.	.	H	α-helix	trans	-59.1	-47.1	176.1	0	0	0	0	0	112.4	G278 F284 Q286	G278-G282 PolarHBondContact O-N 3.4Å; G282-F284 VanDerWaalsContact C-N 3.31Å; G282-F284 PolarHBondContact O-N 3.32Å; G282-Q286 VanDerWaalsContact O-CG 3.28Å; G282-Q286 WeakPolarHBondContact O-CG 3.28Å; G282-Q286 PolarHBondContact O-N 2.93Å
283	N	64.5	Low	71.9	Confident	53 Å²	53	40.7 Å²	40.7	28%	0.283	24%	0.241	S	C	.	.	H	α-helix	trans	-61.8	-38.4	175.5	-68.9	-23.6	0	0	0	112.1	I271 N272 D279 V280 L281 W287	I271-N283 HydrophobicContact CB-CB 4.23Å; I271-N283 HydrophobicContact CD1-CB 4.37Å; N272-N283 PolarHBondContact O-ND2 3.3Å; D279-N283 WeakPolarHBondContact O-CB 3.38Å; D279-N283 PolarHBondContact O-N 3.49Å; D279-N283 PolarHBondContact O-ND2 2.87Å; V280-N283 PolarHBondContact O-N 3.08Å; L281-N283 PolarHBondContact O-N 3.19Å; N283-W287 WeakPolarHBondContact O-CB 3.2Å; N283-W287 PolarHBondContact O-N 3.06Å; N283-W287 VanDerWaalsContact O-N 3.12Å
284	F	86.3	Confident	71.5	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68	-47.3	179.8	177.5	-120.7	0	0	0	112.6	V219 I271 V280 L281 G282 W287 R288 A301 L303 G329 I330	V219-F284 HydrophobicContact CB-CE2 4.05Å; V219-F284 HydrophobicContact CB-CZ 4.35Å; V219-F284 HydrophobicContact CG1-CE2 4.42Å; V219-F284 HydrophobicContact CG2-CE2 3.95Å; V219-F284 HydrophobicContact CG2-CZ 4.1Å; I271-F284 HydrophobicContact CD1-CB 3.77Å; I271-F284 HydrophobicContact CD1-CD2 4.41Å; V280-F284 VanDerWaalsContact O-CB 3.25Å; V280-F284 WeakPolarHBondContact O-CB 3.41Å; V280-F284 PolarHBondContact O-N 3.48Å; L281-F284 PolarHBondContact O-N 3.18Å; G282-F284 VanDerWaalsContact C-N 3.31Å; G282-F284 PolarHBondContact O-N 3.32Å; F284-W287 AromaticContact CD2-CE3 3.99Å; F284-W287 HydrophobicContact CD2-CE3 3.99Å; F284-W287 HydrophobicContact CD2-CZ3 4.34Å; F284-W287 AromaticContact CE2-CE3 3.95Å; F284-W287 HydrophobicContact CE2-CE3 3.95Å; F284-W287 AromaticContact CE2-CZ3 3.84Å; F284-W287 HydrophobicContact CE2-CZ3 3.84Å; F284-W287 PolarHBondContact O-N 3.18Å; F284-R288 WeakPolarHBondContact O-CB 3.45Å; F284-R288 PolarHBondContact O-N 2.73Å; F284-A301 HydrophobicContact CE1-CB 4.12Å; F284-A301 WeakPolarHBondContact CE1-O 3.15Å; F284-A301 HydrophobicContact CZ-CB 3.77Å; F284-L303 HydrophobicContact CB-CD2 4.3Å; F284-L303 HydrophobicContact CD1-CB 3.94Å; F284-L303 HydrophobicContact CD2-CB 3.94Å; F284-L303 HydrophobicContact CD2-CD1 4.29Å; F284-L303 HydrophobicContact CD2-CD2 4.03Å; F284-L303 HydrophobicContact CD2-CG 4.31Å; F284-L303 HydrophobicContact CE1-CB 3.8Å; F284-L303 HydrophobicContact CE2-CB 3.81Å; F284-L303 HydrophobicContact CE2-CD1 4.15Å; F284-L303 HydrophobicContact CE2-CG 4.4Å; F284-L303 HydrophobicContact CG-CB 4.01Å; F284-L303 HydrophobicContact CG-CD2 4.12Å; F284-L303 HydrophobicContact CZ-CB 3.74Å; F284-G329 WeakPolarHBondContact CE1-O 3.29Å; F284-I330 HydrophobicContact CB-CG2 4.21Å; F284-I330 HydrophobicContact CD1-CG2 4.09Å; F284-I330 HydrophobicContact CG-CG2 4.39Å
285	V	71.4	Confident	71.7	Confident	5 Å²	5	44.1 Å²	44.1	3%	0.03	25%	0.251	C	S	.	.	H	α-helix	trans	-70.1	-34.4	-178.4	-58.3	0	0	0	0	112.6	L281 R288 E289 F317 S325	L281-V285 HydrophobicContact CD1-CG1 4.04Å; L281-V285 PolarHBondContact O-N 3.21Å; V285-R288 WeakPolarHBondContact O-CB 3.48Å; V285-R288 PolarHBondContact O-N 3.4Å; V285-E289 WeakPolarHBondContact O-CB 3.43Å; V285-E289 PolarHBondContact O-N 2.91Å; V285-F317 HydrophobicContact CG1-CD2 4.32Å; V285-F317 HydrophobicContact CG1-CE2 4.12Å; V285-F317 HydrophobicContact CG2-CE2 3.85Å; V285-S325 WeakPolarHBondContact CB-O 3.16Å; V285-S325 VanDerWaalsContact CG2-O 3.26Å; V285-S325 WeakPolarHBondContact CG2-O 3.25Å
286	Q	68.3	Low	72.2	Confident	128 Å²	128	41.9 Å²	41.9	60%	0.598	23%	0.226	S	C	*	.	H	α-helix	trans	-63.6	-42	171.8	-71.2	174.9	22.7	0	0	112	G282 K290	G282-Q286 VanDerWaalsContact O-CG 3.28Å; G282-Q286 WeakPolarHBondContact O-CG 3.28Å; G282-Q286 PolarHBondContact O-N 2.93Å; Q286-K290 WeakPolarHBondContact O-CB 3.38Å; Q286-K290 PolarHBondContact O-N 3.15Å
287	W	89.9	Confident	72.9	Confident	14 Å²	14	46 Å²	46	5%	0.053	23%	0.232	C	C	.	.	H	α-helix	trans	-65.6	-41.9	174.8	170.3	93.6	0	0	0	111.7	V219 E263 W265 L270 I271 N283 F284 E289 K290 F291 L292	V219-W287 HydrophobicContact CG1-CH2 4.43Å; V219-W287 HydrophobicContact CG2-CH2 4.32Å; V219-W287 HydrophobicContact CG2-CZ3 4.12Å; E263-W287 WeakPolarHBondContact OE1-CH2 3.4Å; E263-W287 WeakPolarHBondContact OE1-CZ2 3.46Å; W265-W287 HydrophobicContact CZ2-CD2 4.13Å; W265-W287 AromaticContact CZ2-CE2 3.97Å; W265-W287 HydrophobicContact CZ2-CE3 4.16Å; W265-W287 AromaticContact CZ2-CH2 3.96Å; W265-W287 HydrophobicContact CZ2-CH2 3.96Å; W265-W287 AromaticContact CZ2-CZ2 3.92Å; W265-W287 HydrophobicContact CZ2-CZ2 3.92Å; W265-W287 HydrophobicContact CZ2-CZ3 4.07Å; W265-W287 AromaticContact NE1-CZ2 3.97Å; L270-W287 HydrophobicContact CD1-CZ2 3.87Å; I271-W287 HydrophobicContact CG2-CB 3.39Å; I271-W287 HydrophobicContact CG2-CD2 4.19Å; I271-W287 HydrophobicContact CG2-CG 3.51Å; N283-W287 WeakPolarHBondContact O-CB 3.2Å; N283-W287 PolarHBondContact O-N 3.06Å; N283-W287 VanDerWaalsContact O-N 3.12Å; F284-W287 AromaticContact CD2-CE3 3.99Å; F284-W287 HydrophobicContact CD2-CE3 3.99Å; F284-W287 HydrophobicContact CD2-CZ3 4.34Å; F284-W287 AromaticContact CE2-CE3 3.95Å; F284-W287 HydrophobicContact CE2-CE3 3.95Å; F284-W287 AromaticContact CE2-CZ3 3.84Å; F284-W287 HydrophobicContact CE2-CZ3 3.84Å; F284-W287 PolarHBondContact O-N 3.18Å; W287-E289 PolarHBondContact O-N 2.85Å; W287-K290 PolarHBondContact O-N 2.82Å; W287-F291 AromaticContact CD1-CD2 3.49Å; W287-F291 VanDerWaalsContact CD1-CD2 3.49Å; W287-F291 HydrophobicContact CG-CD2 4.1Å; W287-F291 AromaticContact NE1-CD2 3.84Å; W287-F291 WeakPolarHBondContact O-CB 3.42Å; W287-F291 PolarHBondContact O-N 3.44Å; W287-L292 HydrophobicContact CH2-CB 3.92Å; W287-L292 HydrophobicContact CH2-CD1 4.08Å; W287-L292 HydrophobicContact CH2-CD2 4.11Å; W287-L292 HydrophobicContact CH2-CG 4.25Å; W287-L292 HydrophobicContact CZ3-CB 3.88Å; W287-L292 HydrophobicContact CZ3-CD2 3.84Å; W287-L292 HydrophobicContact CZ3-CG 4.32Å
288	R	87.3	Confident	74.1	Confident	3 Å²	3	46 Å²	46	1%	0.011	23%	0.23	C	C	.	.	I	π-helix	trans	-56.5	-51.8	175.3	175.1	-161.8	173.6	-122.8	4.8	111	F284 V285 K290 L292 I293 H298 D299 A301 S323 R324 A327	F284-R288 WeakPolarHBondContact O-CB 3.45Å; F284-R288 PolarHBondContact O-N 2.73Å; V285-R288 WeakPolarHBondContact O-CB 3.48Å; V285-R288 PolarHBondContact O-N 3.4Å; R288-K290 VanDerWaalsContact C-N 3.31Å; R288-K290 PolarHBondContact O-N 3.33Å; R288-L292 HydrophobicContact CB-CB 4.5Å; R288-L292 HydrophobicContact CG-CB 4.29Å; R288-L292 HydrophobicContact CG-CD2 4.37Å; R288-L292 PolarHBondContact O-N 3.03Å; R288-I293 HydrophobicContact CG-CD1 4.28Å; R288-I293 HydrophobicContact CG-CG1 4.08Å; R288-I293 PolarHBondContact O-N 3.11Å; R288-H298 PolarHBondContact NE-NE2 3.43Å; R288-H298 PolarHBondContact NH2-O 2.78Å; R288-D299 PolarHBondContact NH2-O 2.9Å; R288-A301 HydrophobicContact CG-CB 4.18Å; R288-S323 PolarHBondContact NH1-O 3.49Å; R288-R324 PolarHBondContact NH1-O 3.29Å; R288-A327 WeakPolarHBondContact CD-O 2.95Å; R288-A327 PolarHBondContact NE-O 2.92Å; R288-A327 PolarHBondContact NH1-O 2.79Å
289	E	75.9	Confident	75.6	Confident	63 Å²	63	44.5 Å²	44.5	29%	0.294	21%	0.213	S	C	.	.	I	π-helix	trans	-59.4	-40.8	-178.5	170.8	156.9	-122.7	0	0	113.1	V285 W287 R324 S325	V285-E289 WeakPolarHBondContact O-CB 3.43Å; V285-E289 PolarHBondContact O-N 2.91Å; W287-E289 PolarHBondContact O-N 2.85Å; E289-R324 HydrophobicContact CG-CG 4.07Å; E289-R324 WeakPolarHBondContact OE1-CD 3.36Å; E289-R324 WeakPolarHBondContact OE1-CG 3.4Å; E289-R324 IonicContact OE1-NE 3.12Å; E289-S325 WeakPolarHBondContact OE1-CB 3.19Å; E289-S325 WeakPolarHBondContact OE2-CA 3.12Å; E289-S325 WeakPolarHBondContact OE2-CB 3.12Å
290	K	69.6	Low	77.3	Confident	140 Å²	140	40.2 Å²	40.2	61%	0.609	19%	0.19	S	C	*	.	I	π-helix	trans	-81.5	-38.2	-176.1	-173.8	168.1	-179.6	170.2	0	113.4	Q286 W287 R288 T294	Q286-K290 WeakPolarHBondContact O-CB 3.38Å; Q286-K290 PolarHBondContact O-N 3.15Å; W287-K290 PolarHBondContact O-N 2.82Å; R288-K290 VanDerWaalsContact C-N 3.31Å; R288-K290 PolarHBondContact O-N 3.33Å; K290-T294 PolarHBondContact O-OG1 2.91Å; K290-T294 VanDerWaalsContact O-OG1 3.09Å
291	F	81.4	Confident	78.8	Confident	89 Å²	89	40.2 Å²	40.2	39%	0.39	19%	0.19	S	C	.	.	I	π-helix	trans	-124.8	-25.6	-166	-60.8	-69.2	0	0	0	116	W287 T294 R295	W287-F291 AromaticContact CD1-CD2 3.49Å; W287-F291 VanDerWaalsContact CD1-CD2 3.49Å; W287-F291 HydrophobicContact CG-CD2 4.1Å; W287-F291 AromaticContact NE1-CD2 3.84Å; W287-F291 WeakPolarHBondContact O-CB 3.42Å; W287-F291 PolarHBondContact O-N 3.44Å; F291-T294 WeakPolarHBondContact CA-OG1 3.34Å; F291-T294 PolarHBondContact O-OG1 2.89Å; F291-R295 VanDerWaalsContact O-CD 3.24Å; F291-R295 WeakPolarHBondContact O-CD 3.5Å; F291-R295 VanDerWaalsContact O-CG 3.24Å; F291-R295 WeakPolarHBondContact O-CG 3.19Å; F291-R295 PolarHBondContact O-NE 2.77Å
292	L	83.8	Confident	79.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.19	C	C	.	.	I	π-helix	trans	-95.1	-47.3	-175.5	-171.3	61.4	0	0	0	112	F217 V219 W287 R288 T294 R295 R296 A301	F217-L292 HydrophobicContact CB-CD2 4.49Å; F217-L292 HydrophobicContact CD1-CD1 4.2Å; F217-L292 HydrophobicContact CD1-CD2 3.65Å; F217-L292 HydrophobicContact CD1-CG 4.39Å; F217-L292 HydrophobicContact CD2-CD1 4.49Å; F217-L292 HydrophobicContact CE1-CD1 3.78Å; F217-L292 HydrophobicContact CE1-CD2 4.03Å; F217-L292 HydrophobicContact CE1-CG 4.45Å; F217-L292 HydrophobicContact CE2-CD1 4.08Å; F217-L292 HydrophobicContact CG-CD2 3.98Å; F217-L292 HydrophobicContact CZ-CD1 3.73Å; V219-L292 HydrophobicContact CG2-CD2 3.92Å; W287-L292 HydrophobicContact CH2-CB 3.92Å; W287-L292 HydrophobicContact CH2-CD1 4.08Å; W287-L292 HydrophobicContact CH2-CD2 4.11Å; W287-L292 HydrophobicContact CH2-CG 4.25Å; W287-L292 HydrophobicContact CZ3-CB 3.88Å; W287-L292 HydrophobicContact CZ3-CD2 3.84Å; W287-L292 HydrophobicContact CZ3-CG 4.32Å; R288-L292 HydrophobicContact CB-CB 4.5Å; R288-L292 HydrophobicContact CG-CB 4.29Å; R288-L292 HydrophobicContact CG-CD2 4.37Å; R288-L292 PolarHBondContact O-N 3.03Å; L292-T294 PolarHBondContact O-N 2.91Å; L292-R295 WeakPolarHBondContact O-CB 3.37Å; L292-R295 PolarHBondContact O-N 3.24Å; L292-R296 PolarHBondContact O-N 2.99Å; L292-A301 HydrophobicContact CD2-CB 4.12Å
293	I	74.4	Confident	81.8	Confident	40 Å²	40	39.4 Å²	39.4	21%	0.205	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.8	177.3	-63.2	177.1	0	0	0	111.2	R288 R295 R324	R288-I293 HydrophobicContact CG-CD1 4.28Å; R288-I293 HydrophobicContact CG-CG1 4.08Å; R288-I293 PolarHBondContact O-N 3.11Å; I293-R295 VanDerWaalsContact C-N 3.31Å; I293-R324 HydrophobicContact CD1-CB 4.42Å; I293-R324 HydrophobicContact CD1-CG 3.69Å; I293-R324 VanDerWaalsContact CD1-O 3.24Å; I293-R324 WeakPolarHBondContact CD1-O 3.14Å
294	T	73.1	Confident	83.4	Confident	92 Å²	92	36.9 Å²	36.9	56%	0.564	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-8.2	176.3	46.6	0	0	0	0	114.2	K290 F291 L292	K290-T294 PolarHBondContact O-OG1 2.91Å; K290-T294 VanDerWaalsContact O-OG1 3.09Å; F291-T294 WeakPolarHBondContact CA-OG1 3.34Å; F291-T294 PolarHBondContact O-OG1 2.89Å; L292-T294 PolarHBondContact O-N 2.91Å
295	R	78.2	Confident	83.8	Confident	62 Å²	62	36.9 Å²	36.9	23%	0.234	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-45.7	171.5	-65	168.6	-164.9	169	5.4	111.9	Y95 Y97 E263 F291 L292 I293 Y412	Y95-R295 HydrophobicContact CE2-CB 3.89Å; Y95-R295 PolarHBondContact OH-O 2.75Å; Y97-R295 PolarHBondContact OH-NH1 3.14Å; E263-R295 IonicContact OE1-NH1 3.4Å; E263-R295 PolarHBondContact OE1-NH1 2.87Å; E263-R295 IonicContact OE2-CZ 3.98Å; E263-R295 IonicContact OE2-NH1 2.73Å; E263-R295 PolarHBondContact OE2-NH1 2.72Å; F291-R295 VanDerWaalsContact O-CD 3.24Å; F291-R295 WeakPolarHBondContact O-CD 3.5Å; F291-R295 VanDerWaalsContact O-CG 3.24Å; F291-R295 WeakPolarHBondContact O-CG 3.19Å; F291-R295 PolarHBondContact O-NE 2.77Å; L292-R295 WeakPolarHBondContact O-CB 3.37Å; L292-R295 PolarHBondContact O-N 3.24Å; I293-R295 VanDerWaalsContact C-N 3.31Å; R295-Y412 PolarHBondContact O-OH 2.73Å
296	R	78.2	Confident	84.7	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.008	19%	0.187	C	C	.	.	S	Bend	trans	-147.7	124.9	-173.8	-174.8	72.9	164.3	172.2	5.8	109.2	D91 V93 Y95 F217 V260 L292 H298 A411 Y412	D91-R296 VanDerWaalsContact CG-NH1 3.28Å; D91-R296 PolarHBondContact O-NH1 2.85Å; D91-R296 PolarHBondContact O-NH2 2.8Å; D91-R296 IonicContact OD1-CZ 3.76Å; D91-R296 IonicContact OD1-NH1 3.12Å; D91-R296 IonicContact OD1-NH2 3.33Å; D91-R296 PolarHBondContact OD1-NH2 3.08Å; D91-R296 IonicContact OD2-CZ 2.95Å; D91-R296 IonicContact OD2-NH1 2.67Å; D91-R296 PolarHBondContact OD2-NH1 2.88Å; D91-R296 IonicContact OD2-NH2 3.69Å; D91-R296 PolarHBondContact OD2-NH2 2.91Å; V93-R296 HydrophobicContact CG1-CB 4.31Å; V93-R296 HydrophobicContact CG1-CG 3.85Å; Y95-R296 HydrophobicContact CE2-CB 4.22Å; F217-R296 HydrophobicContact CD2-CB 4.31Å; F217-R296 HydrophobicContact CD2-CG 4.07Å; F217-R296 HydrophobicContact CE2-CB 3.93Å; F217-R296 HydrophobicContact CE2-CG 3.89Å; V260-R296 VanDerWaalsContact O-CZ 3.24Å; V260-R296 PolarHBondContact O-NE 3.16Å; V260-R296 PolarHBondContact O-NH2 2.86Å; L292-R296 PolarHBondContact O-N 2.99Å; R296-H298 PolarHBondContact O-ND1 3.22Å; R296-A411 PolarHBondContact NH1-O 3Å; R296-Y412 VanDerWaalsContact NH1-N 3.17Å
297	R	77	Confident	85.3	Confident	121 Å²	121	37.7 Å²	37.7	46%	0.457	17%	0.169	S	C	.	.			trans	-66	142.5	172.4	179.2	177.2	161.1	165.3	-6.6	110.7	E215	E215-R297 IonicContact OE2-NE 3.81Å
298	H	87.3	Confident	84.5	Confident	9 Å²	9	39.1 Å²	39.1	4%	0.042	19%	0.188	C	C	.	.			trans	-170	150.8	178.1	58	-79.1	0	0	0	111	E215 F217 V260 R288 R296	E215-H298 HydrophobicContact CB-CB 4.37Å; E215-H298 WeakPolarHBondContact O-CB 3.31Å; E215-H298 WeakPolarHBondContact OE2-CA 3.45Å; F217-H298 HydrophobicContact CB-CB 3.9Å; V260-H298 HydrophobicContact CG2-CB 3.7Å; R288-H298 PolarHBondContact NE-NE2 3.43Å; R288-H298 PolarHBondContact NH2-O 2.78Å; R296-H298 PolarHBondContact O-ND1 3.22Å
299	D	85.1	Confident	83.6	Confident	6 Å²	6	40.5 Å²	40.5	3%	0.032	20%	0.195	C	C	.	.	S	Bend	trans	-78.7	-39.3	-173.1	-64.8	-31.8	0	0	0	113.2	V214 E215 R288 V321 C322 A327 C401 L402	V214-D299 HydrophobicContact CG1-CB 4.41Å; E215-D299 HydrophobicContact CB-CB 4.18Å; E215-D299 WeakPolarHBondContact CB-OD2 3.36Å; E215-D299 PolarHBondContact N-OD2 2.79Å; E215-D299 PolarHBondContact O-N 3Å; R288-D299 PolarHBondContact NH2-O 2.9Å; D299-V321 HydrophobicContact CB-CG2 4.35Å; D299-C322 PolarHBondContact O-N 2.91Å; D299-A327 WeakPolarHBondContact O-CB 3.5Å; D299-C401 WeakPolarHBondContact OD1-CB 3.2Å; D299-C401 PolarHBondContact OD1-SG 3.27Å; D299-L402 HydrophobicContact CB-CD2 4.22Å
300	S	93.7	Very high	82.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	144.8	175.8	174	0	0	0	0	110.2	E215 F217 Q302 A327 N352	E215-S300 PolarHBondContact O-N 3.15Å; F217-S300 PolarHBondContact N-O 3.3Å; S300-Q302 PolarHBondContact OG-NE2 3.16Å; S300-A327 WeakPolarHBondContact CA-O 3.19Å; S300-N352 PolarHBondContact OG-OD1 3.22Å
301	A	96.7	Very high	82.5	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	141.8	172	0	0	0	0	0	111.4	F217 F284 R288 L292 A327 G328 G329	F217-A301 HydrophobicContact CB-CB 4.29Å; F217-A301 CarbonylContact O-C 3.5Å; F217-A301 VanDerWaalsContact O-CA 3.26Å; F217-A301 WeakPolarHBondContact O-CA 3.15Å; F284-A301 HydrophobicContact CE1-CB 4.12Å; F284-A301 WeakPolarHBondContact CE1-O 3.15Å; F284-A301 HydrophobicContact CZ-CB 3.77Å; R288-A301 HydrophobicContact CG-CB 4.18Å; L292-A301 HydrophobicContact CD2-CB 4.12Å; A301-A327 PolarHBondContact N-O 2.75Å; A301-G328 CarbonylContact O-C 3.26Å; A301-G328 WeakPolarHBondContact O-CA 3.41Å; A301-G329 PolarHBondContact O-N 3.5Å; A301-G329 VanDerWaalsContact O-N 3.07Å
302	Q	98.3	Very high	81.9	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	116.7	177.8	-64.3	-61.7	-36.5	0	0	110.1	L216 F217 V219 S300 G329 N331 V345 N352	L216-Q302 HydrophobicContact CD1-CB 4.26Å; L216-Q302 HydrophobicContact CD1-CG 3.67Å; F217-Q302 PolarHBondContact O-N 3.47Å; V219-Q302 PolarHBondContact N-O 3.04Å; S300-Q302 PolarHBondContact OG-NE2 3.16Å; Q302-G329 WeakPolarHBondContact CA-O 3.3Å; Q302-G329 VanDerWaalsContact OE1-CA 3.27Å; Q302-G329 PolarHBondContact OE1-O 3.49Å; Q302-N331 PolarHBondContact OE1-ND2 2.95Å; Q302-V345 HydrophobicContact CB-CG1 4.18Å; Q302-V345 HydrophobicContact CG-CG1 4.05Å; Q302-N352 PolarHBondContact NE2-OD1 2.92Å
303	L	98.3	Very high	81.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	128.3	172.3	-175.6	63.6	0	0	0	109.3	V219 W265 I271 V280 F284 L305 G329 I330 N331	V219-L303 HydrophobicContact CB-CD1 3.93Å; V219-L303 HydrophobicContact CG1-CD1 3.79Å; V219-L303 CarbonylContact O-C 3.53Å; V219-L303 WeakPolarHBondContact O-CA 3.34Å; W265-L303 HydrophobicContact CH2-CD1 3.99Å; W265-L303 HydrophobicContact CZ3-CD1 3.93Å; I271-L303 HydrophobicContact CD1-CD2 3.86Å; V280-L303 HydrophobicContact CG1-CD2 4.3Å; F284-L303 HydrophobicContact CB-CD2 4.3Å; F284-L303 HydrophobicContact CD1-CB 3.94Å; F284-L303 HydrophobicContact CD2-CB 3.94Å; F284-L303 HydrophobicContact CD2-CD1 4.29Å; F284-L303 HydrophobicContact CD2-CD2 4.03Å; F284-L303 HydrophobicContact CD2-CG 4.31Å; F284-L303 HydrophobicContact CE1-CB 3.8Å; F284-L303 HydrophobicContact CE2-CB 3.81Å; F284-L303 HydrophobicContact CE2-CD1 4.15Å; F284-L303 HydrophobicContact CE2-CG 4.4Å; F284-L303 HydrophobicContact CG-CB 4.01Å; F284-L303 HydrophobicContact CG-CD2 4.12Å; F284-L303 HydrophobicContact CZ-CB 3.74Å; L303-L305 HydrophobicContact CB-CD2 4.37Å; L303-L305 HydrophobicContact CD2-CD2 4.1Å; L303-L305 HydrophobicContact CG-CB 4.48Å; L303-L305 HydrophobicContact CG-CD2 3.93Å; L303-G329 PolarHBondContact N-O 2.93Å; L303-I330 HydrophobicContact CB-CB 4.39Å; L303-I330 HydrophobicContact CB-CG2 4.06Å; L303-I330 HydrophobicContact CD2-CG2 4.11Å; L303-I330 CarbonylContact O-C 3.48Å; L303-N331 WeakPolarHBondContact O-CB 3.38Å; L303-N331 PolarHBondContact O-N 2.86Å; L303-N331 PolarHBondContact O-ND2 2.73Å
304	V	98	Very high	81.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	113.6	174.9	175.2	0	0	0	0	107	I218 V219 V220 D221 M239 F333 F341	I218-V304 HydrophobicContact CG2-CG2 3.85Å; V219-V304 PolarHBondContact O-N 2.98Å; V220-V304 WeakPolarHBondContact CA-O 3.3Å; V220-V304 HydrophobicContact CG2-CB 4.3Å; D221-V304 PolarHBondContact N-O 2.93Å; M239-V304 HydrophobicContact SD-CB 4.46Å; M239-V304 HydrophobicContact SD-CG1 4.27Å; M239-V304 HydrophobicContact SD-CG2 4.02Å; V304-F333 HydrophobicContact CG1-CB 3.93Å; V304-F333 HydrophobicContact CG1-CD1 3.86Å; V304-F333 HydrophobicContact CG1-CG 4.43Å; V304-F341 HydrophobicContact CB-CE1 4.42Å; V304-F341 HydrophobicContact CB-CZ 4.24Å; V304-F341 HydrophobicContact CG1-CE1 3.79Å; V304-F341 HydrophobicContact CG1-CZ 3.75Å; V304-F341 HydrophobicContact CG2-CE1 3.87Å; V304-F341 HydrophobicContact CG2-CZ 3.9Å
305	L	93.7	Very high	82.1	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145.7	-171.7	62.2	156.1	0	0	0	113.5	D221 V280 L303 K307 F309 I330 N331 V332 F333	D221-L305 HydrophobicContact CB-CB 4.05Å; D221-L305 VanDerWaalsContact CG-CA 3.44Å; D221-L305 VanDerWaalsContact OD2-CA 3.27Å; D221-L305 WeakPolarHBondContact OD2-CA 3.42Å; D221-L305 VanDerWaalsContact OD2-CB 3.23Å; D221-L305 WeakPolarHBondContact OD2-CB 3.17Å; V280-L305 HydrophobicContact CG1-CD1 4.34Å; L303-L305 HydrophobicContact CB-CD2 4.37Å; L303-L305 HydrophobicContact CD2-CD2 4.1Å; L303-L305 HydrophobicContact CG-CB 4.48Å; L303-L305 HydrophobicContact CG-CD2 3.93Å; L305-K307 HydrophobicContact CD1-CB 4.37Å; L305-F309 HydrophobicContact CD1-CE2 3.72Å; L305-F309 HydrophobicContact CD1-CZ 3.72Å; L305-I330 HydrophobicContact CD2-CB 3.79Å; L305-N331 VanDerWaalsContact CD2-N 3.3Å; L305-N331 VanDerWaalsContact CD2-O 3.29Å; L305-N331 WeakPolarHBondContact CD2-O 3.28Å; L305-N331 PolarHBondContact N-O 3.24Å; L305-V332 CarbonylContact O-C 3.53Å; L305-V332 WeakPolarHBondContact O-CA 3.23Å; L305-F333 PolarHBondContact O-N 3.13Å
306	K	90.5	Very high	82.2	Confident	99 Å²	99	25.8 Å²	25.8	43%	0.43	16%	0.16	S	C	.	.	S	Bend	trans	-78	-27	179.4	-175.6	-91.1	170.9	-177.9	0	112.5	D221 E223 R224 M227 G308	D221-K306 PolarHBondContact OD1-N 2.97Å; D221-K306 PolarHBondContact OD2-N 3.24Å; E223-K306 HydrophobicContact CB-CB 3.58Å; E223-K306 HydrophobicContact CB-CD 4Å; E223-K306 HydrophobicContact CB-CG 3.98Å; R224-K306 HydrophobicContact CB-CB 4.39Å; M227-K306 HydrophobicContact CG-CG 4.43Å; M227-K306 HydrophobicContact SD-CD 4.15Å; M227-K306 HydrophobicContact SD-CG 3.45Å; M227-K306 WeakPolarHBondContact SD-CG 3.49Å; K306-G308 PolarHBondContact O-N 2.83Å
307	K	82.1	Confident	81.6	Confident	52 Å²	52	27.2 Å²	27.2	23%	0.226	17%	0.166	C	C	.	.			trans	-73.5	118	-177.1	-178.9	-154.8	167.8	-157.4	0	110.7	I273 G275 L305 F309	I273-K307 VanDerWaalsContact O-CD 3.28Å; I273-K307 WeakPolarHBondContact O-CD 3.48Å; I273-K307 WeakPolarHBondContact O-CE 3.35Å; I273-K307 PolarHBondContact O-NZ 3.06Å; G275-K307 PolarHBondContact O-NZ 2.83Å; L305-K307 HydrophobicContact CD1-CB 4.37Å; K307-F309 HydrophobicContact CD-CE1 4.22Å; K307-F309 HydrophobicContact CD-CZ 4.45Å
308	G	71.9	Confident	81.5	Confident	44 Å²	44	23.2 Å²	23.2	45%	0.454	16%	0.155	S	C	.	.			trans	-84	159.6	169.4	0	0	0	0	0	113.9	K306	K306-G308 PolarHBondContact O-N 2.83Å
309	F	68.9	Low	80.7	Confident	32 Å²	32	24.1 Å²	24.1	14%	0.14	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-120.2	45.6	-175.1	-57.9	-89.2	0	0	0	112.6	G276 A277 V280 L305 K307 G311 T312 I330 V332	G276-F309 VanDerWaalsContact C-CD1 3.44Å; G276-F309 VanDerWaalsContact C-CE1 3.44Å; G276-F309 VanDerWaalsContact O-CE1 3.3Å; G276-F309 WeakPolarHBondContact O-CE1 3.46Å; A277-F309 HydrophobicContact CB-CB 4.36Å; A277-F309 HydrophobicContact CB-CD1 4.09Å; A277-F309 HydrophobicContact CB-CD2 4.12Å; A277-F309 HydrophobicContact CB-CE1 4.31Å; A277-F309 HydrophobicContact CB-CE2 4.37Å; A277-F309 HydrophobicContact CB-CG 3.98Å; A277-F309 HydrophobicContact CB-CZ 4.46Å; A277-F309 VanDerWaalsContact N-CD1 3.33Å; V280-F309 HydrophobicContact CB-CE1 4.18Å; V280-F309 HydrophobicContact CB-CZ 3.94Å; V280-F309 HydrophobicContact CG1-CZ 4.26Å; V280-F309 HydrophobicContact CG2-CE1 3.73Å; V280-F309 HydrophobicContact CG2-CZ 3.89Å; L305-F309 HydrophobicContact CD1-CE2 3.72Å; L305-F309 HydrophobicContact CD1-CZ 3.72Å; K307-F309 HydrophobicContact CD-CE1 4.22Å; K307-F309 HydrophobicContact CD-CZ 4.45Å; F309-G311 VanDerWaalsContact C-N 3.34Å; F309-G311 PolarHBondContact O-N 2.77Å; F309-T312 HydrophobicContact CB-CG2 4.21Å; F309-T312 HydrophobicContact CD2-CG2 4.42Å; F309-I330 HydrophobicContact CE2-CD1 3.79Å; F309-I330 HydrophobicContact CZ-CD1 3.71Å; F309-V332 HydrophobicContact CD2-CG2 3.69Å; F309-V332 HydrophobicContact CE2-CG2 3.91Å
310	G	58	Low	80	Confident	92 Å²	92	25.1 Å²	25.1	95%	0.948	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.7	21.3	172.6	0	0	0	0	0	116
311	G	63.4	Low	78.9	Confident	30 Å²	30	25.6 Å²	25.6	31%	0.309	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	130.5	-25.6	-179.1	0	0	0	0	0	113	L173 K174 F309 A313	L173-G311 CarbonylContact C-O 3.57Å; L173-G311 VanDerWaalsContact CA-O 3.31Å; L173-G311 WeakPolarHBondContact CA-O 3.23Å; K174-G311 PolarHBondContact N-O 2.74Å; F309-G311 VanDerWaalsContact C-N 3.34Å; F309-G311 PolarHBondContact O-N 2.77Å; G311-A313 PolarHBondContact O-N 2.9Å
312	T	69.4	Low	77.3	Confident	33 Å²	33	28 Å²	28	20%	0.202	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-67.4	123.9	171.6	-74.4	0	0	0	0	111.8	K174 G176 A277 F309 G314	K174-T312 CarbonylContact O-C 3.48Å; K174-T312 WeakPolarHBondContact O-CA 3.09Å; G176-T312 VanDerWaalsContact CA-CG2 3.45Å; A277-T312 HydrophobicContact CB-CG2 3.77Å; F309-T312 HydrophobicContact CB-CG2 4.21Å; F309-T312 HydrophobicContact CD2-CG2 4.42Å; T312-G314 VanDerWaalsContact CG2-O 3.28Å; T312-G314 WeakPolarHBondContact CG2-O 3.24Å
313	A	76.3	Confident	75.7	Confident	2 Å²	2	29.8 Å²	29.8	2%	0.017	21%	0.205	C	C	.	.			trans	-85.2	-32.6	-179.9	0	0	0	0	0	113.1	L173 K174 G311 V332 I344	L173-A313 HydrophobicContact CB-CB 4.05Å; K174-A313 VanDerWaalsContact O-CB 3.29Å; K174-A313 WeakPolarHBondContact O-CB 3.24Å; K174-A313 PolarHBondContact O-N 3.5Å; G311-A313 PolarHBondContact O-N 2.9Å; A313-V332 VanDerWaalsContact O-CB 3.27Å; A313-V332 WeakPolarHBondContact O-CB 3.31Å; A313-V332 WeakPolarHBondContact O-CG2 3.41Å; A313-V332 PolarHBondContact O-N 3.3Å; A313-I344 HydrophobicContact CB-CD1 4.03Å; A313-I344 HydrophobicContact CB-CG1 4.15Å; A313-I344 HydrophobicContact CB-CG2 4.07Å; A313-I344 WeakPolarHBondContact O-CG2 3.43Å
314	G	78.4	Confident	74	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	175.9	-178.9	0	0	0	0	0	110.9	G176 T312 I330 E348	G176-G314 WeakPolarHBondContact CA-O 3.38Å; G176-G314 PolarHBondContact N-O 3.16Å; T312-G314 VanDerWaalsContact CG2-O 3.28Å; T312-G314 WeakPolarHBondContact CG2-O 3.24Å; G314-I330 CarbonylContact C-O 3.43Å; G314-I330 WeakPolarHBondContact CA-O 3.32Å; G314-E348 VanDerWaalsContact CA-OE1 3.25Å; G314-E348 WeakPolarHBondContact CA-OE1 3.25Å
315	M	81.1	Confident	71.9	Confident	20 Å²	20	38.1 Å²	38.1	10%	0.099	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	139.9	171.5	-170.4	-171.2	-86.6	0	0	109.9	G176 V177 A277 G278 L281 G329 I330 E348 D610	G176-M315 WeakPolarHBondContact O-CE 3.3Å; V177-M315 HydrophobicContact CG2-CG 4.3Å; A277-M315 HydrophobicContact CB-CB 4.21Å; A277-M315 HydrophobicContact CB-CE 3.6Å; A277-M315 HydrophobicContact CB-SD 4.07Å; G278-M315 VanDerWaalsContact CA-SD 3.5Å; G278-M315 PolarHBondContact N-SD 2.76Å; G278-M315 VanDerWaalsContact N-SD 3.43Å; L281-M315 HydrophobicContact CD2-CB 4.29Å; L281-M315 HydrophobicContact CD2-CG 3.8Å; L281-M315 HydrophobicContact CD2-SD 3.95Å; M315-G329 CarbonylContact O-C 3.59Å; M315-G329 VanDerWaalsContact O-CA 3.28Å; M315-G329 WeakPolarHBondContact O-CA 3.47Å; M315-I330 HydrophobicContact CB-CG1 4.16Å; M315-I330 PolarHBondContact N-O 2.95Å; M315-I330 PolarHBondContact O-N 2.86Å; M315-E348 WeakPolarHBondContact CA-OE2 3.47Å; M315-E348 VanDerWaalsContact N-CD 3.29Å; M315-E348 PolarHBondContact N-OE2 2.82Å; M315-D610 HydrophobicContact CE-CB 4.17Å; M315-D610 HydrophobicContact CG-CB 4.44Å; M315-D610 HydrophobicContact SD-CB 4.43Å
316	A	80.3	Confident	70.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	157.8	176.5	0	0	0	0	0	111.9	E348 H351	A316-E348 HydrophobicContact CB-CB 3.97Å; A316-E348 WeakPolarHBondContact CB-O 3.09Å; A316-E348 PolarHBondContact N-OE2 2.87Å; A316-E348 VanDerWaalsContact N-OE2 3.15Å; A316-H351 HydrophobicContact CB-CB 4.05Å
317	F	66.4	Low	70.1	Confident	32 Å²	32	37.2 Å²	37.2	14%	0.14	24%	0.239	C	C	.	.			trans	-78.6	136.8	172	-65.6	-75.7	0	0	0	111.2	L281 V285 T320 H326 H351 N352	L281-F317 HydrophobicContact CD1-CD2 4.31Å; L281-F317 HydrophobicContact CD1-CE2 4.21Å; L281-F317 HydrophobicContact CD2-CD2 3.96Å; L281-F317 HydrophobicContact CD2-CE2 3.8Å; L281-F317 HydrophobicContact CD2-CG 4.38Å; L281-F317 HydrophobicContact CD2-CZ 4.11Å; L281-F317 HydrophobicContact CG-CD2 4.12Å; L281-F317 HydrophobicContact CG-CE2 3.67Å; L281-F317 HydrophobicContact CG-CZ 4.21Å; V285-F317 HydrophobicContact CG1-CD2 4.32Å; V285-F317 HydrophobicContact CG1-CE2 4.12Å; V285-F317 HydrophobicContact CG2-CE2 3.85Å; F317-T320 HydrophobicContact CB-CG2 3.5Å; F317-T320 PolarHBondContact O-OG1 3.3Å; F317-H326 HydrophobicContact CD2-CB 4.2Å; F317-H326 AromaticContact CE2-CD2 3.99Å; F317-H326 HydrophobicContact CG-CB 4.46Å; F317-H351 CarbonylContact O-C 3.58Å; F317-N352 WeakPolarHBondContact O-CA 3.26Å; F317-N352 PolarHBondContact O-N 3.21Å; F317-N352 PolarHBondContact O-ND2 3.45Å
318	V	74.3	Confident	70.4	Confident	36 Å²	36	34.7 Å²	34.7	22%	0.218	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	131.9	-176	-173.3	0	0	0	0	111.9	V177 T320 H351 V611	V177-V318 HydrophobicContact CG1-CG2 4.41Å; V318-T320 VanDerWaalsContact C-N 3.27Å; V318-T320 PolarHBondContact O-N 3.15Å; V318-H351 CarbonylContact C-O 3.52Å; V318-H351 WeakPolarHBondContact CA-O 3.44Å; V318-H351 HydrophobicContact CG2-CB 4.11Å; V318-V611 HydrophobicContact CB-CG2 3.84Å; V318-V611 HydrophobicContact CG2-CG2 3.68Å
319	G	69.7	Low	71.3	Confident	29 Å²	29	32.6 Å²	32.6	30%	0.299	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	11.7	174.8	0	0	0	0	0	115.4	H351 N352	G319-H351 PolarHBondContact N-O 2.96Å; G319-N352 CarbonylContact C-O 3.42Å; G319-N352 VanDerWaalsContact C-O 3.28Å; G319-N352 WeakPolarHBondContact CA-O 3.27Å
320	T	71	Confident	72.4	Confident	27 Å²	27	31.1 Å²	31.1	17%	0.166	20%	0.2	C	C	.	.			trans	-92.4	3.7	-170.8	60.6	0	0	0	0	115.4	F317 V318 S323 H326 A327 N352	F317-T320 HydrophobicContact CB-CG2 3.5Å; F317-T320 PolarHBondContact O-OG1 3.3Å; V318-T320 VanDerWaalsContact C-N 3.27Å; V318-T320 PolarHBondContact O-N 3.15Å; T320-S323 WeakPolarHBondContact O-CA 3.29Å; T320-S323 WeakPolarHBondContact O-CB 3.46Å; T320-S323 PolarHBondContact O-N 3.23Å; T320-H326 WeakPolarHBondContact CB-O 3.09Å; T320-H326 HydrophobicContact CG2-CB 3.81Å; T320-H326 PolarHBondContact OG1-O 3.44Å; T320-A327 VanDerWaalsContact O-CB 3.22Å; T320-A327 WeakPolarHBondContact O-CB 3.33Å; T320-N352 PolarHBondContact N-O 2.9Å; T320-N352 VanDerWaalsContact N-O 3.12Å; T320-N352 PolarHBondContact OG1-ND2 3.09Å
321	V	69.9	Low	74.2	Confident	9 Å²	9	26.7 Å²	26.7	6%	0.055	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	145.2	175.6	71.1	0	0	0	0	112	D299 S323 N352 L353 L393 L402	D299-V321 HydrophobicContact CB-CG2 4.35Å; V321-S323 PolarHBondContact O-N 3.02Å; V321-N352 HydrophobicContact CB-CB 4.46Å; V321-N352 WeakPolarHBondContact CB-O 3.31Å; V321-N352 PolarHBondContact N-O 3.01Å; V321-L353 HydrophobicContact CB-CD2 4.34Å; V321-L353 HydrophobicContact CG1-CD2 4.24Å; V321-L353 HydrophobicContact CG2-CD2 4.1Å; V321-L393 HydrophobicContact CG1-CD2 3.8Å; V321-L402 HydrophobicContact CG1-CD1 4.14Å; V321-L402 HydrophobicContact CG2-CD1 4.22Å; V321-L402 HydrophobicContact CG2-CD2 3.76Å; V321-L402 HydrophobicContact CG2-CG 4.33Å
322	C	63.9	Low	75.5	Confident	50 Å²	50	25.9 Å²	25.9	34%	0.338	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	-12.3	-166.3	-38.7	0	0	0	0	116	D299 R324 G399 C401	D299-C322 PolarHBondContact O-N 2.91Å; C322-R324 PolarHBondContact O-N 3.5Å; C322-G399 VanDerWaalsContact SG-CA 3.55Å; C322-C401 WeakPolarHBondContact CA-SG 3.4Å; C322-C401 HydrophobicContact CB-CB 3.75Å; C322-C401 WeakPolarHBondContact CB-SG 3.36Å; C322-C401 WeakPolarHBondContact SG-CB 3.33Å; C322-C401 PolarHBondContact SG-N 2.91Å; C322-C401 CovalentContact SG-SG 2.02Å; C322-C401 PolarHBondContact SG-SG 3.39Å
323	S	63.7	Low	76.5	Confident	38 Å²	38	24.4 Å²	24.4	27%	0.266	14%	0.135	S	C	.	.			trans	-67.9	127.2	176.9	-179.3	0	0	0	0	111.3	R288 T320 V321 S325 H326 A327	R288-S323 PolarHBondContact NH1-O 3.49Å; T320-S323 WeakPolarHBondContact O-CA 3.29Å; T320-S323 WeakPolarHBondContact O-CB 3.46Å; T320-S323 PolarHBondContact O-N 3.23Å; V321-S323 PolarHBondContact O-N 3.02Å; S323-S325 VanDerWaalsContact C-N 3.33Å; S323-S325 PolarHBondContact O-N 3.3Å; S323-S325 PolarHBondContact OG-N 2.91Å; S323-S325 PolarHBondContact OG-OG 3.19Å; S323-H326 PolarHBondContact OG-N 2.85Å; S323-A327 WeakPolarHBondContact O-CB 3.28Å; S323-A327 PolarHBondContact O-N 2.9Å; S323-A327 VanDerWaalsContact O-N 3.15Å
324	R	62.3	Low	76.8	Confident	139 Å²	139	25.5 Å²	25.5	53%	0.525	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-43.8	174.4	-169.8	-172.5	176.2	138.8	4.6	112	R288 E289 I293 C322	R288-R324 PolarHBondContact NH1-O 3.29Å; E289-R324 HydrophobicContact CG-CG 4.07Å; E289-R324 WeakPolarHBondContact OE1-CD 3.36Å; E289-R324 WeakPolarHBondContact OE1-CG 3.4Å; E289-R324 IonicContact OE1-NE 3.12Å; I293-R324 HydrophobicContact CD1-CB 4.42Å; I293-R324 HydrophobicContact CD1-CG 3.69Å; I293-R324 VanDerWaalsContact CD1-O 3.24Å; I293-R324 WeakPolarHBondContact CD1-O 3.14Å; C322-R324 PolarHBondContact O-N 3.5Å
325	S	55.5	Low	76.8	Confident	36 Å²	36	34.4 Å²	34.4	25%	0.252	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-19.4	-171.7	48.9	0	0	0	0	114.7	V285 E289 S323	V285-S325 WeakPolarHBondContact CB-O 3.16Å; V285-S325 VanDerWaalsContact CG2-O 3.26Å; V285-S325 WeakPolarHBondContact CG2-O 3.25Å; E289-S325 WeakPolarHBondContact OE1-CB 3.19Å; E289-S325 WeakPolarHBondContact OE2-CA 3.12Å; E289-S325 WeakPolarHBondContact OE2-CB 3.12Å; S323-S325 VanDerWaalsContact C-N 3.33Å; S323-S325 PolarHBondContact O-N 3.3Å; S323-S325 PolarHBondContact OG-N 2.91Å; S323-S325 PolarHBondContact OG-OG 3.19Å
326	H	69.3	Low	76.7	Confident	80 Å²	80	35.2 Å²	35.2	37%	0.37	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135	-1.3	-170.2	-64.1	77.8	0	0	0	116.1	F317 T320 S323 G328	F317-H326 HydrophobicContact CD2-CB 4.2Å; F317-H326 AromaticContact CE2-CD2 3.99Å; F317-H326 HydrophobicContact CG-CB 4.46Å; T320-H326 WeakPolarHBondContact CB-O 3.09Å; T320-H326 HydrophobicContact CG2-CB 3.81Å; T320-H326 PolarHBondContact OG1-O 3.44Å; S323-H326 PolarHBondContact OG-N 2.85Å; H326-G328 PolarHBondContact O-N 2.96Å
327	A	76.9	Confident	76.8	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.2	C	C	.	.			trans	-78.6	89.3	177.7	0	0	0	0	0	111.7	R288 D299 S300 A301 T320 S323	R288-A327 WeakPolarHBondContact CD-O 2.95Å; R288-A327 PolarHBondContact NE-O 2.92Å; R288-A327 PolarHBondContact NH1-O 2.79Å; D299-A327 WeakPolarHBondContact O-CB 3.5Å; S300-A327 WeakPolarHBondContact CA-O 3.19Å; A301-A327 PolarHBondContact N-O 2.75Å; T320-A327 VanDerWaalsContact O-CB 3.22Å; T320-A327 WeakPolarHBondContact O-CB 3.33Å; S323-A327 WeakPolarHBondContact O-CB 3.28Å; S323-A327 PolarHBondContact O-N 2.9Å; S323-A327 VanDerWaalsContact O-N 3.15Å
328	G	87	Confident	77.8	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.2	174.4	172	0	0	0	0	0	114	A301 H326 N352	A301-G328 CarbonylContact O-C 3.26Å; A301-G328 WeakPolarHBondContact O-CA 3.41Å; H326-G328 PolarHBondContact O-N 2.96Å; G328-N352 WeakPolarHBondContact CA-OD1 3.31Å; G328-N352 PolarHBondContact N-OD1 3.09Å; G328-N352 PolarHBondContact O-ND2 3.09Å; G328-N352 PolarHBondContact O-OD1 2.65Å
329	G	91.6	Very high	78	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	165.5	178.2	0	0	0	0	0	112.3	F284 A301 Q302 L303 M315	F284-G329 WeakPolarHBondContact CE1-O 3.29Å; A301-G329 PolarHBondContact O-N 3.5Å; A301-G329 VanDerWaalsContact O-N 3.07Å; Q302-G329 WeakPolarHBondContact CA-O 3.3Å; Q302-G329 VanDerWaalsContact OE1-CA 3.27Å; Q302-G329 PolarHBondContact OE1-O 3.49Å; L303-G329 PolarHBondContact N-O 2.93Å; M315-G329 CarbonylContact O-C 3.59Å; M315-G329 VanDerWaalsContact O-CA 3.28Å; M315-G329 WeakPolarHBondContact O-CA 3.47Å
330	I	93.1	Very high	78.6	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	141.9	174.8	70.6	169.4	0	0	0	109.6	A277 V280 L281 F284 L303 L305 F309 G314 M315	A277-I330 HydrophobicContact CB-CD1 4.16Å; A277-I330 WeakPolarHBondContact O-CD1 3.29Å; V280-I330 HydrophobicContact CB-CD1 3.98Å; V280-I330 HydrophobicContact CG1-CD1 4.14Å; L281-I330 HydrophobicContact CB-CD1 4.24Å; L281-I330 HydrophobicContact CB-CG1 4.38Å; L281-I330 HydrophobicContact CB-CG2 4.14Å; L281-I330 HydrophobicContact CD1-CG2 4.04Å; F284-I330 HydrophobicContact CB-CG2 4.21Å; F284-I330 HydrophobicContact CD1-CG2 4.09Å; F284-I330 HydrophobicContact CG-CG2 4.39Å; L303-I330 HydrophobicContact CB-CB 4.39Å; L303-I330 HydrophobicContact CB-CG2 4.06Å; L303-I330 HydrophobicContact CD2-CG2 4.11Å; L303-I330 CarbonylContact O-C 3.48Å; L305-I330 HydrophobicContact CD2-CB 3.79Å; F309-I330 HydrophobicContact CE2-CD1 3.79Å; F309-I330 HydrophobicContact CZ-CD1 3.71Å; G314-I330 CarbonylContact C-O 3.43Å; G314-I330 WeakPolarHBondContact CA-O 3.32Å; M315-I330 HydrophobicContact CB-CG1 4.16Å; M315-I330 PolarHBondContact N-O 2.95Å; M315-I330 PolarHBondContact O-N 2.86Å
331	N	95.4	Very high	79.5	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	120.6	-166.6	-57.3	-94.1	0	0	0	111.2	Q302 L303 L305 F333 F341 I344 V345 E348	Q302-N331 PolarHBondContact OE1-ND2 2.95Å; L303-N331 WeakPolarHBondContact O-CB 3.38Å; L303-N331 PolarHBondContact O-N 2.86Å; L303-N331 PolarHBondContact O-ND2 2.73Å; L305-N331 VanDerWaalsContact CD2-N 3.3Å; L305-N331 VanDerWaalsContact CD2-O 3.29Å; L305-N331 WeakPolarHBondContact CD2-O 3.28Å; L305-N331 PolarHBondContact N-O 3.24Å; N331-F333 PolarHBondContact O-N 3.41Å; N331-F341 HydrophobicContact CB-CE2 3.66Å; N331-F341 HydrophobicContact CB-CZ 3.56Å; N331-I344 HydrophobicContact CB-CG2 4.43Å; N331-V345 HydrophobicContact CB-CG2 3.94Å; N331-V345 VanDerWaalsContact OD1-CA 3.29Å; N331-V345 WeakPolarHBondContact OD1-CA 3.47Å; N331-E348 WeakPolarHBondContact OD1-CG 3.31Å
332	V	90.1	Very high	80.5	Confident	13 Å²	13	31.9 Å²	31.9	8%	0.079	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	107.6	-176	-178.1	0	0	0	0	110.8	L305 F309 A313 G334	L305-V332 CarbonylContact O-C 3.53Å; L305-V332 WeakPolarHBondContact O-CA 3.23Å; F309-V332 HydrophobicContact CD2-CG2 3.69Å; F309-V332 HydrophobicContact CE2-CG2 3.91Å; A313-V332 VanDerWaalsContact O-CB 3.27Å; A313-V332 WeakPolarHBondContact O-CB 3.31Å; A313-V332 WeakPolarHBondContact O-CG2 3.41Å; A313-V332 PolarHBondContact O-N 3.3Å; V332-G334 PolarHBondContact O-N 2.95Å
333	F	90.8	Very high	81.7	Confident	1 Å²	1	29.8 Å²	29.8	0%	0.004	16%	0.155	C	C	.	.			trans	-98.4	78.4	176.8	-158	171.9	0	0	0	111.3	R224 E238 M239 V304 L305 N331 I336 V338 F341	R224-F333 VanDerWaalsContact CZ-CE1 3.45Å; R224-F333 VanDerWaalsContact NH1-CD2 3.27Å; R224-F333 VanDerWaalsContact NH1-CG 3.28Å; R224-F333 PolarHBondContact NH1-O 3.13Å; E238-F333 HydrophobicContact CG-CE1 4.44Å; E238-F333 VanDerWaalsContact OE2-CE1 3.25Å; E238-F333 WeakPolarHBondContact OE2-CE1 3.27Å; M239-F333 HydrophobicContact CE-CD1 4.33Å; M239-F333 HydrophobicContact CE-CE1 3.99Å; V304-F333 HydrophobicContact CG1-CB 3.93Å; V304-F333 HydrophobicContact CG1-CD1 3.86Å; V304-F333 HydrophobicContact CG1-CG 4.43Å; L305-F333 PolarHBondContact O-N 3.13Å; N331-F333 PolarHBondContact O-N 3.41Å; F333-I336 HydrophobicContact CD2-CG1 3.98Å; F333-I336 HydrophobicContact CE2-CG1 4.13Å; F333-I336 WeakPolarHBondContact CE2-O 3.5Å; F333-V338 HydrophobicContact CZ-CB 4.07Å; F333-F341 HydrophobicContact CB-CD1 4.28Å; F333-F341 HydrophobicContact CB-CD2 3.82Å; F333-F341 HydrophobicContact CB-CE1 4.06Å; F333-F341 HydrophobicContact CB-CE2 3.59Å; F333-F341 HydrophobicContact CB-CG 4.17Å; F333-F341 HydrophobicContact CB-CZ 3.72Å; F333-F341 AromaticContact CD1-CD1 3.38Å; F333-F341 HydrophobicContact CD1-CD1 3.38Å; F333-F341 HydrophobicContact CD1-CD2 4.36Å; F333-F341 AromaticContact CD1-CE1 3.51Å; F333-F341 HydrophobicContact CD1-CE1 3.51Å; F333-F341 HydrophobicContact CD1-CE2 4.48Å; F333-F341 AromaticContact CD1-CG 3.84Å; F333-F341 HydrophobicContact CD1-CG 3.84Å; F333-F341 HydrophobicContact CD1-CZ 4.09Å; F333-F341 HydrophobicContact CD2-CB 3.84Å; F333-F341 HydrophobicContact CD2-CD1 4.12Å; F333-F341 AromaticContact CD2-CD2 3.95Å; F333-F341 HydrophobicContact CD2-CD2 3.95Å; F333-F341 AromaticContact CD2-CG 3.69Å; F333-F341 HydrophobicContact CD2-CG 3.69Å; F333-F341 HydrophobicContact CE1-CB 4.41Å; F333-F341 AromaticContact CE1-CD1 3.58Å; F333-F341 HydrophobicContact CE1-CD1 3.58Å; F333-F341 HydrophobicContact CE1-CE1 4.09Å; F333-F341 HydrophobicContact CE1-CG 4.1Å; F333-F341 HydrophobicContact CE2-CB 3.69Å; F333-F341 HydrophobicContact CE2-CD1 4.28Å; F333-F341 AromaticContact CE2-CG 3.96Å; F333-F341 HydrophobicContact CE2-CG 3.96Å; F333-F341 HydrophobicContact CG-CB 4.28Å; F333-F341 AromaticContact CG-CD1 3.67Å; F333-F341 HydrophobicContact CG-CD1 3.67Å; F333-F341 AromaticContact CG-CD2 3.79Å; F333-F341 HydrophobicContact CG-CD2 3.79Å; F333-F341 AromaticContact CG-CE1 3.88Å; F333-F341 HydrophobicContact CG-CE1 3.88Å; F333-F341 HydrophobicContact CG-CE2 4.01Å; F333-F341 AromaticContact CG-CG 3.63Å; F333-F341 HydrophobicContact CG-CG 3.63Å; F333-F341 HydrophobicContact CG-CZ 4.05Å; F333-F341 HydrophobicContact CZ-CB 4Å; F333-F341 HydrophobicContact CZ-CD1 4.04Å; F333-F341 HydrophobicContact CZ-CG 4.17Å
334	G	82.6	Confident	83	Confident	26 Å²	26	28.4 Å²	28.4	27%	0.268	14%	0.144	S	C	.	.			trans	-72.4	-150.6	174.3	0	0	0	0	0	114.2	V332 I336	V332-G334 PolarHBondContact O-N 2.95Å; G334-I336 PolarHBondContact O-N 3.41Å; G334-I336 VanDerWaalsContact O-N 3.09Å
335	Q	77.8	Confident	84.6	Confident	186 Å²	186	21.8 Å²	21.8	87%	0.869	12%	0.119	S	C	*	.	S	Bend	trans	-84.7	45	177.9	-66.7	-170.4	-28.3	0	0	112.7
336	I	80.1	Confident	86.5	Confident	38 Å²	38	20.1 Å²	20.1	20%	0.195	11%	0.108	C	C	.	.	S	Bend	trans	-106.2	165	177.7	59	174.2	0	0	0	110.9	F333 G334 T340 F341 I344	F333-I336 HydrophobicContact CD2-CG1 3.98Å; F333-I336 HydrophobicContact CE2-CG1 4.13Å; F333-I336 WeakPolarHBondContact CE2-O 3.5Å; G334-I336 PolarHBondContact O-N 3.41Å; G334-I336 VanDerWaalsContact O-N 3.09Å; I336-T340 HydrophobicContact CB-CG2 4.31Å; I336-T340 HydrophobicContact CD1-CG2 4.24Å; I336-F341 HydrophobicContact CD1-CB 3.9Å; I336-F341 HydrophobicContact CD1-CD2 4.19Å; I336-F341 HydrophobicContact CG1-CB 4.3Å; I336-I344 HydrophobicContact CD1-CD1 3.82Å
337	T	82.4	Confident	87.6	Confident	25 Å²	25	16.8 Å²	16.8	15%	0.153	9%	0.092	C	C	.	.			trans	-71.7	155	173.8	66.5	0	0	0	0	111.6	H39 E339 T340 F341	H39-T337 WeakPolarHBondContact NE2-CG2 3.34Å; T337-E339 WeakPolarHBondContact CB-OE2 3.1Å; T337-E339 PolarHBondContact O-N 3.13Å; T337-T340 WeakPolarHBondContact O-CA 3.39Å; T337-T340 WeakPolarHBondContact O-CB 3.37Å; T337-T340 PolarHBondContact O-N 3.11Å; T337-T340 WeakPolarHBondContact OG1-CB 3.45Å; T337-T340 PolarHBondContact OG1-N 2.92Å; T337-T340 PolarHBondContact OG1-OG1 3.46Å; T337-F341 PolarHBondContact O-N 3.43Å
338	V	85.9	Confident	88.5	Confident	8 Å²	8	16.9 Å²	16.9	5%	0.048	9%	0.093	C	C	.	.	H	α-helix	trans	-64.8	-32.2	176.8	54.2	0	0	0	0	111.4	E238 L241 L242 Y245 F333 T340 F341 A342	E238-V338 HydrophobicContact CG-CB 4.4Å; E238-V338 HydrophobicContact CG-CG2 4.13Å; L241-V338 HydrophobicContact CD2-CG1 4.1Å; L242-V338 HydrophobicContact CB-CG2 4.14Å; Y245-V338 HydrophobicContact CD2-CG2 4.49Å; Y245-V338 HydrophobicContact CE2-CG1 4.12Å; Y245-V338 HydrophobicContact CE2-CG2 4.14Å; F333-V338 HydrophobicContact CZ-CB 4.07Å; V338-T340 VanDerWaalsContact C-N 3.3Å; V338-T340 PolarHBondContact O-N 3.22Å; V338-F341 PolarHBondContact O-N 2.91Å; V338-A342 WeakPolarHBondContact O-CB 3.25Å; V338-A342 PolarHBondContact O-N 3.02Å
339	E	79.8	Confident	88.9	Confident	2 Å²	2	16.9 Å²	16.9	1%	0.009	9%	0.093	C	C	.	.	H	α-helix	trans	-59.9	-39.3	170.4	-64.5	69.1	-152.6	0	0	111.3	R137 L139 M165 Y245 T337 R380	R137-E339 WeakPolarHBondContact CD-OE1 3.46Å; R137-E339 WeakPolarHBondContact CG-OE1 3.5Å; L139-E339 HydrophobicContact CD2-CB 4.19Å; L139-E339 HydrophobicContact CD2-CG 4.08Å; L139-E339 HydrophobicContact CG-CG 4.33Å; M165-E339 HydrophobicContact CE-CB 4.13Å; Y245-E339 HydrophobicContact CE2-CB 4.43Å; Y245-E339 HydrophobicContact CE2-CG 3.85Å; Y245-E339 PolarHBondContact OH-OE1 2.91Å; T337-E339 WeakPolarHBondContact CB-OE2 3.1Å; T337-E339 PolarHBondContact O-N 3.13Å; E339-R380 VanDerWaalsContact O-CZ 3.28Å; E339-R380 PolarHBondContact O-NE 2.9Å; E339-R380 PolarHBondContact O-NH2 2.75Å
340	T	82.3	Confident	89	Confident	27 Å²	27	16.9 Å²	16.9	17%	0.166	9%	0.093	C	C	.	.	H	α-helix	trans	-75.3	-42.6	176.6	-56	0	0	0	0	111.3	I336 T337 V338 A342 S343	I336-T340 HydrophobicContact CB-CG2 4.31Å; I336-T340 HydrophobicContact CD1-CG2 4.24Å; T337-T340 WeakPolarHBondContact O-CA 3.39Å; T337-T340 WeakPolarHBondContact O-CB 3.37Å; T337-T340 PolarHBondContact O-N 3.11Å; T337-T340 WeakPolarHBondContact OG1-CB 3.45Å; T337-T340 PolarHBondContact OG1-N 2.92Å; T337-T340 PolarHBondContact OG1-OG1 3.46Å; V338-T340 VanDerWaalsContact C-N 3.3Å; V338-T340 PolarHBondContact O-N 3.22Å; T340-A342 VanDerWaalsContact C-N 3.3Å; T340-A342 PolarHBondContact O-N 3.34Å; T340-S343 WeakPolarHBondContact O-CB 3.44Å; T340-S343 PolarHBondContact O-N 3.33Å
341	F	89.9	Confident	88.6	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.2	-35.9	177.6	-177.3	-119	0	0	0	112.7	L242 V304 N331 F333 I336 T337 V338 S343 I344 V345	L242-F341 HydrophobicContact CD1-CD1 4.1Å; L242-F341 HydrophobicContact CD2-CD1 3.94Å; L242-F341 HydrophobicContact CD2-CE1 3.7Å; V304-F341 HydrophobicContact CB-CE1 4.42Å; V304-F341 HydrophobicContact CB-CZ 4.24Å; V304-F341 HydrophobicContact CG1-CE1 3.79Å; V304-F341 HydrophobicContact CG1-CZ 3.75Å; V304-F341 HydrophobicContact CG2-CE1 3.87Å; V304-F341 HydrophobicContact CG2-CZ 3.9Å; N331-F341 HydrophobicContact CB-CE2 3.66Å; N331-F341 HydrophobicContact CB-CZ 3.56Å; F333-F341 HydrophobicContact CB-CD1 4.28Å; F333-F341 HydrophobicContact CB-CD2 3.82Å; F333-F341 HydrophobicContact CB-CE1 4.06Å; F333-F341 HydrophobicContact CB-CE2 3.59Å; F333-F341 HydrophobicContact CB-CG 4.17Å; F333-F341 HydrophobicContact CB-CZ 3.72Å; F333-F341 AromaticContact CD1-CD1 3.38Å; F333-F341 HydrophobicContact CD1-CD1 3.38Å; F333-F341 HydrophobicContact CD1-CD2 4.36Å; F333-F341 AromaticContact CD1-CE1 3.51Å; F333-F341 HydrophobicContact CD1-CE1 3.51Å; F333-F341 HydrophobicContact CD1-CE2 4.48Å; F333-F341 AromaticContact CD1-CG 3.84Å; F333-F341 HydrophobicContact CD1-CG 3.84Å; F333-F341 HydrophobicContact CD1-CZ 4.09Å; F333-F341 HydrophobicContact CD2-CB 3.84Å; F333-F341 HydrophobicContact CD2-CD1 4.12Å; F333-F341 AromaticContact CD2-CD2 3.95Å; F333-F341 HydrophobicContact CD2-CD2 3.95Å; F333-F341 AromaticContact CD2-CG 3.69Å; F333-F341 HydrophobicContact CD2-CG 3.69Å; F333-F341 HydrophobicContact CE1-CB 4.41Å; F333-F341 AromaticContact CE1-CD1 3.58Å; F333-F341 HydrophobicContact CE1-CD1 3.58Å; F333-F341 HydrophobicContact CE1-CE1 4.09Å; F333-F341 HydrophobicContact CE1-CG 4.1Å; F333-F341 HydrophobicContact CE2-CB 3.69Å; F333-F341 HydrophobicContact CE2-CD1 4.28Å; F333-F341 AromaticContact CE2-CG 3.96Å; F333-F341 HydrophobicContact CE2-CG 3.96Å; F333-F341 HydrophobicContact CG-CB 4.28Å; F333-F341 AromaticContact CG-CD1 3.67Å; F333-F341 HydrophobicContact CG-CD1 3.67Å; F333-F341 AromaticContact CG-CD2 3.79Å; F333-F341 HydrophobicContact CG-CD2 3.79Å; F333-F341 AromaticContact CG-CE1 3.88Å; F333-F341 HydrophobicContact CG-CE1 3.88Å; F333-F341 HydrophobicContact CG-CE2 4.01Å; F333-F341 AromaticContact CG-CG 3.63Å; F333-F341 HydrophobicContact CG-CG 3.63Å; F333-F341 HydrophobicContact CG-CZ 4.05Å; F333-F341 HydrophobicContact CZ-CB 4Å; F333-F341 HydrophobicContact CZ-CD1 4.04Å; F333-F341 HydrophobicContact CZ-CG 4.17Å; I336-F341 HydrophobicContact CD1-CB 3.9Å; I336-F341 HydrophobicContact CD1-CD2 4.19Å; I336-F341 HydrophobicContact CG1-CB 4.3Å; T337-F341 PolarHBondContact O-N 3.43Å; V338-F341 PolarHBondContact O-N 2.91Å; F341-S343 PolarHBondContact O-N 3.13Å; F341-S343 VanDerWaalsContact O-N 3.15Å; F341-I344 HydrophobicContact CD2-CD1 4.24Å; F341-I344 WeakPolarHBondContact O-CB 3.3Å; F341-I344 PolarHBondContact O-N 3.33Å; F341-V345 HydrophobicContact CD1-CG2 4.03Å; F341-V345 HydrophobicContact CD2-CG2 4.5Å; F341-V345 HydrophobicContact CE1-CG2 3.53Å; F341-V345 HydrophobicContact CE2-CG2 4.04Å; F341-V345 HydrophobicContact CG-CG2 4.49Å; F341-V345 HydrophobicContact CZ-CG2 3.53Å; F341-V345 PolarHBondContact O-N 3.13Å; F341-V345 VanDerWaalsContact O-N 3.13Å
342	A	90.9	Very high	88.4	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-59.2	-24.4	173	0	0	0	0	0	113.4	L242 Y245 L246 M249 V338 T340 I344 A346	L242-A342 HydrophobicContact CD1-CB 3.6Å; Y245-A342 HydrophobicContact CD2-CB 3.91Å; Y245-A342 HydrophobicContact CG-CB 4.38Å; L246-A342 WeakPolarHBondContact CD2-O 3.41Å; M249-A342 HydrophobicContact CE-CB 3.52Å; V338-A342 WeakPolarHBondContact O-CB 3.25Å; V338-A342 PolarHBondContact O-N 3.02Å; T340-A342 VanDerWaalsContact C-N 3.3Å; T340-A342 PolarHBondContact O-N 3.34Å; A342-I344 VanDerWaalsContact C-N 3.32Å; A342-A346 WeakPolarHBondContact O-CB 3.37Å; A342-A346 PolarHBondContact O-N 3.48Å
343	S	88.6	Confident	88.4	Confident	7 Å²	7	16.3 Å²	16.3	5%	0.049	9%	0.089	C	C	.	.	H	α-helix	trans	-61.4	-40.8	170.4	-151.2	0	0	0	0	112.3	T340 F341 H347 G378 S379 R380	T340-S343 WeakPolarHBondContact O-CB 3.44Å; T340-S343 PolarHBondContact O-N 3.33Å; F341-S343 PolarHBondContact O-N 3.13Å; F341-S343 VanDerWaalsContact O-N 3.15Å; S343-H347 WeakPolarHBondContact O-CB 3.33Å; S343-H347 PolarHBondContact O-N 3.45Å; S343-H347 VanDerWaalsContact O-N 3.15Å; S343-G378 WeakPolarHBondContact OG-CA 3.47Å; S343-S379 PolarHBondContact OG-O 2.72Å; S343-R380 PolarHBondContact OG-NH1 3.44Å
344	I	91.4	Very high	87.8	Confident	9 Å²	9	16.7 Å²	16.7	5%	0.046	9%	0.094	C	C	.	.	H	α-helix	trans	-75.5	-49.9	-175.9	-60.9	162.8	0	0	0	108.3	A313 N331 I336 F341 A342 A346 H347 E348	A313-I344 HydrophobicContact CB-CD1 4.03Å; A313-I344 HydrophobicContact CB-CG1 4.15Å; A313-I344 HydrophobicContact CB-CG2 4.07Å; A313-I344 WeakPolarHBondContact O-CG2 3.43Å; N331-I344 HydrophobicContact CB-CG2 4.43Å; I336-I344 HydrophobicContact CD1-CD1 3.82Å; F341-I344 HydrophobicContact CD2-CD1 4.24Å; F341-I344 WeakPolarHBondContact O-CB 3.3Å; F341-I344 PolarHBondContact O-N 3.33Å; A342-I344 VanDerWaalsContact C-N 3.32Å; I344-A346 VanDerWaalsContact C-N 3.26Å; I344-A346 PolarHBondContact O-N 2.79Å; I344-H347 WeakPolarHBondContact O-CA 3.15Å; I344-H347 WeakPolarHBondContact O-CB 3.43Å; I344-H347 PolarHBondContact O-N 3.15Å; I344-E348 HydrophobicContact CG2-CG 4.31Å; I344-E348 WeakPolarHBondContact O-CG 3.46Å; I344-E348 PolarHBondContact O-N 2.72Å
345	V	95.8	Very high	88	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.4	-32.4	178.1	-170.1	0	0	0	0	112	L242 L246 Q302 N331 F341 L349	L242-V345 HydrophobicContact CD1-CB 4.36Å; L242-V345 HydrophobicContact CD1-CG2 4.18Å; L242-V345 HydrophobicContact CD2-CG2 4.33Å; L246-V345 HydrophobicContact CD1-CB 4.3Å; L246-V345 HydrophobicContact CD1-CG1 3.7Å; L246-V345 HydrophobicContact CD2-CB 4.09Å; L246-V345 HydrophobicContact CD2-CG1 4.29Å; Q302-V345 HydrophobicContact CB-CG1 4.18Å; Q302-V345 HydrophobicContact CG-CG1 4.05Å; N331-V345 HydrophobicContact CB-CG2 3.94Å; N331-V345 VanDerWaalsContact OD1-CA 3.29Å; N331-V345 WeakPolarHBondContact OD1-CA 3.47Å; F341-V345 HydrophobicContact CD1-CG2 4.03Å; F341-V345 HydrophobicContact CD2-CG2 4.5Å; F341-V345 HydrophobicContact CE1-CG2 3.53Å; F341-V345 HydrophobicContact CE2-CG2 4.04Å; F341-V345 HydrophobicContact CG-CG2 4.49Å; F341-V345 HydrophobicContact CZ-CG2 3.53Å; F341-V345 PolarHBondContact O-N 3.13Å; F341-V345 VanDerWaalsContact O-N 3.13Å; V345-L349 WeakPolarHBondContact O-CB 3.46Å; V345-L349 PolarHBondContact O-N 2.96Å; V345-L349 VanDerWaalsContact O-N 3.09Å
346	A	94.9	Very high	88.2	Confident	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-65.9	-39.6	171.3	0	0	0	0	0	112.5	L246 M249 Y250 A342 I344 G350 I371	L246-A346 HydrophobicContact CD2-CB 3.75Å; M249-A346 HydrophobicContact SD-CB 3.83Å; Y250-A346 HydrophobicContact CE2-CB 4.22Å; Y250-A346 PolarHBondContact OH-O 3.23Å; A342-A346 WeakPolarHBondContact O-CB 3.37Å; A342-A346 PolarHBondContact O-N 3.48Å; I344-A346 VanDerWaalsContact C-N 3.26Å; I344-A346 PolarHBondContact O-N 2.79Å; A346-G350 PolarHBondContact O-N 2.87Å; A346-I371 HydrophobicContact CB-CD1 4.4Å; A346-I371 HydrophobicContact CB-CG2 4.17Å
347	H	93.2	Very high	88.4	Confident	11 Å²	11	8.6 Å²	8.6	5%	0.051	5%	0.05	C	C	.	.	H	α-helix	trans	-67.8	-50.1	178.3	-177.7	112.6	0	0	0	112.1	C175 S343 I344 L349 G350 H351 H357 I371 N373	C175-H347 VanDerWaalsContact CB-NE2 3.27Å; C175-H347 WeakPolarHBondContact CB-NE2 3.34Å; C175-H347 PolarHBondContact SG-CD2 3.37Å; C175-H347 PolarHBondContact SG-NE2 3.49Å; S343-H347 WeakPolarHBondContact O-CB 3.33Å; S343-H347 PolarHBondContact O-N 3.45Å; S343-H347 VanDerWaalsContact O-N 3.15Å; I344-H347 WeakPolarHBondContact O-CA 3.15Å; I344-H347 WeakPolarHBondContact O-CB 3.43Å; I344-H347 PolarHBondContact O-N 3.15Å; H347-L349 PolarHBondContact O-N 3.05Å; H347-G350 WeakPolarHBondContact O-CA 3.11Å; H347-G350 PolarHBondContact O-N 3.4Å; H347-H351 AromaticContact CD2-CD2 3.51Å; H347-H351 AromaticContact CD2-NE2 3.3Å; H347-H351 PolarHBondContact CD2-NE2 3.27Å; H347-H351 VanDerWaalsContact CD2-NE2 3.3Å; H347-H351 AromaticContact CE1-NE2 3.9Å; H347-H351 AromaticContact NE2-CD2 3.64Å; H347-H351 AromaticContact NE2-CE1 3.93Å; H347-H351 AromaticContact NE2-NE2 2.9Å; H347-H351 PolarHBondContact NE2-NE2 2.83Å; H347-H351 PolarHBondContact O-CD2 3.19Å; H347-H351 PolarHBondContact O-N 2.94Å; H347-H357 AromaticContact CE1-CD2 3.45Å; H347-H357 PolarHBondContact CE1-CD2 3.12Å; H347-H357 VanDerWaalsContact CE1-CD2 3.45Å; H347-H357 AromaticContact CE1-NE2 3.32Å; H347-H357 PolarHBondContact CE1-NE2 2.92Å; H347-H357 VanDerWaalsContact CE1-NE2 3.32Å; H347-H357 AromaticContact NE2-CD2 3.65Å; H347-H357 AromaticContact NE2-NE2 3.08Å; H347-H357 PolarHBondContact NE2-NE2 2.81Å; H347-I371 HydrophobicContact CB-CG2 4.05Å; H347-I371 PolarHBondContact ND1-O 3.22Å; H347-N373 PolarHBondContact CE1-O 2.89Å; H347-N373 PolarHBondContact ND1-O 3.36Å
348	E	94.6	Very high	88.3	Confident	1 Å²	1	8.1 Å²	8.1	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-65.7	-36.3	179.2	-57.2	-47.7	152.8	0	0	112.4	C175 G314 M315 A316 N331 I344 G350 H351 N352	C175-E348 PolarHBondContact SG-OE1 3.1Å; G314-E348 VanDerWaalsContact CA-OE1 3.25Å; G314-E348 WeakPolarHBondContact CA-OE1 3.25Å; M315-E348 WeakPolarHBondContact CA-OE2 3.47Å; M315-E348 VanDerWaalsContact N-CD 3.29Å; M315-E348 PolarHBondContact N-OE2 2.82Å; A316-E348 HydrophobicContact CB-CB 3.97Å; A316-E348 WeakPolarHBondContact CB-O 3.09Å; A316-E348 PolarHBondContact N-OE2 2.87Å; A316-E348 VanDerWaalsContact N-OE2 3.15Å; N331-E348 WeakPolarHBondContact OD1-CG 3.31Å; I344-E348 HydrophobicContact CG2-CG 4.31Å; I344-E348 WeakPolarHBondContact O-CG 3.46Å; I344-E348 PolarHBondContact O-N 2.72Å; E348-G350 VanDerWaalsContact C-N 3.27Å; E348-G350 PolarHBondContact O-N 3.39Å; E348-H351 PolarHBondContact O-N 3.25Å; E348-H351 IonicContact OE2-CD2 2.94Å; E348-N352 PolarHBondContact O-N 3.12Å
349	L	96.3	Very high	87.8	Confident	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-68.3	-29.6	170.6	-172.8	60.5	0	0	0	111.9	V214 Y250 I257 V345 H347 N352 L353	V214-L349 HydrophobicContact CG1-CD1 4.31Å; V214-L349 HydrophobicContact CG1-CD2 4.45Å; Y250-L349 HydrophobicContact CE2-CB 4.47Å; Y250-L349 HydrophobicContact CE2-CD2 3.94Å; Y250-L349 HydrophobicContact CE2-CG 4.4Å; Y250-L349 VanDerWaalsContact OH-C 3.31Å; I257-L349 HydrophobicContact CD1-CD2 3.82Å; V345-L349 WeakPolarHBondContact O-CB 3.46Å; V345-L349 PolarHBondContact O-N 2.96Å; V345-L349 VanDerWaalsContact O-N 3.09Å; H347-L349 PolarHBondContact O-N 3.05Å; L349-N352 HydrophobicContact CD1-CB 4.47Å; L349-N352 PolarHBondContact O-N 2.9Å; L349-L353 HydrophobicContact CG-CD1 4.1Å; L349-L353 WeakPolarHBondContact O-CB 3.37Å; L349-L353 VanDerWaalsContact O-CG 3.31Å; L349-L353 WeakPolarHBondContact O-CG 3.44Å; L349-L353 PolarHBondContact O-N 2.91Å
350	G	93.8	Very high	87.3	Confident	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-65.3	-40.9	176.7	0	0	0	0	0	111.6	Y250 A346 H347 E348 L353 G354 M355	Y250-G350 VanDerWaalsContact OH-CA 3.24Å; Y250-G350 WeakPolarHBondContact OH-CA 3.39Å; Y250-G350 PolarHBondContact OH-N 2.97Å; A346-G350 PolarHBondContact O-N 2.87Å; H347-G350 WeakPolarHBondContact O-CA 3.11Å; H347-G350 PolarHBondContact O-N 3.4Å; E348-G350 VanDerWaalsContact C-N 3.27Å; E348-G350 PolarHBondContact O-N 3.39Å; G350-L353 CarbonylContact O-C 3.5Å; G350-L353 WeakPolarHBondContact O-CA 3.16Å; G350-L353 PolarHBondContact O-N 3.06Å; G350-L353 VanDerWaalsContact O-N 3.16Å; G350-G354 PolarHBondContact O-N 3.23Å; G350-M355 WeakPolarHBondContact O-CB 3.26Å; G350-M355 WeakPolarHBondContact O-CG 3.4Å; G350-M355 PolarHBondContact O-N 3.15Å
351	H	84.7	Confident	86.8	Confident	1 Å²	1	14.3 Å²	14.3	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-57.3	-51.8	168.6	-73.2	-55.7	0	0	0	111.2	V177 A316 F317 V318 G319 H347 E348 L353 G354 M355 H357 M372	V177-H351 WeakPolarHBondContact CB-NE2 3.49Å; A316-H351 HydrophobicContact CB-CB 4.05Å; F317-H351 CarbonylContact O-C 3.58Å; V318-H351 CarbonylContact C-O 3.52Å; V318-H351 WeakPolarHBondContact CA-O 3.44Å; V318-H351 HydrophobicContact CG2-CB 4.11Å; G319-H351 PolarHBondContact N-O 2.96Å; H347-H351 AromaticContact CD2-CD2 3.51Å; H347-H351 AromaticContact CD2-NE2 3.3Å; H347-H351 PolarHBondContact CD2-NE2 3.27Å; H347-H351 VanDerWaalsContact CD2-NE2 3.3Å; H347-H351 AromaticContact CE1-NE2 3.9Å; H347-H351 AromaticContact NE2-CD2 3.64Å; H347-H351 AromaticContact NE2-CE1 3.93Å; H347-H351 AromaticContact NE2-NE2 2.9Å; H347-H351 PolarHBondContact NE2-NE2 2.83Å; H347-H351 PolarHBondContact O-CD2 3.19Å; H347-H351 PolarHBondContact O-N 2.94Å; E348-H351 PolarHBondContact O-N 3.25Å; E348-H351 IonicContact OE2-CD2 2.94Å; H351-L353 PolarHBondContact O-N 2.84Å; H351-L353 VanDerWaalsContact O-N 3.15Å; H351-G354 WeakPolarHBondContact O-CA 3.38Å; H351-G354 PolarHBondContact O-N 2.98Å; H351-M355 PolarHBondContact ND1-O 2.95Å; H351-H357 AromaticContact CE1-CD2 3.59Å; H351-H357 AromaticContact CE1-CE1 3.96Å; H351-H357 AromaticContact CE1-NE2 3.31Å; H351-H357 PolarHBondContact CE1-NE2 2.98Å; H351-H357 VanDerWaalsContact CE1-NE2 3.31Å; H351-H357 AromaticContact NE2-CD2 3.8Å; H351-H357 AromaticContact NE2-NE2 3.2Å; H351-H357 PolarHBondContact NE2-NE2 3.01Å; H351-M372 VanDerWaalsContact CE1-CE 3.43Å; H351-M372 WeakPolarHBondContact CE1-CE 3.37Å
352	N	89.8	Confident	86.4	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-55.5	-36.3	175.9	-67.1	159	0	0	0	112.6	S300 Q302 F317 G319 T320 V321 G328 E348 L349 G354	S300-N352 PolarHBondContact OG-OD1 3.22Å; Q302-N352 PolarHBondContact NE2-OD1 2.92Å; F317-N352 WeakPolarHBondContact O-CA 3.26Å; F317-N352 PolarHBondContact O-N 3.21Å; F317-N352 PolarHBondContact O-ND2 3.45Å; G319-N352 CarbonylContact C-O 3.42Å; G319-N352 VanDerWaalsContact C-O 3.28Å; G319-N352 WeakPolarHBondContact CA-O 3.27Å; T320-N352 PolarHBondContact N-O 2.9Å; T320-N352 VanDerWaalsContact N-O 3.12Å; T320-N352 PolarHBondContact OG1-ND2 3.09Å; V321-N352 HydrophobicContact CB-CB 4.46Å; V321-N352 WeakPolarHBondContact CB-O 3.31Å; V321-N352 PolarHBondContact N-O 3.01Å; G328-N352 WeakPolarHBondContact CA-OD1 3.31Å; G328-N352 PolarHBondContact N-OD1 3.09Å; G328-N352 PolarHBondContact O-ND2 3.09Å; G328-N352 PolarHBondContact O-OD1 2.65Å; E348-N352 PolarHBondContact O-N 3.12Å; L349-N352 HydrophobicContact CD1-CB 4.47Å; L349-N352 PolarHBondContact O-N 2.9Å; N352-G354 PolarHBondContact O-N 3.34Å
353	L	90.4	Very high	85.9	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	11	175.4	-67.4	164.8	0	0	0	114	V214 Y250 I255 V321 L349 G350 H351 M355 F390 L393 L402	V214-L353 HydrophobicContact CG2-CD1 4.45Å; V214-L353 HydrophobicContact CG2-CD2 4.19Å; Y250-L353 HydrophobicContact CD1-CD1 4.16Å; Y250-L353 HydrophobicContact CE1-CD1 3.31Å; I255-L353 HydrophobicContact CD1-CD1 4.13Å; V321-L353 HydrophobicContact CB-CD2 4.34Å; V321-L353 HydrophobicContact CG1-CD2 4.24Å; V321-L353 HydrophobicContact CG2-CD2 4.1Å; L349-L353 HydrophobicContact CG-CD1 4.1Å; L349-L353 WeakPolarHBondContact O-CB 3.37Å; L349-L353 VanDerWaalsContact O-CG 3.31Å; L349-L353 WeakPolarHBondContact O-CG 3.44Å; L349-L353 PolarHBondContact O-N 2.91Å; G350-L353 CarbonylContact O-C 3.5Å; G350-L353 WeakPolarHBondContact O-CA 3.16Å; G350-L353 PolarHBondContact O-N 3.06Å; G350-L353 VanDerWaalsContact O-N 3.16Å; H351-L353 PolarHBondContact O-N 2.84Å; H351-L353 VanDerWaalsContact O-N 3.15Å; L353-M355 HydrophobicContact CB-CE 3.95Å; L353-M355 HydrophobicContact CD1-CE 4.26Å; L353-F390 HydrophobicContact CB-CD2 4.17Å; L353-F390 HydrophobicContact CD2-CD2 4.39Å; L353-F390 HydrophobicContact CD2-CE2 3.89Å; L353-F390 WeakPolarHBondContact O-CD2 3.38Å; L353-L393 VanDerWaalsContact C-CD2 3.47Å; L353-L393 WeakPolarHBondContact O-CD2 3.28Å; L353-L402 HydrophobicContact CD2-CD1 3.61Å
354	G	79.5	Confident	85.7	Confident	10 Å²	10	26.8 Å²	26.8	10%	0.103	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	7	170.5	0	0	0	0	0	115.5	G350 H351 N352	G350-G354 PolarHBondContact O-N 3.23Å; H351-G354 WeakPolarHBondContact O-CA 3.38Å; H351-G354 PolarHBondContact O-N 2.98Å; N352-G354 PolarHBondContact O-N 3.34Å
355	M	86.8	Confident	85.1	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-77	132.4	178.1	-50.8	179.7	-156	0	0	110.1	Y250 L253 I255 G350 H351 L353 M372 F382 F390	Y250-M355 HydrophobicContact CE1-CE 3.94Å; L253-M355 HydrophobicContact CD1-CE 3.31Å; L253-M355 HydrophobicContact CD1-SD 4.08Å; I255-M355 HydrophobicContact CD1-CE 4.46Å; G350-M355 WeakPolarHBondContact O-CB 3.26Å; G350-M355 WeakPolarHBondContact O-CG 3.4Å; G350-M355 PolarHBondContact O-N 3.15Å; H351-M355 PolarHBondContact ND1-O 2.95Å; L353-M355 HydrophobicContact CB-CE 3.95Å; L353-M355 HydrophobicContact CD1-CE 4.26Å; M355-M372 HydrophobicContact CB-CE 4.03Å; M355-M372 HydrophobicContact CB-CG 4.02Å; M355-M372 HydrophobicContact CB-SD 4.16Å; M355-M372 HydrophobicContact SD-CG 4.26Å; M355-M372 HydrophobicContact SD-SD 4.34Å; M355-F382 HydrophobicContact CE-CD1 4.46Å; M355-F382 HydrophobicContact CE-CE1 4.18Å; M355-F382 HydrophobicContact SD-CD1 3.59Å; M355-F382 VanDerWaalsContact SD-CD1 3.59Å; M355-F382 HydrophobicContact SD-CE1 3.5Å; M355-F382 WeakPolarHBondContact SD-CE1 3.43Å; M355-F382 HydrophobicContact SD-CZ 4.36Å; M355-F390 HydrophobicContact CE-CB 4.23Å
356	N	81.1	Confident	83.7	Confident	65 Å²	65	30.8 Å²	30.8	35%	0.348	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-93.3	171.8	169.6	-51.8	-91.8	0	0	0	109.5	D389	N356-D389 PolarHBondContact N-OD2 2.81Å; N356-D389 PolarHBondContact ND2-OD2 3.37Å
357	H	85.1	Confident	82.5	Confident	15 Å²	15	33 Å²	33	7%	0.069	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-61.5	154.2	174.7	-65.3	143	0	0	0	113.6	V177 S178 N179 H347 H351 R361 M372	V177-H357 PolarHBondContact O-CE1 2.79Å; S178-H357 PolarHBondContact O-CE1 3.15Å; S178-H357 PolarHBondContact O-ND1 3.42Å; N179-H357 WeakPolarHBondContact OD1-CB 3.27Å; N179-H357 PolarHBondContact OD1-ND1 3.3Å; H347-H357 AromaticContact CE1-CD2 3.45Å; H347-H357 PolarHBondContact CE1-CD2 3.12Å; H347-H357 VanDerWaalsContact CE1-CD2 3.45Å; H347-H357 AromaticContact CE1-NE2 3.32Å; H347-H357 PolarHBondContact CE1-NE2 2.92Å; H347-H357 VanDerWaalsContact CE1-NE2 3.32Å; H347-H357 AromaticContact NE2-CD2 3.65Å; H347-H357 AromaticContact NE2-NE2 3.08Å; H347-H357 PolarHBondContact NE2-NE2 2.81Å; H351-H357 AromaticContact CE1-CD2 3.59Å; H351-H357 AromaticContact CE1-CE1 3.96Å; H351-H357 AromaticContact CE1-NE2 3.31Å; H351-H357 PolarHBondContact CE1-NE2 2.98Å; H351-H357 VanDerWaalsContact CE1-NE2 3.31Å; H351-H357 AromaticContact NE2-CD2 3.8Å; H351-H357 AromaticContact NE2-NE2 3.2Å; H351-H357 PolarHBondContact NE2-NE2 3.01Å; H357-R361 WeakPolarHBondContact O-CD 3.13Å; H357-R361 PolarHBondContact O-NH1 3.07Å; H357-M372 CarbonylContact C-O 3.53Å; H357-M372 WeakPolarHBondContact CA-O 3.48Å; H357-M372 WeakPolarHBondContact CB-O 3.03Å; H357-M372 PolarHBondContact CD2-O 3.22Å
358	D	80.1	Confident	81.4	Confident	15 Å²	15	40.8 Å²	40.8	8%	0.08	25%	0.247	C	C	.	.			trans	-83.4	-15.1	175.3	-64.6	-40.6	0	0	0	112.6	R361 C370 M372 S383 S386	D358-R361 PolarHBondContact O-N 2.77Å; D358-C370 WeakPolarHBondContact OD2-CB 3.49Å; D358-M372 PolarHBondContact N-O 3.09Å; D358-S383 WeakPolarHBondContact OD1-CB 3.39Å; D358-S383 PolarHBondContact OD1-OG 3.11Å; D358-S386 PolarHBondContact OD1-OG 2.94Å
359	D	74.5	Confident	80.5	Confident	44 Å²	44	42.1 Å²	42.1	24%	0.235	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	138	-173.5	-74.9	-64	0	0	0	112.9	N179 R361 N373 S374	N179-D359 WeakPolarHBondContact ND2-CB 3.22Å; N179-D359 PolarHBondContact ND2-OD2 2.77Å; N179-D359 PolarHBondContact OD1-OD2 2.92Å; D359-R361 PolarHBondContact O-N 2.92Å; D359-R361 VanDerWaalsContact O-N 3.09Å; D359-N373 VanDerWaalsContact CG-ND2 3.3Å; D359-N373 PolarHBondContact OD1-ND2 3.33Å; D359-N373 PolarHBondContact OD2-ND2 3.48Å; D359-S374 VanDerWaalsContact OD2-CB 3.23Å; D359-S374 WeakPolarHBondContact OD2-CB 3.33Å; D359-S374 PolarHBondContact OD2-N 3.43Å; D359-S374 PolarHBondContact OD2-OG 3.06Å
360	G	68.9	Low	80	Confident	50 Å²	50	42.3 Å²	42.3	52%	0.515	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	-12.5	-178.6	0	0	0	0	0	115.7
361	R	72.2	Confident	79.8	Confident	73 Å²	73	42.4 Å²	42.4	28%	0.275	26%	0.258	S	S	.	.	S	Bend	trans	-90.3	153.4	-179.9	-62.8	165.3	75.7	167.3	8.4	111.2	I182 H357 D358 D359 C363 D389	I182-R361 HydrophobicContact CD1-CG 4.3Å; H357-R361 WeakPolarHBondContact O-CD 3.13Å; H357-R361 PolarHBondContact O-NH1 3.07Å; D358-R361 PolarHBondContact O-N 2.77Å; D359-R361 PolarHBondContact O-N 2.92Å; D359-R361 VanDerWaalsContact O-N 3.09Å; R361-C363 VanDerWaalsContact C-N 3.35Å; R361-C363 WeakPolarHBondContact CB-SG 3.35Å; R361-C363 PolarHBondContact O-N 3.32Å; R361-C363 VanDerWaalsContact O-N 3.07Å; R361-D389 IonicContact CZ-OD1 2.72Å; R361-D389 IonicContact CZ-OD2 3.34Å; R361-D389 IonicContact NH1-OD2 2.68Å; R361-D389 PolarHBondContact NH1-OD2 2.89Å; R361-D389 IonicContact NH2-OD1 3.77Å; R361-D389 PolarHBondContact NH2-OD1 2.84Å; R361-D389 IonicContact NH2-OD2 2.74Å; R361-D389 PolarHBondContact NH2-OD2 2.86Å; R361-D389 VanDerWaalsContact NH2-OD2 3.1Å
362	D	80.9	Confident	80	Confident	170 Å²	170	42.3 Å²	42.3	91%	0.909	26%	0.258	S	S	*	.			trans	-80.9	81.6	170.2	-174.3	29.4	0	0	0	110.5
363	C	81.8	Confident	79.7	Confident	26 Å²	26	44 Å²	44	18%	0.176	27%	0.267	C	S	.	.			trans	-108	124.3	-175.2	-58.2	0	0	0	0	111.9	R361 C365 C385	R361-C363 VanDerWaalsContact C-N 3.35Å; R361-C363 WeakPolarHBondContact CB-SG 3.35Å; R361-C363 PolarHBondContact O-N 3.32Å; R361-C363 VanDerWaalsContact O-N 3.07Å; C363-C365 PolarHBondContact O-N 3.46Å; C363-C365 VanDerWaalsContact O-N 3.15Å; C363-C385 WeakPolarHBondContact CA-SG 3.1Å; C363-C385 HydrophobicContact CB-CB 3.92Å; C363-C385 WeakPolarHBondContact CB-SG 3.33Å; C363-C385 WeakPolarHBondContact SG-CB 3.26Å; C363-C385 CovalentContact SG-SG 2.03Å; C363-C385 PolarHBondContact SG-SG 3.3Å
364	S	83.8	Confident	79	Confident	72 Å²	72	44.6 Å²	44.6	50%	0.503	27%	0.271	S	S	.	.			trans	-70.2	110.5	171.8	-176.2	0	0	0	0	109.5	S383 S384	S364-S383 WeakPolarHBondContact O-CA 3.49Å; S364-S384 WeakPolarHBondContact CB-OG 2.94Å; S364-S384 PolarHBondContact N-OG 3.16Å; S364-S384 PolarHBondContact O-N 2.72Å
365	C	78.4	Confident	78.3	Confident	41 Å²	41	45.1 Å²	45.1	28%	0.277	28%	0.276	S	S	.	.			trans	-120	134	175.9	-171.1	0	0	0	0	110.5	C363 A367 S369 C370	C363-C365 PolarHBondContact O-N 3.46Å; C363-C365 VanDerWaalsContact O-N 3.15Å; C365-A367 PolarHBondContact O-N 3.43Å; C365-A367 PolarHBondContact SG-O 2.86Å; C365-S369 PolarHBondContact SG-O 3.37Å; C365-S369 VanDerWaalsContact SG-O 3.34Å; C365-C370 HydrophobicContact CB-CB 4.11Å; C365-C370 WeakPolarHBondContact CB-SG 3.45Å; C365-C370 WeakPolarHBondContact SG-CA 3.41Å; C365-C370 WeakPolarHBondContact SG-CB 3.43Å; C365-C370 PolarHBondContact SG-N 3.47Å; C365-C370 VanDerWaalsContact SG-N 3.37Å; C365-C370 CovalentContact SG-SG 2.04Å; C365-C370 PolarHBondContact SG-SG 2.89Å
366	G	66.3	Low	77.3	Confident	53 Å²	53	46.6 Å²	46.6	55%	0.546	29%	0.289	S	S	.	.	S	Bend	trans	-78.4	10.7	177.9	0	0	0	0	0	114.8
367	A	70.9	Confident	76.5	Confident	47 Å²	47	44.1 Å²	44.1	39%	0.388	28%	0.276	S	S	.	.	S	Bend	trans	-148.7	172.3	-176.8	0	0	0	0	0	109.8	C365 S369	C365-A367 PolarHBondContact O-N 3.43Å; C365-A367 PolarHBondContact SG-O 2.86Å; A367-S369 PolarHBondContact O-N 2.91Å
368	K	69.1	Low	75.7	Confident	174 Å²	174	43.9 Å²	43.9	76%	0.757	28%	0.277	S	S	*	.	S	Bend	trans	-56.3	-20.4	178	-67.2	169.7	-179.9	158.4	0	114.3	D166	D166-K368 WeakPolarHBondContact OD2-CD 3.42Å; D166-K368 VanDerWaalsContact OD2-CE 3.31Å; D166-K368 WeakPolarHBondContact OD2-CE 3.41Å; D166-K368 IonicContact OD2-NZ 3.9Å; D166-K368 PolarHBondContact OD2-NZ 3.07Å
369	S	77	Confident	75.5	Confident	29 Å²	29	43.6 Å²	43.6	20%	0.203	28%	0.277	C	S	.	.	S	Bend	trans	-162.9	155.5	-179.2	45.1	0	0	0	0	108	C365 A367 S377 S379	C365-S369 PolarHBondContact SG-O 3.37Å; C365-S369 VanDerWaalsContact SG-O 3.34Å; A367-S369 PolarHBondContact O-N 2.91Å; S369-S377 WeakPolarHBondContact OG-CB 3.4Å; S369-S379 WeakPolarHBondContact O-CB 3.43Å; S369-S379 PolarHBondContact O-OG 3.04Å
370	C	85.9	Confident	75.7	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.02	27%	0.268	C	S	.	.			trans	-109.8	174.1	178.4	-91.9	0	0	0	0	111.2	D358 C365 M372 N373 S377 S379 N381 F382	D358-C370 WeakPolarHBondContact OD2-CB 3.49Å; C365-C370 HydrophobicContact CB-CB 4.11Å; C365-C370 WeakPolarHBondContact CB-SG 3.45Å; C365-C370 WeakPolarHBondContact SG-CA 3.41Å; C365-C370 WeakPolarHBondContact SG-CB 3.43Å; C365-C370 PolarHBondContact SG-N 3.47Å; C365-C370 VanDerWaalsContact SG-N 3.37Å; C365-C370 CovalentContact SG-SG 2.04Å; C365-C370 PolarHBondContact SG-SG 2.89Å; C370-M372 VanDerWaalsContact C-N 3.31Å; C370-M372 PolarHBondContact O-N 3.13Å; C370-N373 WeakPolarHBondContact O-CB 3.13Å; C370-N373 PolarHBondContact O-N 2.74Å; C370-N373 VanDerWaalsContact O-N 3.16Å; C370-S377 PolarHBondContact O-OG 2.97Å; C370-S379 WeakPolarHBondContact CA-OG 3.48Å; C370-N381 CarbonylContact C-O 3.57Å; C370-N381 VanDerWaalsContact CA-O 3.28Å; C370-N381 WeakPolarHBondContact CA-O 3.26Å; C370-N381 VanDerWaalsContact CB-O 3.24Å; C370-N381 WeakPolarHBondContact CB-O 3.01Å; C370-N381 PolarHBondContact SG-O 3.08Å; C370-F382 VanDerWaalsContact SG-C 3.56Å
371	I	88.9	Confident	76.3	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.01	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-45.6	-178	-74.8	165.9	0	0	0	110.3	M249 A346 H347 N373 S379 N381 F382	M249-I371 HydrophobicContact CB-CD1 4.01Å; M249-I371 HydrophobicContact CG-CD1 4.27Å; M249-I371 HydrophobicContact SD-CD1 3.96Å; A346-I371 HydrophobicContact CB-CD1 4.4Å; A346-I371 HydrophobicContact CB-CG2 4.17Å; H347-I371 HydrophobicContact CB-CG2 4.05Å; H347-I371 PolarHBondContact ND1-O 3.22Å; I371-N373 PolarHBondContact O-N 3.47Å; I371-N373 VanDerWaalsContact O-N 3.1Å; I371-S379 WeakPolarHBondContact CG1-O 3.47Å; I371-N381 PolarHBondContact N-O 2.84Å; I371-F382 HydrophobicContact CB-CD1 3.97Å; I371-F382 HydrophobicContact CB-CE1 3.85Å; I371-F382 HydrophobicContact CB-CZ 4.3Å; I371-F382 HydrophobicContact CD1-CD1 4.28Å; I371-F382 HydrophobicContact CD1-CD2 3.75Å; I371-F382 HydrophobicContact CD1-CE1 4.09Å; I371-F382 HydrophobicContact CD1-CE2 3.54Å; I371-F382 HydrophobicContact CD1-CG 4.12Å; I371-F382 HydrophobicContact CD1-CZ 3.71Å; I371-F382 HydrophobicContact CG2-CD1 4.15Å; I371-F382 HydrophobicContact CG2-CE1 3.52Å; I371-F382 HydrophobicContact CG2-CZ 3.87Å
372	M	89.1	Confident	77	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	22.2	-179.3	-55.3	-52.3	-59.6	0	0	113.3	H351 M355 H357 D358 C370 F382	H351-M372 VanDerWaalsContact CE1-CE 3.43Å; H351-M372 WeakPolarHBondContact CE1-CE 3.37Å; M355-M372 HydrophobicContact CB-CE 4.03Å; M355-M372 HydrophobicContact CB-CG 4.02Å; M355-M372 HydrophobicContact CB-SD 4.16Å; M355-M372 HydrophobicContact SD-CG 4.26Å; M355-M372 HydrophobicContact SD-SD 4.34Å; H357-M372 CarbonylContact C-O 3.53Å; H357-M372 WeakPolarHBondContact CA-O 3.48Å; H357-M372 WeakPolarHBondContact CB-O 3.03Å; H357-M372 PolarHBondContact CD2-O 3.22Å; D358-M372 PolarHBondContact N-O 3.09Å; C370-M372 VanDerWaalsContact C-N 3.31Å; C370-M372 PolarHBondContact O-N 3.13Å; M372-F382 HydrophobicContact CG-CD1 4.06Å; M372-F382 HydrophobicContact CG-CE1 4.16Å; M372-F382 HydrophobicContact SD-CD1 4.5Å; M372-F382 HydrophobicContact SD-CE1 3.99Å
373	N	83.4	Confident	77.3	Confident	36 Å²	36	29.5 Å²	29.5	19%	0.193	19%	0.194	C	C	.	.			trans	-71.6	138.1	161.7	-168.6	-98.2	0	0	0	109.7	H347 D359 C370 I371 G375	H347-N373 PolarHBondContact CE1-O 2.89Å; H347-N373 PolarHBondContact ND1-O 3.36Å; D359-N373 VanDerWaalsContact CG-ND2 3.3Å; D359-N373 PolarHBondContact OD1-ND2 3.33Å; D359-N373 PolarHBondContact OD2-ND2 3.48Å; C370-N373 WeakPolarHBondContact O-CB 3.13Å; C370-N373 PolarHBondContact O-N 2.74Å; C370-N373 VanDerWaalsContact O-N 3.16Å; I371-N373 PolarHBondContact O-N 3.47Å; I371-N373 VanDerWaalsContact O-N 3.1Å; N373-G375 VanDerWaalsContact C-N 3.26Å; N373-G375 PolarHBondContact O-N 3.4Å; N373-G375 VanDerWaalsContact O-O 3.04Å; N373-G375 PolarHBondContact OD1-N 2.82Å
374	S	74.4	Confident	77.4	Confident	12 Å²	12	30.4 Å²	30.4	8%	0.084	20%	0.201	C	C	.	.	S	Bend	trans	-66.5	-23.4	179.6	62.2	0	0	0	0	114.3	K174 C175 N179 D359	K174-S374 CarbonylContact C-O 3.55Å; K174-S374 VanDerWaalsContact CA-O 3.26Å; K174-S374 WeakPolarHBondContact CA-O 3.18Å; C175-S374 PolarHBondContact N-O 3.2Å; N179-S374 WeakPolarHBondContact ND2-CB 3.45Å; N179-S374 PolarHBondContact ND2-OG 2.79Å; N179-S374 WeakPolarHBondContact OD1-CB 3.33Å; D359-S374 VanDerWaalsContact OD2-CB 3.23Å; D359-S374 WeakPolarHBondContact OD2-CB 3.33Å; D359-S374 PolarHBondContact OD2-N 3.43Å; D359-S374 PolarHBondContact OD2-OG 3.06Å
375	G	66.3	Low	77.6	Confident	20 Å²	20	27.4 Å²	27.4	21%	0.206	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-77.6	145.9	167.3	0	0	0	0	0	110.2	N373 S377	N373-G375 VanDerWaalsContact C-N 3.26Å; N373-G375 PolarHBondContact O-N 3.4Å; N373-G375 VanDerWaalsContact O-O 3.04Å; N373-G375 PolarHBondContact OD1-N 2.82Å; G375-S377 PolarHBondContact O-N 2.9Å
376	A	65.4	Low	77.9	Confident	32 Å²	32	25.4 Å²	25.4	26%	0.264	17%	0.166	S	C	.	.			trans	-67.8	75.4	173.9	0	0	0	0	0	110.8	L173 G378	L173-A376 HydrophobicContact CB-CB 3.76Å; L173-A376 WeakPolarHBondContact O-CB 3.34Å; L173-A376 PolarHBondContact O-N 2.9Å; A376-G378 VanDerWaalsContact C-N 3.26Å; A376-G378 PolarHBondContact O-N 2.74Å
377	S	64.8	Low	78.8	Confident	13 Å²	13	23.5 Å²	23.5	9%	0.091	15%	0.145	C	C	.	.			trans	-71.9	-18.4	-162	68.5	0	0	0	0	114.1	K170 S369 C370 G375 S379	K170-S377 WeakPolarHBondContact CD-O 3.4Å; K170-S377 WeakPolarHBondContact CE-O 3.28Å; K170-S377 PolarHBondContact NZ-O 2.87Å; S369-S377 WeakPolarHBondContact OG-CB 3.4Å; C370-S377 PolarHBondContact O-OG 2.97Å; G375-S377 PolarHBondContact O-N 2.9Å; S377-S379 PolarHBondContact O-N 3.08Å; S377-S379 VanDerWaalsContact OG-CB 3.3Å; S377-S379 WeakPolarHBondContact OG-CB 3.5Å; S377-S379 PolarHBondContact OG-N 3.33Å; S377-S379 VanDerWaalsContact OG-N 3.15Å
378	G	67.7	Low	79.3	Confident	9 Å²	9	25.5 Å²	25.5	9%	0.093	15%	0.147	C	C	.	.			trans	69.4	11.8	-170	0	0	0	0	0	113.5	S343 A376 R380	S343-G378 WeakPolarHBondContact OG-CA 3.47Å; A376-G378 VanDerWaalsContact C-N 3.26Å; A376-G378 PolarHBondContact O-N 2.74Å; G378-R380 PolarHBondContact O-NH1 2.73Å; G378-R380 PolarHBondContact O-NH2 3.36Å
379	S	76.5	Confident	79.9	Confident	10 Å²	10	17.6 Å²	17.6	7%	0.07	11%	0.113	C	C	.	.			trans	-76.1	146.2	-178.6	-170.9	0	0	0	0	113.1	S343 S369 C370 I371 S377	S343-S379 PolarHBondContact OG-O 2.72Å; S369-S379 WeakPolarHBondContact O-CB 3.43Å; S369-S379 PolarHBondContact O-OG 3.04Å; C370-S379 WeakPolarHBondContact CA-OG 3.48Å; I371-S379 WeakPolarHBondContact CG1-O 3.47Å; S377-S379 PolarHBondContact O-N 3.08Å; S377-S379 VanDerWaalsContact OG-CB 3.3Å; S377-S379 WeakPolarHBondContact OG-CB 3.5Å; S377-S379 PolarHBondContact OG-N 3.33Å; S377-S379 VanDerWaalsContact OG-N 3.15Å
380	R	78.4	Confident	80.2	Confident	15 Å²	15	16.4 Å²	16.4	6%	0.057	10%	0.104	C	C	.	.			trans	-107.5	3.1	-178.1	-59.5	-67.6	158.9	-90.1	-5.6	113.5	M249 E339 S343 G378	M249-R380 HydrophobicContact CG-CB 4.39Å; M249-R380 VanDerWaalsContact SD-CD 3.58Å; E339-R380 VanDerWaalsContact O-CZ 3.28Å; E339-R380 PolarHBondContact O-NE 2.9Å; E339-R380 PolarHBondContact O-NH2 2.75Å; S343-R380 PolarHBondContact OG-NH1 3.44Å; G378-R380 PolarHBondContact O-NH1 2.73Å; G378-R380 PolarHBondContact O-NH2 3.36Å
381	N	81	Confident	79.7	Confident	17 Å²	17	18.7 Å²	18.7	9%	0.091	11%	0.114	C	C	.	.			trans	-117.1	134.2	-175	-65.6	52.6	0	0	0	110.2	H141 M252 C370 I371	H141-N381 VanDerWaalsContact CE1-CG 3.47Å; H141-N381 PolarHBondContact CE1-ND2 3.31Å; H141-N381 PolarHBondContact CE1-OD1 3.45Å; H141-N381 PolarHBondContact ND1-OD1 2.81Å; H141-N381 PolarHBondContact NE2-ND2 3.12Å; M252-N381 HydrophobicContact CE-CB 4.36Å; M252-N381 HydrophobicContact SD-CB 4.26Å; C370-N381 CarbonylContact C-O 3.57Å; C370-N381 VanDerWaalsContact CA-O 3.28Å; C370-N381 WeakPolarHBondContact CA-O 3.26Å; C370-N381 VanDerWaalsContact CB-O 3.24Å; C370-N381 WeakPolarHBondContact CB-O 3.01Å; C370-N381 PolarHBondContact SG-O 3.08Å; I371-N381 PolarHBondContact N-O 2.84Å
382	F	86.8	Confident	78.7	Confident	4 Å²	4	22.8 Å²	22.8	2%	0.018	13%	0.132	C	C	.	.			trans	-74.9	155.4	161.4	-70	-76.3	0	0	0	110.4	M249 Y250 M252 L253 M355 C370 I371 M372	M249-F382 HydrophobicContact CB-CE2 4.5Å; Y250-F382 AromaticContact CD1-CE2 3.91Å; Y250-F382 HydrophobicContact CD1-CE2 3.91Å; Y250-F382 HydrophobicContact CD1-CZ 4.17Å; Y250-F382 HydrophobicContact CD2-CE2 4.46Å; Y250-F382 AromaticContact CE1-CE2 3.81Å; Y250-F382 HydrophobicContact CE1-CE2 3.81Å; Y250-F382 AromaticContact CE1-CZ 3.58Å; Y250-F382 HydrophobicContact CE1-CZ 3.58Å; Y250-F382 HydrophobicContact CE2-CE2 4.35Å; Y250-F382 HydrophobicContact CE2-CZ 4.06Å; Y250-F382 HydrophobicContact CG-CE2 4.25Å; Y250-F382 AromaticContact CZ-CZ 3.51Å; M252-F382 HydrophobicContact CE-CB 4.21Å; M252-F382 WeakPolarHBondContact CE-O 3.47Å; M252-F382 HydrophobicContact CG-CD2 4.26Å; M252-F382 HydrophobicContact SD-CB 4.04Å; M252-F382 HydrophobicContact SD-CD2 4.21Å; M252-F382 PolarHBondContact SD-N 2.79Å; L253-F382 HydrophobicContact CD1-CB 4.16Å; L253-F382 HydrophobicContact CD1-CD1 4.2Å; L253-F382 HydrophobicContact CD1-CD2 3.66Å; L253-F382 HydrophobicContact CD1-CE2 4.08Å; L253-F382 HydrophobicContact CD1-CG 3.73Å; L253-F382 HydrophobicContact CD2-CB 4.03Å; L253-F382 HydrophobicContact CD2-CG 4.49Å; L253-F382 HydrophobicContact CG-CB 4.27Å; L253-F382 HydrophobicContact CG-CD2 3.97Å; L253-F382 HydrophobicContact CG-CG 4.21Å; M355-F382 HydrophobicContact CE-CD1 4.46Å; M355-F382 HydrophobicContact CE-CE1 4.18Å; M355-F382 HydrophobicContact SD-CD1 3.59Å; M355-F382 VanDerWaalsContact SD-CD1 3.59Å; M355-F382 HydrophobicContact SD-CE1 3.5Å; M355-F382 WeakPolarHBondContact SD-CE1 3.43Å; M355-F382 HydrophobicContact SD-CZ 4.36Å; C370-F382 VanDerWaalsContact SG-C 3.56Å; I371-F382 HydrophobicContact CB-CD1 3.97Å; I371-F382 HydrophobicContact CB-CE1 3.85Å; I371-F382 HydrophobicContact CB-CZ 4.3Å; I371-F382 HydrophobicContact CD1-CD1 4.28Å; I371-F382 HydrophobicContact CD1-CD2 3.75Å; I371-F382 HydrophobicContact CD1-CE1 4.09Å; I371-F382 HydrophobicContact CD1-CE2 3.54Å; I371-F382 HydrophobicContact CD1-CG 4.12Å; I371-F382 HydrophobicContact CD1-CZ 3.71Å; I371-F382 HydrophobicContact CG2-CD1 4.15Å; I371-F382 HydrophobicContact CG2-CE1 3.52Å; I371-F382 HydrophobicContact CG2-CZ 3.87Å; M372-F382 HydrophobicContact CG-CD1 4.06Å; M372-F382 HydrophobicContact CG-CE1 4.16Å; M372-F382 HydrophobicContact SD-CD1 4.5Å; M372-F382 HydrophobicContact SD-CE1 3.99Å
383	S	87.1	Confident	77.8	Confident	5 Å²	5	24.1 Å²	24.1	4%	0.035	14%	0.139	C	C	.	.			trans	-91	173	177	85.7	0	0	0	0	111.2	D358 S364 C385 S386 A387	D358-S383 WeakPolarHBondContact OD1-CB 3.39Å; D358-S383 PolarHBondContact OD1-OG 3.11Å; S364-S383 WeakPolarHBondContact O-CA 3.49Å; S383-C385 PolarHBondContact O-N 2.91Å; S383-C385 VanDerWaalsContact OG-CB 3.28Å; S383-C385 WeakPolarHBondContact OG-CB 3.28Å; S383-C385 PolarHBondContact OG-N 2.83Å; S383-S386 PolarHBondContact N-OG 3.21Å; S383-S386 PolarHBondContact O-N 3.4Å; S383-S386 PolarHBondContact OG-N 2.89Å; S383-S386 PolarHBondContact OG-OG 2.9Å; S383-A387 PolarHBondContact O-N 3.09Å
384	S	84.9	Confident	76.6	Confident	45 Å²	45	23.1 Å²	23.1	32%	0.315	13%	0.134	S	C	.	.	H	α-helix	trans	-57	-34.5	167.6	58.6	0	0	0	0	112.7	S364 A387 E388	S364-S384 WeakPolarHBondContact CB-OG 2.94Å; S364-S384 PolarHBondContact N-OG 3.16Å; S364-S384 PolarHBondContact O-N 2.72Å; S384-A387 PolarHBondContact O-N 2.78Å; S384-E388 WeakPolarHBondContact O-CG 3.3Å; S384-E388 PolarHBondContact O-N 2.02Å
385	C	86.4	Confident	75.6	Confident	8 Å²	8	28.3 Å²	28.3	5%	0.054	16%	0.16	C	C	.	.	H	α-helix	trans	-67.8	-41.7	178.7	-66.1	0	0	0	0	112.5	C363 S383 A387 E388 D389	C363-C385 WeakPolarHBondContact CA-SG 3.1Å; C363-C385 HydrophobicContact CB-CB 3.92Å; C363-C385 WeakPolarHBondContact CB-SG 3.33Å; C363-C385 WeakPolarHBondContact SG-CB 3.26Å; C363-C385 CovalentContact SG-SG 2.03Å; C363-C385 PolarHBondContact SG-SG 3.3Å; S383-C385 PolarHBondContact O-N 2.91Å; S383-C385 VanDerWaalsContact OG-CB 3.28Å; S383-C385 WeakPolarHBondContact OG-CB 3.28Å; S383-C385 PolarHBondContact OG-N 2.83Å; C385-A387 VanDerWaalsContact C-N 3.32Å; C385-A387 PolarHBondContact O-N 2.03Å; C385-E388 PolarHBondContact O-N 3.27Å; C385-D389 WeakPolarHBondContact O-CB 3.32Å; C385-D389 PolarHBondContact O-N 3.37Å
386	S	86.3	Confident	74.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.1	-37.5	177.8	-15	0	0	0	0	110.9	D358 S383 D389 F390	D358-S386 PolarHBondContact OD1-OG 2.94Å; S383-S386 PolarHBondContact N-OG 3.21Å; S383-S386 PolarHBondContact O-N 3.4Å; S383-S386 PolarHBondContact OG-N 2.89Å; S383-S386 PolarHBondContact OG-OG 2.9Å; S386-D389 PolarHBondContact O-N 3.15Å; S386-F390 PolarHBondContact O-N 2.92Å; S386-F390 VanDerWaalsContact O-N 3.15Å
387	A	84	Confident	73.8	Confident	13 Å²	13	40.1 Å²	40.1	11%	0.107	21%	0.206	C	C	.	.	H	α-helix	trans	-63.8	-47.2	173.9	0	0	0	0	0	112.6	L253 S383 S384 C385 D389 F390 E391	L253-A387 HydrophobicContact CD2-CB 3.6Å; S383-A387 PolarHBondContact O-N 3.09Å; S384-A387 PolarHBondContact O-N 2.78Å; C385-A387 VanDerWaalsContact C-N 3.32Å; C385-A387 PolarHBondContact O-N 2.03Å; A387-D389 VanDerWaalsContact C-N 3.32Å; A387-D389 PolarHBondContact O-N 2.56Å; A387-F390 PolarHBondContact O-N 2.84Å; A387-E391 PolarHBondContact O-N 2.87Å
388	E	80.9	Confident	73	Confident	88 Å²	88	40.5 Å²	40.5	41%	0.411	21%	0.212	S	C	.	.	H	α-helix	trans	-61.1	-38.5	175.6	-75.4	-178	-165.3	0	0	112.9	S384 C385 E391 K392	S384-E388 WeakPolarHBondContact O-CG 3.3Å; S384-E388 PolarHBondContact O-N 2.02Å; C385-E388 PolarHBondContact O-N 3.27Å; E388-E391 PolarHBondContact O-N 3.43Å; E388-K392 WeakPolarHBondContact O-CD 3.48Å; E388-K392 VanDerWaalsContact O-CE 3.28Å; E388-K392 WeakPolarHBondContact O-CE 3.34Å; E388-K392 WeakPolarHBondContact O-CG 3.48Å; E388-K392 PolarHBondContact O-N 3.21Å; E388-K392 IonicContact OE2-NZ 2.72Å; E388-K392 PolarHBondContact OE2-NZ 3.07Å
389	D	82.5	Confident	72.5	Confident	8 Å²	8	40.2 Å²	40.2	4%	0.043	21%	0.21	C	C	.	.	H	α-helix	trans	-68.3	-37.4	-179.4	-70.3	0.3	0	0	0	111.4	N356 R361 C385 S386 A387 K392 L393	N356-D389 PolarHBondContact N-OD2 2.81Å; N356-D389 PolarHBondContact ND2-OD2 3.37Å; R361-D389 IonicContact CZ-OD1 2.72Å; R361-D389 IonicContact CZ-OD2 3.34Å; R361-D389 IonicContact NH1-OD2 2.68Å; R361-D389 PolarHBondContact NH1-OD2 2.89Å; R361-D389 IonicContact NH2-OD1 3.77Å; R361-D389 PolarHBondContact NH2-OD1 2.84Å; R361-D389 IonicContact NH2-OD2 2.74Å; R361-D389 PolarHBondContact NH2-OD2 2.86Å; R361-D389 VanDerWaalsContact NH2-OD2 3.1Å; C385-D389 WeakPolarHBondContact O-CB 3.32Å; C385-D389 PolarHBondContact O-N 3.37Å; S386-D389 PolarHBondContact O-N 3.15Å; A387-D389 VanDerWaalsContact C-N 3.32Å; A387-D389 PolarHBondContact O-N 2.56Å; D389-K392 PolarHBondContact O-N 3.05Å; D389-K392 IonicContact OD1-NZ 2.69Å; D389-K392 PolarHBondContact OD1-NZ 3.49Å; D389-L393 PolarHBondContact O-N 2.95Å
390	F	83.2	Confident	71.8	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.018	23%	0.232	C	C	.	.	H	α-helix	trans	-67.8	-37.3	170.2	179.2	-114.8	0	0	0	113.3	L208 R212 I255 L353 M355 S386 A387 L393 T394 L402	L208-F390 HydrophobicContact CD1-CD1 3.96Å; L208-F390 HydrophobicContact CD1-CE1 3.61Å; L208-F390 HydrophobicContact CD1-CZ 4.34Å; R212-F390 HydrophobicContact CB-CZ 4.18Å; R212-F390 HydrophobicContact CG-CE1 4.32Å; R212-F390 HydrophobicContact CG-CZ 3.98Å; I255-F390 HydrophobicContact CD1-CD1 3.77Å; I255-F390 HydrophobicContact CD1-CD2 4.02Å; I255-F390 HydrophobicContact CD1-CE1 3.43Å; I255-F390 VanDerWaalsContact CD1-CE1 3.43Å; I255-F390 HydrophobicContact CD1-CE2 3.72Å; I255-F390 HydrophobicContact CD1-CG 4.05Å; I255-F390 HydrophobicContact CD1-CZ 3.41Å; I255-F390 VanDerWaalsContact CD1-CZ 3.41Å; I255-F390 HydrophobicContact CG1-CD1 4.28Å; I255-F390 HydrophobicContact CG1-CE1 3.56Å; I255-F390 HydrophobicContact CG1-CE2 4.46Å; I255-F390 HydrophobicContact CG1-CZ 3.67Å; L353-F390 HydrophobicContact CB-CD2 4.17Å; L353-F390 HydrophobicContact CD2-CD2 4.39Å; L353-F390 HydrophobicContact CD2-CE2 3.89Å; L353-F390 WeakPolarHBondContact O-CD2 3.38Å; M355-F390 HydrophobicContact CE-CB 4.23Å; S386-F390 PolarHBondContact O-N 2.92Å; S386-F390 VanDerWaalsContact O-N 3.15Å; A387-F390 PolarHBondContact O-N 2.84Å; F390-L393 PolarHBondContact O-N 2.82Å; F390-T394 PolarHBondContact O-N 3.36Å; F390-T394 VanDerWaalsContact O-N 3.11Å; F390-T394 PolarHBondContact O-OG1 3.01Å; F390-L402 HydrophobicContact CE2-CD1 4.06Å; F390-L402 HydrophobicContact CZ-CD1 4.42Å
391	E	75.1	Confident	71.1	Confident	52 Å²	52	44.8 Å²	44.8	24%	0.243	24%	0.236	C	C	.	.	H	α-helix	trans	-61.4	-45	172.5	-165.1	-174.6	176.1	0	0	110.5	L208 A387 E388 L393 T394 L395	L208-E391 HydrophobicContact CD2-CG 4.24Å; L208-E391 HydrophobicContact CG-CG 4.47Å; A387-E391 PolarHBondContact O-N 2.87Å; E388-E391 PolarHBondContact O-N 3.43Å; E391-L393 PolarHBondContact O-N 3.5Å; E391-T394 PolarHBondContact O-N 3.41Å; E391-L395 HydrophobicContact CG-CD1 3.9Å; E391-L395 HydrophobicContact CG-CG 4.25Å; E391-L395 WeakPolarHBondContact O-CB 3.42Å; E391-L395 VanDerWaalsContact O-CG 3.3Å; E391-L395 WeakPolarHBondContact O-CG 3.21Å; E391-L395 PolarHBondContact O-N 2.87Å
392	K	69.3	Low	70.9	Confident	88 Å²	88	44 Å²	44	38%	0.383	23%	0.231	S	C	.	.	H	α-helix	trans	-58.4	-47	176	-69.3	158.5	-148.3	159	0	111.9	E388 D389 T394 L395 N396	E388-K392 WeakPolarHBondContact O-CD 3.48Å; E388-K392 VanDerWaalsContact O-CE 3.28Å; E388-K392 WeakPolarHBondContact O-CE 3.34Å; E388-K392 WeakPolarHBondContact O-CG 3.48Å; E388-K392 PolarHBondContact O-N 3.21Å; E388-K392 IonicContact OE2-NZ 2.72Å; E388-K392 PolarHBondContact OE2-NZ 3.07Å; D389-K392 PolarHBondContact O-N 3.05Å; D389-K392 IonicContact OD1-NZ 2.69Å; D389-K392 PolarHBondContact OD1-NZ 3.49Å; K392-T394 VanDerWaalsContact C-N 3.31Å; K392-T394 PolarHBondContact O-N 2.77Å; K392-L395 PolarHBondContact O-N 2.82Å; K392-N396 WeakPolarHBondContact O-CB 3.46Å; K392-N396 VanDerWaalsContact O-CG 3.26Å; K392-N396 PolarHBondContact O-N 2.8Å; K392-N396 VanDerWaalsContact O-N 3.09Å; K392-N396 PolarHBondContact O-ND2 3.38Å; K392-N396 VanDerWaalsContact O-ND2 3.13Å
393	L	70.1	Confident	70.1	Confident	27 Å²	27	47 Å²	47	14%	0.141	25%	0.247	C	C	.	.	H	α-helix	trans	-55.7	-47.9	176	177	65.8	0	0	0	111.3	V321 L353 D389 F390 E391 N396 G398	V321-L393 HydrophobicContact CG1-CD2 3.8Å; L353-L393 VanDerWaalsContact C-CD2 3.47Å; L353-L393 WeakPolarHBondContact O-CD2 3.28Å; D389-L393 PolarHBondContact O-N 2.95Å; F390-L393 PolarHBondContact O-N 2.82Å; E391-L393 PolarHBondContact O-N 3.5Å; L393-N396 PolarHBondContact O-N 2.96Å; L393-G398 WeakPolarHBondContact O-CA 3.31Å; L393-G398 PolarHBondContact O-N 2.81Å
394	T	58.2	Low	68.8	Low	16 Å²	16	48.4 Å²	48.4	10%	0.098	26%	0.255	C	S	.	.	H	α-helix	trans	-67.8	-43.4	-177.1	-59.4	0	0	0	0	112.4	L208 F390 E391 K392 N396 K397	L208-T394 HydrophobicContact CD1-CG2 3.78Å; L208-T394 WeakPolarHBondContact CD1-OG1 3.45Å; L208-T394 HydrophobicContact CD2-CG2 3.97Å; F390-T394 PolarHBondContact O-N 3.36Å; F390-T394 VanDerWaalsContact O-N 3.11Å; F390-T394 PolarHBondContact O-OG1 3.01Å; E391-T394 PolarHBondContact O-N 3.41Å; K392-T394 VanDerWaalsContact C-N 3.31Å; K392-T394 PolarHBondContact O-N 2.77Å; T394-N396 VanDerWaalsContact C-N 3.25Å; T394-N396 PolarHBondContact O-N 3.49Å; T394-K397 PolarHBondContact O-N 2.94Å; T394-K397 VanDerWaalsContact O-N 3.15Å
395	L	52.8	Low	67.5	Low	120 Å²	120	50.8 Å²	50.8	63%	0.628	26%	0.262	S	S	*	.	H	α-helix	trans	-64.1	-31.3	178.1	-71.9	174.3	0	0	0	112.2	E391 K392 K397	E391-L395 HydrophobicContact CG-CD1 3.9Å; E391-L395 HydrophobicContact CG-CG 4.25Å; E391-L395 WeakPolarHBondContact O-CB 3.42Å; E391-L395 VanDerWaalsContact O-CG 3.3Å; E391-L395 WeakPolarHBondContact O-CG 3.21Å; E391-L395 PolarHBondContact O-N 2.87Å; K392-L395 PolarHBondContact O-N 2.82Å; L395-K397 PolarHBondContact O-N 2.88Å
396	N	48.8	Very low	65.7	Low	133 Å²	133	51 Å²	51	71%	0.711	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	13.3	176.1	-69.8	-27.6	0	0	0	114	K392 L393 T394 G398	K392-N396 WeakPolarHBondContact O-CB 3.46Å; K392-N396 VanDerWaalsContact O-CG 3.26Å; K392-N396 PolarHBondContact O-N 2.8Å; K392-N396 VanDerWaalsContact O-N 3.09Å; K392-N396 PolarHBondContact O-ND2 3.38Å; K392-N396 VanDerWaalsContact O-ND2 3.13Å; L393-N396 PolarHBondContact O-N 2.96Å; T394-N396 VanDerWaalsContact C-N 3.25Å; T394-N396 PolarHBondContact O-N 3.49Å; N396-G398 PolarHBondContact O-N 2.77Å
397	K	45.1	Very low	63.8	Low	168 Å²	168	55 Å²	55	73%	0.73	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	19.5	-174.7	-46.6	-178.5	-175.2	178.3	0	114.7	T394 L395 N400	T394-K397 PolarHBondContact O-N 2.94Å; T394-K397 VanDerWaalsContact O-N 3.15Å; L395-K397 PolarHBondContact O-N 2.88Å; K397-N400 PolarHBondContact O-ND2 3.21Å
398	G	47.3	Very low	61.7	Low	21 Å²	21	56.7 Å²	56.7	22%	0.216	29%	0.291	C	S	.	.			trans	-73.7	166.9	161	0	0	0	0	0	111	L393 N396 N400	L393-G398 WeakPolarHBondContact O-CA 3.31Å; L393-G398 PolarHBondContact O-N 2.81Å; N396-G398 PolarHBondContact O-N 2.77Å; G398-N400 VanDerWaalsContact C-N 3.33Å; G398-N400 PolarHBondContact O-N 3.38Å
399	G	58.5	Low	59.7	Low	3 Å²	3	55.3 Å²	55.3	3%	0.031	29%	0.287	C	S	.	.			trans	67.4	24.4	172.6	0	0	0	0	0	115.7	R212 C322 C401 L402	R212-G399 PolarHBondContact NH1-O 2.93Å; C322-G399 VanDerWaalsContact SG-CA 3.55Å; G399-C401 VanDerWaalsContact C-N 3.26Å; G399-C401 PolarHBondContact O-N 3.31Å; G399-L402 VanDerWaalsContact O-CB 3.31Å; G399-L402 WeakPolarHBondContact O-CB 3.46Å; G399-L402 WeakPolarHBondContact O-CG 3.17Å; G399-L402 PolarHBondContact O-N 3.08Å
400	N	60.3	Low	57.7	Low	100 Å²	100	56.7 Å²	56.7	54%	0.535	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-66.9	-25.3	-179.3	-62.9	-45.4	0	0	0	113.6	K397 G398 L402	K397-N400 PolarHBondContact O-ND2 3.21Å; G398-N400 VanDerWaalsContact C-N 3.33Å; G398-N400 PolarHBondContact O-N 3.38Å; N400-L402 PolarHBondContact O-N 3.03Å
401	C	64.5	Low	55.6	Low	21 Å²	21	57.5 Å²	57.5	14%	0.142	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-64.4	-28.6	171.5	63.8	0	0	0	0	112.1	D299 C322 G399 L403 N404	D299-C401 WeakPolarHBondContact OD1-CB 3.2Å; D299-C401 PolarHBondContact OD1-SG 3.27Å; C322-C401 WeakPolarHBondContact CA-SG 3.4Å; C322-C401 HydrophobicContact CB-CB 3.75Å; C322-C401 WeakPolarHBondContact CB-SG 3.36Å; C322-C401 WeakPolarHBondContact SG-CB 3.33Å; C322-C401 PolarHBondContact SG-N 2.91Å; C322-C401 CovalentContact SG-SG 2.02Å; C322-C401 PolarHBondContact SG-SG 3.39Å; G399-C401 VanDerWaalsContact C-N 3.26Å; G399-C401 PolarHBondContact O-N 3.31Å; C401-L403 PolarHBondContact O-N 2.84Å; C401-N404 PolarHBondContact O-OD1 2.89Å
402	L	76.3	Confident	53.9	Low	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-74.3	19.6	-174.6	-47.5	177.1	0	0	0	114.2	R212 Y213 V214 D299 V321 L353 F390 G399 N400	R212-L402 VanDerWaalsContact CA-O 3.26Å; R212-L402 WeakPolarHBondContact CA-O 3.4Å; R212-L402 HydrophobicContact CB-CB 4.15Å; R212-L402 WeakPolarHBondContact CD-O 3.42Å; Y213-L402 PolarHBondContact N-O 3.27Å; Y213-L402 VanDerWaalsContact N-O 3.12Å; Y213-L402 WeakPolarHBondContact O-CA 3.29Å; Y213-L402 VanDerWaalsContact O-CB 3.31Å; Y213-L402 WeakPolarHBondContact O-CB 3.41Å; Y213-L402 WeakPolarHBondContact O-CD2 3.38Å; V214-L402 HydrophobicContact CB-CD2 4.46Å; V214-L402 HydrophobicContact CG2-CD2 4.01Å; D299-L402 HydrophobicContact CB-CD2 4.22Å; V321-L402 HydrophobicContact CG1-CD1 4.14Å; V321-L402 HydrophobicContact CG2-CD1 4.22Å; V321-L402 HydrophobicContact CG2-CD2 3.76Å; V321-L402 HydrophobicContact CG2-CG 4.33Å; L353-L402 HydrophobicContact CD2-CD1 3.61Å; F390-L402 HydrophobicContact CE2-CD1 4.06Å; F390-L402 HydrophobicContact CZ-CD1 4.42Å; G399-L402 VanDerWaalsContact O-CB 3.31Å; G399-L402 WeakPolarHBondContact O-CB 3.46Å; G399-L402 WeakPolarHBondContact O-CG 3.17Å; G399-L402 PolarHBondContact O-N 3.08Å; N400-L402 PolarHBondContact O-N 3.03Å
403	L	71.1	Confident	52.5	Low	67 Å²	67	56.2 Å²	56.2	35%	0.351	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-108.6	-26.3	-172.6	-74.6	172.6	0	0	0	113.6	C401	C401-L403 PolarHBondContact O-N 2.84Å
404	N	60	Low	51.1	Low	35 Å²	35	59.2 Å²	59.2	19%	0.187	32%	0.322	C	S	.	.	S	Bend	trans	-81.2	138.3	168.9	60.6	-71	0	0	0	109.4	Y213 E215 C401 P406 E410	Y213-N404 WeakPolarHBondContact CB-O 3.35Å; E215-N404 PolarHBondContact OE1-ND2 3.44Å; C401-N404 PolarHBondContact O-OD1 2.89Å; N404-P406 WeakPolarHBondContact O-CD 3.37Å; N404-E410 PolarHBondContact ND2-OE2 3.12Å
405	I	56.2	Low	50.6	Low	94 Å²	94	61.7 Å²	61.7	48%	0.482	34%	0.338	S	S	.	.			trans	-72.8	119.5	154.8	-46.9	-172.1	0	0	0	103.9	Y213 K407	Y213-I405 HydrophobicContact CD1-CB 4.34Å; Y213-I405 HydrophobicContact CD1-CG1 4.3Å; Y213-I405 HydrophobicContact CD1-CG2 3.97Å; Y213-I405 HydrophobicContact CD2-CG1 4.04Å; Y213-I405 HydrophobicContact CE1-CB 4.26Å; Y213-I405 HydrophobicContact CE1-CD1 4.2Å; Y213-I405 HydrophobicContact CE1-CG1 3.9Å; Y213-I405 HydrophobicContact CE1-CG2 3.8Å; Y213-I405 HydrophobicContact CE2-CD1 4.2Å; Y213-I405 HydrophobicContact CE2-CG1 3.65Å; Y213-I405 HydrophobicContact CG-CG1 4.38Å; I405-K407 PolarHBondContact O-N 2.02Å
406	P	50.1	Low	50.8	Low	12 Å²	12	58 Å²	58	8%	0.078	32%	0.323	C	S	.	.			trans	-57	111.4	174.9	21.6	-32.5	0	0	0	108.8	E215 V258 V260 N404	E215-P406 HydrophobicContact CG-CB 3.89Å; E215-P406 HydrophobicContact CG-CG 4.05Å; V258-P406 HydrophobicContact CB-CG 3.72Å; V258-P406 HydrophobicContact CG1-CG 3.7Å; V258-P406 HydrophobicContact CG2-CG 3.73Å; V260-P406 HydrophobicContact CG1-CB 4.14Å; V260-P406 HydrophobicContact CG1-CG 4.3Å; N404-P406 WeakPolarHBondContact O-CD 3.37Å
407	K	46.3	Very low	51.8	Low	84 Å²	84	54 Å²	54	37%	0.365	30%	0.304	S	S	.	.			trans	-72.6	153.3	176.7	-53.3	-167.8	-161.1	89.3	0	109.5	I405 D409 E410	I405-K407 PolarHBondContact O-N 2.02Å; K407-D409 WeakPolarHBondContact CB-OD1 3.27Å; K407-D409 WeakPolarHBondContact CD-OD2 3.12Å; K407-D409 PolarHBondContact O-N 3.02Å; K407-E410 HydrophobicContact CB-CB 4.1Å; K407-E410 HydrophobicContact CB-CG 3.97Å; K407-E410 HydrophobicContact CD-CG 4.43Å; K407-E410 HydrophobicContact CG-CG 4.06Å; K407-E410 PolarHBondContact N-OE2 3.02Å; K407-E410 IonicContact NZ-OE1 3.63Å; K407-E410 PolarHBondContact NZ-OE1 3.22Å; K407-E410 PolarHBondContact O-N 3.15Å; K407-E410 VanDerWaalsContact O-N 3.08Å
408	P	39.1	Very low	52.8	Low	50 Å²	50	46.8 Å²	46.8	33%	0.325	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-24.5	163.1	-25.8	36.6	0	0	0	113.2	E90 D91	E90-P408 HydrophobicContact CB-CB 3.96Å; E90-P408 HydrophobicContact CB-CG 4.4Å; E90-P408 HydrophobicContact CG-CB 3.89Å; E90-P408 HydrophobicContact CG-CG 3.81Å; D91-P408 WeakPolarHBondContact CB-O 2.97Å; D91-P408 VanDerWaalsContact CG-O 3.26Å
409	D	39.2	Very low	53.4	Low	58 Å²	58	47.1 Å²	47.1	31%	0.31	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	24.1	-178	43.8	-68.8	0	0	0	114.2	K407 S413 N419	K407-D409 WeakPolarHBondContact CB-OD1 3.27Å; K407-D409 WeakPolarHBondContact CD-OD2 3.12Å; K407-D409 PolarHBondContact O-N 3.02Å; D409-S413 PolarHBondContact O-OG 3.26Å; D409-N419 PolarHBondContact O-ND2 3.19Å
410	E	41	Very low	53.4	Low	38 Å²	38	52.8 Å²	52.8	18%	0.178	30%	0.299	C	S	.	.	S	Bend	trans	-120.2	-5.8	177.7	-91.1	179	-178.4	0	0	116.1	N404 K407	N404-E410 PolarHBondContact ND2-OE2 3.12Å; K407-E410 HydrophobicContact CB-CB 4.1Å; K407-E410 HydrophobicContact CB-CG 3.97Å; K407-E410 HydrophobicContact CD-CG 4.43Å; K407-E410 HydrophobicContact CG-CG 4.06Å; K407-E410 PolarHBondContact N-OE2 3.02Å; K407-E410 IonicContact NZ-OE1 3.63Å; K407-E410 PolarHBondContact NZ-OE1 3.22Å; K407-E410 PolarHBondContact O-N 3.15Å; K407-E410 VanDerWaalsContact O-N 3.08Å
411	A	38.1	Very low	52.9	Low	21 Å²	21	51.3 Å²	51.3	17%	0.174	29%	0.29	C	S	.	.	S	Bend	trans	-139.9	-16.2	-179.5	0	0	0	0	0	115.4	D91 R296	D91-A411 VanDerWaalsContact OD2-C 3.27Å; R296-A411 PolarHBondContact NH1-O 3Å
412	Y	38.9	Very low	52.6	Low	99 Å²	99	52.2 Å²	52.2	39%	0.388	30%	0.295	S	S	.	.	S	Bend	trans	-159.8	59.7	158.9	-87.7	-52.3	0	0	0	108.1	D91 V93 Y95 H107 R295 R296 A414	D91-Y412 PolarHBondContact OD2-N 2.85Å; V93-Y412 HydrophobicContact CB-CD2 4.44Å; V93-Y412 HydrophobicContact CB-CE2 4.38Å; V93-Y412 HydrophobicContact CG2-CE2 4.24Å; Y95-Y412 PolarHBondContact OH-OH 3.31Å; H107-Y412 AromaticContact CE1-CD2 3.44Å; H107-Y412 VanDerWaalsContact CE1-CD2 3.44Å; H107-Y412 WeakPolarHBondContact CE1-CD2 3.05Å; H107-Y412 AromaticContact CE1-CE2 3.98Å; H107-Y412 AromaticContact CE1-CG 3.84Å; H107-Y412 AromaticContact NE2-CD2 3.69Å; H107-Y412 AromaticContact NE2-CE2 3.8Å; R295-Y412 PolarHBondContact O-OH 2.73Å; R296-Y412 VanDerWaalsContact NH1-N 3.17Å; Y412-A414 PolarHBondContact O-N 2.7Å
413	S	40.1	Very low	51.7	Low	14 Å²	14	53.3 Å²	53.3	10%	0.098	30%	0.301	C	S	.	.			trans	-45.2	138.5	153	20.3	0	0	0	0	109.9	D409 P415 D423	D409-S413 PolarHBondContact O-OG 3.26Å; S413-P415 WeakPolarHBondContact O-CD 3.31Å; S413-D423 VanDerWaalsContact CB-OD2 3.25Å; S413-D423 WeakPolarHBondContact CB-OD2 3.27Å; S413-D423 VanDerWaalsContact OG-CG 3.22Å; S413-D423 PolarHBondContact OG-OD1 2.76Å; S413-D423 PolarHBondContact OG-OD2 2.85Å
414	A	41.1	Very low	50.7	Low	89 Å²	89	54.7 Å²	54.7	74%	0.736	32%	0.322	S	S	*	.	S	Bend	trans	-63.2	120.3	148.7	0	0	0	0	0	105.4	Y412 S416	Y412-A414 PolarHBondContact O-N 2.7Å; A414-S416 WeakPolarHBondContact O-CA 3.02Å; A414-S416 WeakPolarHBondContact O-CB 3.46Å; A414-S416 PolarHBondContact O-N 3.2Å; A414-S416 VanDerWaalsContact O-N 3.1Å
415	P	47.3	Very low	50.9	Low	68 Å²	68	55.6 Å²	55.6	44%	0.442	34%	0.34	S	S	.	.	S	Bend	trans	-39	111.7	-159.1	-36	34	0	0	0	114.2	S413 D423 A424	S413-P415 WeakPolarHBondContact O-CD 3.31Å; P415-D423 HydrophobicContact CB-CB 3.66Å; P415-D423 HydrophobicContact CG-CB 4.1Å; P415-A424 HydrophobicContact CG-CB 4.48Å; P415-A424 WeakPolarHBondContact CG-O 3.08Å
416	S	56.9	Low	51.9	Low	44 Å²	44	52.4 Å²	52.4	31%	0.308	32%	0.323	S	S	.	.			trans	-116.1	60.4	-152.5	-177.3	0	0	0	0	113.4	A414 G418 N419 D423 E426	A414-S416 WeakPolarHBondContact O-CA 3.02Å; A414-S416 WeakPolarHBondContact O-CB 3.46Å; A414-S416 PolarHBondContact O-N 3.2Å; A414-S416 VanDerWaalsContact O-N 3.1Å; S416-G418 PolarHBondContact O-N 2.8Å; S416-G418 VanDerWaalsContact O-N 3.15Å; S416-N419 PolarHBondContact O-N 3.46Å; S416-D423 PolarHBondContact N-OD2 2.85Å; S416-D423 VanDerWaalsContact N-OD2 3.08Å; S416-E426 PolarHBondContact N-OE1 2.81Å
417	C	70.6	Confident	53.3	Low	47 Å²	47	55.7 Å²	55.7	32%	0.318	34%	0.337	S	S	.	.	S	Bend	trans	-35.4	115	-178.7	-178.5	0	0	0	0	115.8	E426 C447	C417-E426 VanDerWaalsContact CA-OE1 3.24Å; C417-E426 WeakPolarHBondContact CA-OE1 3.15Å; C417-E426 PolarHBondContact N-OE1 2.72Å; C417-C447 WeakPolarHBondContact CA-SG 3.44Å; C417-C447 HydrophobicContact CB-CB 3.52Å; C417-C447 WeakPolarHBondContact CB-SG 3.47Å; C417-C447 VanDerWaalsContact SG-CA 3.6Å; C417-C447 WeakPolarHBondContact SG-CB 3.35Å; C417-C447 PolarHBondContact SG-N 2.8Å; C417-C447 CovalentContact SG-SG 2.04Å; C417-C447 PolarHBondContact SG-SG 2.88Å
418	G	65.6	Low	54.7	Low	17 Å²	17	51.7 Å²	51.7	18%	0.175	32%	0.32	C	S	.	.	S	Bend	trans	112.5	15	177	0	0	0	0	0	114.7	S416 D429 G431 T432	S416-G418 PolarHBondContact O-N 2.8Å; S416-G418 VanDerWaalsContact O-N 3.15Å; G418-D429 WeakPolarHBondContact CA-OD1 3.17Å; G418-D429 VanDerWaalsContact CA-OD2 3.3Å; G418-D429 WeakPolarHBondContact CA-OD2 3.11Å; G418-D429 PolarHBondContact N-OD2 3.03Å; G418-G431 VanDerWaalsContact CA-C 3.45Å; G418-G431 WeakPolarHBondContact CA-O 3.36Å; G418-G431 CarbonylContact O-C 3.49Å; G418-T432 PolarHBondContact O-N 3.26Å
419	N	59.6	Low	56.5	Low	29 Å²	29	50.3 Å²	50.3	16%	0.155	31%	0.31	C	S	.	.	S	Bend	trans	-93.4	-6.6	177.9	70.2	8.1	0	0	0	113.6	D409 S416 L421 D423 D429	D409-N419 PolarHBondContact O-ND2 3.19Å; S416-N419 PolarHBondContact O-N 3.46Å; N419-L421 WeakPolarHBondContact OD1-CA 2.94Å; N419-L421 WeakPolarHBondContact OD1-CB 3.45Å; N419-L421 PolarHBondContact OD1-N 2.91Å; N419-L421 PolarHBondContact OD1-O 3.5Å; N419-D423 PolarHBondContact ND2-OD2 3.19Å; N419-D429 PolarHBondContact N-OD2 3.41Å; N419-D429 PolarHBondContact OD1-OD2 3.24Å; N419-D429 VanDerWaalsContact OD1-OD2 3.13Å
420	K	59.2	Low	58.3	Low	122 Å²	122	48.6 Å²	48.6	53%	0.53	30%	0.302	S	S	.	.	S	Bend	trans	70.5	22.8	-173.8	-55.9	177.8	-176.4	173.2	0	115.1	D429 G431 E435	K420-D429 VanDerWaalsContact CA-OD1 3.28Å; K420-D429 WeakPolarHBondContact CA-OD1 3.33Å; K420-D429 PolarHBondContact N-OD1 3.28Å; K420-D429 PolarHBondContact N-OD2 3.48Å; K420-G431 VanDerWaalsContact CE-CA 3.44Å; K420-E435 WeakPolarHBondContact CE-OE1 3.35Å; K420-E435 IonicContact NZ-OE1 3.42Å; K420-E435 PolarHBondContact NZ-OE1 3.45Å; K420-E435 IonicContact NZ-OE2 3.25Å
421	L	50	Low	59.9	Low	68 Å²	68	46.8 Å²	46.8	36%	0.356	29%	0.294	S	S	.	.	S	Bend	trans	-125.7	138.3	170.7	-177.5	65.4	0	0	0	107.6	N419 D423 D429	N419-L421 WeakPolarHBondContact OD1-CA 2.94Å; N419-L421 WeakPolarHBondContact OD1-CB 3.45Å; N419-L421 PolarHBondContact OD1-N 2.91Å; N419-L421 PolarHBondContact OD1-O 3.5Å; L421-D423 PolarHBondContact O-N 3.19Å; L421-D429 WeakPolarHBondContact O-CB 3.22Å
422	V	58.2	Low	62	Low	40 Å²	40	49 Å²	49	24%	0.242	31%	0.305	C	S	.	.			trans	-90.1	102.8	-179.4	-174.8	0	0	0	0	109.1	E426 D429 Y457	V422-E426 HydrophobicContact CG1-CB 3.99Å; V422-D429 HydrophobicContact CG2-CB 4.26Å; V422-Y457 HydrophobicContact CB-CE1 4.39Å; V422-Y457 WeakPolarHBondContact CB-OH 3.37Å; V422-Y457 HydrophobicContact CG2-CD1 4.3Å; V422-Y457 HydrophobicContact CG2-CE1 3.53Å; V422-Y457 HydrophobicContact CG2-CE2 4.31Å; V422-Y457 WeakPolarHBondContact CG2-OH 3.03Å
423	D	58.2	Low	64.2	Low	23 Å²	23	48.1 Å²	48.1	12%	0.123	31%	0.312	C	S	.	.			trans	-84.2	171.5	-174.8	-74.4	-29.8	0	0	0	112.9	S413 P415 S416 N419 L421 G425 E426	S413-D423 VanDerWaalsContact CB-OD2 3.25Å; S413-D423 WeakPolarHBondContact CB-OD2 3.27Å; S413-D423 VanDerWaalsContact OG-CG 3.22Å; S413-D423 PolarHBondContact OG-OD1 2.76Å; S413-D423 PolarHBondContact OG-OD2 2.85Å; P415-D423 HydrophobicContact CB-CB 3.66Å; P415-D423 HydrophobicContact CG-CB 4.1Å; S416-D423 PolarHBondContact N-OD2 2.85Å; S416-D423 VanDerWaalsContact N-OD2 3.08Å; N419-D423 PolarHBondContact ND2-OD2 3.19Å; L421-D423 PolarHBondContact O-N 3.19Å; D423-G425 PolarHBondContact O-N 2.97Å; D423-E426 WeakPolarHBondContact CB-OE2 3.45Å; D423-E426 PolarHBondContact N-OE2 2.86Å; D423-E426 PolarHBondContact O-N 3.29Å
424	A	49.2	Very low	66.3	Low	97 Å²	97	54.8 Å²	54.8	80%	0.802	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	83.4	-171.8	0	0	0	0	0	113.9	P415	P415-A424 HydrophobicContact CG-CB 4.48Å; P415-A424 WeakPolarHBondContact CG-O 3.08Å
425	G	64.9	Low	68.2	Low	54 Å²	54	54.5 Å²	54.5	56%	0.557	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	140.6	-14.1	-179.2	0	0	0	0	0	113.1	D423 K448	D423-G425 PolarHBondContact O-N 2.97Å; G425-K448 PolarHBondContact O-NZ 2.87Å
426	E	77.2	Confident	70	Confident	26 Å²	26	51.5 Å²	51.5	12%	0.121	30%	0.303	C	S	.	.			trans	-86	168.5	173.8	-64.3	169.5	171.6	0	0	110.5	S416 C417 V422 D423 C447	S416-E426 PolarHBondContact N-OE1 2.81Å; C417-E426 VanDerWaalsContact CA-OE1 3.24Å; C417-E426 WeakPolarHBondContact CA-OE1 3.15Å; C417-E426 PolarHBondContact N-OE1 2.72Å; V422-E426 HydrophobicContact CG1-CB 3.99Å; D423-E426 WeakPolarHBondContact CB-OE2 3.45Å; D423-E426 PolarHBondContact N-OE2 2.86Å; D423-E426 PolarHBondContact O-N 3.29Å; E426-C447 WeakPolarHBondContact CA-O 3.14Å; E426-C447 HydrophobicContact CB-CB 4.03Å; E426-C447 HydrophobicContact CG-CB 3.7Å
427	E	78.1	Confident	71.4	Confident	81 Å²	81	56.6 Å²	56.6	38%	0.379	32%	0.322	S	S	.	.	S	Bend	trans	-121.1	-19.7	176.5	-68.2	150.7	-159.4	0	0	112	C447 K448 L449	E427-C447 PolarHBondContact N-O 3.37Å; E427-K448 HydrophobicContact CG-CD 4.12Å; E427-K448 VanDerWaalsContact OE1-CD 3.22Å; E427-K448 WeakPolarHBondContact OE1-CD 3.47Å; E427-K448 WeakPolarHBondContact OE1-CE 3.05Å; E427-K448 IonicContact OE1-NZ 2.73Å; E427-K448 PolarHBondContact OE1-NZ 2.04Å; E427-K448 WeakPolarHBondContact OE2-CD 3.39Å; E427-L449 HydrophobicContact CB-CD1 4.15Å; E427-L449 HydrophobicContact CB-CG 3.87Å; E427-L449 PolarHBondContact OE2-N 3.44Å
428	C	76.8	Confident	72.1	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	35%	0.345	C	S	.	.			trans	-164.1	152.4	-179.6	60.9	0	0	0	0	109.9	C442 C447 K448 L449 A456	C428-C442 HydrophobicContact CB-CB 3.66Å; C428-C442 WeakPolarHBondContact CB-SG 3.45Å; C428-C442 PolarHBondContact O-SG 2.83Å; C428-C442 WeakPolarHBondContact SG-CA 3.18Å; C428-C442 WeakPolarHBondContact SG-CB 3.4Å; C428-C442 CovalentContact SG-SG 2.03Å; C428-C442 PolarHBondContact SG-SG 2.92Å; C428-C447 PolarHBondContact N-O 2.85Å; C428-C447 CarbonylContact O-C 3.55Å; C428-C447 VanDerWaalsContact O-CA 3.25Å; C428-C447 WeakPolarHBondContact O-CA 3.46Å; C428-C447 WeakPolarHBondContact O-CB 3.09Å; C428-K448 PolarHBondContact SG-O 3.22Å; C428-L449 HydrophobicContact CB-CD2 4.11Å; C428-A456 HydrophobicContact CB-CB 3.49Å; C428-A456 VanDerWaalsContact CB-CB 3.49Å
429	D	76.6	Confident	73	Confident	22 Å²	22	62.8 Å²	62.8	12%	0.118	35%	0.347	C	S	.	.			trans	-143.1	124.3	169	-171.7	-37.3	0	0	0	108.9	G418 N419 K420 L421 V422 G431	G418-D429 WeakPolarHBondContact CA-OD1 3.17Å; G418-D429 VanDerWaalsContact CA-OD2 3.3Å; G418-D429 WeakPolarHBondContact CA-OD2 3.11Å; G418-D429 PolarHBondContact N-OD2 3.03Å; N419-D429 PolarHBondContact N-OD2 3.41Å; N419-D429 PolarHBondContact OD1-OD2 3.24Å; N419-D429 VanDerWaalsContact OD1-OD2 3.13Å; K420-D429 VanDerWaalsContact CA-OD1 3.28Å; K420-D429 WeakPolarHBondContact CA-OD1 3.33Å; K420-D429 PolarHBondContact N-OD1 3.28Å; K420-D429 PolarHBondContact N-OD2 3.48Å; L421-D429 WeakPolarHBondContact O-CB 3.22Å; V422-D429 HydrophobicContact CG2-CB 4.26Å; D429-G431 WeakPolarHBondContact OD1-CA 3.05Å; D429-G431 PolarHBondContact OD1-N 3.23Å
430	C	77.4	Confident	74.5	Confident	22 Å²	22	65.2 Å²	65.2	15%	0.149	36%	0.364	C	S	.	.			trans	-112.1	3.6	-179.3	39.7	0	0	0	0	113	C436 D439 C442	C430-C436 VanDerWaalsContact CA-SG 3.58Å; C430-C436 HydrophobicContact CB-CB 4.16Å; C430-C436 WeakPolarHBondContact CB-SG 3.46Å; C430-C436 WeakPolarHBondContact SG-CB 3.37Å; C430-C436 CovalentContact SG-SG 2.02Å; C430-C436 PolarHBondContact SG-SG 2.99Å; C430-D439 HydrophobicContact CB-CB 3.64Å; C430-D439 WeakPolarHBondContact CB-OD2 3.42Å; C430-C442 HydrophobicContact CB-CB 4.38Å; C430-C442 VanDerWaalsContact SG-CB 3.53Å
431	G	74.8	Confident	76.1	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	34%	0.341	C	S	.	.	S	Bend	trans	103	-160.7	-176.1	0	0	0	0	0	112.9	G418 K420 D429 C436	G418-G431 VanDerWaalsContact CA-C 3.45Å; G418-G431 WeakPolarHBondContact CA-O 3.36Å; G418-G431 CarbonylContact O-C 3.49Å; K420-G431 VanDerWaalsContact CE-CA 3.44Å; D429-G431 WeakPolarHBondContact OD1-CA 3.05Å; D429-G431 PolarHBondContact OD1-N 3.23Å; G431-C436 PolarHBondContact O-SG 3.24Å
432	T	82.3	Confident	78.1	Confident	68 Å²	68	56.6 Å²	56.6	42%	0.417	33%	0.325	S	S	.	.	S	Bend	trans	-56.5	153.8	-178.2	60.6	0	0	0	0	111.2	G418 K434 E435 C436	G418-T432 PolarHBondContact O-N 3.26Å; T432-K434 PolarHBondContact O-N 3.2Å; T432-E435 WeakPolarHBondContact CB-OE2 3.11Å; T432-E435 PolarHBondContact N-OE2 2.63Å; T432-E435 WeakPolarHBondContact O-CA 3.38Å; T432-E435 WeakPolarHBondContact O-CB 3.03Å; T432-E435 PolarHBondContact O-N 3.5Å; T432-E435 WeakPolarHBondContact OG1-CG 3.46Å; T432-E435 PolarHBondContact OG1-OE2 2.84Å; T432-C436 PolarHBondContact O-N 2.83Å; T432-C436 VanDerWaalsContact O-N 3.08Å
433	P	84.7	Confident	79.8	Confident	80 Å²	80	59 Å²	59	52%	0.519	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-31	-176.7	-27.1	27.1	0	0	0	114.8	E437 G444	P433-E437 PolarHBondContact O-N 2.91Å; P433-G444 VanDerWaalsContact CG-O 3.29Å; P433-G444 WeakPolarHBondContact CG-O 3.41Å
434	K	84.5	Confident	81.1	Confident	154 Å²	154	58.1 Å²	58.1	67%	0.67	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-29.8	177.7	-174.9	177.7	178.3	-173.9	0	114.3	T432 E437	T432-K434 PolarHBondContact O-N 3.2Å; K434-E437 WeakPolarHBondContact O-CB 3.49Å
435	E	80.1	Confident	82.8	Confident	82 Å²	82	57.7 Å²	57.7	38%	0.383	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-39.4	171.7	-66.8	169.9	112.2	0	0	109.7	K420 T432 E437 L438	K420-E435 WeakPolarHBondContact CE-OE1 3.35Å; K420-E435 IonicContact NZ-OE1 3.42Å; K420-E435 PolarHBondContact NZ-OE1 3.45Å; K420-E435 IonicContact NZ-OE2 3.25Å; T432-E435 WeakPolarHBondContact CB-OE2 3.11Å; T432-E435 PolarHBondContact N-OE2 2.63Å; T432-E435 WeakPolarHBondContact O-CA 3.38Å; T432-E435 WeakPolarHBondContact O-CB 3.03Å; T432-E435 PolarHBondContact O-N 3.5Å; T432-E435 WeakPolarHBondContact OG1-CG 3.46Å; T432-E435 PolarHBondContact OG1-OE2 2.84Å; E435-E437 PolarHBondContact O-N 3.02Å; E435-L438 WeakPolarHBondContact O-CB 3.46Å; E435-L438 PolarHBondContact O-N 2.89Å; E435-L438 VanDerWaalsContact O-N 3.07Å
436	C	86.1	Confident	84	Confident	6 Å²	6	58.1 Å²	58.1	4%	0.041	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-10.2	172.6	-65.8	0	0	0	0	115.3	C430 G431 T432 L438 D439 G444	C430-C436 VanDerWaalsContact CA-SG 3.58Å; C430-C436 HydrophobicContact CB-CB 4.16Å; C430-C436 WeakPolarHBondContact CB-SG 3.46Å; C430-C436 WeakPolarHBondContact SG-CB 3.37Å; C430-C436 CovalentContact SG-SG 2.02Å; C430-C436 PolarHBondContact SG-SG 2.99Å; G431-C436 PolarHBondContact O-SG 3.24Å; T432-C436 PolarHBondContact O-N 2.83Å; T432-C436 VanDerWaalsContact O-N 3.08Å; C436-L438 PolarHBondContact O-N 2.94Å; C436-D439 PolarHBondContact O-N 2.83Å; C436-G444 WeakPolarHBondContact SG-CA 3.42Å
437	E	86.1	Confident	84.5	Confident	150 Å²	150	56.9 Å²	56.9	70%	0.701	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.7	165.9	-71.3	173.4	-154.5	0	0	111.8	P433 K434 E435	P433-E437 PolarHBondContact O-N 2.91Å; K434-E437 WeakPolarHBondContact O-CB 3.49Å; E435-E437 PolarHBondContact O-N 3.02Å
438	L	83.9	Confident	85.2	Confident	156 Å²	156	56.5 Å²	56.5	82%	0.817	31%	0.305	S	S	*	.	S	Bend	trans	-94.1	-16.5	177.6	-57.3	177.4	0	0	0	113.4	E435 C436	E435-L438 WeakPolarHBondContact O-CB 3.46Å; E435-L438 PolarHBondContact O-N 2.89Å; E435-L438 VanDerWaalsContact O-N 3.07Å; C436-L438 PolarHBondContact O-N 2.94Å
439	D	85.8	Confident	85.9	Confident	39 Å²	39	58.3 Å²	58.3	21%	0.209	31%	0.314	C	S	.	.			trans	-80	123.2	178.6	-170	-71.7	0	0	0	109.7	C430 C436 C441 C442 K450	C430-D439 HydrophobicContact CB-CB 3.64Å; C430-D439 WeakPolarHBondContact CB-OD2 3.42Å; C436-D439 PolarHBondContact O-N 2.83Å; D439-C441 VanDerWaalsContact C-N 3.33Å; D439-C441 PolarHBondContact O-N 3.09Å; D439-C441 WeakPolarHBondContact OD1-CA 3.43Å; D439-C441 PolarHBondContact OD1-N 2.77Å; D439-C442 PolarHBondContact OD1-N 2.87Å; D439-K450 PolarHBondContact O-NZ 2.9Å
440	P	90.9	Very high	86.7	Confident	79 Å²	79	60 Å²	60	51%	0.513	32%	0.32	S	S	.	.	S	Bend	trans	-73.2	-25	-178.5	25.3	-28	0	0	0	112.9	K450 F452 C464	P440-K450 VanDerWaalsContact C-NZ 3.29Å; P440-K450 WeakPolarHBondContact O-CD 3.25Å; P440-K450 WeakPolarHBondContact O-CE 3.39Å; P440-K450 PolarHBondContact O-NZ 2.64Å; P440-F452 WeakPolarHBondContact O-CZ 3.36Å; P440-C464 VanDerWaalsContact C-SG 3.53Å
441	C	93.4	Very high	87.2	Confident	8 Å²	8	65.4 Å²	65.4	5%	0.054	36%	0.358	C	S	.	.	S	Bend	trans	-104.6	-34.8	-162.1	-48.1	0	0	0	0	114.5	D439 K450 A453 A456 C464	D439-C441 VanDerWaalsContact C-N 3.33Å; D439-C441 PolarHBondContact O-N 3.09Å; D439-C441 WeakPolarHBondContact OD1-CA 3.43Å; D439-C441 PolarHBondContact OD1-N 2.77Å; C441-K450 WeakPolarHBondContact O-CB 3.32Å; C441-K450 WeakPolarHBondContact O-CG 3.35Å; C441-K450 PolarHBondContact O-N 3.37Å; C441-A453 HydrophobicContact CB-CB 4.31Å; C441-A456 HydrophobicContact CB-CB 3.81Å; C441-C464 WeakPolarHBondContact CA-SG 3.48Å; C441-C464 HydrophobicContact CB-CB 3.61Å; C441-C464 WeakPolarHBondContact CB-SG 3.24Å; C441-C464 PolarHBondContact N-SG 2.81Å; C441-C464 VanDerWaalsContact N-SG 3.38Å; C441-C464 WeakPolarHBondContact SG-CA 3.45Å; C441-C464 WeakPolarHBondContact SG-CB 3.28Å; C441-C464 PolarHBondContact SG-N 3.07Å; C441-C464 VanDerWaalsContact SG-N 3.45Å; C441-C464 CovalentContact SG-SG 2.04Å; C441-C464 PolarHBondContact SG-SG 2.7Å
442	C	91.9	Very high	88	Confident	1 Å²	1	71 Å²	71	1%	0.007	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	139.2	-168.7	-168.5	0	0	0	0	113.1	C428 C430 D439 K450 A456	C428-C442 HydrophobicContact CB-CB 3.66Å; C428-C442 WeakPolarHBondContact CB-SG 3.45Å; C428-C442 PolarHBondContact O-SG 2.83Å; C428-C442 WeakPolarHBondContact SG-CA 3.18Å; C428-C442 WeakPolarHBondContact SG-CB 3.4Å; C428-C442 CovalentContact SG-SG 2.03Å; C428-C442 PolarHBondContact SG-SG 2.92Å; C430-C442 HydrophobicContact CB-CB 4.38Å; C430-C442 VanDerWaalsContact SG-CB 3.53Å; D439-C442 PolarHBondContact OD1-N 2.87Å; C442-K450 WeakPolarHBondContact O-CE 3.3Å; C442-A456 HydrophobicContact CB-CB 4.26Å
443	E	92.8	Very high	88.5	Confident	90 Å²	90	68.5 Å²	68.5	42%	0.421	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	96.4	176	-175.5	176.7	-111.9	0	0	110.8	S445 T446 C447 K448 K450	E443-S445 PolarHBondContact O-N 3.04Å; E443-T446 WeakPolarHBondContact CB-OG1 3.4Å; E443-T446 WeakPolarHBondContact CG-OG1 3.39Å; E443-T446 PolarHBondContact O-N 3.35Å; E443-T446 PolarHBondContact O-OG1 3.26Å; E443-T446 WeakPolarHBondContact OE2-CB 3.5Å; E443-T446 WeakPolarHBondContact OE2-CG2 3.26Å; E443-T446 PolarHBondContact OE2-OG1 2.79Å; E443-C447 PolarHBondContact O-N 3.06Å; E443-K448 PolarHBondContact N-O 2.8Å; E443-K450 HydrophobicContact CB-CG 4.22Å
444	G	85.8	Confident	88.9	Confident	6 Å²	6	68.8 Å²	68.8	6%	0.062	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	6.4	-175.1	0	0	0	0	0	117.7	P433 C436	P433-G444 VanDerWaalsContact CG-O 3.29Å; P433-G444 WeakPolarHBondContact CG-O 3.41Å; C436-G444 WeakPolarHBondContact SG-CA 3.42Å
445	S	86	Confident	88.8	Confident	88 Å²	88	61.5 Å²	61.5	62%	0.615	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-5.5	168.8	52.3	0	0	0	0	113.6	E443	E443-S445 PolarHBondContact O-N 3.04Å
446	T	88.8	Confident	88.6	Confident	62 Å²	62	58.7 Å²	58.7	38%	0.38	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.5	-17.8	-176.2	58.7	0	0	0	0	113.4	E443 K448	E443-T446 WeakPolarHBondContact CB-OG1 3.4Å; E443-T446 WeakPolarHBondContact CG-OG1 3.39Å; E443-T446 PolarHBondContact O-N 3.35Å; E443-T446 PolarHBondContact O-OG1 3.26Å; E443-T446 WeakPolarHBondContact OE2-CB 3.5Å; E443-T446 WeakPolarHBondContact OE2-CG2 3.26Å; E443-T446 PolarHBondContact OE2-OG1 2.79Å; T446-K448 PolarHBondContact O-N 3.37Å
447	C	87.7	Confident	87.8	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	38.9	-175.1	-69.1	0	0	0	0	112.4	C417 E426 E427 C428 E443	C417-C447 WeakPolarHBondContact CA-SG 3.44Å; C417-C447 HydrophobicContact CB-CB 3.52Å; C417-C447 WeakPolarHBondContact CB-SG 3.47Å; C417-C447 VanDerWaalsContact SG-CA 3.6Å; C417-C447 WeakPolarHBondContact SG-CB 3.35Å; C417-C447 PolarHBondContact SG-N 2.8Å; C417-C447 CovalentContact SG-SG 2.04Å; C417-C447 PolarHBondContact SG-SG 2.88Å; E426-C447 WeakPolarHBondContact CA-O 3.14Å; E426-C447 HydrophobicContact CB-CB 4.03Å; E426-C447 HydrophobicContact CG-CB 3.7Å; E427-C447 PolarHBondContact N-O 3.37Å; C428-C447 PolarHBondContact N-O 2.85Å; C428-C447 CarbonylContact O-C 3.55Å; C428-C447 VanDerWaalsContact O-CA 3.25Å; C428-C447 WeakPolarHBondContact O-CA 3.46Å; C428-C447 WeakPolarHBondContact O-CB 3.09Å; E443-C447 PolarHBondContact O-N 3.06Å
448	K	92.4	Very high	86.9	Confident	74 Å²	74	57 Å²	57	32%	0.322	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	150.5	173.1	-66	-59.2	-173.2	-179.4	0	110.2	G425 E427 C428 E443 T446 K450	G425-K448 PolarHBondContact O-NZ 2.87Å; E427-K448 HydrophobicContact CG-CD 4.12Å; E427-K448 VanDerWaalsContact OE1-CD 3.22Å; E427-K448 WeakPolarHBondContact OE1-CD 3.47Å; E427-K448 WeakPolarHBondContact OE1-CE 3.05Å; E427-K448 IonicContact OE1-NZ 2.73Å; E427-K448 PolarHBondContact OE1-NZ 2.04Å; E427-K448 WeakPolarHBondContact OE2-CD 3.39Å; C428-K448 PolarHBondContact SG-O 3.22Å; E443-K448 PolarHBondContact N-O 2.8Å; T446-K448 PolarHBondContact O-N 3.37Å; K448-K450 PolarHBondContact O-N 2.91Å
449	L	91.7	Very high	86.4	Confident	38 Å²	38	54.8 Å²	54.8	20%	0.199	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	136.5	171.3	-69.3	168.7	0	0	0	108.7	E427 C428 A453 A456	E427-L449 HydrophobicContact CB-CD1 4.15Å; E427-L449 HydrophobicContact CB-CG 3.87Å; E427-L449 PolarHBondContact OE2-N 3.44Å; C428-L449 HydrophobicContact CB-CD2 4.11Å; L449-A453 HydrophobicContact CB-CB 4.2Å; L449-A453 HydrophobicContact CD2-CB 4.17Å; L449-A456 HydrophobicContact CD2-CB 3.92Å
450	K	93.3	Very high	86.2	Confident	57 Å²	57	53 Å²	53	25%	0.248	30%	0.299	C	S	.	.			trans	-60.7	151.4	171	-64.6	175.9	-155.4	170.9	0	108.5	D439 P440 C441 C442 E443 K448 F452 A453	D439-K450 PolarHBondContact O-NZ 2.9Å; P440-K450 VanDerWaalsContact C-NZ 3.29Å; P440-K450 WeakPolarHBondContact O-CD 3.25Å; P440-K450 WeakPolarHBondContact O-CE 3.39Å; P440-K450 PolarHBondContact O-NZ 2.64Å; C441-K450 WeakPolarHBondContact O-CB 3.32Å; C441-K450 WeakPolarHBondContact O-CG 3.35Å; C441-K450 PolarHBondContact O-N 3.37Å; C442-K450 WeakPolarHBondContact O-CE 3.3Å; E443-K450 HydrophobicContact CB-CG 4.22Å; K448-K450 PolarHBondContact O-N 2.91Å; K450-F452 HydrophobicContact CB-CD1 4.07Å; K450-F452 HydrophobicContact CB-CE1 3.73Å; K450-F452 HydrophobicContact CB-CZ 4.35Å; K450-F452 HydrophobicContact CD-CE1 4.08Å; K450-F452 HydrophobicContact CD-CZ 4.33Å; K450-F452 PolarHBondContact O-N 2.69Å; K450-A453 WeakPolarHBondContact O-CB 3.48Å; K450-A453 PolarHBondContact O-N 3.03Å
451	S	89.5	Confident	85.8	Confident	136 Å²	136	50.3 Å²	50.3	95%	0.951	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	3.6	-169.2	56.7	0	0	0	0	117.5
452	F	89.8	Confident	85.7	Confident	117 Å²	117	55.7 Å²	55.7	51%	0.513	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-1.3	173.4	68	-92.6	0	0	0	113.7	P440 K450 C464	P440-F452 WeakPolarHBondContact O-CZ 3.36Å; K450-F452 HydrophobicContact CB-CD1 4.07Å; K450-F452 HydrophobicContact CB-CE1 3.73Å; K450-F452 HydrophobicContact CB-CZ 4.35Å; K450-F452 HydrophobicContact CD-CE1 4.08Å; K450-F452 HydrophobicContact CD-CZ 4.33Å; K450-F452 PolarHBondContact O-N 2.69Å; F452-C464 HydrophobicContact CE2-CB 4.19Å
453	A	93.8	Very high	85.7	Confident	16 Å²	16	61.8 Å²	61.8	13%	0.132	34%	0.337	C	S	.	.			trans	-101.6	140.1	-174.4	0	0	0	0	0	111.3	C441 L449 K450 C464	C441-A453 HydrophobicContact CB-CB 4.31Å; L449-A453 HydrophobicContact CB-CB 4.2Å; L449-A453 HydrophobicContact CD2-CB 4.17Å; K450-A453 WeakPolarHBondContact O-CB 3.48Å; K450-A453 PolarHBondContact O-N 3.03Å; A453-C464 CarbonylContact C-O 3.57Å; A453-C464 VanDerWaalsContact CA-O 3.31Å; A453-C464 WeakPolarHBondContact CA-O 3.4Å; A453-C464 HydrophobicContact CB-CB 3.72Å
454	E	91.9	Very high	85.8	Confident	86 Å²	86	57.6 Å²	57.6	40%	0.402	32%	0.317	S	S	.	.	S	Bend	trans	-104.3	-21.1	178.1	-58.7	156.7	-174	0	0	111.2	C464 R465 F466	E454-C464 PolarHBondContact N-O 2.04Å; E454-R465 WeakPolarHBondContact OE2-CA 3.5Å; E454-R465 VanDerWaalsContact OE2-CB 3.31Å; E454-R465 WeakPolarHBondContact OE2-CB 3.25Å; E454-F466 HydrophobicContact CB-CD2 4Å; E454-F466 HydrophobicContact CB-CE2 3.92Å; E454-F466 HydrophobicContact CB-CG 4.4Å; E454-F466 HydrophobicContact CB-CZ 4.25Å; E454-F466 WeakPolarHBondContact O-CE1 3.2Å; E454-F466 VanDerWaalsContact O-CZ 3.24Å; E454-F466 WeakPolarHBondContact O-CZ 3.32Å; E454-F466 PolarHBondContact OE2-N 3.32Å
455	C	82.6	Confident	86.1	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.341	C	S	.	.			trans	-157.5	170	179.4	65.3	0	0	0	0	110.7	C461 R465 F466 Q491	C455-C461 HydrophobicContact CB-CB 3.84Å; C455-C461 WeakPolarHBondContact CB-SG 3.16Å; C455-C461 WeakPolarHBondContact SG-CA 3.26Å; C455-C461 WeakPolarHBondContact SG-CB 3.33Å; C455-C461 CovalentContact SG-SG 2.04Å; C455-C461 PolarHBondContact SG-SG 3.47Å; C455-R465 PolarHBondContact SG-O 3.27Å; C455-F466 HydrophobicContact CB-CD1 3.96Å; C455-F466 HydrophobicContact CB-CE1 3.81Å; C455-Q491 HydrophobicContact CB-CB 3.61Å
456	A	76.3	Confident	86.2	Confident	23 Å²	23	63 Å²	63	19%	0.19	32%	0.324	C	S	.	.	S	Bend	trans	-131.3	-21	170.8	0	0	0	0	0	114.7	C428 C441 C442 L449 C461	C428-A456 HydrophobicContact CB-CB 3.49Å; C428-A456 VanDerWaalsContact CB-CB 3.49Å; C441-A456 HydrophobicContact CB-CB 3.81Å; C442-A456 HydrophobicContact CB-CB 4.26Å; L449-A456 HydrophobicContact CD2-CB 3.92Å; A456-C461 VanDerWaalsContact C-SG 3.58Å; A456-C461 PolarHBondContact N-SG 3.4Å; A456-C461 VanDerWaalsContact N-SG 3.41Å
457	Y	69.9	Low	86.1	Confident	89 Å²	89	61.8 Å²	61.8	35%	0.349	32%	0.315	S	S	.	.	S	Bend	trans	-152	162.9	-171.3	69.1	-73.2	0	0	0	112.4	V422 Q491 F492	V422-Y457 HydrophobicContact CB-CE1 4.39Å; V422-Y457 WeakPolarHBondContact CB-OH 3.37Å; V422-Y457 HydrophobicContact CG2-CD1 4.3Å; V422-Y457 HydrophobicContact CG2-CE1 3.53Å; V422-Y457 HydrophobicContact CG2-CE2 4.31Å; V422-Y457 WeakPolarHBondContact CG2-OH 3.03Å; Y457-Q491 VanDerWaalsContact O-CB 3.27Å; Y457-Q491 WeakPolarHBondContact O-CB 3.27Å; Y457-Q491 VanDerWaalsContact O-CG 3.24Å; Y457-Q491 WeakPolarHBondContact O-CG 3.41Å; Y457-Q491 PolarHBondContact O-OE1 3.29Å; Y457-Q491 PolarHBondContact OH-NE2 3.36Å; Y457-F492 HydrophobicContact CD2-CE1 4.29Å; Y457-F492 AromaticContact CE2-CE1 3.76Å; Y457-F492 HydrophobicContact CE2-CE1 3.76Å; Y457-F492 AromaticContact CE2-CZ 3.74Å; Y457-F492 HydrophobicContact CE2-CZ 3.74Å; Y457-F492 AromaticContact CZ-CZ 3.94Å
458	G	66	Low	86.1	Confident	31 Å²	31	64.3 Å²	64.3	32%	0.32	33%	0.331	S	S	.	.	S	Bend	trans	99.3	159.5	-177.3	0	0	0	0	0	113.4	C460 C461 Q491	G458-C460 PolarHBondContact O-N 2.9Å; G458-C460 VanDerWaalsContact O-N 3.1Å; G458-C461 PolarHBondContact O-N 2.73Å; G458-Q491 CarbonylContact C-O 3.55Å; G458-Q491 WeakPolarHBondContact CA-O 3.02Å
459	D	74.9	Confident	85.8	Confident	111 Å²	111	61.6 Å²	61.6	59%	0.594	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-16.4	-168.5	-42	-79.7	0	0	0	114.1	L467 C473 Q491 C493	D459-L467 WeakPolarHBondContact O-CD1 3.02Å; D459-C473 HydrophobicContact CB-CB 4.21Å; D459-Q491 PolarHBondContact N-O 3.3Å; D459-C493 HydrophobicContact CB-CB 4.35Å
460	C	81.1	Confident	85.4	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	17.3	175	-68	0	0	0	0	113.3	G458 F466 L467 C473 C486 S490 Q491	G458-C460 PolarHBondContact O-N 2.9Å; G458-C460 VanDerWaalsContact O-N 3.1Å; C460-F466 WeakPolarHBondContact O-CA 3.04Å; C460-L467 PolarHBondContact O-N 3.49Å; C460-C473 VanDerWaalsContact SG-SG 3.67Å; C460-C486 WeakPolarHBondContact CA-SG 3.39Å; C460-C486 HydrophobicContact CB-CB 3.74Å; C460-C486 WeakPolarHBondContact CB-SG 3.35Å; C460-C486 WeakPolarHBondContact SG-CA 3.2Å; C460-C486 WeakPolarHBondContact SG-CB 3.41Å; C460-C486 CovalentContact SG-SG 2.03Å; C460-C486 PolarHBondContact SG-SG 2.95Å; C460-S490 VanDerWaalsContact CB-O 3.23Å; C460-S490 WeakPolarHBondContact CB-O 3.31Å; C460-Q491 CarbonylContact C-O 3.31Å; C460-Q491 WeakPolarHBondContact CA-O 3.47Å; C460-Q491 WeakPolarHBondContact CB-O 3.46Å; C460-Q491 PolarHBondContact N-O 3.23Å
461	C	83.1	Confident	85.1	Confident	23 Å²	23	59.9 Å²	59.9	16%	0.155	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.1	169.8	-167.6	0	0	0	0	111.6	C455 A456 G458 Q491	C455-C461 HydrophobicContact CB-CB 3.84Å; C455-C461 WeakPolarHBondContact CB-SG 3.16Å; C455-C461 WeakPolarHBondContact SG-CA 3.26Å; C455-C461 WeakPolarHBondContact SG-CB 3.33Å; C455-C461 CovalentContact SG-SG 2.04Å; C455-C461 PolarHBondContact SG-SG 3.47Å; A456-C461 VanDerWaalsContact C-SG 3.58Å; A456-C461 PolarHBondContact N-SG 3.4Å; A456-C461 VanDerWaalsContact N-SG 3.41Å; G458-C461 PolarHBondContact O-N 2.73Å; C461-Q491 HydrophobicContact CB-CB 4.14Å
462	K	89.9	Confident	85	Confident	122 Å²	122	58 Å²	58	53%	0.53	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	139.9	170.5	-167.7	-170.6	171.7	-163.6	0	111.3	C464 R465 L467	K462-C464 PolarHBondContact O-N 3.39Å; K462-R465 PolarHBondContact N-O 3.33Å; K462-R465 PolarHBondContact O-N 2.7Å; K462-R465 VanDerWaalsContact O-O 3.07Å; K462-L467 HydrophobicContact CB-CD2 3.5Å; K462-L467 VanDerWaalsContact CB-CD2 3.5Å; K462-L467 HydrophobicContact CB-CG 4.01Å; K462-L467 HydrophobicContact CD-CD2 4.09Å; K462-L467 HydrophobicContact CG-CD2 4.42Å
463	D	92.7	Very high	84.5	Confident	128 Å²	128	54 Å²	54	68%	0.684	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	37.3	177.1	-53.4	-39.2	0	0	0	111.8	R465	D463-R465 VanDerWaalsContact C-N 3.32Å; D463-R465 PolarHBondContact O-N 3.41Å
464	C	94	Very high	84	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.02	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	17.4	-177.9	-43.7	0	0	0	0	116.7	P440 C441 F452 A453 E454 K462	P440-C464 VanDerWaalsContact C-SG 3.53Å; C441-C464 WeakPolarHBondContact CA-SG 3.48Å; C441-C464 HydrophobicContact CB-CB 3.61Å; C441-C464 WeakPolarHBondContact CB-SG 3.24Å; C441-C464 PolarHBondContact N-SG 2.81Å; C441-C464 VanDerWaalsContact N-SG 3.38Å; C441-C464 WeakPolarHBondContact SG-CA 3.45Å; C441-C464 WeakPolarHBondContact SG-CB 3.28Å; C441-C464 PolarHBondContact SG-N 3.07Å; C441-C464 VanDerWaalsContact SG-N 3.45Å; C441-C464 CovalentContact SG-SG 2.04Å; C441-C464 PolarHBondContact SG-SG 2.7Å; F452-C464 HydrophobicContact CE2-CB 4.19Å; A453-C464 CarbonylContact C-O 3.57Å; A453-C464 VanDerWaalsContact CA-O 3.31Å; A453-C464 WeakPolarHBondContact CA-O 3.4Å; A453-C464 HydrophobicContact CB-CB 3.72Å; E454-C464 PolarHBondContact N-O 2.04Å; K462-C464 PolarHBondContact O-N 3.39Å
465	R	93.6	Very high	83.5	Confident	147 Å²	147	53.4 Å²	53.4	56%	0.555	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.6	154.8	179.6	-65.6	-169.4	179.9	-175	-3.5	112.2	E454 C455 K462 D463 L467	E454-R465 WeakPolarHBondContact OE2-CA 3.5Å; E454-R465 VanDerWaalsContact OE2-CB 3.31Å; E454-R465 WeakPolarHBondContact OE2-CB 3.25Å; C455-R465 PolarHBondContact SG-O 3.27Å; K462-R465 PolarHBondContact N-O 3.33Å; K462-R465 PolarHBondContact O-N 2.7Å; K462-R465 VanDerWaalsContact O-O 3.07Å; D463-R465 VanDerWaalsContact C-N 3.32Å; D463-R465 PolarHBondContact O-N 3.41Å; R465-L467 PolarHBondContact O-N 3.44Å
466	F	87.3	Confident	83.4	Confident	61 Å²	61	59.9 Å²	59.9	27%	0.268	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	133.7	170.1	-59.7	-50.6	0	0	0	109	E454 C455 C460 S490 Q491	E454-F466 HydrophobicContact CB-CD2 4Å; E454-F466 HydrophobicContact CB-CE2 3.92Å; E454-F466 HydrophobicContact CB-CG 4.4Å; E454-F466 HydrophobicContact CB-CZ 4.25Å; E454-F466 WeakPolarHBondContact O-CE1 3.2Å; E454-F466 VanDerWaalsContact O-CZ 3.24Å; E454-F466 WeakPolarHBondContact O-CZ 3.32Å; E454-F466 PolarHBondContact OE2-N 3.32Å; C455-F466 HydrophobicContact CB-CD1 3.96Å; C455-F466 HydrophobicContact CB-CE1 3.81Å; C460-F466 WeakPolarHBondContact O-CA 3.04Å; F466-S490 VanDerWaalsContact CD1-C 3.41Å; F466-Q491 HydrophobicContact CD1-CB 4.16Å; F466-Q491 HydrophobicContact CE1-CB 3.99Å
467	L	86.8	Confident	83.2	Confident	36 Å²	36	63.9 Å²	63.9	19%	0.188	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-61.4	134.3	167.3	-73.8	179.4	0	0	0	108.2	D459 C460 K462 R465 T471 C486	D459-L467 WeakPolarHBondContact O-CD1 3.02Å; C460-L467 PolarHBondContact O-N 3.49Å; K462-L467 HydrophobicContact CB-CD2 3.5Å; K462-L467 VanDerWaalsContact CB-CD2 3.5Å; K462-L467 HydrophobicContact CB-CG 4.01Å; K462-L467 HydrophobicContact CD-CD2 4.09Å; K462-L467 HydrophobicContact CG-CD2 4.42Å; R465-L467 PolarHBondContact O-N 3.44Å; L467-T471 HydrophobicContact CB-CG2 4.06Å; L467-T471 HydrophobicContact CD1-CG2 3.84Å; L467-T471 HydrophobicContact CD2-CG2 4.48Å; L467-T471 HydrophobicContact CG-CG2 4.35Å; L467-C486 HydrophobicContact CB-CB 4.26Å
468	P	87.4	Confident	83.6	Confident	52 Å²	52	60.8 Å²	60.8	34%	0.338	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-60.8	156.1	-172.8	24.8	-33.9	0	0	0	111	G470 T471 E690	P468-G470 PolarHBondContact O-N 2.94Å; P468-T471 WeakPolarHBondContact CD-OG1 3.28Å; P468-T471 WeakPolarHBondContact O-CB 3.33Å; P468-T471 PolarHBondContact O-N 3.48Å; P468-T471 VanDerWaalsContact O-N 3.07Å; P468-T471 PolarHBondContact O-OG1 3.27Å; P468-E690 HydrophobicContact CB-CG 4.4Å; P468-E690 WeakPolarHBondContact CB-OE2 3.34Å
469	G	85.4	Confident	84.8	Confident	17 Å²	17	63.6 Å²	63.6	18%	0.175	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46	136.6	176	0	0	0	0	0	111.2	T471 C486 Y688	G469-T471 VanDerWaalsContact C-N 3.32Å; G469-T471 PolarHBondContact O-N 2.61Å; G469-C486 CarbonylContact C-O 3.38Å; G469-C486 VanDerWaalsContact CA-O 3.32Å; G469-C486 WeakPolarHBondContact CA-O 3.47Å; G469-Y688 WeakPolarHBondContact O-CB 3.24Å
470	G	84.1	Confident	85.3	Confident	17 Å²	17	58.3 Å²	58.3	18%	0.175	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	2.9	-179.6	0	0	0	0	0	116	P468 L472 Y485 C486 P686	P468-G470 PolarHBondContact O-N 2.94Å; G470-L472 PolarHBondContact O-N 2.97Å; G470-Y485 VanDerWaalsContact O-CD1 3.28Å; G470-Y485 WeakPolarHBondContact O-CD1 3.4Å; G470-C486 PolarHBondContact N-O 3.05Å; G470-P686 WeakPolarHBondContact CA-O 3.4Å; G470-P686 PolarHBondContact N-O 3.39Å
471	T	87.4	Confident	85.5	Confident	42 Å²	42	58.7 Å²	58.7	26%	0.258	31%	0.312	S	S	.	.			trans	-70.3	122.4	170.5	-54.8	0	0	0	0	109.6	L467 P468 G469 C473 Y485 C486	L467-T471 HydrophobicContact CB-CG2 4.06Å; L467-T471 HydrophobicContact CD1-CG2 3.84Å; L467-T471 HydrophobicContact CD2-CG2 4.48Å; L467-T471 HydrophobicContact CG-CG2 4.35Å; P468-T471 WeakPolarHBondContact CD-OG1 3.28Å; P468-T471 WeakPolarHBondContact O-CB 3.33Å; P468-T471 PolarHBondContact O-N 3.48Å; P468-T471 VanDerWaalsContact O-N 3.07Å; P468-T471 PolarHBondContact O-OG1 3.27Å; G469-T471 VanDerWaalsContact C-N 3.32Å; G469-T471 PolarHBondContact O-N 2.61Å; T471-C473 PolarHBondContact O-N 2.92Å; T471-Y485 CarbonylContact O-C 3.52Å; T471-Y485 VanDerWaalsContact O-CA 3.3Å; T471-Y485 WeakPolarHBondContact O-CA 3.21Å; T471-C486 PolarHBondContact O-N 3.25Å; T471-C486 PolarHBondContact O-SG 2.92Å; T471-C486 VanDerWaalsContact O-SG 3.4Å
472	L	87.9	Confident	85.8	Confident	98 Å²	98	57.9 Å²	57.9	51%	0.513	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	121.4	179.9	-177.3	73.1	0	0	0	110.7	G470 R474 P483 Y485	G470-L472 PolarHBondContact O-N 2.97Å; L472-R474 VanDerWaalsContact CD1-O 3.3Å; L472-R474 WeakPolarHBondContact CD1-O 3.46Å; L472-P483 HydrophobicContact CD1-CB 3.5Å; L472-Y485 HydrophobicContact CB-CD1 4.22Å; L472-Y485 HydrophobicContact CB-CE1 4.15Å; L472-Y485 HydrophobicContact CD1-CD1 4.14Å; L472-Y485 HydrophobicContact CD1-CE1 3.69Å
473	C	78.2	Confident	85.7	Confident	31 Å²	31	53.1 Å²	53.1	21%	0.209	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-35	178.3	54.6	0	0	0	0	113.2	D459 C460 T471 E484 C493	D459-C473 HydrophobicContact CB-CB 4.21Å; C460-C473 VanDerWaalsContact SG-SG 3.67Å; T471-C473 PolarHBondContact O-N 2.92Å; C473-E484 PolarHBondContact N-O 2.77Å; C473-E484 PolarHBondContact SG-O 3.27Å; C473-E484 VanDerWaalsContact SG-O 3.34Å; C473-C493 HydrophobicContact CB-CB 3.65Å; C473-C493 WeakPolarHBondContact CB-SG 3.28Å; C473-C493 WeakPolarHBondContact SG-CA 3.17Å; C473-C493 WeakPolarHBondContact SG-CB 3.18Å; C473-C493 CovalentContact SG-SG 2.03Å; C473-C493 PolarHBondContact SG-SG 3.32Å
474	R	82.6	Confident	85.4	Confident	50 Å²	50	47 Å²	47	19%	0.189	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125	165.8	-163.6	-172.8	68.1	111	12.7	109.8	L472 D481 V482 P483 E484 D496	L472-R474 VanDerWaalsContact CD1-O 3.3Å; L472-R474 WeakPolarHBondContact CD1-O 3.46Å; R474-D481 IonicContact CZ-OD1 2.77Å; R474-D481 IonicContact CZ-OD2 3.14Å; R474-D481 IonicContact NH1-OD1 2.68Å; R474-D481 PolarHBondContact NH1-OD1 2.94Å; R474-D481 IonicContact NH1-OD2 3.41Å; R474-D481 PolarHBondContact NH1-OD2 3.19Å; R474-D481 VanDerWaalsContact NH1-OD2 3.12Å; R474-D481 IonicContact NH2-OD1 3.27Å; R474-D481 PolarHBondContact NH2-OD1 2.93Å; R474-D481 IonicContact NH2-OD2 3.54Å; R474-V482 PolarHBondContact NH2-O 3.2Å; R474-P483 WeakPolarHBondContact O-CA 3.4Å; R474-E484 HydrophobicContact CB-CB 4.19Å; R474-E484 IonicContact CZ-OE2 2.68Å; R474-E484 PolarHBondContact N-O 2.77Å; R474-E484 IonicContact NE-OE2 2.72Å; R474-E484 PolarHBondContact NE-OE2 3.44Å; R474-E484 IonicContact NH2-OE1 2.65Å; R474-E484 PolarHBondContact NH2-OE1 2.95Å; R474-E484 IonicContact NH2-OE2 3.58Å; R474-E484 PolarHBondContact NH2-OE2 3.33Å; R474-E484 PolarHBondContact O-N 3.42Å; R474-D496 IonicContact CZ-OD1 3.46Å; R474-D496 IonicContact CZ-OD2 2.76Å; R474-D496 IonicContact NE-OD2 3.47Å; R474-D496 PolarHBondContact NE-OD2 3.18Å; R474-D496 IonicContact NH1-OD1 3.65Å; R474-D496 PolarHBondContact NH1-OD1 3.19Å; R474-D496 IonicContact NH1-OD2 3.41Å; R474-D496 PolarHBondContact NH1-OD2 3Å; R474-D496 IonicContact NH2-OD1 3.31Å; R474-D496 IonicContact NH2-OD2 3.28Å
475	G	81.8	Confident	85.1	Confident	40 Å²	40	48.9 Å²	48.9	41%	0.412	26%	0.262	S	S	.	.			trans	-88.7	141.5	172.6	0	0	0	0	0	111.2
476	K	81	Confident	84.7	Confident	137 Å²	137	41.9 Å²	41.9	60%	0.596	24%	0.236	S	C	*	.			trans	-55.2	138.1	178.3	68	176	-171	171.2	0	112.6	D481	K476-D481 HydrophobicContact CB-CB 4.23Å; K476-D481 WeakPolarHBondContact CB-O 3.32Å
477	T	72.3	Confident	84.5	Confident	106 Å²	106	41.1 Å²	41.1	65%	0.65	24%	0.235	S	C	*	.	S	Bend	trans	-94	-24.3	-179.9	62.8	0	0	0	0	113.3	D481	T477-D481 WeakPolarHBondContact CB-OD2 3.44Å; T477-D481 PolarHBondContact N-OD2 3.5Å; T477-D481 PolarHBondContact OG1-OD2 3.39Å
478	S	79	Confident	84.5	Confident	24 Å²	24	41 Å²	41	17%	0.168	24%	0.242	C	C	.	.	S	Bend	trans	-142.9	-177.5	-178.7	102.8	0	0	0	0	112.7	C480 G515	S478-C480 VanDerWaalsContact C-N 3.26Å; S478-C480 PolarHBondContact OG-N 3.02Å; S478-G515 PolarHBondContact OG-O 2.82Å
479	E	89.4	Confident	84.2	Confident	91 Å²	91	42.6 Å²	42.6	43%	0.425	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-14.8	170.1	68.7	179.1	116.9	0	0	113.7	I499 C505 Q506 C517	E479-I499 WeakPolarHBondContact O-CD1 3.49Å; E479-C505 HydrophobicContact CG-CB 4.1Å; E479-C505 WeakPolarHBondContact OE2-CB 3.28Å; E479-Q506 PolarHBondContact OE2-N 3.22Å; E479-C517 HydrophobicContact CG-CB 3.63Å; E479-C517 PolarHBondContact OE1-SG 3.21Å
480	C	87.1	Confident	83.8	Confident	0 Å²	0	43 Å²	43	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	12.2	178.2	-72	0	0	0	0	113.2	S478 I499 C512 G515 C517	S478-C480 VanDerWaalsContact C-N 3.26Å; S478-C480 PolarHBondContact OG-N 3.02Å; C480-I499 WeakPolarHBondContact O-CB 3.47Å; C480-I499 WeakPolarHBondContact O-CG1 3.44Å; C480-I499 PolarHBondContact O-N 2.92Å; C480-C512 VanDerWaalsContact CA-SG 3.57Å; C480-C512 HydrophobicContact CB-CB 3.57Å; C480-C512 WeakPolarHBondContact CB-SG 3.2Å; C480-C512 WeakPolarHBondContact SG-CA 3.37Å; C480-C512 WeakPolarHBondContact SG-CB 3.39Å; C480-C512 CovalentContact SG-SG 2.03Å; C480-C512 PolarHBondContact SG-SG 3.15Å; C480-G515 CarbonylContact C-O 3.5Å; C480-G515 WeakPolarHBondContact CB-O 3.38Å; C480-C517 VanDerWaalsContact SG-CA 3.59Å
481	D	84.5	Confident	83.3	Confident	7 Å²	7	43.3 Å²	43.3	4%	0.037	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-121	147.6	-176.7	-168.7	19.4	0	0	0	109.6	R474 K476 T477	R474-D481 IonicContact CZ-OD1 2.77Å; R474-D481 IonicContact CZ-OD2 3.14Å; R474-D481 IonicContact NH1-OD1 2.68Å; R474-D481 PolarHBondContact NH1-OD1 2.94Å; R474-D481 IonicContact NH1-OD2 3.41Å; R474-D481 PolarHBondContact NH1-OD2 3.19Å; R474-D481 VanDerWaalsContact NH1-OD2 3.12Å; R474-D481 IonicContact NH2-OD1 3.27Å; R474-D481 PolarHBondContact NH2-OD1 2.93Å; R474-D481 IonicContact NH2-OD2 3.54Å; K476-D481 HydrophobicContact CB-CB 4.23Å; K476-D481 WeakPolarHBondContact CB-O 3.32Å; T477-D481 WeakPolarHBondContact CB-OD2 3.44Å; T477-D481 PolarHBondContact N-OD2 3.5Å; T477-D481 PolarHBondContact OG1-OD2 3.39Å
482	V	88.6	Confident	82.7	Confident	6 Å²	6	46.2 Å²	46.2	4%	0.036	26%	0.26	C	S	.	.			trans	-117.1	152.9	-178.9	-66.2	0	0	0	0	111.1	R474 V497 I499 V655 H663	R474-V482 PolarHBondContact NH2-O 3.2Å; V482-V497 HydrophobicContact CG2-CG2 4.03Å; V482-V497 WeakPolarHBondContact CG2-O 3.43Å; V482-I499 HydrophobicContact CG1-CD1 4.29Å; V482-I499 HydrophobicContact CG1-CG1 3.75Å; V482-V655 HydrophobicContact CG1-CG2 4.24Å; V482-H663 HydrophobicContact CG1-CB 4.32Å
483	P	89.3	Confident	82.1	Confident	23 Å²	23	42.9 Å²	42.9	15%	0.149	25%	0.245	C	C	.	.			trans	-78.7	148.3	177.4	29.6	-33.7	0	0	0	112.9	L472 R474 Y485 H663	L472-P483 HydrophobicContact CD1-CB 3.5Å; R474-P483 WeakPolarHBondContact O-CA 3.4Å; P483-Y485 HydrophobicContact CB-CE2 4.05Å; P483-Y485 HydrophobicContact CG-CE2 3.79Å; P483-Y485 WeakPolarHBondContact CG-OH 3.42Å; P483-H663 PolarHBondContact O-CE1 3.01Å; P483-H663 VanDerWaalsContact O-CE1 3.28Å
484	E	84.9	Confident	82.1	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	143.7	172.4	-75.9	68.7	-154.5	0	0	111.5	C473 R474 Q494 V497 S684	C473-E484 PolarHBondContact N-O 2.77Å; C473-E484 PolarHBondContact SG-O 3.27Å; C473-E484 VanDerWaalsContact SG-O 3.34Å; R474-E484 HydrophobicContact CB-CB 4.19Å; R474-E484 IonicContact CZ-OE2 2.68Å; R474-E484 PolarHBondContact N-O 2.77Å; R474-E484 IonicContact NE-OE2 2.72Å; R474-E484 PolarHBondContact NE-OE2 3.44Å; R474-E484 IonicContact NH2-OE1 2.65Å; R474-E484 PolarHBondContact NH2-OE1 2.95Å; R474-E484 IonicContact NH2-OE2 3.58Å; R474-E484 PolarHBondContact NH2-OE2 3.33Å; R474-E484 PolarHBondContact O-N 3.42Å; E484-Q494 HydrophobicContact CG-CB 4.37Å; E484-V497 WeakPolarHBondContact OE1-CG2 3.24Å; E484-V497 PolarHBondContact OE1-N 2.92Å; E484-V497 VanDerWaalsContact OE1-N 3.1Å; E484-S684 WeakPolarHBondContact CA-O 3.14Å
485	Y	88.3	Confident	81.6	Confident	42 Å²	42	45.5 Å²	45.5	17%	0.165	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141	-173.5	-57.5	-82.3	0	0	0	111	G470 T471 L472 P483 N487 Q494 S684 T687	G470-Y485 VanDerWaalsContact O-CD1 3.28Å; G470-Y485 WeakPolarHBondContact O-CD1 3.4Å; T471-Y485 CarbonylContact O-C 3.52Å; T471-Y485 VanDerWaalsContact O-CA 3.3Å; T471-Y485 WeakPolarHBondContact O-CA 3.21Å; L472-Y485 HydrophobicContact CB-CD1 4.22Å; L472-Y485 HydrophobicContact CB-CE1 4.15Å; L472-Y485 HydrophobicContact CD1-CD1 4.14Å; L472-Y485 HydrophobicContact CD1-CE1 3.69Å; P483-Y485 HydrophobicContact CB-CE2 4.05Å; P483-Y485 HydrophobicContact CG-CE2 3.79Å; P483-Y485 WeakPolarHBondContact CG-OH 3.42Å; Y485-N487 PolarHBondContact O-N 2.87Å; Y485-Q494 VanDerWaalsContact O-CG 3.31Å; Y485-Q494 WeakPolarHBondContact O-CG 3.24Å; Y485-S684 PolarHBondContact N-O 3.12Å; Y485-T687 HydrophobicContact CD1-CG2 4.2Å; Y485-T687 HydrophobicContact CD2-CG2 3.78Å; Y485-T687 HydrophobicContact CE1-CG2 3.91Å; Y485-T687 HydrophobicContact CE2-CG2 3.46Å; Y485-T687 VanDerWaalsContact CE2-CG2 3.46Å; Y485-T687 HydrophobicContact CG-CG2 4.14Å
486	C	86.1	Confident	81.2	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.269	C	S	.	.			trans	-54.4	136.9	167.6	-56.2	0	0	0	0	110	C460 L467 G469 G470 T471	C460-C486 WeakPolarHBondContact CA-SG 3.39Å; C460-C486 HydrophobicContact CB-CB 3.74Å; C460-C486 WeakPolarHBondContact CB-SG 3.35Å; C460-C486 WeakPolarHBondContact SG-CA 3.2Å; C460-C486 WeakPolarHBondContact SG-CB 3.41Å; C460-C486 CovalentContact SG-SG 2.03Å; C460-C486 PolarHBondContact SG-SG 2.95Å; L467-C486 HydrophobicContact CB-CB 4.26Å; G469-C486 CarbonylContact C-O 3.38Å; G469-C486 VanDerWaalsContact CA-O 3.32Å; G469-C486 WeakPolarHBondContact CA-O 3.47Å; G470-C486 PolarHBondContact N-O 3.05Å; T471-C486 PolarHBondContact O-N 3.25Å; T471-C486 PolarHBondContact O-SG 2.92Å; T471-C486 VanDerWaalsContact O-SG 3.4Å
487	N	82	Confident	81.1	Confident	45 Å²	45	41.7 Å²	41.7	24%	0.241	24%	0.241	C	C	.	.			trans	-87.9	-4.3	-179.7	65.6	4.3	0	0	0	113.4	Y485 S489 S490 Q494	Y485-N487 PolarHBondContact O-N 2.87Å; N487-S489 VanDerWaalsContact C-N 3.32Å; N487-S489 PolarHBondContact OD1-N 2.97Å; N487-S489 PolarHBondContact OD1-OG 3.44Å; N487-S490 VanDerWaalsContact OD1-CB 3.3Å; N487-S490 WeakPolarHBondContact OD1-CB 3.47Å; N487-S490 PolarHBondContact OD1-N 2.87Å; N487-Q494 PolarHBondContact ND2-NE2 2.94Å; N487-Q494 PolarHBondContact ND2-OE1 3.39Å
488	G	86.4	Confident	81.6	Confident	33 Å²	33	39.1 Å²	39.1	34%	0.34	22%	0.221	S	C	.	.	S	Bend	trans	79.5	5.6	-177	0	0	0	0	0	115.1
489	S	81.1	Confident	82.2	Confident	85 Å²	85	38.5 Å²	38.5	59%	0.594	22%	0.216	S	C	*	.	S	Bend	trans	-140.3	10.8	-177.5	59.5	0	0	0	0	113.9	N487	N487-S489 VanDerWaalsContact C-N 3.32Å; N487-S489 PolarHBondContact OD1-N 2.97Å; N487-S489 PolarHBondContact OD1-OG 3.44Å
490	S	77.9	Confident	82.3	Confident	27 Å²	27	34.7 Å²	34.7	19%	0.189	20%	0.198	C	C	.	.			trans	-142.3	139.1	-179.1	169	0	0	0	0	109.8	C460 F466 N487 F492	C460-S490 VanDerWaalsContact CB-O 3.23Å; C460-S490 WeakPolarHBondContact CB-O 3.31Å; F466-S490 VanDerWaalsContact CD1-C 3.41Å; N487-S490 VanDerWaalsContact OD1-CB 3.3Å; N487-S490 WeakPolarHBondContact OD1-CB 3.47Å; N487-S490 PolarHBondContact OD1-N 2.87Å; S490-F492 VanDerWaalsContact C-N 3.3Å; S490-F492 PolarHBondContact OG-N 2.94Å; S490-F492 PolarHBondContact OG-O 2.82Å
491	Q	73.4	Confident	82.3	Confident	23 Å²	23	36.3 Å²	36.3	11%	0.107	21%	0.207	C	C	.	.	S	Bend	trans	-78.6	-15	172.2	72.7	-175.6	1.4	0	0	113.3	C455 Y457 G458 D459 C460 C461 F466	C455-Q491 HydrophobicContact CB-CB 3.61Å; Y457-Q491 VanDerWaalsContact O-CB 3.27Å; Y457-Q491 WeakPolarHBondContact O-CB 3.27Å; Y457-Q491 VanDerWaalsContact O-CG 3.24Å; Y457-Q491 WeakPolarHBondContact O-CG 3.41Å; Y457-Q491 PolarHBondContact O-OE1 3.29Å; Y457-Q491 PolarHBondContact OH-NE2 3.36Å; G458-Q491 CarbonylContact C-O 3.55Å; G458-Q491 WeakPolarHBondContact CA-O 3.02Å; D459-Q491 PolarHBondContact N-O 3.3Å; C460-Q491 CarbonylContact C-O 3.31Å; C460-Q491 WeakPolarHBondContact CA-O 3.47Å; C460-Q491 WeakPolarHBondContact CB-O 3.46Å; C460-Q491 PolarHBondContact N-O 3.23Å; C461-Q491 HydrophobicContact CB-CB 4.14Å; F466-Q491 HydrophobicContact CD1-CB 4.16Å; F466-Q491 HydrophobicContact CE1-CB 3.99Å
492	F	74.7	Confident	82.5	Confident	102 Å²	102	36.4 Å²	36.4	45%	0.447	21%	0.21	S	C	.	.	S	Bend	trans	-96	143.3	175.9	-56.2	-65.3	0	0	0	111.4	Y457 S490	Y457-F492 HydrophobicContact CD2-CE1 4.29Å; Y457-F492 AromaticContact CE2-CE1 3.76Å; Y457-F492 HydrophobicContact CE2-CE1 3.76Å; Y457-F492 AromaticContact CE2-CZ 3.74Å; Y457-F492 HydrophobicContact CE2-CZ 3.74Å; Y457-F492 AromaticContact CZ-CZ 3.94Å; S490-F492 VanDerWaalsContact C-N 3.3Å; S490-F492 PolarHBondContact OG-N 2.94Å; S490-F492 PolarHBondContact OG-O 2.82Å
493	C	76.4	Confident	82.8	Confident	28 Å²	28	38.8 Å²	38.8	19%	0.189	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-57.6	155.4	165.7	-161.8	0	0	0	0	110.7	D459 C473	D459-C493 HydrophobicContact CB-CB 4.35Å; C473-C493 HydrophobicContact CB-CB 3.65Å; C473-C493 WeakPolarHBondContact CB-SG 3.28Å; C473-C493 WeakPolarHBondContact SG-CA 3.17Å; C473-C493 WeakPolarHBondContact SG-CB 3.18Å; C473-C493 CovalentContact SG-SG 2.03Å; C473-C493 PolarHBondContact SG-SG 3.32Å
494	Q	76.9	Confident	82.9	Confident	40 Å²	40	39.9 Å²	39.9	19%	0.187	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-70.4	159.3	176.3	-54.4	-58.3	-101.6	0	0	110.7	E484 Y485 N487 D496 D683	E484-Q494 HydrophobicContact CG-CB 4.37Å; Y485-Q494 VanDerWaalsContact O-CG 3.31Å; Y485-Q494 WeakPolarHBondContact O-CG 3.24Å; N487-Q494 PolarHBondContact ND2-NE2 2.94Å; N487-Q494 PolarHBondContact ND2-OE1 3.39Å; Q494-D496 PolarHBondContact O-N 3.32Å; Q494-D683 WeakPolarHBondContact CB-O 3.15Å
495	P	72.1	Confident	83.3	Confident	96 Å²	96	40.1 Å²	40.1	62%	0.623	23%	0.227	S	C	*	.	P	Polyproline II helix	trans	-58.3	136.5	180	-24	35	0	0	0	112.1	V497	P495-V497 PolarHBondContact O-N 3.2Å
496	D	74.5	Confident	83.4	Confident	93 Å²	93	40.5 Å²	40.5	50%	0.497	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-54.8	117.7	175.5	-170.4	-45.4	0	0	0	110.4	R474 Q494	R474-D496 IonicContact CZ-OD1 3.46Å; R474-D496 IonicContact CZ-OD2 2.76Å; R474-D496 IonicContact NE-OD2 3.47Å; R474-D496 PolarHBondContact NE-OD2 3.18Å; R474-D496 IonicContact NH1-OD1 3.65Å; R474-D496 PolarHBondContact NH1-OD1 3.19Å; R474-D496 IonicContact NH1-OD2 3.41Å; R474-D496 PolarHBondContact NH1-OD2 3Å; R474-D496 IonicContact NH2-OD1 3.31Å; R474-D496 IonicContact NH2-OD2 3.28Å; Q494-D496 PolarHBondContact O-N 3.32Å
497	V	78.6	Confident	83.6	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.024	27%	0.265	C	S	.	.			trans	-127.5	148.2	173.3	-69.6	0	0	0	0	109.9	V482 E484 P495 N657 D683 S684	V482-V497 HydrophobicContact CG2-CG2 4.03Å; V482-V497 WeakPolarHBondContact CG2-O 3.43Å; E484-V497 WeakPolarHBondContact OE1-CG2 3.24Å; E484-V497 PolarHBondContact OE1-N 2.92Å; E484-V497 VanDerWaalsContact OE1-N 3.1Å; P495-V497 PolarHBondContact O-N 3.2Å; V497-N657 HydrophobicContact CB-CB 4.37Å; V497-N657 HydrophobicContact CG2-CB 4.46Å; V497-D683 HydrophobicContact CG1-CB 4.09Å; V497-D683 HydrophobicContact CG2-CB 4.24Å; V497-S684 WeakPolarHBondContact CG2-OG 3.33Å
498	F	83.1	Confident	83.9	Confident	52 Å²	52	50 Å²	50	23%	0.228	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-129.7	167.8	-174.2	52	-95.2	0	0	0	111.4	Q500 G515 N657 S658	F498-Q500 PolarHBondContact O-N 3.41Å; F498-G515 VanDerWaalsContact CD2-N 3.35Å; F498-N657 CarbonylContact O-C 3.46Å; F498-N657 VanDerWaalsContact O-C 3.26Å; F498-N657 WeakPolarHBondContact O-CA 3.49Å; F498-S658 PolarHBondContact N-OG 2.97Å; F498-S658 PolarHBondContact O-N 3.19Å
499	I	91.2	Very high	84	Confident	11 Å²	11	55.6 Å²	55.6	6%	0.056	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-67.1	134.2	-179.5	-56.3	-173.7	0	0	0	110.2	E479 C480 V482 N501 Y503 V655	E479-I499 WeakPolarHBondContact O-CD1 3.49Å; C480-I499 WeakPolarHBondContact O-CB 3.47Å; C480-I499 WeakPolarHBondContact O-CG1 3.44Å; C480-I499 PolarHBondContact O-N 2.92Å; V482-I499 HydrophobicContact CG1-CD1 4.29Å; V482-I499 HydrophobicContact CG1-CG1 3.75Å; I499-N501 PolarHBondContact O-N 3.39Å; I499-Y503 VanDerWaalsContact CG2-CB 3.48Å; I499-Y503 HydrophobicContact CG2-CD1 3.87Å; I499-Y503 HydrophobicContact CG2-CD2 3.67Å; I499-Y503 HydrophobicContact CG2-CE2 4.4Å; I499-Y503 HydrophobicContact CG2-CG 3.39Å; I499-V655 HydrophobicContact CD1-CB 4.49Å; I499-V655 HydrophobicContact CD1-CG2 3.96Å; I499-V655 HydrophobicContact CG1-CG2 3.98Å; I499-V655 HydrophobicContact CG2-CB 4.35Å; I499-V655 HydrophobicContact CG2-CG2 4.44Å
500	Q	91	Very high	84.6	Confident	11 Å²	11	51.6 Å²	51.6	5%	0.051	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-51.7	131.5	-173.7	-173.2	176.2	-10.3	0	0	112.7	F498 G502 Y503 Y642 D643 C656	F498-Q500 PolarHBondContact O-N 3.41Å; Q500-G502 PolarHBondContact O-N 2.91Å; Q500-Y503 VanDerWaalsContact O-CB 3.29Å; Q500-Y503 WeakPolarHBondContact O-CB 3.36Å; Q500-Y503 PolarHBondContact O-N 2.74Å; Q500-Y642 HydrophobicContact CB-CD2 4.25Å; Q500-Y642 HydrophobicContact CB-CE2 4.16Å; Q500-Y642 HydrophobicContact CG-CD2 4Å; Q500-Y642 HydrophobicContact CG-CE2 4.36Å; Q500-D643 PolarHBondContact NE2-OD1 3.13Å; Q500-C656 HydrophobicContact CB-CB 4.17Å; Q500-C656 WeakPolarHBondContact CB-O 3.41Å; Q500-C656 PolarHBondContact N-O 2.67Å; Q500-C656 VanDerWaalsContact OE1-CB 3.31Å
501	N	86.8	Confident	85.2	Confident	34 Å²	34	51.2 Å²	51.2	18%	0.182	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	129.1	179.3	-70.4	0	0	0	0	111.4	I499 C512 Y513 N514 Y642	I499-N501 PolarHBondContact O-N 3.39Å; N501-C512 CarbonylContact C-O 3.6Å; N501-C512 VanDerWaalsContact CA-O 3.31Å; N501-C512 WeakPolarHBondContact CA-O 3.44Å; N501-Y513 HydrophobicContact CB-CD2 4.43Å; N501-Y513 WeakPolarHBondContact OD1-CA 3.24Å; N501-N514 PolarHBondContact ND2-OD1 2.95Å; N501-N514 PolarHBondContact OD1-N 3.35Å; N501-Y642 WeakPolarHBondContact O-CD2 3.47Å
502	G	90.3	Very high	85.9	Confident	10 Å²	10	50.1 Å²	50.1	10%	0.103	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.6	-6.4	-174.5	0	0	0	0	0	115.3	Q500 Y511 C512	Q500-G502 PolarHBondContact O-N 2.91Å; G502-Y511 WeakPolarHBondContact O-CD1 3.37Å; G502-C512 PolarHBondContact N-O 2.72Å
503	Y	93.1	Very high	86.3	Confident	55 Å²	55	46.8 Å²	46.8	22%	0.216	24%	0.243	C	C	.	.			trans	-59.6	135.6	167.1	-172.1	-80.9	0	0	0	110.4	I499 Q500 Y511 C512 Y642 I646 V655	I499-Y503 VanDerWaalsContact CG2-CB 3.48Å; I499-Y503 HydrophobicContact CG2-CD1 3.87Å; I499-Y503 HydrophobicContact CG2-CD2 3.67Å; I499-Y503 HydrophobicContact CG2-CE2 4.4Å; I499-Y503 HydrophobicContact CG2-CG 3.39Å; Q500-Y503 VanDerWaalsContact O-CB 3.29Å; Q500-Y503 WeakPolarHBondContact O-CB 3.36Å; Q500-Y503 PolarHBondContact O-N 2.74Å; Y503-Y511 CarbonylContact O-C 3.31Å; Y503-Y511 VanDerWaalsContact O-CA 3.31Å; Y503-Y511 WeakPolarHBondContact O-CA 3.3Å; Y503-C512 PolarHBondContact O-N 3.47Å; Y503-Y642 HydrophobicContact CD2-CE2 4.2Å; Y503-Y642 WeakPolarHBondContact CD2-OH 2.99Å; Y503-I646 HydrophobicContact CD2-CD1 4.27Å; Y503-I646 HydrophobicContact CE2-CD1 3.54Å; Y503-I646 HydrophobicContact CE2-CG1 4.41Å; Y503-V655 HydrophobicContact CD2-CB 4.44Å; Y503-V655 HydrophobicContact CD2-CG1 4.49Å; Y503-V655 HydrophobicContact CE2-CB 3.89Å; Y503-V655 HydrophobicContact CE2-CG1 3.56Å; Y503-V655 WeakPolarHBondContact OH-CG1 3.39Å
504	P	92.7	Very high	86.2	Confident	46 Å²	46	50 Å²	50	30%	0.299	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	133.2	-176.8	31	-35.2	0	0	0	112.5	N508	P504-N508 WeakPolarHBondContact CB-OD1 3.42Å
505	C	92.3	Very high	86.2	Confident	5 Å²	5	48.4 Å²	48.4	3%	0.034	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	174.2	-179.3	67.6	0	0	0	0	111.7	E479 N507 N508 K509 A510 Y511 C517	E479-C505 HydrophobicContact CG-CB 4.1Å; E479-C505 WeakPolarHBondContact OE2-CB 3.28Å; C505-N507 PolarHBondContact O-N 2.78Å; C505-N508 PolarHBondContact O-N 3.32Å; C505-K509 PolarHBondContact O-N 2.92Å; C505-A510 PolarHBondContact N-O 3.49Å; C505-A510 PolarHBondContact O-N 3.27Å; C505-A510 VanDerWaalsContact O-N 3.08Å; C505-A510 VanDerWaalsContact SG-C 3.56Å; C505-A510 VanDerWaalsContact SG-CB 3.57Å; C505-Y511 PolarHBondContact SG-N 3.47Å; C505-Y511 PolarHBondContact SG-O 3.48Å; C505-C517 HydrophobicContact CB-CB 3.82Å; C505-C517 WeakPolarHBondContact CB-SG 3.06Å; C505-C517 WeakPolarHBondContact SG-CA 3.48Å; C505-C517 WeakPolarHBondContact SG-CB 3.36Å; C505-C517 CovalentContact SG-SG 2.04Å; C505-C517 PolarHBondContact SG-SG 3.03Å
506	Q	91.8	Very high	86.3	Confident	51 Å²	51	48.1 Å²	48.1	24%	0.238	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	54.5	-178.5	-175.9	48.2	-77.8	0	0	112	E479 N508 K509 A510 Y519	E479-Q506 PolarHBondContact OE2-N 3.22Å; Q506-N508 PolarHBondContact O-N 3.24Å; Q506-K509 HydrophobicContact CG-CB 4.48Å; Q506-K509 WeakPolarHBondContact O-CB 3.19Å; Q506-K509 VanDerWaalsContact O-CG 3.3Å; Q506-K509 WeakPolarHBondContact O-CG 3.49Å; Q506-K509 PolarHBondContact O-N 3.22Å; Q506-K509 VanDerWaalsContact O-N 3.14Å; Q506-A510 HydrophobicContact CB-CB 4.22Å; Q506-Y519 HydrophobicContact CB-CD1 4.45Å; Q506-Y519 HydrophobicContact CB-CE1 4.33Å; Q506-Y519 HydrophobicContact CG-CD1 4.45Å; Q506-Y519 HydrophobicContact CG-CE1 4.22Å; Q506-Y519 HydrophobicContact CG-CE2 4.32Å; Q506-Y519 PolarHBondContact NE2-OH 3.27Å; Q506-Y519 VanDerWaalsContact NE2-OH 3.14Å
507	N	89.6	Confident	86.8	Confident	133 Å²	133	44.3 Å²	44.3	71%	0.711	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	46.8	-177.7	-59.2	-87.2	0	0	0	113.4	C505 K509	C505-N507 PolarHBondContact O-N 2.78Å; N507-K509 PolarHBondContact O-N 2.85Å
508	N	88.6	Confident	87	Confident	112 Å²	112	45.6 Å²	45.6	60%	0.599	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	9.2	-176.1	-54	-37.2	0	0	0	115.5	P504 C505 Q506 K622	P504-N508 WeakPolarHBondContact CB-OD1 3.42Å; C505-N508 PolarHBondContact O-N 3.32Å; Q506-N508 PolarHBondContact O-N 3.24Å; N508-K622 PolarHBondContact O-NZ 2.92Å; N508-K622 VanDerWaalsContact O-NZ 3.07Å
509	K	88.8	Confident	87.3	Confident	150 Å²	150	45.9 Å²	45.9	65%	0.652	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-10.8	179.1	-58	175.4	-176.9	175.1	0	113.5	C505 Q506 N507 K622	C505-K509 PolarHBondContact O-N 2.92Å; Q506-K509 HydrophobicContact CG-CB 4.48Å; Q506-K509 WeakPolarHBondContact O-CB 3.19Å; Q506-K509 VanDerWaalsContact O-CG 3.3Å; Q506-K509 WeakPolarHBondContact O-CG 3.49Å; Q506-K509 PolarHBondContact O-N 3.22Å; Q506-K509 VanDerWaalsContact O-N 3.14Å; N507-K509 PolarHBondContact O-N 2.85Å; K509-K622 WeakPolarHBondContact O-CD 3.39Å
510	A	93.1	Very high	87.4	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.008	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	-179.8	178.6	0	0	0	0	0	110.8	C505 Q506 Y519	C505-A510 PolarHBondContact N-O 3.49Å; C505-A510 PolarHBondContact O-N 3.27Å; C505-A510 VanDerWaalsContact O-N 3.08Å; C505-A510 VanDerWaalsContact SG-C 3.56Å; C505-A510 VanDerWaalsContact SG-CB 3.57Å; Q506-A510 HydrophobicContact CB-CB 4.22Å; A510-Y519 HydrophobicContact CB-CD1 4.44Å
511	Y	91.1	Very high	87.4	Confident	19 Å²	19	49.1 Å²	49.1	8%	0.075	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	151.4	173.9	-54.7	-83.7	0	0	0	110.6	G502 Y503 C505 Q518 K622 D626 I628 A637	G502-Y511 WeakPolarHBondContact O-CD1 3.37Å; Y503-Y511 CarbonylContact O-C 3.31Å; Y503-Y511 VanDerWaalsContact O-CA 3.31Å; Y503-Y511 WeakPolarHBondContact O-CA 3.3Å; C505-Y511 PolarHBondContact SG-N 3.47Å; C505-Y511 PolarHBondContact SG-O 3.48Å; Y511-Q518 PolarHBondContact O-N 3.4Å; Y511-K622 HydrophobicContact CD2-CB 4.06Å; Y511-K622 HydrophobicContact CD2-CD 4.11Å; Y511-K622 HydrophobicContact CD2-CG 4.19Å; Y511-K622 HydrophobicContact CE2-CB 4.1Å; Y511-K622 HydrophobicContact CE2-CD 3.51Å; Y511-K622 HydrophobicContact CE2-CG 3.7Å; Y511-K622 VanDerWaalsContact OH-CE 3.31Å; Y511-K622 WeakPolarHBondContact OH-CE 3.49Å; Y511-K622 PolarHBondContact OH-NZ 3.31Å; Y511-D626 PolarHBondContact OH-OD1 3.41Å; Y511-I628 HydrophobicContact CD2-CG2 3.42Å; Y511-I628 VanDerWaalsContact CD2-CG2 3.42Å; Y511-I628 HydrophobicContact CE2-CG2 3.8Å; Y511-I628 HydrophobicContact CG-CG2 4.34Å; Y511-A637 HydrophobicContact CE2-CB 4.44Å
512	C	86.9	Confident	87.2	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	135.5	171.2	-63.5	0	0	0	0	110.9	C480 N501 G502 Y503	C480-C512 VanDerWaalsContact CA-SG 3.57Å; C480-C512 HydrophobicContact CB-CB 3.57Å; C480-C512 WeakPolarHBondContact CB-SG 3.2Å; C480-C512 WeakPolarHBondContact SG-CA 3.37Å; C480-C512 WeakPolarHBondContact SG-CB 3.39Å; C480-C512 CovalentContact SG-SG 2.03Å; C480-C512 PolarHBondContact SG-SG 3.15Å; N501-C512 CarbonylContact C-O 3.6Å; N501-C512 VanDerWaalsContact CA-O 3.31Å; N501-C512 WeakPolarHBondContact CA-O 3.44Å; G502-C512 PolarHBondContact N-O 2.72Å; Y503-C512 PolarHBondContact O-N 3.47Å
513	Y	82.9	Confident	86.9	Confident	31 Å²	31	48.9 Å²	48.9	12%	0.122	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	115.4	174.6	-168.3	-106	0	0	0	109.4	N501 G515 M516 E619 L640	N501-Y513 HydrophobicContact CB-CD2 4.43Å; N501-Y513 WeakPolarHBondContact OD1-CA 3.24Å; Y513-G515 PolarHBondContact O-N 2.85Å; Y513-M516 PolarHBondContact N-O 2.82Å; Y513-M516 PolarHBondContact O-N 3.13Å; Y513-M516 VanDerWaalsContact O-N 3.16Å; Y513-E619 HydrophobicContact CD1-CB 4.19Å; Y513-E619 WeakPolarHBondContact CD1-O 3.48Å; Y513-E619 HydrophobicContact CE1-CB 3.51Å; Y513-E619 PolarHBondContact OH-OE2 3.45Å; Y513-L640 HydrophobicContact CD2-CD2 3.74Å; Y513-L640 HydrophobicContact CE2-CD2 3.67Å
514	N	75.8	Confident	86.6	Confident	95 Å²	95	46.3 Å²	46.3	51%	0.508	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	53.3	180	-58.3	-10.6	0	0	0	112.5	N501 M516	N501-N514 PolarHBondContact ND2-OD1 2.95Å; N501-N514 PolarHBondContact OD1-N 3.35Å; N514-M516 VanDerWaalsContact C-N 3.26Å; N514-M516 PolarHBondContact O-N 3.25Å
515	G	75.3	Confident	86.2	Confident	7 Å²	7	47.4 Å²	47.4	7%	0.072	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	-3.2	178.4	0	0	0	0	0	116.7	S478 C480 F498 Y513	S478-G515 PolarHBondContact OG-O 2.82Å; C480-G515 CarbonylContact C-O 3.5Å; C480-G515 WeakPolarHBondContact CB-O 3.38Å; F498-G515 VanDerWaalsContact CD2-N 3.35Å; Y513-G515 PolarHBondContact O-N 2.85Å
516	M	75.6	Confident	85.2	Confident	91 Å²	91	51.5 Å²	51.5	45%	0.448	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.8	-178.5	-64.3	-62.1	-76.2	0	0	112	Y513 N514 Q518	Y513-M516 PolarHBondContact N-O 2.82Å; Y513-M516 PolarHBondContact O-N 3.13Å; Y513-M516 VanDerWaalsContact O-N 3.16Å; N514-M516 VanDerWaalsContact C-N 3.26Å; N514-M516 PolarHBondContact O-N 3.25Å; M516-Q518 HydrophobicContact CB-CG 4.49Å; M516-Q518 PolarHBondContact O-N 2.82Å
517	C	83.9	Confident	84.4	Confident	13 Å²	13	49.3 Å²	49.3	9%	0.088	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	107.6	167.7	-174.2	0	0	0	0	109	E479 C480 C505 Y519	E479-C517 HydrophobicContact CG-CB 3.63Å; E479-C517 PolarHBondContact OE1-SG 3.21Å; C480-C517 VanDerWaalsContact SG-CA 3.59Å; C505-C517 HydrophobicContact CB-CB 3.82Å; C505-C517 WeakPolarHBondContact CB-SG 3.06Å; C505-C517 WeakPolarHBondContact SG-CA 3.48Å; C505-C517 WeakPolarHBondContact SG-CB 3.36Å; C505-C517 CovalentContact SG-SG 2.04Å; C505-C517 PolarHBondContact SG-SG 3.03Å; C517-Y519 HydrophobicContact CB-CD1 4.49Å; C517-Y519 HydrophobicContact CB-CE1 4.47Å; C517-Y519 WeakPolarHBondContact O-CD1 3.28Å
518	Q	82.5	Confident	83.9	Confident	31 Å²	31	43.2 Å²	43.2	15%	0.145	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	111.2	-170.5	-63	-70.8	3.3	0	0	111.2	Y511 M516 N618 E619 T621	Y511-Q518 PolarHBondContact O-N 3.4Å; M516-Q518 HydrophobicContact CB-CG 4.49Å; M516-Q518 PolarHBondContact O-N 2.82Å; Q518-N618 PolarHBondContact OE1-ND2 3.38Å; Q518-E619 WeakPolarHBondContact CG-O 3.34Å; Q518-T621 WeakPolarHBondContact O-CA 3.43Å
519	Y	90.1	Very high	83.4	Confident	57 Å²	57	38.3 Å²	38.3	22%	0.224	19%	0.194	C	C	.	.			trans	-151.6	149.7	176.1	65.3	-80.8	0	0	0	113.5	Q506 A510 C517 D521 A522 Q523	Q506-Y519 HydrophobicContact CB-CD1 4.45Å; Q506-Y519 HydrophobicContact CB-CE1 4.33Å; Q506-Y519 HydrophobicContact CG-CD1 4.45Å; Q506-Y519 HydrophobicContact CG-CE1 4.22Å; Q506-Y519 HydrophobicContact CG-CE2 4.32Å; Q506-Y519 PolarHBondContact NE2-OH 3.27Å; Q506-Y519 VanDerWaalsContact NE2-OH 3.14Å; A510-Y519 HydrophobicContact CB-CD1 4.44Å; C517-Y519 HydrophobicContact CB-CD1 4.49Å; C517-Y519 HydrophobicContact CB-CE1 4.47Å; C517-Y519 WeakPolarHBondContact O-CD1 3.28Å; Y519-D521 HydrophobicContact CD2-CB 3.9Å; Y519-D521 HydrophobicContact CE2-CB 3.9Å; Y519-D521 PolarHBondContact O-N 3.1Å; Y519-A522 HydrophobicContact CD1-CB 4.1Å; Y519-A522 HydrophobicContact CD2-CB 4.11Å; Y519-A522 HydrophobicContact CE1-CB 3.76Å; Y519-A522 HydrophobicContact CE2-CB 3.77Å; Y519-A522 HydrophobicContact CG-CB 4.27Å; Y519-A522 PolarHBondContact O-N 2.04Å; Y519-Q523 PolarHBondContact O-N 2.96Å
520	Y	92.9	Very high	83.1	Confident	30 Å²	30	35.9 Å²	35.9	12%	0.118	20%	0.196	C	C	.	.	H	α-helix	trans	-55.6	-44.1	-171.2	-54.3	-78	0	0	0	114.6	A522 Q523 C524 A534 F540 L569 L573 V617 T621 K622 C623	Y520-A522 PolarHBondContact O-N 2.87Å; Y520-Q523 PolarHBondContact O-N 3.08Å; Y520-C524 PolarHBondContact O-N 3.09Å; Y520-C524 PolarHBondContact O-SG 3.28Å; Y520-A534 VanDerWaalsContact CB-CB 3.42Å; Y520-A534 HydrophobicContact CG-CB 4.37Å; Y520-F540 HydrophobicContact CD1-CE1 4.14Å; Y520-F540 AromaticContact CD1-CZ 3.92Å; Y520-F540 HydrophobicContact CD1-CZ 3.92Å; Y520-F540 HydrophobicContact CE1-CE1 4.15Å; Y520-F540 HydrophobicContact CE1-CZ 4.29Å; Y520-L569 VanDerWaalsContact CE1-O 3.27Å; Y520-L569 WeakPolarHBondContact CE1-O 3.45Å; Y520-L569 PolarHBondContact OH-O 3.2Å; Y520-L573 HydrophobicContact CD1-CD1 3.92Å; Y520-V617 HydrophobicContact CD1-CG1 4.21Å; Y520-V617 HydrophobicContact CD1-CG2 4.07Å; Y520-V617 HydrophobicContact CE1-CB 4.33Å; Y520-V617 HydrophobicContact CE1-CG1 3.57Å; Y520-V617 HydrophobicContact CE1-CG2 3.71Å; Y520-T621 HydrophobicContact CD1-CG2 3.97Å; Y520-T621 HydrophobicContact CD2-CG2 4.03Å; Y520-T621 HydrophobicContact CE1-CG2 3.62Å; Y520-T621 HydrophobicContact CE2-CG2 3.67Å; Y520-T621 HydrophobicContact CG-CG2 4.16Å; Y520-T621 VanDerWaalsContact CZ-CG2 3.43Å; Y520-K622 WeakPolarHBondContact CE2-O 3.4Å; Y520-C623 WeakPolarHBondContact OH-CA 3.44Å
521	D	91.2	Very high	82.8	Confident	60 Å²	60	40.5 Å²	40.5	32%	0.321	22%	0.216	S	C	.	.	H	α-helix	trans	-61	-45	-179.4	-78.2	-10.2	0	0	0	111.7	Y519 Q523 C524 Q525 A534	Y519-D521 HydrophobicContact CD2-CB 3.9Å; Y519-D521 HydrophobicContact CE2-CB 3.9Å; Y519-D521 PolarHBondContact O-N 3.1Å; D521-Q523 PolarHBondContact O-N 2.88Å; D521-C524 PolarHBondContact O-N 3.37Å; D521-Q525 WeakPolarHBondContact O-CB 3.36Å; D521-Q525 WeakPolarHBondContact O-CG 3.35Å; D521-Q525 PolarHBondContact O-N 3.17Å; D521-A534 WeakPolarHBondContact OD1-CB 3.45Å; D521-A534 PolarHBondContact OD1-N 3.14Å
522	A	83	Confident	82.7	Confident	27 Å²	27	39.6 Å²	39.6	22%	0.223	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-42	177.1	0	0	0	0	0	111.7	Y519 Y520 Q525 V526	Y519-A522 HydrophobicContact CD1-CB 4.1Å; Y519-A522 HydrophobicContact CD2-CB 4.11Å; Y519-A522 HydrophobicContact CE1-CB 3.76Å; Y519-A522 HydrophobicContact CE2-CB 3.77Å; Y519-A522 HydrophobicContact CG-CB 4.27Å; Y519-A522 PolarHBondContact O-N 2.04Å; Y520-A522 PolarHBondContact O-N 2.87Å; A522-Q525 PolarHBondContact O-N 2.98Å; A522-V526 WeakPolarHBondContact O-CG2 3.45Å; A522-V526 PolarHBondContact O-N 2.82Å
523	Q	83.4	Confident	83	Confident	13 Å²	13	44.4 Å²	44.4	6%	0.061	23%	0.234	C	C	.	.	H	α-helix	trans	-64.1	-44	177.7	-162.2	179.9	-11.7	0	0	111.4	Y519 Y520 D521 Q525 V526 I527 L573 P614 M616 N618	Y519-Q523 PolarHBondContact O-N 2.96Å; Y520-Q523 PolarHBondContact O-N 3.08Å; D521-Q523 PolarHBondContact O-N 2.88Å; Q523-Q525 VanDerWaalsContact C-N 3.3Å; Q523-Q525 PolarHBondContact O-N 3.14Å; Q523-V526 PolarHBondContact O-N 3.07Å; Q523-I527 HydrophobicContact CG-CD1 4.07Å; Q523-I527 WeakPolarHBondContact O-CD1 3.44Å; Q523-I527 VanDerWaalsContact O-CG1 3.3Å; Q523-I527 WeakPolarHBondContact O-CG1 3.34Å; Q523-I527 PolarHBondContact O-N 3.23Å; Q523-L573 HydrophobicContact CB-CD2 4.01Å; Q523-L573 HydrophobicContact CG-CD2 3.74Å; Q523-P614 PolarHBondContact NE2-O 3.1Å; Q523-M616 PolarHBondContact NE2-O 3.06Å; Q523-N618 PolarHBondContact NE2-OD1 2.86Å; Q523-N618 VanDerWaalsContact OE1-N 3.08Å
524	C	86.3	Confident	83.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.7	-38.6	172.5	-72.1	0	0	0	0	112.3	Y520 D521 I527 F528 A532 K533 C575	Y520-C524 PolarHBondContact O-N 3.09Å; Y520-C524 PolarHBondContact O-SG 3.28Å; D521-C524 PolarHBondContact O-N 3.37Å; C524-I527 PolarHBondContact O-N 3.33Å; C524-F528 WeakPolarHBondContact O-CB 3.23Å; C524-F528 PolarHBondContact O-N 3.15Å; C524-A532 HydrophobicContact CB-CB 4.19Å; C524-K533 PolarHBondContact SG-O 3.25Å; C524-K533 VanDerWaalsContact SG-O 3.37Å; C524-C575 VanDerWaalsContact CA-SG 3.58Å; C524-C575 HydrophobicContact CB-CB 3.89Å; C524-C575 WeakPolarHBondContact CB-SG 3.03Å; C524-C575 WeakPolarHBondContact SG-CB 3.04Å; C524-C575 CovalentContact SG-SG 2.04Å; C524-C575 PolarHBondContact SG-SG 3.37Å
525	Q	84.4	Confident	84.4	Confident	69 Å²	69	40 Å²	40	32%	0.322	22%	0.217	S	C	.	.	H	α-helix	trans	-71.3	-34.9	-179.4	-73.2	163.7	13.9	0	0	113.6	D521 A522 Q523 I527 G529 A532	D521-Q525 WeakPolarHBondContact O-CB 3.36Å; D521-Q525 WeakPolarHBondContact O-CG 3.35Å; D521-Q525 PolarHBondContact O-N 3.17Å; A522-Q525 PolarHBondContact O-N 2.98Å; Q523-Q525 VanDerWaalsContact C-N 3.3Å; Q523-Q525 PolarHBondContact O-N 3.14Å; Q525-I527 VanDerWaalsContact C-N 3.31Å; Q525-G529 WeakPolarHBondContact CA-O 3.47Å; Q525-G529 CarbonylContact O-C 3.5Å; Q525-G529 VanDerWaalsContact O-CA 3.26Å; Q525-G529 WeakPolarHBondContact O-CA 3.43Å; Q525-G529 PolarHBondContact O-N 2.02Å; Q525-A532 WeakPolarHBondContact CG-O 3.45Å; Q525-A532 PolarHBondContact NE2-O 2.87Å
526	V	72.9	Confident	85.2	Confident	91 Å²	91	42.3 Å²	42.3	55%	0.552	23%	0.23	S	C	*	.	H	α-helix	trans	-67.1	-33.4	173.2	170	0	0	0	0	111.5	A522 Q523 F584	A522-V526 WeakPolarHBondContact O-CG2 3.45Å; A522-V526 PolarHBondContact O-N 2.82Å; Q523-V526 PolarHBondContact O-N 3.07Å; V526-F584 HydrophobicContact CG1-CE2 4.25Å; V526-F584 HydrophobicContact CG1-CZ 4.44Å
527	I	73.1	Confident	86	Confident	6 Å²	6	43.8 Å²	43.8	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-83.8	-47.6	-176.9	-69.7	167	0	0	0	112.5	Q523 C524 Q525 L573 V603 F605 P614	Q523-I527 HydrophobicContact CG-CD1 4.07Å; Q523-I527 WeakPolarHBondContact O-CD1 3.44Å; Q523-I527 VanDerWaalsContact O-CG1 3.3Å; Q523-I527 WeakPolarHBondContact O-CG1 3.34Å; Q523-I527 PolarHBondContact O-N 3.23Å; C524-I527 PolarHBondContact O-N 3.33Å; Q525-I527 VanDerWaalsContact C-N 3.31Å; I527-L573 HydrophobicContact CD1-CD2 3.69Å; I527-V603 HydrophobicContact CD1-CG1 4.37Å; I527-V603 HydrophobicContact CG2-CB 4.42Å; I527-V603 HydrophobicContact CG2-CG1 4.1Å; I527-V603 HydrophobicContact CG2-CG2 4.34Å; I527-F605 HydrophobicContact CB-CZ 4.5Å; I527-F605 HydrophobicContact CD1-CE2 4.31Å; I527-F605 HydrophobicContact CG1-CE2 4.1Å; I527-F605 HydrophobicContact CG1-CZ 4.2Å; I527-F605 HydrophobicContact CG2-CE2 4.02Å; I527-F605 HydrophobicContact CG2-CZ 3.9Å; I527-P614 VanDerWaalsContact CD1-O 3.31Å; I527-P614 WeakPolarHBondContact CD1-O 2.91Å
528	F	79.1	Confident	86.4	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-116.9	9.8	-167.4	-67.5	-63.3	0	0	0	114.3	C524 A532 C575 V578 I590 V603	C524-F528 WeakPolarHBondContact O-CB 3.23Å; C524-F528 PolarHBondContact O-N 3.15Å; F528-A532 HydrophobicContact CB-CB 3.64Å; F528-C575 HydrophobicContact CD2-CB 3.88Å; F528-C575 HydrophobicContact CE2-CB 3.83Å; F528-V578 HydrophobicContact CB-CB 4.47Å; F528-V578 HydrophobicContact CB-CG1 4.14Å; F528-V578 HydrophobicContact CB-CG2 3.97Å; F528-V578 HydrophobicContact CD1-CB 4.29Å; F528-V578 HydrophobicContact CD1-CG1 3.44Å; F528-V578 VanDerWaalsContact CD1-CG1 3.44Å; F528-V578 HydrophobicContact CD1-CG2 3.85Å; F528-V578 HydrophobicContact CD2-CG2 3.66Å; F528-V578 HydrophobicContact CE1-CG1 3.88Å; F528-V578 HydrophobicContact CE1-CG2 4.12Å; F528-V578 HydrophobicContact CE2-CG2 3.94Å; F528-V578 HydrophobicContact CG-CB 4.34Å; F528-V578 HydrophobicContact CG-CG1 3.91Å; F528-V578 HydrophobicContact CG-CG2 3.58Å; F528-V578 HydrophobicContact CZ-CG2 4.14Å; F528-I590 HydrophobicContact CE1-CD1 4.08Å; F528-I590 HydrophobicContact CE1-CG1 4.28Å; F528-I590 HydrophobicContact CE1-CG2 4.27Å; F528-I590 HydrophobicContact CZ-CG2 4.48Å; F528-V603 HydrophobicContact CE2-CB 4.36Å; F528-V603 HydrophobicContact CZ-CB 3.79Å; F528-V603 HydrophobicContact CZ-CG2 4.26Å
529	G	79	Confident	86.9	Confident	9 Å²	9	44.8 Å²	44.8	9%	0.093	24%	0.24	C	C	.	.			trans	85.4	164.2	-178.3	0	0	0	0	0	114	Q525 K531 A532	Q525-G529 WeakPolarHBondContact CA-O 3.47Å; Q525-G529 CarbonylContact O-C 3.5Å; Q525-G529 VanDerWaalsContact O-CA 3.26Å; Q525-G529 WeakPolarHBondContact O-CA 3.43Å; Q525-G529 PolarHBondContact O-N 2.02Å; G529-K531 PolarHBondContact O-N 3.08Å; G529-A532 WeakPolarHBondContact O-CB 3.36Å; G529-A532 PolarHBondContact O-N 2.79Å
530	S	81.6	Confident	87.2	Confident	100 Å²	100	42.2 Å²	42.2	70%	0.699	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-11	-164.9	59.3	0	0	0	0	116.8
531	K	86.9	Confident	87.2	Confident	97 Å²	97	43 Å²	43	42%	0.422	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-20	176.8	-58.7	173.7	-166.1	143.2	0	113.3	G529 N577 Q579 E580	G529-K531 PolarHBondContact O-N 3.08Å; K531-N577 WeakPolarHBondContact O-CB 3.27Å; K531-Q579 HydrophobicContact CD-CB 4.47Å; K531-Q579 HydrophobicContact CD-CG 4.42Å; K531-E580 IonicContact NZ-OE1 3.72Å; K531-E580 PolarHBondContact NZ-OE1 3.28Å
532	A	89.2	Confident	87.3	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.238	C	C	.	.			trans	-68.5	155.4	-177.4	0	0	0	0	0	111.9	C524 Q525 F528 G529 E576	C524-A532 HydrophobicContact CB-CB 4.19Å; Q525-A532 WeakPolarHBondContact CG-O 3.45Å; Q525-A532 PolarHBondContact NE2-O 2.87Å; F528-A532 HydrophobicContact CB-CB 3.64Å; G529-A532 WeakPolarHBondContact O-CB 3.36Å; G529-A532 PolarHBondContact O-N 2.79Å; A532-E576 WeakPolarHBondContact CA-O 3.24Å
533	K	93.3	Very high	87.8	Confident	102 Å²	102	42.6 Å²	42.6	44%	0.443	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	166.3	177.8	-64.6	-174.2	-178.8	177.4	0	110.5	C524 C575 E576	C524-K533 PolarHBondContact SG-O 3.25Å; C524-K533 VanDerWaalsContact SG-O 3.37Å; K533-C575 CarbonylContact O-C 3.53Å; K533-C575 WeakPolarHBondContact O-CA 3.45Å; K533-C575 WeakPolarHBondContact O-CB 3.46Å; K533-E576 HydrophobicContact CB-CG 4.24Å; K533-E576 PolarHBondContact N-O 2.92Å; K533-E576 PolarHBondContact O-N 3.08Å
534	A	93.9	Very high	88.4	Confident	25 Å²	25	42 Å²	42	21%	0.207	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	136.2	168.5	0	0	0	0	0	111.2	Y520 D521	Y520-A534 VanDerWaalsContact CB-CB 3.42Å; Y520-A534 HydrophobicContact CG-CB 4.37Å; D521-A534 WeakPolarHBondContact OD1-CB 3.45Å; D521-A534 PolarHBondContact OD1-N 3.14Å
535	A	94.1	Very high	88.7	Confident	8 Å²	8	44.8 Å²	44.8	7%	0.066	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-69	160.2	173.5	0	0	0	0	0	111.5	C539 F540 Q574	A535-C539 HydrophobicContact CB-CB 3.69Å; A535-F540 HydrophobicContact CB-CE2 4.44Å; A535-F540 WeakPolarHBondContact O-CE2 3.38Å; A535-Q574 HydrophobicContact CB-CB 3.84Å; A535-Q574 WeakPolarHBondContact CB-O 3.07Å; A535-Q574 PolarHBondContact N-O 2.73Å
536	P	93.6	Very high	89.1	Confident	55 Å²	55	45.1 Å²	45.1	36%	0.357	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-53.4	149.1	172	-26.7	35.5	0	0	0	112.5	D538 C539 T598	P536-D538 PolarHBondContact O-N 2.88Å; P536-C539 VanDerWaalsContact O-CB 3.27Å; P536-C539 WeakPolarHBondContact O-CB 3.49Å; P536-C539 PolarHBondContact O-N 3.43Å; P536-T598 HydrophobicContact CG-CG2 4.34Å
537	K	92.4	Very high	89.8	Confident	122 Å²	122	41.5 Å²	41.5	53%	0.53	23%	0.225	S	C	.	.	H	α-helix	trans	-53.5	-31.3	-178.6	-176.3	173.8	-178.7	173.3	0	113.6	C539 F540 I541 L569	K537-C539 VanDerWaalsContact C-N 3.3Å; K537-C539 PolarHBondContact O-N 3.46Å; K537-F540 PolarHBondContact O-N 3.26Å; K537-I541 HydrophobicContact CD-CD1 4.47Å; K537-I541 HydrophobicContact CG-CD1 4Å; K537-I541 HydrophobicContact CG-CG1 4.4Å; K537-I541 WeakPolarHBondContact O-CG1 2.98Å; K537-I541 PolarHBondContact O-N 3.16Å; K537-L569 HydrophobicContact CD-CD1 3.99Å; K537-L569 HydrophobicContact CG-CD1 4.18Å; K537-L569 HydrophobicContact CG-CD2 4.33Å; K537-L569 HydrophobicContact CG-CG 4.36Å
538	D	91.9	Very high	90.5	Very high	63 Å²	63	43.8 Å²	43.8	34%	0.337	24%	0.237	S	C	.	.	H	α-helix	trans	-60.5	-36.2	175.5	-73.3	-0.9	0	0	0	112.4	P536 I541 E542 R596	P536-D538 PolarHBondContact O-N 2.88Å; D538-I541 PolarHBondContact O-N 2.64Å; D538-E542 VanDerWaalsContact O-CB 3.28Å; D538-E542 WeakPolarHBondContact O-CB 3.39Å; D538-E542 PolarHBondContact O-N 3.33Å; D538-R596 IonicContact OD1-NH1 2.73Å; D538-R596 WeakPolarHBondContact OD2-CD 3.32Å; D538-R596 IonicContact OD2-CZ 3.46Å; D538-R596 IonicContact OD2-NE 2.76Å; D538-R596 IonicContact OD2-NH1 3.52Å; D538-R596 PolarHBondContact OD2-NH1 3.28Å
539	C	93.6	Very high	90.6	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.014	25%	0.247	C	C	.	.	H	α-helix	trans	-61	-46.9	173.1	-75.2	0	0	0	0	111.9	A535 P536 K537 I541 V543 Q574 C600	A535-C539 HydrophobicContact CB-CB 3.69Å; P536-C539 VanDerWaalsContact O-CB 3.27Å; P536-C539 WeakPolarHBondContact O-CB 3.49Å; P536-C539 PolarHBondContact O-N 3.43Å; K537-C539 VanDerWaalsContact C-N 3.3Å; K537-C539 PolarHBondContact O-N 3.46Å; C539-I541 PolarHBondContact O-N 2.65Å; C539-V543 VanDerWaalsContact O-CB 3.26Å; C539-V543 WeakPolarHBondContact O-CB 3.29Å; C539-V543 VanDerWaalsContact O-CG2 3.31Å; C539-V543 WeakPolarHBondContact O-CG2 3.03Å; C539-V543 PolarHBondContact O-N 2.04Å; C539-Q574 HydrophobicContact CB-CB 4.13Å; C539-Q574 HydrophobicContact CB-CG 4.47Å; C539-C600 VanDerWaalsContact CA-SG 3.53Å; C539-C600 HydrophobicContact CB-CB 3.6Å; C539-C600 WeakPolarHBondContact CB-SG 3.36Å; C539-C600 WeakPolarHBondContact SG-CB 3.49Å; C539-C600 CovalentContact SG-SG 2.03Å; C539-C600 PolarHBondContact SG-SG 2.94Å
540	F	94.9	Very high	91	Very high	3 Å²	3	47.6 Å²	47.6	1%	0.013	25%	0.25	C	S	.	.	H	α-helix	trans	-62.3	-42.8	177.3	-74.9	-97	0	0	0	111.5	Y520 A535 K537 N544 L569 L573 Q574 V617	Y520-F540 HydrophobicContact CD1-CE1 4.14Å; Y520-F540 AromaticContact CD1-CZ 3.92Å; Y520-F540 HydrophobicContact CD1-CZ 3.92Å; Y520-F540 HydrophobicContact CE1-CE1 4.15Å; Y520-F540 HydrophobicContact CE1-CZ 4.29Å; A535-F540 HydrophobicContact CB-CE2 4.44Å; A535-F540 WeakPolarHBondContact O-CE2 3.38Å; K537-F540 PolarHBondContact O-N 3.26Å; F540-N544 WeakPolarHBondContact O-CB 3.48Å; F540-N544 VanDerWaalsContact O-CG 3.3Å; F540-N544 PolarHBondContact O-N 3.15Å; F540-L569 HydrophobicContact CB-CD2 3.98Å; F540-L569 HydrophobicContact CD1-CD2 4.1Å; F540-L569 HydrophobicContact CD2-CD2 3.96Å; F540-L569 HydrophobicContact CE2-CD2 4.45Å; F540-L569 HydrophobicContact CG-CD2 3.77Å; F540-L573 HydrophobicContact CE1-CD1 4.44Å; F540-L573 HydrophobicContact CZ-CD1 4.25Å; F540-Q574 HydrophobicContact CD1-CB 4.36Å; F540-Q574 HydrophobicContact CD1-CG 4.11Å; F540-Q574 HydrophobicContact CD2-CB 3.99Å; F540-Q574 HydrophobicContact CD2-CG 4.36Å; F540-Q574 HydrophobicContact CE1-CB 4.29Å; F540-Q574 HydrophobicContact CE1-CG 4.4Å; F540-Q574 HydrophobicContact CE2-CB 3.89Å; F540-Q574 WeakPolarHBondContact CE2-O 3.3Å; F540-Q574 HydrophobicContact CG-CB 4.23Å; F540-Q574 HydrophobicContact CG-CG 4.1Å; F540-Q574 HydrophobicContact CZ-CB 4.05Å; F540-Q574 VanDerWaalsContact CZ-O 3.32Å; F540-Q574 WeakPolarHBondContact CZ-O 3.2Å; F540-V617 HydrophobicContact CE1-CG2 3.97Å
541	I	93.9	Very high	91.4	Very high	48 Å²	48	42.9 Å²	42.9	25%	0.246	22%	0.217	C	C	.	.	H	α-helix	trans	-65.1	-53.4	177.6	-67.7	169.7	0	0	0	110.9	K537 D538 C539 S545 T565 A568	K537-I541 HydrophobicContact CD-CD1 4.47Å; K537-I541 HydrophobicContact CG-CD1 4Å; K537-I541 HydrophobicContact CG-CG1 4.4Å; K537-I541 WeakPolarHBondContact O-CG1 2.98Å; K537-I541 PolarHBondContact O-N 3.16Å; D538-I541 PolarHBondContact O-N 2.64Å; C539-I541 PolarHBondContact O-N 2.65Å; I541-S545 WeakPolarHBondContact O-CB 3.48Å; I541-S545 PolarHBondContact O-N 2.83Å; I541-S545 VanDerWaalsContact O-N 3.11Å; I541-S545 PolarHBondContact O-OG 2.81Å; I541-S545 VanDerWaalsContact O-OG 3.09Å; I541-T565 HydrophobicContact CD1-CG2 4.1Å; I541-T565 HydrophobicContact CG1-CG2 4.21Å; I541-T565 HydrophobicContact CG2-CG2 4.03Å; I541-A568 HydrophobicContact CG1-CB 4.06Å
542	E	92.3	Very high	91.7	Very high	77 Å²	77	38.4 Å²	38.4	36%	0.36	20%	0.198	S	C	.	.	H	α-helix	trans	-64.4	-52.3	-175	-169.5	-174.1	141.3	0	0	111.1	D538 S545 S595	D538-E542 VanDerWaalsContact O-CB 3.28Å; D538-E542 WeakPolarHBondContact O-CB 3.39Å; D538-E542 PolarHBondContact O-N 3.33Å; E542-S545 PolarHBondContact O-OG 2.73Å; E542-S595 VanDerWaalsContact OE2-CB 3.27Å; E542-S595 WeakPolarHBondContact OE2-CB 3.07Å; E542-S595 PolarHBondContact OE2-OG 3.3Å
543	V	93.7	Very high	91.7	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-67.4	-51.2	-178.2	-177.9	0	0	0	0	110.5	C539 S545 K546 F550 G551 Q574 T593 C600	C539-V543 VanDerWaalsContact O-CB 3.26Å; C539-V543 WeakPolarHBondContact O-CB 3.29Å; C539-V543 VanDerWaalsContact O-CG2 3.31Å; C539-V543 WeakPolarHBondContact O-CG2 3.03Å; C539-V543 PolarHBondContact O-N 2.04Å; V543-S545 VanDerWaalsContact C-N 3.26Å; V543-S545 PolarHBondContact O-N 2.94Å; V543-K546 VanDerWaalsContact O-CB 3.3Å; V543-K546 WeakPolarHBondContact O-CB 3.48Å; V543-K546 WeakPolarHBondContact O-CG 2.96Å; V543-K546 PolarHBondContact O-N 3.28Å; V543-K546 VanDerWaalsContact O-N 3.09Å; V543-F550 WeakPolarHBondContact CG1-O 3.49Å; V543-G551 WeakPolarHBondContact O-CA 3.4Å; V543-Q574 HydrophobicContact CB-CG 4.46Å; V543-Q574 VanDerWaalsContact CG1-NE2 3.28Å; V543-T593 HydrophobicContact CG2-CG2 4.03Å; V543-C600 HydrophobicContact CG2-CB 4.39Å
544	N	95.5	Very high	90.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-76.7	-10.9	-171.5	-52.7	-16.2	0	0	0	114.1	F540 K546 G551 C563 A568 K572 Q574	F540-N544 WeakPolarHBondContact O-CB 3.48Å; F540-N544 VanDerWaalsContact O-CG 3.3Å; F540-N544 PolarHBondContact O-N 3.15Å; N544-K546 VanDerWaalsContact C-N 3.31Å; N544-G551 WeakPolarHBondContact OD1-CA 3.22Å; N544-C563 HydrophobicContact CB-CB 4.07Å; N544-C563 VanDerWaalsContact CB-SG 3.51Å; N544-C563 VanDerWaalsContact O-CB 3.26Å; N544-C563 WeakPolarHBondContact O-CB 3.48Å; N544-C563 PolarHBondContact O-N 2.89Å; N544-A568 PolarHBondContact ND2-O 3.4Å; N544-K572 PolarHBondContact ND2-N 3.44Å; N544-K572 PolarHBondContact ND2-O 3.43Å; N544-K572 PolarHBondContact OD1-O 2.8Å; N544-Q574 PolarHBondContact OD1-NE2 3.18Å
545	S	94.1	Very high	89.6	Confident	58 Å²	58	36.4 Å²	36.4	41%	0.406	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-18.7	169	71.2	0	0	0	0	113.9	I541 E542 V543 G547	I541-S545 WeakPolarHBondContact O-CB 3.48Å; I541-S545 PolarHBondContact O-N 2.83Å; I541-S545 VanDerWaalsContact O-N 3.11Å; I541-S545 PolarHBondContact O-OG 2.81Å; I541-S545 VanDerWaalsContact O-OG 3.09Å; E542-S545 PolarHBondContact O-OG 2.73Å; V543-S545 VanDerWaalsContact C-N 3.26Å; V543-S545 PolarHBondContact O-N 2.94Å; S545-G547 PolarHBondContact O-N 3.04Å
546	K	91.9	Very high	87.7	Confident	77 Å²	77	39.8 Å²	39.8	34%	0.335	21%	0.21	S	C	.	.	S	Bend	trans	-65.2	-40.8	-176.9	-65	174	-175.1	178.1	0	112.3	V543 N544 D548 K562	V543-K546 VanDerWaalsContact O-CB 3.3Å; V543-K546 WeakPolarHBondContact O-CB 3.48Å; V543-K546 WeakPolarHBondContact O-CG 2.96Å; V543-K546 PolarHBondContact O-N 3.28Å; V543-K546 VanDerWaalsContact O-N 3.09Å; N544-K546 VanDerWaalsContact C-N 3.31Å; K546-D548 HydrophobicContact CB-CB 4.45Å; K546-D548 WeakPolarHBondContact CB-OD2 3.48Å; K546-D548 WeakPolarHBondContact CD-OD2 3.31Å; K546-K562 VanDerWaalsContact O-CE 3.3Å; K546-K562 WeakPolarHBondContact O-CE 3.49Å; K546-K562 PolarHBondContact O-NZ 3.4Å
547	G	88.6	Confident	86.1	Confident	14 Å²	14	40.4 Å²	40.4	14%	0.144	23%	0.225	C	C	.	.			trans	72.2	50.9	-172.1	0	0	0	0	0	110.8	S545 G551 Y560	S545-G547 PolarHBondContact O-N 3.04Å; G547-G551 CarbonylContact C-O 3.33Å; G547-G551 VanDerWaalsContact CA-O 3.24Å; G547-G551 WeakPolarHBondContact CA-O 3.08Å; G547-G551 PolarHBondContact N-O 3.23Å; G547-Y560 WeakPolarHBondContact CA-O 3Å; G547-Y560 WeakPolarHBondContact O-CB 3.47Å
548	D	87.6	Confident	84.6	Confident	54 Å²	54	41.2 Å²	41.2	29%	0.289	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-124.4	178.6	178.4	71.3	48.7	0	0	0	111.2	K546 F550 G551 N552	K546-D548 HydrophobicContact CB-CB 4.45Å; K546-D548 WeakPolarHBondContact CB-OD2 3.48Å; K546-D548 WeakPolarHBondContact CD-OD2 3.31Å; D548-F550 PolarHBondContact O-N 2.94Å; D548-F550 VanDerWaalsContact O-N 3.14Å; D548-F550 WeakPolarHBondContact OD1-CA 3.25Å; D548-F550 PolarHBondContact OD1-N 3.12Å; D548-G551 PolarHBondContact N-O 3.12Å; D548-G551 CarbonylContact O-C 3.32Å; D548-G551 PolarHBondContact O-N 2.9Å; D548-G551 VanDerWaalsContact O-N 3.16Å; D548-G551 PolarHBondContact OD1-N 2.58Å; D548-N552 PolarHBondContact O-ND2 2.86Å
549	R	81.4	Confident	83.7	Confident	59 Å²	59	44.4 Å²	44.4	22%	0.223	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-27.8	-178.2	179.7	174.9	173.9	171.4	-1	114.5	Y560 K572 D604	R549-Y560 HydrophobicContact CB-CD2 4.46Å; R549-Y560 HydrophobicContact CB-CE2 3.8Å; R549-Y560 HydrophobicContact CG-CE2 4.4Å; R549-K572 WeakPolarHBondContact O-CE 3.44Å; R549-K572 PolarHBondContact O-NZ 3.49Å; R549-D604 IonicContact CZ-OD2 3.7Å; R549-D604 VanDerWaalsContact CZ-OD2 3.28Å; R549-D604 IonicContact NE-OD2 3.36Å; R549-D604 PolarHBondContact NE-OD2 3.1Å; R549-D604 IonicContact NH2-OD2 3.81Å; R549-D604 PolarHBondContact NH2-OD2 3.19Å
550	F	86.4	Confident	83.1	Confident	35 Å²	35	46.9 Å²	46.9	15%	0.154	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-5.7	-179.3	-57.7	-86.5	0	0	0	113.3	V543 D548 K572 Q574 A589 I591 D604	V543-F550 WeakPolarHBondContact CG1-O 3.49Å; D548-F550 PolarHBondContact O-N 2.94Å; D548-F550 VanDerWaalsContact O-N 3.14Å; D548-F550 WeakPolarHBondContact OD1-CA 3.25Å; D548-F550 PolarHBondContact OD1-N 3.12Å; F550-K572 VanDerWaalsContact O-CB 3.27Å; F550-K572 WeakPolarHBondContact O-CB 3.25Å; F550-K572 WeakPolarHBondContact O-CG 3.49Å; F550-Q574 PolarHBondContact O-NE2 3.03Å; F550-Q574 VanDerWaalsContact O-NE2 3.09Å; F550-A589 HydrophobicContact CE1-CB 3.78Å; F550-A589 HydrophobicContact CZ-CB 3.75Å; F550-I591 HydrophobicContact CB-CD1 4.5Å; F550-I591 HydrophobicContact CB-CG2 3.63Å; F550-I591 HydrophobicContact CD1-CB 3.94Å; F550-I591 HydrophobicContact CD1-CG2 3.59Å; F550-I591 HydrophobicContact CD2-CB 4.41Å; F550-I591 HydrophobicContact CD2-CD1 3.88Å; F550-I591 HydrophobicContact CD2-CG2 4.36Å; F550-I591 HydrophobicContact CE1-CB 4.2Å; F550-I591 HydrophobicContact CE1-CG2 4.33Å; F550-I591 HydrophobicContact CE2-CD1 4.32Å; F550-I591 HydrophobicContact CG-CB 4.05Å; F550-I591 HydrophobicContact CG-CD1 4.18Å; F550-I591 HydrophobicContact CG-CG2 3.6Å; F550-D604 HydrophobicContact CD1-CB 3.88Å; F550-D604 HydrophobicContact CE1-CB 3.55Å; F550-D604 HydrophobicContact CZ-CB 4.36Å
551	G	90.9	Very high	82.8	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-145.6	91.4	179.8	0	0	0	0	0	114.1	V543 N544 G547 D548	V543-G551 WeakPolarHBondContact O-CA 3.4Å; N544-G551 WeakPolarHBondContact OD1-CA 3.22Å; G547-G551 CarbonylContact C-O 3.33Å; G547-G551 VanDerWaalsContact CA-O 3.24Å; G547-G551 WeakPolarHBondContact CA-O 3.08Å; G547-G551 PolarHBondContact N-O 3.23Å; D548-G551 PolarHBondContact N-O 3.12Å; D548-G551 CarbonylContact O-C 3.32Å; D548-G551 PolarHBondContact O-N 2.9Å; D548-G551 VanDerWaalsContact O-N 3.16Å; D548-G551 PolarHBondContact OD1-N 2.58Å
552	N	91.7	Very high	82.8	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.021	29%	0.293	C	S	.	.			trans	-153.4	169.5	179.9	64.2	77.2	0	0	0	112.8	D548 G554 Y560 K561 C563 G571 K572	D548-N552 PolarHBondContact O-ND2 2.86Å; N552-G554 WeakPolarHBondContact OD1-CA 3.29Å; N552-G554 PolarHBondContact OD1-N 3.33Å; N552-Y560 HydrophobicContact CB-CD1 4.07Å; N552-Y560 HydrophobicContact CB-CG 4.37Å; N552-Y560 VanDerWaalsContact ND2-CD1 3.27Å; N552-Y560 WeakPolarHBondContact ND2-CD1 3.31Å; N552-K561 CarbonylContact C-O 3.2Å; N552-K561 WeakPolarHBondContact CA-O 3.29Å; N552-K561 WeakPolarHBondContact CB-O 3.4Å; N552-C563 VanDerWaalsContact C-SG 3.5Å; N552-G571 CarbonylContact O-C 3.55Å; N552-G571 WeakPolarHBondContact O-CA 3.31Å; N552-K572 PolarHBondContact O-N 2.04Å
553	C	89.1	Confident	82.9	Confident	7 Å²	7	52.2 Å²	52.2	5%	0.047	28%	0.279	C	S	.	.	S	Bend	trans	-109.1	57.2	169.9	-87.2	0	0	0	0	110.2	K561 C563 N567 F632	C553-K561 PolarHBondContact N-O 3.1Å; C553-C563 VanDerWaalsContact CA-SG 3.51Å; C553-C563 HydrophobicContact CB-CB 4.05Å; C553-C563 WeakPolarHBondContact CB-SG 3.43Å; C553-C563 PolarHBondContact N-SG 2.94Å; C553-C563 VanDerWaalsContact SG-CA 3.51Å; C553-C563 WeakPolarHBondContact SG-CB 3.18Å; C553-C563 CovalentContact SG-SG 2.02Å; C553-C563 PolarHBondContact SG-SG 3.1Å; C553-N567 PolarHBondContact SG-O 3.26Å; C553-N567 VanDerWaalsContact SG-O 3.41Å; C553-F632 HydrophobicContact CB-CB 4.06Å; C553-F632 WeakPolarHBondContact O-CB 3.5Å; C553-F632 PolarHBondContact SG-O 2.03Å
554	G	75.2	Confident	82.9	Confident	4 Å²	4	55.2 Å²	55.2	4%	0.041	30%	0.304	C	S	.	.			trans	82.3	-177.9	-178.4	0	0	0	0	0	113.8	N552 K561	N552-G554 WeakPolarHBondContact OD1-CA 3.29Å; N552-G554 PolarHBondContact OD1-N 3.33Å; G554-K561 WeakPolarHBondContact O-CB 3.37Å; G554-K561 PolarHBondContact O-N 3.48Å
555	F	68.7	Low	82.7	Confident	74 Å²	74	60 Å²	60	33%	0.325	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	148.1	-177.7	-153	-118.7	0	0	0	110.7	G557 N558 Y560	F555-G557 VanDerWaalsContact CE1-O 3.29Å; F555-G557 WeakPolarHBondContact CE1-O 3.46Å; F555-N558 WeakPolarHBondContact CZ-O 3.13Å; F555-Y560 AromaticContact CD2-CD1 3.64Å; F555-Y560 HydrophobicContact CD2-CD1 3.64Å; F555-Y560 AromaticContact CD2-CE1 3.73Å; F555-Y560 HydrophobicContact CD2-CE1 3.73Å; F555-Y560 HydrophobicContact CD2-CG 4.13Å; F555-Y560 HydrophobicContact CE2-CD1 4.1Å; F555-Y560 HydrophobicContact CE2-CD2 4.34Å; F555-Y560 HydrophobicContact CE2-CE1 4.06Å; F555-Y560 HydrophobicContact CE2-CE2 4.32Å; F555-Y560 HydrophobicContact CE2-CG 4.23Å
556	S	54.9	Low	82.6	Confident	79 Å²	79	60 Å²	60	55%	0.552	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.4	114.4	179	-169.1	0	0	0	0	110.8	N558 E559	S556-N558 PolarHBondContact O-N 3.25Å; S556-N558 VanDerWaalsContact O-N 3.17Å; S556-E559 PolarHBondContact N-O 2.8Å; S556-E559 PolarHBondContact O-N 2.74Å
557	G	60.4	Low	82.8	Confident	67 Å²	67	58.2 Å²	58.2	69%	0.691	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	-110.1	-167.8	0	0	0	0	0	109.8	F555	F555-G557 VanDerWaalsContact CE1-O 3.29Å; F555-G557 WeakPolarHBondContact CE1-O 3.46Å
558	N	59.1	Low	83.1	Confident	139 Å²	139	57.6 Å²	57.6	74%	0.743	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.2	10.4	175.7	-68.7	-16.7	0	0	0	113.2	F555 S556	F555-N558 WeakPolarHBondContact CZ-O 3.13Å; S556-N558 PolarHBondContact O-N 3.25Å; S556-N558 VanDerWaalsContact O-N 3.17Å
559	E	73.5	Confident	83.5	Confident	130 Å²	130	56.2 Å²	56.2	61%	0.607	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.8	144.6	-175.7	-162.4	-178.5	165	0	0	112.5	S556 K561	S556-E559 PolarHBondContact N-O 2.8Å; S556-E559 PolarHBondContact O-N 2.74Å; E559-K561 PolarHBondContact O-N 3.2Å
560	Y	81.6	Confident	84.2	Confident	54 Å²	54	53.4 Å²	53.4	21%	0.212	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	116.2	171.7	-77.2	-62.4	0	0	0	110.9	G547 R549 N552 F555 K562	G547-Y560 WeakPolarHBondContact CA-O 3Å; G547-Y560 WeakPolarHBondContact O-CB 3.47Å; R549-Y560 HydrophobicContact CB-CD2 4.46Å; R549-Y560 HydrophobicContact CB-CE2 3.8Å; R549-Y560 HydrophobicContact CG-CE2 4.4Å; N552-Y560 HydrophobicContact CB-CD1 4.07Å; N552-Y560 HydrophobicContact CB-CG 4.37Å; N552-Y560 VanDerWaalsContact ND2-CD1 3.27Å; N552-Y560 WeakPolarHBondContact ND2-CD1 3.31Å; F555-Y560 AromaticContact CD2-CD1 3.64Å; F555-Y560 HydrophobicContact CD2-CD1 3.64Å; F555-Y560 AromaticContact CD2-CE1 3.73Å; F555-Y560 HydrophobicContact CD2-CE1 3.73Å; F555-Y560 HydrophobicContact CD2-CG 4.13Å; F555-Y560 HydrophobicContact CE2-CD1 4.1Å; F555-Y560 HydrophobicContact CE2-CD2 4.34Å; F555-Y560 HydrophobicContact CE2-CE1 4.06Å; F555-Y560 HydrophobicContact CE2-CE2 4.32Å; F555-Y560 HydrophobicContact CE2-CG 4.23Å; Y560-K562 PolarHBondContact O-N 2.66Å
561	K	87.9	Confident	84.5	Confident	106 Å²	106	51.8 Å²	51.8	46%	0.461	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-72.3	120.4	-173.4	-173.1	175.7	-178.3	177.3	0	111.3	N552 C553 G554 E559 C563	N552-K561 CarbonylContact C-O 3.2Å; N552-K561 WeakPolarHBondContact CA-O 3.29Å; N552-K561 WeakPolarHBondContact CB-O 3.4Å; C553-K561 PolarHBondContact N-O 3.1Å; G554-K561 WeakPolarHBondContact O-CB 3.37Å; G554-K561 PolarHBondContact O-N 3.48Å; E559-K561 PolarHBondContact O-N 3.2Å; K561-C563 PolarHBondContact O-N 2.96Å
562	K	93.6	Very high	84.6	Confident	125 Å²	125	52 Å²	52	54%	0.543	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-59.8	128.2	172.8	-63.4	179.3	-165	-115.2	0	110.2	K546 Y560 A564	K546-K562 VanDerWaalsContact O-CE 3.3Å; K546-K562 WeakPolarHBondContact O-CE 3.49Å; K546-K562 PolarHBondContact O-NZ 3.4Å; Y560-K562 PolarHBondContact O-N 2.66Å; K562-A564 PolarHBondContact O-N 2.76Å
563	C	94.3	Very high	84.7	Confident	10 Å²	10	51.8 Å²	51.8	7%	0.068	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-70.2	130.3	172.7	-69.9	0	0	0	0	110.8	N544 N552 C553 K561 A568	N544-C563 HydrophobicContact CB-CB 4.07Å; N544-C563 VanDerWaalsContact CB-SG 3.51Å; N544-C563 VanDerWaalsContact O-CB 3.26Å; N544-C563 WeakPolarHBondContact O-CB 3.48Å; N544-C563 PolarHBondContact O-N 2.89Å; N552-C563 VanDerWaalsContact C-SG 3.5Å; C553-C563 VanDerWaalsContact CA-SG 3.51Å; C553-C563 HydrophobicContact CB-CB 4.05Å; C553-C563 WeakPolarHBondContact CB-SG 3.43Å; C553-C563 PolarHBondContact N-SG 2.94Å; C553-C563 VanDerWaalsContact SG-CA 3.51Å; C553-C563 WeakPolarHBondContact SG-CB 3.18Å; C553-C563 CovalentContact SG-SG 2.02Å; C553-C563 PolarHBondContact SG-SG 3.1Å; K561-C563 PolarHBondContact O-N 2.96Å; C563-A568 HydrophobicContact CB-CB 4.2Å
564	A	94.8	Very high	85	Confident	63 Å²	63	51.5 Å²	51.5	52%	0.521	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-62.8	146.9	156.3	0	0	0	0	0	109.4	K562 G566 N567 A568	K562-A564 PolarHBondContact O-N 2.76Å; A564-G566 PolarHBondContact O-N 2.93Å; A564-N567 WeakPolarHBondContact O-CA 3.41Å; A564-N567 PolarHBondContact O-N 2.03Å; A564-A568 PolarHBondContact O-N 2.84Å; A564-A568 VanDerWaalsContact O-N 3.12Å
565	T	91.9	Very high	85.8	Confident	102 Å²	102	51.3 Å²	51.3	63%	0.626	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-31.5	-173.5	-40.8	0	0	0	0	114.1	I541	I541-T565 HydrophobicContact CD1-CG2 4.1Å; I541-T565 HydrophobicContact CG1-CG2 4.21Å; I541-T565 HydrophobicContact CG2-CG2 4.03Å
566	G	91.8	Very high	86.9	Confident	57 Å²	57	50 Å²	50	59%	0.588	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-25.9	174.8	0	0	0	0	0	114.7	A564 C634	A564-G566 PolarHBondContact O-N 2.93Å; G566-C634 WeakPolarHBondContact O-CB 3.43Å
567	N	95.4	Very high	88.4	Confident	39 Å²	39	49.8 Å²	49.8	21%	0.209	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-7.3	-178.8	-67.6	-19.9	0	0	0	113.3	C553 A564 L569 C570 C634	C553-N567 PolarHBondContact SG-O 3.26Å; C553-N567 VanDerWaalsContact SG-O 3.41Å; A564-N567 WeakPolarHBondContact O-CA 3.41Å; A564-N567 PolarHBondContact O-N 2.03Å; N567-L569 PolarHBondContact O-N 3.14Å; N567-C570 WeakPolarHBondContact O-CA 3Å; N567-C570 PolarHBondContact O-N 3.23Å; N567-C634 PolarHBondContact OD1-N 2.65Å
568	A	95.6	Very high	89.3	Confident	2 Å²	2	47.5 Å²	47.5	2%	0.017	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-54	-31.7	-176.5	0	0	0	0	0	114.1	I541 N544 C563 A564 C570 G571	I541-A568 HydrophobicContact CG1-CB 4.06Å; N544-A568 PolarHBondContact ND2-O 3.4Å; C563-A568 HydrophobicContact CB-CB 4.2Å; A564-A568 PolarHBondContact O-N 2.84Å; A564-A568 VanDerWaalsContact O-N 3.12Å; A568-C570 PolarHBondContact O-N 3.24Å; A568-G571 PolarHBondContact O-N 2.93Å
569	L	96.3	Very high	89.6	Confident	24 Å²	24	47.1 Å²	47.1	13%	0.126	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-74.4	1.8	174.8	-78	172.5	0	0	0	114.7	Y520 K537 F540 N567 C623 C629	Y520-L569 VanDerWaalsContact CE1-O 3.27Å; Y520-L569 WeakPolarHBondContact CE1-O 3.45Å; Y520-L569 PolarHBondContact OH-O 3.2Å; K537-L569 HydrophobicContact CD-CD1 3.99Å; K537-L569 HydrophobicContact CG-CD1 4.18Å; K537-L569 HydrophobicContact CG-CD2 4.33Å; K537-L569 HydrophobicContact CG-CG 4.36Å; F540-L569 HydrophobicContact CB-CD2 3.98Å; F540-L569 HydrophobicContact CD1-CD2 4.1Å; F540-L569 HydrophobicContact CD2-CD2 3.96Å; F540-L569 HydrophobicContact CE2-CD2 4.45Å; F540-L569 HydrophobicContact CG-CD2 3.77Å; N567-L569 PolarHBondContact O-N 3.14Å; L569-C623 HydrophobicContact CB-CB 4.06Å; L569-C623 WeakPolarHBondContact CD1-O 3.44Å; L569-C629 PolarHBondContact O-SG 3.49Å; L569-C629 VanDerWaalsContact O-SG 3.39Å
570	C	95.6	Very high	88.7	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.007	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-125.3	16.3	176.7	-59	0	0	0	0	112.7	N567 A568 C623 C629 F632	N567-C570 WeakPolarHBondContact O-CA 3Å; N567-C570 PolarHBondContact O-N 3.23Å; A568-C570 PolarHBondContact O-N 3.24Å; C570-C623 VanDerWaalsContact SG-CB 3.52Å; C570-C629 WeakPolarHBondContact CA-SG 3.45Å; C570-C629 HydrophobicContact CB-CB 3.65Å; C570-C629 WeakPolarHBondContact CB-SG 3.24Å; C570-C629 WeakPolarHBondContact SG-CA 3.41Å; C570-C629 WeakPolarHBondContact SG-CB 3.23Å; C570-C629 CovalentContact SG-SG 2.04Å; C570-C629 PolarHBondContact SG-SG 3.28Å; C570-F632 WeakPolarHBondContact O-CA 2.94Å
571	G	92.6	Very high	87.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-91.7	-141.9	173	0	0	0	0	0	112.6	N552 A568 V617	N552-G571 CarbonylContact O-C 3.55Å; N552-G571 WeakPolarHBondContact O-CA 3.31Å; A568-G571 PolarHBondContact O-N 2.93Å; G571-V617 WeakPolarHBondContact O-CB 3.17Å; G571-V617 WeakPolarHBondContact O-CG2 3.39Å; G571-V617 PolarHBondContact O-N 3.28Å
572	K	92.4	Very high	85.7	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.017	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-56.1	137.3	166	-81.4	-80.6	-169.5	159.8	0	111.7	N544 R549 F550 N552 V603 D604 D613 G615 M616	N544-K572 PolarHBondContact ND2-N 3.44Å; N544-K572 PolarHBondContact ND2-O 3.43Å; N544-K572 PolarHBondContact OD1-O 2.8Å; R549-K572 WeakPolarHBondContact O-CE 3.44Å; R549-K572 PolarHBondContact O-NZ 3.49Å; F550-K572 VanDerWaalsContact O-CB 3.27Å; F550-K572 WeakPolarHBondContact O-CB 3.25Å; F550-K572 WeakPolarHBondContact O-CG 3.49Å; N552-K572 PolarHBondContact O-N 2.04Å; K572-V603 PolarHBondContact NZ-O 2.89Å; K572-D604 IonicContact NZ-OD1 2.69Å; K572-D604 PolarHBondContact NZ-OD1 3.48Å; K572-D613 IonicContact NZ-OD2 2.64Å; K572-D613 PolarHBondContact NZ-OD2 2.88Å; K572-G615 WeakPolarHBondContact CD-O 3.44Å; K572-M616 HydrophobicContact CB-SD 4.35Å; K572-M616 HydrophobicContact CD-SD 3.58Å; K572-M616 VanDerWaalsContact CD-SD 3.58Å; K572-M616 HydrophobicContact CG-SD 3.59Å; K572-M616 VanDerWaalsContact CG-SD 3.59Å
573	L	93.6	Very high	83.3	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	26%	0.264	C	S	.	.			trans	-69.6	131	173	-174.7	72.9	0	0	0	109.7	Y520 Q523 I527 F540 G615 V617	Y520-L573 HydrophobicContact CD1-CD1 3.92Å; Q523-L573 HydrophobicContact CB-CD2 4.01Å; Q523-L573 HydrophobicContact CG-CD2 3.74Å; I527-L573 HydrophobicContact CD1-CD2 3.69Å; F540-L573 HydrophobicContact CE1-CD1 4.44Å; F540-L573 HydrophobicContact CZ-CD1 4.25Å; L573-G615 WeakPolarHBondContact CB-O 3.38Å; L573-G615 PolarHBondContact N-O 3.49Å; L573-V617 HydrophobicContact CB-CG2 4.3Å; L573-V617 HydrophobicContact CD1-CG2 4.09Å
574	Q	95	Very high	80.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	128.4	173.4	-53.2	-60.7	-35.4	0	0	108.7	A535 C539 F540 V543 N544 F550	A535-Q574 HydrophobicContact CB-CB 3.84Å; A535-Q574 WeakPolarHBondContact CB-O 3.07Å; A535-Q574 PolarHBondContact N-O 2.73Å; C539-Q574 HydrophobicContact CB-CB 4.13Å; C539-Q574 HydrophobicContact CB-CG 4.47Å; F540-Q574 HydrophobicContact CD1-CB 4.36Å; F540-Q574 HydrophobicContact CD1-CG 4.11Å; F540-Q574 HydrophobicContact CD2-CB 3.99Å; F540-Q574 HydrophobicContact CD2-CG 4.36Å; F540-Q574 HydrophobicContact CE1-CB 4.29Å; F540-Q574 HydrophobicContact CE1-CG 4.4Å; F540-Q574 HydrophobicContact CE2-CB 3.89Å; F540-Q574 WeakPolarHBondContact CE2-O 3.3Å; F540-Q574 HydrophobicContact CG-CB 4.23Å; F540-Q574 HydrophobicContact CG-CG 4.1Å; F540-Q574 HydrophobicContact CZ-CB 4.05Å; F540-Q574 VanDerWaalsContact CZ-O 3.32Å; F540-Q574 WeakPolarHBondContact CZ-O 3.2Å; V543-Q574 HydrophobicContact CB-CG 4.46Å; V543-Q574 VanDerWaalsContact CG1-NE2 3.28Å; N544-Q574 PolarHBondContact OD1-NE2 3.18Å; F550-Q574 PolarHBondContact O-NE2 3.03Å; F550-Q574 VanDerWaalsContact O-NE2 3.09Å
575	C	92.6	Very high	78.2	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.007	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	166.9	-176.8	-57	0	0	0	0	112.4	C524 F528 K533 V578 W601	C524-C575 VanDerWaalsContact CA-SG 3.58Å; C524-C575 HydrophobicContact CB-CB 3.89Å; C524-C575 WeakPolarHBondContact CB-SG 3.03Å; C524-C575 WeakPolarHBondContact SG-CB 3.04Å; C524-C575 CovalentContact SG-SG 2.04Å; C524-C575 PolarHBondContact SG-SG 3.37Å; F528-C575 HydrophobicContact CD2-CB 3.88Å; F528-C575 HydrophobicContact CE2-CB 3.83Å; K533-C575 CarbonylContact O-C 3.53Å; K533-C575 WeakPolarHBondContact O-CA 3.45Å; K533-C575 WeakPolarHBondContact O-CB 3.46Å; C575-V578 HydrophobicContact CB-CG2 4.41Å; C575-W601 PolarHBondContact N-O 2.03Å; C575-W601 WeakPolarHBondContact O-CB 3.22Å; C575-W601 PolarHBondContact O-N 2.8Å
576	E	91.4	Very high	75.9	Confident	47 Å²	47	50.6 Å²	50.6	22%	0.22	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	172.1	168.8	61.3	161.1	-125.4	0	0	111.2	A532 K533 V578	A532-E576 WeakPolarHBondContact CA-O 3.24Å; K533-E576 HydrophobicContact CB-CG 4.24Å; K533-E576 PolarHBondContact N-O 2.92Å; K533-E576 PolarHBondContact O-N 3.08Å; E576-V578 PolarHBondContact O-N 3.12Å
577	N	86.3	Confident	74.3	Confident	74 Å²	74	53.6 Å²	53.6	40%	0.396	30%	0.302	S	S	.	.			trans	58.9	25.7	-177.1	-52.7	-62.2	0	0	0	115.1	K531 Q579	K531-N577 WeakPolarHBondContact O-CB 3.27Å; N577-Q579 PolarHBondContact O-N 2.76Å
578	V	80.3	Confident	73	Confident	18 Å²	18	52.2 Å²	52.2	11%	0.109	30%	0.295	C	S	.	.			trans	-61.7	123.1	171	-179.8	0	0	0	0	109.7	F528 C575 E576 W601	F528-V578 HydrophobicContact CB-CB 4.47Å; F528-V578 HydrophobicContact CB-CG1 4.14Å; F528-V578 HydrophobicContact CB-CG2 3.97Å; F528-V578 HydrophobicContact CD1-CB 4.29Å; F528-V578 HydrophobicContact CD1-CG1 3.44Å; F528-V578 VanDerWaalsContact CD1-CG1 3.44Å; F528-V578 HydrophobicContact CD1-CG2 3.85Å; F528-V578 HydrophobicContact CD2-CG2 3.66Å; F528-V578 HydrophobicContact CE1-CG1 3.88Å; F528-V578 HydrophobicContact CE1-CG2 4.12Å; F528-V578 HydrophobicContact CE2-CG2 3.94Å; F528-V578 HydrophobicContact CG-CB 4.34Å; F528-V578 HydrophobicContact CG-CG1 3.91Å; F528-V578 HydrophobicContact CG-CG2 3.58Å; F528-V578 HydrophobicContact CZ-CG2 4.14Å; C575-V578 HydrophobicContact CB-CG2 4.41Å; E576-V578 PolarHBondContact O-N 3.12Å; V578-W601 HydrophobicContact CB-CD2 3.71Å; V578-W601 HydrophobicContact CB-CE3 3.8Å; V578-W601 HydrophobicContact CB-CG 4.08Å; V578-W601 HydrophobicContact CB-CH2 4.44Å; V578-W601 HydrophobicContact CB-CZ2 4.39Å; V578-W601 HydrophobicContact CB-CZ3 4.18Å; V578-W601 HydrophobicContact CG1-CD2 4.3Å; V578-W601 HydrophobicContact CG1-CE3 3.87Å; V578-W601 HydrophobicContact CG1-CZ3 3.99Å; V578-W601 HydrophobicContact CG2-CB 3.72Å; V578-W601 HydrophobicContact CG2-CD2 3.81Å; V578-W601 HydrophobicContact CG2-CE3 4.1Å; V578-W601 HydrophobicContact CG2-CG 3.65Å
579	Q	64.6	Low	72	Confident	131 Å²	131	53.2 Å²	53.2	61%	0.612	30%	0.304	S	S	*	.			trans	-128.4	-14.7	178.8	-68	-174.4	5.6	0	0	113.6	K531 N577	K531-Q579 HydrophobicContact CD-CB 4.47Å; K531-Q579 HydrophobicContact CD-CG 4.42Å; N577-Q579 PolarHBondContact O-N 2.76Å
580	E	56.2	Low	71.3	Confident	93 Å²	93	55 Å²	55	44%	0.435	31%	0.312	S	S	.	.	S	Bend	trans	-129.8	150	-171.5	-75.5	154.3	-141	0	0	110	K531	K531-E580 IonicContact NZ-OE1 3.72Å; K531-E580 PolarHBondContact NZ-OE1 3.28Å
581	I	54.4	Low	70.8	Confident	138 Å²	138	57.5 Å²	57.5	71%	0.708	33%	0.326	S	S	*	.			trans	-87.3	147	175.8	-63.2	173.7	0	0	0	107.6
582	P	51.3	Low	70.6	Confident	19 Å²	19	61.8 Å²	61.8	12%	0.123	35%	0.346	C	S	.	.			trans	-58.7	154.3	-160.6	-29.7	37.1	0	0	0	117.3	F584 P588 F605	P582-F584 VanDerWaalsContact C-N 3.29Å; P582-F584 PolarHBondContact O-N 2.79Å; P582-P588 HydrophobicContact CG-CG 3.76Å; P582-F605 HydrophobicContact CB-CE1 4.43Å; P582-F605 HydrophobicContact CG-CE1 4.46Å
583	V	42.7	Very low	70.3	Confident	123 Å²	123	62.3 Å²	62.3	75%	0.745	35%	0.349	S	S	*	.	S	Bend	trans	-73.5	-20.5	-179.8	-174.9	0	0	0	0	112.6
584	F	42.8	Very low	69.9	Low	115 Å²	115	67.1 Å²	67.1	50%	0.504	38%	0.38	S	S	.	.	S	Bend	trans	-87.5	138.8	175.4	-56.4	-82.3	0	0	0	110	V526 P582 I586	V526-F584 HydrophobicContact CG1-CE2 4.25Å; V526-F584 HydrophobicContact CG1-CZ 4.44Å; P582-F584 VanDerWaalsContact C-N 3.29Å; P582-F584 PolarHBondContact O-N 2.79Å; F584-I586 PolarHBondContact O-N 3.41Å
585	G	38.8	Very low	69.2	Low	93 Å²	93	67.5 Å²	67.5	96%	0.959	38%	0.383	S	S	*	.	S	Bend	trans	-70.4	30	-174.5	0	0	0	0	0	116.5
586	I	45.3	Very low	68.4	Low	83 Å²	83	77.5 Å²	77.5	43%	0.426	42%	0.42	S	S	.	.	S	Bend	trans	-117.9	130.8	176.4	-57.1	175.4	0	0	0	106.4	F584 P588 L607	F584-I586 PolarHBondContact O-N 3.41Å; I586-P588 WeakPolarHBondContact O-CD 2.99Å; I586-L607 HydrophobicContact CD1-CD2 3.93Å
587	V	56.4	Low	67.5	Low	119 Å²	119	79.3 Å²	79.3	72%	0.721	45%	0.452	S	S	*	.			trans	-89.2	103.4	176.7	-176	0	0	0	0	108.8
588	P	67.8	Low	67.3	Low	10 Å²	10	78.2 Å²	78.2	7%	0.065	45%	0.448	C	S	.	.			trans	-72.4	163.4	177.3	34.2	-39.3	0	0	0	111.1	P582 I586 I590 V603 D604 F605	P582-P588 HydrophobicContact CG-CG 3.76Å; I586-P588 WeakPolarHBondContact O-CD 2.99Å; P588-I590 HydrophobicContact CG-CD1 4.15Å; P588-I590 HydrophobicContact CG-CG1 3.91Å; P588-V603 HydrophobicContact CB-CG2 3.57Å; P588-V603 HydrophobicContact CG-CG2 3.76Å; P588-D604 WeakPolarHBondContact CA-O 3.48Å; P588-D604 WeakPolarHBondContact CB-O 3Å; P588-F605 HydrophobicContact CB-CD1 3.97Å; P588-F605 HydrophobicContact CB-CE1 4.35Å; P588-F605 HydrophobicContact CB-CG 4.19Å; P588-F605 HydrophobicContact CG-CD1 4.42Å; P588-F605 HydrophobicContact CG-CE1 4.35Å
589	A	76.1	Confident	67.6	Low	23 Å²	23	82.6 Å²	82.6	19%	0.19	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	132.5	157.6	0	0	0	0	0	109	F550 D604	F550-A589 HydrophobicContact CE1-CB 3.78Å; F550-A589 HydrophobicContact CZ-CB 3.75Å; A589-D604 HydrophobicContact CB-CB 4.37Å; A589-D604 PolarHBondContact N-O 2.77Å; A589-D604 PolarHBondContact O-N 3.27Å
590	I	81.3	Confident	68.8	Low	61 Å²	61	76.4 Å²	76.4	31%	0.313	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.2	179.1	-58.8	170.7	0	0	0	107.7	F528 P588 W601 G602 V603	F528-I590 HydrophobicContact CE1-CD1 4.08Å; F528-I590 HydrophobicContact CE1-CG1 4.28Å; F528-I590 HydrophobicContact CE1-CG2 4.27Å; F528-I590 HydrophobicContact CZ-CG2 4.48Å; P588-I590 HydrophobicContact CG-CD1 4.15Å; P588-I590 HydrophobicContact CG-CG1 3.91Å; I590-W601 HydrophobicContact CG2-CE3 3.63Å; I590-W601 HydrophobicContact CG2-CZ3 4.02Å; I590-G602 WeakPolarHBondContact CA-O 3.46Å; I590-V603 HydrophobicContact CG1-CG2 4.42Å
591	I	84.7	Confident	70.4	Confident	55 Å²	55	74.3 Å²	74.3	28%	0.282	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	142.5	178.3	-163.2	167.6	0	0	0	111.2	F550 W601 G602	F550-I591 HydrophobicContact CB-CD1 4.5Å; F550-I591 HydrophobicContact CB-CG2 3.63Å; F550-I591 HydrophobicContact CD1-CB 3.94Å; F550-I591 HydrophobicContact CD1-CG2 3.59Å; F550-I591 HydrophobicContact CD2-CB 4.41Å; F550-I591 HydrophobicContact CD2-CD1 3.88Å; F550-I591 HydrophobicContact CD2-CG2 4.36Å; F550-I591 HydrophobicContact CE1-CB 4.2Å; F550-I591 HydrophobicContact CE1-CG2 4.33Å; F550-I591 HydrophobicContact CE2-CD1 4.32Å; F550-I591 HydrophobicContact CG-CB 4.05Å; F550-I591 HydrophobicContact CG-CD1 4.18Å; F550-I591 HydrophobicContact CG-CG2 3.6Å; I591-W601 WeakPolarHBondContact O-CA 3.38Å; I591-G602 PolarHBondContact N-O 3.41Å; I591-G602 PolarHBondContact O-N 2.68Å
592	Q	88.4	Confident	72	Confident	90 Å²	90	67.8 Å²	67.8	42%	0.421	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	105.7	169.9	-69.6	172.9	48.6	0	0	109.1	C600 W601	Q592-C600 CarbonylContact C-O 3.48Å; Q592-C600 WeakPolarHBondContact CA-O 3.15Å; Q592-W601 VanDerWaalsContact CD-CH2 3.49Å; Q592-W601 HydrophobicContact CG-CD2 3.82Å; Q592-W601 HydrophobicContact CG-CE3 3.74Å; Q592-W601 HydrophobicContact CG-CH2 3.85Å; Q592-W601 HydrophobicContact CG-CZ2 3.89Å; Q592-W601 HydrophobicContact CG-CZ3 3.76Å
593	T	85.7	Confident	73.4	Confident	14 Å²	14	67 Å²	67	9%	0.086	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	120.6	171	-62.4	0	0	0	0	109.6	V543 S595 C600	V543-T593 HydrophobicContact CG2-CG2 4.03Å; T593-S595 PolarHBondContact O-N 3.34Å; T593-C600 PolarHBondContact N-O 3.25Å; T593-C600 WeakPolarHBondContact O-CB 3.49Å; T593-C600 PolarHBondContact O-N 3.45Å
594	P	85.6	Confident	75	Confident	103 Å²	103	61.1 Å²	61.1	67%	0.669	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	125.1	169.8	-13	28.7	0	0	0	110.2
595	S	81.4	Confident	75.9	Confident	7 Å²	7	56.1 Å²	56.1	5%	0.049	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	126.1	172.9	-176.3	0	0	0	0	110.9	E542 T593 G597 T598 C600	E542-S595 VanDerWaalsContact OE2-CB 3.27Å; E542-S595 WeakPolarHBondContact OE2-CB 3.07Å; E542-S595 PolarHBondContact OE2-OG 3.3Å; T593-S595 PolarHBondContact O-N 3.34Å; S595-G597 PolarHBondContact O-N 2.88Å; S595-T598 PolarHBondContact N-O 2.98Å; S595-T598 PolarHBondContact O-N 3.07Å; S595-C600 VanDerWaalsContact CB-SG 3.53Å
596	R	74.3	Confident	76.7	Confident	211 Å²	211	55.8 Å²	55.8	80%	0.796	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	29.3	170.4	-66.8	179.7	167.9	-168.4	-4.1	116.7	D538	D538-R596 IonicContact OD1-NH1 2.73Å; D538-R596 WeakPolarHBondContact OD2-CD 3.32Å; D538-R596 IonicContact OD2-CZ 3.46Å; D538-R596 IonicContact OD2-NE 2.76Å; D538-R596 IonicContact OD2-NH1 3.52Å; D538-R596 PolarHBondContact OD2-NH1 3.28Å
597	G	72.9	Confident	76.7	Confident	85 Å²	85	53.6 Å²	53.6	88%	0.876	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.3	-10	178.9	0	0	0	0	0	115.3	S595	S595-G597 PolarHBondContact O-N 2.88Å
598	T	81.4	Confident	76	Confident	51 Å²	51	48.3 Å²	48.3	31%	0.313	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	158.3	173.7	-77	0	0	0	0	110.7	P536 S595	P536-T598 HydrophobicContact CG-CG2 4.34Å; S595-T598 PolarHBondContact N-O 2.98Å; S595-T598 PolarHBondContact O-N 3.07Å
599	K	87.1	Confident	74.5	Confident	111 Å²	111	50.2 Å²	50.2	48%	0.483	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	116.3	165.6	-72.7	-174.9	168.8	-167.5	0	109.6	W601	K599-W601 VanDerWaalsContact O-CD1 3.25Å
600	C	90.3	Very high	72.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	126.8	168.7	-41.6	0	0	0	0	109	C539 V543 Q592 T593 S595	C539-C600 VanDerWaalsContact CA-SG 3.53Å; C539-C600 HydrophobicContact CB-CB 3.6Å; C539-C600 WeakPolarHBondContact CB-SG 3.36Å; C539-C600 WeakPolarHBondContact SG-CB 3.49Å; C539-C600 CovalentContact SG-SG 2.03Å; C539-C600 PolarHBondContact SG-SG 2.94Å; V543-C600 HydrophobicContact CG2-CB 4.39Å; Q592-C600 CarbonylContact C-O 3.48Å; Q592-C600 WeakPolarHBondContact CA-O 3.15Å; T593-C600 PolarHBondContact N-O 3.25Å; T593-C600 WeakPolarHBondContact O-CB 3.49Å; T593-C600 PolarHBondContact O-N 3.45Å; S595-C600 VanDerWaalsContact CB-SG 3.53Å
601	W	90.6	Very high	70.5	Confident	50 Å²	50	48.4 Å²	48.4	19%	0.189	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	113.8	175.9	-64.6	73.6	0	0	0	110.2	C575 V578 I590 I591 Q592 K599	C575-W601 PolarHBondContact N-O 2.03Å; C575-W601 WeakPolarHBondContact O-CB 3.22Å; C575-W601 PolarHBondContact O-N 2.8Å; V578-W601 HydrophobicContact CB-CD2 3.71Å; V578-W601 HydrophobicContact CB-CE3 3.8Å; V578-W601 HydrophobicContact CB-CG 4.08Å; V578-W601 HydrophobicContact CB-CH2 4.44Å; V578-W601 HydrophobicContact CB-CZ2 4.39Å; V578-W601 HydrophobicContact CB-CZ3 4.18Å; V578-W601 HydrophobicContact CG1-CD2 4.3Å; V578-W601 HydrophobicContact CG1-CE3 3.87Å; V578-W601 HydrophobicContact CG1-CZ3 3.99Å; V578-W601 HydrophobicContact CG2-CB 3.72Å; V578-W601 HydrophobicContact CG2-CD2 3.81Å; V578-W601 HydrophobicContact CG2-CE3 4.1Å; V578-W601 HydrophobicContact CG2-CG 3.65Å; I590-W601 HydrophobicContact CG2-CE3 3.63Å; I590-W601 HydrophobicContact CG2-CZ3 4.02Å; I591-W601 WeakPolarHBondContact O-CA 3.38Å; Q592-W601 VanDerWaalsContact CD-CH2 3.49Å; Q592-W601 HydrophobicContact CG-CD2 3.82Å; Q592-W601 HydrophobicContact CG-CE3 3.74Å; Q592-W601 HydrophobicContact CG-CH2 3.85Å; Q592-W601 HydrophobicContact CG-CZ2 3.89Å; Q592-W601 HydrophobicContact CG-CZ3 3.76Å; K599-W601 VanDerWaalsContact O-CD1 3.25Å
602	G	87.6	Confident	68.7	Low	1 Å²	1	50.3 Å²	50.3	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	146.9	172.4	0	0	0	0	0	110.9	I590 I591	I590-G602 WeakPolarHBondContact CA-O 3.46Å; I591-G602 PolarHBondContact N-O 3.41Å; I591-G602 PolarHBondContact O-N 2.68Å
603	V	79.4	Confident	67.4	Low	1 Å²	1	46.8 Å²	46.8	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	150.4	173.7	75.7	0	0	0	0	111	I527 F528 K572 P588 I590 F605	I527-V603 HydrophobicContact CD1-CG1 4.37Å; I527-V603 HydrophobicContact CG2-CB 4.42Å; I527-V603 HydrophobicContact CG2-CG1 4.1Å; I527-V603 HydrophobicContact CG2-CG2 4.34Å; F528-V603 HydrophobicContact CE2-CB 4.36Å; F528-V603 HydrophobicContact CZ-CB 3.79Å; F528-V603 HydrophobicContact CZ-CG2 4.26Å; K572-V603 PolarHBondContact NZ-O 2.89Å; P588-V603 HydrophobicContact CB-CG2 3.57Å; P588-V603 HydrophobicContact CG-CG2 3.76Å; I590-V603 HydrophobicContact CG1-CG2 4.42Å; V603-F605 HydrophobicContact CB-CE2 4.48Å; V603-F605 HydrophobicContact CG1-CD2 4.11Å; V603-F605 HydrophobicContact CG1-CE2 3.81Å; V603-F605 HydrophobicContact CG2-CD2 4.01Å; V603-F605 HydrophobicContact CG2-CE2 3.79Å; V603-F605 HydrophobicContact CG2-CZ 4.22Å
604	D	77	Confident	66.5	Low	1 Å²	1	48.6 Å²	48.6	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	103.7	171.3	-175.2	81	0	0	0	107.8	K180 R549 F550 K572 P588 A589 Q606	K180-D604 IonicContact NZ-OD1 3.96Å; K180-D604 PolarHBondContact NZ-OD1 3.42Å; K180-D604 IonicContact NZ-OD2 3.2Å; K180-D604 PolarHBondContact NZ-OD2 3.48Å; R549-D604 IonicContact CZ-OD2 3.7Å; R549-D604 VanDerWaalsContact CZ-OD2 3.28Å; R549-D604 IonicContact NE-OD2 3.36Å; R549-D604 PolarHBondContact NE-OD2 3.1Å; R549-D604 IonicContact NH2-OD2 3.81Å; R549-D604 PolarHBondContact NH2-OD2 3.19Å; F550-D604 HydrophobicContact CD1-CB 3.88Å; F550-D604 HydrophobicContact CE1-CB 3.55Å; F550-D604 HydrophobicContact CZ-CB 4.36Å; K572-D604 IonicContact NZ-OD1 2.69Å; K572-D604 PolarHBondContact NZ-OD1 3.48Å; P588-D604 WeakPolarHBondContact CA-O 3.48Å; P588-D604 WeakPolarHBondContact CB-O 3Å; A589-D604 HydrophobicContact CB-CB 4.37Å; A589-D604 PolarHBondContact N-O 2.77Å; A589-D604 PolarHBondContact O-N 3.27Å; D604-Q606 WeakPolarHBondContact O-CG 3.29Å; D604-Q606 PolarHBondContact O-N 2.74Å
605	F	62	Low	66.1	Low	10 Å²	10	43.7 Å²	43.7	4%	0.044	24%	0.243	C	C	.	.			trans	-71.8	1.4	-176.3	-78.1	-88	0	0	0	114.2	I527 P582 P588 V603 L607 D613 P614	I527-F605 HydrophobicContact CB-CZ 4.5Å; I527-F605 HydrophobicContact CD1-CE2 4.31Å; I527-F605 HydrophobicContact CG1-CE2 4.1Å; I527-F605 HydrophobicContact CG1-CZ 4.2Å; I527-F605 HydrophobicContact CG2-CE2 4.02Å; I527-F605 HydrophobicContact CG2-CZ 3.9Å; P582-F605 HydrophobicContact CB-CE1 4.43Å; P582-F605 HydrophobicContact CG-CE1 4.46Å; P588-F605 HydrophobicContact CB-CD1 3.97Å; P588-F605 HydrophobicContact CB-CE1 4.35Å; P588-F605 HydrophobicContact CB-CG 4.19Å; P588-F605 HydrophobicContact CG-CD1 4.42Å; P588-F605 HydrophobicContact CG-CE1 4.35Å; V603-F605 HydrophobicContact CB-CE2 4.48Å; V603-F605 HydrophobicContact CG1-CD2 4.11Å; V603-F605 HydrophobicContact CG1-CE2 3.81Å; V603-F605 HydrophobicContact CG2-CD2 4.01Å; V603-F605 HydrophobicContact CG2-CE2 3.79Å; V603-F605 HydrophobicContact CG2-CZ 4.22Å; F605-L607 HydrophobicContact CB-CD1 3.93Å; F605-L607 HydrophobicContact CB-CD2 4.21Å; F605-L607 HydrophobicContact CB-CG 3.7Å; F605-L607 VanDerWaalsContact O-CD2 3.25Å; F605-L607 WeakPolarHBondContact O-CD2 3.4Å; F605-L607 PolarHBondContact O-N 2.73Å; F605-D613 PolarHBondContact N-OD1 2.88Å; F605-P614 HydrophobicContact CD2-CB 3.87Å; F605-P614 HydrophobicContact CD2-CG 4.2Å; F605-P614 HydrophobicContact CE2-CB 3.89Å
606	Q	55.5	Low	66.2	Low	86 Å²	86	44.3 Å²	44.3	40%	0.402	25%	0.245	S	C	.	.			trans	65.3	9.5	176.6	-39.9	-152.4	52.6	0	0	115.9	K180 D604 G608	K180-Q606 HydrophobicContact CD-CB 3.99Å; K180-Q606 WeakPolarHBondContact CD-O 3.47Å; D604-Q606 WeakPolarHBondContact O-CG 3.29Å; D604-Q606 PolarHBondContact O-N 2.74Å; Q606-G608 PolarHBondContact O-N 3.45Å
607	L	45	Very low	66.9	Low	37 Å²	37	34.7 Å²	34.7	19%	0.194	21%	0.21	C	C	.	.			trans	-73.9	26.4	-172.2	-44	178.2	0	0	0	115.9	I586 F605 V611 P614	I586-L607 HydrophobicContact CD1-CD2 3.93Å; F605-L607 HydrophobicContact CB-CD1 3.93Å; F605-L607 HydrophobicContact CB-CD2 4.21Å; F605-L607 HydrophobicContact CB-CG 3.7Å; F605-L607 VanDerWaalsContact O-CD2 3.25Å; F605-L607 WeakPolarHBondContact O-CD2 3.4Å; F605-L607 PolarHBondContact O-N 2.73Å; L607-V611 HydrophobicContact CB-CB 3.92Å; L607-V611 HydrophobicContact CB-CG1 4.14Å; L607-V611 HydrophobicContact CB-CG2 4.43Å; L607-V611 HydrophobicContact CD1-CG1 3.86Å; L607-V611 WeakPolarHBondContact O-CB 3.49Å; L607-P614 HydrophobicContact CD1-CG 4.21Å
608	G	41.4	Very low	67.4	Low	8 Å²	8	33.5 Å²	33.5	8%	0.082	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	-142.7	-170.3	0	0	0	0	0	113.9	K180 Q606 D610	K180-G608 WeakPolarHBondContact CE-O 3.48Å; Q606-G608 PolarHBondContact O-N 3.45Å; G608-D610 WeakPolarHBondContact CA-OD2 3.35Å
609	S	36.6	Very low	67.5	Low	49 Å²	49	34.2 Å²	34.2	34%	0.343	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.6	18.4	176.3	60.3	0	0	0	0	113.6	S178	S178-S609 VanDerWaalsContact CB-N 3.33Å; S178-S609 WeakPolarHBondContact CB-OG 3.4Å; S178-S609 PolarHBondContact OG-OG 2.72Å
610	D	34.4	Very low	67.3	Low	17 Å²	17	29 Å²	29	9%	0.091	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-150.9	-32.9	-147.8	-4.8	-86.6	0	0	0	111.2	G176 V177 S178 M315 G608 P612	G176-D610 WeakPolarHBondContact O-CB 3.01Å; G176-D610 VanDerWaalsContact O-CG 3.26Å; V177-D610 WeakPolarHBondContact CA-OD2 2.98Å; V177-D610 WeakPolarHBondContact CG1-OD2 3.25Å; S178-D610 WeakPolarHBondContact CB-OD1 3.28Å; S178-D610 WeakPolarHBondContact CB-OD2 3.17Å; S178-D610 PolarHBondContact N-OD1 3.02Å; S178-D610 PolarHBondContact N-OD2 3.02Å; M315-D610 HydrophobicContact CE-CB 4.17Å; M315-D610 HydrophobicContact CG-CB 4.44Å; M315-D610 HydrophobicContact SD-CB 4.43Å; G608-D610 WeakPolarHBondContact CA-OD2 3.35Å; D610-P612 WeakPolarHBondContact O-CD 3.22Å
611	V	38.7	Very low	67.3	Low	29 Å²	29	29 Å²	29	18%	0.176	16%	0.161	C	C	.	.	S	Bend	trans	-69.1	119.9	130.7	-176.1	0	0	0	0	106.7	V318 L607 D613	V318-V611 HydrophobicContact CB-CG2 3.84Å; V318-V611 HydrophobicContact CG2-CG2 3.68Å; L607-V611 HydrophobicContact CB-CB 3.92Å; L607-V611 HydrophobicContact CB-CG1 4.14Å; L607-V611 HydrophobicContact CB-CG2 4.43Å; L607-V611 HydrophobicContact CD1-CG1 3.86Å; L607-V611 WeakPolarHBondContact O-CB 3.49Å; V611-D613 PolarHBondContact O-N 3.31Å
612	P	46.9	Very low	67.5	Low	96 Å²	96	28.8 Å²	28.8	62%	0.623	16%	0.162	S	C	*	.			trans	-59.1	110.7	171.9	-22.5	34.3	0	0	0	109.1	D610 P614	D610-P612 WeakPolarHBondContact O-CD 3.22Å; P612-P614 WeakPolarHBondContact O-CD 3.35Å
613	D	60.9	Low	67.8	Low	16 Å²	16	29.2 Å²	29.2	9%	0.086	16%	0.164	C	C	.	.			trans	-56.2	122.6	-175.9	175	11	0	0	0	109.9	K572 F605 V611 G615 M616	K572-D613 IonicContact NZ-OD2 2.64Å; K572-D613 PolarHBondContact NZ-OD2 2.88Å; F605-D613 PolarHBondContact N-OD1 2.88Å; V611-D613 PolarHBondContact O-N 3.31Å; D613-G615 PolarHBondContact O-N 2.76Å; D613-G615 PolarHBondContact OD1-N 3.3Å; D613-M616 HydrophobicContact CB-CG 4.23Å; D613-M616 WeakPolarHBondContact O-CB 3.3Å; D613-M616 PolarHBondContact O-N 2.77Å
614	P	67.9	Low	68.5	Low	52 Å²	52	30.6 Å²	30.6	34%	0.338	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-14.4	176.7	-25.8	34.5	0	0	0	114.1	Q523 I527 F605 L607 P612 M616	Q523-P614 PolarHBondContact NE2-O 3.1Å; I527-P614 VanDerWaalsContact CD1-O 3.31Å; I527-P614 WeakPolarHBondContact CD1-O 2.91Å; F605-P614 HydrophobicContact CD2-CB 3.87Å; F605-P614 HydrophobicContact CD2-CG 4.2Å; F605-P614 HydrophobicContact CE2-CB 3.89Å; L607-P614 HydrophobicContact CD1-CG 4.21Å; P612-P614 WeakPolarHBondContact O-CD 3.35Å; P614-M616 VanDerWaalsContact C-N 3.29Å
615	G	76.3	Confident	69.2	Low	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-2.1	167.2	0	0	0	0	0	116.1	K572 L573 D613	K572-G615 WeakPolarHBondContact CD-O 3.44Å; L573-G615 WeakPolarHBondContact CB-O 3.38Å; L573-G615 PolarHBondContact N-O 3.49Å; D613-G615 PolarHBondContact O-N 2.76Å; D613-G615 PolarHBondContact OD1-N 3.3Å
616	M	84.4	Confident	70.6	Confident	19 Å²	19	39.3 Å²	39.3	9%	0.094	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-91.2	143.3	170.2	-63	-60.5	-67.5	0	0	110.4	Q523 K572 D613 P614 N618 F632	Q523-M616 PolarHBondContact NE2-O 3.06Å; K572-M616 HydrophobicContact CB-SD 4.35Å; K572-M616 HydrophobicContact CD-SD 3.58Å; K572-M616 VanDerWaalsContact CD-SD 3.58Å; K572-M616 HydrophobicContact CG-SD 3.59Å; K572-M616 VanDerWaalsContact CG-SD 3.59Å; D613-M616 HydrophobicContact CB-CG 4.23Å; D613-M616 WeakPolarHBondContact O-CB 3.3Å; D613-M616 PolarHBondContact O-N 2.77Å; P614-M616 VanDerWaalsContact C-N 3.29Å; M616-N618 PolarHBondContact O-N 3.4Å; M616-F632 HydrophobicContact CB-CE1 4.4Å; M616-F632 HydrophobicContact CE-CD1 3.47Å; M616-F632 VanDerWaalsContact CE-CD1 3.47Å; M616-F632 HydrophobicContact CE-CE1 3.54Å; M616-F632 HydrophobicContact CE-CG 4.42Å; M616-F632 HydrophobicContact CG-CE1 4.38Å
617	V	89.1	Confident	72.4	Confident	10 Å²	10	39.5 Å²	39.5	6%	0.061	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-59.1	125.3	176.8	172.4	0	0	0	0	110.7	Y520 F540 G571 L573 T621 C629	Y520-V617 HydrophobicContact CD1-CG1 4.21Å; Y520-V617 HydrophobicContact CD1-CG2 4.07Å; Y520-V617 HydrophobicContact CE1-CB 4.33Å; Y520-V617 HydrophobicContact CE1-CG1 3.57Å; Y520-V617 HydrophobicContact CE1-CG2 3.71Å; F540-V617 HydrophobicContact CE1-CG2 3.97Å; G571-V617 WeakPolarHBondContact O-CB 3.17Å; G571-V617 WeakPolarHBondContact O-CG2 3.39Å; G571-V617 PolarHBondContact O-N 3.28Å; L573-V617 HydrophobicContact CB-CG2 4.3Å; L573-V617 HydrophobicContact CD1-CG2 4.09Å; V617-T621 HydrophobicContact CG1-CG2 3.81Å; V617-C629 HydrophobicContact CG1-CB 4.3Å
618	N	82.8	Confident	74.8	Confident	59 Å²	59	37.7 Å²	37.7	32%	0.316	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-57.6	144.5	-179.6	-74.5	-11.1	0	0	0	112.7	Q518 Q523 M616 T621	Q518-N618 PolarHBondContact OE1-ND2 3.38Å; Q523-N618 PolarHBondContact NE2-OD1 2.86Å; Q523-N618 VanDerWaalsContact OE1-N 3.08Å; M616-N618 PolarHBondContact O-N 3.4Å; N618-T621 WeakPolarHBondContact O-CB 3.05Å; N618-T621 PolarHBondContact O-N 2.67Å; N618-T621 PolarHBondContact O-OG1 2.04Å
619	E	82.8	Confident	77.2	Confident	67 Å²	67	37.4 Å²	37.4	31%	0.313	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	150	168.5	-69.5	-135.8	133.4	0	0	112.1	Y513 Q518 T621 C629 R630 N631	Y513-E619 HydrophobicContact CD1-CB 4.19Å; Y513-E619 WeakPolarHBondContact CD1-O 3.48Å; Y513-E619 HydrophobicContact CE1-CB 3.51Å; Y513-E619 PolarHBondContact OH-OE2 3.45Å; Q518-E619 WeakPolarHBondContact CG-O 3.34Å; E619-T621 PolarHBondContact O-N 2.97Å; E619-C629 WeakPolarHBondContact CA-O 3.46Å; E619-R630 WeakPolarHBondContact OE1-CA 3.43Å; E619-R630 VanDerWaalsContact OE1-CG 3.28Å; E619-R630 WeakPolarHBondContact OE1-CG 3.48Å; E619-N631 PolarHBondContact OE1-N 2.87Å
620	G	83.1	Confident	79.5	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.01	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	-15.5	-175	0	0	0	0	0	114.5	K622 I628 C629	G620-K622 PolarHBondContact O-N 3.24Å; G620-I628 WeakPolarHBondContact O-CG2 3.06Å; G620-C629 PolarHBondContact N-O 3.07Å
621	T	91.1	Very high	81.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.249	C	C	.	.			trans	-57.4	131.1	178.5	-60.1	0	0	0	0	112	Q518 Y520 V617 N618 E619 C623 I628 C629	Q518-T621 WeakPolarHBondContact O-CA 3.43Å; Y520-T621 HydrophobicContact CD1-CG2 3.97Å; Y520-T621 HydrophobicContact CD2-CG2 4.03Å; Y520-T621 HydrophobicContact CE1-CG2 3.62Å; Y520-T621 HydrophobicContact CE2-CG2 3.67Å; Y520-T621 HydrophobicContact CG-CG2 4.16Å; Y520-T621 VanDerWaalsContact CZ-CG2 3.43Å; V617-T621 HydrophobicContact CG1-CG2 3.81Å; N618-T621 WeakPolarHBondContact O-CB 3.05Å; N618-T621 PolarHBondContact O-N 2.67Å; N618-T621 PolarHBondContact O-OG1 2.04Å; E619-T621 PolarHBondContact O-N 2.97Å; T621-C623 PolarHBondContact O-N 2.82Å; T621-I628 CarbonylContact O-C 3.45Å; T621-I628 VanDerWaalsContact O-CA 3.28Å; T621-I628 WeakPolarHBondContact O-CA 3.01Å; T621-C629 PolarHBondContact O-N 2.98Å
622	K	94.6	Very high	84.1	Confident	46 Å²	46	46.8 Å²	46.8	20%	0.2	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	107.5	-178.5	-173.9	171.9	-163.8	158.6	0	112.3	N508 K509 Y511 Y520 G620 G624 K627	N508-K622 PolarHBondContact O-NZ 2.92Å; N508-K622 VanDerWaalsContact O-NZ 3.07Å; K509-K622 WeakPolarHBondContact O-CD 3.39Å; Y511-K622 HydrophobicContact CD2-CB 4.06Å; Y511-K622 HydrophobicContact CD2-CD 4.11Å; Y511-K622 HydrophobicContact CD2-CG 4.19Å; Y511-K622 HydrophobicContact CE2-CB 4.1Å; Y511-K622 HydrophobicContact CE2-CD 3.51Å; Y511-K622 HydrophobicContact CE2-CG 3.7Å; Y511-K622 VanDerWaalsContact OH-CE 3.31Å; Y511-K622 WeakPolarHBondContact OH-CE 3.49Å; Y511-K622 PolarHBondContact OH-NZ 3.31Å; Y520-K622 WeakPolarHBondContact CE2-O 3.4Å; G620-K622 PolarHBondContact O-N 3.24Å; K622-G624 VanDerWaalsContact CE-O 3.25Å; K622-G624 WeakPolarHBondContact CE-O 3.48Å; K622-G624 VanDerWaalsContact CG-O 3.29Å; K622-G624 WeakPolarHBondContact CG-O 3.41Å; K622-K627 WeakPolarHBondContact CA-O 3.43Å
623	C	94.9	Very high	86.3	Confident	10 Å²	10	46.1 Å²	46.1	7%	0.068	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-6.2	-177.8	60.9	0	0	0	0	114.6	Y520 L569 C570 T621 K627 I628 C634	Y520-C623 WeakPolarHBondContact OH-CA 3.44Å; L569-C623 HydrophobicContact CB-CB 4.06Å; L569-C623 WeakPolarHBondContact CD1-O 3.44Å; C570-C623 VanDerWaalsContact SG-CB 3.52Å; T621-C623 PolarHBondContact O-N 2.82Å; C623-K627 PolarHBondContact N-O 2.89Å; C623-I628 VanDerWaalsContact SG-C 3.53Å; C623-C634 HydrophobicContact CB-CB 3.89Å; C623-C634 WeakPolarHBondContact CB-SG 3.21Å; C623-C634 WeakPolarHBondContact SG-CA 3.1Å; C623-C634 WeakPolarHBondContact SG-CB 3.49Å; C623-C634 CovalentContact SG-SG 2.04Å; C623-C634 PolarHBondContact SG-SG 3Å
624	G	92.6	Very high	88	Confident	30 Å²	30	46.3 Å²	46.3	31%	0.309	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	-174.4	177.8	0	0	0	0	0	113.2	K622 D626	K622-G624 VanDerWaalsContact CE-O 3.25Å; K622-G624 WeakPolarHBondContact CE-O 3.48Å; K622-G624 VanDerWaalsContact CG-O 3.29Å; K622-G624 WeakPolarHBondContact CG-O 3.41Å; G624-D626 PolarHBondContact O-N 2.04Å
625	A	92.1	Very high	89.3	Confident	89 Å²	89	45.8 Å²	45.8	74%	0.736	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	120.9	164.5	0	0	0	0	0	108.2	K627	A625-K627 WeakPolarHBondContact O-CG 3.41Å; A625-K627 PolarHBondContact O-N 2.95Å; A625-K627 VanDerWaalsContact O-N 3.12Å
626	D	91.4	Very high	90.3	Very high	104 Å²	104	49.6 Å²	49.6	56%	0.556	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	37.4	-180	-50.8	-46.9	0	0	0	115	Y511 G624 A637	Y511-D626 PolarHBondContact OH-OD1 3.41Å; G624-D626 PolarHBondContact O-N 2.04Å; D626-A637 WeakPolarHBondContact O-CB 3.32Å; D626-A637 PolarHBondContact O-N 2.87Å
627	K	94.8	Very high	90.7	Very high	90 Å²	90	49.6 Å²	49.6	39%	0.391	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.3	178.6	-69.2	-172.2	177.7	-163.5	0	113.5	K622 C623 A625 V635	K622-K627 WeakPolarHBondContact CA-O 3.43Å; C623-K627 PolarHBondContact N-O 2.89Å; A625-K627 WeakPolarHBondContact O-CG 3.41Å; A625-K627 PolarHBondContact O-N 2.95Å; A625-K627 VanDerWaalsContact O-N 3.12Å; K627-V635 CarbonylContact C-O 3.57Å; K627-V635 WeakPolarHBondContact CA-O 2.99Å; K627-V635 VanDerWaalsContact CB-O 3.23Å; K627-V635 WeakPolarHBondContact CB-O 3Å; K627-V635 WeakPolarHBondContact CG-O 3.34Å
628	I	94.6	Very high	90.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	156.8	-179.3	61.2	87.4	0	0	0	112	Y511 G620 T621 C623 R630 V635 A637 V639 L640	Y511-I628 HydrophobicContact CD2-CG2 3.42Å; Y511-I628 VanDerWaalsContact CD2-CG2 3.42Å; Y511-I628 HydrophobicContact CE2-CG2 3.8Å; Y511-I628 HydrophobicContact CG-CG2 4.34Å; G620-I628 WeakPolarHBondContact O-CG2 3.06Å; T621-I628 CarbonylContact O-C 3.45Å; T621-I628 VanDerWaalsContact O-CA 3.28Å; T621-I628 WeakPolarHBondContact O-CA 3.01Å; C623-I628 VanDerWaalsContact SG-C 3.53Å; I628-R630 HydrophobicContact CD1-CB 3.97Å; I628-V635 HydrophobicContact CD1-CG2 3.9Å; I628-V635 HydrophobicContact CG1-CG2 4.49Å; I628-V635 PolarHBondContact N-O 3.15Å; I628-V635 WeakPolarHBondContact O-CG2 3.39Å; I628-V635 PolarHBondContact O-N 2.91Å; I628-A637 HydrophobicContact CG2-CB 4.28Å; I628-V639 HydrophobicContact CD1-CG2 3.92Å; I628-V639 HydrophobicContact CG1-CG2 4.42Å; I628-L640 HydrophobicContact CD1-CD2 4.15Å; I628-L640 HydrophobicContact CD1-CG 4.46Å; I628-L640 HydrophobicContact CG1-CD1 4.19Å; I628-L640 HydrophobicContact CG1-CD2 4.43Å; I628-L640 HydrophobicContact CG1-CG 4.23Å; I628-L640 HydrophobicContact CG2-CD1 4.33Å
629	C	91.6	Very high	91.1	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.014	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	126.6	173.4	-65	0	0	0	0	111.5	L569 C570 V617 E619 G620 T621 Q633	L569-C629 PolarHBondContact O-SG 3.49Å; L569-C629 VanDerWaalsContact O-SG 3.39Å; C570-C629 WeakPolarHBondContact CA-SG 3.45Å; C570-C629 HydrophobicContact CB-CB 3.65Å; C570-C629 WeakPolarHBondContact CB-SG 3.24Å; C570-C629 WeakPolarHBondContact SG-CA 3.41Å; C570-C629 WeakPolarHBondContact SG-CB 3.23Å; C570-C629 CovalentContact SG-SG 2.04Å; C570-C629 PolarHBondContact SG-SG 3.28Å; V617-C629 HydrophobicContact CG1-CB 4.3Å; E619-C629 WeakPolarHBondContact CA-O 3.46Å; G620-C629 PolarHBondContact N-O 3.07Å; T621-C629 PolarHBondContact O-N 2.98Å; C629-Q633 WeakPolarHBondContact CA-O 3.43Å
630	R	85.6	Confident	91.2	Very high	97 Å²	97	50 Å²	50	37%	0.366	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	135.2	171	-162.7	177.5	-173.3	167.6	2.8	110.2	E619 I628 F632 Q633 V635 V639	E619-R630 WeakPolarHBondContact OE1-CA 3.43Å; E619-R630 VanDerWaalsContact OE1-CG 3.28Å; E619-R630 WeakPolarHBondContact OE1-CG 3.48Å; I628-R630 HydrophobicContact CD1-CB 3.97Å; R630-F632 PolarHBondContact O-N 2.03Å; R630-Q633 PolarHBondContact N-O 3.05Å; R630-Q633 PolarHBondContact O-N 2.96Å; R630-V635 HydrophobicContact CB-CG2 3.79Å; R630-V639 PolarHBondContact NH1-O 2.78Å
631	N	82.9	Confident	91.5	Very high	109 Å²	109	55.7 Å²	55.7	58%	0.583	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.5	45	-177.1	-65.2	-26.3	0	0	0	113.2	E619 Q633	E619-N631 PolarHBondContact OE1-N 2.87Å; N631-Q633 VanDerWaalsContact C-N 3.26Å; N631-Q633 PolarHBondContact O-N 3.34Å
632	F	87.2	Confident	91.5	Very high	85 Å²	85	59.1 Å²	59.1	37%	0.373	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	25.2	-176.1	-42	-70.1	0	0	0	115.7	C553 C570 M616 R630	C553-F632 HydrophobicContact CB-CB 4.06Å; C553-F632 WeakPolarHBondContact O-CB 3.5Å; C553-F632 PolarHBondContact SG-O 2.03Å; C570-F632 WeakPolarHBondContact O-CA 2.94Å; M616-F632 HydrophobicContact CB-CE1 4.4Å; M616-F632 HydrophobicContact CE-CD1 3.47Å; M616-F632 VanDerWaalsContact CE-CD1 3.47Å; M616-F632 HydrophobicContact CE-CE1 3.54Å; M616-F632 HydrophobicContact CE-CG 4.42Å; M616-F632 HydrophobicContact CG-CE1 4.38Å; R630-F632 PolarHBondContact O-N 2.03Å
633	Q	92.6	Very high	91.3	Very high	83 Å²	83	61.2 Å²	61.2	39%	0.388	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	146.7	-178.9	-62.3	178.3	56.4	0	0	111.6	C629 R630 N631 V635	C629-Q633 WeakPolarHBondContact CA-O 3.43Å; R630-Q633 PolarHBondContact N-O 3.05Å; R630-Q633 PolarHBondContact O-N 2.96Å; N631-Q633 VanDerWaalsContact C-N 3.26Å; N631-Q633 PolarHBondContact O-N 3.34Å; Q633-V635 HydrophobicContact CB-CG1 4.02Å; Q633-V635 PolarHBondContact O-N 3.05Å
634	C	95.9	Very high	91.1	Very high	19 Å²	19	61.1 Å²	61.1	13%	0.128	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	85.5	177.5	-174.5	0	0	0	0	110	G566 N567 C623	G566-C634 WeakPolarHBondContact O-CB 3.43Å; N567-C634 PolarHBondContact OD1-N 2.65Å; C623-C634 HydrophobicContact CB-CB 3.89Å; C623-C634 WeakPolarHBondContact CB-SG 3.21Å; C623-C634 WeakPolarHBondContact SG-CA 3.1Å; C623-C634 WeakPolarHBondContact SG-CB 3.49Å; C623-C634 CovalentContact SG-SG 2.04Å; C623-C634 PolarHBondContact SG-SG 3Å
635	V	95.8	Very high	91	Very high	41 Å²	41	62.7 Å²	62.7	25%	0.248	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	163.7	-174.2	-61.8	0	0	0	0	111.6	K627 I628 R630 Q633 V639	K627-V635 CarbonylContact C-O 3.57Å; K627-V635 WeakPolarHBondContact CA-O 2.99Å; K627-V635 VanDerWaalsContact CB-O 3.23Å; K627-V635 WeakPolarHBondContact CB-O 3Å; K627-V635 WeakPolarHBondContact CG-O 3.34Å; I628-V635 HydrophobicContact CD1-CG2 3.9Å; I628-V635 HydrophobicContact CG1-CG2 4.49Å; I628-V635 PolarHBondContact N-O 3.15Å; I628-V635 WeakPolarHBondContact O-CG2 3.39Å; I628-V635 PolarHBondContact O-N 2.91Å; R630-V635 HydrophobicContact CB-CG2 3.79Å; Q633-V635 HydrophobicContact CB-CG1 4.02Å; Q633-V635 PolarHBondContact O-N 3.05Å; V635-V639 HydrophobicContact CG2-CG1 4.44Å; V635-V639 HydrophobicContact CG2-CG2 3.83Å
636	D	96	Very high	91.1	Very high	81 Å²	81	60.3 Å²	60.3	43%	0.433	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	139	176.5	-166.2	-80.8	0	0	0	111.9	S638 V639	D636-S638 PolarHBondContact O-N 3.23Å; D636-S638 WeakPolarHBondContact OD1-CB 3.46Å; D636-S638 PolarHBondContact OD1-N 3.45Å; D636-S638 PolarHBondContact OD1-OG 3.28Å; D636-V639 WeakPolarHBondContact O-CG1 3.34Å; D636-V639 WeakPolarHBondContact O-CG2 3.3Å; D636-V639 PolarHBondContact O-N 3.29Å
637	A	92.7	Very high	91.1	Very high	18 Å²	18	62 Å²	62	15%	0.149	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-64.7	-18.8	-177	0	0	0	0	0	113.5	Y511 D626 I628 V639 L640	Y511-A637 HydrophobicContact CE2-CB 4.44Å; D626-A637 WeakPolarHBondContact O-CB 3.32Å; D626-A637 PolarHBondContact O-N 2.87Å; I628-A637 HydrophobicContact CG2-CB 4.28Å; A637-V639 PolarHBondContact O-N 3.23Å; A637-V639 VanDerWaalsContact O-N 3.1Å; A637-L640 WeakPolarHBondContact O-CB 2.99Å; A637-L640 WeakPolarHBondContact O-CG 3.25Å; A637-L640 PolarHBondContact O-N 2.79Å; A637-L640 VanDerWaalsContact O-N 3.12Å
638	S	91.1	Very high	91	Very high	77 Å²	77	65.3 Å²	65.3	54%	0.538	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-55.7	-23.9	173.8	55.7	0	0	0	0	114.1	D636 L640 N641	D636-S638 PolarHBondContact O-N 3.23Å; D636-S638 WeakPolarHBondContact OD1-CB 3.46Å; D636-S638 PolarHBondContact OD1-N 3.45Å; D636-S638 PolarHBondContact OD1-OG 3.28Å; S638-L640 PolarHBondContact O-N 2.91Å; S638-N641 PolarHBondContact O-N 3.47Å
639	V	89.8	Confident	90.8	Very high	50 Å²	50	68.8 Å²	68.8	30%	0.303	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-64.2	-9.5	176.7	-53.3	0	0	0	0	114.4	I628 R630 V635 D636 A637 N641	I628-V639 HydrophobicContact CD1-CG2 3.92Å; I628-V639 HydrophobicContact CG1-CG2 4.42Å; R630-V639 PolarHBondContact NH1-O 2.78Å; V635-V639 HydrophobicContact CG2-CG1 4.44Å; V635-V639 HydrophobicContact CG2-CG2 3.83Å; D636-V639 WeakPolarHBondContact O-CG1 3.34Å; D636-V639 WeakPolarHBondContact O-CG2 3.3Å; D636-V639 PolarHBondContact O-N 3.29Å; A637-V639 PolarHBondContact O-N 3.23Å; A637-V639 VanDerWaalsContact O-N 3.1Å; V639-N641 VanDerWaalsContact C-N 3.35Å
640	L	85.4	Confident	91	Very high	19 Å²	19	68.7 Å²	68.7	10%	0.099	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-82.3	-11.8	172.8	-58.8	-178.8	0	0	0	112.8	Y513 I628 A637 S638 Y642	Y513-L640 HydrophobicContact CD2-CD2 3.74Å; Y513-L640 HydrophobicContact CE2-CD2 3.67Å; I628-L640 HydrophobicContact CD1-CD2 4.15Å; I628-L640 HydrophobicContact CD1-CG 4.46Å; I628-L640 HydrophobicContact CG1-CD1 4.19Å; I628-L640 HydrophobicContact CG1-CD2 4.43Å; I628-L640 HydrophobicContact CG1-CG 4.23Å; I628-L640 HydrophobicContact CG2-CD1 4.33Å; A637-L640 WeakPolarHBondContact O-CB 2.99Å; A637-L640 WeakPolarHBondContact O-CG 3.25Å; A637-L640 PolarHBondContact O-N 2.79Å; A637-L640 VanDerWaalsContact O-N 3.12Å; S638-L640 PolarHBondContact O-N 2.91Å; L640-Y642 VanDerWaalsContact C-N 3.28Å; L640-Y642 PolarHBondContact O-N 3.12Å
641	N	88.4	Confident	91.4	Very high	120 Å²	120	67.3 Å²	67.3	64%	0.642	34%	0.343	S	S	*	.			trans	53.1	40.9	-179.6	-59.8	-49.8	0	0	0	113.8	S638 V639 D643	S638-N641 PolarHBondContact O-N 3.47Å; V639-N641 VanDerWaalsContact C-N 3.35Å; N641-D643 PolarHBondContact O-N 2.03Å
642	Y	91.3	Very high	91.9	Very high	71 Å²	71	63.2 Å²	63.2	28%	0.278	33%	0.327	S	S	.	.			trans	-71.2	111.6	174	-174.8	-93.7	0	0	0	110.5	Q500 N501 Y503 L640 C644	Q500-Y642 HydrophobicContact CB-CD2 4.25Å; Q500-Y642 HydrophobicContact CB-CE2 4.16Å; Q500-Y642 HydrophobicContact CG-CD2 4Å; Q500-Y642 HydrophobicContact CG-CE2 4.36Å; N501-Y642 WeakPolarHBondContact O-CD2 3.47Å; Y503-Y642 HydrophobicContact CD2-CE2 4.2Å; Y503-Y642 WeakPolarHBondContact CD2-OH 2.99Å; L640-Y642 VanDerWaalsContact C-N 3.28Å; L640-Y642 PolarHBondContact O-N 3.12Å; Y642-C644 HydrophobicContact CE1-CB 4.15Å; Y642-C644 VanDerWaalsContact CE1-O 3.29Å; Y642-C644 WeakPolarHBondContact CE1-O 3.29Å; Y642-C644 HydrophobicContact CE2-CB 4.01Å; Y642-C644 PolarHBondContact OH-O 3.3Å
643	D	90.3	Very high	92.3	Very high	91 Å²	91	61.9 Å²	61.9	49%	0.487	32%	0.322	S	S	.	.			trans	-121.6	15.5	-173.3	62.2	-16.3	0	0	0	113.4	Q500 N641 D645 K660	Q500-D643 PolarHBondContact NE2-OD1 3.13Å; N641-D643 PolarHBondContact O-N 2.03Å; D643-D645 PolarHBondContact O-N 2.73Å; D643-K660 WeakPolarHBondContact OD1-CE 3.11Å; D643-K660 IonicContact OD1-NZ 3.06Å; D643-K660 PolarHBondContact OD1-NZ 2.68Å; D643-K660 IonicContact OD2-NZ 2.67Å; D643-K660 PolarHBondContact OD2-NZ 3.44Å
644	C	90.6	Very high	92.3	Very high	7 Å²	7	58.2 Å²	58.2	5%	0.047	31%	0.306	C	S	.	.			trans	-91.6	99	-178.4	-175.2	0	0	0	0	112.5	Y642 I646 C656	Y642-C644 HydrophobicContact CE1-CB 4.15Å; Y642-C644 VanDerWaalsContact CE1-O 3.29Å; Y642-C644 WeakPolarHBondContact CE1-O 3.29Å; Y642-C644 HydrophobicContact CE2-CB 4.01Å; Y642-C644 PolarHBondContact OH-O 3.3Å; C644-I646 PolarHBondContact O-N 3.43Å; C644-I646 VanDerWaalsContact O-N 3.13Å; C644-C656 HydrophobicContact CB-CB 3.52Å; C644-C656 WeakPolarHBondContact CB-SG 3.28Å; C644-C656 WeakPolarHBondContact SG-CB 3.14Å; C644-C656 CovalentContact SG-SG 2.03Å; C644-C656 PolarHBondContact SG-SG 3.37Å
645	D	91.9	Very high	92.3	Very high	63 Å²	63	58.3 Å²	58.3	34%	0.337	31%	0.306	S	S	.	.			trans	-75.2	94.3	162.5	-173.6	-36	0	0	0	109.5	D643 Q647 K648 K649	D643-D645 PolarHBondContact O-N 2.73Å; D645-Q647 PolarHBondContact O-N 2.8Å; D645-Q647 PolarHBondContact OD1-N 3.07Å; D645-Q647 VanDerWaalsContact OD1-N 3.15Å; D645-K648 HydrophobicContact CB-CB 4.25Å; D645-K648 PolarHBondContact O-N 3.4Å; D645-K648 PolarHBondContact OD1-N 3.38Å; D645-K648 WeakPolarHBondContact OD2-CD 3.46Å; D645-K648 IonicContact OD2-NZ 2.57Å; D645-K648 PolarHBondContact OD2-NZ 2.91Å; D645-K649 WeakPolarHBondContact O-CB 3.36Å; D645-K649 PolarHBondContact O-N 3.46Å
646	I	92.4	Very high	92.2	Very high	40 Å²	40	56.3 Å²	56.3	21%	0.205	29%	0.294	C	S	.	.	H	α-helix	trans	-55.1	-36.6	-176.7	-58.1	162.5	0	0	0	112	Y503 C644 C650 H651 G652 G654	Y503-I646 HydrophobicContact CD2-CD1 4.27Å; Y503-I646 HydrophobicContact CE2-CD1 3.54Å; Y503-I646 HydrophobicContact CE2-CG1 4.41Å; C644-I646 PolarHBondContact O-N 3.43Å; C644-I646 VanDerWaalsContact O-N 3.13Å; I646-C650 HydrophobicContact CG2-CB 4.43Å; I646-C650 CarbonylContact O-C 3.47Å; I646-C650 WeakPolarHBondContact O-CA 3.3Å; I646-C650 PolarHBondContact O-N 2.83Å; I646-H651 PolarHBondContact O-N 2.75Å; I646-H651 VanDerWaalsContact O-N 3.15Å; I646-G652 PolarHBondContact O-N 3.45Å; I646-G654 WeakPolarHBondContact CG2-O 3.16Å
647	Q	92.8	Very high	91.9	Very high	139 Å²	139	52.5 Å²	52.5	65%	0.65	27%	0.274	S	S	*	.	H	α-helix	trans	-73.6	-37	-176.4	-65.8	-66.7	-45.5	0	0	111.8	D645 H651	D645-Q647 PolarHBondContact O-N 2.8Å; D645-Q647 PolarHBondContact OD1-N 3.07Å; D645-Q647 VanDerWaalsContact OD1-N 3.15Å; Q647-H651 WeakPolarHBondContact O-CA 3.32Å
648	K	91.4	Very high	91.6	Very high	160 Å²	160	53.5 Å²	53.5	70%	0.696	28%	0.28	S	S	*	.	H	α-helix	trans	-86.6	-30.4	177.2	-63.6	-172.8	-171.5	72.7	0	114.1	D645	D645-K648 HydrophobicContact CB-CB 4.25Å; D645-K648 PolarHBondContact O-N 3.4Å; D645-K648 PolarHBondContact OD1-N 3.38Å; D645-K648 WeakPolarHBondContact OD2-CD 3.46Å; D645-K648 IonicContact OD2-NZ 2.57Å; D645-K648 PolarHBondContact OD2-NZ 2.91Å
649	K	92.2	Very high	91.3	Very high	72 Å²	72	54.3 Å²	54.3	31%	0.313	28%	0.278	S	S	.	.	H	α-helix	trans	-99.5	-39.4	-169.7	-171.1	173.7	172.3	-176.5	0	113.2	D645 K660 C662	D645-K649 WeakPolarHBondContact O-CB 3.36Å; D645-K649 PolarHBondContact O-N 3.46Å; K649-K660 WeakPolarHBondContact CE-O 3.05Å; K649-K660 PolarHBondContact NZ-O 2.78Å; K649-C662 PolarHBondContact O-SG 3.15Å
650	C	94.4	Very high	91.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.28	C	S	.	.	S	Bend	trans	-118.5	20.9	-179.2	-49.4	0	0	0	0	111.9	I646 G652 H653 C662 N672 C673	I646-C650 HydrophobicContact CG2-CB 4.43Å; I646-C650 CarbonylContact O-C 3.47Å; I646-C650 WeakPolarHBondContact O-CA 3.3Å; I646-C650 PolarHBondContact O-N 2.83Å; C650-G652 PolarHBondContact O-N 3.39Å; C650-H653 PolarHBondContact O-N 3.03Å; C650-C662 WeakPolarHBondContact CA-SG 3.31Å; C650-C662 HydrophobicContact CB-CB 3.82Å; C650-C662 WeakPolarHBondContact CB-SG 3.33Å; C650-C662 WeakPolarHBondContact SG-CB 3.06Å; C650-C662 CovalentContact SG-SG 2.04Å; C650-C662 PolarHBondContact SG-SG 2.83Å; C650-N672 CarbonylContact C-O 3.47Å; C650-N672 VanDerWaalsContact C-O 3.28Å; C650-N672 VanDerWaalsContact CA-O 3.29Å; C650-N672 WeakPolarHBondContact CA-O 3.05Å; C650-C673 WeakPolarHBondContact O-CB 3.31Å
651	H	94.7	Very high	91.8	Very high	68 Å²	68	57.8 Å²	57.8	32%	0.315	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	21	178.2	-65.5	87	0	0	0	116.6	I646 Q647 H653 N672 E674	I646-H651 PolarHBondContact O-N 2.75Å; I646-H651 VanDerWaalsContact O-N 3.15Å; Q647-H651 WeakPolarHBondContact O-CA 3.32Å; H651-H653 VanDerWaalsContact C-N 3.3Å; H651-H653 PolarHBondContact O-CD2 2.88Å; H651-N672 PolarHBondContact ND1-O 2.99Å; H651-E674 IonicContact CE1-OE2 3.97Å
652	G	93.7	Very high	92	Very high	24 Å²	24	52.2 Å²	52.2	25%	0.247	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	17.9	-173.3	0	0	0	0	0	114.6	I646 C650	I646-G652 PolarHBondContact O-N 3.45Å; C650-G652 PolarHBondContact O-N 3.39Å
653	H	94.6	Very high	92.2	Very high	57 Å²	57	49.6 Å²	49.6	26%	0.264	25%	0.252	S	S	.	.	S	Bend	trans	-130.8	27.9	-168.2	-63.8	-26.7	0	0	0	113	C650 H651 C664 E665 W668 C673	C650-H653 PolarHBondContact O-N 3.03Å; H651-H653 VanDerWaalsContact C-N 3.3Å; H651-H653 PolarHBondContact O-CD2 2.88Å; H653-C664 WeakPolarHBondContact O-CA 3.34Å; H653-E665 PolarHBondContact O-N 3.29Å; H653-W668 HydrophobicContact CB-CB 4.22Å; H653-W668 HydrophobicContact CB-CD2 3.85Å; H653-W668 HydrophobicContact CB-CG 3.63Å; H653-W668 AromaticContact CD2-CD2 3.5Å; H653-W668 VanDerWaalsContact CD2-CD2 3.5Å; H653-W668 AromaticContact CD2-CE2 3.31Å; H653-W668 AromaticContact CD2-CE3 3.64Å; H653-W668 AromaticContact CD2-CH2 3.47Å; H653-W668 VanDerWaalsContact CD2-CH2 3.47Å; H653-W668 WeakPolarHBondContact CD2-CH2 3.49Å; H653-W668 AromaticContact CD2-CZ2 3.33Å; H653-W668 WeakPolarHBondContact CD2-CZ2 3.41Å; H653-W668 AromaticContact CD2-CZ3 3.62Å; H653-W668 AromaticContact CD2-NE1 3.91Å; H653-W668 AromaticContact CE1-CZ2 3.73Å; H653-W668 AromaticContact CG-CD1 3.91Å; H653-W668 AromaticContact CG-CD2 3.71Å; H653-W668 AromaticContact CG-CE2 3.47Å; H653-W668 VanDerWaalsContact CG-CE2 3.47Å; H653-W668 AromaticContact CG-CZ2 3.88Å; H653-W668 AromaticContact CG-NE1 3.56Å; H653-W668 AromaticContact ND1-CE2 3.91Å; H653-W668 AromaticContact ND1-NE1 3.8Å; H653-W668 AromaticContact NE2-CE2 3.69Å; H653-W668 AromaticContact NE2-CH2 3.4Å; H653-W668 WeakPolarHBondContact NE2-CH2 3.3Å; H653-W668 AromaticContact NE2-CZ2 3.22Å; H653-W668 WeakPolarHBondContact NE2-CZ2 3.37Å; H653-C673 HydrophobicContact CB-CB 3.79Å; H653-C673 WeakPolarHBondContact O-CB 3.31Å
654	G	93.4	Very high	92.3	Very high	5 Å²	5	45.5 Å²	45.5	5%	0.052	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.7	-174.2	-178.9	0	0	0	0	0	112.6	I646 H663	I646-G654 WeakPolarHBondContact CG2-O 3.16Å; G654-H663 CarbonylContact C-O 3.21Å; G654-H663 WeakPolarHBondContact CA-O 3.13Å
655	V	94.8	Very high	92.4	Very high	21 Å²	21	50.7 Å²	50.7	13%	0.127	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	153.8	179.4	-59.2	0	0	0	0	110.5	V482 I499 Y503 C662 H663	V482-V655 HydrophobicContact CG1-CG2 4.24Å; I499-V655 HydrophobicContact CD1-CB 4.49Å; I499-V655 HydrophobicContact CD1-CG2 3.96Å; I499-V655 HydrophobicContact CG1-CG2 3.98Å; I499-V655 HydrophobicContact CG2-CB 4.35Å; I499-V655 HydrophobicContact CG2-CG2 4.44Å; Y503-V655 HydrophobicContact CD2-CB 4.44Å; Y503-V655 HydrophobicContact CD2-CG1 4.49Å; Y503-V655 HydrophobicContact CE2-CB 3.89Å; Y503-V655 HydrophobicContact CE2-CG1 3.56Å; Y503-V655 WeakPolarHBondContact OH-CG1 3.39Å; V655-C662 CarbonylContact O-C 3.59Å; V655-C662 WeakPolarHBondContact O-CA 3.39Å; V655-H663 HydrophobicContact CG2-CB 4.24Å; V655-H663 PolarHBondContact N-O 3.21Å; V655-H663 PolarHBondContact O-N 2.83Å
656	C	94.8	Very high	92.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	136.4	168.7	-74.2	0	0	0	0	111.4	Q500 C644 N661	Q500-C656 HydrophobicContact CB-CB 4.17Å; Q500-C656 WeakPolarHBondContact CB-O 3.41Å; Q500-C656 PolarHBondContact N-O 2.67Å; Q500-C656 VanDerWaalsContact OE1-CB 3.31Å; C644-C656 HydrophobicContact CB-CB 3.52Å; C644-C656 WeakPolarHBondContact CB-SG 3.28Å; C644-C656 WeakPolarHBondContact SG-CB 3.14Å; C644-C656 CovalentContact SG-SG 2.03Å; C644-C656 PolarHBondContact SG-SG 3.37Å; C656-N661 CarbonylContact C-O 3.38Å; C656-N661 VanDerWaalsContact CA-O 3.32Å; C656-N661 WeakPolarHBondContact CA-O 3.38Å
657	N	88.7	Confident	92	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-87.3	179.1	171.4	70.3	13.9	0	0	0	112.4	V497 F498 N659 K660 N661 S681 D683	V497-N657 HydrophobicContact CB-CB 4.37Å; V497-N657 HydrophobicContact CG2-CB 4.46Å; F498-N657 CarbonylContact O-C 3.46Å; F498-N657 VanDerWaalsContact O-C 3.26Å; F498-N657 WeakPolarHBondContact O-CA 3.49Å; N657-N659 PolarHBondContact O-N 3.17Å; N657-N659 WeakPolarHBondContact OD1-CA 3.19Å; N657-N659 PolarHBondContact OD1-N 3.29Å; N657-N659 VanDerWaalsContact OD1-N 3.1Å; N657-K660 WeakPolarHBondContact O-CA 3.46Å; N657-K660 PolarHBondContact O-N 2.79Å; N657-K660 PolarHBondContact OD1-N 3.33Å; N657-K660 VanDerWaalsContact OD1-N 3.12Å; N657-N661 PolarHBondContact N-O 2.69Å; N657-N661 PolarHBondContact OD1-N 3.32Å; N657-N661 PolarHBondContact OD1-O 2.98Å; N657-S681 PolarHBondContact ND2-OG 2.9Å; N657-D683 PolarHBondContact ND2-OD2 3.45Å
658	S	86.5	Confident	92	Very high	39 Å²	39	50 Å²	50	27%	0.273	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-30.7	178.8	48.4	0	0	0	0	113.7	F498 K660	F498-S658 PolarHBondContact N-OG 2.97Å; F498-S658 PolarHBondContact O-N 3.19Å; S658-K660 PolarHBondContact O-N 2.99Å
659	N	86.3	Confident	91.8	Very high	94 Å²	94	43.4 Å²	43.4	50%	0.503	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	2.4	172.9	-68.4	-10	0	0	0	113.3	N657 N661 D683	N657-N659 PolarHBondContact O-N 3.17Å; N657-N659 WeakPolarHBondContact OD1-CA 3.19Å; N657-N659 PolarHBondContact OD1-N 3.29Å; N657-N659 VanDerWaalsContact OD1-N 3.1Å; N659-N661 VanDerWaalsContact C-N 3.29Å; N659-N661 PolarHBondContact O-N 2.04Å; N659-D683 PolarHBondContact ND2-OD1 2.94Å
660	K	91.2	Very high	91.8	Very high	81 Å²	81	41.8 Å²	41.8	35%	0.352	23%	0.229	S	C	.	.	S	Bend	trans	64.9	20.7	-176.5	-53.2	-171.6	172.5	-163.8	0	114.9	D643 K649 N657 S658	D643-K660 WeakPolarHBondContact OD1-CE 3.11Å; D643-K660 IonicContact OD1-NZ 3.06Å; D643-K660 PolarHBondContact OD1-NZ 2.68Å; D643-K660 IonicContact OD2-NZ 2.67Å; D643-K660 PolarHBondContact OD2-NZ 3.44Å; K649-K660 WeakPolarHBondContact CE-O 3.05Å; K649-K660 PolarHBondContact NZ-O 2.78Å; N657-K660 WeakPolarHBondContact O-CA 3.46Å; N657-K660 PolarHBondContact O-N 2.79Å; N657-K660 PolarHBondContact OD1-N 3.33Å; N657-K660 VanDerWaalsContact OD1-N 3.12Å; S658-K660 PolarHBondContact O-N 2.99Å
661	N	92.6	Very high	91.6	Very high	61 Å²	61	45.9 Å²	45.9	33%	0.326	26%	0.256	S	S	.	.			trans	-94.6	161.4	170.1	-62	-44.5	0	0	0	110.8	C656 N657 N659 V682 D683	C656-N661 CarbonylContact C-O 3.38Å; C656-N661 VanDerWaalsContact CA-O 3.32Å; C656-N661 WeakPolarHBondContact CA-O 3.38Å; N657-N661 PolarHBondContact N-O 2.69Å; N657-N661 PolarHBondContact OD1-N 3.32Å; N657-N661 PolarHBondContact OD1-O 2.98Å; N659-N661 VanDerWaalsContact C-N 3.29Å; N659-N661 PolarHBondContact O-N 2.04Å; N661-V682 HydrophobicContact CB-CG2 3.73Å; N661-D683 VanDerWaalsContact CB-OD2 3.25Å; N661-D683 WeakPolarHBondContact CB-OD2 3.22Å; N661-D683 PolarHBondContact ND2-OD1 2.82Å; N661-D683 PolarHBondContact ND2-OD2 3.1Å
662	C	94.4	Very high	91.5	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.02	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	134.5	175.9	-58.8	0	0	0	0	111.3	K649 C650 V655 P671 S681	K649-C662 PolarHBondContact O-SG 3.15Å; C650-C662 WeakPolarHBondContact CA-SG 3.31Å; C650-C662 HydrophobicContact CB-CB 3.82Å; C650-C662 WeakPolarHBondContact CB-SG 3.33Å; C650-C662 WeakPolarHBondContact SG-CB 3.06Å; C650-C662 CovalentContact SG-SG 2.04Å; C650-C662 PolarHBondContact SG-SG 2.83Å; V655-C662 CarbonylContact O-C 3.59Å; V655-C662 WeakPolarHBondContact O-CA 3.39Å; C662-P671 WeakPolarHBondContact CB-O 3.37Å; C662-S681 WeakPolarHBondContact O-CB 3.25Å; C662-S681 PolarHBondContact O-OG 3.46Å
663	H	93.8	Very high	91.5	Very high	16 Å²	16	43.6 Å²	43.6	7%	0.074	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	113.5	160.5	-170.3	111.4	0	0	0	107.4	V482 P483 G654 V655 G680 S684	V482-H663 HydrophobicContact CG1-CB 4.32Å; P483-H663 PolarHBondContact O-CE1 3.01Å; P483-H663 VanDerWaalsContact O-CE1 3.28Å; G654-H663 CarbonylContact C-O 3.21Å; G654-H663 WeakPolarHBondContact CA-O 3.13Å; V655-H663 HydrophobicContact CG2-CB 4.24Å; V655-H663 PolarHBondContact N-O 3.21Å; V655-H663 PolarHBondContact O-N 2.83Å; H663-G680 CarbonylContact C-O 3.28Å; H663-G680 WeakPolarHBondContact CA-O 3.39Å; H663-S684 WeakPolarHBondContact ND1-CB 3.43Å; H663-S684 PolarHBondContact ND1-OG 3.23Å
664	C	93.6	Very high	91.4	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.034	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	151.3	-169.3	-57.7	0	0	0	0	112.8	H653 W668 A669 C673 G679 G680	H653-C664 WeakPolarHBondContact O-CA 3.34Å; C664-W668 HydrophobicContact CB-CB 4.24Å; C664-A669 VanDerWaalsContact SG-C 3.56Å; C664-C673 WeakPolarHBondContact CA-SG 3.41Å; C664-C673 HydrophobicContact CB-CB 3.83Å; C664-C673 WeakPolarHBondContact CB-SG 3.46Å; C664-C673 WeakPolarHBondContact SG-CA 3.42Å; C664-C673 WeakPolarHBondContact SG-CB 3.07Å; C664-C673 PolarHBondContact SG-N 2.83Å; C664-C673 CovalentContact SG-SG 2.04Å; C664-C673 PolarHBondContact SG-SG 2.83Å; C664-G679 CarbonylContact O-C 3.55Å; C664-G679 WeakPolarHBondContact O-CA 3.29Å; C664-G680 PolarHBondContact N-O 3.19Å; C664-G680 PolarHBondContact O-N 3.45Å
665	E	91.6	Very high	91.3	Very high	116 Å²	116	49.8 Å²	49.8	54%	0.542	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-73.6	153.8	172.6	-64.2	-176.1	170	0	0	111.8	H653 G667 W668 G679	H653-E665 PolarHBondContact O-N 3.29Å; E665-G667 PolarHBondContact O-N 3.31Å; E665-W668 PolarHBondContact O-N 2.57Å; E665-G679 WeakPolarHBondContact O-CA 3.42Å
666	N	88.1	Confident	91.1	Very high	135 Å²	135	57.5 Å²	57.5	72%	0.722	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	124	175.1	-177.5	10.5	0	0	0	110.6	Y678	N666-Y678 WeakPolarHBondContact CA-O 3.15Å; N666-Y678 PolarHBondContact OD1-O 3.15Å
667	G	88.3	Confident	90.6	Very high	29 Å²	29	58.5 Å²	58.5	30%	0.299	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	116.3	-17.7	-166.4	0	0	0	0	0	113.4	E665 K676 G677	E665-G667 PolarHBondContact O-N 3.31Å; G667-K676 VanDerWaalsContact O-CA 3.24Å; G667-K676 WeakPolarHBondContact O-CA 3.35Å; G667-G677 CarbonylContact C-O 3.28Å; G667-G677 WeakPolarHBondContact CA-O 3.41Å; G667-G677 PolarHBondContact N-O 3.09Å; G667-G677 PolarHBondContact O-N 2.9Å
668	W	92.1	Very high	90.4	Very high	65 Å²	65	64 Å²	64	25%	0.246	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	161.9	-174.8	-57.6	97	0	0	0	112.9	H653 C664 E665 C673 T675 G677 Y678 G679	H653-W668 HydrophobicContact CB-CB 4.22Å; H653-W668 HydrophobicContact CB-CD2 3.85Å; H653-W668 HydrophobicContact CB-CG 3.63Å; H653-W668 AromaticContact CD2-CD2 3.5Å; H653-W668 VanDerWaalsContact CD2-CD2 3.5Å; H653-W668 AromaticContact CD2-CE2 3.31Å; H653-W668 AromaticContact CD2-CE3 3.64Å; H653-W668 AromaticContact CD2-CH2 3.47Å; H653-W668 VanDerWaalsContact CD2-CH2 3.47Å; H653-W668 WeakPolarHBondContact CD2-CH2 3.49Å; H653-W668 AromaticContact CD2-CZ2 3.33Å; H653-W668 WeakPolarHBondContact CD2-CZ2 3.41Å; H653-W668 AromaticContact CD2-CZ3 3.62Å; H653-W668 AromaticContact CD2-NE1 3.91Å; H653-W668 AromaticContact CE1-CZ2 3.73Å; H653-W668 AromaticContact CG-CD1 3.91Å; H653-W668 AromaticContact CG-CD2 3.71Å; H653-W668 AromaticContact CG-CE2 3.47Å; H653-W668 VanDerWaalsContact CG-CE2 3.47Å; H653-W668 AromaticContact CG-CZ2 3.88Å; H653-W668 AromaticContact CG-NE1 3.56Å; H653-W668 AromaticContact ND1-CE2 3.91Å; H653-W668 AromaticContact ND1-NE1 3.8Å; H653-W668 AromaticContact NE2-CE2 3.69Å; H653-W668 AromaticContact NE2-CH2 3.4Å; H653-W668 WeakPolarHBondContact NE2-CH2 3.3Å; H653-W668 AromaticContact NE2-CZ2 3.22Å; H653-W668 WeakPolarHBondContact NE2-CZ2 3.37Å; C664-W668 HydrophobicContact CB-CB 4.24Å; E665-W668 PolarHBondContact O-N 2.57Å; W668-C673 HydrophobicContact CB-CB 4.12Å; W668-T675 CarbonylContact C-O 3.54Å; W668-T675 VanDerWaalsContact CA-O 3.31Å; W668-T675 WeakPolarHBondContact CA-O 3.49Å; W668-G677 VanDerWaalsContact C-CA 3.5Å; W668-G677 PolarHBondContact N-O 3.36Å; W668-G677 CarbonylContact O-C 3.35Å; W668-G677 VanDerWaalsContact O-C 3.31Å; W668-G677 WeakPolarHBondContact O-CA 3.42Å; W668-Y678 PolarHBondContact O-N 3.09Å; W668-G679 WeakPolarHBondContact O-CA 3.42Å; W668-G679 PolarHBondContact O-N 2.04Å
669	A	89.3	Confident	90.4	Very high	20 Å²	20	62.3 Å²	62.3	17%	0.165	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	135.7	-173.8	0	0	0	0	0	113	C664 C673 T675	C664-A669 VanDerWaalsContact SG-C 3.56Å; A669-C673 WeakPolarHBondContact O-CA 3.39Å; A669-C673 PolarHBondContact O-N 3.24Å; A669-T675 PolarHBondContact N-O 2.99Å
670	P	90.4	Very high	90.6	Very high	38 Å²	38	57.9 Å²	57.9	25%	0.247	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	157.4	165.9	26.8	-34	0	0	0	111.1	G679 V682	P670-G679 VanDerWaalsContact CD-O 3.3Å; P670-G679 WeakPolarHBondContact CD-O 3.29Å; P670-V682 HydrophobicContact CB-CG1 4.21Å
671	P	90.8	Very high	90.5	Very high	87 Å²	87	54 Å²	54	57%	0.565	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	cis	-89.5	-11.9	15	34.9	-37.3	0	0	0	115.7	C662 V682	C662-P671 WeakPolarHBondContact CB-O 3.37Å; P671-V682 HydrophobicContact CB-CG1 3.95Å
672	N	92.1	Very high	90.3	Very high	44 Å²	44	55.1 Å²	55.1	24%	0.235	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	3	-168.6	70.7	-11	0	0	0	114.5	C650 H651 E674	C650-N672 CarbonylContact C-O 3.47Å; C650-N672 VanDerWaalsContact C-O 3.28Å; C650-N672 VanDerWaalsContact CA-O 3.29Å; C650-N672 WeakPolarHBondContact CA-O 3.05Å; H651-N672 PolarHBondContact ND1-O 2.99Å; N672-E674 PolarHBondContact ND2-OE2 3.04Å; N672-E674 PolarHBondContact O-N 2.93Å; N672-E674 VanDerWaalsContact O-N 3.15Å; N672-E674 VanDerWaalsContact OD1-CB 3.25Å; N672-E674 WeakPolarHBondContact OD1-CB 3.43Å; N672-E674 PolarHBondContact OD1-N 2.9Å
673	C	93.6	Very high	89.6	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.302	C	S	.	.	S	Bend	trans	58.6	21.3	-179.6	-35.9	0	0	0	0	115.1	C650 H653 C664 W668 A669	C650-C673 WeakPolarHBondContact O-CB 3.31Å; H653-C673 HydrophobicContact CB-CB 3.79Å; H653-C673 WeakPolarHBondContact O-CB 3.31Å; C664-C673 WeakPolarHBondContact CA-SG 3.41Å; C664-C673 HydrophobicContact CB-CB 3.83Å; C664-C673 WeakPolarHBondContact CB-SG 3.46Å; C664-C673 WeakPolarHBondContact SG-CA 3.42Å; C664-C673 WeakPolarHBondContact SG-CB 3.07Å; C664-C673 PolarHBondContact SG-N 2.83Å; C664-C673 CovalentContact SG-SG 2.04Å; C664-C673 PolarHBondContact SG-SG 2.83Å; W668-C673 HydrophobicContact CB-CB 4.12Å; A669-C673 WeakPolarHBondContact O-CA 3.39Å; A669-C673 PolarHBondContact O-N 3.24Å
674	E	94	Very high	88.6	Confident	111 Å²	111	55.8 Å²	55.8	52%	0.519	30%	0.298	S	S	.	.			trans	-78.4	-30.7	-179.4	-171.7	-176.1	170.6	0	0	113.1	H651 N672	H651-E674 IonicContact CE1-OE2 3.97Å; N672-E674 PolarHBondContact ND2-OE2 3.04Å; N672-E674 PolarHBondContact O-N 2.93Å; N672-E674 VanDerWaalsContact O-N 3.15Å; N672-E674 VanDerWaalsContact OD1-CB 3.25Å; N672-E674 WeakPolarHBondContact OD1-CB 3.43Å; N672-E674 PolarHBondContact OD1-N 2.9Å
675	T	91.6	Very high	87.6	Confident	81 Å²	81	55.6 Å²	55.6	50%	0.497	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	157.8	-173.5	58.5	0	0	0	0	111.2	W668 A669	W668-T675 CarbonylContact C-O 3.54Å; W668-T675 VanDerWaalsContact CA-O 3.31Å; W668-T675 WeakPolarHBondContact CA-O 3.49Å; A669-T675 PolarHBondContact N-O 2.99Å
676	K	88.6	Confident	86.5	Confident	183 Å²	183	53 Å²	53	80%	0.796	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	135.6	-177.8	-70.4	-173.9	176.2	-177.3	0	111.9	G667	G667-K676 VanDerWaalsContact O-CA 3.24Å; G667-K676 WeakPolarHBondContact O-CA 3.35Å
677	G	86.1	Confident	85.5	Confident	21 Å²	21	47.5 Å²	47.5	22%	0.216	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	-154.6	-178.1	0	0	0	0	0	112.2	G667 W668	G667-G677 CarbonylContact C-O 3.28Å; G667-G677 WeakPolarHBondContact CA-O 3.41Å; G667-G677 PolarHBondContact N-O 3.09Å; G667-G677 PolarHBondContact O-N 2.9Å; W668-G677 VanDerWaalsContact C-CA 3.5Å; W668-G677 PolarHBondContact N-O 3.36Å; W668-G677 CarbonylContact O-C 3.35Å; W668-G677 VanDerWaalsContact O-C 3.31Å; W668-G677 WeakPolarHBondContact O-CA 3.42Å
678	Y	82.7	Confident	84.4	Confident	115 Å²	115	52.9 Å²	52.9	45%	0.451	27%	0.274	S	S	.	.			trans	-115.5	1.8	-175.8	-59	-68.4	0	0	0	113.8	N666 W668 T687 N689	N666-Y678 WeakPolarHBondContact CA-O 3.15Å; N666-Y678 PolarHBondContact OD1-O 3.15Å; W668-Y678 PolarHBondContact O-N 3.09Å; Y678-T687 VanDerWaalsContact CB-OG1 3.29Å; Y678-T687 WeakPolarHBondContact CB-OG1 3.47Å; Y678-T687 WeakPolarHBondContact O-CB 3.16Å; Y678-T687 PolarHBondContact O-OG1 3.03Å; Y678-T687 VanDerWaalsContact O-OG1 3.09Å; Y678-N689 HydrophobicContact CD1-CB 4.28Å; Y678-N689 HydrophobicContact CE1-CB 3.9Å; Y678-N689 HydrophobicContact CE2-CB 4.19Å
679	G	87.9	Confident	82.6	Confident	3 Å²	3	54.2 Å²	54.2	3%	0.031	29%	0.286	C	S	.	.			trans	104.1	-152.6	-173.5	0	0	0	0	0	114.1	C664 E665 W668 P670 T687	C664-G679 CarbonylContact O-C 3.55Å; C664-G679 WeakPolarHBondContact O-CA 3.29Å; E665-G679 WeakPolarHBondContact O-CA 3.42Å; W668-G679 WeakPolarHBondContact O-CA 3.42Å; W668-G679 PolarHBondContact O-N 2.04Å; P670-G679 VanDerWaalsContact CD-O 3.3Å; P670-G679 WeakPolarHBondContact CD-O 3.29Å; G679-T687 WeakPolarHBondContact CA-OG1 3.31Å; G679-T687 PolarHBondContact N-OG1 2.97Å; G679-T687 VanDerWaalsContact N-OG1 3.09Å; G679-T687 PolarHBondContact O-OG1 2.83Å
680	G	89.2	Confident	80.8	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	76.9	-171.7	174.3	0	0	0	0	0	114.4	H663 C664	H663-G680 CarbonylContact C-O 3.28Å; H663-G680 WeakPolarHBondContact CA-O 3.39Å; C664-G680 PolarHBondContact N-O 3.19Å; C664-G680 PolarHBondContact O-N 3.45Å
681	S	89.6	Confident	78.9	Confident	1 Å²	1	65 Å²	65	1%	0.007	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	168.9	-176.5	-167.2	0	0	0	0	111.7	N657 C662 D683 G685	N657-S681 PolarHBondContact ND2-OG 2.9Å; C662-S681 WeakPolarHBondContact O-CB 3.25Å; C662-S681 PolarHBondContact O-OG 3.46Å; S681-D683 VanDerWaalsContact C-N 3.26Å; S681-G685 PolarHBondContact N-O 2.97Å; S681-G685 CarbonylContact O-C 3.05Å; S681-G685 VanDerWaalsContact O-C 3.31Å; S681-G685 PolarHBondContact O-N 3.21Å
682	V	87.8	Confident	77	Confident	84 Å²	84	65.8 Å²	65.8	51%	0.509	33%	0.331	S	S	.	.	S	Bend	trans	-67.9	-27.5	168.7	-64.1	0	0	0	0	112.2	N661 P670 P671	N661-V682 HydrophobicContact CB-CG2 3.73Å; P670-V682 HydrophobicContact CB-CG1 4.21Å; P671-V682 HydrophobicContact CB-CG1 3.95Å
683	D	80.7	Confident	75.3	Confident	32 Å²	32	67.4 Å²	67.4	17%	0.171	34%	0.343	C	S	.	.	S	Bend	trans	-89.9	-45.4	175.9	-48.5	-92.1	0	0	0	112.1	Q494 V497 N657 N659 N661 S681 G685	Q494-D683 WeakPolarHBondContact CB-O 3.15Å; V497-D683 HydrophobicContact CG1-CB 4.09Å; V497-D683 HydrophobicContact CG2-CB 4.24Å; N657-D683 PolarHBondContact ND2-OD2 3.45Å; N659-D683 PolarHBondContact ND2-OD1 2.94Å; N661-D683 VanDerWaalsContact CB-OD2 3.25Å; N661-D683 WeakPolarHBondContact CB-OD2 3.22Å; N661-D683 PolarHBondContact ND2-OD1 2.82Å; N661-D683 PolarHBondContact ND2-OD2 3.1Å; S681-D683 VanDerWaalsContact C-N 3.26Å; D683-G685 PolarHBondContact O-N 3.15Å
684	S	73.6	Confident	73.7	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	38%	0.375	C	S	.	.	S	Bend	trans	-77.2	0.6	-175.4	-44.1	0	0	0	0	114.7	E484 Y485 V497 H663	E484-S684 WeakPolarHBondContact CA-O 3.14Å; Y485-S684 PolarHBondContact N-O 3.12Å; V497-S684 WeakPolarHBondContact CG2-OG 3.33Å; H663-S684 WeakPolarHBondContact ND1-CB 3.43Å; H663-S684 PolarHBondContact ND1-OG 3.23Å
685	G	71.3	Confident	72.2	Confident	1 Å²	1	71.6 Å²	71.6	1%	0.01	38%	0.379	C	S	.	.			trans	83	154.9	-173.1	0	0	0	0	0	114	S681 D683	S681-G685 PolarHBondContact N-O 2.97Å; S681-G685 CarbonylContact O-C 3.05Å; S681-G685 VanDerWaalsContact O-C 3.31Å; S681-G685 PolarHBondContact O-N 3.21Å; D683-G685 PolarHBondContact O-N 3.15Å
686	P	69.1	Low	71.2	Confident	62 Å²	62	74 Å²	74	40%	0.403	38%	0.379	S	S	.	.			trans	-76.8	124.7	177.5	31.2	-33.3	0	0	0	110.7	G470	G470-P686 WeakPolarHBondContact CA-O 3.4Å; G470-P686 PolarHBondContact N-O 3.39Å
687	T	66.4	Low	70.3	Confident	20 Å²	20	68.1 Å²	68.1	12%	0.123	36%	0.357	C	S	.	.			trans	-62.5	133.7	156.8	50.4	0	0	0	0	109.6	Y485 Y678 G679	Y485-T687 HydrophobicContact CD1-CG2 4.2Å; Y485-T687 HydrophobicContact CD2-CG2 3.78Å; Y485-T687 HydrophobicContact CE1-CG2 3.91Å; Y485-T687 HydrophobicContact CE2-CG2 3.46Å; Y485-T687 VanDerWaalsContact CE2-CG2 3.46Å; Y485-T687 HydrophobicContact CG-CG2 4.14Å; Y678-T687 VanDerWaalsContact CB-OG1 3.29Å; Y678-T687 WeakPolarHBondContact CB-OG1 3.47Å; Y678-T687 WeakPolarHBondContact O-CB 3.16Å; Y678-T687 PolarHBondContact O-OG1 3.03Å; Y678-T687 VanDerWaalsContact O-OG1 3.09Å; G679-T687 WeakPolarHBondContact CA-OG1 3.31Å; G679-T687 PolarHBondContact N-OG1 2.97Å; G679-T687 VanDerWaalsContact N-OG1 3.09Å; G679-T687 PolarHBondContact O-OG1 2.83Å
688	Y	66.5	Low	69.9	Low	141 Å²	141	69.1 Å²	69.1	55%	0.553	37%	0.367	S	S	*	.			trans	-147.4	166.3	-179.3	-167.3	-88.1	0	0	0	109.2	G469 E690	G469-Y688 WeakPolarHBondContact O-CB 3.24Å; Y688-E690 HydrophobicContact CD1-CG 3.82Å; Y688-E690 HydrophobicContact CE1-CG 3.63Å
689	N	54.4	Low	69.8	Low	93 Å²	93	67.8 Å²	67.8	50%	0.497	37%	0.367	S	S	.	.			trans	-139	77.9	-166.7	-149.8	-7	0	0	0	111.3	Y678 M691	Y678-N689 HydrophobicContact CD1-CB 4.28Å; Y678-N689 HydrophobicContact CE1-CB 3.9Å; Y678-N689 HydrophobicContact CE2-CB 4.19Å; N689-M691 VanDerWaalsContact C-N 3.3Å; N689-M691 PolarHBondContact O-N 2.77Å
690	E	50.9	Low	69.7	Low	128 Å²	128	71.5 Å²	71.5	60%	0.598	39%	0.386	S	S	*	.			trans	-74.5	-14.1	-179.3	-83	-155.7	149.5	0	0	114.5	P468 Y688 N692	P468-E690 HydrophobicContact CB-CG 4.4Å; P468-E690 WeakPolarHBondContact CB-OE2 3.34Å; Y688-E690 HydrophobicContact CD1-CG 3.82Å; Y688-E690 HydrophobicContact CE1-CG 3.63Å; E690-N692 PolarHBondContact O-N 3.18Å; E690-N692 VanDerWaalsContact O-N 3.1Å
691	M	49.3	Very low	69.5	Low	158 Å²	158	75 Å²	75	78%	0.778	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	107	179.2	-69.1	-158.5	109.9	0	0	112.1	N689	N689-M691 VanDerWaalsContact C-N 3.3Å; N689-M691 PolarHBondContact O-N 2.77Å
692	N	52.5	Low	69.4	Low	102 Å²	102	79.7 Å²	79.7	55%	0.545	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	99	32.6	158.9	-49.1	-65.5	0	0	0	119.9	E690 R696	E690-N692 PolarHBondContact O-N 3.18Å; E690-N692 VanDerWaalsContact O-N 3.1Å; N692-R696 WeakPolarHBondContact O-CB 3.47Å
693	T	55.8	Low	69.4	Low	79 Å²	79	81.6 Å²	81.6	49%	0.485	43%	0.429	S	S	.	.	S	Bend	trans	-93.1	-69	154.1	50.7	0	0	0	0	111.1	L695 R696 D697	T693-L695 VanDerWaalsContact C-N 3.31Å; T693-L695 PolarHBondContact O-N 3.15Å; T693-L695 VanDerWaalsContact O-N 3.15Å; T693-R696 WeakPolarHBondContact O-CB 3.26Å; T693-R696 PolarHBondContact O-N 3.25Å; T693-D697 VanDerWaalsContact O-CG 3.29Å; T693-D697 PolarHBondContact O-N 2.88Å
694	A	59.3	Low	69.8	Low	81 Å²	81	87.3 Å²	87.3	67%	0.669	45%	0.453	S	S	*	.	H	α-helix	trans	-54.2	-40.6	-173.4	0	0	0	0	0	114.3	G698	A694-G698 PolarHBondContact O-N 2.9Å
695	L	63.9	Low	70.4	Confident	117 Å²	117	92.3 Å²	92.3	61%	0.613	48%	0.479	S	S	*	.	H	α-helix	trans	-70.7	-40	179	-137.1	174.8	0	0	0	111.9	T693 L699	T693-L695 VanDerWaalsContact C-N 3.31Å; T693-L695 PolarHBondContact O-N 3.15Å; T693-L695 VanDerWaalsContact O-N 3.15Å; L695-L699 HydrophobicContact CD2-CD1 3.83Å; L695-L699 HydrophobicContact CD2-CG 4.17Å; L695-L699 WeakPolarHBondContact O-CB 3.47Å; L695-L699 WeakPolarHBondContact O-CD1 3.38Å; L695-L699 VanDerWaalsContact O-CG 3.26Å; L695-L699 WeakPolarHBondContact O-CG 3.33Å; L695-L699 PolarHBondContact O-N 3.02Å
696	R	69.6	Low	71.2	Confident	131 Å²	131	95.7 Å²	95.7	49%	0.494	50%	0.496	S	S	.	.	H	α-helix	trans	-63.6	-48.7	174.3	-179.4	-163.2	70.1	-156.4	-6.4	110.5	N692 T693 L699 L700	N692-R696 WeakPolarHBondContact O-CB 3.47Å; T693-R696 WeakPolarHBondContact O-CB 3.26Å; T693-R696 PolarHBondContact O-N 3.25Å; R696-L699 WeakPolarHBondContact O-CB 3.39Å; R696-L699 PolarHBondContact O-N 2.86Å; R696-L700 HydrophobicContact CG-CD1 4.33Å; R696-L700 WeakPolarHBondContact O-CG 3.48Å; R696-L700 PolarHBondContact O-N 3.01Å
697	D	70.5	Confident	72.3	Confident	61 Å²	61	95.1 Å²	95.1	33%	0.326	49%	0.491	S	S	.	.	H	α-helix	trans	-73.6	-33.6	-173.6	-59.7	-23.7	0	0	0	111.1	T693 L700 V701	T693-D697 VanDerWaalsContact O-CG 3.29Å; T693-D697 PolarHBondContact O-N 2.88Å; D697-L700 PolarHBondContact O-N 2.92Å; D697-V701 WeakPolarHBondContact O-CG2 3.4Å; D697-V701 PolarHBondContact O-N 2.95Å
698	G	77.5	Confident	73.4	Confident	42 Å²	42	96.9 Å²	96.9	43%	0.433	50%	0.503	S	S	.	.	H	α-helix	trans	-63.7	-41.9	167.5	0	0	0	0	0	113.4	A694 V701 F702	A694-G698 PolarHBondContact O-N 2.9Å; G698-V701 PolarHBondContact O-N 3.4Å; G698-F702 WeakPolarHBondContact O-CB 3.4Å; G698-F702 PolarHBondContact O-N 3.37Å
699	L	80.8	Confident	74.5	Confident	86 Å²	86	95.7 Å²	95.7	45%	0.45	51%	0.505	S	S	.	.	H	α-helix	trans	-63.2	-41.1	172.5	-78.2	165.9	0	0	0	111.8	L695 R696 F702 F703	L695-L699 HydrophobicContact CD2-CD1 3.83Å; L695-L699 HydrophobicContact CD2-CG 4.17Å; L695-L699 WeakPolarHBondContact O-CB 3.47Å; L695-L699 WeakPolarHBondContact O-CD1 3.38Å; L695-L699 VanDerWaalsContact O-CG 3.26Å; L695-L699 WeakPolarHBondContact O-CG 3.33Å; L695-L699 PolarHBondContact O-N 3.02Å; R696-L699 WeakPolarHBondContact O-CB 3.39Å; R696-L699 PolarHBondContact O-N 2.86Å; L699-F702 PolarHBondContact O-N 3.46Å; L699-F703 HydrophobicContact CD2-CD2 4.42Å; L699-F703 HydrophobicContact CD2-CE2 4.05Å; L699-F703 WeakPolarHBondContact O-CD2 3.28Å; L699-F703 PolarHBondContact O-N 3.45Å
700	L	84.2	Confident	76.1	Confident	81 Å²	81	95.3 Å²	95.3	42%	0.424	50%	0.503	S	S	.	.	H	α-helix	trans	-61.2	-47.1	174.9	-70	171.9	0	0	0	111.3	R696 D697 F702 F703 F704	R696-L700 HydrophobicContact CG-CD1 4.33Å; R696-L700 WeakPolarHBondContact O-CG 3.48Å; R696-L700 PolarHBondContact O-N 3.01Å; D697-L700 PolarHBondContact O-N 2.92Å; L700-F702 VanDerWaalsContact C-N 3.34Å; L700-F702 PolarHBondContact O-N 3.31Å; L700-F703 PolarHBondContact O-N 2.9Å; L700-F704 HydrophobicContact CB-CD2 4.44Å; L700-F704 HydrophobicContact CD2-CD2 3.94Å; L700-F704 HydrophobicContact CD2-CE2 3.65Å; L700-F704 WeakPolarHBondContact O-CB 3.48Å; L700-F704 WeakPolarHBondContact O-CD2 3.36Å; L700-F704 PolarHBondContact O-N 3.27Å
701	V	85.9	Confident	78	Confident	76 Å²	76	93.5 Å²	93.5	46%	0.461	50%	0.5	S	S	.	.	H	α-helix	trans	-61.5	-41.5	175.1	169.3	0	0	0	0	111.6	D697 G698 L705 I706	D697-V701 WeakPolarHBondContact O-CG2 3.4Å; D697-V701 PolarHBondContact O-N 2.95Å; G698-V701 PolarHBondContact O-N 3.4Å; V701-L705 HydrophobicContact CG1-CD1 4.37Å; V701-L705 WeakPolarHBondContact O-CB 3.4Å; V701-L705 PolarHBondContact O-N 2.93Å; V701-I706 PolarHBondContact O-N 3.27Å
702	F	86.9	Confident	79.7	Confident	98 Å²	98	89.3 Å²	89.3	43%	0.43	49%	0.485	S	S	.	.	I	π-helix	trans	-62.7	-49.7	178.2	-174.5	-97.3	0	0	0	112.1	G698 L699 L700 I706 V707	G698-F702 WeakPolarHBondContact O-CB 3.4Å; G698-F702 PolarHBondContact O-N 3.37Å; L699-F702 PolarHBondContact O-N 3.46Å; L700-F702 VanDerWaalsContact C-N 3.34Å; L700-F702 PolarHBondContact O-N 3.31Å; F702-I706 HydrophobicContact CD2-CB 4.22Å; F702-I706 HydrophobicContact CD2-CD1 4.18Å; F702-I706 HydrophobicContact CD2-CG2 4.23Å; F702-I706 HydrophobicContact CE2-CG2 4.23Å; F702-I706 PolarHBondContact O-N 2.9Å; F702-V707 HydrophobicContact CD1-CG2 3.99Å; F702-V707 HydrophobicContact CE1-CG2 3.65Å; F702-V707 HydrophobicContact CZ-CG2 4.13Å; F702-V707 WeakPolarHBondContact O-CG2 3.38Å; F702-V707 PolarHBondContact O-N 2.99Å
703	F	89.1	Confident	81.3	Confident	125 Å²	125	87.1 Å²	87.1	55%	0.548	48%	0.482	S	S	.	.	I	π-helix	trans	-77.4	-31.1	-177.1	-81.4	-72.3	0	0	0	114.5	L699 L700 V707 P708	L699-F703 HydrophobicContact CD2-CD2 4.42Å; L699-F703 HydrophobicContact CD2-CE2 4.05Å; L699-F703 WeakPolarHBondContact O-CD2 3.28Å; L699-F703 PolarHBondContact O-N 3.45Å; L700-F703 PolarHBondContact O-N 2.9Å; F703-V707 HydrophobicContact CD1-CG2 4.47Å; F703-P708 VanDerWaalsContact O-CD 3.28Å; F703-P708 WeakPolarHBondContact O-CD 3.42Å
704	F	87.5	Confident	82.8	Confident	152 Å²	152	87.7 Å²	87.7	67%	0.667	48%	0.481	S	S	*	.	I	π-helix	trans	-100	-15.6	-176.9	-69.9	-73.1	0	0	0	115.2	L700	L700-F704 HydrophobicContact CB-CD2 4.44Å; L700-F704 HydrophobicContact CD2-CD2 3.94Å; L700-F704 HydrophobicContact CD2-CE2 3.65Å; L700-F704 WeakPolarHBondContact O-CB 3.48Å; L700-F704 WeakPolarHBondContact O-CD2 3.36Å; L700-F704 PolarHBondContact O-N 3.27Å
705	L	86.6	Confident	84	Confident	105 Å²	105	89.8 Å²	89.8	55%	0.55	48%	0.475	S	S	.	.	I	π-helix	trans	-117.9	-55.2	173.3	-70.6	167.8	0	0	0	112.5	V701 L709	V701-L705 HydrophobicContact CG1-CD1 4.37Å; V701-L705 WeakPolarHBondContact O-CB 3.4Å; V701-L705 PolarHBondContact O-N 2.93Å; L705-L709 WeakPolarHBondContact O-CB 3.32Å; L705-L709 WeakPolarHBondContact O-CD1 3.21Å; L705-L709 WeakPolarHBondContact O-CG 3.46Å; L705-L709 PolarHBondContact O-N 2.85Å; L705-L709 VanDerWaalsContact O-N 3.08Å
706	I	88.4	Confident	84.9	Confident	72 Å²	72	89 Å²	89	37%	0.369	47%	0.471	S	S	.	.	I	π-helix	trans	-70.5	-48.6	-169.8	-59.8	179.1	0	0	0	111.7	V701 F702 L709 I710	V701-I706 PolarHBondContact O-N 3.27Å; F702-I706 HydrophobicContact CD2-CB 4.22Å; F702-I706 HydrophobicContact CD2-CD1 4.18Å; F702-I706 HydrophobicContact CD2-CG2 4.23Å; F702-I706 HydrophobicContact CE2-CG2 4.23Å; F702-I706 PolarHBondContact O-N 2.9Å; I706-L709 PolarHBondContact O-N 2.87Å; I706-I710 HydrophobicContact CG2-CD1 3.74Å; I706-I710 HydrophobicContact CG2-CG1 4.38Å; I706-I710 WeakPolarHBondContact O-CG1 3.3Å; I706-I710 PolarHBondContact O-N 3.22Å
707	V	91.6	Very high	85.6	Confident	49 Å²	49	89.3 Å²	89.3	30%	0.297	48%	0.475	S	S	.	.	H	α-helix	trans	-61	-47.4	178.8	169.9	0	0	0	0	112.2	F702 F703 L709 I710 V711	F702-V707 HydrophobicContact CD1-CG2 3.99Å; F702-V707 HydrophobicContact CE1-CG2 3.65Å; F702-V707 HydrophobicContact CZ-CG2 4.13Å; F702-V707 WeakPolarHBondContact O-CG2 3.38Å; F702-V707 PolarHBondContact O-N 2.99Å; F703-V707 HydrophobicContact CD1-CG2 4.47Å; V707-L709 PolarHBondContact O-N 3.48Å; V707-I710 PolarHBondContact O-N 2.85Å; V707-V711 HydrophobicContact CG1-CG2 4.49Å; V707-V711 WeakPolarHBondContact O-CG2 3.43Å; V707-V711 PolarHBondContact O-N 2.92Å
708	P	89.7	Confident	86.1	Confident	57 Å²	57	92.2 Å²	92.2	37%	0.37	49%	0.49	S	S	.	.	H	α-helix	trans	-58.5	-41.9	173.1	-29.1	37.5	0	0	0	113.8	F703 V711 C712	F703-P708 VanDerWaalsContact O-CD 3.28Å; F703-P708 WeakPolarHBondContact O-CD 3.42Å; P708-V711 PolarHBondContact O-N 3.25Å; P708-C712 WeakPolarHBondContact O-CB 3.39Å; P708-C712 PolarHBondContact O-N 2.85Å; P708-C712 PolarHBondContact O-SG 3.49Å; P708-C712 VanDerWaalsContact O-SG 3.38Å
709	L	89.8	Confident	86.2	Confident	116 Å²	116	93.6 Å²	93.6	61%	0.607	48%	0.484	S	S	*	.	H	α-helix	trans	-64.7	-39.6	177	-73.8	170.4	0	0	0	112.2	L705 I706 V707 C712 A713	L705-L709 WeakPolarHBondContact O-CB 3.32Å; L705-L709 WeakPolarHBondContact O-CD1 3.21Å; L705-L709 WeakPolarHBondContact O-CG 3.46Å; L705-L709 PolarHBondContact O-N 2.85Å; L705-L709 VanDerWaalsContact O-N 3.08Å; I706-L709 PolarHBondContact O-N 2.87Å; V707-L709 PolarHBondContact O-N 3.48Å; L709-C712 PolarHBondContact O-N 3.43Å; L709-A713 WeakPolarHBondContact O-CB 3.39Å; L709-A713 PolarHBondContact O-N 3.43Å
710	I	88.9	Confident	85.7	Confident	86 Å²	86	95.8 Å²	95.8	44%	0.441	49%	0.486	S	S	.	.	H	α-helix	trans	-65	-44.2	174.2	-69.9	170.9	0	0	0	110.8	I706 V707 C712 A713 I714	I706-I710 HydrophobicContact CG2-CD1 3.74Å; I706-I710 HydrophobicContact CG2-CG1 4.38Å; I706-I710 WeakPolarHBondContact O-CG1 3.3Å; I706-I710 PolarHBondContact O-N 3.22Å; V707-I710 PolarHBondContact O-N 2.85Å; I710-C712 PolarHBondContact O-N 3.08Å; I710-A713 PolarHBondContact O-N 3.32Å; I710-I714 HydrophobicContact CG2-CD1 3.69Å; I710-I714 HydrophobicContact CG2-CG1 4.37Å; I710-I714 WeakPolarHBondContact O-CB 3.41Å; I710-I714 VanDerWaalsContact O-CG1 3.3Å; I710-I714 WeakPolarHBondContact O-CG1 3.35Å; I710-I714 PolarHBondContact O-N 3.38Å
711	V	89.4	Confident	85	Confident	90 Å²	90	95.2 Å²	95.2	55%	0.545	48%	0.484	S	S	.	.	H	α-helix	trans	-62.6	-41.9	176.2	171	0	0	0	0	111.1	V707 P708 I714 F715	V707-V711 HydrophobicContact CG1-CG2 4.49Å; V707-V711 WeakPolarHBondContact O-CG2 3.43Å; V707-V711 PolarHBondContact O-N 2.92Å; P708-V711 PolarHBondContact O-N 3.25Å; V711-I714 PolarHBondContact O-N 2.84Å; V711-F715 VanDerWaalsContact O-CB 3.27Å; V711-F715 WeakPolarHBondContact O-CB 3.47Å; V711-F715 PolarHBondContact O-N 3.27Å
712	C	86.9	Confident	84	Confident	69 Å²	69	97.3 Å²	97.3	47%	0.466	49%	0.488	S	S	.	.	H	α-helix	trans	-63.5	-42.5	173.2	-74.7	0	0	0	0	112.4	P708 L709 I710 F715 I716	P708-C712 WeakPolarHBondContact O-CB 3.39Å; P708-C712 PolarHBondContact O-N 2.85Å; P708-C712 PolarHBondContact O-SG 3.49Å; P708-C712 VanDerWaalsContact O-SG 3.38Å; L709-C712 PolarHBondContact O-N 3.43Å; I710-C712 PolarHBondContact O-N 3.08Å; C712-F715 PolarHBondContact O-N 3.49Å; C712-I716 WeakPolarHBondContact O-CB 3.13Å; C712-I716 VanDerWaalsContact O-CG1 3.24Å; C712-I716 WeakPolarHBondContact O-CG1 3.04Å; C712-I716 PolarHBondContact O-N 3.41Å
713	A	85.1	Confident	82.8	Confident	57 Å²	57	96.5 Å²	96.5	47%	0.471	49%	0.488	S	S	.	.	H	α-helix	trans	-64.8	-43	177.1	0	0	0	0	0	112	L709 I710 I716 F717	L709-A713 WeakPolarHBondContact O-CB 3.39Å; L709-A713 PolarHBondContact O-N 3.43Å; I710-A713 PolarHBondContact O-N 3.32Å; A713-I716 PolarHBondContact O-N 3.22Å; A713-F717 WeakPolarHBondContact O-CB 3.33Å; A713-F717 PolarHBondContact O-N 3.37Å
714	I	86.6	Confident	81.4	Confident	90 Å²	90	98 Å²	98	46%	0.462	49%	0.49	S	S	.	.	H	α-helix	trans	-64.7	-41.5	174.3	-69.5	170.2	0	0	0	110.6	I710 V711 F717 I718	I710-I714 HydrophobicContact CG2-CD1 3.69Å; I710-I714 HydrophobicContact CG2-CG1 4.37Å; I710-I714 WeakPolarHBondContact O-CB 3.41Å; I710-I714 VanDerWaalsContact O-CG1 3.3Å; I710-I714 WeakPolarHBondContact O-CG1 3.35Å; I710-I714 PolarHBondContact O-N 3.38Å; V711-I714 PolarHBondContact O-N 2.84Å; I714-F717 PolarHBondContact O-N 2.85Å; I714-I718 HydrophobicContact CG2-CD1 3.66Å; I714-I718 HydrophobicContact CG2-CG1 4.28Å; I714-I718 WeakPolarHBondContact O-CB 3.41Å; I714-I718 WeakPolarHBondContact O-CG1 3.21Å; I714-I718 PolarHBondContact O-N 3.07Å
715	F	84.9	Confident	79.9	Confident	125 Å²	125	98.6 Å²	98.6	55%	0.548	49%	0.488	S	S	.	.	H	α-helix	trans	-61.4	-46.5	174.6	-178.5	-95.3	0	0	0	111.4	V711 C712 F717 I718 K719	V711-F715 VanDerWaalsContact O-CB 3.27Å; V711-F715 WeakPolarHBondContact O-CB 3.47Å; V711-F715 PolarHBondContact O-N 3.27Å; C712-F715 PolarHBondContact O-N 3.49Å; F715-F717 VanDerWaalsContact C-N 3.29Å; F715-F717 PolarHBondContact O-N 2.81Å; F715-I718 PolarHBondContact O-N 2.8Å; F715-K719 HydrophobicContact CD1-CG 4.22Å; F715-K719 HydrophobicContact CD2-CG 4.29Å; F715-K719 HydrophobicContact CE1-CG 3.94Å; F715-K719 HydrophobicContact CE2-CG 4.03Å; F715-K719 HydrophobicContact CG-CG 4.4Å; F715-K719 HydrophobicContact CZ-CG 3.85Å; F715-K719 WeakPolarHBondContact O-CB 3.27Å; F715-K719 VanDerWaalsContact O-CG 3.26Å; F715-K719 WeakPolarHBondContact O-CG 3.26Å; F715-K719 PolarHBondContact O-N 2.83Å
716	I	83.9	Confident	78.6	Confident	102 Å²	102	97.4 Å²	97.4	52%	0.523	49%	0.489	S	S	.	.	H	α-helix	trans	-62.5	-35.3	174.9	-69.8	164.8	0	0	0	111.3	C712 A713 K719 R720	C712-I716 WeakPolarHBondContact O-CB 3.13Å; C712-I716 VanDerWaalsContact O-CG1 3.24Å; C712-I716 WeakPolarHBondContact O-CG1 3.04Å; C712-I716 PolarHBondContact O-N 3.41Å; A713-I716 PolarHBondContact O-N 3.22Å; I716-K719 CarbonylContact O-C 3.46Å; I716-R720 WeakPolarHBondContact O-CA 3.33Å; I716-R720 WeakPolarHBondContact O-CB 3.43Å; I716-R720 PolarHBondContact O-N 2.84Å
717	F	82.8	Confident	77.1	Confident	136 Å²	136	103.7 Å²	103.7	60%	0.596	51%	0.509	S	S	*	.	H	α-helix	trans	-71.7	-47.4	177.5	-175.1	-94.3	0	0	0	112.7	A713 I714 F715 K719 R720	A713-F717 WeakPolarHBondContact O-CB 3.33Å; A713-F717 PolarHBondContact O-N 3.37Å; I714-F717 PolarHBondContact O-N 2.85Å; F715-F717 VanDerWaalsContact C-N 3.29Å; F715-F717 PolarHBondContact O-N 2.81Å; F717-K719 VanDerWaalsContact C-N 3.34Å; F717-R720 WeakPolarHBondContact O-CB 3.47Å; F717-R720 PolarHBondContact O-N 3.35Å
718	I	81.9	Confident	75.5	Confident	122 Å²	122	109.2 Å²	109.2	63%	0.626	53%	0.529	S	S	*	.	H	α-helix	trans	-64.7	-41	175.5	-67.5	170.9	0	0	0	110.3	I714 F715 R720	I714-I718 HydrophobicContact CG2-CD1 3.66Å; I714-I718 HydrophobicContact CG2-CG1 4.28Å; I714-I718 WeakPolarHBondContact O-CB 3.41Å; I714-I718 WeakPolarHBondContact O-CG1 3.21Å; I714-I718 PolarHBondContact O-N 3.07Å; F715-I718 PolarHBondContact O-N 2.8Å; I718-R720 VanDerWaalsContact C-N 3.25Å; I718-R720 PolarHBondContact O-N 3.43Å
719	K	78.8	Confident	73.6	Confident	71 Å²	71	116.5 Å²	116.5	31%	0.309	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-1.9	173.6	-64.8	-68.8	-178	173.2	0	113.3	F715 I716 F717 D721 Q722 L723	F715-K719 HydrophobicContact CD1-CG 4.22Å; F715-K719 HydrophobicContact CD2-CG 4.29Å; F715-K719 HydrophobicContact CE1-CG 3.94Å; F715-K719 HydrophobicContact CE2-CG 4.03Å; F715-K719 HydrophobicContact CG-CG 4.4Å; F715-K719 HydrophobicContact CZ-CG 3.85Å; F715-K719 WeakPolarHBondContact O-CB 3.27Å; F715-K719 VanDerWaalsContact O-CG 3.26Å; F715-K719 WeakPolarHBondContact O-CG 3.26Å; F715-K719 PolarHBondContact O-N 2.83Å; I716-K719 CarbonylContact O-C 3.46Å; F717-K719 VanDerWaalsContact C-N 3.34Å; K719-D721 VanDerWaalsContact C-N 3.26Å; K719-D721 PolarHBondContact O-N 3.36Å; K719-Q722 HydrophobicContact CD-CB 4.46Å; K719-Q722 CarbonylContact O-C 3.56Å; K719-Q722 WeakPolarHBondContact O-CA 3.24Å; K719-Q722 PolarHBondContact O-N 2.66Å; K719-L723 HydrophobicContact CB-CD1 3.8Å; K719-L723 HydrophobicContact CB-CG 4.05Å; K719-L723 WeakPolarHBondContact O-CB 3.42Å; K719-L723 WeakPolarHBondContact O-CG 3.17Å; K719-L723 PolarHBondContact O-N 2.8Å
720	R	72.1	Confident	71.5	Confident	133 Å²	133	120.6 Å²	120.6	50%	0.502	56%	0.562	S	S	.	*	H	α-helix	trans	-53	-47.8	-175.1	-174.6	179.3	71.9	177.1	1.9	110.6	I716 F717 I718 Q722 L723 W724	I716-R720 WeakPolarHBondContact O-CA 3.33Å; I716-R720 WeakPolarHBondContact O-CB 3.43Å; I716-R720 PolarHBondContact O-N 2.84Å; F717-R720 WeakPolarHBondContact O-CB 3.47Å; F717-R720 PolarHBondContact O-N 3.35Å; I718-R720 VanDerWaalsContact C-N 3.25Å; I718-R720 PolarHBondContact O-N 3.43Å; R720-Q722 VanDerWaalsContact C-N 3.29Å; R720-Q722 PolarHBondContact O-N 3.2Å; R720-L723 PolarHBondContact O-N 2.82Å; R720-W724 WeakPolarHBondContact O-CB 3.38Å; R720-W724 PolarHBondContact O-N 3.35Å
721	D	68	Low	69.1	Low	69 Å²	69	125.5 Å²	125.5	37%	0.369	58%	0.58	S	S	.	*	H	α-helix	trans	-70.2	-25.1	-178.8	-137.4	70.6	0	0	0	113.1	K719 R725	K719-D721 VanDerWaalsContact C-N 3.26Å; K719-D721 PolarHBondContact O-N 3.36Å; D721-R725 VanDerWaalsContact O-CB 3.23Å; D721-R725 WeakPolarHBondContact O-CB 2.99Å; D721-R725 WeakPolarHBondContact O-CD 3.49Å; D721-R725 WeakPolarHBondContact O-CG 3.11Å; D721-R725 PolarHBondContact O-N 2.78Å; D721-R725 PolarHBondContact O-NE 3.32Å; D721-R725 IonicContact OD2-CZ 3.13Å; D721-R725 IonicContact OD2-NE 2.8Å; D721-R725 PolarHBondContact OD2-NE 2.89Å; D721-R725 IonicContact OD2-NH2 2.66Å; D721-R725 PolarHBondContact OD2-NH2 3.4Å
722	Q	65.9	Low	66.5	Low	119 Å²	119	132.2 Å²	132.2	56%	0.556	60%	0.596	S	S	*	*	H	α-helix	trans	-81.7	-37.8	174.1	-63.3	-173.2	-15.4	0	0	111.9	K719 R720 S726	K719-Q722 HydrophobicContact CD-CB 4.46Å; K719-Q722 CarbonylContact O-C 3.56Å; K719-Q722 WeakPolarHBondContact O-CA 3.24Å; K719-Q722 PolarHBondContact O-N 2.66Å; R720-Q722 VanDerWaalsContact C-N 3.29Å; R720-Q722 PolarHBondContact O-N 3.2Å; Q722-S726 WeakPolarHBondContact O-CB 3.23Å; Q722-S726 PolarHBondContact O-N 3.09Å
723	L	61.2	Low	64.1	Low	81 Å²	81	133.4 Å²	133.4	42%	0.424	61%	0.605	S	S	.	*	H	α-helix	trans	-72.2	-40	177.6	-68.3	166.8	0	0	0	111.7	K719 R720 S726 Y727	K719-L723 HydrophobicContact CB-CD1 3.8Å; K719-L723 HydrophobicContact CB-CG 4.05Å; K719-L723 WeakPolarHBondContact O-CB 3.42Å; K719-L723 WeakPolarHBondContact O-CG 3.17Å; K719-L723 PolarHBondContact O-N 2.8Å; R720-L723 PolarHBondContact O-N 2.82Å; L723-S726 WeakPolarHBondContact O-CA 3.43Å; L723-S726 VanDerWaalsContact O-CB 3.3Å; L723-S726 WeakPolarHBondContact O-CB 3.25Å; L723-S726 PolarHBondContact O-N 3.4Å; L723-S726 VanDerWaalsContact O-N 3.1Å; L723-Y727 PolarHBondContact O-N 3.3Å
724	W	59.6	Low	61.7	Low	156 Å²	156	139 Å²	139	59%	0.591	62%	0.621	S	S	*	*	H	α-helix	trans	-70	-40.4	177.3	-150.1	20.1	0	0	0	110.9	R720 S726 Y727 F728	R720-W724 WeakPolarHBondContact O-CB 3.38Å; R720-W724 PolarHBondContact O-N 3.35Å; W724-S726 PolarHBondContact O-N 2.88Å; W724-Y727 PolarHBondContact O-N 3.02Å; W724-F728 AromaticContact CD1-CD2 3.86Å; W724-F728 AromaticContact CD1-CE2 3.89Å; W724-F728 AromaticContact NE1-CE2 3.72Å; W724-F728 PolarHBondContact O-N 3.1Å; W724-F728 VanDerWaalsContact O-N 3.09Å
725	R	56.8	Low	59.1	Low	166 Å²	166	140 Å²	140	63%	0.626	63%	0.632	S	S	*	*	H	α-helix	trans	-62.8	-24.2	167.5	-72.2	171.9	-160	-144.8	5.9	113.2	D721 R729	D721-R725 VanDerWaalsContact O-CB 3.23Å; D721-R725 WeakPolarHBondContact O-CB 2.99Å; D721-R725 WeakPolarHBondContact O-CD 3.49Å; D721-R725 WeakPolarHBondContact O-CG 3.11Å; D721-R725 PolarHBondContact O-N 2.78Å; D721-R725 PolarHBondContact O-NE 3.32Å; D721-R725 IonicContact OD2-CZ 3.13Å; D721-R725 IonicContact OD2-NE 2.8Å; D721-R725 PolarHBondContact OD2-NE 2.89Å; D721-R725 IonicContact OD2-NH2 2.66Å; D721-R725 PolarHBondContact OD2-NH2 3.4Å; R725-R729 VanDerWaalsContact O-CB 3.22Å; R725-R729 WeakPolarHBondContact O-CB 3.3Å; R725-R729 WeakPolarHBondContact O-CD 3.22Å; R725-R729 VanDerWaalsContact O-CG 3.25Å; R725-R729 WeakPolarHBondContact O-CG 3.47Å; R725-R729 PolarHBondContact O-N 3.33Å
726	S	59.2	Low	56.6	Low	80 Å²	80	143.6 Å²	143.6	56%	0.559	64%	0.643	S	S	*	*	H	α-helix	trans	-78.1	-50	173.6	-170.8	0	0	0	0	111.6	Q722 L723 W724 F728 R729	Q722-S726 WeakPolarHBondContact O-CB 3.23Å; Q722-S726 PolarHBondContact O-N 3.09Å; L723-S726 WeakPolarHBondContact O-CA 3.43Å; L723-S726 VanDerWaalsContact O-CB 3.3Å; L723-S726 WeakPolarHBondContact O-CB 3.25Å; L723-S726 PolarHBondContact O-N 3.4Å; L723-S726 VanDerWaalsContact O-N 3.1Å; W724-S726 PolarHBondContact O-N 2.88Å; S726-F728 VanDerWaalsContact C-N 3.3Å; S726-F728 PolarHBondContact O-N 3.49Å; S726-R729 PolarHBondContact O-N 3.1Å; S726-R729 VanDerWaalsContact O-N 3.1Å
727	Y	56.8	Low	54.3	Low	204 Å²	204	146.5 Å²	146.5	80%	0.8	65%	0.654	S	S	*	*	H	α-helix	trans	-61.4	-33.8	179.6	-105.7	-104.4	0	0	0	113.5	L723 W724	L723-Y727 PolarHBondContact O-N 3.3Å; W724-Y727 PolarHBondContact O-N 3.02Å
728	F	57.2	Low	51.9	Low	164 Å²	164	145.3 Å²	145.3	72%	0.719	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-2.4	176.1	-82	-84.4	0	0	0	115.1	W724 S726 K730	W724-F728 AromaticContact CD1-CD2 3.86Å; W724-F728 AromaticContact CD1-CE2 3.89Å; W724-F728 AromaticContact NE1-CE2 3.72Å; W724-F728 PolarHBondContact O-N 3.1Å; W724-F728 VanDerWaalsContact O-N 3.09Å; S726-F728 VanDerWaalsContact C-N 3.3Å; S726-F728 PolarHBondContact O-N 3.49Å; F728-K730 VanDerWaalsContact C-N 3.28Å; F728-K730 PolarHBondContact O-N 3.28Å
729	R	49	Very low	49.6	Very low	211 Å²	211	147 Å²	147	80%	0.796	67%	0.674	S	S	*	*			trans	-86.5	25.3	177.3	-97.9	-177.6	163.6	-171.5	-6	115.1	R725 S726	R725-R729 VanDerWaalsContact O-CB 3.22Å; R725-R729 WeakPolarHBondContact O-CB 3.3Å; R725-R729 WeakPolarHBondContact O-CD 3.22Å; R725-R729 VanDerWaalsContact O-CG 3.25Å; R725-R729 WeakPolarHBondContact O-CG 3.47Å; R725-R729 PolarHBondContact O-N 3.33Å; S726-R729 PolarHBondContact O-N 3.1Å; S726-R729 VanDerWaalsContact O-N 3.1Å
730	K	45.7	Very low	47.3	Very low	201 Å²	201	146.8 Å²	146.8	87%	0.874	69%	0.691	S	S	*	*			trans	-95.6	27.9	171.5	-143.6	172.6	-175.7	178.1	0	114.3	F728	F728-K730 VanDerWaalsContact C-N 3.28Å; F728-K730 PolarHBondContact O-N 3.28Å
731	K	39.7	Very low	45.5	Very low	189 Å²	189	149.5 Å²	149.5	82%	0.822	71%	0.706	S	S	*	*	S	Bend	trans	-136.8	129.5	164.3	-79.3	-174.3	174.2	179.8	0	109.5
732	R	35	Very low	43.7	Very low	232 Å²	232	152.8 Å²	152.8	88%	0.875	72%	0.724	S	S	*	*			trans	59.4	108.7	-176.1	-103	168.8	173.4	166.5	-2.3	113.6
733	S	35.6	Very low	42.1	Very low	94 Å²	94	156 Å²	156	66%	0.657	74%	0.739	S	S	*	*				63.4	134.5	50.7	97.4	0	0	0	0	112.3
734	Q	34.8	Very low	40.7	Very low	174 Å²	174	157.2 Å²	157.2	81%	0.813	76%	0.761	S	S	*	*			cis	-167.9	165.5	-0.2	-145.1	166.5	-13.1	0	0	110.9
735	T	32	Very low	39.2	Very low	112 Å²	112	157.2 Å²	157.2	69%	0.687	77%	0.772	S	S	*	*			trans	78	150.5	154.4	-15.4	0	0	0	0	122
736	Y	33.3	Very low	39	Very low	200 Å²	200	154.3 Å²	154.3	78%	0.784	78%	0.775	S	S	*	*			trans	67.5	143.4	166	-77	-85.3	0	0	0	121.5
737	E	34.8	Very low	37.5	Very low	162 Å²	162	154.8 Å²	154.8	76%	0.757	78%	0.778	S	S	*	*			cis	-166.8	167.7	-45.4	-164.5	160.3	-137.7	0	0	109.8
738	S	31.6	Very low	36.4	Very low	111 Å²	111	156 Å²	156	78%	0.776	78%	0.782	S	S	*	*			trans	70.1	113.1	167	-154.4	0	0	0	0	116
739	D	33.6	Very low	35.4	Very low	159 Å²	159	157 Å²	157	85%	0.85	79%	0.788	S	S	*	*			cis	94.4	136.3	42.1	-167.9	28.9	0	0	0	113.8
740	G	31.8	Very low	35.3	Very low	65 Å²	65	152 Å²	152	67%	0.67	78%	0.783	S	S	*	*			trans	164.3	49.8	-169.4	0	0	0	0	0	120.8
741	K	33.9	Very low	34.6	Very low	190 Å²	190	148.9 Å²	148.9	83%	0.826	78%	0.781	S	S	*	*			trans	50.2	108.1	149.9	-65.5	177.8	178.9	173.7	0	122.3
742	N	31.2	Very low	34.6	Very low	139 Å²	139	145 Å²	145	74%	0.743	78%	0.777	S	S	*	*				43.1	130.1	113.1	-67.2	-5.4	0	0	0	124.1
743	Q	32.3	Very low	34.8	Very low	186 Å²	186	140.6 Å²	140.6	87%	0.869	78%	0.776	S	S	*	*			trans	61.9	117.6	134.5	-65.1	176.2	-18.7	0	0	121
744	A	31.1	Very low	35.7	Very low	106 Å²	106	141.1 Å²	141.1	88%	0.876	78%	0.777	S	S	*	*				-170.1	157.3	102.1	0	0	0	0	0	112.9
745	N	27.7	Very low	35.8	Very low	157 Å²	157	142.6 Å²	142.6	84%	0.84	78%	0.775	S	S	*	*			trans	-141.2	166.2	172.6	-142.3	3.5	0	0	0	105.5
746	P	53.2	Low	36	Very low	105 Å²	105	144 Å²	144	68%	0.682	77%	0.773	S	S	*	*			cis	-133.6	-158.9	-14.5	38.9	-19.2	0	0	0	112.4
747	S	27.7	Very low	36.2	Very low	89 Å²	89	140.2 Å²	140.2	62%	0.622	77%	0.771	S	S	*	*			trans	119.9	126.2	132.1	-150.4	0	0	0	0	119.8
748	R	33.4	Very low	36.4	Very low	231 Å²	231	137.2 Å²	137.2	87%	0.872	77%	0.768	S	S	*	*			trans	55.5	110.6	146.2	-67.4	170.2	-174.8	174.8	0.7	121.9
749	Q	35.7	Very low	37.6	Very low	184 Å²	184	137.5 Å²	137.5	86%	0.86	77%	0.767	S	S	*	*				2.9	159	117.7	-90.9	-175.8	-2.2	0	0	119.6
750	P	46.3	Very low	37.6	Very low	105 Å²	105	136 Å²	136	68%	0.682	76%	0.763	S	S	*	*			cis	-146.8	-163.3	17.5	40.6	-18.1	0	0	0	117.3
751	V	31.7	Very low	37.9	Very low	137 Å²	137	139.1 Å²	139.1	83%	0.83	77%	0.77	S	S	*	*			trans	78	148.9	155.8	173.7	0	0	0	0	119.7
752	S	40	Very low	39	Very low	107 Å²	107	135.3 Å²	135.3	75%	0.748	76%	0.764	S	S	*	*			trans	-134	151.3	-174.6	53.9	0	0	0	0	113
753	V	38	Very low	40	Very low	140 Å²	140	134 Å²	134	85%	0.848	76%	0.764	S	S	*	*			trans	-156.7	164.7	171.2	-108.6	0	0	0	0	110.4
754	P	54.9	Low	40.1	Very low	104 Å²	104	134.9 Å²	134.9	68%	0.675	76%	0.759	S	S	*	*				-142.4	-152.4	-123.8	41.6	-18.6	0	0	0	115.9
755	R	37.7	Very low	40.2	Very low	205 Å²	205	137 Å²	137	77%	0.774	75%	0.75	S	S	*	*			trans	81.4	158.2	157.9	-81.4	163.9	178.4	-161.9	5.7	117
756	H	35.9	Very low	40.6	Very low	141 Å²	141	135.7 Å²	135.7	65%	0.653	75%	0.748	S	S	*	*			cis	-154.8	153.9	18.9	-120.6	-42.7	0	0	0	114.4
757	V	36.9	Very low	40.9	Very low	121 Å²	121	135.7 Å²	135.7	73%	0.733	75%	0.748	S	S	*	*			trans	71.8	143.8	141.3	164.9	0	0	0	0	122.4
758	S	39.7	Very low	41.2	Very low	99 Å²	99	138.4 Å²	138.4	69%	0.692	75%	0.754	S	S	*	*			cis	-159.7	-143.1	-29.5	-70	0	0	0	0	110.6
759	P	56.5	Low	41.4	Very low	118 Å²	118	138.2 Å²	138.2	77%	0.766	76%	0.755	S	S	*	*			trans	-134.7	-167.9	-131.8	40.4	-15.5	0	0	0	117.3
760	V	34.3	Very low	41.4	Very low	126 Å²	126	133.6 Å²	133.6	76%	0.764	75%	0.748	S	S	*	*			trans	163.1	110.1	130.9	158	0	0	0	0	114.4
761	T	36.8	Very low	41	Very low	132 Å²	132	136 Å²	136	81%	0.81	76%	0.755	S	S	*	*			trans	21.2	164.4	140.2	25.4	0	0	0	0	126.6
762	P	57.6	Low	41.1	Very low	109 Å²	109	141.2 Å²	141.2	71%	0.708	76%	0.76	S	S	*	*			trans	-118.8	-165.9	-162.8	46.4	-33.1	0	0	0	115.2
763	P	51.8	Low	41	Very low	113 Å²	113	145.8 Å²	145.8	73%	0.734	77%	0.767	S	S	*	*				-162.6	162.2	93.2	42.9	-21.5	0	0	0	121.7
764	R	36.1	Very low	41.4	Very low	204 Å²	204	145.1 Å²	145.1	77%	0.77	77%	0.765	S	S	*	*			trans	45.9	134.2	138.1	-66.3	175.9	86.4	137.4	6.3	126.3
765	E	32.9	Very low	40.5	Very low	149 Å²	149	146.5 Å²	146.5	70%	0.696	77%	0.771	S	S	*	*			trans	99.4	171.4	130.5	-79.9	161.5	171.4	0	0	124.3
766	V	35.5	Very low	41	Very low	131 Å²	131	141.9 Å²	141.9	79%	0.794	77%	0.768	S	S	*	*			trans	-134.8	-169.8	-145	-119.7	0	0	0	0	111.6
767	P	58.9	Low	41	Very low	104 Å²	104	140.8 Å²	140.8	68%	0.675	77%	0.772	S	S	*	*			cis	-133.8	-157.8	-28.7	27.9	-2.6	0	0	0	114
768	I	34	Very low	41.2	Very low	147 Å²	147	146.2 Å²	146.2	75%	0.754	78%	0.781	S	S	*	*			trans	117.1	111.2	146.7	-60.2	174	0	0	0	121.5
769	Y	37.8	Very low	40.8	Very low	227 Å²	227	146.4 Å²	146.4	89%	0.89	79%	0.788	S	S	*	*			trans	42	140.7	141	-87	-91.4	0	0	0	129.3
770	A	35	Very low	40	Very low	87 Å²	87	145.6 Å²	145.6	72%	0.719	79%	0.791	S	S	*	*			trans	103.5	104.7	130.3	0	0	0	0	0	125.2
771	N	38.4	Very low	39.9	Very low	154 Å²	154	149.6 Å²	149.6	82%	0.824	80%	0.798	S	S	*	*			trans	16.6	133.2	140.5	-57.8	-11.3	0	0	0	124.5
772	R	34	Very low	39.7	Very low	248 Å²	248	151.8 Å²	151.8	94%	0.936	80%	0.8	S	S	*	*				178.5	165.9	108.4	-96.6	174.1	179.7	-177.8	0.7	115.7
773	F	38.1	Very low	39.6	Very low	202 Å²	202	151.9 Å²	151.9	89%	0.886	80%	0.8	S	S	*	*			trans	-81	172.1	-179.4	-76.5	-81.1	0	0	0	113.7
774	P	46.8	Very low	38.7	Very low	126 Å²	126	154.6 Å²	154.6	82%	0.818	80%	0.803	S	S	*	*			cis	-155.1	-159.9	46.4	44.9	-20.2	0	0	0	119.9
775	V	36.6	Very low	38.5	Very low	133 Å²	133	153 Å²	153	81%	0.806	81%	0.805	S	S	*	*			trans	-91.5	171.3	-174.1	-119.9	0	0	0	0	113.9
776	P	47.7	Very low	39	Very low	108 Å²	108	155.9 Å²	155.9	70%	0.701	82%	0.815	S	S	*	*				-164.6	165.2	63.8	46.3	-22.9	0	0	0	123.3
777	T	35.4	Very low	39.3	Very low	119 Å²	119	155.5 Å²	155.5	73%	0.73	82%	0.815	S	S	*	*			trans	48.3	131	140.1	59.3	0	0	0	0	128.4
778	Y	41.2	Very low	38.3	Very low	234 Å²	234	156.3 Å²	156.3	92%	0.918	82%	0.824	S	S	*	*			trans	30	145.7	131.3	-73.7	-82.1	0	0	0	126.5
779	A	31.9	Very low	38.7	Very low	103 Å²	103	160.7 Å²	160.7	85%	0.851	83%	0.83	S	S	*	*			trans	-154.5	164	152.8	0	0	0	0	0	112.5
780	A	39.2	Very low	39.3	Very low	101 Å²	101	154.9 Å²	154.9	84%	0.835	82%	0.821	S	S	*	*			trans	-156.9	163.1	-177.5	0	0	0	0	0	115
781	K	32.7	Very low	40.1	Very low	210 Å²	210	156.2 Å²	156.2	91%	0.913	82%	0.822	S	S	*	*			trans	-165	177.6	163.6	-114.7	166.6	-173.7	178.3	0	115.2
782	Q	32.6	Very low	40.5	Very low	179 Å²	179	154.3 Å²	154.3	84%	0.836	82%	0.818	S	S	*	*			trans	-124.2	-159.8	-158.1	-52.3	169.9	-68.2	0	0	113
783	P	54.3	Low	41	Very low	111 Å²	111	148.7 Å²	148.7	72%	0.721	81%	0.814	S	S	*	*				-129.1	-160.9	-54.7	31.1	-9.8	0	0	0	114.1
784	Q	33	Very low	41.1	Very low	170 Å²	170	148 Å²	148	79%	0.794	81%	0.813	S	S	*	*			trans	95.1	148	172.5	-58.6	-172.9	-8.7	0	0	115.7
785	Q	33.3	Very low	41	Very low	171 Å²	171	147.4 Å²	147.4	80%	0.799	81%	0.809	S	S	*	*			cis	-153.7	166.8	-6.3	-126.8	176.5	3.9	0	0	110.5
786	F	42.4	Very low	40.9	Very low	208 Å²	208	151.1 Å²	151.1	91%	0.912	82%	0.815	S	S	*	*			trans	-99.5	147.5	179.2	-82.5	-82.9	0	0	0	114.3
787	P	42.4	Very low	40.5	Very low	123 Å²	123	152.5 Å²	152.5	80%	0.799	82%	0.821	S	S	*	*			trans	-113.5	171.7	150.9	4.9	17.5	0	0	0	113.8
788	S	38.8	Very low	40.5	Very low	122 Å²	122	152 Å²	152	85%	0.853	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-92.9	161	-158.8	-51.7	0	0	0	0	117.5
789	R	41.4	Very low	40.2	Very low	238 Å²	238	144.8 Å²	144.8	90%	0.898	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-79.2	136.2	176.5	-165	-164.2	-164	-167.1	6.4	112.9
790	P	51.3	Low	40.3	Very low	105 Å²	105	149.3 Å²	149.3	68%	0.682	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-73.9	156.1	166.7	-16.4	31.5	0	0	0	113.5
791	P	50.1	Low	40	Very low	115 Å²	115	147.7 Å²	147.7	75%	0.747	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-79.4	158.3	175.2	33.3	-35.5	0	0	0	113.1
792	P	47.6	Very low	40.1	Very low	115 Å²	115	145.9 Å²	145.9	75%	0.747	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-80.6	143	179.4	32.6	-34.7	0	0	0	112.9
793	P	44.4	Very low	40.2	Very low	130 Å²	130	145.1 Å²	145.1	84%	0.844	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-69	138.4	166.5	-17.2	31.6	0	0	0	111.9
794	Q	40.7	Very low	39.3	Very low	186 Å²	186	147.4 Å²	147.4	87%	0.869	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-88.2	161.1	171.1	-98.4	-171.2	-7.5	0	0	112.2
795	P	45	Very low	39.7	Very low	114 Å²	114	144.8 Å²	144.8	74%	0.74	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-76	149.7	-163.3	30	-36.6	0	0	0	114.1
796	K	33.3	Very low	40	Very low	211 Å²	211	141.2 Å²	141.2	92%	0.917	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-88.2	126.9	163.2	-74.2	-174	175.1	-178	0	110.2
797	V	40.2	Very low	39.7	Very low	137 Å²	137	142.8 Å²	142.8	83%	0.83	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-101.4	171.8	165.3	177.8	0	0	0	0	108
798	S	35.3	Very low	39.5	Very low	108 Å²	108	142.6 Å²	142.6	76%	0.755	81%	0.805	S	S	*	*			trans	89.6	136.6	177	-138.4	0	0	0	0	114.3
799	S	34.2	Very low	39.6	Very low	83 Å²	83	141.1 Å²	141.1	58%	0.58	80%	0.8	S	S	*	*			cis	-178	141.4	-16.6	41.6	0	0	0	0	109.4
800	Q	34.4	Very low	39.7	Very low	198 Å²	198	135.8 Å²	135.8	93%	0.925	80%	0.796	S	S	*	*			trans	61.5	143.4	167.7	-61.2	163.1	-29.4	0	0	114.6
801	G	33.6	Very low	39.1	Very low	67 Å²	67	135 Å²	135	69%	0.691	80%	0.799	S	S	*	*			cis	134	104.6	3.1	0	0	0	0	0	109.5
802	N	33	Very low	38.9	Very low	173 Å²	173	135 Å²	135	93%	0.925	80%	0.799	S	S	*	*			trans	-148.3	130.8	166.3	-102.8	-26.5	0	0	0	109.5
803	L	35.7	Very low	38.5	Very low	162 Å²	162	135.3 Å²	135.3	85%	0.848	80%	0.8	S	S	*	*			trans	-103.7	-176.7	177.2	-81.1	151.3	0	0	0	109.7
804	I	35.9	Very low	38.4	Very low	159 Å²	159	137 Å²	137	82%	0.815	80%	0.801	S	S	*	*			trans	86.6	130	159.3	-49.5	176.1	0	0	0	115
805	P	41	Very low	38.2	Very low	115 Å²	115	138.4 Å²	138.4	75%	0.747	80%	0.8	S	S	*	*			cis	-126.2	168.3	-20.3	36.5	-20.7	0	0	0	114.2
806	A	38.9	Very low	37.7	Very low	96 Å²	96	138.3 Å²	138.3	79%	0.793	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-75.4	149.9	162.1	0	0	0	0	0	111.4
807	R	36.5	Very low	37.8	Very low	241 Å²	241	132.6 Å²	132.6	91%	0.909	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-91.1	136.3	174.4	-157.9	179.7	-162	-172.6	5.6	109.8
808	P	38.6	Very low	37.9	Very low	120 Å²	120	133.9 Å²	133.9	78%	0.779	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-63.1	148.9	177.6	-23	34	0	0	0	113
809	A	40.3	Very low	38.1	Very low	91 Å²	91	138.6 Å²	138.6	75%	0.752	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-73.2	149.6	170.6	0	0	0	0	0	111.3
810	P	43.3	Very low	38.3	Very low	125 Å²	125	141.4 Å²	141.4	81%	0.812	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-64.9	148.8	172.4	-18.9	32.3	0	0	0	112.3
811	A	39.3	Very low	38.5	Very low	90 Å²	90	138.4 Å²	138.4	74%	0.744	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-73.2	145.8	170.4	0	0	0	0	0	111.2
812	P	45.8	Very low	38.7	Very low	115 Å²	115	142.3 Å²	142.3	75%	0.747	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-70.2	143.7	176.7	29.5	-34.8	0	0	0	111.5
813	P	39.8	Very low	39.1	Very low	120 Å²	120	140.5 Å²	140.5	78%	0.779	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-72.6	136.8	178.3	29.4	-34.1	0	0	0	112.1
814	L	41.3	Very low	39.3	Very low	165 Å²	165	139.2 Å²	139.2	86%	0.864	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-89.2	116.8	173.2	-76.1	164	0	0	0	110.8
815	Y	36.2	Very low	39.5	Very low	216 Å²	216	137.9 Å²	137.9	85%	0.847	82%	0.821	S	S	*	*			trans	-131.9	109.8	152.9	-80.8	-88.7	0	0	0	106.7
816	S	34.5	Very low	39.4	Very low	112 Å²	112	139.5 Å²	139.5	78%	0.783	83%	0.827	S	S	*	*				77.7	111.5	67	-167.8	0	0	0	0	111.5
817	S	36.9	Very low	39.4	Very low	92 Å²	92	142.8 Å²	142.8	64%	0.643	83%	0.829	S	S	*	*			trans	-90.8	159.4	-175.5	54.5	0	0	0	0	113.1
818	L	40.5	Very low	39.7	Very low	164 Å²	164	134.7 Å²	134.7	86%	0.859	82%	0.823	S	S	*	*			trans	69.6	135.1	169.8	-54.9	156.4	0	0	0	113.1
819	T	39.5	Very low	39.8	Very low	206 Å²	206	136 Å²	136	100%	1.264	83%	0.827	S	S	*	*			cis	-120.5	0	23.8	51.7	0	0	0	0	114.7

Retrieved 819 of 819 residues in 419.1 ms (Link to these results)

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